data_18388 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18388 _Entry.Title ; Solution structure, dynamics and binding studies of CtCBM11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-11 _Entry.Accession_date 2012-04-11 _Entry.Last_release_date 2012-04-18 _Entry.Original_release_date 2012-04-18 _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 . _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 Aldino Viegas . . . . 18388 2 Eurico Cabrita . J. . . 18388 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' . 18388 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C. thermocellum' . 18388 Cellulosome . 18388 CtCBM11 . 18388 Dynamics . 18388 NMR . 18388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18388 heteronucl_NOEs 1 18388 heteronucl_T1_relaxation 1 18388 heteronucl_T2_relaxation 1 18388 order_parameters 1 18388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 689 18388 '15N chemical shifts' 176 18388 '1H chemical shifts' 1093 18388 'T1 relaxation values' 156 18388 'T2 relaxation values' 156 18388 'heteronuclear NOE values' 156 18388 'order parameters' 156 18388 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-04-16 2012-04-11 update BMRB 'update entry citation' 18388 1 . . 2013-02-05 2012-04-11 original author 'original release' 18388 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18389 'at 50 C' 18388 PDB 2LRO 'BMRB Entry Tracking System' 18388 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18388 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23356867 _Citation.Full_citation . _Citation.Title ; Solution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 451 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 289 _Citation.Page_last 300 _Citation.Year 2013 _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 Aldino Viegas . . . . 18388 1 2 Joao Sardinha . . . . 18388 1 3 Filipe Freire . . . . 18388 1 4 Daniel Duarte . F. . . 18388 1 5 Ana Carvalho . L. . . 18388 1 6 'Carlos M G A' Fontes . . . . 18388 1 7 Maria Romao . J. . . 18388 1 8 Anjos Macedo . L. . . 18388 1 9 Eurico Cabrita . J. . . 18388 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18388 _Assembly.ID 1 _Assembly.Name CtCBM11 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CtCBM11 1 $CtCBM11 A . yes native no no . . . 18388 1 2 'CALCIUM ION_1' 2 $entity_CA B . no native no no . . . 18388 1 3 'CALCIUM ION_2' 2 $entity_CA C . no native no no . . . 18388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CtCBM11 _Entity.Sf_category entity _Entity.Sf_framecode CtCBM11 _Entity.Entry_ID 18388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CtCBM11 _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 ; MASAVGEKMLDDFEGVLNWG SYSGEGAKVSTKIVSGKTGN GMEVSYTGTTDGYWGTVYSL PDGDWSKWLKISFDIKSVDG SANEIRFMIAEKSINGVGDG EHWVYSITPDSSWKTIEIPF SSFRRRLDYQPPGQDMSGTL DLDNIDSIHFMYANNKSGKF VVDNIKLIGALE ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18963.230 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18388 1 2 . ALA . 18388 1 3 . SER . 18388 1 4 . ALA . 18388 1 5 . VAL . 18388 1 6 . GLY . 18388 1 7 . GLU . 18388 1 8 . LYS . 18388 1 9 . MET . 18388 1 10 . LEU . 18388 1 11 . ASP . 18388 1 12 . ASP . 18388 1 13 . PHE . 18388 1 14 . GLU . 18388 1 15 . GLY . 18388 1 16 . VAL . 18388 1 17 . LEU . 18388 1 18 . ASN . 18388 1 19 . TRP . 18388 1 20 . GLY . 18388 1 21 . SER . 18388 1 22 . TYR . 18388 1 23 . SER . 18388 1 24 . GLY . 18388 1 25 . GLU . 18388 1 26 . GLY . 18388 1 27 . ALA . 18388 1 28 . LYS . 18388 1 29 . VAL . 18388 1 30 . SER . 18388 1 31 . THR . 18388 1 32 . LYS . 18388 1 33 . ILE . 18388 1 34 . VAL . 18388 1 35 . SER . 18388 1 36 . GLY . 18388 1 37 . LYS . 18388 1 38 . THR . 18388 1 39 . GLY . 18388 1 40 . ASN . 18388 1 41 . GLY . 18388 1 42 . MET . 18388 1 43 . GLU . 18388 1 44 . VAL . 18388 1 45 . SER . 18388 1 46 . TYR . 18388 1 47 . THR . 18388 1 48 . GLY . 18388 1 49 . THR . 18388 1 50 . THR . 18388 1 51 . ASP . 18388 1 52 . GLY . 18388 1 53 . TYR . 18388 1 54 . TRP . 18388 1 55 . GLY . 18388 1 56 . THR . 18388 1 57 . VAL . 18388 1 58 . TYR . 18388 1 59 . SER . 18388 1 60 . LEU . 18388 1 61 . PRO . 18388 1 62 . ASP . 18388 1 63 . GLY . 18388 1 64 . ASP . 18388 1 65 . TRP . 18388 1 66 . SER . 18388 1 67 . LYS . 18388 1 68 . TRP . 18388 1 69 . LEU . 18388 1 70 . LYS . 18388 1 71 . ILE . 18388 1 72 . SER . 18388 1 73 . PHE . 18388 1 74 . ASP . 18388 1 75 . ILE . 18388 1 76 . LYS . 18388 1 77 . SER . 18388 1 78 . VAL . 18388 1 79 . ASP . 18388 1 80 . GLY . 18388 1 81 . SER . 18388 1 82 . ALA . 18388 1 83 . ASN . 18388 1 84 . GLU . 18388 1 85 . ILE . 18388 1 86 . ARG . 18388 1 87 . PHE . 18388 1 88 . MET . 18388 1 89 . ILE . 18388 1 90 . ALA . 18388 1 91 . GLU . 18388 1 92 . LYS . 18388 1 93 . SER . 18388 1 94 . ILE . 18388 1 95 . ASN . 18388 1 96 . GLY . 18388 1 97 . VAL . 18388 1 98 . GLY . 18388 1 99 . ASP . 18388 1 100 . GLY . 18388 1 101 . GLU . 18388 1 102 . HIS . 18388 1 103 . TRP . 18388 1 104 . VAL . 18388 1 105 . TYR . 18388 1 106 . SER . 18388 1 107 . ILE . 18388 1 108 . THR . 18388 1 109 . PRO . 18388 1 110 . ASP . 18388 1 111 . SER . 18388 1 112 . SER . 18388 1 113 . TRP . 18388 1 114 . LYS . 18388 1 115 . THR . 18388 1 116 . ILE . 18388 1 117 . GLU . 18388 1 118 . ILE . 18388 1 119 . PRO . 18388 1 120 . PHE . 18388 1 121 . SER . 18388 1 122 . SER . 18388 1 123 . PHE . 18388 1 124 . ARG . 18388 1 125 . ARG . 18388 1 126 . ARG . 18388 1 127 . LEU . 18388 1 128 . ASP . 18388 1 129 . TYR . 18388 1 130 . GLN . 18388 1 131 . PRO . 18388 1 132 . PRO . 18388 1 133 . GLY . 18388 1 134 . GLN . 18388 1 135 . ASP . 18388 1 136 . MET . 18388 1 137 . SER . 18388 1 138 . GLY . 18388 1 139 . THR . 18388 1 140 . LEU . 18388 1 141 . ASP . 18388 1 142 . LEU . 18388 1 143 . ASP . 18388 1 144 . ASN . 18388 1 145 . ILE . 18388 1 146 . ASP . 18388 1 147 . SER . 18388 1 148 . ILE . 18388 1 149 . HIS . 18388 1 150 . PHE . 18388 1 151 . MET . 18388 1 152 . TYR . 18388 1 153 . ALA . 18388 1 154 . ASN . 18388 1 155 . ASN . 18388 1 156 . LYS . 18388 1 157 . SER . 18388 1 158 . GLY . 18388 1 159 . LYS . 18388 1 160 . PHE . 18388 1 161 . VAL . 18388 1 162 . VAL . 18388 1 163 . ASP . 18388 1 164 . ASN . 18388 1 165 . ILE . 18388 1 166 . LYS . 18388 1 167 . LEU . 18388 1 168 . ILE . 18388 1 169 . GLY . 18388 1 170 . ALA . 18388 1 171 . LEU . 18388 1 172 . GLU . 18388 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18388 1 . ALA 2 2 18388 1 . SER 3 3 18388 1 . ALA 4 4 18388 1 . VAL 5 5 18388 1 . GLY 6 6 18388 1 . GLU 7 7 18388 1 . LYS 8 8 18388 1 . MET 9 9 18388 1 . LEU 10 10 18388 1 . ASP 11 11 18388 1 . ASP 12 12 18388 1 . PHE 13 13 18388 1 . GLU 14 14 18388 1 . GLY 15 15 18388 1 . VAL 16 16 18388 1 . LEU 17 17 18388 1 . ASN 18 18 18388 1 . TRP 19 19 18388 1 . GLY 20 20 18388 1 . SER 21 21 18388 1 . TYR 22 22 18388 1 . SER 23 23 18388 1 . GLY 24 24 18388 1 . GLU 25 25 18388 1 . GLY 26 26 18388 1 . ALA 27 27 18388 1 . LYS 28 28 18388 1 . VAL 29 29 18388 1 . SER 30 30 18388 1 . THR 31 31 18388 1 . LYS 32 32 18388 1 . ILE 33 33 18388 1 . VAL 34 34 18388 1 . SER 35 35 18388 1 . GLY 36 36 18388 1 . LYS 37 37 18388 1 . THR 38 38 18388 1 . GLY 39 39 18388 1 . ASN 40 40 18388 1 . GLY 41 41 18388 1 . MET 42 42 18388 1 . GLU 43 43 18388 1 . VAL 44 44 18388 1 . SER 45 45 18388 1 . TYR 46 46 18388 1 . THR 47 47 18388 1 . GLY 48 48 18388 1 . THR 49 49 18388 1 . THR 50 50 18388 1 . ASP 51 51 18388 1 . GLY 52 52 18388 1 . TYR 53 53 18388 1 . TRP 54 54 18388 1 . GLY 55 55 18388 1 . THR 56 56 18388 1 . VAL 57 57 18388 1 . TYR 58 58 18388 1 . SER 59 59 18388 1 . LEU 60 60 18388 1 . PRO 61 61 18388 1 . ASP 62 62 18388 1 . GLY 63 63 18388 1 . ASP 64 64 18388 1 . TRP 65 65 18388 1 . SER 66 66 18388 1 . LYS 67 67 18388 1 . TRP 68 68 18388 1 . LEU 69 69 18388 1 . LYS 70 70 18388 1 . ILE 71 71 18388 1 . SER 72 72 18388 1 . PHE 73 73 18388 1 . ASP 74 74 18388 1 . ILE 75 75 18388 1 . LYS 76 76 18388 1 . SER 77 77 18388 1 . VAL 78 78 18388 1 . ASP 79 79 18388 1 . GLY 80 80 18388 1 . SER 81 81 18388 1 . ALA 82 82 18388 1 . ASN 83 83 18388 1 . GLU 84 84 18388 1 . ILE 85 85 18388 1 . ARG 86 86 18388 1 . PHE 87 87 18388 1 . MET 88 88 18388 1 . ILE 89 89 18388 1 . ALA 90 90 18388 1 . GLU 91 91 18388 1 . LYS 92 92 18388 1 . SER 93 93 18388 1 . ILE 94 94 18388 1 . ASN 95 95 18388 1 . GLY 96 96 18388 1 . VAL 97 97 18388 1 . GLY 98 98 18388 1 . ASP 99 99 18388 1 . GLY 100 100 18388 1 . GLU 101 101 18388 1 . HIS 102 102 18388 1 . TRP 103 103 18388 1 . VAL 104 104 18388 1 . TYR 105 105 18388 1 . SER 106 106 18388 1 . ILE 107 107 18388 1 . THR 108 108 18388 1 . PRO 109 109 18388 1 . ASP 110 110 18388 1 . SER 111 111 18388 1 . SER 112 112 18388 1 . TRP 113 113 18388 1 . LYS 114 114 18388 1 . THR 115 115 18388 1 . ILE 116 116 18388 1 . GLU 117 117 18388 1 . ILE 118 118 18388 1 . PRO 119 119 18388 1 . PHE 120 120 18388 1 . SER 121 121 18388 1 . SER 122 122 18388 1 . PHE 123 123 18388 1 . ARG 124 124 18388 1 . ARG 125 125 18388 1 . ARG 126 126 18388 1 . LEU 127 127 18388 1 . ASP 128 128 18388 1 . TYR 129 129 18388 1 . GLN 130 130 18388 1 . PRO 131 131 18388 1 . PRO 132 132 18388 1 . GLY 133 133 18388 1 . GLN 134 134 18388 1 . ASP 135 135 18388 1 . MET 136 136 18388 1 . SER 137 137 18388 1 . GLY 138 138 18388 1 . THR 139 139 18388 1 . LEU 140 140 18388 1 . ASP 141 141 18388 1 . LEU 142 142 18388 1 . ASP 143 143 18388 1 . ASN 144 144 18388 1 . ILE 145 145 18388 1 . ASP 146 146 18388 1 . SER 147 147 18388 1 . ILE 148 148 18388 1 . HIS 149 149 18388 1 . PHE 150 150 18388 1 . MET 151 151 18388 1 . TYR 152 152 18388 1 . ALA 153 153 18388 1 . ASN 154 154 18388 1 . ASN 155 155 18388 1 . LYS 156 156 18388 1 . SER 157 157 18388 1 . GLY 158 158 18388 1 . LYS 159 159 18388 1 . PHE 160 160 18388 1 . VAL 161 161 18388 1 . VAL 162 162 18388 1 . ASP 163 163 18388 1 . ASN 164 164 18388 1 . ILE 165 165 18388 1 . LYS 166 166 18388 1 . LEU 167 167 18388 1 . ILE 168 168 18388 1 . GLY 169 169 18388 1 . ALA 170 170 18388 1 . LEU 171 171 18388 1 . GLU 172 172 18388 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 18388 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 18388 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 18388 2 CA 'Three letter code' 18388 2 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 1 CA $chem_comp_CA 18388 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 18388 2 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 18388 _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 $CtCBM11 . 1515 organism . 'Clostridium thermocellum' 'Clostridium thermocellum' . . Bacteria . Clostridium thermocellum . . . . . . . . . . . . . 18388 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 18388 _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 $CtCBM11 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21-a . . . 18388 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18388 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18388 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18388 CA [Ca++] SMILES CACTVS 3.341 18388 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18388 CA [Ca+2] SMILES ACDLabs 10.04 18388 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18388 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18388 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18388 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18388 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18388 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18388 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CtCBM11 '[U-13C; U-15N]' . . 1 $CtCBM11 . . 1 . . mM . . . . 18388 1 2 'potassium phosphate' 'natural abundance' . . . . . . 0.75 . . mM . . . . 18388 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18388 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.75 . mM 18388 1 pH 7.5 . pH 18388 1 pressure 1 . atm 18388 1 temperature 298 . K 18388 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18388 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18388 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18388 _Software.ID 2 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18388 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18388 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18388 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18388 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18388 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance600 _NMR_spectrometer.Entry_ID 18388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18388 _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 Avance600 Bruker Avance . 600 . . . 18388 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 18388 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance600 . . . . . . . . . . . . . . . . 18388 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode ref _Chem_shift_reference.Entry_ID 18388 _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 0.00 na indirect 0.251449530 . . . . . 18388 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18388 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18388 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 18388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18388 1 2 '2D 1H-13C HSQC' . . . 18388 1 3 '3D HNCO' . . . 18388 1 4 '3D HN(CO)CA' . . . 18388 1 5 '3D CBCA(CO)NH' . . . 18388 1 6 '3D HNCACB' . . . 18388 1 7 '3D HNHA' . . . 18388 1 8 '3D HCCH-TOCSY' . . . 18388 1 10 '3D 1H-13C NOESY aromatic' . . . 18388 1 11 '3D 1H-15N NOESY' . . . 18388 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 2 2 ALA H H 1 9.493 0.020 . 1 . . . A 2 ALA H . 18388 1 2 . 1 1 2 2 ALA HA H 1 4.038 0.020 . 1 . . . A 2 ALA HA . 18388 1 3 . 1 1 2 2 ALA HB1 H 1 1.047 0.020 . . . . . A 2 ALA HB1 . 18388 1 4 . 1 1 2 2 ALA HB2 H 1 1.047 0.020 . . . . . A 2 ALA HB2 . 18388 1 5 . 1 1 2 2 ALA HB3 H 1 1.047 0.020 . . . . . A 2 ALA HB3 . 18388 1 6 . 1 1 2 2 ALA C C 13 173.886 0.300 . 1 . . . A 2 ALA C . 18388 1 7 . 1 1 2 2 ALA CA C 13 48.021 0.300 . 1 . . . A 2 ALA CA . 18388 1 8 . 1 1 2 2 ALA CB C 13 19.688 0.300 . 1 . . . A 2 ALA CB . 18388 1 9 . 1 1 2 2 ALA N N 15 118.911 0.300 . 1 . . . A 2 ALA N . 18388 1 10 . 1 1 5 5 VAL H H 1 7.656 0.020 . 1 . . . A 5 VAL H . 18388 1 11 . 1 1 5 5 VAL HA H 1 4.069 0.020 . 1 . . . A 5 VAL HA . 18388 1 12 . 1 1 5 5 VAL HB H 1 2.039 0.020 . 1 . . . A 5 VAL HB . 18388 1 13 . 1 1 5 5 VAL HG11 H 1 0.898 0.020 . . . . . A 5 VAL HG11 . 18388 1 14 . 1 1 5 5 VAL HG12 H 1 0.898 0.020 . . . . . A 5 VAL HG12 . 18388 1 15 . 1 1 5 5 VAL HG13 H 1 0.898 0.020 . . . . . A 5 VAL HG13 . 18388 1 16 . 1 1 5 5 VAL C C 13 173.798 0.300 . 1 . . . A 5 VAL C . 18388 1 17 . 1 1 5 5 VAL CA C 13 59.682 0.300 . 1 . . . A 5 VAL CA . 18388 1 18 . 1 1 5 5 VAL CB C 13 29.997 0.300 . 1 . . . A 5 VAL CB . 18388 1 19 . 1 1 5 5 VAL CG1 C 13 17.063 0.300 . 2 . . . A 5 VAL CG1 . 18388 1 20 . 1 1 5 5 VAL CG2 C 13 18.321 0.300 . 2 . . . A 5 VAL CG2 . 18388 1 21 . 1 1 5 5 VAL N N 15 119.415 0.300 . 1 . . . A 5 VAL N . 18388 1 22 . 1 1 6 6 GLY H H 1 8.680 0.020 . 1 . . . A 6 GLY H . 18388 1 23 . 1 1 6 6 GLY HA2 H 1 4.021 0.020 . 2 . . . A 6 GLY HA2 . 18388 1 24 . 1 1 6 6 GLY HA3 H 1 4.164 0.020 . 2 . . . A 6 GLY HA3 . 18388 1 25 . 1 1 6 6 GLY C C 13 170.516 0.300 . 1 . . . A 6 GLY C . 18388 1 26 . 1 1 6 6 GLY CA C 13 43.067 0.300 . 1 . . . A 6 GLY CA . 18388 1 27 . 1 1 6 6 GLY N N 15 112.487 0.300 . 1 . . . A 6 GLY N . 18388 1 28 . 1 1 7 7 GLU H H 1 7.947 0.020 . 1 . . . A 7 GLU H . 18388 1 29 . 1 1 7 7 GLU HA H 1 5.244 0.020 . 1 . . . A 7 GLU HA . 18388 1 30 . 1 1 7 7 GLU HB2 H 1 1.760 0.020 . 2 . . . A 7 GLU HB2 . 18388 1 31 . 1 1 7 7 GLU HB3 H 1 1.960 0.020 . 2 . . . A 7 GLU HB3 . 18388 1 32 . 1 1 7 7 GLU HG2 H 1 2.112 0.020 . 2 . . . A 7 GLU HG2 . 18388 1 33 . 1 1 7 7 GLU HG3 H 1 2.112 0.020 . 2 . . . A 7 GLU HG3 . 18388 1 34 . 1 1 7 7 GLU C C 13 172.529 0.300 . 1 . . . A 7 GLU C . 18388 1 35 . 1 1 7 7 GLU CA C 13 52.023 0.300 . 1 . . . A 7 GLU CA . 18388 1 36 . 1 1 7 7 GLU CB C 13 31.125 0.300 . 1 . . . A 7 GLU CB . 18388 1 37 . 1 1 7 7 GLU CG C 13 32.460 0.300 . 1 . . . A 7 GLU CG . 18388 1 38 . 1 1 7 7 GLU N N 15 117.326 0.300 . 1 . . . A 7 GLU N . 18388 1 39 . 1 1 8 8 LYS H H 1 8.231 0.020 . 1 . . . A 8 LYS H . 18388 1 40 . 1 1 8 8 LYS HA H 1 4.168 0.020 . 1 . . . A 8 LYS HA . 18388 1 41 . 1 1 8 8 LYS HB2 H 1 1.310 0.020 . 2 . . . A 8 LYS HB2 . 18388 1 42 . 1 1 8 8 LYS HB3 H 1 1.169 0.020 . 2 . . . A 8 LYS HB3 . 18388 1 43 . 1 1 8 8 LYS HG2 H 1 1.487 0.020 . 2 . . . A 8 LYS HG2 . 18388 1 44 . 1 1 8 8 LYS HG3 H 1 1.639 0.020 . 2 . . . A 8 LYS HG3 . 18388 1 45 . 1 1 8 8 LYS HD2 H 1 0.774 0.020 . 2 . . . A 8 LYS HD2 . 18388 1 46 . 1 1 8 8 LYS HD3 H 1 0.774 0.020 . 2 . . . A 8 LYS HD3 . 18388 1 47 . 1 1 8 8 LYS HE2 H 1 2.864 0.020 . 2 . . . A 8 LYS HE2 . 18388 1 48 . 1 1 8 8 LYS HE3 H 1 2.864 0.020 . 2 . . . A 8 LYS HE3 . 18388 1 49 . 1 1 8 8 LYS C C 13 171.730 0.300 . 1 . . . A 8 LYS C . 18388 1 50 . 1 1 8 8 LYS CA C 13 52.385 0.300 . 1 . . . A 8 LYS CA . 18388 1 51 . 1 1 8 8 LYS CB C 13 32.800 0.300 . 1 . . . A 8 LYS CB . 18388 1 52 . 1 1 8 8 LYS CG C 13 26.816 0.300 . 1 . . . A 8 LYS CG . 18388 1 53 . 1 1 8 8 LYS CD C 13 21.932 0.300 . 1 . . . A 8 LYS CD . 18388 1 54 . 1 1 8 8 LYS CE C 13 39.452 0.300 . 1 . . . A 8 LYS CE . 18388 1 55 . 1 1 8 8 LYS N N 15 122.590 0.300 . 1 . . . A 8 LYS N . 18388 1 56 . 1 1 9 9 MET H H 1 8.911 0.020 . 1 . . . A 9 MET H . 18388 1 57 . 1 1 9 9 MET HA H 1 4.307 0.020 . 1 . . . A 9 MET HA . 18388 1 58 . 1 1 9 9 MET HB2 H 1 1.909 0.020 . 2 . . . A 9 MET HB2 . 18388 1 59 . 1 1 9 9 MET HB3 H 1 2.039 0.020 . 2 . . . A 9 MET HB3 . 18388 1 60 . 1 1 9 9 MET HG2 H 1 1.255 0.020 . 2 . . . A 9 MET HG2 . 18388 1 61 . 1 1 9 9 MET HG3 H 1 1.331 0.020 . 2 . . . A 9 MET HG3 . 18388 1 62 . 1 1 9 9 MET C C 13 172.803 0.300 . 1 . . . A 9 MET C . 18388 1 63 . 1 1 9 9 MET CA C 13 52.889 0.300 . 1 . . . A 9 MET CA . 18388 1 64 . 1 1 9 9 MET CB C 13 27.937 0.300 . 1 . . . A 9 MET CB . 18388 1 65 . 1 1 9 9 MET CG C 13 26.813 0.300 . 1 . . . A 9 MET CG . 18388 1 66 . 1 1 9 9 MET N N 15 128.561 0.300 . 1 . . . A 9 MET N . 18388 1 67 . 1 1 10 10 LEU H H 1 9.648 0.020 . 1 . . . A 10 LEU H . 18388 1 68 . 1 1 10 10 LEU HA H 1 4.529 0.020 . 1 . . . A 10 LEU HA . 18388 1 69 . 1 1 10 10 LEU HB2 H 1 1.218 0.020 . 2 . . . A 10 LEU HB2 . 18388 1 70 . 1 1 10 10 LEU HB3 H 1 1.655 0.020 . 2 . . . A 10 LEU HB3 . 18388 1 71 . 1 1 10 10 LEU HG H 1 1.492 0.020 . 1 . . . A 10 LEU HG . 18388 1 72 . 1 1 10 10 LEU HD11 H 1 0.795 0.020 . . . . . A 10 LEU HD11 . 18388 1 73 . 1 1 10 10 LEU HD12 H 1 0.795 0.020 . . . . . A 10 LEU HD12 . 18388 1 74 . 1 1 10 10 LEU HD13 H 1 0.795 0.020 . . . . . A 10 LEU HD13 . 18388 1 75 . 1 1 10 10 LEU C C 13 174.825 0.300 . 1 . . . A 10 LEU C . 18388 1 76 . 1 1 10 10 LEU CA C 13 53.397 0.300 . 1 . . . A 10 LEU CA . 18388 1 77 . 1 1 10 10 LEU CB C 13 40.054 0.300 . 1 . . . A 10 LEU CB . 18388 1 78 . 1 1 10 10 LEU CG C 13 24.105 0.300 . 1 . . . A 10 LEU CG . 18388 1 79 . 1 1 10 10 LEU CD1 C 13 20.051 0.300 . 2 . . . A 10 LEU CD1 . 18388 1 80 . 1 1 10 10 LEU N N 15 129.819 0.300 . 1 . . . A 10 LEU N . 18388 1 81 . 1 1 11 11 ASP H H 1 7.998 0.020 . 1 . . . A 11 ASP H . 18388 1 82 . 1 1 11 11 ASP HA H 1 4.544 0.020 . 1 . . . A 11 ASP HA . 18388 1 83 . 1 1 11 11 ASP HB2 H 1 2.199 0.020 . 2 . . . A 11 ASP HB2 . 18388 1 84 . 1 1 11 11 ASP HB3 H 1 2.366 0.020 . 2 . . . A 11 ASP HB3 . 18388 1 85 . 1 1 11 11 ASP C C 13 170.600 0.300 . 1 . . . A 11 ASP C . 18388 1 86 . 1 1 11 11 ASP CA C 13 53.030 0.300 . 1 . . . A 11 ASP CA . 18388 1 87 . 1 1 11 11 ASP CB C 13 39.845 0.300 . 1 . . . A 11 ASP CB . 18388 1 88 . 1 1 11 11 ASP N N 15 115.392 0.300 . 1 . . . A 11 ASP N . 18388 1 89 . 1 1 12 12 ASP H H 1 7.883 0.020 . 1 . . . A 12 ASP H . 18388 1 90 . 1 1 12 12 ASP HA H 1 4.660 0.020 . 1 . . . A 12 ASP HA . 18388 1 91 . 1 1 12 12 ASP HB2 H 1 2.799 0.020 . 2 . . . A 12 ASP HB2 . 18388 1 92 . 1 1 12 12 ASP HB3 H 1 3.666 0.020 . 2 . . . A 12 ASP HB3 . 18388 1 93 . 1 1 12 12 ASP C C 13 174.882 0.300 . 1 . . . A 12 ASP C . 18388 1 94 . 1 1 12 12 ASP CA C 13 50.115 0.300 . 1 . . . A 12 ASP CA . 18388 1 95 . 1 1 12 12 ASP CB C 13 37.821 0.300 . 1 . . . A 12 ASP CB . 18388 1 96 . 1 1 12 12 ASP N N 15 124.013 0.300 . 1 . . . A 12 ASP N . 18388 1 97 . 1 1 13 13 PHE H H 1 9.163 0.020 . 1 . . . A 13 PHE H . 18388 1 98 . 1 1 13 13 PHE HA H 1 4.053 0.020 . 1 . . . A 13 PHE HA . 18388 1 99 . 1 1 13 13 PHE HB2 H 1 3.022 0.020 . 2 . . . A 13 PHE HB2 . 18388 1 100 . 1 1 13 13 PHE HB3 H 1 3.144 0.020 . 2 . . . A 13 PHE HB3 . 18388 1 101 . 1 1 13 13 PHE HD1 H 1 7.182 0.020 . 3 . . . A 13 PHE HD1 . 18388 1 102 . 1 1 13 13 PHE HD2 H 1 7.182 0.020 . 3 . . . A 13 PHE HD2 . 18388 1 103 . 1 1 13 13 PHE HE1 H 1 6.968 0.020 . 3 . . . A 13 PHE HE1 . 18388 1 104 . 1 1 13 13 PHE HE2 H 1 6.968 0.020 . 3 . . . A 13 PHE HE2 . 18388 1 105 . 1 1 13 13 PHE C C 13 171.859 0.300 . 1 . . . A 13 PHE C . 18388 1 106 . 1 1 13 13 PHE CA C 13 58.666 0.300 . 1 . . . A 13 PHE CA . 18388 1 107 . 1 1 13 13 PHE CB C 13 31.854 0.300 . 1 . . . A 13 PHE CB . 18388 1 108 . 1 1 13 13 PHE N N 15 117.201 0.300 . 1 . . . A 13 PHE N . 18388 1 109 . 1 1 14 14 GLU H H 1 7.999 0.020 . 1 . . . A 14 GLU H . 18388 1 110 . 1 1 14 14 GLU HA H 1 4.851 0.020 . 1 . . . A 14 GLU HA . 18388 1 111 . 1 1 14 14 GLU HB2 H 1 1.666 0.020 . 2 . . . A 14 GLU HB2 . 18388 1 112 . 1 1 14 14 GLU HB3 H 1 2.277 0.020 . 2 . . . A 14 GLU HB3 . 18388 1 113 . 1 1 14 14 GLU HG2 H 1 2.160 0.020 . 2 . . . A 14 GLU HG2 . 18388 1 114 . 1 1 14 14 GLU HG3 H 1 2.314 0.020 . 2 . . . A 14 GLU HG3 . 18388 1 115 . 1 1 14 14 GLU C C 13 175.090 0.300 . 1 . . . A 14 GLU C . 18388 1 116 . 1 1 14 14 GLU CA C 13 51.695 0.300 . 1 . . . A 14 GLU CA . 18388 1 117 . 1 1 14 14 GLU CB C 13 24.660 0.300 . 1 . . . A 14 GLU CB . 18388 1 118 . 1 1 14 14 GLU CG C 13 31.845 0.300 . 1 . . . A 14 GLU CG . 18388 1 119 . 1 1 14 14 GLU N N 15 112.860 0.300 . 1 . . . A 14 GLU N . 18388 1 120 . 1 1 15 15 GLY H H 1 7.933 0.020 . 1 . . . A 15 GLY H . 18388 1 121 . 1 1 15 15 GLY HA2 H 1 3.645 0.020 . 2 . . . A 15 GLY HA2 . 18388 1 122 . 1 1 15 15 GLY HA3 H 1 4.508 0.020 . 2 . . . A 15 GLY HA3 . 18388 1 123 . 1 1 15 15 GLY C C 13 171.456 0.300 . 1 . . . A 15 GLY C . 18388 1 124 . 1 1 15 15 GLY CA C 13 41.552 0.300 . 1 . . . A 15 GLY CA . 18388 1 125 . 1 1 15 15 GLY N N 15 110.114 0.300 . 1 . . . A 15 GLY N . 18388 1 126 . 1 1 16 16 VAL H H 1 8.122 0.020 . 1 . . . A 16 VAL H . 18388 1 127 . 1 1 16 16 VAL HA H 1 4.038 0.020 . 1 . . . A 16 VAL HA . 18388 1 128 . 1 1 16 16 VAL HB H 1 2.051 0.020 . 1 . . . A 16 VAL HB . 18388 1 129 . 1 1 16 16 VAL HG11 H 1 0.927 0.020 . . . . . A 16 VAL HG11 . 18388 1 130 . 1 1 16 16 VAL HG12 H 1 0.927 0.020 . . . . . A 16 VAL HG12 . 18388 1 131 . 1 1 16 16 VAL HG13 H 1 0.927 0.020 . . . . . A 16 VAL HG13 . 18388 1 132 . 1 1 16 16 VAL HG21 H 1 0.897 0.020 . . . . . A 16 VAL HG21 . 18388 1 133 . 1 1 16 16 VAL HG22 H 1 0.897 0.020 . . . . . A 16 VAL HG22 . 18388 1 134 . 1 1 16 16 VAL HG23 H 1 0.897 0.020 . . . . . A 16 VAL HG23 . 18388 1 135 . 1 1 16 16 VAL C C 13 172.975 0.300 . 1 . . . A 16 VAL C . 18388 1 136 . 1 1 16 16 VAL CA C 13 59.093 0.300 . 1 . . . A 16 VAL CA . 18388 1 137 . 1 1 16 16 VAL CB C 13 29.945 0.300 . 1 . . . A 16 VAL CB . 18388 1 138 . 1 1 16 16 VAL CG1 C 13 18.384 0.300 . 2 . . . A 16 VAL CG1 . 18388 1 139 . 1 1 16 16 VAL CG2 C 13 17.095 0.300 . 2 . . . A 16 VAL CG2 . 18388 1 140 . 1 1 16 16 VAL N N 15 121.850 0.300 . 1 . . . A 16 VAL N . 18388 1 141 . 1 1 17 17 LEU H H 1 8.406 0.020 . 1 . . . A 17 LEU H . 18388 1 142 . 1 1 17 17 LEU HA H 1 4.663 0.020 . 1 . . . A 17 LEU HA . 18388 1 143 . 1 1 17 17 LEU HB2 H 1 1.522 0.020 . 2 . . . A 17 LEU HB2 . 18388 1 144 . 1 1 17 17 LEU HB3 H 1 2.037 0.020 . 2 . . . A 17 LEU HB3 . 18388 1 145 . 1 1 17 17 LEU HG H 1 1.717 0.020 . 1 . . . A 17 LEU HG . 18388 1 146 . 1 1 17 17 LEU HD11 H 1 0.988 0.020 . . . . . A 17 LEU HD11 . 18388 1 147 . 1 1 17 17 LEU HD12 H 1 0.988 0.020 . . . . . A 17 LEU HD12 . 18388 1 148 . 1 1 17 17 LEU HD13 H 1 0.988 0.020 . . . . . A 17 LEU HD13 . 18388 1 149 . 1 1 17 17 LEU HD21 H 1 1.186 0.020 . . . . . A 17 LEU HD21 . 18388 1 150 . 1 1 17 17 LEU HD22 H 1 1.186 0.020 . . . . . A 17 LEU HD22 . 18388 1 151 . 1 1 17 17 LEU HD23 H 1 1.186 0.020 . . . . . A 17 LEU HD23 . 18388 1 152 . 1 1 17 17 LEU C C 13 174.567 0.300 . 1 . . . A 17 LEU C . 18388 1 153 . 1 1 17 17 LEU CA C 13 52.524 0.300 . 1 . . . A 17 LEU CA . 18388 1 154 . 1 1 17 17 LEU CB C 13 38.660 0.300 . 1 . . . A 17 LEU CB . 18388 1 155 . 1 1 17 17 LEU CG C 13 22.714 0.300 . 1 . . . A 17 LEU CG . 18388 1 156 . 1 1 17 17 LEU CD1 C 13 17.668 0.300 . 2 . . . A 17 LEU CD1 . 18388 1 157 . 1 1 17 17 LEU CD2 C 13 11.493 0.300 . 2 . . . A 17 LEU CD2 . 18388 1 158 . 1 1 17 17 LEU N N 15 124.314 0.300 . 1 . . . A 17 LEU N . 18388 1 159 . 1 1 18 18 ASN H H 1 9.816 0.020 . 1 . . . A 18 ASN H . 18388 1 160 . 1 1 18 18 ASN HA H 1 4.871 0.020 . 1 . . . A 18 ASN HA . 18388 1 161 . 1 1 18 18 ASN HB2 H 1 2.199 0.020 . 2 . . . A 18 ASN HB2 . 18388 1 162 . 1 1 18 18 ASN HB3 H 1 2.422 0.020 . 2 . . . A 18 ASN HB3 . 18388 1 163 . 1 1 18 18 ASN HD21 H 1 7.207 0.020 . 2 . . . A 18 ASN HD21 . 18388 1 164 . 1 1 18 18 ASN HD22 H 1 6.680 0.020 . 2 . . . A 18 ASN HD22 . 18388 1 165 . 1 1 18 18 ASN C C 13 171.344 0.300 . 1 . . . A 18 ASN C . 18388 1 166 . 1 1 18 18 ASN CA C 13 50.842 0.300 . 1 . . . A 18 ASN CA . 18388 1 167 . 1 1 18 18 ASN CB C 13 36.763 0.300 . 1 . . . A 18 ASN CB . 18388 1 168 . 1 1 18 18 ASN CG C 13 173.707 0.300 . 1 . . . A 18 ASN CG . 18388 1 169 . 1 1 18 18 ASN N N 15 127.412 0.300 . 1 . . . A 18 ASN N . 18388 1 170 . 1 1 18 18 ASN ND2 N 15 113.034 0.300 . 1 . . . A 18 ASN ND2 . 18388 1 171 . 1 1 19 19 TRP H H 1 6.885 0.020 . 1 . . . A 19 TRP H . 18388 1 172 . 1 1 19 19 TRP HA H 1 4.839 0.020 . 1 . . . A 19 TRP HA . 18388 1 173 . 1 1 19 19 TRP HB2 H 1 2.834 0.020 . 2 . . . A 19 TRP HB2 . 18388 1 174 . 1 1 19 19 TRP HB3 H 1 3.489 0.020 . 2 . . . A 19 TRP HB3 . 18388 1 175 . 1 1 19 19 TRP HD1 H 1 7.428 0.020 . 1 . . . A 19 TRP HD1 . 18388 1 176 . 1 1 19 19 TRP HE1 H 1 10.708 0.020 . 1 . . . A 19 TRP HE1 . 18388 1 177 . 1 1 19 19 TRP HE3 H 1 7.865 0.020 . 1 . . . A 19 TRP HE3 . 18388 1 178 . 1 1 19 19 TRP HZ2 H 1 7.312 0.020 . 1 . . . A 19 TRP HZ2 . 18388 1 179 . 1 1 19 19 TRP HZ3 H 1 7.080 0.020 . 1 . . . A 19 TRP HZ3 . 18388 1 180 . 1 1 19 19 TRP HH2 H 1 6.673 0.020 . 1 . . . A 19 TRP HH2 . 18388 1 181 . 1 1 19 19 TRP C C 13 174.849 0.300 . 1 . . . A 19 TRP C . 18388 1 182 . 1 1 19 19 TRP CA C 13 55.103 0.300 . 1 . . . A 19 TRP CA . 