data_17481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17481 _Entry.Title ; Solution NMR Structure of Q5HLI9 from Staphylococcus epidermidis, Northeast Structural Genomics Consortium Target SeR147 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-22 _Entry.Accession_date 2011-02-22 _Entry.Last_release_date 2011-05-02 _Entry.Original_release_date 2011-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeffrey Mills . L. . 17481 2 Alex Eletsky . . . 17481 3 Hsiau-Wei Lee . . . 17481 4 Dan Lee . . . 17481 5 Colleen Ciccosanti . . . 17481 6 Ari Sapin . . . 17481 7 Lei Mao . . . 17481 8 Rajesh Nair . . . 17481 9 Burkhard Rost . . . 17481 10 Thomas Acton . B. . 17481 11 Rong Xiao . . . 17481 12 John Everett . K. . 17481 13 James Prestegard . H. . 17481 14 Gaetano Montelione . T. . 17481 15 Thomas Szyperski . . . 17481 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17481 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17481 'Protein NMR' . 17481 'Protein Structure Initiative' . 17481 PSI-2 . 17481 'Structural Genomics' . 17481 'Target SeR147' . 17481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 634 17481 '15N chemical shifts' 155 17481 '1H chemical shifts' 1046 17481 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-02 2011-02-22 original author . 17481 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9P 'BMRB Entry Tracking System' 17481 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17481 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target SeR147' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Mills . L. . 17481 1 2 Alex Eletsky . . . 17481 1 3 Hsiau-Wei Lee . . . 17481 1 4 Dan Lee . . . 17481 1 5 Colleen Ciccosanti . . . 17481 1 6 Ari Sapin . . . 17481 1 7 Lei Mao . . . 17481 1 8 Rajesh Nair . . . 17481 1 9 Burkhard Rost . . . 17481 1 10 Thomas Acton . B. . 17481 1 11 Rong Xiao . . . 17481 1 12 John Everett . K. . 17481 1 13 James Prestegard . H. . 17481 1 14 Gaetano Montelione . T. . 17481 1 15 Thomas Szyperski . . . 17481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17481 _Assembly.ID 1 _Assembly.Name SeR147 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SeR147 1 $SeR147 A . yes native no no . . . 17481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SeR147 _Entity.Sf_category entity _Entity.Sf_framecode SeR147 _Entity.Entry_ID 17481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SeR147 _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 ; MTIEKKKNKIIFTRTFSAPI NKVFDAYTKRELFEQWFHPQ DASVTVYDFNATKGGSAFYA IQAPQMISYTIAEYLQVDAP YYIEYLDYFATSKGEKDTSM PGMHITLNFEEVKGKTTVTS TSTFPTESAAQQAIDMGVET GMNSTLNQLEKLLNQKLEHH HHHH ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18778.254 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L9P . "Solution Nmr Structure Of Q5hli9 From Staphylococcus Epidermidis, Northeast Structural Genomics Consortium Target Ser147" . . . . . 100.00 164 100.00 100.00 1.89e-117 . . . . 17481 1 2 no EMBL CDM14527 . "Probable glutathione S-transferase-related transmembrane protein [Staphylococcus epidermidis PM221]" . . . . . 95.12 156 98.72 99.36 9.91e-109 . . . . 17481 1 3 no GB AAO05627 . "conserved hypothetical protein [Staphylococcus epidermidis ATCC 12228]" . . . . . 95.12 156 100.00 100.00 2.69e-110 . . . . 17481 1 4 no GB AAW52927 . "conserved hypothetical protein [Staphylococcus epidermidis RP62A]" . . . . . 95.12 156 98.72 99.36 9.91e-109 . . . . 17481 1 5 no GB AIR83241 . "hypothetical protein DP17_933 [Staphylococcus epidermidis]" . . . . . 95.12 156 98.72 99.36 9.18e-109 . . . . 17481 1 6 no GB AJP25447 . "glutathione S-transferase [Staphylococcus epidermidis]" . . . . . 95.12 156 98.72 99.36 9.91e-109 . . . . 17481 1 7 no GB EES35074 . "hypothetical protein HMPREF0791_2319 [Staphylococcus epidermidis W23144]" . . . . . 95.12 156 97.44 98.08 4.85e-107 . . . . 17481 1 8 no REF NP_765541 . "hypothetical protein SE1986 [Staphylococcus epidermidis ATCC 12228]" . . . . . 95.12 156 100.00 100.00 2.69e-110 . . . . 17481 1 9 no REF WP_001831546 . "MULTISPECIES: glutathione S-transferase [Staphylococcus]" . . . . . 95.12 156 99.36 99.36 1.56e-109 . . . . 17481 1 10 no REF WP_001832905 . "glutathione S-transferase [Staphylococcus epidermidis]" . . . . . 93.29 160 98.04 98.69 9.30e-106 . . . . 17481 1 11 no REF WP_002438297 . "MULTISPECIES: glutathione S-transferase [Bacteria]" . . . . . 95.12 156 98.72 99.36 9.91e-109 . . . . 17481 1 12 no REF WP_002447189 . "glutathione S-transferase [Staphylococcus epidermidis]" . . . . . 95.12 156 97.44 98.08 4.85e-107 . . . . 17481 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17481 1 2 . THR . 17481 1 3 . ILE . 17481 1 4 . GLU . 17481 1 5 . LYS . 17481 1 6 . LYS . 17481 1 7 . LYS . 17481 1 8 . ASN . 17481 1 9 . LYS . 17481 1 10 . ILE . 17481 1 11 . ILE . 17481 1 12 . PHE . 17481 1 13 . THR . 17481 1 14 . ARG . 17481 1 15 . THR . 17481 1 16 . PHE . 17481 1 17 . SER . 17481 1 18 . ALA . 17481 1 19 . PRO . 17481 1 20 . ILE . 17481 1 21 . ASN . 17481 1 22 . LYS . 17481 1 23 . VAL . 17481 1 24 . PHE . 17481 1 25 . ASP . 17481 1 26 . ALA . 17481 1 27 . TYR . 17481 1 28 . THR . 17481 1 29 . LYS . 17481 1 30 . ARG . 17481 1 31 . GLU . 17481 1 32 . LEU . 17481 1 33 . PHE . 17481 1 34 . GLU . 17481 1 35 . GLN . 17481 1 36 . TRP . 17481 1 37 . PHE . 17481 1 38 . HIS . 17481 1 39 . PRO . 17481 1 40 . GLN . 17481 1 41 . ASP . 17481 1 42 . ALA . 17481 1 43 . SER . 17481 1 44 . VAL . 17481 1 45 . THR . 17481 1 46 . VAL . 17481 1 47 . TYR . 17481 1 48 . ASP . 17481 1 49 . PHE . 17481 1 50 . ASN . 17481 1 51 . ALA . 17481 1 52 . THR . 17481 1 53 . LYS . 17481 1 54 . GLY . 17481 1 55 . GLY . 17481 1 56 . SER . 17481 1 57 . ALA . 17481 1 58 . PHE . 17481 1 59 . TYR . 17481 1 60 . ALA . 17481 1 61 . ILE . 17481 1 62 . GLN . 17481 1 63 . ALA . 17481 1 64 . PRO . 17481 1 65 . GLN . 17481 1 66 . MET . 17481 1 67 . ILE . 17481 1 68 . SER . 17481 1 69 . TYR . 17481 1 70 . THR . 17481 1 71 . ILE . 17481 1 72 . ALA . 17481 1 73 . GLU . 17481 1 74 . TYR . 17481 1 75 . LEU . 17481 1 76 . GLN . 17481 1 77 . VAL . 17481 1 78 . ASP . 17481 1 79 . ALA . 17481 1 80 . PRO . 17481 1 81 . TYR . 17481 1 82 . TYR . 17481 1 83 . ILE . 17481 1 84 . GLU . 17481 1 85 . TYR . 17481 1 86 . LEU . 17481 1 87 . ASP . 17481 1 88 . TYR . 17481 1 89 . PHE . 17481 1 90 . ALA . 17481 1 91 . THR . 17481 1 92 . SER . 17481 1 93 . LYS . 17481 1 94 . GLY . 17481 1 95 . GLU . 17481 1 96 . LYS . 17481 1 97 . ASP . 17481 1 98 . THR . 17481 1 99 . SER . 17481 1 100 . MET . 17481 1 101 . PRO . 17481 1 102 . GLY . 17481 1 103 . MET . 17481 1 104 . HIS . 17481 1 105 . ILE . 17481 1 106 . THR . 17481 1 107 . LEU . 17481 1 108 . ASN . 17481 1 109 . PHE . 17481 1 110 . GLU . 17481 1 111 . GLU . 17481 1 112 . VAL . 17481 1 113 . LYS . 17481 1 114 . GLY . 17481 1 115 . LYS . 17481 1 116 . THR . 17481 1 117 . THR . 17481 1 118 . VAL . 17481 1 119 . THR . 17481 1 120 . SER . 17481 1 121 . THR . 17481 1 122 . SER . 17481 1 123 . THR . 17481 1 124 . PHE . 17481 1 125 . PRO . 17481 1 126 . THR . 17481 1 127 . GLU . 17481 1 128 . SER . 17481 1 129 . ALA . 17481 1 130 . ALA . 