18388 1 183 . 1 1 19 19 TRP CB C 13 27.089 0.300 . 1 . . . A 19 TRP CB . 18388 1 184 . 1 1 19 19 TRP CD1 C 13 124.174 0.300 . 1 . . . A 19 TRP CD1 . 18388 1 185 . 1 1 19 19 TRP CE3 C 13 119.405 0.300 . 1 . . . A 19 TRP CE3 . 18388 1 186 . 1 1 19 19 TRP CZ2 C 13 110.444 0.300 . 1 . . . A 19 TRP CZ2 . 18388 1 187 . 1 1 19 19 TRP CZ3 C 13 121.004 0.300 . 1 . . . A 19 TRP CZ3 . 18388 1 188 . 1 1 19 19 TRP N N 15 119.781 0.300 . 1 . . . A 19 TRP N . 18388 1 189 . 1 1 19 19 TRP NE1 N 15 133.691 0.300 . 1 . . . A 19 TRP NE1 . 18388 1 190 . 1 1 20 20 GLY H H 1 9.462 0.020 . 1 . . . A 20 GLY H . 18388 1 191 . 1 1 20 20 GLY HA2 H 1 3.959 0.020 . 2 . . . A 20 GLY HA2 . 18388 1 192 . 1 1 20 20 GLY HA3 H 1 4.716 0.020 . 2 . . . A 20 GLY HA3 . 18388 1 193 . 1 1 20 20 GLY C C 13 171.151 0.300 . 1 . . . A 20 GLY C . 18388 1 194 . 1 1 20 20 GLY CA C 13 40.888 0.300 . 1 . . . A 20 GLY CA . 18388 1 195 . 1 1 20 20 GLY N N 15 113.314 0.300 . 1 . . . A 20 GLY N . 18388 1 196 . 1 1 21 21 SER H H 1 8.859 0.020 . 1 . . . A 21 SER H . 18388 1 197 . 1 1 21 21 SER HA H 1 5.475 0.020 . 1 . . . A 21 SER HA . 18388 1 198 . 1 1 21 21 SER HB2 H 1 3.936 0.020 . 2 . . . A 21 SER HB2 . 18388 1 199 . 1 1 21 21 SER HB3 H 1 4.018 0.020 . 2 . . . A 21 SER HB3 . 18388 1 200 . 1 1 21 21 SER C C 13 170.160 0.300 . 1 . . . A 21 SER C . 18388 1 201 . 1 1 21 21 SER CA C 13 55.822 0.300 . 1 . . . A 21 SER CA . 18388 1 202 . 1 1 21 21 SER CB C 13 63.809 0.300 . 1 . . . A 21 SER CB . 18388 1 203 . 1 1 21 21 SER N N 15 115.038 0.300 . 1 . . . A 21 SER N . 18388 1 204 . 1 1 22 22 TYR H H 1 8.649 0.020 . 1 . . . A 22 TYR H . 18388 1 205 . 1 1 22 22 TYR HA H 1 5.101 0.020 . 1 . . . A 22 TYR HA . 18388 1 206 . 1 1 22 22 TYR HB2 H 1 3.087 0.020 . 2 . . . A 22 TYR HB2 . 18388 1 207 . 1 1 22 22 TYR HB3 H 1 3.130 0.020 . 2 . . . A 22 TYR HB3 . 18388 1 208 . 1 1 22 22 TYR HD1 H 1 6.771 0.020 . 3 . . . A 22 TYR HD1 . 18388 1 209 . 1 1 22 22 TYR HD2 H 1 6.771 0.020 . 3 . . . A 22 TYR HD2 . 18388 1 210 . 1 1 22 22 TYR HE1 H 1 6.622 0.020 . 3 . . . A 22 TYR HE1 . 18388 1 211 . 1 1 22 22 TYR HE2 H 1 6.622 0.020 . 3 . . . A 22 TYR HE2 . 18388 1 212 . 1 1 22 22 TYR HH H 1 6.955 0.020 . 1 . . . A 22 TYR HH . 18388 1 213 . 1 1 22 22 TYR C C 13 170.458 0.300 . 1 . . . A 22 TYR C . 18388 1 214 . 1 1 22 22 TYR CA C 13 53.421 0.300 . 1 . . . A 22 TYR CA . 18388 1 215 . 1 1 22 22 TYR CB C 13 37.562 0.300 . 1 . . . A 22 TYR CB . 18388 1 216 . 1 1 22 22 TYR CD2 C 13 131.579 0.300 . 3 . . . A 22 TYR CD2 . 18388 1 217 . 1 1 22 22 TYR CE2 C 13 114.545 0.300 . 3 . . . A 22 TYR CE2 . 18388 1 218 . 1 1 22 22 TYR N N 15 118.021 0.300 . 1 . . . A 22 TYR N . 18388 1 219 . 1 1 23 23 SER H H 1 8.313 0.020 . 1 . . . A 23 SER H . 18388 1 220 . 1 1 23 23 SER HA H 1 4.678 0.020 . 1 . . . A 23 SER HA . 18388 1 221 . 1 1 23 23 SER HB2 H 1 3.762 0.020 . 2 . . . A 23 SER HB2 . 18388 1 222 . 1 1 23 23 SER HB3 H 1 4.165 0.020 . 2 . . . A 23 SER HB3 . 18388 1 223 . 1 1 23 23 SER C C 13 169.706 0.300 . 1 . . . A 23 SER C . 18388 1 224 . 1 1 23 23 SER CA C 13 55.522 0.300 . 1 . . . A 23 SER CA . 18388 1 225 . 1 1 23 23 SER CB C 13 62.032 0.300 . 1 . . . A 23 SER CB . 18388 1 226 . 1 1 23 23 SER N N 15 109.482 0.300 . 1 . . . A 23 SER N . 18388 1 227 . 1 1 24 24 GLY H H 1 7.126 0.020 . 1 . . . A 24 GLY H . 18388 1 228 . 1 1 24 24 GLY HA2 H 1 3.427 0.020 . 2 . . . A 24 GLY HA2 . 18388 1 229 . 1 1 24 24 GLY HA3 H 1 4.165 0.020 . 2 . . . A 24 GLY HA3 . 18388 1 230 . 1 1 24 24 GLY C C 13 170.001 0.300 . 1 . . . A 24 GLY C . 18388 1 231 . 1 1 24 24 GLY CA C 13 42.577 0.300 . 1 . . . A 24 GLY CA . 18388 1 232 . 1 1 24 24 GLY N N 15 103.259 0.300 . 1 . . . A 24 GLY N . 18388 1 233 . 1 1 25 25 GLU H H 1 8.893 0.020 . 1 . . . A 25 GLU H . 18388 1 234 . 1 1 25 25 GLU HA H 1 3.900 0.020 . 1 . . . A 25 GLU HA . 18388 1 235 . 1 1 25 25 GLU HB2 H 1 1.768 0.020 . 2 . . . A 25 GLU HB2 . 18388 1 236 . 1 1 25 25 GLU HB3 H 1 2.086 0.020 . 2 . . . A 25 GLU HB3 . 18388 1 237 . 1 1 25 25 GLU HG2 H 1 2.172 0.020 . 2 . . . A 25 GLU HG2 . 18388 1 238 . 1 1 25 25 GLU HG3 H 1 2.357 0.020 . 2 . . . A 25 GLU HG3 . 18388 1 239 . 1 1 25 25 GLU C C 13 173.537 0.300 . 1 . . . A 25 GLU C . 18388 1 240 . 1 1 25 25 GLU CA C 13 53.365 0.300 . 1 . . . A 25 GLU CA . 18388 1 241 . 1 1 25 25 GLU CB C 13 24.862 0.300 . 1 . . . A 25 GLU CB . 18388 1 242 . 1 1 25 25 GLU CG C 13 32.710 0.300 . 1 . . . A 25 GLU CG . 18388 1 243 . 1 1 25 25 GLU N N 15 116.189 0.300 . 1 . . . A 25 GLU N . 18388 1 244 . 1 1 26 26 GLY H H 1 8.354 0.020 . 1 . . . A 26 GLY H . 18388 1 245 . 1 1 26 26 GLY HA2 H 1 3.457 0.020 . 2 . . . A 26 GLY HA2 . 18388 1 246 . 1 1 26 26 GLY HA3 H 1 4.190 0.020 . 2 . . . A 26 GLY HA3 . 18388 1 247 . 1 1 26 26 GLY C C 13 171.415 0.300 . 1 . . . A 26 GLY C . 18388 1 248 . 1 1 26 26 GLY CA C 13 42.936 0.300 . 1 . . . A 26 GLY CA . 18388 1 249 . 1 1 26 26 GLY N N 15 106.643 0.300 . 1 . . . A 26 GLY N . 18388 1 250 . 1 1 27 27 ALA H H 1 6.985 0.020 . 1 . . . A 27 ALA H . 18388 1 251 . 1 1 27 27 ALA HA H 1 4.460 0.020 . 1 . . . A 27 ALA HA . 18388 1 252 . 1 1 27 27 ALA HB1 H 1 1.534 0.020 . . . . . A 27 ALA HB1 . 18388 1 253 . 1 1 27 27 ALA HB2 H 1 1.534 0.020 . . . . . A 27 ALA HB2 . 18388 1 254 . 1 1 27 27 ALA HB3 H 1 1.534 0.020 . . . . . A 27 ALA HB3 . 18388 1 255 . 1 1 27 27 ALA C C 13 174.027 0.300 . 1 . . . A 27 ALA C . 18388 1 256 . 1 1 27 27 ALA CA C 13 49.327 0.300 . 1 . . . A 27 ALA CA . 18388 1 257 . 1 1 27 27 ALA CB C 13 17.239 0.300 . 1 . . . A 27 ALA CB . 18388 1 258 . 1 1 27 27 ALA N N 15 123.381 0.300 . 1 . . . A 27 ALA N . 18388 1 259 . 1 1 28 28 LYS H H 1 8.514 0.020 . 1 . . . A 28 LYS H . 18388 1 260 . 1 1 28 28 LYS HA H 1 4.670 0.020 . 1 . . . A 28 LYS HA . 18388 1 261 . 1 1 28 28 LYS HB2 H 1 1.470 0.020 . 2 . . . A 28 LYS HB2 . 18388 1 262 . 1 1 28 28 LYS HB3 H 1 1.717 0.020 . 2 . . . A 28 LYS HB3 . 18388 1 263 . 1 1 28 28 LYS HG2 H 1 1.250 0.020 . 2 . . . A 28 LYS HG2 . 18388 1 264 . 1 1 28 28 LYS HG3 H 1 1.250 0.020 . 2 . . . A 28 LYS HG3 . 18388 1 265 . 1 1 28 28 LYS HD2 H 1 1.563 0.020 . 2 . . . A 28 LYS HD2 . 18388 1 266 . 1 1 28 28 LYS HD3 H 1 1.563 0.020 . 2 . . . A 28 LYS HD3 . 18388 1 267 . 1 1 28 28 LYS HE2 H 1 2.827 0.020 . 2 . . . A 28 LYS HE2 . 18388 1 268 . 1 1 28 28 LYS HE3 H 1 2.827 0.020 . 2 . . . A 28 LYS HE3 . 18388 1 269 . 1 1 28 28 LYS C C 13 171.111 0.300 . 1 . . . A 28 LYS C . 18388 1 270 . 1 1 28 28 LYS CA C 13 52.179 0.300 . 1 . . . A 28 LYS CA . 18388 1 271 . 1 1 28 28 LYS CB C 13 34.430 0.300 . 1 . . . A 28 LYS CB . 18388 1 272 . 1 1 28 28 LYS CG C 13 21.623 0.300 . 1 . . . A 28 LYS CG . 18388 1 273 . 1 1 28 28 LYS CD C 13 26.184 0.300 . 1 . . . A 28 LYS CD . 18388 1 274 . 1 1 28 28 LYS CE C 13 39.240 0.300 . 1 . . . A 28 LYS CE . 18388 1 275 . 1 1 28 28 LYS N N 15 117.403 0.300 . 1 . . . A 28 LYS N . 18388 1 276 . 1 1 29 29 VAL H H 1 8.222 0.020 . 1 . . . A 29 VAL H . 18388 1 277 . 1 1 29 29 VAL HA H 1 5.059 0.020 . 1 . . . A 29 VAL HA . 18388 1 278 . 1 1 29 29 VAL HB H 1 1.981 0.020 . 1 . . . A 29 VAL HB . 18388 1 279 . 1 1 29 29 VAL HG11 H 1 0.694 0.020 . . . . . A 29 VAL HG11 . 18388 1 280 . 1 1 29 29 VAL HG12 H 1 0.694 0.020 . . . . . A 29 VAL HG12 . 18388 1 281 . 1 1 29 29 VAL HG13 H 1 0.694 0.020 . . . . . A 29 VAL HG13 . 18388 1 282 . 1 1 29 29 VAL HG21 H 1 1.053 0.020 . . . . . A 29 VAL HG21 . 18388 1 283 . 1 1 29 29 VAL HG22 H 1 1.053 0.020 . . . . . A 29 VAL HG22 . 18388 1 284 . 1 1 29 29 VAL HG23 H 1 1.053 0.020 . . . . . A 29 VAL HG23 . 18388 1 285 . 1 1 29 29 VAL C C 13 169.490 0.300 . 1 . . . A 29 VAL C . 18388 1 286 . 1 1 29 29 VAL CA C 13 56.865 0.300 . 1 . . . A 29 VAL CA . 18388 1 287 . 1 1 29 29 VAL CB C 13 31.220 0.300 . 1 . . . A 29 VAL CB . 18388 1 288 . 1 1 29 29 VAL CG1 C 13 20.040 0.300 . 2 . . . A 29 VAL CG1 . 18388 1 289 . 1 1 29 29 VAL CG2 C 13 16.755 0.300 . 2 . . . A 29 VAL CG2 . 18388 1 290 . 1 1 29 29 VAL N N 15 117.856 0.300 . 1 . . . A 29 VAL N . 18388 1 291 . 1 1 30 30 SER H H 1 8.616 0.020 . 1 . . . A 30 SER H . 18388 1 292 . 1 1 30 30 SER HA H 1 4.782 0.020 . 1 . . . A 30 SER HA . 18388 1 293 . 1 1 30 30 SER HB2 H 1 3.690 0.020 . 2 . . . A 30 SER HB2 . 18388 1 294 . 1 1 30 30 SER HB3 H 1 3.690 0.020 . 2 . . . A 30 SER HB3 . 18388 1 295 . 1 1 30 30 SER C C 13 170.056 0.300 . 1 . . . A 30 SER C . 18388 1 296 . 1 1 30 30 SER CA C 13 54.210 0.300 . 1 . . . A 30 SER CA . 18388 1 297 . 1 1 30 30 SER CB C 13 62.973 0.300 . 1 . . . A 30 SER CB . 18388 1 298 . 1 1 30 30 SER N N 15 120.606 0.300 . 1 . . . A 30 SER N . 18388 1 299 . 1 1 31 31 THR H H 1 8.289 0.020 . 1 . . . A 31 THR H . 18388 1 300 . 1 1 31 31 THR HA H 1 5.458 0.020 . 1 . . . A 31 THR HA . 18388 1 301 . 1 1 31 31 THR HB H 1 3.915 0.020 . 1 . . . A 31 THR HB . 18388 1 302 . 1 1 31 31 THR HG21 H 1 1.082 0.020 . . . . . A 31 THR HG21 . 18388 1 303 . 1 1 31 31 THR HG22 H 1 1.082 0.020 . . . . . A 31 THR HG22 . 18388 1 304 . 1 1 31 31 THR HG23 H 1 1.082 0.020 . . . . . A 31 THR HG23 . 18388 1 305 . 1 1 31 31 THR C C 13 171.658 0.300 . 1 . . . A 31 THR C . 18388 1 306 . 1 1 31 31 THR CA C 13 55.997 0.300 . 1 . . . A 31 THR CA . 18388 1 307 . 1 1 31 31 THR CB C 13 69.505 0.300 . 1 . . . A 31 THR CB . 18388 1 308 . 1 1 31 31 THR CG2 C 13 19.186 0.300 . 1 . . . A 31 THR CG2 . 18388 1 309 . 1 1 31 31 THR N N 15 112.519 0.300 . 1 . . . A 31 THR N . 18388 1 310 . 1 1 32 32 LYS H H 1 8.338 0.020 . 1 . . . A 32 LYS H . 18388 1 311 . 1 1 32 32 LYS HA H 1 4.516 0.020 . 1 . . . A 32 LYS HA . 18388 1 312 . 1 1 32 32 LYS HB2 H 1 1.625 0.020 . 2 . . . A 32 LYS HB2 . 18388 1 313 . 1 1 32 32 LYS HB3 H 1 1.725 0.020 . 2 . . . A 32 LYS HB3 . 18388 1 314 . 1 1 32 32 LYS HG2 H 1 1.146 0.020 . 2 . . . A 32 LYS HG2 . 18388 1 315 . 1 1 32 32 LYS HG3 H 1 1.280 0.020 . 2 . . . A 32 LYS HG3 . 18388 1 316 . 1 1 32 32 LYS HD2 H 1 1.479 0.020 . 2 . . . A 32 LYS HD2 . 18388 1 317 . 1 1 32 32 LYS HD3 H 1 1.721 0.020 . 2 . . . A 32 LYS HD3 . 18388 1 318 . 1 1 32 32 LYS HE2 H 1 2.777 0.020 . 2 . . . A 32 LYS HE2 . 18388 1 319 . 1 1 32 32 LYS HE3 H 1 2.777 0.020 . 2 . . . A 32 LYS HE3 . 18388 1 320 . 1 1 32 32 LYS C C 13 171.474 0.300 . 1 . . . A 32 LYS C . 18388 1 321 . 1 1 32 32 LYS CA C 13 52.702 0.300 . 1 . . . A 32 LYS CA . 18388 1 322 . 1 1 32 32 LYS CB C 13 33.801 0.300 . 1 . . . A 32 LYS CB . 18388 1 323 . 1 1 32 32 LYS CG C 13 21.309 0.300 . 1 . . . A 32 LYS CG . 18388 1 324 . 1 1 32 32 LYS CD C 13 26.341 0.300 . 1 . . . A 32 LYS CD . 18388 1 325 . 1 1 32 32 LYS CE C 13 39.251 0.300 . 1 . . . A 32 LYS CE . 18388 1 326 . 1 1 32 32 LYS N N 15 119.281 0.300 . 1 . . . A 32 LYS N . 18388 1 327 . 1 1 33 33 ILE H H 1 8.600 0.020 . 1 . . . A 33 ILE H . 18388 1 328 . 1 1 33 33 ILE HA H 1 4.784 0.020 . 1 . . . A 33 ILE HA . 18388 1 329 . 1 1 33 33 ILE HB H 1 1.935 0.020 . 1 . . . A 33 ILE HB . 18388 1 330 . 1 1 33 33 ILE HG12 H 1 1.483 0.020 . 2 . . . A 33 ILE HG12 . 18388 1 331 . 1 1 33 33 ILE HG13 H 1 1.640 0.020 . 2 . . . A 33 ILE HG13 . 18388 1 332 . 1 1 33 33 ILE HG21 H 1 1.006 0.020 . . . . . A 33 ILE HG21 . 18388 1 333 . 1 1 33 33 ILE HG22 H 1 1.006 0.020 . . . . . A 33 ILE HG22 . 18388 1 334 . 1 1 33 33 ILE HG23 H 1 1.006 0.020 . . . . . A 33 ILE HG23 . 18388 1 335 . 1 1 33 33 ILE HD11 H 1 0.897 0.020 . . . . . A 33 ILE HD11 . 18388 1 336 . 1 1 33 33 ILE HD12 H 1 0.897 0.020 . . . . . A 33 ILE HD12 . 18388 1 337 . 1 1 33 33 ILE HD13 H 1 0.897 0.020 . . . . . A 33 ILE HD13 . 18388 1 338 . 1 1 33 33 ILE C C 13 173.484 0.300 . 1 . . . A 33 ILE C . 18388 1 339 . 1 1 33 33 ILE CA C 13 57.117 0.300 . 1 . . . A 33 ILE CA . 18388 1 340 . 1 1 33 33 ILE CB C 13 33.215 0.300 . 1 . . . A 33 ILE CB . 18388 1 341 . 1 1 33 33 ILE CG1 C 13 24.218 0.300 . 1 . . . A 33 ILE CG1 . 18388 1 342 . 1 1 33 33 ILE CG2 C 13 14.626 0.300 . 1 . . . A 33 ILE CG2 . 18388 1 343 . 1 1 33 33 ILE CD1 C 13 7.663 0.300 . 1 . . . A 33 ILE CD1 . 18388 1 344 . 1 1 33 33 ILE N N 15 124.191 0.300 . 1 . . . A 33 ILE N . 18388 1 345 . 1 1 34 34 VAL H H 1 8.290 0.020 . 1 . . . A 34 VAL H . 18388 1 346 . 1 1 34 34 VAL HA H 1 4.634 0.020 . 1 . . . A 34 VAL HA . 18388 1 347 . 1 1 34 34 VAL HB H 1 2.301 0.020 . 1 . . . A 34 VAL HB . 18388 1 348 . 1 1 34 34 VAL HG11 H 1 0.673 0.020 . . . . . A 34 VAL HG11 . 18388 1 349 . 1 1 34 34 VAL HG12 H 1 0.673 0.020 . . . . . A 34 VAL HG12 . 18388 1 350 . 1 1 34 34 VAL HG13 H 1 0.673 0.020 . . . . . A 34 VAL HG13 . 18388 1 351 . 1 1 34 34 VAL HG21 H 1 0.546 0.020 . . . . . A 34 VAL HG21 . 18388 1 352 . 1 1 34 34 VAL HG22 H 1 0.546 0.020 . . . . . A 34 VAL HG22 . 18388 1 353 . 1 1 34 34 VAL HG23 H 1 0.546 0.020 . . . . . A 34 VAL HG23 . 18388 1 354 . 1 1 34 34 VAL C C 13 172.431 0.300 . 1 . . . A 34 VAL C . 18388 1 355 . 1 1 34 34 VAL CA C 13 56.386 0.300 . 1 . . . A 34 VAL CA . 18388 1 356 . 1 1 34 34 VAL CB C 13 33.771 0.300 . 1 . . . A 34 VAL CB . 18388 1 357 . 1 1 34 34 VAL CG1 C 13 19.500 0.300 . 2 . . . A 34 VAL CG1 . 18388 1 358 . 1 1 34 34 VAL CG2 C 13 16.277 0.300 . 2 . . . A 34 VAL CG2 . 18388 1 359 . 1 1 34 34 VAL N N 15 121.673 0.300 . 1 . . . A 34 VAL N . 18388 1 360 . 1 1 35 35 SER H H 1 8.211 0.020 . 1 . . . A 35 SER H . 18388 1 361 . 1 1 35 35 SER HA H 1 4.383 0.020 . 1 . . . A 35 SER HA . 18388 1 362 . 1 1 35 35 SER HB2 H 1 3.802 0.020 . 2 . . . A 35 SER HB2 . 18388 1 363 . 1 1 35 35 SER HB3 H 1 3.925 0.020 . 2 . . . A 35 SER HB3 . 18388 1 364 . 1 1 35 35 SER C C 13 171.802 0.300 . 1 . . . A 35 SER C . 18388 1 365 . 1 1 35 35 SER CA C 13 58.272 0.300 . 1 . . . A 35 SER CA . 18388 1 366 . 1 1 35 35 SER CB C 13 60.316 0.300 . 1 . . . A 35 SER CB . 18388 1 367 . 1 1 35 35 SER N N 15 115.567 0.300 . 1 . . . A 35 SER N . 18388 1 368 . 1 1 36 36 GLY H H 1 9.139 0.020 . 1 . . . A 36 GLY H . 18388 1 369 . 1 1 36 36 GLY HA2 H 1 2.808 0.020 . 2 . . . A 36 GLY HA2 . 18388 1 370 . 1 1 36 36 GLY HA3 H 1 4.332 0.020 . 2 . . . A 36 GLY HA3 . 18388 1 371 . 1 1 36 36 GLY C C 13 170.141 0.300 . 1 . . . A 36 GLY C . 18388 1 372 . 1 1 36 36 GLY CA C 13 40.427 0.300 . 1 . . . A 36 GLY CA . 18388 1 373 . 1 1 36 36 GLY N N 15 113.901 0.300 . 1 . . . A 36 GLY N . 18388 1 374 . 1 1 37 37 LYS H H 1 8.397 0.020 . 1 . . . A 37 LYS H . 18388 1 375 . 1 1 37 37 LYS HA H 1 3.157 0.020 . 1 . . . A 37 LYS HA . 18388 1 376 . 1 1 37 37 LYS HB2 H 1 -0.578 0.020 . 2 . . . A 37 LYS HB2 . 18388 1 377 . 1 1 37 37 LYS HB3 H 1 0.891 0.020 . 2 . . . A 37 LYS HB3 . 18388 1 378 . 1 1 37 37 LYS HG2 H 1 0.307 0.020 . 2 . . . A 37 LYS HG2 . 18388 1 379 . 1 1 37 37 LYS HG3 H 1 0.747 0.020 . 2 . . . A 37 LYS HG3 . 18388 1 380 . 1 1 37 37 LYS HD2 H 1 0.464 0.020 . 2 . . . A 37 LYS HD2 . 18388 1 381 . 1 1 37 37 LYS HD3 H 1 0.655 0.020 . 2 . . . A 37 LYS HD3 . 18388 1 382 . 1 1 37 37 LYS HE2 H 1 2.501 0.020 . 2 . . . A 37 LYS HE2 . 18388 1 383 . 1 1 37 37 LYS HE3 H 1 2.501 0.020 . 2 . . . A 37 LYS HE3 . 18388 1 384 . 1 1 37 37 LYS C C 13 174.767 0.300 . 1 . . . A 37 LYS C . 18388 1 385 . 1 1 37 37 LYS CA C 13 55.258 0.300 . 1 . . . A 37 LYS CA . 18388 1 386 . 1 1 37 37 LYS CB C 13 29.133 0.300 . 1 . . . A 37 LYS CB . 18388 1 387 . 1 1 37 37 LYS CG C 13 21.222 0.300 . 1 . . . A 37 LYS CG . 18388 1 388 . 1 1 37 37 LYS CD C 13 24.997 0.300 . 1 . . . A 37 LYS CD . 18388 1 389 . 1 1 37 37 LYS CE C 13 39.297 0.300 . 1 . . . A 37 LYS CE . 18388 1 390 . 1 1 37 37 LYS N N 15 129.295 0.300 . 1 . . . A 37 LYS N . 18388 1 391 . 1 1 38 38 THR H H 1 7.329 0.020 . 1 . . . A 38 THR H . 18388 1 392 . 1 1 38 38 THR HA H 1 4.187 0.020 . 1 . . . A 38 THR HA . 18388 1 393 . 1 1 38 38 THR HB H 1 4.050 0.020 . 1 . . . A 38 THR HB . 18388 1 394 . 1 1 38 38 THR HG21 H 1 1.015 0.020 . . . . . A 38 THR HG21 . 18388 1 395 . 1 1 38 38 THR HG22 H 1 1.015 0.020 . . . . . A 38 THR HG22 . 18388 1 396 . 1 1 38 38 THR HG23 H 1 1.015 0.020 . . . . . A 38 THR HG23 . 18388 1 397 . 1 1 38 38 THR C C 13 171.554 0.300 . 1 . . . A 38 THR C . 18388 1 398 . 1 1 38 38 THR CA C 13 56.978 0.300 . 1 . . . A 38 THR CA . 18388 1 399 . 1 1 38 38 THR CB C 13 67.587 0.300 . 1 . . . A 38 THR CB . 18388 1 400 . 1 1 38 38 THR CG2 C 13 19.186 0.300 . 1 . . . A 38 THR CG2 . 18388 1 401 . 1 1 38 38 THR N N 15 109.702 0.300 . 1 . . . A 38 THR N . 18388 1 402 . 1 1 39 39 GLY HA2 H 1 4.174 0.020 . 2 . . . A 39 GLY HA2 . 18388 1 403 . 1 1 39 39 GLY HA3 H 1 4.331 0.020 . 2 . . . A 39 GLY HA3 . 18388 1 404 . 1 1 39 39 GLY C C 13 172.157 0.300 . 1 . . . A 39 GLY C . 18388 1 405 . 1 1 39 39 GLY CA C 13 43.730 0.300 . 1 . . . A 39 GLY CA . 18388 1 406 . 1 1 40 40 ASN H H 1 10.806 0.020 . 1 . . . A 40 ASN H . 18388 1 407 . 1 1 40 40 ASN HA H 1 5.328 0.020 . 1 . . . A 40 ASN HA . 18388 1 408 . 1 1 40 40 ASN HB2 H 1 2.799 0.020 . 2 . . . A 40 ASN HB2 . 18388 1 409 . 1 1 40 40 ASN HB3 H 1 3.016 0.020 . 2 . . . A 40 ASN HB3 . 18388 1 410 . 1 1 40 40 ASN HD21 H 1 7.408 0.020 . 2 . . . A 40 ASN HD21 . 18388 1 411 . 1 1 40 40 ASN HD22 H 1 6.864 0.020 . 2 . . . A 40 ASN HD22 . 18388 1 412 . 1 1 40 40 ASN C C 13 173.472 0.300 . 1 . . . A 40 ASN C . 18388 1 413 . 1 1 40 40 ASN CA C 13 50.075 0.300 . 1 . . . A 40 ASN CA . 18388 1 414 . 1 1 40 40 ASN CB C 13 37.921 0.300 . 1 . . . A 40 ASN CB . 18388 1 415 . 1 1 40 40 ASN CG C 13 173.410 0.300 . 1 . . . A 40 ASN CG . 18388 1 416 . 1 1 40 40 ASN N N 15 129.447 0.300 . 1 . . . A 40 ASN N . 18388 1 417 . 1 1 40 40 ASN ND2 N 15 112.130 0.300 . 1 . . . A 40 ASN ND2 . 18388 1 418 . 1 1 41 41 GLY H H 1 9.527 0.020 . 1 . . . A 41 GLY H . 18388 1 419 . 1 1 41 41 GLY HA2 H 1 3.102 0.020 . 2 . . . A 41 GLY HA2 . 18388 1 420 . 1 1 41 41 GLY HA3 H 1 4.301 0.020 . 2 . . . A 41 GLY HA3 . 18388 1 421 . 1 1 41 41 GLY C C 13 166.402 0.300 . 1 . . . A 41 GLY C . 18388 1 422 . 1 1 41 41 GLY CA C 13 41.543 0.300 . 1 . . . A 41 GLY CA . 18388 1 423 . 1 1 41 41 GLY N N 15 111.071 0.300 . 1 . . . A 41 GLY N . 18388 1 424 . 1 1 42 42 MET H H 1 7.365 0.020 . 1 . . . A 42 MET H . 18388 1 425 . 1 1 42 42 MET HA H 1 4.664 0.020 . 1 . . . A 42 MET HA . 18388 1 426 . 1 1 42 42 MET HB2 H 1 0.648 0.020 . 2 . . . A 42 MET HB2 . 18388 1 427 . 1 1 42 42 MET HB3 H 1 0.736 0.020 . 2 . . . A 42 MET HB3 . 18388 1 428 . 1 1 42 42 MET HG2 H 1 1.606 0.020 . 2 . . . A 42 MET HG2 . 18388 1 429 . 1 1 42 42 MET HG3 H 1 1.507 0.020 . 2 . . . A 42 MET HG3 . 18388 1 430 . 1 1 42 42 MET C C 13 170.893 0.300 . 1 . . . A 42 MET C . 18388 1 431 . 1 1 42 42 MET CA C 13 51.269 0.300 . 1 . . . A 42 MET CA . 18388 1 432 . 1 1 42 42 MET CB C 13 33.077 0.300 . 1 . . . A 42 MET CB . 18388 1 433 . 1 1 42 42 MET CG C 13 28.149 0.300 . 1 . . . A 42 MET CG . 18388 1 434 . 1 1 42 42 MET N N 15 118.852 0.300 . 1 . . . A 42 MET N . 18388 1 435 . 1 1 43 43 GLU H H 1 9.209 0.020 . 1 . . . A 43 GLU H . 18388 1 436 . 1 1 43 43 GLU HA H 1 4.660 0.020 . 1 . . . A 43 GLU HA . 18388 1 437 . 1 1 43 43 GLU HB2 H 1 1.718 0.020 . 2 . . . A 43 GLU HB2 . 18388 1 438 . 1 1 43 43 GLU HB3 H 1 1.537 0.020 . 2 . . . A 43 GLU HB3 . 18388 1 439 . 1 1 43 43 GLU HG2 H 1 1.371 0.020 . 2 . . . A 43 GLU HG2 . 18388 1 440 . 1 1 43 43 GLU HG3 H 1 1.826 0.020 . 2 . . . A 43 GLU HG3 . 18388 1 441 . 1 1 43 43 GLU C C 13 172.450 0.300 . 1 . . . A 43 GLU C . 18388 1 442 . 1 1 43 43 GLU CA C 13 51.351 0.300 . 1 . . . A 43 GLU CA . 18388 1 443 . 1 1 43 43 GLU CB C 13 30.098 0.300 . 1 . . . A 43 GLU CB . 18388 1 444 . 1 1 43 43 GLU CG C 13 39.450 0.300 . 1 . . . A 43 GLU CG . 18388 1 445 . 1 1 43 43 GLU N N 15 128.010 0.300 . 1 . . . A 43 GLU N . 18388 1 446 . 1 1 44 44 VAL H H 1 8.875 0.020 . 1 . . . A 44 VAL H . 18388 1 447 . 1 1 44 44 VAL HA H 1 4.158 0.020 . 1 . . . A 44 VAL HA . 18388 1 448 . 1 1 44 44 VAL HB H 1 0.066 0.020 . 1 . . . A 44 VAL HB . 18388 1 449 . 1 1 44 44 VAL HG11 H 1 0.204 0.020 . . . . . A 44 VAL HG11 . 18388 1 450 . 1 1 44 44 VAL HG12 H 1 0.204 0.020 . . . . . A 44 VAL HG12 . 18388 1 451 . 1 1 44 44 VAL HG13 H 1 0.204 0.020 . . . . . A 44 VAL HG13 . 18388 1 452 . 1 1 44 44 VAL HG21 H 1 0.370 0.020 . . . . . A 44 VAL HG21 . 18388 1 453 . 1 1 44 44 VAL HG22 H 1 0.370 0.020 . . . . . A 44 VAL HG22 . 18388 1 454 . 1 1 44 44 VAL HG23 H 1 0.370 0.020 . . . . . A 44 VAL HG23 . 18388 1 455 . 1 1 44 44 VAL C C 13 171.459 0.300 . 1 . . . A 44 VAL C . 18388 1 456 . 1 1 44 44 VAL CA C 13 58.082 0.300 . 1 . . . A 44 VAL CA . 18388 1 457 . 1 1 44 44 VAL CB C 13 28.634 0.300 . 1 . . . A 44 VAL CB . 18388 1 458 . 1 1 44 44 VAL CG1 C 13 19.130 0.300 . 2 . . . A 44 VAL CG1 . 18388 1 459 . 1 1 44 44 VAL CG2 C 13 18.248 0.300 . 2 . . . A 44 VAL CG2 . 18388 1 460 . 1 1 44 44 VAL N N 15 131.323 0.300 . 1 . . . A 44 VAL N . 18388 1 461 . 1 1 45 45 SER H H 1 8.367 0.020 . 1 . . . A 45 SER H . 18388 1 462 . 1 1 45 45 SER HA H 1 4.765 0.020 . 1 . . . A 45 SER HA . 18388 1 463 . 1 1 45 45 SER HB2 H 1 3.408 0.020 . 2 . . . A 45 SER HB2 . 18388 1 464 . 1 1 45 45 SER HB3 H 1 3.524 0.020 . 2 . . . A 45 SER HB3 . 18388 1 465 . 1 1 45 45 SER C C 13 170.275 0.300 . 1 . . . A 45 SER C . 18388 1 466 . 1 1 45 45 SER CA C 13 53.422 0.300 . 1 . . . A 45 SER CA . 18388 1 467 . 1 1 45 45 SER CB C 13 61.255 0.300 . 1 . . . A 45 SER CB . 18388 1 468 . 1 1 45 45 SER N N 15 120.580 0.300 . 1 . . . A 45 SER N . 18388 1 469 . 1 1 46 46 TYR H H 1 8.334 0.020 . 1 . . . A 46 TYR H . 18388 1 470 . 1 1 46 46 TYR HA H 1 5.102 0.020 . 1 . . . A 46 TYR HA . 18388 1 471 . 1 1 46 46 TYR HB2 H 1 0.883 0.020 . 2 . . . A 46 TYR HB2 . 18388 1 472 . 1 1 46 46 TYR HB3 H 1 0.883 0.020 . 2 . . . A 46 TYR HB3 . 18388 1 473 . 1 1 46 46 TYR HD1 H 1 6.014 0.020 . 3 . . . A 46 TYR HD1 . 18388 1 474 . 1 1 46 46 TYR HD2 H 1 6.014 0.020 . 3 . . . A 46 TYR HD2 . 18388 1 475 . 1 1 46 46 TYR HE1 H 1 6.646 0.020 . 3 . . . A 46 TYR HE1 . 18388 1 476 . 1 1 46 46 TYR HE2 H 1 6.646 0.020 . 3 . . . A 46 TYR HE2 . 18388 1 477 . 1 1 46 46 TYR C C 13 171.426 0.300 . 1 . . . A 46 TYR C . 18388 1 478 . 1 1 46 46 TYR CA C 13 52.054 0.300 . 1 . . . A 46 TYR CA . 18388 1 479 . 1 1 46 46 TYR CB C 13 37.217 0.300 . 1 . . . A 46 TYR CB . 18388 1 480 . 1 1 46 46 TYR CD1 C 13 131.329 0.300 . 3 . . . A 46 TYR CD1 . 18388 1 481 . 1 1 46 46 TYR CE1 C 13 111.897 0.300 . 3 . . . A 46 TYR CE1 . 18388 1 482 . 1 1 46 46 TYR N N 15 123.307 0.300 . 1 . . . A 46 TYR N . 18388 1 483 . 1 1 47 47 THR H H 1 8.787 0.020 . 1 . . . A 47 THR H . 18388 1 484 . 1 1 47 47 THR HA H 1 4.588 0.020 . 1 . . . A 47 THR HA . 18388 1 485 . 1 1 47 47 THR HB H 1 3.818 0.020 . 1 . . . A 47 THR HB . 18388 1 486 . 1 1 47 47 THR HG21 H 1 1.107 0.020 . . . . . A 47 THR HG21 . 18388 1 487 . 1 1 47 47 THR HG22 H 1 1.107 0.020 . . . . . A 47 THR HG22 . 18388 1 488 . 1 1 47 47 THR HG23 H 1 1.107 0.020 . . . . . A 47 THR HG23 . 18388 1 489 . 1 1 47 47 THR C C 13 171.383 0.300 . 1 . . . A 47 THR C . 18388 1 490 . 1 1 47 47 THR CA C 13 57.858 0.300 . 1 . . . A 47 THR CA . 18388 1 491 . 1 1 47 47 THR CB C 13 68.591 0.300 . 1 . . . A 47 THR CB . 18388 1 492 . 1 1 47 47 THR CG2 C 13 18.280 0.300 . 1 . . . A 47 THR CG2 . 18388 1 493 . 1 1 47 47 THR N N 15 118.464 0.300 . 1 . . . A 47 THR N . 18388 1 494 . 1 1 48 48 GLY H H 1 7.539 0.020 . 1 . . . A 48 GLY H . 18388 1 495 . 1 1 48 48 GLY HA2 H 1 3.701 0.020 . 2 . . . A 48 GLY HA2 . 18388 1 496 . 1 1 48 48 GLY HA3 H 1 4.662 0.020 . 2 . . . A 48 GLY HA3 . 18388 1 497 . 1 1 48 48 GLY C C 13 170.390 0.300 . 1 . . . A 48 GLY C . 18388 1 498 . 1 1 48 48 GLY CA C 13 42.053 0.300 . 1 . . . A 48 GLY CA . 18388 1 499 . 1 1 48 48 GLY N N 15 112.382 0.300 . 1 . . . A 48 GLY N . 18388 1 500 . 1 1 49 49 THR H H 1 7.897 0.020 . 1 . . . A 49 THR H . 18388 1 501 . 1 1 49 49 THR HA H 1 4.706 0.020 . 1 . . . A 49 THR HA . 18388 1 502 . 1 1 49 49 THR HB H 1 4.503 0.020 . 1 . . . A 49 THR HB . 18388 1 503 . 1 1 49 49 THR HG21 H 1 0.959 0.020 . . . . . A 49 THR HG21 . 18388 1 504 . 1 1 49 49 THR HG22 H 1 0.959 0.020 . . . . . A 49 THR HG22 . 18388 1 505 . 1 1 49 49 THR HG23 H 1 0.959 0.020 . . . . . A 49 THR HG23 . 18388 1 506 . 1 1 49 49 THR C C 13 172.345 0.300 . 1 . . . A 49 THR C . 18388 1 507 . 1 1 49 49 THR CA C 13 57.111 0.300 . 1 . . . A 49 THR CA . 18388 1 508 . 1 1 49 49 THR CB C 13 69.501 0.300 . 1 . . . A 49 THR CB . 18388 1 509 . 1 1 49 49 THR CG2 C 13 20.247 0.300 . 1 . . . A 49 THR CG2 . 18388 1 510 . 1 1 49 49 THR N N 15 106.661 0.300 . 1 . . . A 49 THR N . 18388 1 511 . 1 1 50 50 THR H H 1 8.739 0.020 . 1 . . . A 50 THR H . 18388 1 512 . 1 1 50 50 THR HA H 1 3.909 0.020 . 1 . . . A 50 THR HA . 18388 1 513 . 1 1 50 50 THR HB H 1 4.085 0.020 . 1 . . . A 50 THR HB . 18388 1 514 . 1 1 50 50 THR HG21 H 1 1.236 0.020 . . . . . A 50 THR HG21 . 18388 1 515 . 1 1 50 50 THR HG22 H 1 1.236 0.020 . . . . . A 50 THR HG22 . 18388 1 516 . 1 1 50 50 THR HG23 H 1 1.236 0.020 . . . . . A 50 THR HG23 . 18388 1 517 . 1 1 50 50 THR C C 13 172.491 0.300 . 1 . . . A 50 THR C . 18388 1 518 . 1 1 50 50 THR CA C 13 64.451 0.300 . 1 . . . A 50 THR CA . 18388 1 519 . 1 1 50 50 THR CB C 13 66.225 0.300 . 1 . . . A 50 THR CB . 18388 1 520 . 1 1 50 50 THR CG2 C 13 19.273 0.300 . 1 . . . A 50 THR CG2 . 18388 1 521 . 1 1 50 50 THR N N 15 118.387 0.300 . 1 . . . A 50 THR N . 18388 1 522 . 1 1 51 51 ASP H H 1 8.562 0.020 . 1 . . . A 51 ASP H . 18388 1 523 . 1 1 51 51 ASP HA H 1 4.800 0.020 . 1 . . . A 51 ASP HA . 18388 1 524 . 1 1 51 51 ASP HB2 H 1 2.582 0.020 . 2 . . . A 51 ASP HB2 . 18388 1 525 . 1 1 51 51 ASP HB3 H 1 2.834 0.020 . 2 . . . A 51 ASP HB3 . 18388 1 526 . 1 1 51 51 ASP C C 13 172.713 0.300 . 1 . . . A 51 ASP C . 18388 1 527 . 1 1 51 51 ASP CA C 13 52.027 0.300 . 1 . . . A 51 ASP CA . 18388 1 528 . 1 1 51 51 ASP CB C 13 38.434 0.300 . 1 . . . A 51 ASP CB . 18388 1 529 . 1 1 51 51 ASP N N 15 117.881 0.300 . 1 . . . A 51 ASP N . 18388 1 530 . 1 1 52 52 GLY H H 1 7.486 0.020 . 1 . . . A 52 GLY H . 18388 1 531 . 1 1 52 52 GLY HA2 H 1 3.559 0.020 . 2 . . . A 52 GLY HA2 . 18388 1 532 . 1 1 52 52 GLY HA3 H 1 4.160 0.020 . 2 . . . A 52 GLY HA3 . 18388 1 533 . 1 1 52 52 GLY C C 13 169.555 0.300 . 1 . . . A 52 GLY C . 18388 1 534 . 1 1 52 52 GLY CA C 13 42.765 0.300 . 1 . . . A 52 GLY CA . 18388 1 535 . 1 1 52 52 GLY N N 15 107.214 0.300 . 1 . . . A 52 GLY N . 18388 1 536 . 1 1 53 53 TYR H H 1 6.745 0.020 . 1 . . . A 53 TYR H . 18388 1 537 . 1 1 53 53 TYR HA H 1 3.384 0.020 . 1 . . . A 53 TYR HA . 18388 1 538 . 1 1 53 53 TYR HB2 H 1 2.199 0.020 . 2 . . . A 53 TYR HB2 . 18388 1 539 . 1 1 53 53 TYR HB3 H 1 2.199 0.020 . 2 . . . A 53 TYR HB3 . 18388 1 540 . 1 1 53 53 TYR HD1 H 1 7.102 0.020 . 3 . . . A 53 TYR HD1 . 18388 1 541 . 1 1 53 53 TYR HD2 H 1 7.102 0.020 . 3 . . . A 53 TYR HD2 . 18388 1 542 . 1 1 53 53 TYR HE1 H 1 6.691 0.020 . 3 . . . A 53 TYR HE1 . 18388 1 543 . 1 1 53 53 TYR HE2 H 1 6.691 0.020 . 3 . . . A 53 TYR HE2 . 18388 1 544 . 1 1 53 53 TYR C C 13 168.920 0.300 . 1 . . . A 53 TYR C . 18388 1 545 . 1 1 53 53 TYR CA C 13 51.826 0.300 . 1 . . . A 53 TYR CA . 18388 1 546 . 1 1 53 53 TYR CB C 13 38.843 0.300 . 1 . . . A 53 TYR CB . 18388 1 547 . 1 1 53 53 TYR CD1 C 13 129.180 0.300 . 3 . . . A 53 TYR CD1 . 18388 1 548 . 1 1 53 53 TYR CE1 C 13 116.053 0.300 . 3 . . . A 53 TYR CE1 . 18388 1 549 . 1 1 53 53 TYR N N 15 112.696 0.300 . 1 . . . A 53 TYR N . 18388 1 550 . 1 1 54 54 TRP H H 1 6.210 0.020 . 1 . . . A 54 TRP H . 18388 1 551 . 1 1 54 54 TRP HA H 1 5.176 0.020 . 1 . . . A 54 TRP HA . 18388 1 552 . 1 1 54 54 TRP HB2 H 1 3.126 0.020 . 2 . . . A 54 TRP HB2 . 18388 1 553 . 1 1 54 54 TRP HB3 H 1 2.916 0.020 . 2 . . . A 54 TRP HB3 . 18388 1 554 . 1 1 54 54 TRP HD1 H 1 6.918 0.020 . 1 . . . A 54 TRP HD1 . 18388 1 555 . 1 1 54 54 TRP HE1 H 1 10.864 0.020 . 1 . . . A 54 TRP HE1 . 18388 1 556 . 1 1 54 54 TRP HE3 H 1 6.472 0.020 . 1 . . . A 54 TRP HE3 . 18388 1 557 . 1 1 54 54 TRP HZ2 H 1 6.193 0.020 . 1 . . . A 54 TRP HZ2 . 18388 1 558 . 1 1 54 54 TRP HZ3 H 1 6.681 0.020 . 1 . . . A 54 TRP HZ3 . 18388 1 559 . 1 1 54 54 TRP C C 13 170.886 0.300 . 1 . . . A 54 TRP C . 18388 1 560 . 1 1 54 54 TRP CA C 13 52.083 0.300 . 1 . . . A 54 TRP CA . 18388 1 561 . 1 1 54 54 TRP CB C 13 29.623 0.300 . 1 . . . A 54 TRP CB . 18388 1 562 . 1 1 54 54 TRP CD1 C 13 123.402 0.300 . 1 . . . A 54 TRP CD1 . 18388 1 563 . 1 1 54 54 TRP CE3 C 13 120.254 0.300 . 1 . . . A 54 TRP CE3 . 18388 1 564 . 1 1 54 54 TRP CZ2 C 13 112.490 0.300 . 1 . . . A 54 TRP CZ2 . 18388 1 565 . 1 1 54 54 TRP N N 15 112.565 0.300 . 1 . . . A 54 TRP N . 18388 1 566 . 1 1 54 54 TRP NE1 N 15 133.318 0.300 . 1 . . . A 54 TRP NE1 . 18388 1 567 . 1 1 55 55 GLY H H 1 8.512 0.020 . 1 . . . A 55 GLY H . 18388 1 568 . 1 1 55 55 GLY HA2 H 1 3.692 0.020 . 2 . . . A 55 GLY HA2 . 18388 1 569 . 1 1 55 55 GLY HA3 H 1 4.728 0.020 . 2 . . . A 55 GLY HA3 . 18388 1 570 . 1 1 55 55 GLY C C 13 167.661 0.300 . 1 . . . A 55 GLY C . 18388 1 571 . 1 1 55 55 GLY CA C 13 43.201 0.300 . 1 . . . A 55 GLY CA . 18388 1 572 . 1 1 55 55 GLY N N 15 108.401 0.300 . 1 . . . A 55 GLY N . 18388 1 573 . 1 1 56 56 THR H H 1 9.346 0.020 . 1 . . . A 56 THR H . 18388 1 574 . 1 1 56 56 THR HA H 1 5.692 0.020 . 1 . . . A 56 THR HA . 18388 1 575 . 1 1 56 56 THR HB H 1 4.175 0.020 . 1 . . . A 56 THR HB . 18388 1 576 . 1 1 56 56 THR HG21 H 1 1.455 0.020 . . . . . A 56 THR HG21 . 18388 1 577 . 1 1 56 56 THR HG22 H 1 1.455 0.020 . . . . . A 56 THR HG22 . 18388 1 578 . 1 1 56 56 THR HG23 H 1 1.455 0.020 . . . . . A 56 THR HG23 . 18388 1 579 . 1 1 56 56 THR C C 13 170.091 0.300 . 1 . . . A 56 THR C . 18388 1 580 . 1 1 56 56 THR CA C 13 56.843 0.300 . 1 . . . A 56 THR CA . 18388 1 581 . 1 1 56 56 THR CB C 13 68.755 0.300 . 1 . . . A 56 THR CB . 18388 1 582 . 1 1 56 56 THR CG2 C 13 18.396 0.300 . 1 . . . A 56 THR CG2 . 18388 1 583 . 1 1 56 56 THR N N 15 113.411 0.300 . 1 . . . A 56 THR N . 18388 1 584 . 1 1 57 57 VAL H H 1 8.773 0.020 . 1 . . . A 57 VAL H . 18388 1 585 . 1 1 57 57 VAL HA H 1 5.286 0.020 . 1 . . . A 57 VAL HA . 18388 1 586 . 1 1 57 57 VAL HB H 1 1.605 0.020 . 1 . . . A 57 VAL HB . 18388 1 587 . 1 1 57 57 VAL HG11 H 1 0.175 0.020 . . . . . A 57 VAL HG11 . 18388 1 588 . 1 1 57 57 VAL HG12 H 1 0.175 0.020 . . . . . A 57 VAL HG12 . 18388 1 589 . 1 1 57 57 VAL HG13 H 1 0.175 0.020 . . . . . A 57 VAL HG13 . 18388 1 590 . 1 1 57 57 VAL HG21 H 1 0.860 0.020 . . . . . A 57 VAL HG21 . 18388 1 591 . 1 1 57 57 VAL HG22 H 1 0.860 0.020 . . . . . A 57 VAL HG22 . 18388 1 592 . 1 1 57 57 VAL HG23 H 1 0.860 0.020 . . . . . A 57 VAL HG23 . 18388 1 593 . 1 1 57 57 VAL C C 13 168.948 0.300 . 1 . . . A 57 VAL C . 18388 1 594 . 1 1 57 57 VAL CA C 13 55.687 0.300 . 1 . . . A 57 VAL CA . 18388 1 595 . 1 1 57 57 VAL CB C 13 33.066 0.300 . 1 . . . A 57 VAL CB . 18388 1 596 . 1 1 57 57 VAL CG1 C 13 18.812 0.300 . 2 . . . A 57 VAL CG1 . 18388 1 597 . 1 1 57 57 VAL CG2 C 13 14.626 0.300 . 2 . . . A 57 VAL CG2 . 18388 1 598 . 1 1 57 57 VAL N N 15 123.444 0.300 . 1 . . . A 57 VAL N . 18388 1 599 . 1 1 58 58 TYR H H 1 8.446 0.020 . 1 . . . A 58 TYR H . 18388 1 600 . 1 1 58 58 TYR HA H 1 4.399 0.020 . 1 . . . A 58 TYR HA . 18388 1 601 . 1 1 58 58 TYR HB2 H 1 -0.024 0.020 . 2 . . . A 58 TYR HB2 . 18388 1 602 . 1 1 58 58 TYR HB3 H 1 1.677 0.020 . 2 . . . A 58 TYR HB3 . 18388 1 603 . 1 1 58 58 TYR HD1 H 1 6.406 0.020 . 3 . . . A 58 TYR HD1 . 18388 1 604 . 1 1 58 58 TYR HD2 H 1 6.406 0.020 . 3 . . . A 58 TYR HD2 . 18388 1 605 . 1 1 58 58 TYR HE1 H 1 6.568 0.020 . 3 . . . A 58 TYR HE1 . 18388 1 606 . 1 1 58 58 TYR HE2 H 1 6.568 0.020 . 3 . . . A 58 TYR HE2 . 18388 1 607 . 1 1 58 58 TYR C C 13 171.811 0.300 . 1 . . . A 58 TYR C . 18388 1 608 . 1 1 58 58 TYR CA C 13 50.946 0.300 . 1 . . . A 58 TYR CA . 18388 1 609 . 1 1 58 58 TYR CB C 13 34.494 0.300 . 1 . . . A 58 TYR CB . 18388 1 610 . 1 1 58 58 TYR CD2 C 13 128.789 0.300 . 3 . . . A 58 TYR CD2 . 18388 1 611 . 1 1 58 58 TYR CE2 C 13 114.648 0.300 . 3 . . . A 58 TYR CE2 . 18388 1 612 . 1 1 58 58 TYR N N 15 130.962 0.300 . 1 . . . A 58 TYR N . 18388 1 613 . 1 1 59 59 SER H H 1 8.134 0.020 . 1 . . . A 59 SER H . 18388 1 614 . 1 1 59 59 SER HA H 1 4.106 0.020 . 1 . . . A 59 SER HA . 18388 1 615 . 1 1 59 59 SER HB2 H 1 3.473 0.020 . 2 . . . A 59 SER HB2 . 18388 1 616 . 1 1 59 59 SER HB3 H 1 3.626 0.020 . 2 . . . A 59 SER HB3 . 18388 1 617 . 1 1 59 59 SER C C 13 170.628 0.300 . 1 . . . A 59 SER C . 18388 1 618 . 1 1 59 59 SER CA C 13 55.201 0.300 . 1 . . . A 59 SER CA . 18388 1 619 . 1 1 59 59 SER CB C 13 59.629 0.300 . 1 . . . A 59 SER CB . 18388 1 620 . 1 1 59 59 SER N N 15 122.943 0.300 . 1 . . . A 59 SER N . 18388 1 621 . 1 1 60 60 LEU H H 1 7.663 0.020 . 1 . . . A 60 LEU H . 18388 1 622 . 1 1 60 60 LEU HA H 1 3.962 0.020 . 1 . . . A 60 LEU HA . 18388 1 623 . 1 1 60 60 LEU HB2 H 1 1.174 0.020 . 2 . . . A 60 LEU HB2 . 18388 1 624 . 1 1 60 60 LEU HB3 H 1 1.174 0.020 . 2 . . . A 60 LEU HB3 . 18388 1 625 . 1 1 60 60 LEU HG H 1 1.394 0.020 . 1 . . . A 60 LEU HG . 18388 1 626 . 1 1 60 60 LEU HD11 H 1 0.799 0.020 . . . . . A 60 LEU HD11 . 18388 1 627 . 1 1 60 60 LEU HD12 H 1 0.799 0.020 . . . . . A 60 LEU HD12 . 18388 1 628 . 1 1 60 60 LEU HD13 H 1 0.799 0.020 . . . . . A 60 LEU HD13 . 18388 1 629 . 1 1 60 60 LEU HD21 H 1 0.638 0.020 . . . . . A 60 LEU HD21 . 18388 1 630 . 1 1 60 60 LEU HD22 H 1 0.638 0.020 . . . . . A 60 LEU HD22 . 18388 1 631 . 1 1 60 60 LEU HD23 H 1 0.638 0.020 . . . . . A 60 LEU HD23 . 18388 1 632 . 1 1 60 60 LEU C C 13 174.212 0.300 . 1 . . . A 60 LEU C . 18388 1 633 . 1 1 60 60 LEU CA C 13 49.918 0.300 . 1 . . . A 60 LEU CA . 18388 1 634 . 1 1 60 60 LEU CB C 13 39.095 0.300 . 1 . . . A 60 LEU CB . 18388 1 635 . 1 1 60 60 LEU CG C 13 24.139 0.300 . 1 . . . A 60 LEU CG . 18388 1 636 . 1 1 60 60 LEU CD1 C 13 19.741 0.300 . 2 . . . A 60 LEU CD1 . 18388 1 637 . 1 1 60 60 LEU CD2 C 13 20.735 0.300 . 2 . . . A 60 LEU CD2 . 18388 1 638 . 1 1 60 60 LEU N N 15 127.052 0.300 . 1 . . . A 60 LEU N . 18388 1 639 . 1 1 61 61 PRO HA H 1 4.356 0.020 . 1 . . . A 61 PRO HA . 18388 1 640 . 1 1 61 61 PRO HB2 H 1 2.243 0.020 . 2 . . . A 61 PRO HB2 . 18388 1 641 . 1 1 61 61 PRO HB3 H 1 1.945 0.020 . 2 . . . A 61 PRO HB3 . 18388 1 642 . 1 1 61 61 PRO HD2 H 1 3.742 0.020 . 2 . . . A 61 PRO HD2 . 18388 1 643 . 1 1 61 61 PRO HD3 H 1 3.884 0.020 . 2 . . . A 61 PRO HD3 . 18388 1 644 . 1 1 61 61 PRO C C 13 173.235 0.300 . 1 . . . A 61 PRO C . 18388 1 645 . 1 1 61 61 PRO CA C 13 61.138 0.300 . 1 . . . A 61 PRO CA . 18388 1 646 . 1 1 61 61 PRO CB C 13 29.071 0.300 . 1 . . . A 61 PRO CB . 18388 1 647 . 1 1 61 61 PRO CG C 13 24.436 0.300 . 1 . . . A 61 PRO CG . 18388 1 648 . 1 1 61 61 PRO CD C 13 47.975 0.300 . 1 . . . A 61 PRO CD . 18388 1 649 . 1 1 62 62 ASP H H 1 6.803 0.020 . 1 . . . A 62 ASP H . 18388 1 650 . 1 1 62 62 ASP HA H 1 4.601 0.020 . 1 . . . A 62 ASP HA . 18388 1 651 . 1 1 62 62 ASP HB2 H 1 2.712 0.020 . 2 . . . A 62 ASP HB2 . 18388 1 652 . 1 1 62 62 ASP HB3 H 1 2.623 0.020 . 2 . . . A 62 ASP HB3 . 18388 1 653 . 1 1 62 62 ASP C C 13 172.630 0.300 . 1 . . . A 62 ASP C . 18388 1 654 . 1 1 62 62 ASP CA C 13 50.488 0.300 . 1 . . . A 62 ASP CA . 18388 1 655 . 1 1 62 62 ASP CB C 13 39.854 0.300 . 1 . . . A 62 ASP CB . 18388 1 656 . 1 1 62 62 ASP N N 15 115.716 0.300 . 1 . . . A 62 ASP N . 18388 1 657 . 1 1 63 63 GLY H H 1 8.317 0.020 . 1 . . . A 63 GLY H . 18388 1 658 . 1 1 63 63 GLY HA2 H 1 3.929 0.020 . 2 . . . A 63 GLY HA2 . 18388 1 659 . 1 1 63 63 GLY HA3 H 1 3.688 0.020 . 2 . . . A 63 GLY HA3 . 18388 1 660 . 1 1 63 63 GLY C C 13 170.109 0.300 . 1 . . . A 63 GLY C . 18388 1 661 . 1 1 63 63 GLY CA C 13 42.805 0.300 . 1 . . . A 63 GLY CA . 18388 1 662 . 1 1 63 63 GLY N N 15 112.661 0.300 . 1 . . . A 63 GLY N . 18388 1 663 . 1 1 64 64 ASP H H 1 7.648 0.020 . 1 . . . A 64 ASP H . 18388 1 664 . 1 1 64 64 ASP HA H 1 5.097 0.020 . 1 . . . A 64 ASP HA . 18388 1 665 . 1 1 64 64 ASP HB2 H 1 2.532 0.020 . 2 . . . A 64 ASP HB2 . 18388 1 666 . 1 1 64 64 ASP HB3 H 1 3.096 0.020 . 2 . . . A 64 ASP HB3 . 18388 1 667 . 1 1 64 64 ASP C C 13 174.212 0.300 . 1 . . . A 64 ASP C . 18388 1 668 . 1 1 64 64 ASP CA C 13 49.918 0.300 . 1 . . . A 64 ASP CA . 18388 1 669 . 1 1 64 64 ASP CB C 13 36.885 0.300 . 1 . . . A 64 ASP CB . 18388 1 670 . 1 1 64 64 ASP N N 15 114.863 0.300 . 1 . . . A 64 ASP N . 18388 1 671 . 1 1 65 65 TRP H H 1 9.555 0.020 . 1 . . . A 65 TRP H . 18388 1 672 . 1 1 65 65 TRP HA H 1 5.181 0.020 . 1 . . . A 65 TRP HA . 18388 1 673 . 1 1 65 65 TRP HB2 H 1 3.079 0.020 . 2 . . . A 65 TRP HB2 . 18388 1 674 . 1 1 65 65 TRP HB3 H 1 3.587 0.020 . 2 . . . A 65 TRP HB3 . 18388 1 675 . 1 1 65 65 TRP HD1 H 1 6.605 0.020 . 1 . . . A 65 TRP HD1 . 18388 1 676 . 1 1 65 65 TRP HE1 H 1 9.668 0.020 . 1 . . . A 65 TRP HE1 . 18388 1 677 . 1 1 65 65 TRP HE3 H 1 6.963 0.020 . 1 . . . A 65 TRP HE3 . 18388 1 678 . 1 1 65 65 TRP HZ2 H 1 7.100 0.020 . 1 . . . A 65 TRP HZ2 . 18388 1 679 . 1 1 65 65 TRP HZ3 H 1 6.762 0.020 . 1 . . . A 65 TRP HZ3 . 18388 1 680 . 1 1 65 65 TRP C C 13 173.655 0.300 . 1 . . . A 65 TRP C . 18388 1 681 . 1 1 65 65 TRP CA C 13 51.834 0.300 . 1 . . . A 65 TRP CA . 18388 1 682 . 1 1 65 65 TRP CB C 13 26.485 0.300 . 1 . . . A 65 TRP CB . 18388 1 683 . 1 1 65 65 TRP CD1 C 13 118.873 0.300 . 1 . . . A 65 TRP CD1 . 18388 1 684 . 1 1 65 65 TRP CE3 C 13 121.052 0.300 . 1 . . . A 65 TRP CE3 . 18388 1 685 . 1 1 65 65 TRP CZ2 C 13 111.642 0.300 . 1 . . . A 65 TRP CZ2 . 18388 1 686 . 1 1 65 65 TRP CZ3 C 13 117.140 0.300 . 1 . . . A 65 TRP CZ3 . 18388 1 687 . 1 1 65 65 TRP N N 15 130.890 0.300 . 1 . . . A 65 TRP N . 18388 1 688 . 1 1 65 65 TRP NE1 N 15 125.070 0.300 . 1 . . . A 65 TRP NE1 . 18388 1 689 . 1 1 66 66 SER H H 1 8.376 0.020 . 1 . . . A 66 SER H . 18388 1 690 . 1 1 66 66 SER HA H 1 3.824 0.020 . 1 . . . A 66 SER HA . 18388 1 691 . 1 1 66 66 SER HB2 H 1 3.648 0.020 . 2 . . . A 66 SER HB2 . 18388 1 692 . 1 1 66 66 SER HB3 H 1 3.486 0.020 . 2 . . . A 66 SER HB3 . 18388 1 693 . 1 1 66 66 SER CA C 13 59.471 0.300 . 1 . . . A 66 SER CA . 18388 1 694 . 1 1 66 66 SER CB C 13 60.352 0.300 . 1 . . . A 66 SER CB . 18388 1 695 . 1 1 66 66 SER N N 15 113.932 0.300 . 1 . . . A 66 SER N . 18388 1 696 . 1 1 67 67 LYS C C 13 172.533 0.300 . 1 . . . A 67 LYS C . 18388 1 697 . 1 1 68 68 TRP H H 1 7.864 0.020 . 1 . . . A 68 TRP H . 18388 1 698 . 1 1 68 68 TRP HA H 1 4.920 0.020 . 1 . . . A 68 TRP HA . 18388 1 699 . 1 1 68 68 TRP HB2 H 1 3.085 0.020 . 2 . . . A 68 TRP HB2 . 18388 1 700 . 1 1 68 68 TRP HB3 H 1 3.287 0.020 . 2 . . . A 68 TRP HB3 . 18388 1 701 . 1 1 68 68 TRP HD1 H 1 6.758 0.020 . 1 . . . A 68 TRP HD1 . 18388 1 702 . 1 1 68 68 TRP C C 13 171.727 0.300 . 1 . . . A 68 TRP C . 18388 1 703 . 1 1 68 68 TRP CA C 13 53.278 0.300 . 1 . . . A 68 TRP CA . 18388 1 704 . 1 1 68 68 TRP CB C 13 33.263 0.300 . 1 . . . A 68 TRP CB . 18388 1 705 . 1 1 68 68 TRP N N 15 121.153 0.300 . 1 . . . A 68 TRP N . 18388 1 706 . 1 1 69 69 LEU C C 13 175.012 0.300 . 1 . . . A 69 LEU C . 18388 1 707 . 1 1 69 69 LEU CA C 13 53.408 0.300 . 1 . . . A 69 LEU CA . 18388 1 708 . 1 1 69 69 LEU CB C 13 43.978 0.300 . 1 . . . A 69 LEU CB . 18388 1 709 . 1 1 70 70 LYS H H 1 8.154 0.020 . 1 . . . A 70 LYS H . 18388 1 710 . 1 1 70 70 LYS HA H 1 4.200 0.020 . 1 . . . A 70 LYS HA . 18388 1 711 . 1 1 70 70 LYS HB2 H 1 1.242 0.020 . 2 . . . A 70 LYS HB2 . 18388 1 712 . 1 1 70 70 LYS HB3 H 1 1.177 0.020 . 2 . . . A 70 LYS HB3 . 18388 1 713 . 1 1 70 70 LYS HG2 H 1 1.033 0.020 . 2 . . . A 70 LYS HG2 . 18388 1 714 . 1 1 70 70 LYS HG3 H 1 1.033 0.020 . 2 . . . A 70 LYS HG3 . 18388 1 715 . 1 1 70 70 LYS HD2 H 1 1.247 0.020 . 2 . . . A 70 LYS HD2 . 18388 1 716 . 1 1 70 70 LYS HD3 H 1 1.319 0.020 . 2 . . . A 70 LYS HD3 . 18388 1 717 . 1 1 70 70 LYS C C 13 169.739 0.300 . 1 . . . A 70 LYS C . 18388 1 718 . 1 1 70 70 LYS CA C 13 50.494 0.300 . 1 . . . A 70 LYS CA . 18388 1 719 . 1 1 70 70 LYS CB C 13 34.661 0.300 . 1 . . . A 70 LYS CB . 18388 1 720 . 1 1 70 70 LYS CG C 13 21.623 0.300 . 1 . . . A 70 LYS CG . 18388 1 721 . 1 1 70 70 LYS CD C 13 27.835 0.300 . 1 . . . A 70 LYS CD . 18388 1 722 . 1 1 70 70 LYS CE C 13 39.236 0.300 . 1 . . . A 70 LYS CE . 18388 1 723 . 1 1 70 70 LYS N N 15 117.211 0.300 . 1 . . . A 70 LYS N . 18388 1 724 . 1 1 71 71 ILE H H 1 7.637 0.020 . 1 . . . A 71 ILE H . 18388 1 725 . 1 1 71 71 ILE HA H 1 5.020 0.020 . 1 . . . A 71 ILE HA . 18388 1 726 . 1 1 71 71 ILE HB H 1 1.554 0.020 . 1 . . . A 71 ILE HB . 18388 1 727 . 1 1 71 71 ILE HG12 H 1 1.154 0.020 . 2 . . . A 71 ILE HG12 . 18388 1 728 . 1 1 71 71 ILE HG13 H 1 1.090 0.020 . 2 . . . A 71 ILE HG13 . 18388 1 729 . 1 1 71 71 ILE HG21 H 1 1.133 0.020 . . . . . A 71 ILE HG21 . 18388 1 730 . 1 1 71 71 ILE HG22 H 1 1.133 0.020 . . . . . A 71 ILE HG22 . 18388 1 731 . 1 1 71 71 ILE HG23 H 1 1.133 0.020 . . . . . A 71 ILE HG23 . 18388 1 732 . 1 1 71 71 ILE HD11 H 1 0.420 0.020 . . . . . A 71 ILE HD11 . 18388 1 733 . 1 1 71 71 ILE HD12 H 1 0.420 0.020 . . . . . A 71 ILE HD12 . 18388 1 734 . 1 1 71 71 ILE HD13 H 1 0.420 0.020 . . . . . A 71 ILE HD13 . 18388 1 735 . 1 1 71 71 ILE C C 13 169.064 0.300 . 1 . . . A 71 ILE C . 18388 1 736 . 1 1 71 71 ILE CA C 13 55.070 0.300 . 1 . . . A 71 ILE CA . 18388 1 737 . 1 1 71 71 ILE CB C 13 39.510 0.300 . 1 . . . A 71 ILE CB . 18388 1 738 . 1 1 71 71 ILE CG1 C 13 13.266 0.300 . 1 . . . A 71 ILE CG1 . 18388 1 739 . 1 1 71 71 ILE CG2 C 13 26.498 0.300 . 1 . . . A 71 ILE CG2 . 18388 1 740 . 1 1 71 71 ILE N N 15 118.421 0.300 . 1 . . . A 71 ILE N . 18388 1 741 . 1 1 72 72 SER H H 1 9.067 0.020 . 1 . . . A 72 SER H . 18388 1 742 . 1 1 72 72 SER HA H 1 5.685 0.020 . 1 . . . A 72 SER HA . 18388 1 743 . 1 1 72 72 SER HB2 H 1 3.293 0.020 . 2 . . . A 72 SER HB2 . 18388 1 744 . 1 1 72 72 SER HB3 H 1 3.293 0.020 . 2 . . . A 72 SER HB3 . 18388 1 745 . 1 1 72 72 SER C C 13 170.043 0.300 . 1 . . . A 72 SER C . 18388 1 746 . 1 1 72 72 SER CA C 13 52.116 0.300 . 1 . . . A 72 SER CA . 18388 1 747 . 1 1 72 72 SER CB C 13 63.663 0.300 . 1 . . . A 72 SER CB . 18388 1 748 . 1 1 72 72 SER N N 15 120.731 0.300 . 1 . . . A 72 SER N . 18388 1 749 . 1 1 73 73 PHE H H 1 7.912 0.020 . 1 . . . A 73 PHE H . 18388 1 750 . 1 1 73 73 PHE HA H 1 5.145 0.020 . 1 . . . A 73 PHE HA . 18388 1 751 . 1 1 73 73 PHE HB2 H 1 3.158 0.020 . 2 . . . A 73 PHE HB2 . 18388 1 752 . 1 1 73 73 PHE HB3 H 1 3.566 0.020 . 2 . . . A 73 PHE HB3 . 18388 1 753 . 1 1 73 73 PHE HD1 H 1 6.745 0.020 . 3 . . . A 73 PHE HD1 . 18388 1 754 . 1 1 73 73 PHE HD2 H 1 6.745 0.020 . 3 . . . A 73 PHE HD2 . 18388 1 755 . 1 1 73 73 PHE HE1 H 1 6.493 0.020 . 3 . . . A 73 PHE HE1 . 18388 1 756 . 1 1 73 73 PHE HE2 H 1 6.493 0.020 . 3 . . . A 73 PHE HE2 . 18388 1 757 . 1 1 73 73 PHE C C 13 170.129 0.300 . 1 . . . A 73 PHE C . 18388 1 758 . 1 1 73 73 PHE CA C 13 53.597 0.300 . 1 . . . A 73 PHE CA . 18388 1 759 . 1 1 73 73 PHE CB C 13 38.407 0.300 . 1 . . . A 73 PHE CB . 18388 1 760 . 1 1 73 73 PHE CD2 C 13 129.704 0.300 . 3 . . . A 73 PHE CD2 . 18388 1 761 . 1 1 73 73 PHE CE2 C 13 127.414 0.300 . 3 . . . A 73 PHE CE2 . 18388 1 762 . 1 1 73 73 PHE N N 15 117.217 0.300 . 1 . . . A 73 PHE N . 18388 1 763 . 1 1 74 74 ASP H H 1 8.827 0.020 . 1 . . . A 74 ASP H . 18388 1 764 . 1 1 74 74 ASP HA H 1 5.960 0.020 . 1 . . . A 74 ASP HA . 18388 1 765 . 1 1 74 74 ASP HB2 H 1 2.261 0.020 . 2 . . . A 74 ASP HB2 . 18388 1 766 . 1 1 74 74 ASP HB3 H 1 2.582 0.020 . 2 . . . A 74 ASP HB3 . 18388 1 767 . 1 1 74 74 ASP C C 13 173.482 0.300 . 1 . . . A 74 ASP C . 18388 1 768 . 1 1 74 74 ASP CA C 13 50.670 0.300 . 1 . . . A 74 ASP CA . 18388 1 769 . 1 1 74 74 ASP CB C 13 41.225 0.300 . 1 . . . A 74 ASP CB . 18388 1 770 . 1 1 74 74 ASP N N 15 119.911 0.300 . 1 . . . A 74 ASP N . 18388 1 771 . 1 1 75 75 ILE H H 1 9.550 0.020 . 1 . . . A 75 ILE H . 18388 1 772 . 1 1 75 75 ILE HA H 1 6.067 0.020 . 1 . . . A 75 ILE HA . 18388 1 773 . 1 1 75 75 ILE HB H 1 1.984 0.020 . 1 . . . A 75 ILE HB . 18388 1 774 . 1 1 75 75 ILE HG12 H 1 0.817 0.020 . 2 . . . A 75 ILE HG12 . 18388 1 775 . 1 1 75 75 ILE HG13 H 1 2.001 0.020 . 2 . . . A 75 ILE HG13 . 18388 1 776 . 1 1 75 75 ILE HG21 H 1 1.016 0.020 . . . . . A 75 ILE HG21 . 18388 1 777 . 1 1 75 75 ILE HG22 H 1 1.016 0.020 . . . . . A 75 ILE HG22 . 18388 1 778 . 1 1 75 75 ILE HG23 H 1 1.016 0.020 . . . . . A 75 ILE HG23 . 18388 1 779 . 1 1 75 75 ILE HD11 H 1 0.525 0.020 . . . . . A 75 ILE HD11 . 18388 1 780 . 1 1 75 75 ILE HD12 H 1 0.525 0.020 . . . . . A 75 ILE HD12 . 18388 1 781 . 1 1 75 75 ILE HD13 H 1 0.525 0.020 . . . . . A 75 ILE HD13 . 18388 1 782 . 1 1 75 75 ILE C C 13 171.095 0.300 . 1 . . . A 75 ILE C . 18388 1 783 . 1 1 75 75 ILE CA C 13 57.461 0.300 . 1 . . . A 75 ILE CA . 18388 1 784 . 1 1 75 75 ILE CB C 13 41.564 0.300 . 1 . . . A 75 ILE CB . 18388 1 785 . 1 1 75 75 ILE CG1 C 13 26.798 0.300 . 1 . . . A 75 ILE CG1 . 18388 1 786 . 1 1 75 75 ILE CD1 C 13 12.972 0.300 . 1 . . . A 75 ILE CD1 . 18388 1 787 . 1 1 75 75 ILE N N 15 121.069 0.300 . 1 . . . A 75 ILE N . 18388 1 788 . 1 1 76 76 LYS H H 1 8.274 0.020 . 1 . . . A 76 LYS H . 18388 1 789 . 1 1 76 76 LYS HA H 1 4.633 0.020 . 1 . . . A 76 LYS HA . 18388 1 790 . 1 1 76 76 LYS HB2 H 1 0.393 0.020 . 2 . . . A 76 LYS HB2 . 18388 1 791 . 1 1 76 76 LYS HB3 H 1 0.642 0.020 . 2 . . . A 76 LYS HB3 . 18388 1 792 . 1 1 76 76 LYS HG2 H 1 0.083 0.020 . 2 . . . A 76 LYS HG2 . 18388 1 793 . 1 1 76 76 LYS HG3 H 1 0.308 0.020 . 2 . . . A 76 LYS HG3 . 18388 1 794 . 1 1 76 76 LYS HD2 H 1 0.472 0.020 . 2 . . . A 76 LYS HD2 . 18388 1 795 . 1 1 76 76 LYS HD3 H 1 -0.057 0.020 . 2 . . . A 76 LYS HD3 . 18388 1 796 . 1 1 76 76 LYS HE2 H 1 2.193 0.020 . 2 . . . A 76 LYS HE2 . 18388 1 797 . 1 1 76 76 LYS HE3 H 1 2.299 0.020 . 2 . . . A 76 LYS HE3 . 18388 1 798 . 1 1 76 76 LYS C C 13 172.004 0.300 . 1 . . . A 76 LYS C . 18388 1 799 . 1 1 76 76 LYS CA C 13 53.150 0.300 . 1 . . . A 76 LYS CA . 18388 1 800 . 1 1 76 76 LYS CB C 13 32.389 0.300 . 1 . . . A 76 LYS CB . 18388 1 801 . 1 1 76 76 LYS CG C 13 19.734 0.300 . 1 . . . A 76 LYS CG . 18388 1 802 . 1 1 76 76 LYS CD C 13 25.305 0.300 . 1 . . . A 76 LYS CD . 18388 1 803 . 1 1 76 76 LYS CE C 13 38.869 0.300 . 1 . . . A 76 LYS CE . 18388 1 804 . 1 1 76 76 LYS N N 15 124.463 0.300 . 1 . . . A 76 LYS N . 18388 1 805 . 1 1 77 77 SER H H 1 9.149 0.020 . 1 . . . A 77 SER H . 18388 1 806 . 1 1 77 77 SER HA H 1 4.603 0.020 . 1 . . . A 77 SER HA . 18388 1 807 . 1 1 77 77 SER HB2 H 1 3.427 0.020 . 2 . . . A 77 SER HB2 . 18388 1 808 . 1 1 77 77 SER HB3 H 1 3.706 0.020 . 2 . . . A 77 SER HB3 . 18388 1 809 . 1 1 77 77 SER HG H 1 5.151 0.020 . 1 . . . A 77 SER HG . 18388 1 810 . 1 1 77 77 SER C C 13 172.505 0.300 . 1 . . . A 77 SER C . 18388 1 811 . 1 1 77 77 SER CA C 13 54.728 0.300 . 1 . . . A 77 SER CA . 18388 1 812 . 1 1 77 77 SER CB C 13 61.565 0.300 . 1 . . . A 77 SER CB . 18388 1 813 . 1 1 77 77 SER N N 15 119.033 0.300 . 1 . . . A 77 SER N . 18388 1 814 . 1 1 78 78 VAL H H 1 7.955 0.020 . 1 . . . A 78 VAL H . 18388 1 815 . 1 1 78 78 VAL HA H 1 4.182 0.020 . 1 . . . A 78 VAL HA . 18388 1 816 . 1 1 78 78 VAL HB H 1 1.816 0.020 . 1 . . . A 78 VAL HB . 18388 1 817 . 1 1 78 78 VAL HG11 H 1 0.521 0.020 . . . . . A 78 VAL HG11 . 18388 1 818 . 1 1 78 78 VAL HG12 H 1 0.521 0.020 . . . . . A 78 VAL HG12 . 18388 1 819 . 1 1 78 78 VAL HG13 H 1 0.521 0.020 . . . . . A 78 VAL HG13 . 18388 1 820 . 1 1 78 78 VAL HG21 H 1 0.678 0.020 . . . . . A 78 VAL HG21 . 18388 1 821 . 1 1 78 78 VAL HG22 H 1 0.678 0.020 . . . . . A 78 VAL HG22 . 18388 1 822 . 1 1 78 78 VAL HG23 H 1 0.678 0.020 . . . . . A 78 VAL HG23 . 18388 1 823 . 1 1 78 78 VAL C C 13 172.726 0.300 . 1 . . . A 78 VAL C . 18388 1 824 . 1 1 78 78 VAL CA C 13 59.438 0.300 . 1 . . . A 78 VAL CA . 18388 1 825 . 1 1 78 78 VAL CB C 13 29.979 0.300 . 1 . . . A 78 VAL CB . 18388 1 826 . 1 1 78 78 VAL CG1 C 13 17.771 0.300 . 2 . . . A 78 VAL CG1 . 18388 1 827 . 1 1 78 78 VAL CG2 C 13 18.871 0.300 . 2 . . . A 78 VAL CG2 . 18388 1 828 . 1 1 78 78 VAL N N 15 119.790 0.300 . 1 . . . A 78 VAL N . 18388 1 829 . 1 1 79 79 ASP H H 1 8.067 0.020 . 1 . . . A 79 ASP H . 18388 1 830 . 1 1 79 79 ASP HA H 1 4.548 0.020 . 1 . . . A 79 ASP HA . 18388 1 831 . 1 1 79 79 ASP HB2 H 1 2.347 0.020 . 2 . . . A 79 ASP HB2 . 18388 1 832 . 1 1 79 79 ASP HB3 H 1 2.859 0.020 . 2 . . . A 79 ASP HB3 . 18388 1 833 . 1 1 79 79 ASP C C 13 174.036 0.300 . 1 . . . A 79 ASP C . 18388 1 834 . 1 1 79 79 ASP CA C 13 50.812 0.300 . 1 . . . A 79 ASP CA . 18388 1 835 . 1 1 79 79 ASP CB C 13 38.852 0.300 . 1 . . . A 79 ASP CB . 18388 1 836 . 1 1 79 79 ASP N N 15 119.326 0.300 . 1 . . . A 79 ASP N . 18388 1 837 . 1 1 80 80 GLY H H 1 8.210 0.020 . 1 . . . A 80 GLY H . 18388 1 838 . 1 1 80 80 GLY HA2 H 1 3.508 0.020 . 2 . . . A 80 GLY HA2 . 18388 1 839 . 1 1 80 80 GLY HA3 H 1 4.090 0.020 . 2 . . . A 80 GLY HA3 . 18388 1 840 . 1 1 80 80 GLY C C 13 171.629 0.300 . 1 . . . A 80 GLY C . 18388 1 841 . 1 1 80 80 GLY CA C 13 42.838 0.300 . 1 . . . A 80 GLY CA . 18388 1 842 . 1 1 80 80 GLY N N 15 108.328 0.300 . 1 . . . A 80 GLY N . 18388 1 843 . 1 1 81 81 SER H H 1 8.026 0.020 . 1 . . . A 81 SER H . 18388 1 844 . 1 1 81 81 SER HA H 1 4.377 0.020 . 1 . . . A 81 SER HA . 18388 1 845 . 1 1 81 81 SER HB2 H 1 3.849 0.020 . 2 . . . A 81 SER HB2 . 18388 1 846 . 1 1 81 81 SER HB3 H 1 3.884 0.020 . 2 . . . A 81 SER HB3 . 18388 1 847 . 1 1 81 81 SER C C 13 171.425 0.300 . 1 . . . A 81 SER C . 18388 1 848 . 1 1 81 81 SER CA C 13 55.327 0.300 . 1 . . . A 81 SER CA . 18388 1 849 . 1 1 81 81 SER CB C 13 61.781 0.300 . 1 . . . A 81 SER CB . 18388 1 850 . 1 1 81 81 SER N N 15 116.160 0.300 . 1 . . . A 81 SER N . 18388 1 851 . 1 1 82 82 ALA H H 1 8.575 0.020 . 1 . . . A 82 ALA H . 18388 1 852 . 1 1 82 82 ALA HA H 1 4.808 0.020 . 1 . . . A 82 ALA HA . 18388 1 853 . 1 1 82 82 ALA HB1 H 1 1.236 0.020 . . . . . A 82 ALA HB1 . 18388 1 854 . 1 1 82 82 ALA HB2 H 1 1.236 0.020 . . . . . A 82 ALA HB2 . 18388 1 855 . 1 1 82 82 ALA HB3 H 1 1.236 0.020 . . . . . A 82 ALA HB3 . 18388 1 856 . 1 1 82 82 ALA C C 13 173.052 0.300 . 1 . . . A 82 ALA C . 18388 1 857 . 1 1 82 82 ALA CA C 13 48.797 0.300 . 1 . . . A 82 ALA CA . 18388 1 858 . 1 1 82 82 ALA CB C 13 16.231 0.300 . 1 . . . A 82 ALA CB . 18388 1 859 . 1 1 82 82 ALA N N 15 128.179 0.300 . 1 . . . A 82 ALA N . 18388 1 860 . 1 1 83 83 ASN H H 1 8.181 0.020 . 1 . . . A 83 ASN H . 18388 1 861 . 1 1 83 83 ASN HA H 1 4.863 0.020 . 1 . . . A 83 ASN HA . 18388 1 862 . 1 1 83 83 ASN HB2 H 1 2.709 0.020 . 2 . . . A 83 ASN HB2 . 18388 1 863 . 1 1 83 83 ASN HB3 H 1 2.709 0.020 . 2 . . . A 83 ASN HB3 . 18388 1 864 . 1 1 83 83 ASN HD21 H 1 7.747 0.020 . 2 . . . A 83 ASN HD21 . 18388 1 865 . 1 1 83 83 ASN C C 13 170.563 0.300 . 1 . . . A 83 ASN C . 18388 1 866 . 1 1 83 83 ASN CA C 13 50.517 0.300 . 1 . . . A 83 ASN CA . 18388 1 867 . 1 1 83 83 ASN CB C 13 38.523 0.300 . 1 . . . A 83 ASN CB . 18388 1 868 . 1 1 83 83 ASN CG C 13 174.709 0.300 . 1 . . . A 83 ASN CG . 18388 1 869 . 1 1 83 83 ASN N N 15 119.957 0.300 . 1 . . . A 83 ASN N . 18388 1 870 . 1 1 83 83 ASN ND2 N 15 115.763 0.300 . 1 . . . A 83 ASN ND2 . 18388 1 871 . 1 1 84 84 GLU H H 1 8.030 0.020 . 1 . . . A 84 GLU H . 18388 1 872 . 1 1 84 84 GLU HA H 1 4.505 0.020 . 1 . . . A 84 GLU HA . 18388 1 873 . 1 1 84 84 GLU HB2 H 1 1.620 0.020 . 2 . . . A 84 GLU HB2 . 18388 1 874 . 1 1 84 84 GLU HB3 H 1 1.780 0.020 . 2 . . . A 84 GLU HB3 . 18388 1 875 . 1 1 84 84 GLU HG2 H 1 1.960 0.020 . 2 . . . A 84 GLU HG2 . 18388 1 876 . 1 1 84 84 GLU HG3 H 1 2.065 0.020 . 2 . . . A 84 GLU HG3 . 18388 1 877 . 1 1 84 84 GLU C C 13 171.338 0.300 . 1 . . . A 84 GLU C . 18388 1 878 . 1 1 84 84 GLU CA C 13 54.564 0.300 . 1 . . . A 84 GLU CA . 18388 1 879 . 1 1 84 84 GLU CB C 13 28.437 0.300 . 1 . . . A 84 GLU CB . 18388 1 880 . 1 1 84 84 GLU CG C 13 34.066 0.300 . 1 . . . A 84 GLU CG . 18388 1 881 . 1 1 84 84 GLU N N 15 127.466 0.300 . 1 . . . A 84 GLU N . 18388 1 882 . 1 1 85 85 ILE H H 1 8.785 0.020 . 1 . . . A 85 ILE H . 18388 1 883 . 1 1 85 85 ILE HA H 1 4.441 0.020 . 1 . . . A 85 ILE HA . 18388 1 884 . 1 1 85 85 ILE HB H 1 2.085 0.020 . 1 . . . A 85 ILE HB . 18388 1 885 . 1 1 85 85 ILE HG12 H 1 0.768 0.020 . 2 . . . A 85 ILE HG12 . 18388 1 886 . 1 1 85 85 ILE HG13 H 1 1.110 0.020 . 2 . . . A 85 ILE HG13 . 18388 1 887 . 1 1 85 85 ILE HG21 H 1 0.981 0.020 . . . . . A 85 ILE HG21 . 18388 1 888 . 1 1 85 85 ILE HG22 H 1 0.981 0.020 . . . . . A 85 ILE HG22 . 18388 1 889 . 1 1 85 85 ILE HG23 H 1 0.981 0.020 . . . . . A 85 ILE HG23 . 18388 1 890 . 1 1 85 85 ILE HD11 H 1 0.236 0.020 . . . . . A 85 ILE HD11 . 18388 1 891 . 1 1 85 85 ILE HD12 H 1 0.236 0.020 . . . . . A 85 ILE HD12 . 18388 1 892 . 1 1 85 85 ILE HD13 H 1 0.236 0.020 . . . . . A 85 ILE HD13 . 18388 1 893 . 1 1 85 85 ILE C C 13 171.646 0.300 . 1 . . . A 85 ILE C . 18388 1 894 . 1 1 85 85 ILE CA C 13 57.923 0.300 . 1 . . . A 85 ILE CA . 18388 1 895 . 1 1 85 85 ILE CB C 13 40.072 0.300 . 1 . . . A 85 ILE CB . 18388 1 896 . 1 1 85 85 ILE CG1 C 13 23.257 0.300 . 1 . . . A 85 ILE CG1 . 18388 1 897 . 1 1 85 85 ILE CG2 C 13 15.897 0.300 . 1 . . . A 85 ILE CG2 . 18388 1 898 . 1 1 85 85 ILE CD1 C 13 12.254 0.300 . 1 . . . A 85 ILE CD1 . 18388 1 899 . 1 1 85 85 ILE N N 15 117.650 0.300 . 1 . . . A 85 ILE N . 18388 1 900 . 1 1 86 86 ARG H H 1 9.004 0.020 . 1 . . . A 86 ARG H . 18388 1 901 . 1 1 86 86 ARG HA H 1 5.223 0.020 . 1 . . . A 86 ARG HA . 18388 1 902 . 1 1 86 86 ARG HB2 H 1 1.194 0.020 . 2 . . . A 86 ARG HB2 . 18388 1 903 . 1 1 86 86 ARG HB3 H 1 1.429 0.020 . 2 . . . A 86 ARG HB3 . 18388 1 904 . 1 1 86 86 ARG HG2 H 1 1.725 0.020 . 2 . . . A 86 ARG HG2 . 18388 1 905 . 1 1 86 86 ARG HG3 H 1 1.725 0.020 . 2 . . . A 86 ARG HG3 . 18388 1 906 . 1 1 86 86 ARG HD2 H 1 2.531 0.020 . 2 . . . A 86 ARG HD2 . 18388 1 907 . 1 1 86 86 ARG HD3 H 1 3.280 0.020 . 2 . . . A 86 ARG HD3 . 