17481 1 131 . GLN . 17481 1 132 . GLN . 17481 1 133 . ALA . 17481 1 134 . ILE . 17481 1 135 . ASP . 17481 1 136 . MET . 17481 1 137 . GLY . 17481 1 138 . VAL . 17481 1 139 . GLU . 17481 1 140 . THR . 17481 1 141 . GLY . 17481 1 142 . MET . 17481 1 143 . ASN . 17481 1 144 . SER . 17481 1 145 . THR . 17481 1 146 . LEU . 17481 1 147 . ASN . 17481 1 148 . GLN . 17481 1 149 . LEU . 17481 1 150 . GLU . 17481 1 151 . LYS . 17481 1 152 . LEU . 17481 1 153 . LEU . 17481 1 154 . ASN . 17481 1 155 . GLN . 17481 1 156 . LYS . 17481 1 157 . LEU . 17481 1 158 . GLU . 17481 1 159 . HIS . 17481 1 160 . HIS . 17481 1 161 . HIS . 17481 1 162 . HIS . 17481 1 163 . HIS . 17481 1 164 . HIS . 17481 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 17481 1 . THR 2 2 17481 1 . ILE 3 3 17481 1 . GLU 4 4 17481 1 . LYS 5 5 17481 1 . LYS 6 6 17481 1 . LYS 7 7 17481 1 . ASN 8 8 17481 1 . LYS 9 9 17481 1 . ILE 10 10 17481 1 . ILE 11 11 17481 1 . PHE 12 12 17481 1 . THR 13 13 17481 1 . ARG 14 14 17481 1 . THR 15 15 17481 1 . PHE 16 16 17481 1 . SER 17 17 17481 1 . ALA 18 18 17481 1 . PRO 19 19 17481 1 . ILE 20 20 17481 1 . ASN 21 21 17481 1 . LYS 22 22 17481 1 . VAL 23 23 17481 1 . PHE 24 24 17481 1 . ASP 25 25 17481 1 . ALA 26 26 17481 1 . TYR 27 27 17481 1 . THR 28 28 17481 1 . LYS 29 29 17481 1 . ARG 30 30 17481 1 . GLU 31 31 17481 1 . LEU 32 32 17481 1 . PHE 33 33 17481 1 . GLU 34 34 17481 1 . GLN 35 35 17481 1 . TRP 36 36 17481 1 . PHE 37 37 17481 1 . HIS 38 38 17481 1 . PRO 39 39 17481 1 . GLN 40 40 17481 1 . ASP 41 41 17481 1 . ALA 42 42 17481 1 . SER 43 43 17481 1 . VAL 44 44 17481 1 . THR 45 45 17481 1 . VAL 46 46 17481 1 . TYR 47 47 17481 1 . ASP 48 48 17481 1 . PHE 49 49 17481 1 . ASN 50 50 17481 1 . ALA 51 51 17481 1 . THR 52 52 17481 1 . LYS 53 53 17481 1 . GLY 54 54 17481 1 . GLY 55 55 17481 1 . SER 56 56 17481 1 . ALA 57 57 17481 1 . PHE 58 58 17481 1 . TYR 59 59 17481 1 . ALA 60 60 17481 1 . ILE 61 61 17481 1 . GLN 62 62 17481 1 . ALA 63 63 17481 1 . PRO 64 64 17481 1 . GLN 65 65 17481 1 . MET 66 66 17481 1 . ILE 67 67 17481 1 . SER 68 68 17481 1 . TYR 69 69 17481 1 . THR 70 70 17481 1 . ILE 71 71 17481 1 . ALA 72 72 17481 1 . GLU 73 73 17481 1 . TYR 74 74 17481 1 . LEU 75 75 17481 1 . GLN 76 76 17481 1 . VAL 77 77 17481 1 . ASP 78 78 17481 1 . ALA 79 79 17481 1 . PRO 80 80 17481 1 . TYR 81 81 17481 1 . TYR 82 82 17481 1 . ILE 83 83 17481 1 . GLU 84 84 17481 1 . TYR 85 85 17481 1 . LEU 86 86 17481 1 . ASP 87 87 17481 1 . TYR 88 88 17481 1 . PHE 89 89 17481 1 . ALA 90 90 17481 1 . THR 91 91 17481 1 . SER 92 92 17481 1 . LYS 93 93 17481 1 . GLY 94 94 17481 1 . GLU 95 95 17481 1 . LYS 96 96 17481 1 . ASP 97 97 17481 1 . THR 98 98 17481 1 . SER 99 99 17481 1 . MET 100 100 17481 1 . PRO 101 101 17481 1 . GLY 102 102 17481 1 . MET 103 103 17481 1 . HIS 104 104 17481 1 . ILE 105 105 17481 1 . THR 106 106 17481 1 . LEU 107 107 17481 1 . ASN 108 108 17481 1 . PHE 109 109 17481 1 . GLU 110 110 17481 1 . GLU 111 111 17481 1 . VAL 112 112 17481 1 . LYS 113 113 17481 1 . GLY 114 114 17481 1 . LYS 115 115 17481 1 . THR 116 116 17481 1 . THR 117 117 17481 1 . VAL 118 118 17481 1 . THR 119 119 17481 1 . SER 120 120 17481 1 . THR 121 121 17481 1 . SER 122 122 17481 1 . THR 123 123 17481 1 . PHE 124 124 17481 1 . PRO 125 125 17481 1 . THR 126 126 17481 1 . GLU 127 127 17481 1 . SER 128 128 17481 1 . ALA 129 129 17481 1 . ALA 130 130 17481 1 . GLN 131 131 17481 1 . GLN 132 132 17481 1 . ALA 133 133 17481 1 . ILE 134 134 17481 1 . ASP 135 135 17481 1 . MET 136 136 17481 1 . GLY 137 137 17481 1 . VAL 138 138 17481 1 . GLU 139 139 17481 1 . THR 140 140 17481 1 . GLY 141 141 17481 1 . MET 142 142 17481 1 . ASN 143 143 17481 1 . SER 144 144 17481 1 . THR 145 145 17481 1 . LEU 146 146 17481 1 . ASN 147 147 17481 1 . GLN 148 148 17481 1 . LEU 149 149 17481 1 . GLU 150 150 17481 1 . LYS 151 151 17481 1 . LEU 152 152 17481 1 . LEU 153 153 17481 1 . ASN 154 154 17481 1 . GLN 155 155 17481 1 . LYS 156 156 17481 1 . LEU 157 157 17481 1 . GLU 158 158 17481 1 . HIS 159 159 17481 1 . HIS 160 160 17481 1 . HIS 161 161 17481 1 . HIS 162 162 17481 1 . HIS 163 163 17481 1 . HIS 164 164 17481 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17481 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SeR147 . 1282 organism . 'Staphylococcus epidermidis' 'Staphylococcus epidermidis' . . Bacteria . Staphylococcus epidermidis 'ATCC 35984' . . . . . . . . . . . . . . . SERP1998 . . . . 17481 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 17481 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SeR147 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 17481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 17481 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SeR147 '[U-100% 13C; U-100% 15N]' . . 1 $SeR147 . . 0.6 . . mM . . . . 17481 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17481 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17481 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17481 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17481 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17481 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17481 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 17481 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SeR147 '[U-5% 13C; U-100% 15N]' . . 1 $SeR147 . . 0.62 . . mM . . . . 17481 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17481 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17481 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17481 2 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17481 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17481 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17481 2 stop_ save_ save_NC5aniso _Sample.Sf_category sample _Sample.Sf_framecode NC5aniso _Sample.Entry_ID 17481 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SeR147 '[U-5% 13C; U-100% 15N]' . . 1 $SeR147 . . 0.41 . . mM . . . . 17481 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17481 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17481 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17481 3 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17481 3 6 phage 'natural abundance' . . . . . . 13.2 . . mg/mL . . . . 17481 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17481 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17481 3 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 17481 _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 pH 7.5 . pH 17481 1 pressure 1 . atm 17481 1 temperature 298 . K 17481 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17481 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17481 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17481 1 refinement 17481 1 'structure solution' 17481 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17481 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17481 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17481 2 refinement 17481 2 'structure solution' 17481 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17481 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17481 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17481 3 refinement 17481 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17481 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17481 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17481 4 'data analysis' 17481 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 17481 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 17481 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17481 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17481 _Software.ID 6 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller et al.' . . 17481 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17481 6 'data analysis' 17481 6 'peak picking' 17481 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17481 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17481 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17481 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17481 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17481 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17481 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17481 _Software.ID 9 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17481 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17481 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17481 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17481 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17481 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 loop_ _NMR_spectrometer_citation.Citation_ID _NMR_spectrometer_citation.Citation_label _NMR_spectrometer_citation.Entry_ID _NMR_spectrometer_citation.NMR_spectrometer_ID 1 $citations 17481 1 stop_ save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17481 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 loop_ _NMR_spectrometer_citation.Citation_ID _NMR_spectrometer_citation.Citation_label _NMR_spectrometer_citation.Entry_ID _NMR_spectrometer_citation.NMR_spectrometer_ID 1 $citations 17481 2 stop_ save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17481 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17481 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . 1 $citations 17481 1 2 spectrometer_2 Varian INOVA . 750 . 1 $citations 17481 1 3 spectrometer_3 Varian INOVA . 600 . . . 17481 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 17481 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 5 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17481 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17481 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $NC5aniso anisotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17481 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17481 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 17481 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 17481 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 17481 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 17481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17481 1 2 '2D 1H-13C HSQC' . . . 17481 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ILE HA H 1 5.271 0.020 . 1 . . . A 3 ILE HA . 17481 1 2 . 1 1 3 3 ILE HB H 1 0.876 0.020 . 1 . . . A 3 ILE HB . 17481 1 3 . 1 1 3 3 ILE HG12 H 1 2.100 0.020 . 2 . . . A 3 ILE HG12 . 17481 1 4 . 1 1 3 3 ILE HG13 H 1 2.046 0.020 . 2 . . . A 3 ILE HG13 . 17481 1 5 . 1 1 3 3 ILE HG21 H 1 0.875 0.020 . 1 . . . A 3 ILE HG21 . 17481 1 6 . 1 1 3 3 ILE HG22 H 1 0.875 0.020 . 1 . . . A 3 ILE HG22 . 17481 1 7 . 1 1 3 3 ILE HG23 H 1 0.875 0.020 . 1 . . . A 3 ILE HG23 . 17481 1 8 . 1 1 3 3 ILE HD11 H 1 0.876 0.020 . 1 . . . A 3 ILE HD11 . 17481 1 9 . 1 1 3 3 ILE HD12 H 1 0.876 0.020 . 1 . . . A 3 ILE HD12 . 17481 1 10 . 1 1 3 3 ILE HD13 H 1 0.876 0.020 . 1 . . . A 3 ILE HD13 . 17481 1 11 . 1 1 3 3 ILE C C 13 172.994 0.300 . 1 . . . A 3 ILE C . 17481 1 12 . 1 1 3 3 ILE CA C 13 59.741 0.300 . 1 . . . A 3 ILE CA . 17481 1 13 . 1 1 3 3 ILE CB C 13 42.618 0.300 . 1 . . . A 3 ILE CB . 17481 1 14 . 1 1 3 3 ILE CG1 C 13 29.716 0.300 . 1 . . . A 3 ILE CG1 . 17481 1 15 . 1 1 3 3 ILE CG2 C 13 16.040 0.300 . 1 . . . A 3 ILE CG2 . 17481 1 16 . 1 1 3 3 ILE CD1 C 13 16.276 0.300 . 1 . . . A 3 ILE CD1 . 17481 1 17 . 1 1 4 4 GLU H H 1 8.775 0.020 . 1 . . . A 4 GLU H . 17481 1 18 . 1 1 4 4 GLU HA H 1 4.549 0.020 . 1 . . . A 4 GLU HA . 17481 1 19 . 1 1 4 4 GLU HB2 H 1 1.928 0.020 . 2 . . . A 4 GLU HB2 . 17481 1 20 . 1 1 4 4 GLU HB3 H 1 1.878 0.020 . 2 . . . A 4 GLU HB3 . 17481 1 21 . 1 1 4 4 GLU HG2 H 1 2.166 0.020 . 2 . . . A 4 GLU HG2 . 17481 1 22 . 1 1 4 4 GLU HG3 H 1 2.017 0.020 . 2 . . . A 4 GLU HG3 . 17481 1 23 . 1 1 4 4 GLU C C 13 173.521 0.300 . 1 . . . A 4 GLU C . 17481 1 24 . 1 1 4 4 GLU CA C 13 55.205 0.300 . 1 . . . A 4 GLU CA . 17481 1 25 . 1 1 4 4 GLU CB C 13 34.026 0.300 . 1 . . . A 4 GLU CB . 17481 1 26 . 1 1 4 4 GLU CG C 13 36.243 0.300 . 1 . . . A 4 GLU CG . 17481 1 27 . 1 1 4 4 GLU N N 15 126.110 0.300 . 1 . . . A 4 GLU N . 17481 1 28 . 1 1 5 5 LYS H H 1 8.842 0.020 . 1 . . . A 5 LYS H . 17481 1 29 . 1 1 5 5 LYS HA H 1 5.093 0.020 . 1 . . . A 5 LYS HA . 17481 1 30 . 1 1 5 5 LYS HB2 H 1 1.804 0.020 . 2 . . . A 5 LYS HB2 . 17481 1 31 . 1 1 5 5 LYS HB3 H 1 1.472 0.020 . 2 . . . A 5 LYS HB3 . 17481 1 32 . 1 1 5 5 LYS HG2 H 1 1.283 0.020 . 1 . . . A 5 LYS HG2 . 17481 1 33 . 1 1 5 5 LYS HG3 H 1 1.283 0.020 . 1 . . . A 5 LYS HG3 . 17481 1 34 . 1 1 5 5 LYS HD2 H 1 1.596 0.020 . 1 . . . A 5 LYS HD2 . 17481 1 35 . 1 1 5 5 LYS HD3 H 1 1.596 0.020 . 1 . . . A 5 LYS HD3 . 17481 1 36 . 1 1 5 5 LYS HE2 H 1 3.004 0.020 . 1 . . . A 5 LYS HE2 . 17481 1 37 . 1 1 5 5 LYS HE3 H 1 3.004 0.020 . 1 . . . A 5 LYS HE3 . 17481 1 38 . 1 1 5 5 LYS C C 13 175.631 0.300 . 1 . . . A 5 LYS C . 17481 1 39 . 1 1 5 5 LYS CA C 13 54.896 0.300 . 1 . . . A 5 LYS CA . 17481 1 40 . 1 1 5 5 LYS CB C 13 34.013 0.300 . 1 . . . A 5 LYS CB . 17481 1 41 . 1 1 5 5 LYS CG C 13 24.372 0.300 . 1 . . . A 5 LYS CG . 17481 1 42 . 1 1 5 5 LYS CD C 13 29.320 0.300 . 1 . . . A 5 LYS CD . 17481 1 43 . 1 1 5 5 LYS CE C 13 41.846 0.300 . 1 . . . A 5 LYS CE . 17481 1 44 . 1 1 5 5 LYS N N 15 126.309 0.300 . 1 . . . A 5 LYS N . 17481 1 45 . 1 1 6 6 LYS H H 1 9.105 0.020 . 1 . . . A 6 LYS H . 17481 1 46 . 1 1 6 6 LYS HA H 1 4.573 0.020 . 1 . . . A 6 LYS HA . 17481 1 47 . 1 1 6 6 LYS HB2 H 1 1.689 0.020 . 1 . . . A 6 LYS HB2 . 17481 1 48 . 1 1 6 6 LYS HB3 H 1 1.689 0.020 . 1 . . . A 6 LYS HB3 . 17481 1 49 . 1 1 6 6 LYS HG2 H 1 1.282 0.020 . 1 . . . A 6 LYS HG2 . 17481 1 50 . 1 1 6 6 LYS HG3 H 1 1.282 0.020 . 1 . . . A 6 LYS HG3 . 17481 1 51 . 1 1 6 6 LYS HD2 H 1 1.601 0.020 . 1 . . . A 6 LYS HD2 . 17481 1 52 . 1 1 6 6 LYS HD3 H 1 1.601 0.020 . 1 . . . A 6 LYS HD3 . 17481 1 53 . 1 1 6 6 LYS HE2 H 1 3.004 0.020 . 1 . . . A 6 LYS HE2 . 17481 1 54 . 1 1 6 6 LYS HE3 H 1 3.004 0.020 . 1 . . . A 6 LYS HE3 . 17481 1 55 . 1 1 6 6 LYS CA C 13 54.896 0.300 . 1 . . . A 6 LYS CA . 17481 1 56 . 1 1 6 6 LYS CB C 13 33.958 0.300 . 1 . . . A 6 LYS CB . 17481 1 57 . 1 1 6 6 LYS CG C 13 24.666 0.300 . 1 . . . A 6 LYS CG . 17481 1 58 . 