18388 1 908 . 1 1 86 86 ARG C C 13 171.571 0.300 . 1 . . . A 86 ARG C . 18388 1 909 . 1 1 86 86 ARG CA C 13 52.830 0.300 . 1 . . . A 86 ARG CA . 18388 1 910 . 1 1 86 86 ARG CB C 13 31.905 0.300 . 1 . . . A 86 ARG CB . 18388 1 911 . 1 1 86 86 ARG CG C 13 24.769 0.300 . 1 . . . A 86 ARG CG . 18388 1 912 . 1 1 86 86 ARG CD C 13 41.035 0.300 . 1 . . . A 86 ARG CD . 18388 1 913 . 1 1 86 86 ARG N N 15 116.240 0.300 . 1 . . . A 86 ARG N . 18388 1 914 . 1 1 87 87 PHE H H 1 9.078 0.020 . 1 . . . A 87 PHE H . 18388 1 915 . 1 1 87 87 PHE HA H 1 5.283 0.020 . 1 . . . A 87 PHE HA . 18388 1 916 . 1 1 87 87 PHE HB2 H 1 2.863 0.020 . 2 . . . A 87 PHE HB2 . 18388 1 917 . 1 1 87 87 PHE HB3 H 1 3.020 0.020 . 2 . . . A 87 PHE HB3 . 18388 1 918 . 1 1 87 87 PHE HD1 H 1 6.612 0.020 . 3 . . . A 87 PHE HD1 . 18388 1 919 . 1 1 87 87 PHE HD2 H 1 6.612 0.020 . 3 . . . A 87 PHE HD2 . 18388 1 920 . 1 1 87 87 PHE HE1 H 1 6.997 0.020 . 3 . . . A 87 PHE HE1 . 18388 1 921 . 1 1 87 87 PHE HE2 H 1 6.997 0.020 . 3 . . . A 87 PHE HE2 . 18388 1 922 . 1 1 87 87 PHE HZ H 1 7.411 0.020 . 1 . . . A 87 PHE HZ . 18388 1 923 . 1 1 87 87 PHE C C 13 170.766 0.300 . 1 . . . A 87 PHE C . 18388 1 924 . 1 1 87 87 PHE CA C 13 53.640 0.300 . 1 . . . A 87 PHE CA . 18388 1 925 . 1 1 87 87 PHE CB C 13 39.828 0.300 . 1 . . . A 87 PHE CB . 18388 1 926 . 1 1 87 87 PHE CD1 C 13 129.682 0.300 . 3 . . . A 87 PHE CD1 . 18388 1 927 . 1 1 87 87 PHE CE1 C 13 127.245 0.300 . 3 . . . A 87 PHE CE1 . 18388 1 928 . 1 1 87 87 PHE CZ C 13 126.536 0.300 . 1 . . . A 87 PHE CZ . 18388 1 929 . 1 1 87 87 PHE N N 15 123.240 0.300 . 1 . . . A 87 PHE N . 18388 1 930 . 1 1 88 88 MET H H 1 8.668 0.020 . 1 . . . A 88 MET H . 18388 1 931 . 1 1 88 88 MET HA H 1 5.645 0.020 . 1 . . . A 88 MET HA . 18388 1 932 . 1 1 88 88 MET HB2 H 1 1.457 0.020 . 2 . . . A 88 MET HB2 . 18388 1 933 . 1 1 88 88 MET HB3 H 1 1.584 0.020 . 2 . . . A 88 MET HB3 . 18388 1 934 . 1 1 88 88 MET HG2 H 1 1.989 0.020 . 2 . . . A 88 MET HG2 . 18388 1 935 . 1 1 88 88 MET HG3 H 1 1.989 0.020 . 2 . . . A 88 MET HG3 . 18388 1 936 . 1 1 88 88 MET C C 13 170.510 0.300 . 1 . . . A 88 MET C . 18388 1 937 . 1 1 88 88 MET CA C 13 50.807 0.300 . 1 . . . A 88 MET CA . 18388 1 938 . 1 1 88 88 MET CB C 13 37.032 0.300 . 1 . . . A 88 MET CB . 18388 1 939 . 1 1 88 88 MET CG C 13 29.149 0.300 . 1 . . . A 88 MET CG . 18388 1 940 . 1 1 88 88 MET N N 15 129.716 0.300 . 1 . . . A 88 MET N . 18388 1 941 . 1 1 89 89 ILE H H 1 9.092 0.020 . 1 . . . A 89 ILE H . 18388 1 942 . 1 1 89 89 ILE HA H 1 4.319 0.020 . 1 . . . A 89 ILE HA . 18388 1 943 . 1 1 89 89 ILE HB H 1 1.209 0.020 . 1 . . . A 89 ILE HB . 18388 1 944 . 1 1 89 89 ILE HG12 H 1 1.420 0.020 . . . . . A 89 ILE HG12 . 18388 1 945 . 1 1 89 89 ILE HG13 H 1 1.420 0.020 . . . . . A 89 ILE HG13 . 18388 1 946 . 1 1 89 89 ILE HG21 H 1 0.516 0.020 . . . . . A 89 ILE HG21 . 18388 1 947 . 1 1 89 89 ILE HG22 H 1 0.516 0.020 . . . . . A 89 ILE HG22 . 18388 1 948 . 1 1 89 89 ILE HG23 H 1 0.516 0.020 . . . . . A 89 ILE HG23 . 18388 1 949 . 1 1 89 89 ILE HD11 H 1 0.264 0.020 . . . . . A 89 ILE HD11 . 18388 1 950 . 1 1 89 89 ILE HD12 H 1 0.264 0.020 . . . . . A 89 ILE HD12 . 18388 1 951 . 1 1 89 89 ILE HD13 H 1 0.264 0.020 . . . . . A 89 ILE HD13 . 18388 1 952 . 1 1 89 89 ILE C C 13 170.827 0.300 . 1 . . . A 89 ILE C . 18388 1 953 . 1 1 89 89 ILE CA C 13 57.785 0.300 . 1 . . . A 89 ILE CA . 18388 1 954 . 1 1 89 89 ILE CB C 13 38.731 0.300 . 1 . . . A 89 ILE CB . 18388 1 955 . 1 1 89 89 ILE CG1 C 13 24.733 0.300 . 1 . . . A 89 ILE CG1 . 18388 1 956 . 1 1 89 89 ILE CG2 C 13 15.907 0.300 . 1 . . . A 89 ILE CG2 . 18388 1 957 . 1 1 89 89 ILE CD1 C 13 11.952 0.300 . 1 . . . A 89 ILE CD1 . 18388 1 958 . 1 1 89 89 ILE N N 15 124.543 0.300 . 1 . . . A 89 ILE N . 18388 1 959 . 1 1 90 90 ALA H H 1 8.586 0.020 . 1 . . . A 90 ALA H . 18388 1 960 . 1 1 90 90 ALA HB1 H 1 1.238 0.020 . . . . . A 90 ALA HB1 . 18388 1 961 . 1 1 90 90 ALA HB2 H 1 1.238 0.020 . . . . . A 90 ALA HB2 . 18388 1 962 . 1 1 90 90 ALA HB3 H 1 1.238 0.020 . . . . . A 90 ALA HB3 . 18388 1 963 . 1 1 90 90 ALA C C 13 175.845 0.300 . 1 . . . A 90 ALA C . 18388 1 964 . 1 1 90 90 ALA CA C 13 46.613 0.300 . 1 . . . A 90 ALA CA . 18388 1 965 . 1 1 90 90 ALA CB C 13 18.115 0.300 . 1 . . . A 90 ALA CB . 18388 1 966 . 1 1 90 90 ALA N N 15 128.515 0.300 . 1 . . . A 90 ALA N . 18388 1 967 . 1 1 91 91 GLU H H 1 8.567 0.020 . 1 . . . A 91 GLU H . 18388 1 968 . 1 1 91 91 GLU HA H 1 4.498 0.020 . 1 . . . A 91 GLU HA . 18388 1 969 . 1 1 91 91 GLU HB2 H 1 2.264 0.020 . 2 . . . A 91 GLU HB2 . 18388 1 970 . 1 1 91 91 GLU HB3 H 1 2.377 0.020 . 2 . . . A 91 GLU HB3 . 18388 1 971 . 1 1 91 91 GLU HG2 H 1 2.556 0.020 . 2 . . . A 91 GLU HG2 . 18388 1 972 . 1 1 91 91 GLU HG3 H 1 2.556 0.020 . 2 . . . A 91 GLU HG3 . 18388 1 973 . 1 1 91 91 GLU C C 13 173.922 0.300 . 1 . . . A 91 GLU C . 18388 1 974 . 1 1 91 91 GLU CA C 13 52.879 0.300 . 1 . . . A 91 GLU CA . 18388 1 975 . 1 1 91 91 GLU CB C 13 29.600 0.300 . 1 . . . A 91 GLU CB . 18388 1 976 . 1 1 91 91 GLU CG C 13 39.406 0.300 . 1 . . . A 91 GLU CG . 18388 1 977 . 1 1 91 91 GLU N N 15 121.430 0.300 . 1 . . . A 91 GLU N . 18388 1 978 . 1 1 92 92 LYS H H 1 7.811 0.020 . 1 . . . A 92 LYS H . 18388 1 979 . 1 1 92 92 LYS HA H 1 4.162 0.020 . 1 . . . A 92 LYS HA . 18388 1 980 . 1 1 92 92 LYS HB2 H 1 1.520 0.020 . 2 . . . A 92 LYS HB2 . 18388 1 981 . 1 1 92 92 LYS HB3 H 1 1.690 0.020 . 2 . . . A 92 LYS HB3 . 18388 1 982 . 1 1 92 92 LYS HG2 H 1 0.981 0.020 . 2 . . . A 92 LYS HG2 . 18388 1 983 . 1 1 92 92 LYS HG3 H 1 1.235 0.020 . 2 . . . A 92 LYS HG3 . 18388 1 984 . 1 1 92 92 LYS HD2 H 1 1.564 0.020 . 2 . . . A 92 LYS HD2 . 18388 1 985 . 1 1 92 92 LYS HD3 H 1 1.703 0.020 . 2 . . . A 92 LYS HD3 . 18388 1 986 . 1 1 92 92 LYS HE2 H 1 2.864 0.020 . 2 . . . A 92 LYS HE2 . 18388 1 987 . 1 1 92 92 LYS HE3 H 1 2.864 0.020 . 2 . . . A 92 LYS HE3 . 18388 1 988 . 1 1 92 92 LYS C C 13 174.625 0.300 . 1 . . . A 92 LYS C . 18388 1 989 . 1 1 92 92 LYS CA C 13 54.194 0.300 . 1 . . . A 92 LYS CA . 18388 1 990 . 1 1 92 92 LYS CB C 13 30.310 0.300 . 1 . . . A 92 LYS CB . 18388 1 991 . 1 1 92 92 LYS CG C 13 23.196 0.300 . 1 . . . A 92 LYS CG . 18388 1 992 . 1 1 92 92 LYS CD C 13 26.184 0.300 . 1 . . . A 92 LYS CD . 18388 1 993 . 1 1 92 92 LYS CE C 13 39.402 0.300 . 1 . . . A 92 LYS CE . 18388 1 994 . 1 1 92 92 LYS N N 15 117.547 0.300 . 1 . . . A 92 LYS N . 18388 1 995 . 1 1 93 93 SER H H 1 8.003 0.020 . 1 . . . A 93 SER H . 18388 1 996 . 1 1 93 93 SER HA H 1 3.991 0.020 . 1 . . . A 93 SER HA . 18388 1 997 . 1 1 93 93 SER HB2 H 1 3.089 0.020 . 2 . . . A 93 SER HB2 . 18388 1 998 . 1 1 93 93 SER HB3 H 1 3.482 0.020 . 2 . . . A 93 SER HB3 . 18388 1 999 . 1 1 93 93 SER HG H 1 4.366 0.020 . 1 . . . A 93 SER HG . 18388 1 1000 . 1 1 93 93 SER C C 13 174.908 0.300 . 1 . . . A 93 SER C . 18388 1 1001 . 1 1 93 93 SER CA C 13 53.457 0.300 . 1 . . . A 93 SER CA . 18388 1 1002 . 1 1 93 93 SER CB C 13 61.280 0.300 . 1 . . . A 93 SER CB . 18388 1 1003 . 1 1 93 93 SER N N 15 114.967 0.300 . 1 . . . A 93 SER N . 18388 1 1004 . 1 1 94 94 ILE H H 1 9.066 0.020 . 1 . . . A 94 ILE H . 18388 1 1005 . 1 1 94 94 ILE HA H 1 4.213 0.020 . 1 . . . A 94 ILE HA . 18388 1 1006 . 1 1 94 94 ILE HB H 1 1.953 0.020 . 1 . . . A 94 ILE HB . 18388 1 1007 . 1 1 94 94 ILE HG12 H 1 1.059 0.020 . 2 . . . A 94 ILE HG12 . 18388 1 1008 . 1 1 94 94 ILE HG13 H 1 1.202 0.020 . 2 . . . A 94 ILE HG13 . 18388 1 1009 . 1 1 94 94 ILE HG21 H 1 0.912 0.020 . . . . . A 94 ILE HG21 . 18388 1 1010 . 1 1 94 94 ILE HG22 H 1 0.912 0.020 . . . . . A 94 ILE HG22 . 18388 1 1011 . 1 1 94 94 ILE HG23 H 1 0.912 0.020 . . . . . A 94 ILE HG23 . 18388 1 1012 . 1 1 94 94 ILE HD11 H 1 0.802 0.020 . . . . . A 94 ILE HD11 . 18388 1 1013 . 1 1 94 94 ILE HD12 H 1 0.802 0.020 . . . . . A 94 ILE HD12 . 18388 1 1014 . 1 1 94 94 ILE HD13 H 1 0.802 0.020 . . . . . A 94 ILE HD13 . 18388 1 1015 . 1 1 94 94 ILE C C 13 173.932 0.300 . 1 . . . A 94 ILE C . 18388 1 1016 . 1 1 94 94 ILE CA C 13 60.133 0.300 . 1 . . . A 94 ILE CA . 18388 1 1017 . 1 1 94 94 ILE CB C 13 35.695 0.300 . 1 . . . A 94 ILE CB . 18388 1 1018 . 1 1 94 94 ILE CG1 C 13 23.510 0.300 . 1 . . . A 94 ILE CG1 . 18388 1 1019 . 1 1 94 94 ILE CG2 C 13 15.255 0.300 . 1 . . . A 94 ILE CG2 . 18388 1 1020 . 1 1 94 94 ILE CD1 C 13 11.245 0.300 . 1 . . . A 94 ILE CD1 . 18388 1 1021 . 1 1 94 94 ILE N N 15 121.963 0.300 . 1 . . . A 94 ILE N . 18388 1 1022 . 1 1 95 95 ASN H H 1 8.017 0.020 . 1 . . . A 95 ASN H . 18388 1 1023 . 1 1 95 95 ASN HA H 1 4.888 0.020 . 1 . . . A 95 ASN HA . 18388 1 1024 . 1 1 95 95 ASN HB2 H 1 2.549 0.020 . 2 . . . A 95 ASN HB2 . 18388 1 1025 . 1 1 95 95 ASN HB3 H 1 3.083 0.020 . 2 . . . A 95 ASN HB3 . 18388 1 1026 . 1 1 95 95 ASN HD21 H 1 7.439 0.020 . 2 . . . A 95 ASN HD21 . 18388 1 1027 . 1 1 95 95 ASN HD22 H 1 6.529 0.020 . 2 . . . A 95 ASN HD22 . 18388 1 1028 . 1 1 95 95 ASN C C 13 173.552 0.300 . 1 . . . A 95 ASN C . 18388 1 1029 . 1 1 95 95 ASN CA C 13 48.970 0.300 . 1 . . . A 95 ASN CA . 18388 1 1030 . 1 1 95 95 ASN CB C 13 36.412 0.300 . 1 . . . A 95 ASN CB . 18388 1 1031 . 1 1 95 95 ASN CG C 13 173.915 0.300 . 1 . . . A 95 ASN CG . 18388 1 1032 . 1 1 95 95 ASN N N 15 117.377 0.300 . 1 . . . A 95 ASN N . 18388 1 1033 . 1 1 95 95 ASN ND2 N 15 108.984 0.300 . 1 . . . A 95 ASN ND2 . 18388 1 1034 . 1 1 96 96 GLY H H 1 7.311 0.020 . 1 . . . A 96 GLY H . 18388 1 1035 . 1 1 96 96 GLY HA2 H 1 3.664 0.020 . 2 . . . A 96 GLY HA2 . 18388 1 1036 . 1 1 96 96 GLY HA3 H 1 4.091 0.020 . 2 . . . A 96 GLY HA3 . 18388 1 1037 . 1 1 96 96 GLY C C 13 170.491 0.300 . 1 . . . A 96 GLY C . 18388 1 1038 . 1 1 96 96 GLY CA C 13 43.048 0.300 . 1 . . . A 96 GLY CA . 18388 1 1039 . 1 1 96 96 GLY N N 15 106.661 0.300 . 1 . . . A 96 GLY N . 18388 1 1040 . 1 1 97 97 VAL H H 1 7.551 0.020 . 1 . . . A 97 VAL H . 18388 1 1041 . 1 1 97 97 VAL HA H 1 4.191 0.020 . 1 . . . A 97 VAL HA . 18388 1 1042 . 1 1 97 97 VAL HB H 1 1.878 0.020 . 1 . . . A 97 VAL HB . 18388 1 1043 . 1 1 97 97 VAL HG11 H 1 0.762 0.020 . . . . . A 97 VAL HG11 . 18388 1 1044 . 1 1 97 97 VAL HG12 H 1 0.762 0.020 . . . . . A 97 VAL HG12 . 18388 1 1045 . 1 1 97 97 VAL HG13 H 1 0.762 0.020 . . . . . A 97 VAL HG13 . 18388 1 1046 . 1 1 97 97 VAL HG21 H 1 0.821 0.020 . . . . . A 97 VAL HG21 . 18388 1 1047 . 1 1 97 97 VAL HG22 H 1 0.821 0.020 . . . . . A 97 VAL HG22 . 18388 1 1048 . 1 1 97 97 VAL HG23 H 1 0.821 0.020 . . . . . A 97 VAL HG23 . 18388 1 1049 . 1 1 97 97 VAL C C 13 173.482 0.300 . 1 . . . A 97 VAL C . 18388 1 1050 . 1 1 97 97 VAL CA C 13 58.932 0.300 . 1 . . . A 97 VAL CA . 18388 1 1051 . 1 1 97 97 VAL CB C 13 30.676 0.300 . 1 . . . A 97 VAL CB . 18388 1 1052 . 1 1 97 97 VAL CG1 C 13 18.820 0.300 . 2 . . . A 97 VAL CG1 . 18388 1 1053 . 1 1 97 97 VAL CG2 C 13 17.708 0.300 . 2 . . . A 97 VAL CG2 . 18388 1 1054 . 1 1 97 97 VAL N N 15 119.605 0.300 . 1 . . . A 97 VAL N . 18388 1 1055 . 1 1 98 98 GLY H H 1 8.655 0.020 . 1 . . . A 98 GLY H . 18388 1 1056 . 1 1 98 98 GLY HA2 H 1 3.746 0.020 . 2 . . . A 98 GLY HA2 . 18388 1 1057 . 1 1 98 98 GLY HA3 H 1 4.031 0.020 . 2 . . . A 98 GLY HA3 . 18388 1 1058 . 1 1 98 98 GLY C C 13 169.827 0.300 . 1 . . . A 98 GLY C . 18388 1 1059 . 1 1 98 98 GLY CA C 13 42.612 0.300 . 1 . . . A 98 GLY CA . 18388 1 1060 . 1 1 98 98 GLY N N 15 115.147 0.300 . 1 . . . A 98 GLY N . 18388 1 1061 . 1 1 99 99 ASP H H 1 8.530 0.020 . 1 . . . A 99 ASP H . 18388 1 1062 . 1 1 99 99 ASP HA H 1 4.465 0.020 . 1 . . . A 99 ASP HA . 18388 1 1063 . 1 1 99 99 ASP HB2 H 1 2.620 0.020 . 2 . . . A 99 ASP HB2 . 18388 1 1064 . 1 1 99 99 ASP HB3 H 1 2.774 0.020 . 2 . . . A 99 ASP HB3 . 18388 1 1065 . 1 1 99 99 ASP C C 13 172.259 0.300 . 1 . . . A 99 ASP C . 18388 1 1066 . 1 1 99 99 ASP CA C 13 50.287 0.300 . 1 . . . A 99 ASP CA . 18388 1 1067 . 1 1 99 99 ASP CB C 13 38.909 0.300 . 1 . . . A 99 ASP CB . 18388 1 1068 . 1 1 99 99 ASP N N 15 119.229 0.300 . 1 . . . A 99 ASP N . 18388 1 1069 . 1 1 100 100 GLY H H 1 8.065 0.020 . 1 . . . A 100 GLY H . 18388 1 1070 . 1 1 100 100 GLY HA2 H 1 3.045 0.020 . 2 . . . A 100 GLY HA2 . 18388 1 1071 . 1 1 100 100 GLY HA3 H 1 3.773 0.020 . 2 . . . A 100 GLY HA3 . 18388 1 1072 . 1 1 100 100 GLY C C 13 167.303 0.300 . 1 . . . A 100 GLY C . 18388 1 1073 . 1 1 100 100 GLY CA C 13 39.866 0.300 . 1 . . . A 100 GLY CA . 18388 1 1074 . 1 1 100 100 GLY N N 15 109.038 0.300 . 1 . . . A 100 GLY N . 18388 1 1075 . 1 1 101 101 GLU H H 1 8.192 0.020 . 1 . . . A 101 GLU H . 18388 1 1076 . 1 1 101 101 GLU HA H 1 3.977 0.020 . 1 . . . A 101 GLU HA . 18388 1 1077 . 1 1 101 101 GLU HB2 H 1 2.295 0.020 . 2 . . . A 101 GLU HB2 . 18388 1 1078 . 1 1 101 101 GLU HB3 H 1 2.029 0.020 . 2 . . . A 101 GLU HB3 . 18388 1 1079 . 1 1 101 101 GLU HG2 H 1 2.105 0.020 . 2 . . . A 101 GLU HG2 . 18388 1 1080 . 1 1 101 101 GLU HG3 H 1 2.304 0.020 . 2 . . . A 101 GLU HG3 . 18388 1 1081 . 1 1 101 101 GLU C C 13 173.370 0.300 . 1 . . . A 101 GLU C . 18388 1 1082 . 1 1 101 101 GLU CA C 13 55.141 0.300 . 1 . . . A 101 GLU CA . 18388 1 1083 . 1 1 101 101 GLU CB C 13 30.889 0.300 . 1 . . . A 101 GLU CB . 18388 1 1084 . 1 1 101 101 GLU CG C 13 33.854 0.300 . 1 . . . A 101 GLU CG . 18388 1 1085 . 1 1 101 101 GLU N N 15 120.180 0.300 . 1 . . . A 101 GLU N . 18388 1 1086 . 1 1 102 102 HIS H H 1 9.908 0.020 . 1 . . . A 102 HIS H . 18388 1 1087 . 1 1 102 102 HIS HA H 1 5.185 0.020 . 1 . . . A 102 HIS HA . 18388 1 1088 . 1 1 102 102 HIS HB2 H 1 3.008 0.020 . 2 . . . A 102 HIS HB2 . 18388 1 1089 . 1 1 102 102 HIS HB3 H 1 2.651 0.020 . 2 . . . A 102 HIS HB3 . 18388 1 1090 . 1 1 102 102 HIS HD1 H 1 9.343 0.020 . 1 . . . A 102 HIS HD1 . 18388 1 1091 . 1 1 102 102 HIS HD2 H 1 7.244 0.020 . 1 . . . A 102 HIS HD2 . 18388 1 1092 . 1 1 102 102 HIS HE1 H 1 7.331 0.020 . 1 . . . A 102 HIS HE1 . 18388 1 1093 . 1 1 102 102 HIS C C 13 174.307 0.300 . 1 . . . A 102 HIS C . 18388 1 1094 . 1 1 102 102 HIS CA C 13 52.679 0.300 . 1 . . . A 102 HIS CA . 18388 1 1095 . 1 1 102 102 HIS CB C 13 33.514 0.300 . 1 . . . A 102 HIS CB . 18388 1 1096 . 1 1 102 102 HIS CD2 C 13 114.395 0.300 . 1 . . . A 102 HIS CD2 . 18388 1 1097 . 1 1 102 102 HIS CE1 C 13 134.309 0.300 . 1 . . . A 102 HIS CE1 . 18388 1 1098 . 1 1 102 102 HIS N N 15 126.644 0.300 . 1 . . . A 102 HIS N . 18388 1 1099 . 1 1 103 103 TRP H H 1 9.098 0.020 . 1 . . . A 103 TRP H . 18388 1 1100 . 1 1 103 103 TRP HA H 1 4.816 0.020 . 1 . . . A 103 TRP HA . 18388 1 1101 . 1 1 103 103 TRP HB2 H 1 3.187 0.020 . 2 . . . A 103 TRP HB2 . 18388 1 1102 . 1 1 103 103 TRP HB3 H 1 3.129 0.020 . 2 . . . A 103 TRP HB3 . 18388 1 1103 . 1 1 103 103 TRP HD1 H 1 7.062 0.020 . 1 . . . A 103 TRP HD1 . 18388 1 1104 . 1 1 103 103 TRP HE1 H 1 9.619 0.020 . 1 . . . A 103 TRP HE1 . 18388 1 1105 . 1 1 103 103 TRP HE3 H 1 7.040 0.020 . 1 . . . A 103 TRP HE3 . 18388 1 1106 . 1 1 103 103 TRP HZ2 H 1 6.968 0.020 . 1 . . . A 103 TRP HZ2 . 18388 1 1107 . 1 1 103 103 TRP HZ3 H 1 6.830 0.020 . 1 . . . A 103 TRP HZ3 . 18388 1 1108 . 1 1 103 103 TRP HH2 H 1 6.567 0.020 . 1 . . . A 103 TRP HH2 . 18388 1 1109 . 1 1 103 103 TRP C C 13 173.005 0.300 . 1 . . . A 103 TRP C . 18388 1 1110 . 1 1 103 103 TRP CA C 13 54.621 0.300 . 1 . . . A 103 TRP CA . 18388 1 1111 . 1 1 103 103 TRP CB C 13 28.956 0.300 . 1 . . . A 103 TRP CB . 18388 1 1112 . 1 1 103 103 TRP CD1 C 13 124.185 0.300 . 1 . . . A 103 TRP CD1 . 18388 1 1113 . 1 1 103 103 TRP CE3 C 13 115.825 0.300 . 1 . . . A 103 TRP CE3 . 18388 1 1114 . 1 1 103 103 TRP CZ2 C 13 111.551 0.300 . 1 . . . A 103 TRP CZ2 . 18388 1 1115 . 1 1 103 103 TRP CZ3 C 13 120.912 0.300 . 1 . . . A 103 TRP CZ3 . 18388 1 1116 . 1 1 103 103 TRP CH2 C 13 121.484 0.300 . 1 . . . A 103 TRP CH2 . 18388 1 1117 . 1 1 103 103 TRP N N 15 125.439 0.300 . 1 . . . A 103 TRP N . 18388 1 1118 . 1 1 103 103 TRP NE1 N 15 130.261 0.300 . 1 . . . A 103 TRP NE1 . 18388 1 1119 . 1 1 104 104 VAL H H 1 10.072 0.020 . 1 . . . A 104 VAL H . 18388 1 1120 . 1 1 104 104 VAL HA H 1 5.936 0.020 . 1 . . . A 104 VAL HA . 18388 1 1121 . 1 1 104 104 VAL HB H 1 2.033 0.020 . 1 . . . A 104 VAL HB . 18388 1 1122 . 1 1 104 104 VAL HG11 H 1 0.842 0.020 . . . . . A 104 VAL HG11 . 18388 1 1123 . 1 1 104 104 VAL HG12 H 1 0.842 0.020 . . . . . A 104 VAL HG12 . 18388 1 1124 . 1 1 104 104 VAL HG13 H 1 0.842 0.020 . . . . . A 104 VAL HG13 . 18388 1 1125 . 1 1 104 104 VAL HG21 H 1 0.732 0.020 . . . . . A 104 VAL HG21 . 18388 1 1126 . 1 1 104 104 VAL HG22 H 1 0.732 0.020 . . . . . A 104 VAL HG22 . 18388 1 1127 . 1 1 104 104 VAL HG23 H 1 0.732 0.020 . . . . . A 104 VAL HG23 . 18388 1 1128 . 1 1 104 104 VAL C C 13 173.157 0.300 . 1 . . . A 104 VAL C . 18388 1 1129 . 1 1 104 104 VAL CA C 13 57.046 0.300 . 1 . . . A 104 VAL CA . 18388 1 1130 . 1 1 104 104 VAL CB C 13 35.223 0.300 . 1 . . . A 104 VAL CB . 18388 1 1131 . 1 1 104 104 VAL CG1 C 13 15.786 0.300 . 2 . . . A 104 VAL CG1 . 18388 1 1132 . 1 1 104 104 VAL CG2 C 13 20.033 0.300 . 2 . . . A 104 VAL CG2 . 18388 1 1133 . 1 1 104 104 VAL N N 15 113.640 0.300 . 1 . . . A 104 VAL N . 18388 1 1134 . 1 1 105 105 TYR H H 1 9.042 0.020 . 1 . . . A 105 TYR H . 18388 1 1135 . 1 1 105 105 TYR HA H 1 4.445 0.020 . 1 . . . A 105 TYR HA . 18388 1 1136 . 1 1 105 105 TYR HB2 H 1 2.075 0.020 . 2 . . . A 105 TYR HB2 . 18388 1 1137 . 1 1 105 105 TYR HB3 H 1 2.483 0.020 . 2 . . . A 105 TYR HB3 . 18388 1 1138 . 1 1 105 105 TYR HD1 H 1 6.697 0.020 . 3 . . . A 105 TYR HD1 . 18388 1 1139 . 1 1 105 105 TYR HD2 H 1 6.697 0.020 . 3 . . . A 105 TYR HD2 . 18388 1 1140 . 1 1 105 105 TYR HE1 H 1 6.685 0.020 . 3 . . . A 105 TYR HE1 . 18388 1 1141 . 1 1 105 105 TYR HE2 H 1 6.685 0.020 . 3 . . . A 105 TYR HE2 . 18388 1 1142 . 1 1 105 105 TYR C C 13 171.718 0.300 . 1 . . . A 105 TYR C . 18388 1 1143 . 1 1 105 105 TYR CA C 13 56.486 0.300 . 1 . . . A 105 TYR CA . 18388 1 1144 . 1 1 105 105 TYR CB C 13 40.749 0.300 . 1 . . . A 105 TYR CB . 18388 1 1145 . 1 1 105 105 TYR CD1 C 13 131.049 0.300 . 3 . . . A 105 TYR CD1 . 18388 1 1146 . 1 1 105 105 TYR CE1 C 13 115.476 0.300 . 3 . . . A 105 TYR CE1 . 18388 1 1147 . 1 1 105 105 TYR N N 15 123.214 0.300 . 1 . . . A 105 TYR N . 18388 1 1148 . 1 1 106 106 SER H H 1 7.675 0.020 . 1 . . . A 106 SER H . 18388 1 1149 . 1 1 106 106 SER HA H 1 5.034 0.020 . 1 . . . A 106 SER HA . 18388 1 1150 . 1 1 106 106 SER HB2 H 1 3.428 0.020 . 2 . . . A 106 SER HB2 . 18388 1 1151 . 1 1 106 106 SER HB3 H 1 3.592 0.020 . 2 . . . A 106 SER HB3 . 18388 1 1152 . 1 1 106 106 SER C C 13 170.101 0.300 . 1 . . . A 106 SER C . 18388 1 1153 . 1 1 106 106 SER CA C 13 56.663 0.300 . 1 . . . A 106 SER CA . 18388 1 1154 . 1 1 106 106 SER CB C 13 60.890 0.300 . 1 . . . A 106 SER CB . 18388 1 1155 . 1 1 106 106 SER N N 15 123.621 0.300 . 1 . . . A 106 SER N . 18388 1 1156 . 1 1 107 107 ILE H H 1 8.755 0.020 . 1 . . . A 107 ILE H . 18388 1 1157 . 1 1 107 107 ILE HA H 1 4.559 0.020 . 1 . . . A 107 ILE HA . 18388 1 1158 . 1 1 107 107 ILE HB H 1 1.835 0.020 . 1 . . . A 107 ILE HB . 18388 1 1159 . 1 1 107 107 ILE HG12 H 1 1.394 0.020 . 2 . . . A 107 ILE HG12 . 18388 1 1160 . 1 1 107 107 ILE HG13 H 1 1.561 0.020 . 2 . . . A 107 ILE HG13 . 18388 1 1161 . 1 1 107 107 ILE HG21 H 1 1.103 0.020 . . . . . A 107 ILE HG21 . 18388 1 1162 . 1 1 107 107 ILE HG22 H 1 1.103 0.020 . . . . . A 107 ILE HG22 . 18388 1 1163 . 1 1 107 107 ILE HG23 H 1 1.103 0.020 . . . . . A 107 ILE HG23 . 18388 1 1164 . 1 1 107 107 ILE HD11 H 1 1.146 0.020 . . . . . A 107 ILE HD11 . 18388 1 1165 . 1 1 107 107 ILE HD12 H 1 1.146 0.020 . . . . . A 107 ILE HD12 . 18388 1 1166 . 1 1 107 107 ILE HD13 H 1 1.146 0.020 . . . . . A 107 ILE HD13 . 18388 1 1167 . 1 1 107 107 ILE C C 13 171.191 0.300 . 1 . . . A 107 ILE C . 18388 1 1168 . 1 1 107 107 ILE CA C 13 56.820 0.300 . 1 . . . A 107 ILE CA . 18388 1 1169 . 1 1 107 107 ILE CB C 13 39.567 0.300 . 1 . . . A 107 ILE CB . 18388 1 1170 . 1 1 107 107 ILE CG1 C 13 24.439 0.300 . 1 . . . A 107 ILE CG1 . 18388 1 1171 . 1 1 107 107 ILE CG2 C 13 16.196 0.300 . 1 . . . A 107 ILE CG2 . 18388 1 1172 . 1 1 107 107 ILE CD1 C 13 12.312 0.300 . 1 . . . A 107 ILE CD1 . 18388 1 1173 . 1 1 107 107 ILE N N 15 119.859 0.300 . 1 . . . A 107 ILE N . 18388 1 1174 . 1 1 108 108 THR H H 1 8.692 0.020 . 1 . . . A 108 THR H . 18388 1 1175 . 1 1 108 108 THR HA H 1 4.803 0.020 . 1 . . . A 108 THR HA . 18388 1 1176 . 1 1 108 108 THR HB H 1 3.950 0.020 . 1 . . . A 108 THR HB . 18388 1 1177 . 1 1 108 108 THR HG21 H 1 0.921 0.020 . . . . . A 108 THR HG21 . 18388 1 1178 . 1 1 108 108 THR HG22 H 1 0.921 0.020 . . . . . A 108 THR HG22 . 18388 1 1179 . 1 1 108 108 THR HG23 H 1 0.921 0.020 . . . . . A 108 THR HG23 . 18388 1 1180 . 1 1 108 108 THR C C 13 170.167 0.300 . 1 . . . A 108 THR C . 18388 1 1181 . 1 1 108 108 THR CA C 13 56.354 0.300 . 1 . . . A 108 THR CA . 18388 1 1182 . 1 1 108 108 THR CB C 13 67.243 0.300 . 1 . . . A 108 THR CB . 18388 1 1183 . 1 1 108 108 THR CG2 C 13 18.242 0.300 . 1 . . . A 108 THR CG2 . 18388 1 1184 . 1 1 108 108 THR N N 15 118.462 0.300 . 1 . . . A 108 THR N . 18388 1 1185 . 1 1 109 109 PRO HA H 1 4.181 0.020 . 1 . . . A 109 PRO HA . 18388 1 1186 . 1 1 109 109 PRO HB2 H 1 1.836 0.020 . 2 . . . A 109 PRO HB2 . 18388 1 1187 . 1 1 109 109 PRO HB3 H 1 2.062 0.020 . 2 . . . A 109 PRO HB3 . 18388 1 1188 . 1 1 109 109 PRO HG2 H 1 1.401 0.020 . 2 . . . A 109 PRO HG2 . 18388 1 1189 . 1 1 109 109 PRO HG3 H 1 1.793 0.020 . 2 . . . A 109 PRO HG3 . 18388 1 1190 . 1 1 109 109 PRO HD2 H 1 3.550 0.020 . 2 . . . A 109 PRO HD2 . 18388 1 1191 . 1 1 109 109 PRO HD3 H 1 4.011 0.020 . 2 . . . A 109 PRO HD3 . 18388 1 1192 . 1 1 109 109 PRO C C 13 171.335 0.300 . 1 . . . A 109 PRO C . 18388 1 1193 . 1 1 109 109 PRO CA C 13 59.664 0.300 . 1 . . . A 109 PRO CA . 18388 1 1194 . 1 1 109 109 PRO CB C 13 29.828 0.300 . 1 . . . A 109 PRO CB . 18388 1 1195 . 1 1 109 109 PRO CG C 13 24.297 0.300 . 1 . . . A 109 PRO CG . 18388 1 1196 . 1 1 109 109 PRO CD C 13 48.264 0.300 . 1 . . . A 109 PRO CD . 18388 1 1197 . 1 1 110 110 ASP H H 1 8.965 0.020 . 1 . . . A 110 ASP H . 18388 1 1198 . 1 1 110 110 ASP HA H 1 4.971 0.020 . 1 . . . A 110 ASP HA . 18388 1 1199 . 1 1 110 110 ASP HB2 H 1 2.684 0.020 . 2 . . . A 110 ASP HB2 . 18388 1 1200 . 1 1 110 110 ASP HB3 H 1 2.992 0.020 . 2 . . . A 110 ASP HB3 . 18388 1 1201 . 1 1 110 110 ASP C C 13 174.045 0.300 . 1 . . . A 110 ASP C . 18388 1 1202 . 1 1 110 110 ASP CA C 13 49.837 0.300 . 1 . . . A 110 ASP CA . 18388 1 1203 . 1 1 110 110 ASP CB C 13 40.210 0.300 . 1 . . . A 110 ASP CB . 18388 1 1204 . 1 1 110 110 ASP N N 15 123.374 0.300 . 1 . . . A 110 ASP N . 18388 1 1205 . 1 1 111 111 SER H H 1 8.226 0.020 . 1 . . . A 111 SER H . 18388 1 1206 . 1 1 111 111 SER HA H 1 4.173 0.020 . 1 . . . A 111 SER HA . 18388 1 1207 . 1 1 111 111 SER HB2 H 1 3.818 0.020 . 2 . . . A 111 SER HB2 . 18388 1 1208 . 1 1 111 111 SER HB3 H 1 3.938 0.020 . 2 . . . A 111 SER HB3 . 18388 1 1209 . 1 1 111 111 SER C C 13 171.582 0.300 . 1 . . . A 111 SER C . 18388 1 1210 . 1 1 111 111 SER CA C 13 58.137 0.300 . 1 . . . A 111 SER CA . 18388 1 1211 . 1 1 111 111 SER CB C 13 60.860 0.300 . 1 . . . A 111 SER CB . 18388 1 1212 . 1 1 111 111 SER N N 15 112.070 0.300 . 1 . . . A 111 SER N . 18388 1 1213 . 1 1 112 112 SER H H 1 7.869 0.020 . 1 . . . A 112 SER H . 18388 1 1214 . 1 1 112 112 SER HA H 1 4.682 0.020 . 1 . . . A 112 SER HA . 18388 1 1215 . 1 1 112 112 SER HB2 H 1 3.695 0.020 . 2 . . . A 112 SER HB2 . 18388 1 1216 . 1 1 112 112 SER HB3 H 1 3.815 0.020 . 2 . . . A 112 SER HB3 . 18388 1 1217 . 1 1 112 112 SER C C 13 170.184 0.300 . 1 . . . A 112 SER C . 18388 1 1218 . 1 1 112 112 SER CA C 13 53.779 0.300 . 1 . . . A 112 SER CA . 18388 1 1219 . 1 1 112 112 SER CB C 13 62.682 0.300 . 1 . . . A 112 SER CB . 18388 1 1220 . 1 1 112 112 SER N N 15 116.702 0.300 . 1 . . . A 112 SER N . 18388 1 1221 . 1 1 113 113 TRP H H 1 8.260 0.020 . 1 . . . A 113 TRP H . 18388 1 1222 . 1 1 113 113 TRP HA H 1 4.355 0.020 . 1 . . . A 113 TRP HA . 18388 1 1223 . 1 1 113 113 TRP HB2 H 1 2.980 0.020 . 2 . . . A 113 TRP HB2 . 18388 1 1224 . 1 1 113 113 TRP HB3 H 1 3.130 0.020 . 2 . . . A 113 TRP HB3 . 18388 1 1225 . 1 1 113 113 TRP HD1 H 1 7.335 0.020 . 1 . . . A 113 TRP HD1 . 18388 1 1226 . 1 1 113 113 TRP HE1 H 1 10.124 0.020 . 1 . . . A 113 TRP HE1 . 18388 1 1227 . 1 1 113 113 TRP HE3 H 1 6.719 0.020 . 1 . . . A 113 TRP HE3 . 18388 1 1228 . 1 1 113 113 TRP HZ2 H 1 6.980 0.020 . 1 . . . A 113 TRP HZ2 . 18388 1 1229 . 1 1 113 113 TRP HZ3 H 1 7.258 0.020 . 1 . . . A 113 TRP HZ3 . 18388 1 1230 . 1 1 113 113 TRP HH2 H 1 6.567 0.020 . 1 . . . A 113 TRP HH2 . 18388 1 1231 . 1 1 113 113 TRP C C 13 174.499 0.300 . 1 . . . A 113 TRP C . 18388 1 1232 . 1 1 113 113 TRP CA C 13 56.619 0.300 . 1 . . . A 113 TRP CA . 18388 1 1233 . 1 1 113 113 TRP CB C 13 27.001 0.300 . 1 . . . A 113 TRP CB . 18388 1 1234 . 1 1 113 113 TRP CD1 C 13 125.029 0.300 . 1 . . . A 113 TRP CD1 . 18388 1 1235 . 1 1 113 113 TRP CZ2 C 13 111.154 0.300 . 1 . . . A 113 TRP CZ2 . 18388 1 1236 . 1 1 113 113 TRP N N 15 120.476 0.300 . 1 . . . A 113 TRP N . 18388 1 1237 . 1 1 113 113 TRP NE1 N 15 128.369 0.300 . 1 . . . A 113 TRP NE1 . 18388 1 1238 . 1 1 114 114 LYS H H 1 8.603 0.020 . 1 . . . A 114 LYS H . 18388 1 1239 . 1 1 114 114 LYS HA H 1 4.682 0.020 . 1 . . . A 114 LYS HA . 18388 1 1240 . 1 1 114 114 LYS HB2 H 1 1.797 0.020 . 2 . . . A 114 LYS HB2 . 18388 1 1241 . 1 1 114 114 LYS HB3 H 1 1.736 0.020 . 2 . . . A 114 LYS HB3 . 18388 1 1242 . 1 1 114 114 LYS HG2 H 1 1.499 0.020 . 2 . . . A 114 LYS HG2 . 18388 1 1243 . 1 1 114 114 LYS HG3 H 1 1.499 0.020 . 2 . . . A 114 LYS HG3 . 18388 1 1244 . 1 1 114 114 LYS HD2 H 1 1.489 0.020 . 2 . . . A 114 LYS HD2 . 18388 1 1245 . 1 1 114 114 LYS HD3 H 1 1.717 0.020 . 2 . . . A 114 LYS HD3 . 18388 1 1246 . 1 1 114 114 LYS HE2 H 1 2.965 0.020 . 2 . . . A 114 LYS HE2 . 18388 1 1247 . 1 1 114 114 LYS HE3 H 1 3.032 0.020 . 2 . . . A 114 LYS HE3 . 18388 1 1248 . 1 1 114 114 LYS C C 13 172.549 0.300 . 1 . . . A 114 LYS C . 18388 1 1249 . 1 1 114 114 LYS CA C 13 52.647 0.300 . 1 . . . A 114 LYS CA . 18388 1 1250 . 1 1 114 114 LYS CB C 13 33.929 0.300 . 1 . . . A 114 LYS CB . 18388 1 1251 . 1 1 114 114 LYS CG C 13 22.377 0.300 . 1 . . . A 114 LYS CG . 18388 1 1252 . 1 1 114 114 LYS CD C 13 26.378 0.300 . 1 . . . A 114 LYS CD . 18388 1 1253 . 1 1 114 114 LYS CE C 13 39.399 0.300 . 1 . . . A 114 LYS CE . 18388 1 1254 . 1 1 114 114 LYS N N 15 123.347 0.300 . 1 . . . A 114 LYS N . 18388 1 1255 . 1 1 115 115 THR H H 1 8.618 0.020 . 1 . . . A 115 THR H . 18388 1 1256 . 1 1 115 115 THR HA H 1 5.022 0.020 . 1 . . . A 115 THR HA . 18388 1 1257 . 1 1 115 115 THR HB H 1 3.728 0.020 . 1 . . . A 115 THR HB . 18388 1 1258 . 1 1 115 115 THR HG21 H 1 0.979 0.020 . . . . . A 115 THR HG21 . 