1 1 6 6 LYS CD C 13 29.358 0.300 . 1 . . . A 6 LYS CD . 17481 1 59 . 1 1 6 6 LYS CE C 13 41.994 0.300 . 1 . . . A 6 LYS CE . 17481 1 60 . 1 1 6 6 LYS N N 15 129.904 0.300 . 1 . . . A 6 LYS N . 17481 1 61 . 1 1 7 7 LYS HA H 1 3.671 0.020 . 1 . . . A 7 LYS HA . 17481 1 62 . 1 1 7 7 LYS HB2 H 1 2.132 0.020 . 2 . . . A 7 LYS HB2 . 17481 1 63 . 1 1 7 7 LYS HB3 H 1 1.924 0.020 . 2 . . . A 7 LYS HB3 . 17481 1 64 . 1 1 7 7 LYS HG2 H 1 1.456 0.020 . 1 . . . A 7 LYS HG2 . 17481 1 65 . 1 1 7 7 LYS HG3 H 1 1.456 0.020 . 1 . . . A 7 LYS HG3 . 17481 1 66 . 1 1 7 7 LYS HD2 H 1 1.907 0.020 . 2 . . . A 7 LYS HD2 . 17481 1 67 . 1 1 7 7 LYS HD3 H 1 1.742 0.020 . 2 . . . A 7 LYS HD3 . 17481 1 68 . 1 1 7 7 LYS HE2 H 1 3.003 0.020 . 1 . . . A 7 LYS HE2 . 17481 1 69 . 1 1 7 7 LYS HE3 H 1 3.003 0.020 . 1 . . . A 7 LYS HE3 . 17481 1 70 . 1 1 7 7 LYS C C 13 173.521 0.300 . 1 . . . A 7 LYS C . 17481 1 71 . 1 1 7 7 LYS CA C 13 59.154 0.300 . 1 . . . A 7 LYS CA . 17481 1 72 . 1 1 7 7 LYS CB C 13 30.116 0.300 . 1 . . . A 7 LYS CB . 17481 1 73 . 1 1 7 7 LYS CG C 13 25.318 0.300 . 1 . . . A 7 LYS CG . 17481 1 74 . 1 1 7 7 LYS CD C 13 29.209 0.300 . 1 . . . A 7 LYS CD . 17481 1 75 . 1 1 7 7 LYS CE C 13 42.159 0.300 . 1 . . . A 7 LYS CE . 17481 1 76 . 1 1 8 8 ASN H H 1 8.904 0.020 . 1 . . . A 8 ASN H . 17481 1 77 . 1 1 8 8 ASN HA H 1 4.527 0.020 . 1 . . . A 8 ASN HA . 17481 1 78 . 1 1 8 8 ASN HB2 H 1 2.240 0.020 . 1 . . . A 8 ASN HB2 . 17481 1 79 . 1 1 8 8 ASN HB3 H 1 3.147 0.020 . 1 . . . A 8 ASN HB3 . 17481 1 80 . 1 1 8 8 ASN HD21 H 1 7.803 0.020 . 2 . . . A 8 ASN HD21 . 17481 1 81 . 1 1 8 8 ASN HD22 H 1 7.264 0.020 . 2 . . . A 8 ASN HD22 . 17481 1 82 . 1 1 8 8 ASN C C 13 176.057 0.300 . 1 . . . A 8 ASN C . 17481 1 83 . 1 1 8 8 ASN CA C 13 53.646 0.300 . 1 . . . A 8 ASN CA . 17481 1 84 . 1 1 8 8 ASN CB C 13 36.234 0.300 . 1 . . . A 8 ASN CB . 17481 1 85 . 1 1 8 8 ASN N N 15 118.295 0.300 . 1 . . . A 8 ASN N . 17481 1 86 . 1 1 8 8 ASN ND2 N 15 115.283 0.300 . 1 . . . A 8 ASN ND2 . 17481 1 87 . 1 1 9 9 LYS H H 1 8.225 0.020 . 1 . . . A 9 LYS H . 17481 1 88 . 1 1 9 9 LYS HA H 1 5.750 0.020 . 1 . . . A 9 LYS HA . 17481 1 89 . 1 1 9 9 LYS HB2 H 1 1.902 0.020 . 2 . . . A 9 LYS HB2 . 17481 1 90 . 1 1 9 9 LYS HB3 H 1 1.505 0.020 . 2 . . . A 9 LYS HB3 . 17481 1 91 . 1 1 9 9 LYS HG2 H 1 1.574 0.020 . 2 . . . A 9 LYS HG2 . 17481 1 92 . 1 1 9 9 LYS HG3 H 1 1.402 0.020 . 2 . . . A 9 LYS HG3 . 17481 1 93 . 1 1 9 9 LYS HD2 H 1 1.615 0.020 . 2 . . . A 9 LYS HD2 . 17481 1 94 . 1 1 9 9 LYS HD3 H 1 1.475 0.020 . 2 . . . A 9 LYS HD3 . 17481 1 95 . 1 1 9 9 LYS HE2 H 1 3.134 0.020 . 1 . . . A 9 LYS HE2 . 17481 1 96 . 1 1 9 9 LYS HE3 H 1 3.134 0.020 . 1 . . . A 9 LYS HE3 . 17481 1 97 . 1 1 9 9 LYS C C 13 175.631 0.300 . 1 . . . A 9 LYS C . 17481 1 98 . 1 1 9 9 LYS CA C 13 55.264 0.300 . 1 . . . A 9 LYS CA . 17481 1 99 . 1 1 9 9 LYS CB C 13 35.750 0.300 . 1 . . . A 9 LYS CB . 17481 1 100 . 1 1 9 9 LYS CG C 13 25.936 0.300 . 1 . . . A 9 LYS CG . 17481 1 101 . 1 1 9 9 LYS CD C 13 29.754 0.300 . 1 . . . A 9 LYS CD . 17481 1 102 . 1 1 9 9 LYS CE C 13 42.233 0.300 . 1 . . . A 9 LYS CE . 17481 1 103 . 1 1 9 9 LYS N N 15 120.334 0.300 . 1 . . . A 9 LYS N . 17481 1 104 . 1 1 10 10 ILE H H 1 8.986 0.020 . 1 . . . A 10 ILE H . 17481 1 105 . 1 1 10 10 ILE HA H 1 4.877 0.020 . 1 . . . A 10 ILE HA . 17481 1 106 . 1 1 10 10 ILE HB H 1 1.933 0.020 . 1 . . . A 10 ILE HB . 17481 1 107 . 1 1 10 10 ILE HG12 H 1 1.653 0.020 . 1 . . . A 10 ILE HG12 . 17481 1 108 . 1 1 10 10 ILE HG13 H 1 1.653 0.020 . 1 . . . A 10 ILE HG13 . 17481 1 109 . 1 1 10 10 ILE HG21 H 1 0.866 0.020 . 1 . . . A 10 ILE HG21 . 17481 1 110 . 1 1 10 10 ILE HG22 H 1 0.866 0.020 . 1 . . . A 10 ILE HG22 . 17481 1 111 . 1 1 10 10 ILE HG23 H 1 0.866 0.020 . 1 . . . A 10 ILE HG23 . 17481 1 112 . 1 1 10 10 ILE HD11 H 1 0.884 0.020 . 1 . . . A 10 ILE HD11 . 17481 1 113 . 1 1 10 10 ILE HD12 H 1 0.884 0.020 . 1 . . . A 10 ILE HD12 . 17481 1 114 . 1 1 10 10 ILE HD13 H 1 0.884 0.020 . 1 . . . A 10 ILE HD13 . 17481 1 115 . 1 1 10 10 ILE C C 13 175.162 0.300 . 1 . . . A 10 ILE C . 17481 1 116 . 1 1 10 10 ILE CA C 13 60.347 0.300 . 1 . . . A 10 ILE CA . 17481 1 117 . 1 1 10 10 ILE CB C 13 40.339 0.300 . 1 . . . A 10 ILE CB . 17481 1 118 . 1 1 10 10 ILE CG1 C 13 27.906 0.300 . 1 . . . A 10 ILE CG1 . 17481 1 119 . 1 1 10 10 ILE CG2 C 13 17.776 0.300 . 1 . . . A 10 ILE CG2 . 17481 1 120 . 1 1 10 10 ILE CD1 C 13 13.680 0.300 . 1 . . . A 10 ILE CD1 . 17481 1 121 . 1 1 10 10 ILE N N 15 119.420 0.300 . 1 . . . A 10 ILE N . 17481 1 122 . 1 1 11 11 ILE H H 1 9.362 0.020 . 1 . . . A 11 ILE H . 17481 1 123 . 1 1 11 11 ILE HA H 1 5.260 0.020 . 1 . . . A 11 ILE HA . 17481 1 124 . 1 1 11 11 ILE HB H 1 1.750 0.020 . 1 . . . A 11 ILE HB . 17481 1 125 . 1 1 11 11 ILE HG12 H 1 1.430 0.020 . 1 . . . A 11 ILE HG12 . 17481 1 126 . 1 1 11 11 ILE HG13 H 1 1.237 0.020 . 1 . . . A 11 ILE HG13 . 17481 1 127 . 1 1 11 11 ILE HG21 H 1 0.783 0.020 . 1 . . . A 11 ILE HG21 . 17481 1 128 . 1 1 11 11 ILE HG22 H 1 0.783 0.020 . 1 . . . A 11 ILE HG22 . 17481 1 129 . 1 1 11 11 ILE HG23 H 1 0.783 0.020 . 1 . . . A 11 ILE HG23 . 17481 1 130 . 1 1 11 11 ILE HD11 H 1 0.813 0.020 . 1 . . . A 11 ILE HD11 . 17481 1 131 . 1 1 11 11 ILE HD12 H 1 0.813 0.020 . 1 . . . A 11 ILE HD12 . 17481 1 132 . 1 1 11 11 ILE HD13 H 1 0.813 0.020 . 1 . . . A 11 ILE HD13 . 17481 1 133 . 1 1 11 11 ILE C C 13 175.162 0.300 . 1 . . . A 11 ILE C . 17481 1 134 . 1 1 11 11 ILE CA C 13 60.886 0.300 . 1 . . . A 11 ILE CA . 17481 1 135 . 1 1 11 11 ILE CB C 13 40.416 0.300 . 1 . . . A 11 ILE CB . 17481 1 136 . 1 1 11 11 ILE CG1 C 13 29.118 0.300 . 1 . . . A 11 ILE CG1 . 17481 1 137 . 1 1 11 11 ILE CG2 C 13 18.989 0.300 . 1 . . . A 11 ILE CG2 . 17481 1 138 . 1 1 11 11 ILE CD1 C 13 15.116 0.300 . 1 . . . A 11 ILE CD1 . 17481 1 139 . 1 1 11 11 ILE N N 15 130.687 0.300 . 1 . . . A 11 ILE N . 17481 1 140 . 1 1 12 12 PHE H H 1 9.756 0.020 . 1 . . . A 12 PHE H . 17481 1 141 . 1 1 12 12 PHE HA H 1 5.526 0.020 . 1 . . . A 12 PHE HA . 17481 1 142 . 1 1 12 12 PHE HB2 H 1 3.230 0.020 . 2 . . . A 12 PHE HB2 . 17481 1 143 . 1 1 12 12 PHE HB3 H 1 2.856 0.020 . 2 . . . A 12 PHE HB3 . 17481 1 144 . 1 1 12 12 PHE HD1 H 1 7.145 0.020 . 1 . . . A 12 PHE HD1 . 17481 1 145 . 1 1 12 12 PHE HD2 H 1 7.145 0.020 . 1 . . . A 12 PHE HD2 . 17481 1 146 . 1 1 12 12 PHE HE1 H 1 7.145 0.020 . 1 . . . A 12 PHE HE1 . 17481 1 147 . 1 1 12 12 PHE HE2 H 1 7.145 0.020 . 1 . . . A 12 PHE HE2 . 17481 1 148 . 1 1 12 12 PHE C C 13 174.635 0.300 . 1 . . . A 12 PHE C . 17481 1 149 . 1 1 12 12 PHE CA C 13 56.384 0.300 . 1 . . . A 12 PHE CA . 17481 1 150 . 1 1 12 12 PHE CB C 13 43.792 0.300 . 1 . . . A 12 PHE CB . 17481 1 151 . 1 1 12 12 PHE CD2 C 13 131.551 0.300 . 1 . . . A 12 PHE CD2 . 17481 1 152 . 1 1 12 12 PHE CE2 C 13 130.983 0.300 . 1 . . . A 12 PHE CE2 . 17481 1 153 . 1 1 12 12 PHE N N 15 131.651 0.300 . 1 . . . A 12 PHE N . 17481 1 154 . 1 1 13 13 THR H H 1 8.164 0.020 . 1 . . . A 13 THR H . 17481 1 155 . 1 1 13 13 THR HA H 1 5.431 0.020 . 1 . . . A 13 THR HA . 17481 1 156 . 1 1 13 13 THR HB H 1 3.712 0.020 . 1 . . . A 13 THR HB . 17481 1 157 . 1 1 13 13 THR HG21 H 1 1.059 0.020 . 