18388 1 1259 . 1 1 115 115 THR HG22 H 1 0.979 0.020 . . . . . A 115 THR HG22 . 18388 1 1260 . 1 1 115 115 THR HG23 H 1 0.979 0.020 . . . . . A 115 THR HG23 . 18388 1 1261 . 1 1 115 115 THR C C 13 171.606 0.300 . 1 . . . A 115 THR C . 18388 1 1262 . 1 1 115 115 THR CA C 13 59.400 0.300 . 1 . . . A 115 THR CA . 18388 1 1263 . 1 1 115 115 THR CB C 13 66.700 0.300 . 1 . . . A 115 THR CB . 18388 1 1264 . 1 1 115 115 THR CG2 C 13 19.733 0.300 . 1 . . . A 115 THR CG2 . 18388 1 1265 . 1 1 115 115 THR N N 15 120.692 0.300 . 1 . . . A 115 THR N . 18388 1 1266 . 1 1 116 116 ILE H H 1 9.357 0.020 . 1 . . . A 116 ILE H . 18388 1 1267 . 1 1 116 116 ILE HA H 1 3.942 0.020 . 1 . . . A 116 ILE HA . 18388 1 1268 . 1 1 116 116 ILE HB H 1 1.152 0.020 . 1 . . . A 116 ILE HB . 18388 1 1269 . 1 1 116 116 ILE HG12 H 1 1.268 0.020 . . . . . A 116 ILE HG12 . 18388 1 1270 . 1 1 116 116 ILE HG13 H 1 1.268 0.020 . . . . . A 116 ILE HG13 . 18388 1 1271 . 1 1 116 116 ILE HG21 H 1 0.510 0.020 . . . . . A 116 ILE HG21 . 18388 1 1272 . 1 1 116 116 ILE HG22 H 1 0.510 0.020 . . . . . A 116 ILE HG22 . 18388 1 1273 . 1 1 116 116 ILE HG23 H 1 0.510 0.020 . . . . . A 116 ILE HG23 . 18388 1 1274 . 1 1 116 116 ILE HD11 H 1 0.739 0.020 . . . . . A 116 ILE HD11 . 18388 1 1275 . 1 1 116 116 ILE HD12 H 1 0.739 0.020 . . . . . A 116 ILE HD12 . 18388 1 1276 . 1 1 116 116 ILE HD13 H 1 0.739 0.020 . . . . . A 116 ILE HD13 . 18388 1 1277 . 1 1 116 116 ILE C C 13 170.665 0.300 . 1 . . . A 116 ILE C . 18388 1 1278 . 1 1 116 116 ILE CA C 13 56.163 0.300 . 1 . . . A 116 ILE CA . 18388 1 1279 . 1 1 116 116 ILE CB C 13 33.970 0.300 . 1 . . . A 116 ILE CB . 18388 1 1280 . 1 1 116 116 ILE CG1 C 13 24.459 0.300 . 1 . . . A 116 ILE CG1 . 18388 1 1281 . 1 1 116 116 ILE CG2 C 13 13.839 0.300 . 1 . . . A 116 ILE CG2 . 18388 1 1282 . 1 1 116 116 ILE CD1 C 13 8.262 0.300 . 1 . . . A 116 ILE CD1 . 18388 1 1283 . 1 1 116 116 ILE N N 15 132.182 0.300 . 1 . . . A 116 ILE N . 18388 1 1284 . 1 1 117 117 GLU H H 1 7.986 0.020 . 1 . . . A 117 GLU H . 18388 1 1285 . 1 1 117 117 GLU HA H 1 4.668 0.020 . 1 . . . A 117 GLU HA . 18388 1 1286 . 1 1 117 117 GLU HB2 H 1 1.757 0.020 . 2 . . . A 117 GLU HB2 . 18388 1 1287 . 1 1 117 117 GLU HB3 H 1 1.495 0.020 . 2 . . . A 117 GLU HB3 . 18388 1 1288 . 1 1 117 117 GLU HG2 H 1 1.755 0.020 . 2 . . . A 117 GLU HG2 . 18388 1 1289 . 1 1 117 117 GLU HG3 H 1 1.965 0.020 . 2 . . . A 117 GLU HG3 . 18388 1 1290 . 1 1 117 117 GLU C C 13 173.180 0.300 . 1 . . . A 117 GLU C . 18388 1 1291 . 1 1 117 117 GLU CA C 13 51.479 0.300 . 1 . . . A 117 GLU CA . 18388 1 1292 . 1 1 117 117 GLU CB C 13 29.301 0.300 . 1 . . . A 117 GLU CB . 18388 1 1293 . 1 1 117 117 GLU CG C 13 33.840 0.300 . 1 . . . A 117 GLU CG . 18388 1 1294 . 1 1 117 117 GLU N N 15 124.224 0.300 . 1 . . . A 117 GLU N . 18388 1 1295 . 1 1 118 118 ILE H H 1 9.208 0.020 . 1 . . . A 118 ILE H . 18388 1 1296 . 1 1 118 118 ILE HA H 1 4.207 0.020 . 1 . . . A 118 ILE HA . 18388 1 1297 . 1 1 118 118 ILE HB H 1 1.548 0.020 . 1 . . . A 118 ILE HB . 18388 1 1298 . 1 1 118 118 ILE HG12 H 1 -0.039 0.020 . 2 . . . A 118 ILE HG12 . 18388 1 1299 . 1 1 118 118 ILE HG13 H 1 0.953 0.020 . 2 . . . A 118 ILE HG13 . 18388 1 1300 . 1 1 118 118 ILE HG21 H 1 -0.395 0.020 . . . . . A 118 ILE HG21 . 18388 1 1301 . 1 1 118 118 ILE HG22 H 1 -0.395 0.020 . . . . . A 118 ILE HG22 . 18388 1 1302 . 1 1 118 118 ILE HG23 H 1 -0.395 0.020 . . . . . A 118 ILE HG23 . 18388 1 1303 . 1 1 118 118 ILE HD11 H 1 0.457 0.020 . . . . . A 118 ILE HD11 . 18388 1 1304 . 1 1 118 118 ILE HD12 H 1 0.457 0.020 . . . . . A 118 ILE HD12 . 18388 1 1305 . 1 1 118 118 ILE HD13 H 1 0.457 0.020 . . . . . A 118 ILE HD13 . 18388 1 1306 . 1 1 118 118 ILE C C 13 171.539 0.300 . 1 . . . A 118 ILE C . 18388 1 1307 . 1 1 118 118 ILE CA C 13 55.340 0.300 . 1 . . . A 118 ILE CA . 18388 1 1308 . 1 1 118 118 ILE CB C 13 37.096 0.300 . 1 . . . A 118 ILE CB . 18388 1 1309 . 1 1 118 118 ILE CG1 C 13 23.275 0.300 . 1 . . . A 118 ILE CG1 . 18388 1 1310 . 1 1 118 118 ILE CG2 C 13 15.805 0.300 . 1 . . . A 118 ILE CG2 . 18388 1 1311 . 1 1 118 118 ILE CD1 C 13 12.110 0.300 . 1 . . . A 118 ILE CD1 . 18388 1 1312 . 1 1 118 118 ILE N N 15 125.305 0.300 . 1 . . . A 118 ILE N . 18388 1 1313 . 1 1 119 119 PRO HA H 1 4.185 0.020 . 1 . . . A 119 PRO HA . 18388 1 1314 . 1 1 119 119 PRO HB2 H 1 1.862 0.020 . 2 . . . A 119 PRO HB2 . 18388 1 1315 . 1 1 119 119 PRO HB3 H 1 2.273 0.020 . 2 . . . A 119 PRO HB3 . 18388 1 1316 . 1 1 119 119 PRO HG2 H 1 2.139 0.020 . 2 . . . A 119 PRO HG2 . 18388 1 1317 . 1 1 119 119 PRO HG3 H 1 2.038 0.020 . 2 . . . A 119 PRO HG3 . 18388 1 1318 . 1 1 119 119 PRO HD2 H 1 3.574 0.020 . 2 . . . A 119 PRO HD2 . 18388 1 1319 . 1 1 119 119 PRO HD3 H 1 3.699 0.020 . 2 . . . A 119 PRO HD3 . 18388 1 1320 . 1 1 119 119 PRO C C 13 176.546 0.300 . 1 . . . A 119 PRO C . 18388 1 1321 . 1 1 119 119 PRO CA C 13 59.165 0.300 . 1 . . . A 119 PRO CA . 18388 1 1322 . 1 1 119 119 PRO CB C 13 28.703 0.300 . 1 . . . A 119 PRO CB . 18388 1 1323 . 1 1 119 119 PRO CG C 13 24.436 0.300 . 1 . . . A 119 PRO CG . 18388 1 1324 . 1 1 119 119 PRO CD C 13 48.267 0.300 . 1 . . . A 119 PRO CD . 18388 1 1325 . 1 1 120 120 PHE H H 1 8.057 0.020 . 1 . . . A 120 PHE H . 18388 1 1326 . 1 1 120 120 PHE HA H 1 4.835 0.020 . 1 . . . A 120 PHE HA . 18388 1 1327 . 1 1 120 120 PHE HB2 H 1 2.952 0.020 . 2 . . . A 120 PHE HB2 . 18388 1 1328 . 1 1 120 120 PHE HB3 H 1 3.239 0.020 . 2 . . . A 120 PHE HB3 . 18388 1 1329 . 1 1 120 120 PHE HD1 H 1 7.081 0.020 . 3 . . . A 120 PHE HD1 . 18388 1 1330 . 1 1 120 120 PHE HD2 H 1 7.081 0.020 . 3 . . . A 120 PHE HD2 . 18388 1 1331 . 1 1 120 120 PHE HE1 H 1 6.710 0.020 . 3 . . . A 120 PHE HE1 . 18388 1 1332 . 1 1 120 120 PHE HE2 H 1 6.710 0.020 . 3 . . . A 120 PHE HE2 . 18388 1 1333 . 1 1 120 120 PHE C C 13 175.393 0.300 . 1 . . . A 120 PHE C . 18388 1 1334 . 1 1 120 120 PHE CA C 13 58.828 0.300 . 1 . . . A 120 PHE CA . 18388 1 1335 . 1 1 120 120 PHE CB C 13 34.994 0.300 . 1 . . . A 120 PHE CB . 18388 1 1336 . 1 1 120 120 PHE CD1 C 13 128.438 0.300 . 3 . . . A 120 PHE CD1 . 18388 1 1337 . 1 1 120 120 PHE N N 15 124.941 0.300 . 1 . . . A 120 PHE N . 18388 1 1338 . 1 1 121 121 SER H H 1 8.238 0.020 . 1 . . . A 121 SER H . 18388 1 1339 . 1 1 121 121 SER HA H 1 4.428 0.020 . 1 . . . A 121 SER HA . 18388 1 1340 . 1 1 121 121 SER HB2 H 1 3.951 0.020 . 2 . . . A 121 SER HB2 . 18388 1 1341 . 1 1 121 121 SER HB3 H 1 4.202 0.020 . 2 . . . A 121 SER HB3 . 18388 1 1342 . 1 1 121 121 SER C C 13 173.065 0.300 . 1 . . . A 121 SER C . 18388 1 1343 . 1 1 121 121 SER CA C 13 57.242 0.300 . 1 . . . A 121 SER CA . 18388 1 1344 . 1 1 121 121 SER CB C 13 60.389 0.300 . 1 . . . A 121 SER CB . 18388 1 1345 . 1 1 121 121 SER N N 15 110.582 0.300 . 1 . . . A 121 SER N . 18388 1 1346 . 1 1 122 122 SER H H 1 8.407 0.020 . 1 . . . A 122 SER H . 18388 1 1347 . 1 1 122 122 SER HA H 1 4.720 0.020 . 1 . . . A 122 SER HA . 18388 1 1348 . 1 1 122 122 SER HB2 H 1 3.812 0.020 . 2 . . . A 122 SER HB2 . 18388 1 1349 . 1 1 122 122 SER HB3 H 1 4.116 0.020 . 2 . . . A 122 SER HB3 . 18388 1 1350 . 1 1 122 122 SER C C 13 172.145 0.300 . 1 . . . A 122 SER C . 18388 1 1351 . 1 1 122 122 SER CA C 13 57.380 0.300 . 1 . . . A 122 SER CA . 18388 1 1352 . 1 1 122 122 SER CB C 13 61.330 0.300 . 1 . . . A 122 SER CB . 18388 1 1353 . 1 1 122 122 SER N N 15 117.167 0.300 . 1 . . . A 122 SER N . 18388 1 1354 . 1 1 123 123 PHE H H 1 7.663 0.020 . 1 . . . A 123 PHE H . 18388 1 1355 . 1 1 123 123 PHE HA H 1 4.438 0.020 . 1 . . . A 123 PHE HA . 18388 1 1356 . 1 1 123 123 PHE HB2 H 1 3.303 0.020 . 2 . . . A 123 PHE HB2 . 18388 1 1357 . 1 1 123 123 PHE HB3 H 1 3.491 0.020 . 2 . . . A 123 PHE HB3 . 18388 1 1358 . 1 1 123 123 PHE HD1 H 1 7.511 0.020 . 3 . . . A 123 PHE HD1 . 18388 1 1359 . 1 1 123 123 PHE HD2 H 1 7.511 0.020 . 3 . . . A 123 PHE HD2 . 18388 1 1360 . 1 1 123 123 PHE HE1 H 1 7.345 0.020 . 3 . . . A 123 PHE HE1 . 18388 1 1361 . 1 1 123 123 PHE HE2 H 1 7.345 0.020 . 3 . . . A 123 PHE HE2 . 18388 1 1362 . 1 1 123 123 PHE HZ H 1 7.095 0.020 . 1 . . . A 123 PHE HZ . 18388 1 1363 . 1 1 123 123 PHE C C 13 173.487 0.300 . 1 . . . A 123 PHE C . 18388 1 1364 . 1 1 123 123 PHE CA C 13 58.515 0.300 . 1 . . . A 123 PHE CA . 18388 1 1365 . 1 1 123 123 PHE CB C 13 38.214 0.300 . 1 . . . A 123 PHE CB . 18388 1 1366 . 1 1 123 123 PHE CD1 C 13 129.113 0.300 . 3 . . . A 123 PHE CD1 . 18388 1 1367 . 1 1 123 123 PHE CE1 C 13 129.109 0.300 . 3 . . . A 123 PHE CE1 . 18388 1 1368 . 1 1 123 123 PHE N N 15 119.784 0.300 . 1 . . . A 123 PHE N . 18388 1 1369 . 1 1 124 124 ARG H H 1 9.095 0.020 . 1 . . . A 124 ARG H . 18388 1 1370 . 1 1 124 124 ARG HA H 1 5.152 0.020 . 1 . . . A 124 ARG HA . 18388 1 1371 . 1 1 124 124 ARG HB2 H 1 1.813 0.020 . 2 . . . A 124 ARG HB2 . 18388 1 1372 . 1 1 124 124 ARG HB3 H 1 1.936 0.020 . 2 . . . A 124 ARG HB3 . 18388 1 1373 . 1 1 124 124 ARG HG2 H 1 1.805 0.020 . 2 . . . A 124 ARG HG2 . 18388 1 1374 . 1 1 124 124 ARG HG3 H 1 1.805 0.020 . 2 . . . A 124 ARG HG3 . 18388 1 1375 . 1 1 124 124 ARG HD2 H 1 3.294 0.020 . 2 . . . A 124 ARG HD2 . 18388 1 1376 . 1 1 124 124 ARG HD3 H 1 3.384 0.020 . 2 . . . A 124 ARG HD3 . 18388 1 1377 . 1 1 124 124 ARG HE H 1 7.015 0.020 . 1 . . . A 124 ARG HE . 18388 1 1378 . 1 1 124 124 ARG C C 13 172.303 0.300 . 1 . . . A 124 ARG C . 18388 1 1379 . 1 1 124 124 ARG CA C 13 50.922 0.300 . 1 . . . A 124 ARG CA . 18388 1 1380 . 1 1 124 124 ARG CB C 13 30.461 0.300 . 1 . . . A 124 ARG CB . 18388 1 1381 . 1 1 124 124 ARG CG C 13 24.297 0.300 . 1 . . . A 124 ARG CG . 18388 1 1382 . 1 1 124 124 ARG CD C 13 40.534 0.300 . 1 . . . A 124 ARG CD . 18388 1 1383 . 1 1 124 124 ARG N N 15 120.152 0.300 . 1 . . . A 124 ARG N . 18388 1 1384 . 1 1 125 125 ARG H H 1 8.485 0.020 . 1 . . . A 125 ARG H . 18388 1 1385 . 1 1 125 125 ARG HA H 1 2.688 0.020 . 1 . . . A 125 ARG HA . 18388 1 1386 . 1 1 125 125 ARG HB2 H 1 0.639 0.020 . 2 . . . A 125 ARG HB2 . 18388 1 1387 . 1 1 125 125 ARG HB3 H 1 1.131 0.020 . 2 . . . A 125 ARG HB3 . 18388 1 1388 . 1 1 125 125 ARG HG2 H 1 0.305 0.020 . 2 . . . A 125 ARG HG2 . 18388 1 1389 . 1 1 125 125 ARG HG3 H 1 0.845 0.020 . 2 . . . A 125 ARG HG3 . 18388 1 1390 . 1 1 125 125 ARG HD2 H 1 2.817 0.020 . 2 . . . A 125 ARG HD2 . 18388 1 1391 . 1 1 125 125 ARG HD3 H 1 2.817 0.020 . 2 . . . A 125 ARG HD3 . 18388 1 1392 . 1 1 125 125 ARG C C 13 174.177 0.300 . 1 . . . A 125 ARG C . 18388 1 1393 . 1 1 125 125 ARG CA C 13 54.626 0.300 . 1 . . . A 125 ARG CA . 18388 1 1394 . 1 1 125 125 ARG CB C 13 27.081 0.300 . 1 . . . A 125 ARG CB . 18388 1 1395 . 1 1 125 125 ARG CG C 13 24.926 0.300 . 1 . . . A 125 ARG CG . 18388 1 1396 . 1 1 125 125 ARG CD C 13 40.573 0.300 . 1 . . . A 125 ARG CD . 18388 1 1397 . 1 1 125 125 ARG N N 15 126.671 0.300 . 1 . . . A 125 ARG N . 18388 1 1398 . 1 1 126 126 ARG H H 1 7.756 0.020 . 1 . . . A 126 ARG H . 18388 1 1399 . 1 1 126 126 ARG HA H 1 3.742 0.020 . 1 . . . A 126 ARG HA . 18388 1 1400 . 1 1 126 126 ARG HB2 H 1 1.223 0.020 . 2 . . . A 126 ARG HB2 . 18388 1 1401 . 1 1 126 126 ARG HB3 H 1 2.391 0.020 . 2 . . . A 126 ARG HB3 . 18388 1 1402 . 1 1 126 126 ARG HG2 H 1 1.612 0.020 . 2 . . . A 126 ARG HG2 . 18388 1 1403 . 1 1 126 126 ARG HG3 H 1 1.686 0.020 . 2 . . . A 126 ARG HG3 . 18388 1 1404 . 1 1 126 126 ARG HD2 H 1 2.858 0.020 . 2 . . . A 126 ARG HD2 . 18388 1 1405 . 1 1 126 126 ARG HD3 H 1 2.858 0.020 . 2 . . . A 126 ARG HD3 . 18388 1 1406 . 1 1 126 126 ARG C C 13 173.837 0.300 . 1 . . . A 126 ARG C . 18388 1 1407 . 1 1 126 126 ARG CA C 13 55.420 0.300 . 1 . . . A 126 ARG CA . 18388 1 1408 . 1 1 126 126 ARG CB C 13 29.413 0.300 . 1 . . . A 126 ARG CB . 18388 1 1409 . 1 1 126 126 ARG CG C 13 25.687 0.300 . 1 . . . A 126 ARG CG . 18388 1 1410 . 1 1 126 126 ARG CD C 13 42.538 0.300 . 1 . . . A 126 ARG CD . 18388 1 1411 . 1 1 126 126 ARG N N 15 126.533 0.300 . 1 . . . A 126 ARG N . 18388 1 1412 . 1 1 127 127 LEU H H 1 8.746 0.020 . 1 . . . A 127 LEU H . 18388 1 1413 . 1 1 127 127 LEU HA H 1 4.411 0.020 . 1 . . . A 127 LEU HA . 18388 1 1414 . 1 1 127 127 LEU HB2 H 1 1.425 0.020 . 2 . . . A 127 LEU HB2 . 18388 1 1415 . 1 1 127 127 LEU HB3 H 1 1.645 0.020 . 2 . . . A 127 LEU HB3 . 18388 1 1416 . 1 1 127 127 LEU HG H 1 1.710 0.020 . 1 . . . A 127 LEU HG . 18388 1 1417 . 1 1 127 127 LEU HD11 H 1 0.854 0.020 . . . . . A 127 LEU HD11 . 18388 1 1418 . 1 1 127 127 LEU HD12 H 1 0.854 0.020 . . . . . A 127 LEU HD12 . 18388 1 1419 . 1 1 127 127 LEU HD13 H 1 0.854 0.020 . . . . . A 127 LEU HD13 . 18388 1 1420 . 1 1 127 127 LEU HD21 H 1 0.718 0.020 . . . . . A 127 LEU HD21 . 18388 1 1421 . 1 1 127 127 LEU HD22 H 1 0.718 0.020 . . . . . A 127 LEU HD22 . 18388 1 1422 . 1 1 127 127 LEU HD23 H 1 0.718 0.020 . . . . . A 127 LEU HD23 . 18388 1 1423 . 1 1 127 127 LEU C C 13 175.632 0.300 . 1 . . . A 127 LEU C . 18388 1 1424 . 1 1 127 127 LEU CA C 13 52.824 0.300 . 1 . . . A 127 LEU CA . 18388 1 1425 . 1 1 127 127 LEU CB C 13 40.994 0.300 . 1 . . . A 127 LEU CB . 18388 1 1426 . 1 1 127 127 LEU CG C 13 23.254 0.300 . 1 . . . A 127 LEU CG . 18388 1 1427 . 1 1 127 127 LEU CD1 C 13 22.252 0.300 . 2 . . . A 127 LEU CD1 . 18388 1 1428 . 1 1 127 127 LEU CD2 C 13 19.894 0.300 . 2 . . . A 127 LEU CD2 . 18388 1 1429 . 1 1 127 127 LEU N N 15 124.291 0.300 . 1 . . . A 127 LEU N . 18388 1 1430 . 1 1 128 128 ASP H H 1 8.923 0.020 . 1 . . . A 128 ASP H . 18388 1 1431 . 1 1 128 128 ASP HA H 1 4.346 0.020 . 1 . . . A 128 ASP HA . 18388 1 1432 . 1 1 128 128 ASP HB2 H 1 2.736 0.020 . 2 . . . A 128 ASP HB2 . 18388 1 1433 . 1 1 128 128 ASP HB3 H 1 2.622 0.020 . 2 . . . A 128 ASP HB3 . 18388 1 1434 . 1 1 128 128 ASP C C 13 172.299 0.300 . 1 . . . A 128 ASP C . 18388 1 1435 . 1 1 128 128 ASP CA C 13 52.295 0.300 . 1 . . . A 128 ASP CA . 18388 1 1436 . 1 1 128 128 ASP CB C 13 36.198 0.300 . 1 . . . A 128 ASP CB . 18388 1 1437 . 1 1 128 128 ASP N N 15 116.139 0.300 . 1 . . . A 128 ASP N . 18388 1 1438 . 1 1 129 129 TYR H H 1 6.808 0.020 . 1 . . . A 129 TYR H . 18388 1 1439 . 1 1 129 129 TYR HA H 1 4.158 0.020 . 1 . . . A 129 TYR HA . 18388 1 1440 . 1 1 129 129 TYR HB2 H 1 3.120 0.020 . 2 . . . A 129 TYR HB2 . 18388 1 1441 . 1 1 129 129 TYR HB3 H 1 1.834 0.020 . 2 . . . A 129 TYR HB3 . 18388 1 1442 . 1 1 129 129 TYR HD1 H 1 6.782 0.020 . 3 . . . A 129 TYR HD1 . 18388 1 1443 . 1 1 129 129 TYR HD2 H 1 6.782 0.020 . 3 . . . A 129 TYR HD2 . 18388 1 1444 . 1 1 129 129 TYR HE1 H 1 6.457 0.020 . 3 . . . A 129 TYR HE1 . 18388 1 1445 . 1 1 129 129 TYR HE2 H 1 6.457 0.020 . 3 . . . A 129 TYR HE2 . 18388 1 1446 . 1 1 129 129 TYR C C 13 169.718 0.300 . 1 . . . A 129 TYR C . 18388 1 1447 . 1 1 129 129 TYR CA C 13 56.097 0.300 . 1 . . . A 129 TYR CA . 18388 1 1448 . 1 1 129 129 TYR CB C 13 38.202 0.300 . 1 . . . A 129 TYR CB . 18388 1 1449 . 1 1 129 129 TYR CD1 C 13 129.746 0.300 . 3 . . . A 129 TYR CD1 . 18388 1 1450 . 1 1 129 129 TYR CE1 C 13 114.967 0.300 . 3 . . . A 129 TYR CE1 . 18388 1 1451 . 1 1 129 129 TYR N N 15 119.358 0.300 . 1 . . . A 129 TYR N . 18388 1 1452 . 1 1 130 130 GLN H H 1 6.138 0.020 . 1 . . . A 130 GLN H . 18388 1 1453 . 1 1 130 130 GLN HA H 1 3.665 0.020 . 1 . . . A 130 GLN HA . 18388 1 1454 . 1 1 130 130 GLN HB2 H 1 1.023 0.020 . 2 . . . A 130 GLN HB2 . 18388 1 1455 . 1 1 130 130 GLN HB3 H 1 1.517 0.020 . 2 . . . A 130 GLN HB3 . 18388 1 1456 . 1 1 130 130 GLN HE21 H 1 7.545 0.020 . 2 . . . A 130 GLN HE21 . 18388 1 1457 . 1 1 130 130 GLN HE22 H 1 6.929 0.020 . 2 . . . A 130 GLN HE22 . 18388 1 1458 . 1 1 130 130 GLN C C 13 170.005 0.300 . 1 . . . A 130 GLN C . 18388 1 1459 . 1 1 130 130 GLN CA C 13 49.525 0.300 . 1 . . . A 130 GLN CA . 18388 1 1460 . 1 1 130 130 GLN CB C 13 29.471 0.300 . 1 . . . A 130 GLN CB . 18388 1 1461 . 1 1 130 130 GLN CG C 13 28.560 0.300 . 1 . . . A 130 GLN CG . 18388 1 1462 . 1 1 130 130 GLN N N 15 121.192 0.300 . 1 . . . A 130 GLN N . 18388 1 1463 . 1 1 130 130 GLN NE2 N 15 107.537 0.300 . 1 . . . A 130 GLN NE2 . 18388 1 1464 . 1 1 132 132 PRO HA H 1 4.202 0.020 . 1 . . . A 132 PRO HA . 18388 1 1465 . 1 1 132 132 PRO HB2 H 1 1.852 0.020 . 2 . . . A 132 PRO HB2 . 18388 1 1466 . 1 1 132 132 PRO HB3 H 1 2.278 0.020 . 2 . . . A 132 PRO HB3 . 18388 1 1467 . 1 1 132 132 PRO HG2 H 1 2.072 0.020 . 2 . . . A 132 PRO HG2 . 18388 1 1468 . 1 1 132 132 PRO HG3 H 1 1.995 0.020 . 2 . . . A 132 PRO HG3 . 18388 1 1469 . 1 1 132 132 PRO HD2 H 1 3.615 0.020 . 2 . . . A 132 PRO HD2 . 18388 1 1470 . 1 1 132 132 PRO HD3 H 1 3.743 0.020 . 2 . . . A 132 PRO HD3 . 18388 1 1471 . 1 1 132 132 PRO C C 13 175.618 0.300 . 1 . . . A 132 PRO C . 18388 1 1472 . 1 1 132 132 PRO CA C 13 61.875 0.300 . 1 . . . A 132 PRO CA . 18388 1 1473 . 1 1 132 132 PRO CB C 13 28.813 0.300 . 1 . . . A 132 PRO CB . 18388 1 1474 . 1 1 132 132 PRO CG C 13 24.727 0.300 . 1 . . . A 132 PRO CG . 18388 1 1475 . 1 1 132 132 PRO CD C 13 47.378 0.300 . 1 . . . A 132 PRO CD . 18388 1 1476 . 1 1 133 133 GLY H H 1 8.204 0.020 . 1 . . . A 133 GLY H . 18388 1 1477 . 1 1 133 133 GLY HA2 H 1 3.793 0.020 . 2 . . . A 133 GLY HA2 . 18388 1 1478 . 1 1 133 133 GLY HA3 H 1 4.061 0.020 . 2 . . . A 133 GLY HA3 . 18388 1 1479 . 1 1 133 133 GLY C C 13 170.992 0.300 . 1 . . . A 133 GLY C . 18388 1 1480 . 1 1 133 133 GLY CA C 13 42.218 0.300 . 1 . . . A 133 GLY CA . 18388 1 1481 . 1 1 133 133 GLY N N 15 104.622 0.300 . 1 . . . A 133 GLY N . 18388 1 1482 . 1 1 134 134 GLN H H 1 7.066 0.020 . 1 . . . A 134 GLN H . 18388 1 1483 . 1 1 134 134 GLN HA H 1 4.167 0.020 . 1 . . . A 134 GLN HA . 18388 1 1484 . 1 1 134 134 GLN HB2 H 1 1.650 0.020 . 2 . . . A 134 GLN HB2 . 18388 1 1485 . 1 1 134 134 GLN HB3 H 1 2.239 0.020 . 2 . . . A 134 GLN HB3 . 18388 1 1486 . 1 1 134 134 GLN HG2 H 1 2.144 0.020 . 2 . . . A 134 GLN HG2 . 18388 1 1487 . 1 1 134 134 GLN HG3 H 1 2.144 0.020 . 2 . . . A 134 GLN HG3 . 18388 1 1488 . 1 1 134 134 GLN HE21 H 1 7.228 0.020 . 2 . . . A 134 GLN HE21 . 18388 1 1489 . 1 1 134 134 GLN HE22 H 1 6.575 0.020 . 2 . . . A 134 GLN HE22 . 18388 1 1490 . 1 1 134 134 GLN C C 13 172.738 0.300 . 1 . . . A 134 GLN C . 18388 1 1491 . 1 1 134 134 GLN CA C 13 53.658 0.300 . 1 . . . A 134 GLN CA . 18388 1 1492 . 1 1 134 134 GLN CB C 13 24.577 0.300 . 1 . . . A 134 GLN CB . 18388 1 1493 . 1 1 134 134 GLN CG C 13 33.285 0.300 . 1 . . . A 134 GLN CG . 18388 1 1494 . 1 1 134 134 GLN CD C 13 174.969 0.300 . 1 . . . A 134 GLN CD . 18388 1 1495 . 1 1 134 134 GLN N N 15 116.451 0.300 . 1 . . . A 134 GLN N . 18388 1 1496 . 1 1 134 134 GLN NE2 N 15 108.763 0.300 . 1 . . . A 134 GLN NE2 . 18388 1 1497 . 1 1 135 135 ASP H H 1 8.722 0.020 . 1 . . . A 135 ASP H . 18388 1 1498 . 1 1 135 135 ASP HA H 1 4.153 0.020 . 1 . . . A 135 ASP HA . 18388 1 1499 . 1 1 135 135 ASP HB2 H 1 2.957 0.020 . 2 . . . A 135 ASP HB2 . 18388 1 1500 . 1 1 135 135 ASP HB3 H 1 2.957 0.020 . 2 . . . A 135 ASP HB3 . 18388 1 1501 . 1 1 135 135 ASP C C 13 174.168 0.300 . 1 . . . A 135 ASP C . 18388 1 1502 . 1 1 135 135 ASP CA C 13 51.528 0.300 . 1 . . . A 135 ASP CA . 18388 1 1503 . 1 1 135 135 ASP CB C 13 36.519 0.300 . 1 . . . A 135 ASP CB . 18388 1 1504 . 1 1 135 135 ASP N N 15 118.307 0.300 . 1 . . . A 135 ASP N . 18388 1 1505 . 1 1 136 136 MET H H 1 7.380 0.020 . 1 . . . A 136 MET H . 18388 1 1506 . 1 1 136 136 MET HA H 1 3.852 0.020 . 1 . . . A 136 MET HA . 18388 1 1507 . 1 1 136 136 MET HB2 H 1 1.999 0.020 . 2 . . . A 136 MET HB2 . 18388 1 1508 . 1 1 136 136 MET HB3 H 1 2.234 0.020 . 2 . . . A 136 MET HB3 . 18388 1 1509 . 1 1 136 136 MET HG2 H 1 2.289 0.020 . 2 . . . A 136 MET HG2 . 18388 1 1510 . 1 1 136 136 MET HG3 H 1 2.289 0.020 . 2 . . . A 136 MET HG3 . 18388 1 1511 . 1 1 136 136 MET C C 13 174.110 0.300 . 1 . . . A 136 MET C . 18388 1 1512 . 1 1 136 136 MET CA C 13 54.294 0.300 . 1 . . . A 136 MET CA . 18388 1 1513 . 1 1 136 136 MET CB C 13 29.105 0.300 . 1 . . . A 136 MET CB . 18388 1 1514 . 1 1 136 136 MET CG C 13 29.714 0.300 . 1 . . . A 136 MET CG . 18388 1 1515 . 1 1 136 136 MET N N 15 114.437 0.300 . 1 . . . A 136 MET N . 18388 1 1516 . 1 1 137 137 SER H H 1 9.002 0.020 . 1 . . . A 137 SER H . 18388 1 1517 . 1 1 137 137 SER HA H 1 4.183 0.020 . 1 . . . A 137 SER HA . 18388 1 1518 . 1 1 137 137 SER HB2 H 1 3.628 0.020 . 2 . . . A 137 SER HB2 . 18388 1 1519 . 1 1 137 137 SER HB3 H 1 3.840 0.020 . 2 . . . A 137 SER HB3 . 18388 1 1520 . 1 1 137 137 SER C C 13 174.679 0.300 . 1 . . . A 137 SER C . 18388 1 1521 . 1 1 137 137 SER CA C 13 57.691 0.300 . 1 . . . A 137 SER CA . 18388 1 1522 . 1 1 137 137 SER CB C 13 62.156 0.300 . 1 . . . A 137 SER CB . 18388 1 1523 . 1 1 137 137 SER N N 15 118.197 0.300 . 1 . . . A 137 SER N . 18388 1 1524 . 1 1 138 138 GLY H H 1 10.464 0.020 . 1 . . . A 138 GLY H . 18388 1 1525 . 1 1 138 138 GLY HA2 H 1 3.542 0.020 . 2 . . . A 138 GLY HA2 . 18388 1 1526 . 1 1 138 138 GLY HA3 H 1 4.163 0.020 . 2 . . . A 138 GLY HA3 . 18388 1 1527 . 1 1 138 138 GLY C C 13 170.740 0.300 . 1 . . . A 138 GLY C . 18388 1 1528 . 1 1 138 138 GLY CA C 13 44.014 0.300 . 1 . . . A 138 GLY CA . 18388 1 1529 . 1 1 138 138 GLY N N 15 114.627 0.300 . 1 . . . A 138 GLY N . 18388 1 1530 . 1 1 139 139 THR H H 1 8.316 0.020 . 1 . . . A 139 THR H . 18388 1 1531 . 1 1 139 139 THR HA H 1 4.316 0.020 . 1 . . . A 139 THR HA . 18388 1 1532 . 1 1 139 139 THR HB H 1 3.953 0.020 . 1 . . . A 139 THR HB . 18388 1 1533 . 1 1 139 139 THR HG21 H 1 1.065 0.020 . . . . . A 139 THR HG21 . 18388 1 1534 . 1 1 139 139 THR HG22 H 1 1.065 0.020 . . . . . A 139 THR HG22 . 18388 1 1535 . 1 1 139 139 THR HG23 H 1 1.065 0.020 . . . . . A 139 THR HG23 . 18388 1 1536 . 1 1 139 139 THR C C 13 167.706 0.300 . 1 . . . A 139 THR C . 18388 1 1537 . 1 1 139 139 THR CA C 13 56.872 0.300 . 1 . . . A 139 THR CA . 18388 1 1538 . 1 1 139 139 THR CB C 13 68.681 0.300 . 1 . . . A 139 THR CB . 18388 1 1539 . 1 1 139 139 THR CG2 C 13 18.865 0.300 . 1 . . . A 139 THR CG2 . 18388 1 1540 . 1 1 139 139 THR N N 15 112.487 0.300 . 1 . . . A 139 THR N . 18388 1 1541 . 1 1 140 140 LEU H H 1 7.781 0.020 . 1 . . . A 140 LEU H . 18388 1 1542 . 1 1 140 140 LEU HA H 1 3.541 0.020 . 1 . . . A 140 LEU HA . 18388 1 1543 . 1 1 140 140 LEU HB2 H 1 -1.119 0.020 . 2 . . . A 140 LEU HB2 . 18388 1 1544 . 1 1 140 140 LEU HB3 H 1 0.789 0.020 . 2 . . . A 140 LEU HB3 . 18388 1 1545 . 1 1 140 140 LEU HG H 1 0.029 0.020 . 1 . . . A 140 LEU HG . 18388 1 1546 . 1 1 140 140 LEU HD11 H 1 0.304 0.020 . . . . . A 140 LEU HD11 . 18388 1 1547 . 1 1 140 140 LEU HD12 H 1 0.304 0.020 . . . . . A 140 LEU HD12 . 18388 1 1548 . 1 1 140 140 LEU HD13 H 1 0.304 0.020 . . . . . A 140 LEU HD13 . 18388 1 1549 . 1 1 140 140 LEU HD21 H 1 0.627 0.020 . . . . . A 140 LEU HD21 . 18388 1 1550 . 1 1 140 140 LEU HD22 H 1 0.627 0.020 . . . . . A 140 LEU HD22 . 18388 1 1551 . 1 1 140 140 LEU HD23 H 1 0.627 0.020 . . . . . A 140 LEU HD23 . 18388 1 1552 . 1 1 140 140 LEU C C 13 171.936 0.300 . 1 . . . A 140 LEU C . 18388 1 1553 . 1 1 140 140 LEU CA C 13 50.995 0.300 . 1 . . . A 140 LEU CA . 18388 1 1554 . 1 1 140 140 LEU CB C 13 35.512 0.300 . 1 . . . A 140 LEU CB . 18388 1 1555 . 1 1 140 140 LEU CG C 13 18.852 0.300 . 1 . . . A 140 LEU CG . 18388 1 1556 . 1 1 140 140 LEU CD1 C 13 22.999 0.300 . 2 . . . A 140 LEU CD1 . 18388 1 1557 . 1 1 140 140 LEU CD2 C 13 23.746 0.300 . 2 . . . A 140 LEU CD2 . 18388 1 1558 . 1 1 140 140 LEU N N 15 129.766 0.300 . 1 . . . A 140 LEU N . 18388 1 1559 . 1 1 141 141 ASP H H 1 8.954 0.020 . 1 . . . A 141 ASP H . 18388 1 1560 . 1 1 141 141 ASP HA H 1 4.484 0.020 . 1 . . . A 141 ASP HA . 18388 1 1561 . 1 1 141 141 ASP HB2 H 1 2.380 0.020 . 2 . . . A 141 ASP HB2 . 18388 1 1562 . 1 1 141 141 ASP HB3 H 1 2.471 0.020 . 2 . . . A 141 ASP HB3 . 18388 1 1563 . 1 1 141 141 ASP C C 13 171.901 0.300 . 1 . . . A 141 ASP C . 18388 1 1564 . 1 1 141 141 ASP CA C 13 51.431 0.300 . 1 . . . A 141 ASP CA . 18388 1 1565 . 1 1 141 141 ASP CB C 13 38.219 0.300 . 1 . . . A 141 ASP CB . 18388 1 1566 . 1 1 141 141 ASP N N 15 132.063 0.300 . 1 . . . A 141 ASP N . 18388 1 1567 . 1 1 142 142 LEU H H 1 7.702 0.020 . 1 . . . A 142 LEU H . 18388 1 1568 . 1 1 142 142 LEU HA H 1 3.540 0.020 . 1 . . . A 142 LEU HA . 18388 1 1569 . 1 1 142 142 LEU HB2 H 1 1.087 0.020 . 2 . . . A 142 LEU HB2 . 18388 1 1570 . 1 1 142 142 LEU HB3 H 1 1.426 0.020 . 2 . . . A 142 LEU HB3 . 18388 1 1571 . 1 1 142 142 LEU HG H 1 -0.022 0.020 . 1 . . . A 142 LEU HG . 18388 1 1572 . 1 1 142 142 LEU HD11 H 1 0.811 0.020 . . . . . A 142 LEU HD11 . 18388 1 1573 . 1 1 142 142 LEU HD12 H 1 0.811 0.020 . . . . . A 142 LEU HD12 . 18388 1 1574 . 1 1 142 142 LEU HD13 H 1 0.811 0.020 . . . . . A 142 LEU HD13 . 18388 1 1575 . 1 1 142 142 LEU HD21 H 1 1.301 0.020 . . . . . A 142 LEU HD21 . 18388 1 1576 . 1 1 142 142 LEU HD22 H 1 1.301 0.020 . . . . . A 142 LEU HD22 . 18388 1 1577 . 1 1 142 142 LEU HD23 H 1 1.301 0.020 . . . . . A 142 LEU HD23 . 18388 1 1578 . 1 1 142 142 LEU C C 13 172.708 0.300 . 1 . . . A 142 LEU C . 18388 1 1579 . 1 1 142 142 LEU CA C 13 53.629 0.300 . 1 . . . A 142 LEU CA . 18388 1 1580 . 1 1 142 142 LEU CB C 13 39.628 0.300 . 1 . . . A 142 LEU CB . 18388 1 1581 . 1 1 142 142 LEU CG C 13 18.267 0.300 . 1 . . . A 142 LEU CG . 18388 1 1582 . 1 1 142 142 LEU CD1 C 13 22.958 0.300 . 2 . . . A 142 LEU CD1 . 18388 1 1583 . 1 1 142 142 LEU CD2 C 13 24.061 0.300 . 2 . . . A 142 LEU CD2 . 18388 1 1584 . 1 1 142 142 LEU N N 15 122.475 0.300 . 1 . . . A 142 LEU N . 18388 1 1585 . 1 1 143 143 ASP H H 1 8.253 0.020 . 1 . . . A 143 ASP H . 18388 1 1586 . 1 1 143 143 ASP HA H 1 4.718 0.020 . 1 . . . A 143 ASP HA . 18388 1 1587 . 1 1 143 143 ASP HB2 H 1 2.412 0.020 . 2 . . . A 143 ASP HB2 . 18388 1 1588 . 1 1 143 143 ASP HB3 H 1 2.743 0.020 . 2 . . . A 143 ASP HB3 . 18388 1 1589 . 1 1 143 143 ASP C C 13 173.424 0.300 . 1 . . . A 143 ASP C . 18388 1 1590 . 1 1 143 143 ASP CA C 13 50.882 0.300 . 1 . . . A 143 ASP CA . 18388 1 1591 . 1 1 143 143 ASP CB C 13 37.017 0.300 . 1 . . . A 143 ASP CB . 18388 1 1592 . 1 1 143 143 ASP N N 15 112.399 0.300 . 1 . . . A 143 ASP N . 18388 1 1593 . 1 1 144 144 ASN H H 1 7.681 0.020 . 1 . . . A 144 ASN H . 18388 1 1594 . 1 1 144 144 ASN HA H 1 4.881 0.020 . 1 . . . A 144 ASN HA . 18388 1 1595 . 1 1 144 144 ASN HB2 H 1 2.117 0.020 . 2 . . . A 144 ASN HB2 . 18388 1 1596 . 1 1 144 144 ASN HB3 H 1 2.737 0.020 . 2 . . . A 144 ASN HB3 . 18388 1 1597 . 1 1 144 144 ASN HD21 H 1 7.601 0.020 . 2 . . . A 144 ASN HD21 . 18388 1 1598 . 1 1 144 144 ASN HD22 H 1 6.600 0.020 . 2 . . . A 144 ASN HD22 . 18388 1 1599 . 1 1 144 144 ASN C C 13 171.019 0.300 . 1 . . . A 144 ASN C . 18388 1 1600 . 1 1 144 144 ASN CA C 13 49.153 0.300 . 1 . . . A 144 ASN CA . 18388 1 1601 . 1 1 144 144 ASN CB C 13 37.920 0.300 . 1 . . . A 144 ASN CB . 