1 . . . A 13 THR HG21 . 17481 1 158 . 1 1 13 13 THR HG22 H 1 1.059 0.020 . 1 . . . A 13 THR HG22 . 17481 1 159 . 1 1 13 13 THR HG23 H 1 1.059 0.020 . 1 . . . A 13 THR HG23 . 17481 1 160 . 1 1 13 13 THR C C 13 172.936 0.300 . 1 . . . A 13 THR C . 17481 1 161 . 1 1 13 13 THR CA C 13 60.396 0.300 . 1 . . . A 13 THR CA . 17481 1 162 . 1 1 13 13 THR CB C 13 71.483 0.300 . 1 . . . A 13 THR CB . 17481 1 163 . 1 1 13 13 THR CG2 C 13 21.583 0.300 . 1 . . . A 13 THR CG2 . 17481 1 164 . 1 1 13 13 THR N N 15 120.974 0.300 . 1 . . . A 13 THR N . 17481 1 165 . 1 1 14 14 ARG H H 1 8.338 0.020 . 1 . . . A 14 ARG H . 17481 1 166 . 1 1 14 14 ARG HA H 1 4.320 0.020 . 1 . . . A 14 ARG HA . 17481 1 167 . 1 1 14 14 ARG HB2 H 1 1.526 0.020 . 1 . . . A 14 ARG HB2 . 17481 1 168 . 1 1 14 14 ARG HB3 H 1 1.709 0.020 . 1 . . . A 14 ARG HB3 . 17481 1 169 . 1 1 14 14 ARG HG2 H 1 1.285 0.020 . 2 . . . A 14 ARG HG2 . 17481 1 170 . 1 1 14 14 ARG HG3 H 1 1.042 0.020 . 2 . . . A 14 ARG HG3 . 17481 1 171 . 1 1 14 14 ARG HD2 H 1 3.175 0.020 . 2 . . . A 14 ARG HD2 . 17481 1 172 . 1 1 14 14 ARG HD3 H 1 3.066 0.020 . 2 . . . A 14 ARG HD3 . 17481 1 173 . 1 1 14 14 ARG C C 13 172.936 0.300 . 1 . . . A 14 ARG C . 17481 1 174 . 1 1 14 14 ARG CA C 13 55.521 0.300 . 1 . . . A 14 ARG CA . 17481 1 175 . 1 1 14 14 ARG CB C 13 34.700 0.300 . 1 . . . A 14 ARG CB . 17481 1 176 . 1 1 14 14 ARG CG C 13 27.462 0.300 . 1 . . . A 14 ARG CG . 17481 1 177 . 1 1 14 14 ARG CD C 13 42.943 0.300 . 1 . . . A 14 ARG CD . 17481 1 178 . 1 1 14 14 ARG N N 15 124.056 0.300 . 1 . . . A 14 ARG N . 17481 1 179 . 1 1 15 15 THR H H 1 8.465 0.020 . 1 . . . A 15 THR H . 17481 1 180 . 1 1 15 15 THR HA H 1 5.190 0.020 . 1 . . . A 15 THR HA . 17481 1 181 . 1 1 15 15 THR HB H 1 3.649 0.020 . 1 . . . A 15 THR HB . 17481 1 182 . 1 1 15 15 THR HG21 H 1 1.095 0.020 . 1 . . . A 15 THR HG21 . 17481 1 183 . 1 1 15 15 THR HG22 H 1 1.095 0.020 . 1 . . . A 15 THR HG22 . 17481 1 184 . 1 1 15 15 THR HG23 H 1 1.095 0.020 . 1 . . . A 15 THR HG23 . 17481 1 185 . 1 1 15 15 THR C C 13 173.170 0.300 . 1 . . . A 15 THR C . 17481 1 186 . 1 1 15 15 THR CA C 13 61.772 0.300 . 1 . . . A 15 THR CA . 17481 1 187 . 1 1 15 15 THR CB C 13 70.560 0.300 . 1 . . . A 15 THR CB . 17481 1 188 . 1 1 15 15 THR CG2 C 13 22.839 0.300 . 1 . . . A 15 THR CG2 . 17481 1 189 . 1 1 15 15 THR N N 15 122.323 0.300 . 1 . . . A 15 THR N . 17481 1 190 . 1 1 16 16 PHE H H 1 9.643 0.020 . 1 . . . A 16 PHE H . 17481 1 191 . 1 1 16 16 PHE HA H 1 4.859 0.020 . 1 . . . A 16 PHE HA . 17481 1 192 . 1 1 16 16 PHE HB2 H 1 3.004 0.020 . 2 . . . A 16 PHE HB2 . 17481 1 193 . 1 1 16 16 PHE HB3 H 1 2.660 0.020 . 2 . . . A 16 PHE HB3 . 17481 1 194 . 1 1 16 16 PHE HD1 H 1 7.192 0.020 . 1 . . . A 16 PHE HD1 . 17481 1 195 . 1 1 16 16 PHE HD2 H 1 7.192 0.020 . 1 . . . A 16 PHE HD2 . 17481 1 196 . 1 1 16 16 PHE HE1 H 1 7.186 0.020 . 1 . . . A 16 PHE HE1 . 17481 1 197 . 1 1 16 16 PHE HE2 H 1 7.186 0.020 . 1 . . . A 16 PHE HE2 . 17481 1 198 . 1 1 16 16 PHE CA C 13 56.459 0.300 . 1 . . . A 16 PHE CA . 17481 1 199 . 1 1 16 16 PHE CB C 13 43.168 0.300 . 1 . . . A 16 PHE CB . 17481 1 200 . 1 1 16 16 PHE CD2 C 13 131.876 0.300 . 1 . . . A 16 PHE CD2 . 17481 1 201 . 1 1 16 16 PHE CE2 C 13 129.932 0.300 . 1 . . . A 16 PHE CE2 . 17481 1 202 . 1 1 16 16 PHE N N 15 125.323 0.300 . 1 . . . A 16 PHE N . 17481 1 203 . 1 1 17 17 SER H H 1 7.947 0.020 . 1 . . . A 17 SER H . 17481 1 204 . 1 1 17 17 SER HA H 1 4.735 0.020 . 1 . . . A 17 SER HA . 17481 1 205 . 1 1 17 17 SER HB2 H 1 4.020 0.020 . 2 . . . A 17 SER HB2 . 17481 1 206 . 1 1 17 17 SER HB3 H 1 3.954 0.020 . 2 . . . A 17 SER HB3 . 17481 1 207 . 1 1 17 17 SER C C 13 173.229 0.300 . 1 . . . A 17 SER C . 17481 1 208 . 1 1 17 17 SER CA C 13 56.562 0.300 . 1 . . . A 17 SER CA . 17481 1 209 . 1 1 17 17 SER CB C 13 61.367 0.300 . 1 . . . A 17 SER CB . 17481 1 210 . 1 1 18 18 ALA H H 1 7.949 0.020 . 1 . . . A 18 ALA H . 17481 1 211 . 1 1 18 18 ALA HA H 1 4.761 0.020 . 1 . . . A 18 ALA HA . 17481 1 212 . 1 1 18 18 ALA HB1 H 1 1.209 0.020 . 1 . . . A 18 ALA HB1 . 17481 1 213 . 1 1 18 18 ALA HB2 H 1 1.209 0.020 . 1 . . . A 18 ALA HB2 . 17481 1 214 . 1 1 18 18 ALA HB3 H 1 1.209 0.020 . 1 . . . A 18 ALA HB3 . 17481 1 215 . 1 1 18 18 ALA CA C 13 49.896 0.300 . 1 . . . A 18 ALA CA . 17481 1 216 . 1 1 18 18 ALA CB C 13 21.660 0.300 . 1 . . . A 18 ALA CB . 17481 1 217 . 1 1 18 18 ALA N N 15 125.814 0.300 . 1 . . . A 18 ALA N . 17481 1 218 . 1 1 19 19 PRO HA H 1 4.207 0.020 . 1 . . . A 19 PRO HA . 17481 1 219 . 1 1 19 19 PRO HB2 H 1 3.003 0.020 . 2 . . . A 19 PRO HB2 . 17481 1 220 . 1 1 19 19 PRO HB3 H 1 1.846 0.020 . 2 . . . A 19 PRO HB3 . 17481 1 221 . 1 1 19 19 PRO HG2 H 1 1.438 0.020 . 1 . . . A 19 PRO HG2 . 17481 1 222 . 1 1 19 19 PRO HG3 H 1 0.675 0.020 . 1 . . . A 19 PRO HG3 . 17481 1 223 . 1 1 19 19 PRO HD2 H 1 2.903 0.020 . 2 . . . A 19 PRO HD2 . 17481 1 224 . 1 1 19 19 PRO HD3 H 1 2.184 0.020 . 2 . . . A 19 PRO HD3 . 17481 1 225 . 1 1 19 19 PRO CB C 13 30.123 0.300 . 1 . . . A 19 PRO CB . 17481 1 226 . 1 1 19 19 PRO CG C 13 23.708 0.300 . 1 . . . A 19 PRO CG . 17481 1 227 . 1 1 19 19 PRO CD C 13 48.226 0.300 . 1 . . . A 19 PRO CD . 17481 1 228 . 1 1 20 20 ILE HA H 1 4.126 0.020 . 1 . . . A 20 ILE HA . 17481 1 229 . 1 1 20 20 ILE HB H 1 2.066 0.020 . 1 . . . A 20 ILE HB . 17481 1 230 . 1 1 20 20 ILE HG12 H 1 1.555 0.020 . 1 . . . A 20 ILE HG12 . 17481 1 231 . 1 1 20 20 ILE HG13 H 1 1.555 0.020 . 1 . . . A 20 ILE HG13 . 17481 1 232 . 1 1 20 20 ILE HG21 H 1 0.923 0.020 . 1 . . . A 20 ILE HG21 . 17481 1 233 . 1 1 20 20 ILE HG22 H 1 0.923 0.020 . 1 . . . A 20 ILE HG22 . 17481 1 234 . 1 1 20 20 ILE HG23 H 1 0.923 0.020 . 1 . . . A 20 ILE HG23 . 17481 1 235 . 1 1 20 20 ILE HD11 H 1 0.920 0.020 . 1 . . . A 20 ILE HD11 . 17481 1 236 . 1 1 20 20 ILE HD12 H 1 0.920 0.020 . 1 . . . A 20 ILE HD12 . 17481 1 237 . 1 1 20 20 ILE HD13 H 1 0.920 0.020 . 1 . . . A 20 ILE HD13 . 17481 1 238 . 1 1 20 20 ILE C C 13 176.100 0.300 . 1 . . . A 20 ILE C . 17481 1 239 . 1 1 20 20 ILE CA C 13 65.938 0.300 . 1 . . . A 20 ILE CA . 17481 1 240 . 1 1 20 20 ILE CB C 13 38.128 0.300 . 1 . . . A 20 ILE CB . 17481 1 241 . 1 1 20 20 ILE CG1 C 13 29.295 0.300 . 1 . . . A 20 ILE CG1 . 17481 1 242 . 1 1 20 20 ILE CG2 C 13 15.341 0.300 . 1 . . . A 20 ILE CG2 . 17481 1 243 . 1 1 20 20 ILE CD1 C 13 15.209 0.300 . 1 . . . A 20 ILE CD1 . 17481 1 244 . 1 1 21 21 ASN H H 1 8.383 0.020 . 1 . . . A 21 ASN H . 17481 1 245 . 1 1 21 21 ASN HA H 1 4.134 0.020 . 1 . . . A 21 ASN HA . 17481 1 246 . 1 1 21 21 ASN HB2 H 1 2.707 0.020 . 2 . . . A 21 ASN HB2 . 17481 1 247 . 1 1 21 21 ASN HB3 H 1 2.599 0.020 . 2 . . . A 21 ASN HB3 . 17481 1 248 . 1 1 21 21 ASN HD21 H 1 8.040 0.020 . 2 . . . A 21 ASN HD21 . 17481 1 249 . 1 1 21 21 ASN HD22 H 1 6.916 0.020 . 2 . . . A 21 ASN HD22 . 17481 1 250 . 1 1 21 21 ASN C C 13 176.966 0.300 . 1 . . . A 21 ASN C . 17481 1 251 . 1 1 21 21 ASN CA C 13 57.084 0.300 . 1 . . . A 21 ASN CA . 17481 1 252 . 1 1 21 21 ASN CB C 13 37.791 0.300 . 1 . . . A 21 ASN CB . 17481 1 253 . 1 1 21 21 ASN N N 15 117.362 0.300 . 1 . . . A 21 ASN N . 17481 1 254 . 1 1 21 21 ASN ND2 N 15 113.814 0.300 . 1 . . . A 21 ASN ND2 . 17481 1 255 . 1 1 22 22 LYS H H 1 7.061 0.020 . 1 . . . A 22 LYS H . 17481 1 256 . 1 1 22 22 LYS HA H 1 4.057 0.020 . 1 . . . A 22 LYS HA . 17481 1 257 . 1 1 22 22 LYS HB2 H 1 1.839 0.020 . 2 . . . A 22 LYS HB2 . 17481 1 258 . 1 1 22 22 LYS HB3 H 1 1.743 0.020 . 2 . . . A 22 LYS HB3 . 17481 1 259 . 1 1 22 22 LYS HG2 H 1 1.525 0.020 . 1 . . . A 22 LYS HG2 . 17481 1 260 . 1 1 22 22 LYS HG3 H 1 1.382 0.020 . 1 . . . A 22 LYS HG3 . 17481 1 261 . 1 1 22 22 LYS HD2 H 1 1.652 0.020 . 1 . . . A 22 LYS HD2 . 17481 1 262 . 1 1 22 22 LYS HD3 H 1 1.652 0.020 . 1 . . . A 22 LYS HD3 . 17481 1 263 . 1 1 22 22 LYS HE2 H 1 2.970 0.020 . 1 . . . A 22 LYS HE2 . 17481 1 264 . 1 1 22 22 LYS HE3 H 1 2.970 0.020 . 1 . . . A 22 LYS HE3 . 17481 1 265 . 1 1 22 22 LYS C C 13 178.502 0.300 . 1 . . . A 22 LYS C . 17481 1 266 . 1 1 22 22 LYS CA C 13 58.124 0.300 . 1 . . . A 22 LYS CA . 17481 1 267 . 1 1 22 22 LYS CB C 13 32.308 0.300 . 1 . . . A 22 LYS CB . 17481 1 268 . 1 1 22 22 LYS CG C 13 25.164 0.300 . 1 . . . A 22 LYS CG . 17481 1 269 . 1 1 22 22 LYS CD C 13 28.729 0.300 . 1 . . . A 22 LYS CD . 17481 1 270 . 1 1 22 22 LYS CE C 13 42.102 0.300 . 1 . . . A 22 LYS CE . 17481 1 271 . 1 1 22 22 LYS N N 15 116.849 0.300 . 1 . . . A 22 LYS N . 17481 1 272 . 1 1 23 23 VAL H H 1 7.267 0.020 . 1 . . . A 23 VAL H . 17481 1 273 . 1 1 23 23 VAL HA H 1 3.324 0.020 . 1 . . . A 23 VAL HA . 17481 1 274 . 1 1 23 23 VAL HB H 1 2.122 0.020 . 1 . . . A 23 VAL HB . 17481 1 275 . 1 1 23 23 VAL HG11 H 1 0.992 0.020 . 1 . . . A 23 VAL HG11 . 17481 1 276 . 1 1 23 23 VAL HG12 H 1 0.992 0.020 . 1 . . . A 23 VAL HG12 . 17481 1 277 . 1 1 23 23 VAL HG13 H 1 0.992 0.020 . 1 . . . A 23 VAL HG13 . 17481 1 278 . 1 1 23 23 VAL HG21 H 1 0.812 0.020 . 1 . . . A 23 VAL HG21 . 17481 1 279 . 1 1 23 23 VAL HG22 H 1 0.812 0.020 . 1 . . . A 23 VAL HG22 . 17481 1 280 . 1 1 23 23 VAL HG23 H 1 0.812 0.020 . 1 . . . A 23 VAL HG23 . 17481 1 281 . 1 1 23 23 VAL C C 13 176.568 0.300 . 1 . . . A 23 VAL C . 17481 1 282 . 1 1 23 23 VAL CA C 13 66.543 0.300 . 1 . . . A 23 VAL CA . 17481 1 283 . 1 1 23 23 VAL CB C 13 31.889 0.300 . 1 . . . A 23 VAL CB . 17481 1 284 . 1 1 23 23 VAL CG1 C 13 22.279 0.300 . 1 . . . A 23 VAL CG1 . 17481 1 285 . 1 1 23 23 VAL CG2 C 13 23.316 0.300 . 1 . . . A 23 VAL CG2 . 17481 1 286 . 1 1 23 23 VAL N N 15 118.597 0.300 . 1 . . . A 23 VAL N . 17481 1 287 . 1 1 24 24 PHE H H 1 8.577 0.020 . 1 . . . A 24 PHE H . 17481 1 288 . 1 1 24 24 PHE HA H 1 3.394 0.020 . 1 . . . A 24 PHE HA . 17481 1 289 . 1 1 24 24 PHE HB2 H 1 2.731 0.020 . 1 . . . A 24 PHE HB2 . 17481 1 290 . 1 1 24 24 PHE HB3 H 1 2.479 0.020 . 1 . . . A 24 PHE HB3 . 17481 1 291 . 1 1 24 24 PHE HD1 H 1 6.890 0.020 . 1 . . . A 24 PHE HD1 . 17481 1 292 . 1 1 24 24 PHE HD2 H 1 6.890 0.020 . 1 . . . A 24 PHE HD2 . 17481 1 293 . 1 1 24 24 PHE HE1 H 1 7.061 0.020 . 1 . . . A 24 PHE HE1 . 17481 1 294 . 1 1 24 24 PHE HE2 H 1 7.061 0.020 . 1 . . . A 24 PHE HE2 . 17481 1 295 . 1 1 24 24 PHE C C 13 180.612 0.300 . 1 . . . A 24 PHE C . 17481 1 296 . 1 1 24 24 PHE CA C 13 62.513 0.300 . 1 . . . A 24 PHE CA . 17481 1 297 . 1 1 24 24 PHE CB C 13 39.528 0.300 . 1 . . . A 24 PHE CB . 17481 1 298 . 1 1 24 24 PHE CD2 C 13 131.230 0.300 . 1 . . . A 24 PHE CD2 . 17481 1 299 . 1 1 24 24 PHE CE2 C 13 131.414 0.300 . 1 . . . A 24 PHE CE2 . 17481 1 300 . 1 1 24 24 PHE N N 15 119.434 0.300 . 1 . . . A 24 PHE N . 17481 1 301 . 1 1 25 25 ASP H H 1 8.342 0.020 . 1 . . . A 25 ASP H . 17481 1 302 . 1 1 25 25 ASP HA H 1 4.253 0.020 . 1 . . . A 25 ASP HA . 17481 1 303 . 1 1 25 25 ASP HB2 H 1 2.818 0.020 . 1 . . . A 25 ASP HB2 . 17481 1 304 . 1 1 25 25 ASP HB3 H 1 2.307 0.020 . 1 . . . A 25 ASP HB3 . 17481 1 305 . 1 1 25 25 ASP C C 13 177.389 0.300 . 1 . . . A 25 ASP C . 17481 1 306 . 1 1 25 25 ASP CA C 13 56.935 0.300 . 1 . . . A 25 ASP CA . 17481 1 307 . 1 1 25 25 ASP CB C 13 40.121 0.300 . 1 . . . A 25 ASP CB . 17481 1 308 . 1 1 25 25 ASP N N 15 121.014 0.300 . 1 . . . A 25 ASP N . 17481 1 309 . 1 1 26 26 ALA H H 1 7.294 0.020 . 1 . . . A 26 ALA H . 17481 1 310 . 1 1 26 26 ALA HA H 1 4.136 0.020 . 1 . . . A 26 ALA HA . 17481 1 311 . 1 1 26 26 ALA HB1 H 1 1.197 0.020 . 1 . . . A 26 ALA HB1 . 17481 1 312 . 1 1 26 26 ALA HB2 H 1 1.197 0.020 . 1 . . . A 26 ALA HB2 . 17481 1 313 . 1 1 26 26 ALA HB3 H 1 1.197 0.020 . 1 . . . A 26 ALA HB3 . 17481 1 314 . 1 1 26 26 ALA C C 13 178.678 0.300 . 1 . . . A 26 ALA C . 17481 1 315 . 1 1 26 26 ALA CA C 13 54.561 0.300 . 1 . . . A 26 ALA CA . 17481 1 316 . 1 1 26 26 ALA CB C 13 17.708 0.300 . 1 . . . A 26 ALA CB . 17481 1 317 . 1 1 26 26 ALA N N 15 120.190 0.300 . 1 . . . A 26 ALA N . 17481 1 318 . 1 1 27 27 TYR H H 1 7.390 0.020 . 1 . . . A 27 TYR H . 17481 1 319 . 1 1 27 27 TYR HA H 1 4.602 0.020 . 1 . . . A 27 TYR HA . 17481 1 320 . 1 1 27 27 TYR HB2 H 1 2.827 0.020 . 1 . . . A 27 TYR HB2 . 17481 1 321 . 1 1 27 27 TYR HB3 H 1 2.722 0.020 . 1 . . . A 27 TYR HB3 . 17481 1 322 . 1 1 27 27 TYR C C 13 176.979 0.300 . 1 . . . A 27 TYR C . 17481 1 323 . 1 1 27 27 TYR CA C 13 61.147 0.300 . 1 . . . A 27 TYR CA . 17481 1 324 . 1 1 27 27 TYR CB C 13 41.662 0.300 . 1 . . . A 27 TYR CB . 17481 1 325 . 1 1 27 27 TYR N N 15 113.400 0.300 . 1 . . . A 27 TYR N . 17481 1 326 . 1 1 28 28 THR H H 1 7.273 0.020 . 1 . . . A 28 THR H . 17481 1 327 . 1 1 28 28 THR HA H 1 4.402 0.020 . 1 . . . A 28 THR HA . 17481 1 328 . 1 1 28 28 THR HB H 1 4.359 0.020 . 1 . . . A 28 THR HB . 17481 1 329 . 1 1 28 28 THR HG21 H 1 0.458 0.020 . 1 . . . A 28 THR HG21 . 17481 1 330 . 1 1 28 28 THR HG22 H 1 0.458 0.020 . 1 . . . A 28 THR HG22 . 17481 1 331 . 1 1 28 28 THR HG23 H 1 0.458 0.020 . 1 . . . A 28 THR HG23 . 17481 1 332 . 1 1 28 28 THR C C 13 173.639 0.300 . 1 . . . A 28 THR C . 17481 1 333 . 1 1 28 28 THR CA C 13 61.726 0.300 . 1 . . . A 28 THR CA . 17481 1 334 . 1 1 28 28 THR CB C 13 71.285 0.300 . 1 . . . A 28 THR CB . 17481 1 335 . 1 1 28 28 THR CG2 C 13 22.119 0.300 . 1 . . . A 28 THR CG2 . 17481 1 336 . 1 1 28 28 THR N N 15 102.962 0.300 . 1 . . . A 28 THR N . 17481 1 337 . 1 1 29 29 LYS H H 1 7.794 0.020 . 1 . . . A 29 LYS H . 17481 1 338 . 1 1 29 29 LYS HA H 1 4.868 0.020 . 1 . . . A 29 LYS HA . 17481 1 339 . 1 1 29 29 LYS HB2 H 1 1.760 0.020 . 1 . . . A 29 LYS HB2 . 17481 1 340 . 1 1 29 29 LYS HB3 H 1 1.760 0.020 . 1 . . . A 29 LYS HB3 . 17481 1 341 . 1 1 29 29 LYS HG2 H 1 1.426 0.020 . 1 . . . A 29 LYS HG2 . 17481 1 342 . 1 1 29 29 LYS HG3 H 1 1.426 0.020 . 1 . . . A 29 LYS HG3 . 17481 1 343 . 1 1 29 29 LYS HD2 H 1 1.652 0.020 . 1 . . . A 29 LYS HD2 . 17481 1 344 . 1 1 29 29 LYS HD3 H 1 1.652 0.020 . 1 . . . A 29 LYS HD3 . 17481 1 345 . 1 1 29 29 LYS HE2 H 1 2.959 0.020 . 1 . . . A 29 LYS HE2 . 17481 1 346 . 1 1 29 29 LYS HE3 H 1 2.959 0.020 . 1 . . . A 29 LYS HE3 . 17481 1 347 . 1 1 29 29 LYS C C 13 176.393 0.300 . 1 . . . A 29 LYS C . 17481 1 348 . 1 1 29 29 LYS CA C 13 54.584 0.300 . 1 . . . A 29 LYS CA . 17481 1 349 . 1 1 29 29 LYS CB C 13 32.901 0.300 . 1 . . . A 29 LYS CB . 17481 1 350 . 1 1 29 29 LYS CG C 13 24.998 0.300 . 1 . . . A 29 LYS CG . 17481 1 351 . 1 1 29 29 LYS CD C 13 28.861 0.300 . 