18388 1 1602 . 1 1 144 144 ASN N N 15 120.693 0.300 . 1 . . . A 144 ASN N . 18388 1 1603 . 1 1 144 144 ASN ND2 N 15 111.913 0.300 . 1 . . . A 144 ASN ND2 . 18388 1 1604 . 1 1 145 145 ILE H H 1 8.703 0.020 . 1 . . . A 145 ILE H . 18388 1 1605 . 1 1 145 145 ILE HA H 1 3.597 0.020 . 1 . . . A 145 ILE HA . 18388 1 1606 . 1 1 145 145 ILE HB H 1 0.955 0.020 . 1 . . . A 145 ILE HB . 18388 1 1607 . 1 1 145 145 ILE HG12 H 1 0.199 0.020 . 2 . . . A 145 ILE HG12 . 18388 1 1608 . 1 1 145 145 ILE HG13 H 1 1.116 0.020 . 2 . . . A 145 ILE HG13 . 18388 1 1609 . 1 1 145 145 ILE HG21 H 1 -0.326 0.020 . . . . . A 145 ILE HG21 . 18388 1 1610 . 1 1 145 145 ILE HG22 H 1 -0.326 0.020 . . . . . A 145 ILE HG22 . 18388 1 1611 . 1 1 145 145 ILE HG23 H 1 -0.326 0.020 . . . . . A 145 ILE HG23 . 18388 1 1612 . 1 1 145 145 ILE HD11 H 1 0.001 0.020 . . . . . A 145 ILE HD11 . 18388 1 1613 . 1 1 145 145 ILE HD12 H 1 0.001 0.020 . . . . . A 145 ILE HD12 . 18388 1 1614 . 1 1 145 145 ILE HD13 H 1 0.001 0.020 . . . . . A 145 ILE HD13 . 18388 1 1615 . 1 1 145 145 ILE C C 13 172.200 0.300 . 1 . . . A 145 ILE C . 18388 1 1616 . 1 1 145 145 ILE CA C 13 57.637 0.300 . 1 . . . A 145 ILE CA . 18388 1 1617 . 1 1 145 145 ILE CB C 13 32.982 0.300 . 1 . . . A 145 ILE CB . 18388 1 1618 . 1 1 145 145 ILE CG1 C 13 22.418 0.300 . 1 . . . A 145 ILE CG1 . 18388 1 1619 . 1 1 145 145 ILE CG2 C 13 14.567 0.300 . 1 . . . A 145 ILE CG2 . 18388 1 1620 . 1 1 145 145 ILE CD1 C 13 6.749 0.300 . 1 . . . A 145 ILE CD1 . 18388 1 1621 . 1 1 145 145 ILE N N 15 122.946 0.300 . 1 . . . A 145 ILE N . 18388 1 1622 . 1 1 146 146 ASP H H 1 9.194 0.020 . 1 . . . A 146 ASP H . 18388 1 1623 . 1 1 146 146 ASP HA H 1 4.431 0.020 . 1 . . . A 146 ASP HA . 18388 1 1624 . 1 1 146 146 ASP HB2 H 1 2.030 0.020 . 2 . . . A 146 ASP HB2 . 18388 1 1625 . 1 1 146 146 ASP HB3 H 1 2.356 0.020 . 2 . . . A 146 ASP HB3 . 18388 1 1626 . 1 1 146 146 ASP C C 13 172.775 0.300 . 1 . . . A 146 ASP C . 18388 1 1627 . 1 1 146 146 ASP CA C 13 53.026 0.300 . 1 . . . A 146 ASP CA . 18388 1 1628 . 1 1 146 146 ASP CB C 13 43.625 0.300 . 1 . . . A 146 ASP CB . 18388 1 1629 . 1 1 146 146 ASP N N 15 125.274 0.300 . 1 . . . A 146 ASP N . 18388 1 1630 . 1 1 147 147 SER H H 1 7.765 0.020 . 1 . . . A 147 SER H . 18388 1 1631 . 1 1 147 147 SER HA H 1 4.851 0.020 . 1 . . . A 147 SER HA . 18388 1 1632 . 1 1 147 147 SER HB2 H 1 3.212 0.020 . 2 . . . A 147 SER HB2 . 18388 1 1633 . 1 1 147 147 SER HB3 H 1 3.727 0.020 . 2 . . . A 147 SER HB3 . 18388 1 1634 . 1 1 147 147 SER C C 13 169.692 0.300 . 1 . . . A 147 SER C . 18388 1 1635 . 1 1 147 147 SER CA C 13 54.325 0.300 . 1 . . . A 147 SER CA . 18388 1 1636 . 1 1 147 147 SER CB C 13 62.346 0.300 . 1 . . . A 147 SER CB . 18388 1 1637 . 1 1 147 147 SER N N 15 108.415 0.300 . 1 . . . A 147 SER N . 18388 1 1638 . 1 1 148 148 ILE H H 1 7.831 0.020 . 1 . . . A 148 ILE H . 18388 1 1639 . 1 1 148 148 ILE HA H 1 5.463 0.020 . 1 . . . A 148 ILE HA . 18388 1 1640 . 1 1 148 148 ILE HB H 1 2.017 0.020 . 1 . . . A 148 ILE HB . 18388 1 1641 . 1 1 148 148 ILE HG12 H 1 1.921 0.020 . . . . . A 148 ILE HG12 . 18388 1 1642 . 1 1 148 148 ILE HG13 H 1 1.921 0.020 . . . . . A 148 ILE HG13 . 18388 1 1643 . 1 1 148 148 ILE HG21 H 1 1.164 0.020 . . . . . A 148 ILE HG21 . 18388 1 1644 . 1 1 148 148 ILE HG22 H 1 1.164 0.020 . . . . . A 148 ILE HG22 . 18388 1 1645 . 1 1 148 148 ILE HG23 H 1 1.164 0.020 . . . . . A 148 ILE HG23 . 18388 1 1646 . 1 1 148 148 ILE HD11 H 1 1.308 0.020 . . . . . A 148 ILE HD11 . 18388 1 1647 . 1 1 148 148 ILE HD12 H 1 1.308 0.020 . . . . . A 148 ILE HD12 . 18388 1 1648 . 1 1 148 148 ILE HD13 H 1 1.308 0.020 . . . . . A 148 ILE HD13 . 18388 1 1649 . 1 1 148 148 ILE C C 13 171.705 0.300 . 1 . . . A 148 ILE C . 18388 1 1650 . 1 1 148 148 ILE CA C 13 56.312 0.300 . 1 . . . A 148 ILE CA . 18388 1 1651 . 1 1 148 148 ILE CB C 13 38.556 0.300 . 1 . . . A 148 ILE CB . 18388 1 1652 . 1 1 148 148 ILE CG1 C 13 22.648 0.300 . 1 . . . A 148 ILE CG1 . 18388 1 1653 . 1 1 148 148 ILE CG2 C 13 17.719 0.300 . 1 . . . A 148 ILE CG2 . 18388 1 1654 . 1 1 148 148 ILE CD1 C 13 11.567 0.300 . 1 . . . A 148 ILE CD1 . 18388 1 1655 . 1 1 148 148 ILE N N 15 109.704 0.300 . 1 . . . A 148 ILE N . 18388 1 1656 . 1 1 149 149 HIS H H 1 9.155 0.020 . 1 . . . A 149 HIS H . 18388 1 1657 . 1 1 149 149 HIS HA H 1 6.324 0.020 . 1 . . . A 149 HIS HA . 18388 1 1658 . 1 1 149 149 HIS HB2 H 1 2.674 0.020 . 2 . . . A 149 HIS HB2 . 18388 1 1659 . 1 1 149 149 HIS HB3 H 1 3.077 0.020 . 2 . . . A 149 HIS HB3 . 18388 1 1660 . 1 1 149 149 HIS HD1 H 1 9.482 0.020 . 1 . . . A 149 HIS HD1 . 18388 1 1661 . 1 1 149 149 HIS HD2 H 1 6.273 0.020 . 1 . . . A 149 HIS HD2 . 18388 1 1662 . 1 1 149 149 HIS HE1 H 1 7.493 0.020 . 1 . . . A 149 HIS HE1 . 18388 1 1663 . 1 1 149 149 HIS C C 13 174.039 0.300 . 1 . . . A 149 HIS C . 18388 1 1664 . 1 1 149 149 HIS CA C 13 51.670 0.300 . 1 . . . A 149 HIS CA . 18388 1 1665 . 1 1 149 149 HIS CB C 13 33.792 0.300 . 1 . . . A 149 HIS CB . 18388 1 1666 . 1 1 149 149 HIS CD2 C 13 113.271 0.300 . 1 . . . A 149 HIS CD2 . 18388 1 1667 . 1 1 149 149 HIS CE1 C 13 134.212 0.300 . 1 . . . A 149 HIS CE1 . 18388 1 1668 . 1 1 149 149 HIS N N 15 118.204 0.300 . 1 . . . A 149 HIS N . 18388 1 1669 . 1 1 150 150 PHE H H 1 8.623 0.020 . 1 . . . A 150 PHE H . 18388 1 1670 . 1 1 150 150 PHE HA H 1 5.295 0.020 . 1 . . . A 150 PHE HA . 18388 1 1671 . 1 1 150 150 PHE HB2 H 1 3.059 0.020 . 2 . . . A 150 PHE HB2 . 18388 1 1672 . 1 1 150 150 PHE HB3 H 1 3.248 0.020 . 2 . . . A 150 PHE HB3 . 18388 1 1673 . 1 1 150 150 PHE HD1 H 1 7.090 0.020 . 3 . . . A 150 PHE HD1 . 18388 1 1674 . 1 1 150 150 PHE HD2 H 1 7.090 0.020 . 3 . . . A 150 PHE HD2 . 18388 1 1675 . 1 1 150 150 PHE C C 13 172.559 0.300 . 1 . . . A 150 PHE C . 18388 1 1676 . 1 1 150 150 PHE CA C 13 56.294 0.300 . 1 . . . A 150 PHE CA . 18388 1 1677 . 1 1 150 150 PHE CB C 13 39.053 0.300 . 1 . . . A 150 PHE CB . 18388 1 1678 . 1 1 150 150 PHE N N 15 116.683 0.300 . 1 . . . A 150 PHE N . 18388 1 1679 . 1 1 151 151 MET H H 1 9.610 0.020 . 1 . . . A 151 MET H . 18388 1 1680 . 1 1 151 151 MET HA H 1 4.459 0.020 . 1 . . . A 151 MET HA . 18388 1 1681 . 1 1 151 151 MET HB2 H 1 1.783 0.020 . 2 . . . A 151 MET HB2 . 18388 1 1682 . 1 1 151 151 MET HB3 H 1 2.315 0.020 . 2 . . . A 151 MET HB3 . 18388 1 1683 . 1 1 151 151 MET HG2 H 1 2.216 0.020 . 2 . . . A 151 MET HG2 . 18388 1 1684 . 1 1 151 151 MET HG3 H 1 2.152 0.020 . 2 . . . A 151 MET HG3 . 18388 1 1685 . 1 1 151 151 MET C C 13 170.023 0.300 . 1 . . . A 151 MET C . 18388 1 1686 . 1 1 151 151 MET CA C 13 51.942 0.300 . 1 . . . A 151 MET CA . 18388 1 1687 . 1 1 151 151 MET CB C 13 34.707 0.300 . 1 . . . A 151 MET CB . 18388 1 1688 . 1 1 151 151 MET CG C 13 27.716 0.300 . 1 . . . A 151 MET CG . 18388 1 1689 . 1 1 151 151 MET N N 15 119.683 0.300 . 1 . . . A 151 MET N . 18388 1 1690 . 1 1 152 152 TYR H H 1 6.114 0.020 . 1 . . . A 152 TYR H . 18388 1 1691 . 1 1 152 152 TYR HA H 1 3.877 0.020 . 1 . . . A 152 TYR HA . 18388 1 1692 . 1 1 152 152 TYR HB2 H 1 1.481 0.020 . 2 . . . A 152 TYR HB2 . 18388 1 1693 . 1 1 152 152 TYR HB3 H 1 2.789 0.020 . 2 . . . A 152 TYR HB3 . 18388 1 1694 . 1 1 152 152 TYR HD1 H 1 7.098 0.020 . 3 . . . A 152 TYR HD1 . 18388 1 1695 . 1 1 152 152 TYR HD2 H 1 7.098 0.020 . 3 . . . A 152 TYR HD2 . 18388 1 1696 . 1 1 152 152 TYR HE1 H 1 6.694 0.020 . 3 . . . A 152 TYR HE1 . 18388 1 1697 . 1 1 152 152 TYR HE2 H 1 6.694 0.020 . 3 . . . A 152 TYR HE2 . 18388 1 1698 . 1 1 152 152 TYR C C 13 171.384 0.300 . 1 . . . A 152 TYR C . 18388 1 1699 . 1 1 152 152 TYR CA C 13 55.106 0.300 . 1 . . . A 152 TYR CA . 18388 1 1700 . 1 1 152 152 TYR CB C 13 36.669 0.300 . 1 . . . A 152 TYR CB . 18388 1 1701 . 1 1 152 152 TYR CD2 C 13 128.859 0.300 . 3 . . . A 152 TYR CD2 . 18388 1 1702 . 1 1 152 152 TYR CE2 C 13 116.445 0.300 . 3 . . . A 152 TYR CE2 . 18388 1 1703 . 1 1 152 152 TYR N N 15 116.891 0.300 . 1 . . . A 152 TYR N . 18388 1 1704 . 1 1 153 153 ALA H H 1 9.909 0.020 . 1 . . . A 153 ALA H . 18388 1 1705 . 1 1 153 153 ALA HA H 1 3.950 0.020 . 1 . . . A 153 ALA HA . 18388 1 1706 . 1 1 153 153 ALA HB1 H 1 1.103 0.020 . . . . . A 153 ALA HB1 . 18388 1 1707 . 1 1 153 153 ALA HB2 H 1 1.103 0.020 . . . . . A 153 ALA HB2 . 18388 1 1708 . 1 1 153 153 ALA HB3 H 1 1.103 0.020 . . . . . A 153 ALA HB3 . 18388 1 1709 . 1 1 153 153 ALA C C 13 173.685 0.300 . 1 . . . A 153 ALA C . 18388 1 1710 . 1 1 153 153 ALA CA C 13 48.918 0.300 . 1 . . . A 153 ALA CA . 18388 1 1711 . 1 1 153 153 ALA CB C 13 19.782 0.300 . 1 . . . A 153 ALA CB . 18388 1 1712 . 1 1 153 153 ALA N N 15 121.133 0.300 . 1 . . . A 153 ALA N . 18388 1 1713 . 1 1 154 154 ASN H H 1 7.961 0.020 . 1 . . . A 154 ASN H . 18388 1 1714 . 1 1 154 154 ASN HA H 1 4.997 0.020 . 1 . . . A 154 ASN HA . 18388 1 1715 . 1 1 154 154 ASN HB2 H 1 3.176 0.020 . 2 . . . A 154 ASN HB2 . 18388 1 1716 . 1 1 154 154 ASN HB3 H 1 3.092 0.020 . 2 . . . A 154 ASN HB3 . 18388 1 1717 . 1 1 154 154 ASN HD21 H 1 7.967 0.020 . . . . . A 154 ASN HD21 . 18388 1 1718 . 1 1 154 154 ASN HD22 H 1 7.967 0.020 . . . . . A 154 ASN HD22 . 18388 1 1719 . 1 1 154 154 ASN C C 13 173.122 0.300 . 1 . . . A 154 ASN C . 18388 1 1720 . 1 1 154 154 ASN CA C 13 49.762 0.300 . 1 . . . A 154 ASN CA . 18388 1 1721 . 1 1 154 154 ASN CB C 13 36.515 0.300 . 1 . . . A 154 ASN CB . 18388 1 1722 . 1 1 154 154 ASN CG C 13 173.905 0.300 . 1 . . . A 154 ASN CG . 18388 1 1723 . 1 1 154 154 ASN N N 15 114.548 0.300 . 1 . . . A 154 ASN N . 18388 1 1724 . 1 1 154 154 ASN ND2 N 15 114.113 0.300 . 1 . . . A 154 ASN ND2 . 18388 1 1725 . 1 1 155 155 ASN H H 1 8.504 0.020 . 1 . . . A 155 ASN H . 18388 1 1726 . 1 1 155 155 ASN HA H 1 4.729 0.020 . 1 . . . A 155 ASN HA . 18388 1 1727 . 1 1 155 155 ASN HB2 H 1 2.660 0.020 . 2 . . . A 155 ASN HB2 . 18388 1 1728 . 1 1 155 155 ASN HB3 H 1 2.877 0.020 . 2 . . . A 155 ASN HB3 . 18388 1 1729 . 1 1 155 155 ASN HD21 H 1 7.403 0.020 . 2 . . . A 155 ASN HD21 . 18388 1 1730 . 1 1 155 155 ASN HD22 H 1 6.887 0.020 . 2 . . . A 155 ASN HD22 . 18388 1 1731 . 1 1 155 155 ASN C C 13 172.429 0.300 . 1 . . . A 155 ASN C . 18388 1 1732 . 1 1 155 155 ASN CA C 13 50.297 0.300 . 1 . . . A 155 ASN CA . 18388 1 1733 . 1 1 155 155 ASN CB C 13 35.044 0.300 . 1 . . . A 155 ASN CB . 18388 1 1734 . 1 1 155 155 ASN CG C 13 174.643 0.300 . 1 . . . A 155 ASN CG . 18388 1 1735 . 1 1 155 155 ASN N N 15 116.529 0.300 . 1 . . . A 155 ASN N . 18388 1 1736 . 1 1 155 155 ASN ND2 N 15 111.288 0.300 . 1 . . . A 155 ASN ND2 . 18388 1 1737 . 1 1 156 156 LYS H H 1 8.163 0.020 . 1 . . . A 156 LYS H . 18388 1 1738 . 1 1 156 156 LYS HA H 1 4.542 0.020 . 1 . . . A 156 LYS HA . 18388 1 1739 . 1 1 156 156 LYS HB2 H 1 2.080 0.020 . 2 . . . A 156 LYS HB2 . 18388 1 1740 . 1 1 156 156 LYS HB3 H 1 2.080 0.020 . 2 . . . A 156 LYS HB3 . 18388 1 1741 . 1 1 156 156 LYS HG2 H 1 1.442 0.020 . 2 . . . A 156 LYS HG2 . 18388 1 1742 . 1 1 156 156 LYS HG3 H 1 1.442 0.020 . 2 . . . A 156 LYS HG3 . 18388 1 1743 . 1 1 156 156 LYS HD2 H 1 1.694 0.020 . 2 . . . A 156 LYS HD2 . 18388 1 1744 . 1 1 156 156 LYS HD3 H 1 1.694 0.020 . 2 . . . A 156 LYS HD3 . 18388 1 1745 . 1 1 156 156 LYS HE2 H 1 3.042 0.020 . 2 . . . A 156 LYS HE2 . 18388 1 1746 . 1 1 156 156 LYS HE3 H 1 3.042 0.020 . 2 . . . A 156 LYS HE3 . 18388 1 1747 . 1 1 156 156 LYS C C 13 173.806 0.300 . 1 . . . A 156 LYS C . 18388 1 1748 . 1 1 156 156 LYS CA C 13 53.672 0.300 . 1 . . . A 156 LYS CA . 18388 1 1749 . 1 1 156 156 LYS CB C 13 30.240 0.300 . 1 . . . A 156 LYS CB . 18388 1 1750 . 1 1 156 156 LYS CG C 13 26.964 0.300 . 1 . . . A 156 LYS CG . 18388 1 1751 . 1 1 156 156 LYS CD C 13 25.903 0.300 . 1 . . . A 156 LYS CD . 18388 1 1752 . 1 1 156 156 LYS CE C 13 39.517 0.300 . 1 . . . A 156 LYS CE . 18388 1 1753 . 1 1 156 156 LYS N N 15 119.037 0.300 . 1 . . . A 156 LYS N . 18388 1 1754 . 1 1 157 157 SER H H 1 8.170 0.020 . 1 . . . A 157 SER H . 18388 1 1755 . 1 1 157 157 SER HA H 1 4.846 0.020 . 1 . . . A 157 SER HA . 18388 1 1756 . 1 1 157 157 SER HB2 H 1 3.638 0.020 . 2 . . . A 157 SER HB2 . 18388 1 1757 . 1 1 157 157 SER HB3 H 1 3.919 0.020 . 2 . . . A 157 SER HB3 . 18388 1 1758 . 1 1 157 157 SER C C 13 169.662 0.300 . 1 . . . A 157 SER C . 18388 1 1759 . 1 1 157 157 SER CA C 13 55.522 0.300 . 1 . . . A 157 SER CA . 18388 1 1760 . 1 1 157 157 SER CB C 13 62.860 0.300 . 1 . . . A 157 SER CB . 18388 1 1761 . 1 1 157 157 SER N N 15 115.687 0.300 . 1 . . . A 157 SER N . 18388 1 1762 . 1 1 158 158 GLY H H 1 6.737 0.020 . 1 . . . A 158 GLY H . 18388 1 1763 . 1 1 158 158 GLY HA2 H 1 3.540 0.020 . 2 . . . A 158 GLY HA2 . 18388 1 1764 . 1 1 158 158 GLY HA3 H 1 3.923 0.020 . 2 . . . A 158 GLY HA3 . 18388 1 1765 . 1 1 158 158 GLY C C 13 168.077 0.300 . 1 . . . A 158 GLY C . 18388 1 1766 . 1 1 158 158 GLY CA C 13 43.379 0.300 . 1 . . . A 158 GLY CA . 18388 1 1767 . 1 1 158 158 GLY N N 15 108.011 0.300 . 1 . . . A 158 GLY N . 18388 1 1768 . 1 1 159 159 LYS H H 1 7.692 0.020 . 1 . . . A 159 LYS H . 18388 1 1769 . 1 1 159 159 LYS HA H 1 5.322 0.020 . 1 . . . A 159 LYS HA . 18388 1 1770 . 1 1 159 159 LYS HB2 H 1 1.285 0.020 . 2 . . . A 159 LYS HB2 . 18388 1 1771 . 1 1 159 159 LYS HB3 H 1 1.394 0.020 . 2 . . . A 159 LYS HB3 . 18388 1 1772 . 1 1 159 159 LYS HG2 H 1 0.967 0.020 . 2 . . . A 159 LYS HG2 . 18388 1 1773 . 1 1 159 159 LYS HG3 H 1 1.116 0.020 . 2 . . . A 159 LYS HG3 . 18388 1 1774 . 1 1 159 159 LYS HD2 H 1 1.244 0.020 . 2 . . . A 159 LYS HD2 . 18388 1 1775 . 1 1 159 159 LYS HD3 H 1 1.330 0.020 . 2 . . . A 159 LYS HD3 . 18388 1 1776 . 1 1 159 159 LYS HE2 H 1 2.651 0.020 . 2 . . . A 159 LYS HE2 . 18388 1 1777 . 1 1 159 159 LYS HE3 H 1 2.651 0.020 . 2 . . . A 159 LYS HE3 . 18388 1 1778 . 1 1 159 159 LYS C C 13 172.738 0.300 . 1 . . . A 159 LYS C . 18388 1 1779 . 1 1 159 159 LYS CA C 13 52.823 0.300 . 1 . . . A 159 LYS CA . 18388 1 1780 . 1 1 159 159 LYS CB C 13 34.410 0.300 . 1 . . . A 159 LYS CB . 18388 1 1781 . 1 1 159 159 LYS CG C 13 21.804 0.300 . 1 . . . A 159 LYS CG . 18388 1 1782 . 1 1 159 159 LYS CD C 13 26.786 0.300 . 1 . . . A 159 LYS CD . 18388 1 1783 . 1 1 159 159 LYS CE C 13 38.558 0.300 . 1 . . . A 159 LYS CE . 18388 1 1784 . 1 1 159 159 LYS N N 15 116.527 0.300 . 1 . . . A 159 LYS N . 18388 1 1785 . 1 1 160 160 PHE H H 1 8.645 0.020 . 1 . . . A 160 PHE H . 18388 1 1786 . 1 1 160 160 PHE HA H 1 5.307 0.020 . 1 . . . A 160 PHE HA . 18388 1 1787 . 1 1 160 160 PHE HB2 H 1 2.880 0.020 . 2 . . . A 160 PHE HB2 . 18388 1 1788 . 1 1 160 160 PHE HB3 H 1 2.880 0.020 . 2 . . . A 160 PHE HB3 . 18388 1 1789 . 1 1 160 160 PHE HD1 H 1 6.895 0.020 . 3 . . . A 160 PHE HD1 . 18388 1 1790 . 1 1 160 160 PHE HD2 H 1 6.895 0.020 . 3 . . . A 160 PHE HD2 . 18388 1 1791 . 1 1 160 160 PHE HE1 H 1 6.650 0.020 . 3 . . . A 160 PHE HE1 . 18388 1 1792 . 1 1 160 160 PHE HE2 H 1 6.650 0.020 . 3 . . . A 160 PHE HE2 . 18388 1 1793 . 1 1 160 160 PHE C C 13 167.848 0.300 . 1 . . . A 160 PHE C . 18388 1 1794 . 1 1 160 160 PHE CA C 13 53.005 0.300 . 1 . . . A 160 PHE CA . 18388 1 1795 . 1 1 160 160 PHE CB C 13 38.936 0.300 . 1 . . . A 160 PHE CB . 18388 1 1796 . 1 1 160 160 PHE N N 15 121.737 0.300 . 1 . . . A 160 PHE N . 18388 1 1797 . 1 1 161 161 VAL H H 1 9.139 0.020 . 1 . . . A 161 VAL H . 18388 1 1798 . 1 1 161 161 VAL HA H 1 5.163 0.020 . 1 . . . A 161 VAL HA . 18388 1 1799 . 1 1 161 161 VAL HB H 1 1.419 0.020 . 1 . . . A 161 VAL HB . 18388 1 1800 . 1 1 161 161 VAL HG11 H 1 0.641 0.020 . . . . . A 161 VAL HG11 . 18388 1 1801 . 1 1 161 161 VAL HG12 H 1 0.641 0.020 . . . . . A 161 VAL HG12 . 18388 1 1802 . 1 1 161 161 VAL HG13 H 1 0.641 0.020 . . . . . A 161 VAL HG13 . 18388 1 1803 . 1 1 161 161 VAL C C 13 170.425 0.300 . 1 . . . A 161 VAL C . 18388 1 1804 . 1 1 161 161 VAL CA C 13 56.417 0.300 . 1 . . . A 161 VAL CA . 18388 1 1805 . 1 1 161 161 VAL CB C 13 31.741 0.300 . 1 . . . A 161 VAL CB . 18388 1 1806 . 1 1 161 161 VAL CG1 C 13 18.859 0.300 . 2 . . . A 161 VAL CG1 . 18388 1 1807 . 1 1 161 161 VAL CG2 C 13 18.605 0.300 . 2 . . . A 161 VAL CG2 . 18388 1 1808 . 1 1 161 161 VAL N N 15 119.613 0.300 . 1 . . . A 161 VAL N . 18388 1 1809 . 1 1 162 162 VAL H H 1 8.260 0.020 . 1 . . . A 162 VAL H . 18388 1 1810 . 1 1 162 162 VAL HA H 1 5.772 0.020 . 1 . . . A 162 VAL HA . 18388 1 1811 . 1 1 162 162 VAL HB H 1 1.614 0.020 . 1 . . . A 162 VAL HB . 18388 1 1812 . 1 1 162 162 VAL HG11 H 1 0.551 0.020 . . . . . A 162 VAL HG11 . 18388 1 1813 . 1 1 162 162 VAL HG12 H 1 0.551 0.020 . . . . . A 162 VAL HG12 . 18388 1 1814 . 1 1 162 162 VAL HG13 H 1 0.551 0.020 . . . . . A 162 VAL HG13 . 18388 1 1815 . 1 1 162 162 VAL HG21 H 1 0.637 0.020 . . . . . A 162 VAL HG21 . 18388 1 1816 . 1 1 162 162 VAL HG22 H 1 0.637 0.020 . . . . . A 162 VAL HG22 . 18388 1 1817 . 1 1 162 162 VAL HG23 H 1 0.637 0.020 . . . . . A 162 VAL HG23 . 18388 1 1818 . 1 1 162 162 VAL C C 13 170.672 0.300 . 1 . . . A 162 VAL C . 18388 1 1819 . 1 1 162 162 VAL CA C 13 55.473 0.300 . 1 . . . A 162 VAL CA . 18388 1 1820 . 1 1 162 162 VAL CB C 13 33.586 0.300 . 1 . . . A 162 VAL CB . 18388 1 1821 . 1 1 162 162 VAL CG1 C 13 18.935 0.300 . 2 . . . A 162 VAL CG1 . 18388 1 1822 . 1 1 162 162 VAL CG2 C 13 17.911 0.300 . 2 . . . A 162 VAL CG2 . 18388 1 1823 . 1 1 162 162 VAL N N 15 121.100 0.300 . 1 . . . A 162 VAL N . 18388 1 1824 . 1 1 163 163 ASP H H 1 9.062 0.020 . 1 . . . A 163 ASP H . 18388 1 1825 . 1 1 163 163 ASP HA H 1 5.400 0.020 . 1 . . . A 163 ASP HA . 18388 1 1826 . 1 1 163 163 ASP HB2 H 1 2.483 0.020 . 2 . . . A 163 ASP HB2 . 18388 1 1827 . 1 1 163 163 ASP HB3 H 1 2.409 0.020 . 2 . . . A 163 ASP HB3 . 18388 1 1828 . 1 1 163 163 ASP C C 13 172.263 0.300 . 1 . . . A 163 ASP C . 18388 1 1829 . 1 1 163 163 ASP CA C 13 49.125 0.300 . 1 . . . A 163 ASP CA . 18388 1 1830 . 1 1 163 163 ASP CB C 13 42.234 0.300 . 1 . . . A 163 ASP CB . 18388 1 1831 . 1 1 163 163 ASP N N 15 119.011 0.300 . 1 . . . A 163 ASP N . 18388 1 1832 . 1 1 164 164 ASN H H 1 9.715 0.020 . 1 . . . A 164 ASN H . 18388 1 1833 . 1 1 164 164 ASN HA H 1 4.477 0.020 . 1 . . . A 164 ASN HA . 18388 1 1834 . 1 1 164 164 ASN HB2 H 1 2.459 0.020 . 2 . . . A 164 ASN HB2 . 18388 1 1835 . 1 1 164 164 ASN HB3 H 1 3.010 0.020 . 2 . . . A 164 ASN HB3 . 18388 1 1836 . 1 1 164 164 ASN HD21 H 1 8.422 0.020 . 2 . . . A 164 ASN HD21 . 18388 1 1837 . 1 1 164 164 ASN HD22 H 1 6.381 0.020 . 2 . . . A 164 ASN HD22 . 18388 1 1838 . 1 1 164 164 ASN C C 13 170.700 0.300 . 1 . . . A 164 ASN C . 18388 1 1839 . 1 1 164 164 ASN CA C 13 52.415 0.300 . 1 . . . A 164 ASN CA . 18388 1 1840 . 1 1 164 164 ASN CB C 13 35.103 0.300 . 1 . . . A 164 ASN CB . 18388 1 1841 . 1 1 164 164 ASN CG C 13 176.165 0.300 . 1 . . . A 164 ASN CG . 18388 1 1842 . 1 1 164 164 ASN N N 15 117.226 0.300 . 1 . . . A 164 ASN N . 18388 1 1843 . 1 1 164 164 ASN ND2 N 15 114.915 0.300 . 1 . . . A 164 ASN ND2 . 18388 1 1844 . 1 1 165 165 ILE H H 1 8.526 0.020 . 1 . . . A 165 ILE H . 18388 1 1845 . 1 1 165 165 ILE HA H 1 5.254 0.020 . 1 . . . A 165 ILE HA . 18388 1 1846 . 1 1 165 165 ILE HB H 1 2.109 0.020 . 1 . . . A 165 ILE HB . 18388 1 1847 . 1 1 165 165 ILE HG12 H 1 2.224 0.020 . . . . . A 165 ILE HG12 . 18388 1 1848 . 1 1 165 165 ILE HG13 H 1 2.224 0.020 . . . . . A 165 ILE HG13 . 18388 1 1849 . 1 1 165 165 ILE HG21 H 1 1.244 0.020 . . . . . A 165 ILE HG21 . 18388 1 1850 . 1 1 165 165 ILE HG22 H 1 1.244 0.020 . . . . . A 165 ILE HG22 . 18388 1 1851 . 1 1 165 165 ILE HG23 H 1 1.244 0.020 . . . . . A 165 ILE HG23 . 18388 1 1852 . 1 1 165 165 ILE HD11 H 1 1.535 0.020 . . . . . A 165 ILE HD11 . 18388 1 1853 . 1 1 165 165 ILE HD12 H 1 1.535 0.020 . . . . . A 165 ILE HD12 . 18388 1 1854 . 1 1 165 165 ILE HD13 H 1 1.535 0.020 . . . . . A 165 ILE HD13 . 18388 1 1855 . 1 1 165 165 ILE C C 13 173.072 0.300 . 1 . . . A 165 ILE C . 18388 1 1856 . 1 1 165 165 ILE CA C 13 58.897 0.300 . 1 . . . A 165 ILE CA . 18388 1 1857 . 1 1 165 165 ILE CB C 13 34.943 0.300 . 1 . . . A 165 ILE CB . 18388 1 1858 . 1 1 165 165 ILE CG1 C 13 25.398 0.300 . 1 . . . A 165 ILE CG1 . 18388 1 1859 . 1 1 165 165 ILE CG2 C 13 15.313 0.300 . 1 . . . A 165 ILE CG2 . 18388 1 1860 . 1 1 165 165 ILE CD1 C 13 13.986 0.300 . 1 . . . A 165 ILE CD1 . 18388 1 1861 . 1 1 165 165 ILE N N 15 118.386 0.300 . 1 . . . A 165 ILE N . 18388 1 1862 . 1 1 166 166 LYS H H 1 9.791 0.020 . 1 . . . A 166 LYS H . 18388 1 1863 . 1 1 166 166 LYS HA H 1 4.978 0.020 . 1 . . . A 166 LYS HA . 18388 1 1864 . 1 1 166 166 LYS HB2 H 1 1.360 0.020 . 2 . . . A 166 LYS HB2 . 18388 1 1865 . 1 1 166 166 LYS HB3 H 1 1.944 0.020 . 2 . . . A 166 LYS HB3 . 18388 1 1866 . 1 1 166 166 LYS HG2 H 1 0.840 0.020 . 2 . . . A 166 LYS HG2 . 18388 1 1867 . 1 1 166 166 LYS HG3 H 1 0.840 0.020 . 2 . . . A 166 LYS HG3 . 18388 1 1868 . 1 1 166 166 LYS HD2 H 1 1.281 0.020 . 2 . . . A 166 LYS HD2 . 18388 1 1869 . 1 1 166 166 LYS HD3 H 1 1.281 0.020 . 2 . . . A 166 LYS HD3 . 18388 1 1870 . 1 1 166 166 LYS HE2 H 1 2.822 0.020 . 2 . . . A 166 LYS HE2 . 18388 1 1871 . 1 1 166 166 LYS HE3 H 1 2.822 0.020 . 2 . . . A 166 LYS HE3 . 18388 1 1872 . 1 1 166 166 LYS C C 13 170.066 0.300 . 1 . . . A 166 LYS C . 18388 1 1873 . 1 1 166 166 LYS CA C 13 52.194 0.300 . 1 . . . A 166 LYS CA . 18388 1 1874 . 1 1 166 166 LYS CB C 13 34.833 0.300 . 1 . . . A 166 LYS CB . 18388 1 1875 . 1 1 166 166 LYS CG C 13 20.601 0.300 . 1 . . . A 166 LYS CG . 18388 1 1876 . 1 1 166 166 LYS CD C 13 27.363 0.300 . 1 . . . A 166 LYS CD . 18388 1 1877 . 1 1 166 166 LYS CE C 13 39.236 0.300 . 1 . . . A 166 LYS CE . 18388 1 1878 . 1 1 166 166 LYS N N 15 127.554 0.300 . 1 . . . A 166 LYS N . 18388 1 1879 . 1 1 167 167 LEU H H 1 8.376 0.020 . 1 . . . A 167 LEU H . 18388 1 1880 . 1 1 167 167 LEU HA H 1 4.620 0.020 . 1 . . . A 167 LEU HA . 18388 1 1881 . 1 1 167 167 LEU HB2 H 1 0.362 0.020 . 2 . . . A 167 LEU HB2 . 18388 1 1882 . 1 1 167 167 LEU HB3 H 1 0.193 0.020 . 2 . . . A 167 LEU HB3 . 18388 1 1883 . 1 1 167 167 LEU HG H 1 0.672 0.020 . 1 . . . A 167 LEU HG . 18388 1 1884 . 1 1 167 167 LEU HD11 H 1 -0.707 0.020 . . . . . A 167 LEU HD11 . 18388 1 1885 . 1 1 167 167 LEU HD12 H 1 -0.707 0.020 . . . . . A 167 LEU HD12 . 18388 1 1886 . 1 1 167 167 LEU HD13 H 1 -0.707 0.020 . . . . . A 167 LEU HD13 . 18388 1 1887 . 1 1 167 167 LEU HD21 H 1 -0.356 0.020 . . . . . A 167 LEU HD21 . 18388 1 1888 . 1 1 167 167 LEU HD22 H 1 -0.356 0.020 . . . . . A 167 LEU HD22 . 18388 1 1889 . 1 1 167 167 LEU HD23 H 1 -0.356 0.020 . . . . . A 167 LEU HD23 . 18388 1 1890 . 1 1 167 167 LEU C C 13 173.552 0.300 . 1 . . . A 167 LEU C . 18388 1 1891 . 1 1 167 167 LEU CA C 13 50.392 0.300 . 1 . . . A 167 LEU CA . 18388 1 1892 . 1 1 167 167 LEU CB C 13 40.368 0.300 . 1 . . . A 167 LEU CB . 18388 1 1893 . 1 1 167 167 LEU CG C 13 22.646 0.300 . 1 . . . A 167 LEU CG . 18388 1 1894 . 1 1 167 167 LEU CD1 C 13 20.410 0.300 . 2 . . . A 167 LEU CD1 . 18388 1 1895 . 1 1 167 167 LEU CD2 C 13 19.152 0.300 . 2 . . . A 167 LEU CD2 . 18388 1 1896 . 1 1 167 167 LEU N N 15 120.406 0.300 . 1 . . . A 167 LEU N . 18388 1 1897 . 1 1 168 168 ILE H H 1 8.332 0.020 . 1 . . . A 168 ILE H . 18388 1 1898 . 1 1 168 168 ILE HA H 1 4.806 0.020 . 1 . . . A 168 ILE HA . 18388 1 1899 . 1 1 168 168 ILE HB H 1 1.627 0.020 . 1 . . . A 168 ILE HB . 18388 1 1900 . 1 1 168 168 ILE HG12 H 1 0.841 0.020 . . . . . A 168 ILE HG12 . 18388 1 1901 . 1 1 168 168 ILE HG13 H 1 0.841 0.020 . . . . . A 168 ILE HG13 . 18388 1 1902 . 1 1 168 168 ILE HG21 H 1 0.897 0.020 . . . . . A 168 ILE HG21 . 18388 1 1903 . 1 1 168 168 ILE HG22 H 1 0.897 0.020 . . . . . A 168 ILE HG22 . 18388 1 1904 . 1 1 168 168 ILE HG23 H 1 0.897 0.020 . . . . . A 168 ILE HG23 . 18388 1 1905 . 1 1 168 168 ILE HD11 H 1 0.662 0.020 . . . . . A 168 ILE HD11 . 18388 1 1906 . 1 1 168 168 ILE HD12 H 1 0.662 0.020 . . . . . A 168 ILE HD12 . 18388 1 1907 . 1 1 168 168 ILE HD13 H 1 0.662 0.020 . . . . . A 168 ILE HD13 . 18388 1 1908 . 1 1 168 168 ILE C C 13 173.581 0.300 . 1 . . . A 168 ILE C . 18388 1 1909 . 1 1 168 168 ILE CA C 13 57.129 0.300 . 1 . . . A 168 ILE CA . 18388 1 1910 . 1 1 168 168 ILE CB C 13 38.594 0.300 . 1 . . . A 168 ILE CB . 18388 1 1911 . 1 1 168 168 ILE CG1 C 13 24.147 0.300 . 1 . . . A 168 ILE CG1 . 18388 1 1912 . 1 1 168 168 ILE CG2 C 13 15.308 0.300 . 1 . . . A 168 ILE CG2 . 18388 1 1913 . 1 1 168 168 ILE CD1 C 13 10.340 0.300 . 1 . . . A 168 ILE CD1 . 18388 1 1914 . 1 1 168 168 ILE N N 15 116.200 0.300 . 1 . . . A 168 ILE N . 18388 1 1915 . 1 1 169 169 GLY H H 1 8.731 0.020 . 1 . . . A 169 GLY H . 18388 1 1916 . 1 1 169 169 GLY HA2 H 1 3.929 0.020 . 2 . . . A 169 GLY HA2 . 18388 1 1917 . 1 1 169 169 GLY HA3 H 1 4.131 0.020 . 2 . . . A 169 GLY HA3 . 18388 1 1918 . 1 1 169 169 GLY C C 13 169.165 0.300 . 1 . . . A 169 GLY C . 18388 1 1919 . 1 1 169 169 GLY CA C 13 42.752 0.300 . 1 . . . A 169 GLY CA . 18388 1 1920 . 1 1 169 169 GLY N N 15 113.856 0.300 . 1 . . . A 169 GLY N . 18388 1 1921 . 1 1 170 170 ALA H H 1 8.240 0.020 . 1 . . . A 170 ALA H . 18388 1 1922 . 1 1 170 170 ALA HA H 1 4.104 0.020 . 1 . . . A 170 ALA HA . 18388 1 1923 . 1 1 170 170 ALA HB1 H 1 1.079 0.020 . . . . . A 170 ALA HB1 . 18388 1 1924 . 1 1 170 170 ALA HB2 H 1 1.079 0.020 . . . . . A 170 ALA HB2 . 18388 1 1925 . 1 1 170 170 ALA HB3 H 1 1.079 0.020 . . . . . A 170 ALA HB3 . 18388 1 1926 . 1 1 170 170 ALA C C 13 175.017 0.300 . 1 . . . A 170 ALA C . 18388 1 1927 . 1 1 170 170 ALA CA C 13 49.114 0.300 . 1 . . . A 170 ALA CA . 18388 1 1928 . 1 1 170 170 ALA CB C 13 16.804 0.300 . 1 . . . A 170 ALA CB . 18388 1 1929 . 1 1 170 170 ALA N N 15 123.523 0.300 . 1 . . . A 170 ALA N . 18388 1 1930 . 1 1 171 171 LEU H H 1 8.044 0.020 . 1 . . . A 171 LEU H . 18388 1 1931 . 1 1 171 171 LEU HA H 1 4.182 0.020 . 1 . . . A 171 LEU HA . 18388 1 1932 . 1 1 171 171 LEU HB2 H 1 1.403 0.020 . 2 . . . A 171 LEU HB2 . 18388 1 1933 . 1 1 171 171 LEU HB3 H 1 1.403 0.020 . 2 . . . A 171 LEU HB3 . 18388 1 1934 . 1 1 171 171 LEU HG H 1 1.451 0.020 . 1 . . . A 171 LEU HG . 18388 1 1935 . 1 1 171 171 LEU HD11 H 1 0.830 0.020 . . . . . A 171 LEU HD11 . 18388 1 1936 . 1 1 171 171 LEU HD12 H 1 0.830 0.020 . . . . . A 171 LEU HD12 . 18388 1 1937 . 1 1 171 171 LEU HD13 H 1 0.830 0.020 . . . . . A 171 LEU HD13 . 18388 1 1938 . 1 1 171 171 LEU HD21 H 1 0.785 0.020 . . . . . A 171 LEU HD21 . 18388 1 1939 . 1 1 171 171 LEU HD22 H 1 0.785 0.020 . . . . . A 171 LEU HD22 . 18388 1 1940 . 1 1 171 171 LEU HD23 H 1 0.785 0.020 . . . . . A 171 LEU HD23 . 18388 1 1941 . 1 1 171 171 LEU C C 13 174.354 0.300 . 1 . . . A 171 LEU C . 18388 1 1942 . 1 1 171 171 LEU CA C 13 52.417 0.300 . 1 . . . A 171 LEU CA . 18388 1 1943 . 1 1 171 171 LEU CB C 13 39.826 0.300 . 1 . . . A 171 LEU CB . 18388 1 1944 . 1 1 171 171 LEU CG C 13 24.157 0.300 . 1 . . . A 171 LEU CG . 