1 . . . A 29 LYS CD . 17481 1 352 . 1 1 29 29 LYS CE C 13 42.456 0.300 . 1 . . . A 29 LYS CE . 17481 1 353 . 1 1 29 29 LYS N N 15 122.928 0.300 . 1 . . . A 29 LYS N . 17481 1 354 . 1 1 30 30 ARG H H 1 9.205 0.020 . 1 . . . A 30 ARG H . 17481 1 355 . 1 1 30 30 ARG HA H 1 2.348 0.020 . 1 . . . A 30 ARG HA . 17481 1 356 . 1 1 30 30 ARG HB2 H 1 1.741 0.020 . 1 . . . A 30 ARG HB2 . 17481 1 357 . 1 1 30 30 ARG HB3 H 1 1.543 0.020 . 1 . . . A 30 ARG HB3 . 17481 1 358 . 1 1 30 30 ARG HG2 H 1 1.305 0.020 . 2 . . . A 30 ARG HG2 . 17481 1 359 . 1 1 30 30 ARG HG3 H 1 1.091 0.020 . 2 . . . A 30 ARG HG3 . 17481 1 360 . 1 1 30 30 ARG HD2 H 1 3.109 0.020 . 1 . . . A 30 ARG HD2 . 17481 1 361 . 1 1 30 30 ARG HD3 H 1 3.109 0.020 . 1 . . . A 30 ARG HD3 . 17481 1 362 . 1 1 30 30 ARG C C 13 175.631 0.300 . 1 . . . A 30 ARG C . 17481 1 363 . 1 1 30 30 ARG CA C 13 59.939 0.300 . 1 . . . A 30 ARG CA . 17481 1 364 . 1 1 30 30 ARG CB C 13 30.665 0.300 . 1 . . . A 30 ARG CB . 17481 1 365 . 1 1 30 30 ARG CG C 13 26.311 0.300 . 1 . . . A 30 ARG CG . 17481 1 366 . 1 1 30 30 ARG CD C 13 43.803 0.300 . 1 . . . A 30 ARG CD . 17481 1 367 . 1 1 30 30 ARG N N 15 129.338 0.300 . 1 . . . A 30 ARG N . 17481 1 368 . 1 1 31 31 GLU H H 1 9.677 0.020 . 1 . . . A 31 GLU H . 17481 1 369 . 1 1 31 31 GLU HA H 1 4.136 0.020 . 1 . . . A 31 GLU HA . 17481 1 370 . 1 1 31 31 GLU HB2 H 1 1.976 0.020 . 1 . . . A 31 GLU HB2 . 17481 1 371 . 1 1 31 31 GLU HB3 H 1 1.976 0.020 . 1 . . . A 31 GLU HB3 . 17481 1 372 . 1 1 31 31 GLU HG2 H 1 2.295 0.020 . 2 . . . A 31 GLU HG2 . 17481 1 373 . 1 1 31 31 GLU HG3 H 1 2.155 0.020 . 2 . . . A 31 GLU HG3 . 17481 1 374 . 1 1 31 31 GLU C C 13 177.858 0.300 . 1 . . . A 31 GLU C . 17481 1 375 . 1 1 31 31 GLU CA C 13 58.688 0.300 . 1 . . . A 31 GLU CA . 17481 1 376 . 1 1 31 31 GLU CB C 13 28.245 0.300 . 1 . . . A 31 GLU CB . 17481 1 377 . 1 1 31 31 GLU CG C 13 35.891 0.300 . 1 . . . A 31 GLU CG . 17481 1 378 . 1 1 31 31 GLU N N 15 113.981 0.300 . 1 . . . A 31 GLU N . 17481 1 379 . 1 1 32 32 LEU H H 1 7.144 0.020 . 1 . . . A 32 LEU H . 17481 1 380 . 1 1 32 32 LEU HA H 1 4.457 0.020 . 1 . . . A 32 LEU HA . 17481 1 381 . 1 1 32 32 LEU HB2 H 1 2.129 0.020 . 1 . . . A 32 LEU HB2 . 17481 1 382 . 1 1 32 32 LEU HB3 H 1 1.345 0.020 . 1 . . . A 32 LEU HB3 . 17481 1 383 . 1 1 32 32 LEU HG H 1 1.569 0.020 . 1 . . . A 32 LEU HG . 17481 1 384 . 1 1 32 32 LEU HD11 H 1 0.842 0.020 . 2 . . . A 32 LEU HD11 . 17481 1 385 . 1 1 32 32 LEU HD12 H 1 0.842 0.020 . 2 . . . A 32 LEU HD12 . 17481 1 386 . 1 1 32 32 LEU HD13 H 1 0.842 0.020 . 2 . . . A 32 LEU HD13 . 17481 1 387 . 1 1 32 32 LEU HD21 H 1 0.802 0.020 . 2 . . . A 32 LEU HD21 . 17481 1 388 . 1 1 32 32 LEU HD22 H 1 0.802 0.020 . 2 . . . A 32 LEU HD22 . 17481 1 389 . 1 1 32 32 LEU HD23 H 1 0.802 0.020 . 2 . . . A 32 LEU HD23 . 17481 1 390 . 1 1 32 32 LEU C C 13 177.096 0.300 . 1 . . . A 32 LEU C . 17481 1 391 . 1 1 32 32 LEU CA C 13 56.673 0.300 . 1 . . . A 32 LEU CA . 17481 1 392 . 1 1 32 32 LEU CB C 13 43.101 0.300 . 1 . . . A 32 LEU CB . 17481 1 393 . 1 1 32 32 LEU CG C 13 27.166 0.300 . 1 . . . A 32 LEU CG . 17481 1 394 . 1 1 32 32 LEU CD1 C 13 23.438 0.300 . 1 . . . A 32 LEU CD1 . 17481 1 395 . 1 1 32 32 LEU CD2 C 13 22.695 0.300 . 1 . . . A 32 LEU CD2 . 17481 1 396 . 1 1 32 32 LEU N N 15 118.833 0.300 . 1 . . . A 32 LEU N . 17481 1 397 . 1 1 33 33 PHE H H 1 8.257 0.020 . 1 . . . A 33 PHE H . 17481 1 398 . 1 1 33 33 PHE HA H 1 3.883 0.020 . 1 . . . A 33 PHE HA . 17481 1 399 . 1 1 33 33 PHE HB2 H 1 2.424 0.020 . 1 . . . A 33 PHE HB2 . 17481 1 400 . 1 1 33 33 PHE HB3 H 1 2.022 0.020 . 1 . . . A 33 PHE HB3 . 17481 1 401 . 1 1 33 33 PHE C C 13 176.568 0.300 . 1 . . . A 33 PHE C . 17481 1 402 . 1 1 33 33 PHE CA C 13 62.018 0.300 . 1 . . . A 33 PHE CA . 17481 1 403 . 1 1 33 33 PHE CB C 13 40.694 0.300 . 1 . . . A 33 PHE CB . 17481 1 404 . 1 1 33 33 PHE N N 15 124.207 0.300 . 1 . . . A 33 PHE N . 17481 1 405 . 1 1 34 34 GLU H H 1 8.096 0.020 . 1 . . . A 34 GLU H . 17481 1 406 . 1 1 34 34 GLU HA H 1 3.675 0.020 . 1 . . . A 34 GLU HA . 17481 1 407 . 1 1 34 34 GLU HB2 H 1 2.041 0.020 . 2 . . . A 34 GLU HB2 . 17481 1 408 . 1 1 34 34 GLU HB3 H 1 1.783 0.020 . 2 . . . A 34 GLU HB3 . 17481 1 409 . 1 1 34 34 GLU HG2 H 1 2.328 0.020 . 2 . . . A 34 GLU HG2 . 17481 1 410 . 1 1 34 34 GLU HG3 H 1 2.008 0.020 . 2 . . . A 34 GLU HG3 . 17481 1 411 . 1 1 34 34 GLU C C 13 175.807 0.300 . 1 . . . A 34 GLU C . 17481 1 412 . 1 1 34 34 GLU CA C 13 56.902 0.300 . 1 . . . A 34 GLU CA . 17481 1 413 . 1 1 34 34 GLU CB C 13 29.583 0.300 . 1 . . . A 34 GLU CB . 17481 1 414 . 1 1 34 34 GLU CG C 13 35.300 0.300 . 1 . . . A 34 GLU CG . 17481 1 415 . 1 1 34 34 GLU N N 15 111.517 0.300 . 1 . . . A 34 GLU N . 17481 1 416 . 1 1 35 35 GLN H H 1 7.733 0.020 . 1 . . . A 35 GLN H . 17481 1 417 . 1 1 35 35 GLN HA H 1 4.347 0.020 . 1 . . . A 35 GLN HA . 17481 1 418 . 1 1 35 35 GLN HB2 H 1 2.287 0.020 . 1 . . . A 35 GLN HB2 . 17481 1 419 . 1 1 35 35 GLN HB3 H 1 2.360 0.020 . 1 . . . A 35 GLN HB3 . 17481 1 420 . 1 1 35 35 GLN HG2 H 1 2.287 0.020 . 1 . . . A 35 GLN HG2 . 17481 1 421 . 1 1 35 35 GLN HG3 H 1 2.621 0.020 . 1 . . . A 35 GLN HG3 . 17481 1 422 . 1 1 35 35 GLN HE21 H 1 7.701 0.020 . 1 . . . A 35 GLN HE21 . 17481 1 423 . 1 1 35 35 GLN HE22 H 1 6.976 0.020 . 1 . . . A 35 GLN HE22 . 17481 1 424 . 1 1 35 35 GLN C C 13 176.920 0.300 . 1 . . . A 35 GLN C . 17481 1 425 . 1 1 35 35 GLN CA C 13 57.084 0.300 . 1 . . . A 35 GLN CA . 17481 1 426 . 1 1 35 35 GLN CB C 13 30.559 0.300 . 1 . . . A 35 GLN CB . 17481 1 427 . 1 1 35 35 GLN CG C 13 34.721 0.300 . 1 . . . A 35 GLN CG . 17481 1 428 . 1 1 35 35 GLN N N 15 115.163 0.300 . 1 . . . A 35 GLN N . 17481 1 429 . 1 1 35 35 GLN NE2 N 15 112.139 0.300 . 1 . . . A 35 GLN NE2 . 17481 1 430 . 1 1 36 36 TRP H H 1 7.096 0.020 . 1 . . . A 36 TRP H . 17481 1 431 . 1 1 36 36 TRP HA H 1 4.752 0.020 . 1 . . . A 36 TRP HA . 17481 1 432 . 1 1 36 36 TRP HB2 H 1 2.513 0.020 . 1 . . . A 36 TRP HB2 . 17481 1 433 . 1 1 36 36 TRP HB3 H 1 3.181 0.020 . 1 . . . A 36 TRP HB3 . 17481 1 434 . 1 1 36 36 TRP HD1 H 1 7.195 0.020 . 1 . . . A 36 TRP HD1 . 17481 1 435 . 1 1 36 36 TRP HE1 H 1 9.860 0.020 . 1 . . . A 36 TRP HE1 . 17481 1 436 . 1 1 36 36 TRP HE3 H 1 7.339 0.020 . 1 . . . A 36 TRP HE3 . 17481 1 437 . 1 1 36 36 TRP HZ2 H 1 5.796 0.020 . 1 . . . A 36 TRP HZ2 . 17481 1 438 . 1 1 36 36 TRP HZ3 H 1 6.603 0.020 . 1 . . . A 36 TRP HZ3 . 17481 1 439 . 1 1 36 36 TRP HH2 H 1 6.837 0.020 . 1 . . . A 36 TRP HH2 . 17481 1 440 . 1 1 36 36 TRP C C 13 174.166 0.300 . 1 . . . A 36 TRP C . 17481 1 441 . 1 1 36 36 TRP CA C 13 56.459 0.300 . 1 . . . A 36 TRP CA . 17481 1 442 . 1 1 36 36 TRP CB C 13 31.555 0.300 . 1 . . . A 36 TRP CB . 17481 1 443 . 1 1 36 36 TRP CD1 C 13 126.782 0.300 . 1 . . . A 36 TRP CD1 . 17481 1 444 . 1 1 36 36 TRP CE3 C 13 121.752 0.300 . 1 . . . A 36 TRP CE3 . 17481 1 445 . 1 1 36 36 TRP CZ2 C 13 113.001 0.300 . 1 . . . A 36 TRP CZ2 . 17481 1 446 . 1 1 36 36 TRP CZ3 C 13 121.637 0.300 . 1 . . . A 36 TRP CZ3 . 17481 1 447 . 1 1 36 36 TRP CH2 C 13 125.334 0.300 . 1 . . . A 36 TRP CH2 . 17481 1 448 . 1 1 36 36 TRP N N 15 113.522 0.300 . 1 . . . A 36 TRP N . 