18388 1 1945 . 1 1 171 171 LEU CD1 C 13 21.797 0.300 . 2 . . . A 171 LEU CD1 . 18388 1 1946 . 1 1 171 171 LEU CD2 C 13 21.193 0.300 . 2 . . . A 171 LEU CD2 . 18388 1 1947 . 1 1 171 171 LEU N N 15 122.226 0.300 . 1 . . . A 171 LEU N . 18388 1 1948 . 1 1 172 172 GLU H H 1 8.246 0.020 . 1 . . . A 172 GLU H . 18388 1 1949 . 1 1 172 172 GLU HA H 1 4.166 0.020 . 1 . . . A 172 GLU HA . 18388 1 1950 . 1 1 172 172 GLU HB2 H 1 1.773 0.020 . 2 . . . A 172 GLU HB2 . 18388 1 1951 . 1 1 172 172 GLU HB3 H 1 1.828 0.020 . 2 . . . A 172 GLU HB3 . 18388 1 1952 . 1 1 172 172 GLU HG2 H 1 2.039 0.020 . 2 . . . A 172 GLU HG2 . 18388 1 1953 . 1 1 172 172 GLU HG3 H 1 2.118 0.020 . 2 . . . A 172 GLU HG3 . 18388 1 1954 . 1 1 172 172 GLU C C 13 172.975 0.300 . 1 . . . A 172 GLU C . 18388 1 1955 . 1 1 172 172 GLU CA C 13 53.463 0.300 . 1 . . . A 172 GLU CA . 18388 1 1956 . 1 1 172 172 GLU CB C 13 27.888 0.300 . 1 . . . A 172 GLU CB . 18388 1 1957 . 1 1 172 172 GLU CG C 13 33.339 0.300 . 1 . . . A 172 GLU CG . 18388 1 1958 . 1 1 172 172 GLU N N 15 121.958 0.300 . 1 . . . A 172 GLU N . 18388 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18388 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 18388 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.705 0.053 . . . . . . . . . . 18388 1 2 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.383 0.010 . . . . . . . . . . 18388 1 3 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.713 0.010 . . . . . . . . . . 18388 1 4 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.674 0.029 . . . . . . . . . . 18388 1 5 . 1 1 9 9 MET N N 15 . 1 1 9 9 MET H H 1 0.801 0.012 . . . . . . . . . . 18388 1 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.838 0.019 . . . . . . . . . . 18388 1 7 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.858 0.013 . . . . . . . . . . 18388 1 8 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.806 0.011 . . . . . . . . . . 18388 1 9 . 1 1 13 13 PHE N N 15 . 1 1 13 13 PHE H H 1 0.883 0.012 . . . . . . . . . . 18388 1 10 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.854 0.010 . . . . . . . . . . 18388 1 11 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.784 0.008 . . . . . . . . . . 18388 1 12 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.674 0.007 . . . . . . . . . . 18388 1 13 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.605 0.007 . . . . . . . . . . 18388 1 14 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.653 0.011 . . . . . . . . . . 18388 1 15 . 1 1 19 19 TRP N N 15 . 1 1 19 19 TRP H H 1 0.717 0.012 . . . . . . . . . . 18388 1 16 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.834 0.012 . . . . . . . . . . 18388 1 17 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.758 0.009 . . . . . . . . . . 18388 1 18 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.841 0.011 . . . . . . . . . . 18388 1 19 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.865 0.009 . . . . . . . . . . 18388 1 20 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.883 0.012 . . . . . . . . . . 18388 1 21 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.868 0.013 . . . . . . . . . . 18388 1 22 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.866 0.010 . . . . . . . . . . 18388 1 23 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.830 0.008 . . . . . . . . . . 18388 1 24 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.807 0.012 . . . . . . . . . . 18388 1 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.811 0.011 . . . . . . . . . . 18388 1 26 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.809 0.010 . . . . . . . . . . 18388 1 27 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.820 0.007 . . . . . . . . . . 18388 1 28 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.762 0.009 . . . . . . . . . . 18388 1 29 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.805 0.010 . . . . . . . . . . 18388 1 30 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.798 0.008 . . . . . . . . . . 18388 1 31 . 1 1 35 35 SER N N 15 . 1 1 35 35 SER H H 1 0.882 0.009 . . . . . . . . . . 18388 1 32 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.845 0.012 . . . . . . . . . . 18388 1 33 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.811 0.017 . . . . . . . . . . 18388 1 34 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.804 0.012 . . . . . . . . . . 18388 1 35 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.837 0.012 . . . . . . . . . . 18388 1 36 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.852 0.010 . . . . . . . . . . 18388 1 37 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.867 0.012 . . . . . . . . . . 18388 1 38 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.805 0.009 . . . . . . . . . . 18388 1 39 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.837 0.013 . . . . . . . . . . 18388 1 40 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.844 0.008 . . . . . . . . . . 18388 1 41 . 1 1 46 46 TYR N N 15 . 1 1 46 46 TYR H H 1 0.826 0.010 . . . . . . . . . . 18388 1 42 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.795 0.015 . . . . . . . . . . 18388 1 43 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.777 0.013 . . . . . . . . . . 18388 1 44 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.833 0.011 . . . . . . . . . . 18388 1 45 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.825 0.017 . . . . . . . . . . 18388 1 46 . 1 1 51 51 ASP N N 15 . 1 1 51 51 ASP H H 1 0.788 0.010 . . . . . . . . . . 18388 1 47 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.813 0.010 . . . . . . . . . . 18388 1 48 . 1 1 53 53 TYR N N 15 . 1 1 53 53 TYR H H 1 0.853 0.011 . . . . . . . . . . 18388 1 49 . 1 1 54 54 TRP N N 15 . 1 1 54 54 TRP H H 1 0.825 0.011 . . . . . . . . . . 18388 1 50 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.829 0.012 . . . . . . . . . . 18388 1 51 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.885 0.013 . . . . . . . . . . 18388 1 52 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.832 0.014 . . . . . . . . . . 18388 1 53 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.883 0.020 . . . . . . . . . . 18388 1 54 . 1 1 59 59 SER N N 15 . 1 1 59 59 SER H H 1 0.834 0.014 . . . . . . . . . . 18388 1 55 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.777 0.014 . . . . . . . . . . 18388 1 56 . 1 1 62 62 ASP N N 15 . 1 1 62 62 ASP H H 1 0.754 0.009 . . . . . . . . . . 18388 1 57 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.760 0.007 . . . . . . . . . . 18388 1 58 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.812 0.008 . . . . . . . . . . 18388 1 59 . 1 1 65 65 TRP N N 15 . 1 1 65 65 TRP H H 1 0.816 0.022 . . . . . . . . . . 18388 1 60 . 1 1 66 66 SER N N 15 . 1 1 66 66 SER H H 1 0.881 0.017 . . . . . . . . . . 18388 1 61 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.841 0.030 . . . . . . . . . . 18388 1 62 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.843 0.015 . . . . . . . . . . 18388 1 63 . 1 1 72 72 SER N N 15 . 1 1 72 72 SER H H 1 0.867 0.010 . . . . . . . . . . 18388 1 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.872 0.008 . . . . . . . . . . 18388 1 65 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 0.816 0.009 . . . . . . . . . . 18388 1 66 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.861 0.010 . . . . . . . . . . 18388 1 67 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.817 0.009 . . . . . . . . . . 18388 1 68 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 0.806 0.010 . . . . . . . . . . 18388 1 69 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.847 0.018 . . . . . . . . . . 18388 1 70 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.715 0.009 . . . . . . . . . . 18388 1 71 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.700 0.011 . . . . . . . . . . 18388 1 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.771 0.009 . . . . . . . . . . 18388 1 73 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 0.673 0.012 . . . . . . . . . . 18388 1 74 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.537 0.011 . . . . . . . . . . 18388 1 75 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.853 0.014 . . . . . . . . . . 18388 1 76 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.889 0.017 . . . . . . . . . . 18388 1 77 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG H H 1 0.807 0.013 . . . . . . . . . . 18388 1 78 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.804 0.012 . . . . . . . . . . 18388 1 79 . 1 1 88 88 MET N N 15 . 1 1 88 88 MET H H 1 0.885 0.015 . . . . . . . . . . 18388 1 80 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.869 0.018 . . . . . . . . . . 18388 1 81 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.804 0.014 . . . . . . . . . . 18388 1 82 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.834 0.018 . . . . . . . . . . 18388 1 83 . 1 1 92 92 LYS N N 15 . 1 1 92 92 LYS H H 1 0.849 0.016 . . . . . . . . . . 18388 1 84 . 1 1 93 93 SER N N 15 . 1 1 93 93 SER H H 1 0.822 0.016 . . . . . . . . . . 18388 1 85 . 1 1 94 94 ILE N N 15 . 1 1 94 94 ILE H H 1 0.851 0.018 . . . . . . . . . . 18388 1 86 . 1 1 95 95 ASN N N 15 . 1 1 95 95 ASN H H 1 0.736 0.009 . . . . . . . . . . 18388 1 87 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.590 0.009 . . . . . . . . . . 18388 1 88 . 1 1 97 97 VAL N N 15 . 1 1 97 97 VAL H H 1 0.570 0.008 . . . . . . . . . . 18388 1 89 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.584 0.010 . . . . . . . . . . 18388 1 90 . 1 1 99 99 ASP N N 15 . 1 1 99 99 ASP H H 1 0.634 0.010 . . . . . . . . . . 18388 1 91 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.815 0.017 . . . . . . . . . . 18388 1 92 . 1 1 103 103 TRP N N 15 . 1 1 103 103 TRP H H 1 0.798 0.016 . . . . . . . . . . 18388 1 93 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.890 0.021 . . . . . . . . . . 18388 1 94 . 1 1 105 105 TYR N N 15 . 1 1 105 105 TYR H H 1 0.864 0.011 . . . . . . . . . . 18388 1 95 . 1 1 106 106 SER N N 15 . 1 1 106 106 SER H H 1 0.767 0.013 . . . . . . . . . . 18388 1 96 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.841 0.015 . . . . . . . . . . 18388 1 97 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.831 0.013 . . . . . . . . . . 18388 1 98 . 1 1 110 110 ASP N N 15 . 1 1 110 110 ASP H H 1 0.827 0.011 . . . . . . . . . . 18388 1 99 . 1 1 111 111 SER N N 15 . 1 1 111 111 SER H H 1 0.782 0.011 . . . . . . . . . . 18388 1 100 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.765 0.006 . . . . . . . . . . 18388 1 101 . 1 1 113 113 TRP N N 15 . 1 1 113 113 TRP H H 1 0.856 0.009 . . . . . . . . . . 18388 1 102 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.775 0.014 . . . . . . . . . . 18388 1 103 . 1 1 115 115 THR N N 15 . 1 1 115 115 THR H H 1 0.809 0.010 . . . . . . . . . . 18388 1 104 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.839 0.010 . . . . . . . . . . 18388 1 105 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.784 0.011 . . . . . . . . . . 18388 1 106 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.793 0.011 . . . . . . . . . . 18388 1 107 . 1 1 120 120 PHE N N 15 . 1 1 120 120 PHE H H 1 0.833 0.026 . . . . . . . . . . 18388 1 108 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.856 0.010 . . . . . . . . . . 18388 1 109 . 1 1 122 122 SER N N 15 . 1 1 122 122 SER H H 1 0.879 0.013 . . . . . . . . . . 18388 1 110 . 1 1 123 123 PHE N N 15 . 1 1 123 123 PHE H H 1 0.839 0.016 . . . . . . . . . . 18388 1 111 . 1 1 124 124 ARG N N 15 . 1 1 124 124 ARG H H 1 0.850 0.017 . . . . . . . . . . 18388 1 112 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.808 0.014 . . . . . . . . . . 18388 1 113 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.845 0.025 . . . . . . . . . . 18388 1 114 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.837 0.023 . . . . . . . . . . 18388 1 115 . 1 1 128 128 ASP N N 15 . 1 1 128 128 ASP H H 1 0.836 0.013 . . . . . . . . . . 18388 1 116 . 1 1 129 129 TYR N N 15 . 1 1 129 129 TYR H H 1 0.857 0.014 . . . . . . . . . . 18388 1 117 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.890 0.017 . . . . . . . . . . 18388 1 118 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.877 0.017 . . . . . . . . . . 18388 1 119 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 0.908 0.018 . . . . . . . . . . 18388 1 120 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.903 0.024 . . . . . . . . . . 18388 1 121 . 1 1 136 136 MET N N 15 . 1 1 136 136 MET H H 1 0.810 0.030 . . . . . . . . . . 18388 1 122 . 1 1 137 137 SER N N 15 . 1 1 137 137 SER H H 1 0.873 0.014 . . . . . . . . . . 18388 1 123 . 1 1 138 138 GLY N N 15 . 1 1 138 138 GLY H H 1 0.888 0.018 . . . . . . . . . . 18388 1 124 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.824 0.017 . . . . . . . . . . 18388 1 125 . 1 1 141 141 ASP N N 15 . 1 1 141 141 ASP H H 1 0.833 0.020 . . . . . . . . . . 18388 1 126 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.793 0.017 . . . . . . . . . . 18388 1 127 . 1 1 143 143 ASP N N 15 . 1 1 143 143 ASP H H 1 0.804 0.008 . . . . . . . . . . 18388 1 128 . 1 1 144 144 ASN N N 15 . 1 1 144 144 ASN H H 1 0.746 0.013 . . . . . . . . . . 18388 1 129 . 1 1 145 145 ILE N N 15 . 1 1 145 145 ILE H H 1 0.849 0.021 . . . . . . . . . . 18388 1 130 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.841 0.015 . . . . . . . . . . 18388 1 131 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.865 0.011 . . . . . . . . . . 18388 1 132 . 1 1 148 148 ILE N N 15 . 1 1 148 148 ILE H H 1 0.825 0.013 . . . . . . . . . . 18388 1 133 . 1 1 149 149 HIS N N 15 . 1 1 149 149 HIS H H 1 0.882 0.016 . . . . . . . . . . 18388 1 134 . 1 1 150 150 PHE N N 15 . 1 1 150 150 PHE H H 1 0.880 0.014 . . . . . . . . . . 18388 1 135 . 1 1 151 151 MET N N 15 . 1 1 151 151 MET H H 1 0.821 0.012 . . . . . . . . . . 18388 1 136 . 1 1 152 152 TYR N N 15 . 1 1 152 152 TYR H H 1 0.868 0.017 . . . . . . . . . . 18388 1 137 . 1 1 153 153 ALA N N 15 . 1 1 153 153 ALA H H 1 0.810 0.026 . . . . . . . . . . 18388 1 138 . 1 1 154 154 ASN N N 15 . 1 1 154 154 ASN H H 1 0.817 0.013 . . . . . . . . . . 18388 1 139 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 0.898 0.030 . . . . . . . . . . 18388 1 140 . 1 1 156 156 LYS N N 15 . 1 1 156 156 LYS H H 1 0.848 0.012 . . . . . . . . . . 18388 1 141 . 1 1 157 157 SER N N 15 . 1 1 157 157 SER H H 1 0.797 0.013 . . . . . . . . . . 18388 1 142 . 1 1 158 158 GLY N N 15 . 1 1 158 158 GLY H H 1 0.834 0.010 . . . . . . . . . . 18388 1 143 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.808 0.010 . . . . . . . . . . 18388 1 144 . 1 1 160 160 PHE N N 15 . 1 1 160 160 PHE H H 1 0.845 0.009 . . . . . . . . . . 18388 1 145 . 1 1 161 161 VAL N N 15 . 1 1 161 161 VAL H H 1 0.850 0.008 . . . . . . . . . . 18388 1 146 . 1 1 162 162 VAL N N 15 . 1 1 162 162 VAL H H 1 0.917 0.017 . . . . . . . . . . 18388 1 147 . 1 1 163 163 ASP N N 15 . 1 1 163 163 ASP H H 1 0.861 0.011 . . . . . . . . . . 18388 1 148 . 1 1 164 164 ASN N N 15 . 1 1 164 164 ASN H H 1 0.847 0.012 . . . . . . . . . . 18388 1 149 . 1 1 165 165 ILE N N 15 . 1 1 165 165 ILE H H 1 0.850 0.010 . . . . . . . . . . 18388 1 150 . 1 1 166 166 LYS N N 15 . 1 1 166 166 LYS H H 1 0.859 0.011 . . . . . . . . . . 18388 1 151 . 1 1 167 167 LEU N N 15 . 1 1 167 167 LEU H H 1 0.734 0.013 . . . . . . . . . . 18388 1 152 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.807 0.027 . . . . . . . . . . 18388 1 153 . 1 1 169 169 GLY N N 15 . 1 1 169 169 GLY H H 1 0.789 0.036 . . . . . . . . . . 18388 1 154 . 1 1 170 170 ALA N N 15 . 1 1 170 170 ALA H H 1 0.602 0.010 . . . . . . . . . . 18388 1 155 . 1 1 171 171 LEU N N 15 . 1 1 171 171 LEU H H 1 0.476 0.008 . . . . . . . . . . 18388 1 156 . 1 1 172 172 GLU N N 15 . 1 1 172 172 GLU H H 1 0.190 0.004 . . . . . . . . . . 18388 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18388 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 18388 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 5 5 VAL N N 15 1.199 0.022 . . . . . 18388 1 2 . 1 1 6 6 GLY N N 15 0.723 0.003 . . . . . 18388 1 3 . 1 1 7 7 GLU N N 15 0.754 0.003 . . . . . 18388 1 4 . 1 1 8 8 LYS N N 15 0.670 0.004 . . . . . 18388 1 5 . 1 1 9 9 MET N N 15 0.738 0.004 . . . . . 18388 1 6 . 1 1 10 10 LEU N N 15 0.785 0.005 . . . . . 18388 1 7 . 1 1 11 11 ASP N N 15 0.760 0.003 . . . . . 18388 1 8 . 1 1 12 12 ASP N N 15 0.732 0.003 . . . . . 18388 1 9 . 1 1 13 13 PHE N N 15 0.761 0.003 . . . . . 18388 1 10 . 1 1 14 14 GLU N N 15 0.776 0.003 . . . . . 18388 1 11 . 1 1 15 15 GLY N N 15 0.788 0.002 . . . . . 18388 1 12 . 1 1 16 16 VAL N N 15 0.826 0.002 . . . . . 18388 1 13 . 1 1 17 17 LEU N N 15 0.754 0.002 . . . . . 18388 1 14 . 1 1 18 18 ASN N N 15 0.743 0.003 . . . . . 18388 1 15 . 1 1 19 19 TRP N N 15 0.817 0.004 . . . . . 18388 1 16 . 1 1 20 20 GLY N N 15 0.788 0.004 . . . . . 18388 1 17 . 1 1 21 21 SER N N 15 0.764 0.002 . . . . . 18388 1 18 . 1 1 22 22 TYR N N 15 0.704 0.003 . . . . . 18388 1 19 . 1 1 23 23 SER N N 15 0.769 0.003 . . . . . 18388 1 20 . 1 1 24 24 GLY N N 15 0.788 0.003 . . . . . 18388 1 21 . 1 1 25 25 GLU N N 15 0.693 0.004 . . . . . 18388 1 22 . 1 1 26 26 GLY N N 15 0.684 0.003 . . . . . 18388 1 23 . 1 1 27 27 ALA N N 15 0.744 0.003 . . . . . 18388 1 24 . 1 1 28 28 LYS N N 15 0.724 0.003 . . . . . 18388 1 25 . 1 1 29 29 VAL N N 15 0.746 0.002 . . . . . 18388 1 26 . 1 1 30 30 SER N N 15 0.779 0.003 . . . . . 18388 1 27 . 1 1 31 31 THR N N 15 0.781 0.001 . . . . . 18388 1 28 . 1 1 32 32 LYS N N 15 0.752 0.002 . . . . . 18388 1 29 . 1 1 33 33 ILE N N 15 0.790 0.003 . . . . . 18388 1 30 . 1 1 34 34 VAL N N 15 0.776 0.002 . . . . . 18388 1 31 . 1 1 35 35 SER N N 15 0.798 0.002 . . . . . 18388 1 32 . 1 1 36 36 GLY N N 15 0.755 0.003 . . . . . 18388 1 33 . 1 1 37 37 LYS N N 15 0.752 0.006 . . . . . 18388 1 34 . 1 1 38 38 THR N N 15 0.778 0.004 . . . . . 18388 1 35 . 1 1 40 40 ASN N N 15 0.828 0.005 . . . . . 18388 1 36 . 1 1 41 41 GLY N N 15 0.784 0.003 . . . . . 18388 1 37 . 1 1 42 42 MET N N 15 0.723 0.003 . . . . . 18388 1 38 . 1 1 43 43 GLU N N 15 0.708 0.003 . . . . . 18388 1 39 . 1 1 44 44 VAL N N 15 0.751 0.003 . . . . . 18388 1 40 . 1 1 45 45 SER N N 15 0.733 0.003 . . . . . 18388 1 41 . 1 1 46 46 TYR N N 15 0.718 0.003 . . . . . 18388 1 42 . 1 1 47 47 THR N N 15 0.790 0.003 . . . . . 18388 1 43 . 1 1 48 48 GLY N N 15 0.754 0.004 . . . . . 18388 1 44 . 1 1 49 49 THR N N 15 0.783 0.003 . . . . . 18388 1 45 . 1 1 50 50 THR N N 15 0.837 0.005 . . . . . 18388 1 46 . 1 1 51 51 ASP N N 15 0.728 0.002 . . . . . 18388 1 47 . 1 1 52 52 GLY N N 15 0.782 0.003 . . . . . 18388 1 48 . 1 1 53 53 TYR N N 15 0.739 0.003 . . . . . 18388 1 49 . 1 1 54 54 TRP N N 15 0.719 0.004 . . . . . 18388 1 50 . 1 1 55 55 GLY N N 15 0.734 0.004 . . . . . 18388 1 51 . 1 1 56 56 THR N N 15 0.732 0.004 . . . . . 18388 1 52 . 1 1 57 57 VAL N N 15 0.731 0.004 . . . . . 18388 1 53 . 1 1 58 58 TYR N N 15 0.738 0.005 . . . . . 18388 1 54 . 1 1 59 59 SER N N 15 0.757 0.004 . . . . . 18388 1 55 . 1 1 60 60 LEU N N 15 0.762 0.005 . . . . . 18388 1 56 . 1 1 62 62 ASP N N 15 0.778 0.003 . . . . . 18388 1 57 . 1 1 63 63 GLY N N 15 0.898 0.002 . . . . . 18388 1 58 . 1 1 64 64 ASP N N 15 0.697 0.002 . . . . . 18388 1 59 . 1 1 65 65 TRP N N 15 0.825 0.006 . . . . . 18388 1 60 . 1 1 66 66 SER N N 15 0.665 0.006 . . . . . 18388 1 61 . 1 1 70 70 LYS N N 15 0.847 0.012 . . . . . 18388 1 62 . 1 1 71 71 ILE N N 15 0.688 0.004 . . . . . 18388 1 63 . 1 1 72 72 SER N N 15 0.712 0.003 . . . . . 18388 1 64 . 1 1 73 73 PHE N N 15 0.687 0.002 . . . . . 18388 1 65 . 1 1 74 74 ASP N N 15 0.743 0.003 . . . . . 18388 1 66 . 1 1 75 75 ILE N N 15 0.736 0.003 . . . . . 18388 1 67 . 1 1 76 76 LYS N N 15 0.692 0.002 . . . . . 18388 1 68 . 1 1 77 77 SER N N 15 0.798 0.002 . . . . . 18388 1 69 . 1 1 78 78 VAL N N 15 0.707 0.005 . . . . . 18388 1 70 . 1 1 79 79 ASP N N 15 0.601 0.002 . . . . . 18388 1 71 . 1 1 80 80 GLY N N 15 0.678 0.003 . . . . . 18388 1 72 . 1 1 81 81 SER N N 15 0.598 0.002 . . . . . 18388 1 73 . 1 1 82 82 ALA N N 15 0.730 0.003 . . . . . 18388 1 74 . 1 1 83 83 ASN N N 15 0.706 0.002 . . . . . 18388 1 75 . 1 1 84 84 GLU N N 15 0.801 0.005 . . . . . 18388 1 76 . 1 1 85 85 ILE N N 15 0.775 0.003 . . . . . 18388 1 77 . 1 1 86 86 ARG N N 15 0.783 0.004 . . . . . 18388 1 78 . 1 1 87 87 PHE N N 15 0.819 0.004 . . . . . 18388 1 79 . 1 1 88 88 MET N N 15 0.719 0.004 . . . . . 18388 1 80 . 1 1 89 89 ILE N N 15 0.762 0.005 . . . . . 18388 1 81 . 1 1 90 90 ALA N N 15 0.726 0.004 . . . . . 18388 1 82 . 1 1 91 91 GLU N N 15 0.739 0.006 . . . . . 18388 1 83 . 1 1 92 92 LYS N N 15 0.702 0.005 . . . . . 18388 1 84 . 1 1 93 93 SER N N 15 0.761 0.003 . . . . . 18388 1 85 . 1 1 94 94 ILE N N 15 0.863 0.009 . . . . . 18388 1 86 . 1 1 95 95 ASN N N 15 0.763 0.003 . . . . . 18388 1 87 . 1 1 96 96 GLY N N 15 0.698 0.003 . . . . . 18388 1 88 . 1 1 97 97 VAL N N 15 0.757 0.002 . . . . . 18388 1 89 . 1 1 98 98 GLY N N 15 0.670 0.003 . . . . . 18388 1 90 . 1 1 99 99 ASP N N 15 0.820 0.003 . . . . . 18388 1 91 . 1 1 100 100 GLY N N 15 0.785 0.005 . . . . . 18388 1 92 . 1 1 103 103 TRP N N 15 0.753 0.004 . . . . . 18388 1 93 . 1 1 104 104 VAL N N 15 0.738 0.006 . . . . . 18388 1 94 . 1 1 105 105 TYR N N 15 0.730 0.004 . . . . . 18388 1 95 . 1 1 106 106 SER N N 15 0.716 0.004 . . . . . 18388 1 96 . 1 1 107 107 ILE N N 15 0.732 0.003 . . . . . 18388 1 97 . 1 1 108 108 THR N N 15 0.781 0.003 . . . . . 18388 1 98 . 1 1 110 110 ASP N N 15 0.725 0.003 . . . . . 18388 1 99 . 1 1 111 111 SER N N 15 0.682 0.003 . . . . . 18388 1 100 . 1 1 112 112 SER N N 15 0.750 0.002 . . . . . 18388 1 101 . 1 1 113 113 TRP N N 15 0.765 0.003 . . . . . 18388 1 102 . 1 1 114 114 LYS N N 15 0.743 0.003 . . . . . 18388 1 103 . 1 1 115 115 THR N N 15 0.788 0.003 . . . . . 18388 1 104 . 1 1 116 116 ILE N N 15 0.741 0.003 . . . . . 18388 1 105 . 1 1 117 117 GLU N N 15 0.741 0.003 . . . . . 18388 1 106 . 1 1 118 118 ILE N N 15 0.783 0.003 . . . . . 18388 1 107 . 1 1 120 120 PHE N N 15 0.791 0.008 . . . . . 18388 1 108 . 1 1 121 121 SER N N 15 0.727 0.003 . . . . . 18388 1 109 . 1 1 122 122 SER N N 15 0.765 0.004 . . . . . 18388 1 110 . 1 1 123 123 PHE N N 15 0.683 0.003 . . . . . 18388 1 111 . 1 1 124 124 ARG N N 15 0.817 0.004 . . . . . 18388 1 112 . 1 1 125 125 ARG N N 15 0.803 0.004 . . . . . 18388 1 113 . 1 1 126 126 ARG N N 15 0.784 0.006 . . . . . 18388 1 114 . 1 1 127 127 LEU N N 15 0.739 0.005 . . . . . 18388 1 115 . 1 1 128 128 ASP N N 15 0.718 0.003 . . . . . 18388 1 116 . 1 1 129 129 TYR N N 15 0.734 0.003 . . . . . 18388 1 117 . 1 1 130 130 GLN N N 15 0.818 0.007 . . . . . 18388 1 118 . 1 1 133 133 GLY N N 15 0.752 0.005 . . . . . 18388 1 119 . 1 1 134 134 GLN N N 15 0.773 0.006 . . . . . 18388 1 120 . 1 1 135 135 ASP N N 15 0.780 0.007 . . . . . 18388 1 121 . 1 1 136 136 MET N N 15 0.729 0.008 . . . . . 18388 1 122 . 1 1 137 137 SER N N 15 0.740 0.003 . . . . . 18388 1 123 . 1 1 138 138 GLY N N 15 0.733 0.005 . . . . . 18388 1 124 . 1 1 140 140 LEU N N 15 0.728 0.005 . . . . . 18388 1 125 . 1 1 141 141 ASP N N 15 0.871 0.007 . . . . . 18388 1 126 . 1 1 142 142 LEU N N 15 0.791 0.007 . . . . . 18388 1 127 . 1 1 143 143 ASP N N 15 0.691 0.002 . . . . . 18388 1 128 . 1 1 144 144 ASN N N 15 0.703 0.003 . . . . . 18388 1 129 . 1 1 145 145 ILE N N 15 0.795 0.007 . . . . . 18388 1 130 . 1 1 146 146 ASP N N 15 0.765 0.004 . . . . . 18388 1 131 . 1 1 147 147 SER N N 15 0.729 0.003 . . . . . 18388 1 132 . 1 1 148 148 ILE N N 15 0.719 0.004 . . . . . 18388 1 133 . 1 1 149 149 HIS N N 15 0.755 0.004 . . . . . 18388 1 134 . 1 1 150 150 PHE N N 15 0.783 0.004 . . . . . 18388 1 135 . 1 1 151 151 MET N N 15 0.781 0.004 . . . . . 18388 1 136 . 1 1 152 152 TYR N N 15 0.679 0.007 . . . . . 18388 1 137 . 1 1 153 153 ALA N N 15 0.794 0.006 . . . . . 18388 1 138 . 1 1 154 154 ASN N N 15 0.874 0.003 . . . . . 18388 1 139 . 1 1 155 155 ASN N N 15 0.787 0.004 . . . . . 18388 1 140 . 1 1 156 156 LYS N N 15 0.781 0.002 . . . . . 18388 1 141 . 1 1 157 157 SER N N 15 0.773 0.004 . . . . . 18388 1 142 . 1 1 158 158 GLY N N 15 0.730 0.003 . . . . . 18388 1 143 . 1 1 159 159 LYS N N 15 0.714 0.003 . . . . . 18388 1 144 . 1 1 160 160 PHE N N 15 0.734 0.002 . . . . . 18388 1 145 . 1 1 161 161 VAL N N 15 0.781 0.003 . . . . . 18388 1 146 . 1 1 162 162 VAL N N 15 0.626 0.003 . . . . . 18388 1 147 . 1 1 163 163 ASP N N 15 0.718 0.003 . . . . . 18388 1 148 . 1 1 164 164 ASN N N 15 0.770 0.003 . . . . . 18388 1 149 . 1 1 165 165 ILE N N 15 0.713 0.003 . . . . . 18388 1 150 . 1 1 166 166 LYS N N 15 0.753 0.003 . . . . . 18388 1 151 . 1 1 167 167 LEU N N 15 0.773 0.003 . . . . . 18388 1 152 . 1 1 168 168 ILE N N 15 0.770 0.007 . . . . . 18388 1 153 . 1 1 169 169 GLY N N 15 0.712 0.011 . . . . . 18388 1 154 . 1 1 170 170 ALA N N 15 0.745 0.003 . . . . . 18388 1 155 . 1 1 171 171 LEU N N 15 0.610 0.002 . . . . . 18388 1 156 . 1 1 172 172 GLU N N 15 0.654 0.002 . . . . . 18388 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18388 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 18388 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 5 5 VAL N N 15 0.109 0.005 . . . . . . . 18388 1 2 . 1 1 6 6 GLY N N 15 0.120 0.002 . . . . . . . 18388 1 3 . 1 1 7 7 GLU N N 15 0.066 0.001 . . . . . . . 18388 1 4 . 1 1 8 8 LYS N N 15 0.156 0.002 . . . . . . . 18388 1 5 . 1 1 9 9 MET N N 15 0.083 0.001 . . . . . . . 18388 1 6 . 1 1 10 10 LEU N N 15 0.079 0.001 . . . . . . . 18388 1 7 . 1 1 11 11 ASP N N 15 0.095 0.001 . . . . . . . 18388 1 8 . 1 1 12 12 ASP N N 15 0.082 0.001 . . . . . . . 18388 1 9 . 1 1 13 13 PHE N N 15 0.079 0.001 . . . . . . . 18388 1 10 . 1 1 14 14 GLU N N 15 0.074 0.001 . . . . . . . 18388 1 11 . 1 1 15 15 GLY N N 15 0.093 0.001 . . . . . . . 18388 1 12 . 1 1 16 16 VAL N N 15 0.092 0.001 . . . . . . . 18388 1 13 . 1 1 17 17 LEU N N 15 0.108 0.001 . . . . . . . 18388 1 14 . 1 1 18 18 ASN N N 15 0.083 0.001 . . . . . . . 18388 1 15 . 1 1 19 19 TRP N N 15 0.094 0.001 . . . . . . . 18388 1 16 . 1 1 20 20 GLY N N 15 0.084 0.001 . . . . . . . 18388 1 17 . 1 1 21 21 SER N N 15 0.112 0.001 . . . . . . . 18388 1 18 . 1 1 22 22 TYR N N 15 0.079 0.001 . . . . . . . 18388 1 19 . 1 1 23 23 SER N N 15 0.098 0.001 . . . . . . . 18388 1 20 . 1 1 24 24 GLY N N 15 0.083 0.001 . . . . . . . 18388 1 21 . 1 1 25 25 GLU N N 15 0.093 0.001 . . . . . . . 18388 1 22 . 1 1 26 26 GLY N N 15 0.084 0.001 . . . . . . . 18388 1 23 . 1 1 27 27 ALA N N 15 0.080 0.001 . . . . . . . 18388 1 24 . 1 1 28 28 LYS N N 15 0.088 0.001 . . . . . . . 18388 1 25 . 1 1 29 29 VAL N N 15 0.076 0.001 . . . . . . . 18388 1 26 . 1 1 30 30 SER N N 15 0.084 0.000 . . . . . . . 18388 1 27 . 1 1 31 31 THR N N 15 0.098 0.001 . . . . . . . 18388 1 28 . 1 1 32 32 LYS N N 15 0.088 0.001 . . . . . . . 18388 1 29 . 1 1 33 33 ILE N N 15 0.082 0.000 . . . . . . . 18388 1 30 . 1 1 34 34 VAL N N 15 0.085 0.001 . . . . . . . 18388 1 31 . 1 1 35 35 SER N N 15 0.082 0.001 . . . . . . . 18388 1 32 . 1 1 36 36 GLY N N 15 0.076 0.001 . . . . . . . 18388 1 33 . 1 1 37 37 LYS N N 15 0.071 0.001 . . . . . . . 18388 1 34 . 1 1 38 38 THR N N 15 0.090 0.001 . . . . . . . 18388 1 35 . 1 1 40 40 ASN N N 15 0.079 0.001 . . . . . . . 18388 1 36 . 1 1 41 41 GLY N N 15 0.080 0.001 . . . . . . . 18388 1 37 . 1 1 42 42 MET N N 15 0.079 0.001 . . . . . . . 18388 1 38 . 1 1 43 43 GLU N N 15 0.083 0.001 . . . . . . . 18388 1 39 . 1 1 44 44 VAL N N 15 0.081 0.001 . . . . . . . 18388 1 40 . 1 1 45 45 SER N N 15 0.086 0.001 . . . . . . . 18388 1 41 . 1 1 46 46 TYR N N 15 0.087 0.001 . . . . . . . 18388 1 42 . 1 1 47 47 THR N N 15 0.084 0.001 . . . . . . . 18388 1 43 . 1 1 48 48 GLY N N 15 0.091 0.001 . . . . . . . 18388 1 44 . 1 1 49 49 THR N N 15 0.078 0.001 . . . . . . . 18388 1 45 . 1 1 50 50 THR N N 15 0.074 0.001 . . . . . . . 18388 1 46 . 1 1 51 51 ASP N N 15 0.075 0.001 . . . . . . . 18388 1 47 . 1 1 52 52 GLY N N 15 0.088 0.001 . . . . . . . 18388 1 48 . 1 1 53 53 TYR N N 15 0.087 0.001 . . . . . . . 18388 1 49 . 1 1 54 54 TRP N N 15 0.070 0.001 . . . . . . . 18388 1 50 . 1 1 55 55 GLY N N 15 0.076 0.001 . . . . . . . 18388 1 51 . 1 1 56 56 THR N N 15 0.075 0.001 . . . . . . . 18388 1 52 . 1 1 57 57 VAL N N 15 0.086 0.001 . . . . . . . 18388 1 53 . 1 1 58 58 TYR N N 15 0.076 0.001 . . . . . . . 18388 1 54 . 1 1 59 59 SER N N 15 0.102 0.001 . . . . . . . 18388 1 55 . 1 1 60 60 LEU N N 15 0.084 0.001 . . . . . . . 18388 1 56 . 1 1 62 62 ASP N N 15 0.094 0.001 . . . . . . . 18388 1 57 . 1 1 63 63 GLY N N 15 0.082 0.000 . . . . . . . 18388 1 58 . 1 1 64 64 ASP N N 15 0.084 0.001 . . . . . . . 18388 1 59 . 1 1 65 65 TRP N N 15 0.070 0.001 . . . . . . . 18388 1 60 . 1 1 66 66 SER N N 15 0.084 0.002 . . . . . . . 18388 1 61 . 1 1 70 70 LYS N N 15 0.082 0.002 . . . . . . . 18388 1 62 . 1 1 71 71 ILE N N 15 0.074 0.001 . . . . . . . 18388 1 63 . 1 1 72 72 SER N N 15 0.079 0.001 . . . . . . . 18388 1 64 . 1 1 73 73 PHE N N 15 0.089 0.001 . . . . . . . 18388 1 65 . 1 1 74 74 ASP N N 15 0.085 0.001 . . . . . . . 18388 1 66 . 1 1 75 75 ILE N N 15 0.083 0.001 . . . . . . . 18388 1 67 . 1 1 76 76 LYS N N 15 0.077 0.001 . . . . . . . 18388 1 68 . 1 1 77 77 SER N N 15 0.087 0.001 . . . . . . . 18388 1 69 . 1 1 78 78 VAL N N 15 0.068 0.001 . . . . . . . 18388 1 70 . 1 1 79 79 ASP N N 15 0.096 0.001 . . . . . . . 18388 1 71 . 1 1 80 80 GLY N N 15 0.101 0.001 . . . . . . . 18388 1 72 . 1 1 81 81 SER N N 15 0.086 0.001 . . . . . . . 18388 1 73 . 1 1 82 82 ALA N N 15 0.092 0.001 . . . . . . . 18388 1 74 . 1 1 83 83 ASN N N 15 0.103 0.001 . . . . . . . 18388 1 75 . 1 1 84 84 GLU N N 15 0.080 0.001 . . . . . . . 18388 1 76 . 1 1 85 85 ILE N N 15 0.081 0.001 . . . . . . . 18388 1 77 . 1 1 86 86 ARG N N 15 0.091 0.001 . . . . . . . 18388 1 78 . 1 1 87 87 PHE N N 15 0.088 0.001 . . . . . . . 18388 1 79 . 1 1 88 88 MET N N 15 0.072 0.001 . . . . . . . 18388 1 80 . 1 1 89 89 ILE N N 15 0.082 0.001 . . . . . . . 18388 1 81 . 1 1 90 90 ALA N N 15 0.092 0.001 . . . . . . . 18388 1 82 . 1 1 91 91 GLU N N 15 0.091 0.001 . . . . . . . 18388 1 83 . 1 1 92 92 LYS N N 15 0.072 0.001 . . . . . . . 18388 1 84 . 1 1 93 93 SER N N 15 0.089 0.001 . . . . . . . 18388 1 85 . 1 1 94 94 ILE N N 15 0.093 0.002 . . . . . . . 18388 1 86 . 1 1 95 95 ASN N N 15 0.094 0.001 . . . . . . . 18388 1 87 . 1 1 96 96 GLY N N 15 0.098 0.001 . . . . . . . 18388 1 88 . 1 1 97 97 VAL N N 15 0.109 0.001 . . . . . . . 18388 1 89 . 1 1 98 98 GLY N N 15 0.097 0.001 . . . . . . . 18388 1 90 . 1 1 99 99 ASP N N 15 0.093 0.001 . . . . . . . 18388 1 91 . 1 1 100 100 GLY N N 15 0.080 0.001 . . . . . . . 18388 1 92 . 1 1 103 103 TRP N N 15 0.077 0.001 . . . . . . . 18388 1 93 . 1 1 104 104 VAL N N 15 0.076 0.001 . . . . . . . 18388 1 94 . 1 1 105 105 TYR N N 15 0.095 0.001 . . . . . . . 18388 1 95 . 1 1 106 106 SER N N 15 0.100 0.001 . . . . . . . 18388 1 96 . 1 1 107 107 ILE N N 15 0.076 0.001 . . . . . . . 18388 1 97 . 1 1 108 108 THR N N 15 0.078 0.001 . . . . . . . 18388 1 98 . 1 1 110 110 ASP N N 15 0.083 0.001 . . . . . . . 18388 1 99 . 1 1 111 111 SER N N 15 0.101 0.001 . . . . . . . 18388 1 100 . 1 1 112 112 SER N N 15 0.088 0.000 . . . . . . . 18388 1 101 . 1 1 113 113 TRP N N 15 0.079 0.001 . . . . . . . 18388 1 102 . 1 1 114 114 LYS N N 15 0.083 0.001 . . . . . . . 18388 1 103 . 1 1 115 115 THR N N 15 0.078 0.001 . . . . . . . 18388 1 104 . 1 1 116 116 ILE N N 15 0.080 0.001 . . . . . . . 18388 1 105 . 1 1 117 117 GLU N N 15 0.082 0.001 . . . . . . . 18388 1 106 . 1 1 118 118 ILE N N 15 0.094 0.001 . . . . . . . 18388 1 107 . 1 1 120 120 PHE N N 15 0.092 0.002 . . . . . . . 18388 1 108 . 1 1 121 121 SER N N 15 0.074 0.001 . . . . . . . 18388 1 109 . 1 1 122 122 SER N N 15 0.085 0.001 . . . . . . . 18388 1 110 . 1 1 123 123 PHE N N 15 0.071 0.001 . . . . . . . 18388 1 111 . 1 1 124 124 ARG N N 15 0.081 0.001 . . . . . . . 18388 1 112 . 1 1 125 125 ARG N N 15 0.088 0.001 . . . . . . . 18388 1 113 . 1 1 126 126 ARG N N 15 0.088 0.002 . . . . . . . 18388 1 114 . 1 1 127 127 LEU N N 15 0.092 0.001 . . . . . . . 18388 1 115 . 1 1 128 128 ASP N N 15 0.080 0.001 . . . . . . . 18388 1 116 . 1 1 129 129 TYR N N 15 0.079 0.001 . . . . . . . 18388 1 117 . 1 1 130 130 GLN N N 15 0.081 0.001 . . . . . . . 18388 1 118 . 1 1 133 133 GLY N N 15 0.065 0.001 . . . . . . . 18388 1 119 . 1 1 134 134 GLN N N 15 0.085 0.002 . . . . . . . 18388 1 120 . 1 1 135 135 ASP N N 15 0.121 0.005 . . . . . . . 18388 1 121 . 1 1 136 136 MET N N 15 0.039 0.001 . . . . . . . 18388 1 122 . 1 1 137 137 SER N N 15 0.085 0.001 . . . . . . . 18388 1 123 . 1 1 138 138 GLY N N 15 0.071 0.001 . . . . . . . 18388 1 124 . 1 1 140 140 LEU N N 15 0.081 0.001 . . . . . . . 18388 1 125 . 1 1 141 141 ASP N N 15 0.083 0.002 . . . . . . . 18388 1 126 . 1 1 142 142 LEU N N 15 0.081 0.001 . . . . . . . 18388 1 127 . 1 1 143 143 ASP N N 15 0.070 0.001 . . . . . . . 18388 1 128 . 1 1 144 144 ASN N N 15 0.082 0.001 . . . . . . . 18388 1 129 . 1 1 145 145 ILE N N 15 0.084 0.001 . . . . . . . 18388 1 130 . 1 1 146 146 ASP N N 15 0.094 0.001 . . . . . . . 18388 1 131 . 1 1 147 147 SER N N 15 0.091 0.001 . . . . . . . 18388 1 132 . 1 1 148 148 ILE N N 15 0.082 0.001 . . . . . . . 18388 1 133 . 1 1 149 149 HIS N N 15 0.076 0.001 . . . . . . . 18388 1 134 . 1 1 150 150 PHE N N 15 0.086 0.001 . . . . . . . 18388 1 135 . 1 1 151 151 MET N N 15 0.083 0.001 . . . . . . . 18388 1 136 . 1 1 152 152 TYR N N 15 0.078 0.001 . . . . . . . 18388 1 137 . 1 1 153 153 ALA N N 15 0.110 0.003 . . . . . . . 18388 1 138 . 1 1 154 154 ASN N N 15 0.108 0.001 . . . . . . . 18388 1 139 . 1 1 155 155 ASN N N 15 0.095 0.002 . . . . . . . 18388 1 140 . 1 1 156 156 LYS N N 15 0.087 0.001 . . . . . . . 18388 1 141 . 1 1 157 157 SER N N 15 0.104 0.002 . . . . . . . 18388 1 142 . 1 1 158 158 GLY N N 15 0.084 0.001 . . . . . . . 18388 1 143 . 1 1 159 159 LYS N N 15 0.084 0.001 . . . . . . . 18388 1 144 . 1 1 160 160 PHE N N 15 0.089 0.000 . . . . . . . 18388 1 145 . 1 1 161 161 VAL N N 15 0.083 0.001 . . . . . . . 18388 1 146 . 1 1 162 162 VAL N N 15 0.146 0.002 . . . . . . . 18388 1 147 . 1 1 163 163 ASP N N 15 0.078 0.001 . . . . . . . 18388 1 148 . 1 1 164 164 ASN N N 15 0.091 0.001 . . . . . . . 18388 1 149 . 1 1 165 165 ILE N N 15 0.079 0.000 . . . . . . . 18388 1 150 . 1 1 166 166 LYS N N 15 0.093 0.001 . . . . . . . 18388 1 151 . 1 1 167 167 LEU N N 15 0.086 0.001 . . . . . . . 18388 1 152 . 1 1 168 168 ILE N N 15 0.065 0.001 . . . . . . . 18388 1 153 . 1 1 169 169 GLY N N 15 0.057 0.002 . . . . . . . 18388 1 154 . 1 1 170 170 ALA N N 15 0.074 0.001 . . . . . . . 18388 1 155 . 1 1 171 171 LEU N N 15 0.125 0.001 . . . . . . . 18388 1 156 . 1 1 172 172 GLU N N 15 0.148 0.001 . . . . . . . 18388 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 18388 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 18388 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 5 5 VAL N N 15 0.53 1.20E-02 . 3.88E-12 . . 1.38E-11 . 2.24 0.40 . 4 . . . . . . . . . . . . . 18388 1 2 . 1 1 6 6 GLY N N 15 0.61 8.30E-03 . 1.59E-11 . . 6.07E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 3 . 1 1 7 7 GLU N N 15 0.78 3.50E-03 . 2.57E-12 . . 4.68E-11 . 5.87 0.14 . 4 . . . . . . . . . . . . . 18388 1 4 . 1 1 8 8 LYS N N 15 0.57 1.27E-02 . 1.19E-10 . . 1.26E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 5 . 1 1 9 9 MET N N 15 0.84 4.30E-03 . 4.32E-12 . . 3.29E-11 . 1.85 0.13 . 4 . . . . . . . . . . . . . 18388 1 6 . 1 1 10 10 LEU N N 15 0.83 6.70E-03 . 5.28E-12 . . 1.84E-11 . 2.04 0.15 . 4 . . . . . . . . . . . . . 18388 1 7 . 1 1 11 11 ASP N N 15 0.81 4.40E-03 . 3.35E-12 . . 1.07E-11 . 0.93 0.14 . 4 . . . . . . . . . . . . . 18388 1 8 . 1 1 12 12 ASP N N 15 0.83 3.50E-03 . 3.41E-12 . . 3.01E-11 . 2.24 0.15 . 4 . . . . . . . . . . . . . 18388 1 9 . 1 1 13 13 PHE N N 15 0.91 3.40E-03 . 0.00E+00 . . 0.00E+00 . 0.65 0.10 . 3 . . . . . . . . . . . . . 18388 1 10 . 1 1 14 14 GLU N N 15 0.86 3.20E-03 . 3.52E-12 . . 1.66E-11 . 2.22 0.11 . 4 . . . . . . . . . . . . . 18388 1 11 . 1 1 15 15 GLY N N 15 0.79 2.70E-03 . 2.01E-12 . . 2.82E-11 . 0.95 0.07 . 4 . . . . . . . . . . . . . 18388 1 12 . 1 1 16 16 VAL N N 15 0.78 2.30E-03 . 1.61E-12 . . 5.18E-11 . 0.54 0.07 . 4 . . . . . . . . . . . . . 18388 1 13 . 1 1 17 17 LEU N N 15 0.76 5.80E-03 . 1.90E-11 . . 6.31E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 14 . 1 1 18 18 ASN N N 15 0.85 4.20E-03 . 6.91E-12 . . 1.12E-10 . 0.79 0.13 . 4 . . . . . . . . . . . . . 18388 1 15 . 1 1 19 19 TRP N N 15 0.78 3.80E-03 . 2.60E-12 . . 4.19E-11 . 0.54 0.13 . 4 . . . . . . . . . . . . . 18388 1 16 . 1 1 20 20 GLY N N 15 0.84 4.50E-03 . 3.95E-12 . . 2.11E-11 . 0.91 0.14 . 4 . . . . . . . . . . . . . 18388 1 17 . 1 1 21 21 SER N N 15 0.87 9.30E-03 . 5.26E-11 . . 7.25E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 18 . 1 1 22 22 TYR N N 15 0.94 4.30E-03 . 1.24E-11 . . 5.34E-11 . 0.64 0.09 . 4 . . . . . . . . . . . . . 18388 1 19 . 1 1 23 23 SER N N 15 0.94 6.60E-03 . 3.21E-10 . . 1.44E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 20 . 1 1 24 24 GLY N N 15 0.88 3.30E-03 . 0.00E+00 . . 0.00E+00 . 0.41 0.13 . 3 . . . . . . . . . . . . . 18388 1 21 . 1 1 25 25 GLU N N 15 0.89 1.11E-02 . 1.47E-09 . . 2.39E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 22 . 1 1 26 26 GLY N N 15 0.91 4.20E-03 . 6.35E-12 . . 1.94E-11 . 1.07 0.12 . 4 . . . . . . . . . . . . . 18388 1 23 . 1 1 27 27 ALA N N 15 0.92 3.20E-03 . 6.27E-12 . . 4.53E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 24 . 1 1 28 28 LYS N N 15 0.94 1.21E-02 . 1.19E-10 . . 4.20E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 25 . 1 1 29 29 VAL N N 15 0.89 4.00E-03 . 5.03E-12 . . 4.36E-11 . 1.50 0.11 . 4 . . . . . . . . . . . . . 18388 1 26 . 1 1 30 30 SER N N 15 0.85 4.10E-03 . 3.26E-12 . . 3.07E-11 . 0.77 0.08 . 4 . . . . . . . . . . . . . 18388 1 27 . 1 1 31 31 THR N N 15 0.88 5.40E-03 . 7.94E-11 . . 1.23E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 28 . 1 1 32 32 LYS N N 15 0.84 3.40E-03 . 2.86E-12 . . 4.81E-11 . 0.72 0.08 . 4 . . . . . . . . . . . . . 18388 1 29 . 1 1 33 33 ILE N N 15 0.82 2.90E-03 . 2.43E-12 . . 2.64E-11 . 1.70 0.08 . 4 . . . . . . . . . . . . . 18388 1 30 . 1 1 34 34 VAL N N 15 0.85 2.70E-03 . 2.70E-12 . . 3.64E-11 . 0.50 0.07 . 4 . . . . . . . . . . . . . 18388 1 31 . 1 1 35 35 SER N N 15 0.83 2.70E-03 . 0.00E+00 . . 0.00E+00 . 1.58 0.08 . 3 . . . . . . . . . . . . . 18388 1 32 . 1 1 36 36 GLY N N 15 0.81 3.50E-03 . 2.66E-12 . . 1.42E-11 . 3.73 0.14 . 4 . . . . . . . . . . . . . 18388 1 33 . 1 1 37 37 LYS N N 15 0.83 7.60E-03 . 4.69E-12 . . 2.70E-11 . 4.03 0.19 . 4 . . . . . . . . . . . . . 18388 1 34 . 1 1 38 38 THR N N 15 0.85 4.80E-03 . 3.84E-12 . . 3.15E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 35 . 1 1 40 40 ASN N N 15 0.79 4.90E-03 . 2.54E-12 . . 1.44E-11 . 2.46 0.15 . 4 . . . . . . . . . . . . . 18388 1 36 . 1 1 41 41 GLY N N 15 0.86 3.30E-03 . 3.25E-12 . . 1.69E-11 . 1.21 0.10 . 4 . . . . . . . . . . . . . 18388 1 37 . 1 1 42 42 MET N N 15 0.91 4.70E-03 . 6.60E-12 . . 1.81E-11 . 1.12 0.14 . 4 . . . . . . . . . . . . . 18388 1 38 . 1 1 43 43 GLU N N 15 0.89 4.70E-03 . 4.68E-12 . . 4.79E-11 . 1.10 0.12 . 4 . . . . . . . . . . . . . 18388 1 39 . 1 1 44 44 VAL N N 15 0.87 5.00E-03 . 4.88E-12 . . 2.47E-11 . 1.35 0.15 . 4 . . . . . . . . . . . . . 18388 1 40 . 1 1 45 45 SER N N 15 0.87 4.00E-03 . 3.50E-12 . . 2.24E-11 . 0.85 0.14 . 4 . . . . . . . . . . . . . 18388 1 41 . 1 1 46 46 TYR N N 15 0.92 5.90E-03 . 1.12E-10 . . 9.34E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 42 . 1 1 47 47 THR N N 15 0.82 4.00E-03 . 3.38E-12 . . 2.95E-11 . 1.40 0.14 . 4 . . . . . . . . . . . . . 18388 1 43 . 1 1 48 48 GLY N N 15 0.88 7.20E-03 . 7.76E-11 . . 8.37E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 44 . 1 1 49 49 THR N N 15 0.85 4.20E-03 . 3.65E-12 . . 2.33E-11 . 1.62 0.11 . 4 . . . . . . . . . . . . . 18388 1 45 . 1 1 50 50 THR N N 15 0.80 5.10E-03 . 3.92E-12 . . 1.75E-11 . 3.00 0.30 . 4 . . . . . . . . . . . . . 18388 1 46 . 1 1 51 51 ASP N N 15 0.90 3.30E-03 . 6.66E-12 . . 6.89E-11 . 1.55 0.12 . 4 . . . . . . . . . . . . . 18388 1 47 . 1 1 52 52 GLY N N 15 0.84 3.60E-03 . 3.23E-12 . . 2.82E-11 . 0.40 0.08 . 4 . . . . . . . . . . . . . 18388 1 48 . 1 1 53 53 TYR N N 15 0.86 4.00E-03 . 4.31E-12 . . 1.80E-11 . 0.72 0.12 . 4 . . . . . . . . . . . . . 18388 1 49 . 1 1 54 54 TRP N N 15 0.90 6.60E-03 . 7.23E-12 . . 4.17E-11 . 2.84 0.21 . 4 . . . . . . . . . . . . . 18388 1 50 . 1 1 55 55 GLY N N 15 0.88 5.30E-03 . 5.48E-12 . . 3.15E-11 . 1.97 0.15 . 4 . . . . . . . . . . . . . 18388 1 51 . 1 1 56 56 THR N N 15 0.90 4.70E-03 . 0.00E+00 . . 0.00E+00 . 1.84 0.17 . 3 . . . . . . . . . . . . . 18388 1 52 . 1 1 57 57 VAL N N 15 0.88 5.40E-03 . 5.54E-12 . . 2.96E-11 . 0.65 0.16 . 4 . . . . . . . . . . . . . 18388 1 53 . 1 1 58 58 TYR N N 15 0.88 6.50E-03 . 0.00E+00 . . 0.00E+00 . 2.00 0.18 . 3 . . . . . . . . . . . . . 18388 1 54 . 1 1 59 59 SER N N 15 0.89 8.60E-03 . 3.10E-10 . . 1.26E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 55 . 1 1 60 60 LEU N N 15 0.84 5.20E-03 . 4.63E-12 . . 4.07E-11 . 1.20 0.17 . 4 . . . . . . . . . . . . . 18388 1 56 . 1 1 62 62 ASP N N 15 0.90 7.60E-03 . 6.21E-11 . . 5.00E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 57 . 1 1 63 63 GLY N N 15 0.74 1.70E-03 . 1.05E-12 . . 2.39E-11 . 2.41 0.06 . 4 . . . . . . . . . . . . . 18388 1 58 . 1 1 64 64 ASP N N 15 0.91 3.40E-03 . 5.41E-12 . . 5.99E-11 . 0.43 0.08 . 4 . . . . . . . . . . . . . 18388 1 59 . 1 1 65 65 TRP N N 15 0.76 7.60E-03 . 4.32E-12 . . 1.65E-11 . 4.98 0.27 . 4 . . . . . . . . . . . . . 18388 1 60 . 1 1 66 66 SER N N 15 0.91 1.94E-02 . 2.74E-09 . . 2.92E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 61 . 1 1 70 70 LYS N N 15 0.78 1.10E-02 . 0.00E+00 . . 0.00E+00 . 2.30 0.32 . 3 . . . . . . . . . . . . . 18388 1 62 . 1 1 71 71 ILE N N 15 0.89 6.00E-03 . 6.82E-12 . . 2.95E-11 . 2.94 0.15 . 4 . . . . . . . . . . . . . 18388 1 63 . 1 1 72 72 SER N N 15 0.89 4.50E-03 . 5.50E-12 . . 1.47E-11 . 1.82 0.12 . 4 . . . . . . . . . . . . . 18388 1 64 . 1 1 73 73 PHE N N 15 0.89 3.20E-03 . 4.12E-12 . . 1.37E-11 . 0.62 0.10 . 4 . . . . . . . . . . . . . 18388 1 65 . 1 1 74 74 ASP N N 15 0.83 3.60E-03 . 2.69E-12 . . 2.56E-11 . 1.81 0.10 . 4 . . . . . . . . . . . . . 18388 1 66 . 1 1 75 75 ILE N N 15 0.89 3.50E-03 . 4.63E-12 . . 1.86E-11 . 0.66 0.09 . 4 . . . . . . . . . . . . . 18388 1 67 . 1 1 76 76 LYS N N 15 0.96 3.90E-03 . 3.35E-11 . . 1.57E-10 . 0.39 0.11 . 4 . . . . . . . . . . . . . 18388 1 68 . 1 1 77 77 SER N N 15 0.83 3.10E-03 . 2.32E-12 . . 2.85E-11 . 0.56 0.10 . 4 . . . . . . . . . . . . . 18388 1 69 . 1 1 78 78 VAL N N 15 0.97 8.80E-03 . 1.27E-10 . . 1.36E-10 . 1.58 0.20 . 4 . . . . . . . . . . . . . 18388 1 70 . 1 1 79 79 ASP N N 15 0.70 1.04E-02 . 2.57E-11 . . 1.20E-09 . 0.58 0.13 . 4 . . . . . . . . . . . . . 18388 1 71 . 1 1 80 80 GLY N N 15 0.83 8.80E-03 . 4.54E-11 . . 6.50E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 72 . 1 1 81 81 SER N N 15 0.81 1.04E-02 . 3.09E-11 . . 1.09E-09 . 1.45 0.13 . 4 . . . . . . . . . . . . . 18388 1 73 . 1 1 82 82 ALA N N 15 0.83 4.80E-03 . 4.96E-12 . . 8.22E-11 . 0.56 0.12 . 4 . . . . . . . . . . . . . 18388 1 74 . 1 1 83 83 ASN N N 15 0.79 5.80E-03 . 2.12E-11 . . 3.75E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 75 . 1 1 84 84 GLU N N 15 0.77 5.20E-03 . 3.53E-12 . . 9.70E-12 . 3.22 0.19 . 4 . . . . . . . . . . . . . 18388 1 76 . 1 1 85 85 ILE N N 15 0.89 3.10E-03 . 0.00E+00 . . 0.00E+00 . 0.38 0.09 . 3 . . . . . . . . . . . . . 18388 1 77 . 1 1 86 86 ARG N N 15 0.84 5.10E-03 . 3.96E-12 . . 2.81E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 78 . 1 1 87 87 PHE N N 15 0.81 3.90E-03 . 2.66E-12 . . 2.43E-11 . 0.82 0.15 . 4 . . . . . . . . . . . . . 18388 1 79 . 1 1 88 88 MET N N 15 0.88 5.10E-03 . 0.00E+00 . . 0.00E+00 . 3.24 0.15 . 3 . . . . . . . . . . . . . 18388 1 80 . 1 1 89 89 ILE N N 15 0.81 5.50E-03 . 0.00E+00 . . 0.00E+00 . 2.50 0.17 . 3 . . . . . . . . . . . . . 18388 1 81 . 1 1 90 90 ALA N N 15 0.84 4.40E-03 . 4.78E-12 . . 3.36E-11 . 0.75 0.13 . 4 . . . . . . . . . . . . . 18388 1 82 . 1 1 91 91 GLU N N 15 0.83 8.40E-03 . 5.60E-12 . . 1.99E-11 . 1.17 0.18 . 4 . . . . . . . . . . . . . 18388 1 83 . 1 1 92 92 LYS N N 15 0.97 7.20E-03 . 7.82E-11 . . 9.99E-11 . 0.95 0.19 . 4 . . . . . . . . . . . . . 18388 1 84 . 1 1 93 93 SER N N 15 0.84 4.50E-03 . 4.98E-12 . . 2.45E-11 . 0.84 0.10 . 4 . . . . . . . . . . . . . 18388 1 85 . 1 1 94 94 ILE N N 15 0.72 8.10E-03 . 2.70E-12 . . 7.47E-12 . 2.11 0.24 . 4 . . . . . . . . . . . . . 18388 1 86 . 1 1 95 95 ASN N N 15 0.83 2.80E-03 . 2.68E-12 . . 5.37E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 87 . 1 1 96 96 GLY N N 15 0.78 7.20E-03 . 2.72E-11 . . 5.50E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 88 . 1 1 97 97 VAL N N 15 0.78 6.80E-03 . 2.26E-11 . . 4.98E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 89 . 1 1 98 98 GLY N N 15 0.79 7.30E-03 . 2.16E-11 . . 4.88E-10 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 90 . 1 1 99 99 ASP N N 15 0.72 2.90E-03 . 1.73E-12 . . 4.70E-11 . 2.07 0.10 . 4 . . . . . . . . . . . . . 18388 1 91 . 1 1 100 100 GLY N N 15 0.81 6.00E-03 . 3.78E-12 . . 2.23E-11 . 2.42 0.18 . 4 . . . . . . . . . . . . . 18388 1 92 . 1 1 103 103 TRP N N 15 0.81 6.00E-03 . 4.14E-12 . . 2.78E-11 . 3.23 0.14 . 4 . . . . . . . . . . . . . 18388 1 93 . 1 1 104 104 VAL N N 15 0.87 6.50E-03 . 0.00E+00 . . 0.00E+00 . 2.50 0.22 . 3 . . . . . . . . . . . . . 18388 1 94 . 1 1 105 105 TYR N N 15 0.96 1.01E-02 . 7.74E-10 . . 9.80E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 95 . 1 1 106 106 SER N N 15 0.87 9.40E-03 . 7.31E-11 . . 7.89E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 96 . 1 1 107 107 ILE N N 15 0.92 4.80E-03 . 7.62E-12 . . 4.14E-11 . 1.01 0.13 . 4 . . . . . . . . . . . . . 18388 1 97 . 1 1 108 108 THR N N 15 0.86 4.00E-03 . 4.54E-12 . . 2.55E-11 . 1.39 0.12 . 4 . . . . . . . . . . . . . 18388 1 98 . 1 1 110 110 ASP N N 15 0.85 3.90E-03 . 3.87E-12 . . 2.55E-11 . 1.88 0.10 . 4 . . . . . . . . . . . . . 18388 1 99 . 1 1 111 111 SER N N 15 0.89 1.07E-02 . 8.55E-11 . . 6.91E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 100 . 1 1 112 112 SER N N 15 0.86 2.90E-03 . 2.74E-12 . . 5.46E-11 . 0.16 0.06 . 4 . . . . . . . . . . . . . 18388 1 101 . 1 1 113 113 TRP N N 15 0.88 3.00E-03 . 3.90E-12 . . 1.82E-11 . 1.21 0.09 . 4 . . . . . . . . . . . . . 18388 1 102 . 1 1 114 114 LYS N N 15 0.90 4.20E-03 . 8.23E-12 . . 8.00E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 103 . 1 1 115 115 THR N N 15 0.86 4.10E-03 . 3.73E-12 . . 3.43E-11 . 1.20 0.17 . 4 . . . . . . . . . . . . . 18388 1 104 . 1 1 116 116 ILE N N 15 0.85 4.10E-03 . 3.72E-12 . . 2.09E-11 . 2.17 0.13 . 4 . . . . . . . . . . . . . 18388 1 105 . 1 1 117 117 GLU N N 15 0.86 3.70E-03 . 4.70E-12 . . 4.65E-11 . 1.20 0.11 . 4 . . . . . . . . . . . . . 18388 1 106 . 1 1 118 118 ILE N N 15 0.77 3.10E-03 . 2.34E-12 . . 2.32E-11 . 1.58 0.15 . 4 . . . . . . . . . . . . . 18388 1 107 . 1 1 120 120 PHE N N 15 0.94 1.88E-02 . 1.42E-09 . . 7.11E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 108 . 1 1 121 121 SER N N 15 0.92 4.10E-03 . 6.43E-12 . . 2.85E-11 . 1.66 0.11 . 4 . . . . . . . . . . . . . 18388 1 109 . 1 1 122 122 SER N N 15 0.82 5.00E-03 . 0.00E+00 . . 0.00E+00 . 2.02 0.14 . 3 . . . . . . . . . . . . . 18388 1 110 . 1 1 123 123 PHE N N 15 0.91 4.80E-03 . 1.11E-11 . . 4.12E-11 . 3.01 0.15 . 4 . . . . . . . . . . . . . 18388 1 111 . 1 1 124 124 ARG N N 15 0.81 5.40E-03 . 4.22E-12 . . 1.28E-11 . 1.81 0.15 . 4 . . . . . . . . . . . . . 18388 1 112 . 1 1 125 125 ARG N N 15 0.78 3.70E-03 . 3.32E-12 . . 2.07E-11 . 1.69 0.18 . 4 . . . . . . . . . . . . . 18388 1 113 . 1 1 126 126 ARG N N 15 0.83 8.10E-03 . 5.84E-12 . . 1.54E-11 . 0.95 0.24 . 4 . . . . . . . . . . . . . 18388 1 114 . 1 1 127 127 LEU N N 15 0.94 1.53E-02 . 8.41E-10 . . 8.49E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 115 . 1 1 128 128 ASP N N 15 0.88 4.10E-03 . 5.39E-12 . . 2.85E-11 . 1.63 0.15 . 4 . . . . . . . . . . . . . 18388 1 116 . 1 1 129 129 TYR N N 15 0.91 4.50E-03 . 7.30E-12 . . 2.58E-11 . 0.80 0.13 . 4 . . . . . . . . . . . . . 18388 1 117 . 1 1 130 130 GLN N N 15 0.84 7.50E-03 . 0.00E+00 . . 0.00E+00 . 1.05 0.22 . 3 . . . . . . . . . . . . . 18388 1 118 . 1 1 133 133 GLY N N 15 0.90 6.40E-03 . 0.00E+00 . . 0.00E+00 . 3.45 0.29 . 3 . . . . . . . . . . . . . 18388 1 119 . 1 1 134 134 GLN N N 15 0.83 7.10E-03 . 0.00E+00 . . 0.00E+00 . 1.49 0.20 . 3 . . . . . . . . . . . . . 18388 1 120 . 1 1 135 135 ASP N N 15 0.68 5.12E-02 . 2.46E-09 . . 8.71E-09 . 0.00 0.00 . 6 . . . . . . . . . . . . . 18388 1 121 . 1 1 136 136 MET N N 15 0.91 1.30E-02 . 2.08E-11 . . 5.75E-11 . 13.83 0.59 . 4 . . . . . . . . . . . . . 18388 1 122 . 1 1 137 137 SER N N 15 0.87 3.10E-03 . 0.00E+00 . . 0.00E+00 . 1.05 0.16 . 3 . . . . . . . . . . . . . 18388 1 123 . 1 1 138 138 GLY N N 15 0.93 6.70E-03 . 0.00E+00 . . 0.00E+00 . 1.83 0.25 . 3 . . . . . . . . . . . . . 18388 1 124 . 1 1 140 140 LEU N N 15 0.92 6.20E-03 . 1.11E-11 . . 5.32E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 125 . 1 1 141 141 ASP N N 15 0.78 5.90E-03 . 3.70E-12 . . 1.35E-11 . 1.65 0.23 . 4 . . . . . . . . . . . . . 18388 1 126 . 1 1 142 142 LEU N N 15 0.81 7.30E-03 . 4.24E-12 . . 2.84E-11 . 2.05 0.20 . 4 . . . . . . . . . . . . . 18388 1 127 . 1 1 143 143 ASP N N 15 0.89 3.90E-03 . 4.15E-12 . . 5.13E-11 . 3.48 0.13 . 4 . . . . . . . . . . . . . 18388 1 128 . 1 1 144 144 ASN N N 15 0.89 4.90E-03 . 9.48E-12 . . 9.26E-11 . 1.04 0.10 . 4 . . . . . . . . . . . . . 18388 1 129 . 1 1 145 145 ILE N N 15 0.80 7.10E-03 . 0.00E+00 . . 0.00E+00 . 2.13 0.20 . 3 . . . . . . . . . . . . . 18388 1 130 . 1 1 146 146 ASP N N 15 0.80 4.40E-03 . 3.21E-12 . . 1.44E-11 . 1.26 0.18 . 4 . . . . . . . . . . . . . 18388 1 131 . 1 1 147 147 SER N N 15 0.84 4.40E-03 . 3.83E-12 . . 1.14E-11 . 0.95 0.12 . 4 . . . . . . . . . . . . . 18388 1 132 . 1 1 148 148 ILE N N 15 0.89 5.50E-03 . 5.69E-12 . . 3.64E-11 . 1.03 0.14 . 4 . . . . . . . . . . . . . 18388 1 133 . 1 1 149 149 HIS N N 15 0.86 4.00E-03 . 0.00E+00 . . 0.00E+00 . 2.33 0.15 . 3 . . . . . . . . . . . . . 18388 1 134 . 1 1 150 150 PHE N N 15 0.86 4.30E-03 . 0.00E+00 . . 0.00E+00 . 0.35 0.14 . 3 . . . . . . . . . . . . . 18388 1 135 . 1 1 151 151 MET N N 15 0.87 5.00E-03 . 4.24E-12 . . 3.03E-11 . 0.48 0.16 . 4 . . . . . . . . . . . . . 18388 1 136 . 1 1 152 152 TYR N N 15 0.94 1.29E-02 . 3.82E-10 . . 1.32E-09 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 137 . 1 1 153 153 ALA N N 15 0.83 2.23E-02 . 8.38E-10 . . 1.40E-09 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 138 . 1 1 154 154 ASN N N 15 0.69 2.80E-03 . 1.96E-12 . . 1.18E-11 . 1.05 0.13 . 4 . . . . . . . . . . . . . 18388 1 139 . 1 1 155 155 ASN N N 15 0.79 4.00E-03 . 0.00E+00 . . 0.00E+00 . 1.22 0.16 . 3 . . . . . . . . . . . . . 18388 1 140 . 1 1 156 156 LYS N N 15 0.86 3.30E-03 . 4.16E-12 . . 1.69E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 141 . 1 1 157 157 SER N N 15 0.89 1.08E-02 . 1.27E-10 . . 8.34E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 142 . 1 1 158 158 GLY N N 15 0.89 4.10E-03 . 4.74E-12 . . 3.24E-11 . 0.50 0.13 . 4 . . . . . . . . . . . . . 18388 1 143 . 1 1 159 159 LYS N N 15 0.92 4.30E-03 . 8.83E-12 . . 6.37E-11 . 0.00 0.00 . 2 . . . . . . . . . . . . . 18388 1 144 . 1 1 160 160 PHE N N 15 0.94 5.10E-03 . 1.15E-10 . . 8.92E-10 . 0.00 0.00 . 5 . . . . . . . . . . . . . 18388 1 145 . 1 1 161 161 VAL N N 15 0.84 3.40E-03 . 2.33E-12 . . 1.54E-11 . 1.37 0.09 . 4 . . . . . . . . . . . . . 18388 1 146 . 1 1 162 162 VAL N N 15 0.35 7.70E-02 . 2.00E-09 . . 8.71E-09 . 0.00 0.00 . 6 . . . . . . . . . . . . . 18388 1 147 . 1 1 163 163 ASP N N 15 0.89 4.20E-03 . 5.79E-12 . . 1.90E-11 . 1.66 0.10 . 4 . . . . . . . . . . . . . 18388 1 148 . 1 1 164 164 ASN N N 15 0.82 3.60E-03 . 3.07E-12 . . 1.41E-11 . 1.05 0.12 . 4 . . . . . . . . . . . . . 18388 1 149 . 1 1 165 165 ILE N N 15 0.88 3.30E-03 . 4.22E-12 . . 2.21E-11 . 2.01 0.07 . 4 . . . . . . . . . . . . . 18388 1 150 . 1 1 166 166 LYS N N 15 0.82 3.90E-03 . 2.87E-12 . . 1.13E-11 . 0.94 0.13 . 4 . . . . . . . . . . . . . 18388 1 151 . 1 1 167 167 LEU N N 15 0.77 4.10E-03 . 2.83E-12 . . 3.71E-11 . 2.56 0.14 . 4 . . . . . . . . . . . . . 18388 1 152 . 1 1 168 168 ILE N N 15 0.81 7.50E-03 . 6.59E-12 . . 2.45E-11 . 5.42 0.22 . 4 . . . . . . . . . . . . . 18388 1 153 . 1 1 169 169 GLY N N 15 0.89 1.36E-02 . 1.90E-11 . . 5.84E-11 . 6.29 0.51 . 4 . . . . . . . . . . . . . 18388 1 154 . 1 1 170 170 ALA N N 15 0.83 3.70E-03 . 5.55E-12 . . 1.14E-10 . 2.74 0.12 . 4 . . . . . . . . . . . . . 18388 1 155 . 1 1 171 171 LEU N N 15 0.54 9.30E-03 . 1.02E-11 . . 7.93E-10 . 0.63 0.10 . 4 . . . . . . . . . . . . . 18388 1 156 . 1 1 172 172 GLU N N 15 0.41 7.10E-03 . 6.47E-12 . . 6.34E-10 . 0.81 0.08 . 4 . . . . . . . . . . . . . 18388 1 stop_ save_