17481 1 449 . 1 1 36 36 TRP NE1 N 15 129.507 0.300 . 1 . . . A 36 TRP NE1 . 17481 1 450 . 1 1 37 37 PHE H H 1 6.648 0.020 . 1 . . . A 37 PHE H . 17481 1 451 . 1 1 37 37 PHE HA H 1 2.930 0.020 . 1 . . . A 37 PHE HA . 17481 1 452 . 1 1 37 37 PHE HB2 H 1 1.265 0.020 . 2 . . . A 37 PHE HB2 . 17481 1 453 . 1 1 37 37 PHE HB3 H 1 -0.212 0.020 . 2 . . . A 37 PHE HB3 . 17481 1 454 . 1 1 37 37 PHE HD1 H 1 5.756 0.020 . 1 . . . A 37 PHE HD1 . 17481 1 455 . 1 1 37 37 PHE HD2 H 1 5.756 0.020 . 1 . . . A 37 PHE HD2 . 17481 1 456 . 1 1 37 37 PHE HE1 H 1 7.100 0.020 . 1 . . . A 37 PHE HE1 . 17481 1 457 . 1 1 37 37 PHE HE2 H 1 7.100 0.020 . 1 . . . A 37 PHE HE2 . 17481 1 458 . 1 1 37 37 PHE HZ H 1 7.119 0.020 . 1 . . . A 37 PHE HZ . 17481 1 459 . 1 1 37 37 PHE C C 13 170.943 0.300 . 1 . . . A 37 PHE C . 17481 1 460 . 1 1 37 37 PHE CA C 13 59.339 0.300 . 1 . . . A 37 PHE CA . 17481 1 461 . 1 1 37 37 PHE CB C 13 35.208 0.300 . 1 . . . A 37 PHE CB . 17481 1 462 . 1 1 37 37 PHE CD1 C 13 133.329 0.300 . 1 . . . A 37 PHE CD1 . 17481 1 463 . 1 1 37 37 PHE CE1 C 13 129.511 0.300 . 1 . . . A 37 PHE CE1 . 17481 1 464 . 1 1 37 37 PHE CZ C 13 127.683 0.300 . 1 . . . A 37 PHE CZ . 17481 1 465 . 1 1 37 37 PHE N N 15 124.184 0.300 . 1 . . . A 37 PHE N . 17481 1 466 . 1 1 38 38 HIS H H 1 7.502 0.020 . 1 . . . A 38 HIS H . 17481 1 467 . 1 1 38 38 HIS HA H 1 4.349 0.020 . 1 . . . A 38 HIS HA . 17481 1 468 . 1 1 38 38 HIS HB2 H 1 3.152 0.020 . 2 . . . A 38 HIS HB2 . 17481 1 469 . 1 1 38 38 HIS HB3 H 1 3.082 0.020 . 2 . . . A 38 HIS HB3 . 17481 1 470 . 1 1 38 38 HIS HD2 H 1 6.402 0.020 . 1 . . . A 38 HIS HD2 . 17481 1 471 . 1 1 38 38 HIS CA C 13 52.744 0.300 . 1 . . . A 38 HIS CA . 17481 1 472 . 1 1 38 38 HIS CB C 13 28.096 0.300 . 1 . . . A 38 HIS CB . 17481 1 473 . 1 1 38 38 HIS CD2 C 13 121.406 0.300 . 1 . . . A 38 HIS CD2 . 17481 1 474 . 1 1 38 38 HIS N N 15 115.781 0.300 . 1 . . . A 38 HIS N . 17481 1 475 . 1 1 39 39 PRO HA H 1 4.563 0.020 . 1 . . . A 39 PRO HA . 17481 1 476 . 1 1 39 39 PRO HB2 H 1 2.310 0.020 . 1 . . . A 39 PRO HB2 . 17481 1 477 . 1 1 39 39 PRO HB3 H 1 1.962 0.020 . 1 . . . A 39 PRO HB3 . 17481 1 478 . 1 1 39 39 PRO HG2 H 1 1.845 0.020 . 1 . . . A 39 PRO HG2 . 17481 1 479 . 1 1 39 39 PRO HG3 H 1 1.845 0.020 . 1 . . . A 39 PRO HG3 . 17481 1 480 . 1 1 39 39 PRO HD2 H 1 3.547 0.020 . 2 . . . A 39 PRO HD2 . 17481 1 481 . 1 1 39 39 PRO HD3 H 1 3.164 0.020 . 2 . . . A 39 PRO HD3 . 17481 1 482 . 1 1 39 39 PRO CA C 13 62.811 0.300 . 1 . . . A 39 PRO CA . 17481 1 483 . 1 1 39 39 PRO CB C 13 32.293 0.300 . 1 . . . A 39 PRO CB . 17481 1 484 . 1 1 39 39 PRO CG C 13 27.240 0.300 . 1 . . . A 39 PRO CG . 17481 1 485 . 1 1 39 39 PRO CD C 13 50.157 0.300 . 1 . . . A 39 PRO CD . 17481 1 486 . 1 1 40 40 GLN HE21 H 1 7.414 0.020 . 2 . . . A 40 GLN HE21 . 17481 1 487 . 1 1 40 40 GLN HE22 H 1 7.125 0.020 . 2 . . . A 40 GLN HE22 . 17481 1 488 . 1 1 40 40 GLN NE2 N 15 110.672 0.300 . 1 . . . A 40 GLN NE2 . 17481 1 489 . 1 1 41 41 ASP HA H 1 4.428 0.020 . 1 . . . A 41 ASP HA . 17481 1 490 . 1 1 41 41 ASP HB2 H 1 2.939 0.020 . 2 . . . A 41 ASP HB2 . 17481 1 491 . 1 1 41 41 ASP HB3 H 1 2.798 0.020 . 2 . . . A 41 ASP HB3 . 17481 1 492 . 1 1 41 41 ASP C C 13 173.814 0.300 . 1 . . . A 41 ASP C . 17481 1 493 . 1 1 41 41 ASP CA C 13 55.249 0.300 . 1 . . . A 41 ASP CA . 17481 1 494 . 1 1 41 41 ASP CB C 13 39.349 0.300 . 1 . . . A 41 ASP CB . 17481 1 495 . 1 1 42 42 ALA H H 1 7.553 0.020 . 1 . . . A 42 ALA H . 17481 1 496 . 1 1 42 42 ALA HA H 1 4.993 0.020 . 1 . . . A 42 ALA HA . 17481 1 497 . 1 1 42 42 ALA HB1 H 1 1.251 0.020 . 1 . . . A 42 ALA HB1 . 17481 1 498 . 1 1 42 42 ALA HB2 H 1 1.251 0.020 . 1 . . . A 42 ALA HB2 . 17481 1 499 . 1 1 42 42 ALA HB3 H 1 1.251 0.020 . 1 . . . A 42 ALA HB3 . 17481 1 500 . 1 1 42 42 ALA C C 13 175.221 0.300 . 1 . . . A 42 ALA C . 17481 1 501 . 1 1 42 42 ALA CA C 13 50.426 0.300 . 1 . . . A 42 ALA CA . 17481 1 502 . 1 1 42 42 ALA CB C 13 23.464 0.300 . 1 . . . A 42 ALA CB . 17481 1 503 . 1 1 42 42 ALA N N 15 120.465 0.300 . 1 . . . A 42 ALA N . 17481 1 504 . 1 1 43 43 SER H H 1 8.319 0.020 . 1 . . . A 43 SER H . 17481 1 505 . 1 1 43 43 SER HA H 1 4.161 0.020 . 1 . . . A 43 SER HA . 17481 1 506 . 1 1 43 43 SER HB2 H 1 3.668 0.020 . 2 . . . A 43 SER HB2 . 17481 1 507 . 1 1 43 43 SER HB3 H 1 3.556 0.020 . 2 . . . A 43 SER HB3 . 17481 1 508 . 1 1 43 43 SER CA C 13 56.384 0.300 . 1 . . . A 43 SER CA . 17481 1 509 . 1 1 43 43 SER CB C 13 66.057 0.300 . 1 . . . A 43 SER CB . 17481 1 510 . 1 1 43 43 SER N N 15 112.584 0.300 . 1 . . . A 43 SER N . 17481 1 511 . 1 1 44 44 VAL H H 1 8.493 0.020 . 1 . . . A 44 VAL H . 17481 1 512 . 1 1 44 44 VAL HA H 1 5.432 0.020 . 1 . . . A 44 VAL HA . 17481 1 513 . 1 1 44 44 VAL HB H 1 1.982 0.020 . 1 . . . A 44 VAL HB . 17481 1 514 . 1 1 44 44 VAL HG11 H 1 0.681 0.020 . 1 . . . A 44 VAL HG11 . 17481 1 515 . 1 1 44 44 VAL HG12 H 1 0.681 0.020 . 1 . . . A 44 VAL HG12 . 17481 1 516 . 1 1 44 44 VAL HG13 H 1 0.681 0.020 . 1 . . . A 44 VAL HG13 . 17481 1 517 . 1 1 44 44 VAL HG21 H 1 0.832 0.020 . 1 . . . A 44 VAL HG21 . 17481 1 518 . 1 1 44 44 VAL HG22 H 1 0.832 0.020 . 1 . . . A 44 VAL HG22 . 17481 1 519 . 1 1 44 44 VAL HG23 H 1 0.832 0.020 . 1 . . . A 44 VAL HG23 . 17481 1 520 . 1 1 44 44 VAL C C 13 174.107 0.300 . 1 . . . A 44 VAL C . 17481 1 521 . 1 1 44 44 VAL CA C 13 58.796 0.300 . 1 . . . A 44 VAL CA . 17481 1 522 . 1 1 44 44 VAL CB C 13 35.346 0.300 . 1 . . . A 44 VAL CB . 17481 1 523 . 1 1 44 44 VAL CG1 C 13 20.323 0.300 . 1 . . . A 44 VAL CG1 . 17481 1 524 . 1 1 44 44 VAL CG2 C 13 22.511 0.300 . 1 . . . A 44 VAL CG2 . 17481 1 525 . 1 1 44 44 VAL N N 15 121.318 0.300 . 1 . . . A 44 VAL N . 17481 1 526 . 1 1 45 45 THR H H 1 8.834 0.020 . 1 . . . A 45 THR H . 17481 1 527 . 1 1 45 45 THR HA H 1 4.261 0.020 . 1 . . . A 45 THR HA . 17481 1 528 . 1 1 45 45 THR HB H 1 3.604 0.020 . 1 . . . A 45 THR HB . 17481 1 529 . 1 1 45 45 THR HG21 H 1 0.698 0.020 . 1 . . . A 45 THR HG21 . 17481 1 530 . 1 1 45 45 THR HG22 H 1 0.698 0.020 . 1 . . . A 45 THR HG22 . 17481 1 531 . 1 1 45 45 THR HG23 H 1 0.698 0.020 . 1 . . . A 45 THR HG23 . 17481 1 532 . 1 1 45 45 THR C C 13 172.584 0.300 . 1 . . . A 45 THR C . 17481 1 533 . 1 1 45 45 THR CA C 13 61.728 0.300 . 1 . . . A 45 THR CA . 17481 1 534 . 1 1 45 45 THR CB C 13 71.014 0.300 . 1 . . . A 45 THR CB . 17481 1 535 . 1 1 45 45 THR CG2 C 13 21.511 0.300 . 1 . . . A 45 THR CG2 . 17481 1 536 . 1 1 45 45 THR N N 15 124.091 0.300 . 1 . . . A 45 THR N . 17481 1 537 . 1 1 46 46 VAL H H 1 9.238 0.020 . 1 . . . A 46 VAL H . 17481 1 538 . 1 1 46 46 VAL HA H 1 3.959 0.020 . 1 . . . A 46 VAL HA . 17481 1 539 . 1 1 46 46 VAL HB H 1 2.019 0.020 . 1 . . . A 46 VAL HB . 17481 1 540 . 1 1 46 46 VAL HG11 H 1 0.863 0.020 . 1 . . . A 46 VAL HG11 . 17481 1 541 . 1 1 46 46 VAL HG12 H 1 0.863 0.020 . 1 . . . A 46 VAL HG12 . 17481 1 542 . 1 1 46 46 VAL HG13 H 1 0.863 0.020 . 1 . . . A 46 VAL HG13 . 17481 1 543 . 1 1 46 46 VAL HG21 H 1 0.858 0.020 . 1 . . . A 46 VAL HG21 . 17481 1 544 . 1 1 46 46 VAL HG22 H 1 0.858 0.020 . 1 . . . A 46 VAL HG22 . 17481 1 545 . 1 1 46 46 VAL HG23 H 1 0.858 0.020 . 1 . . . A 46 VAL HG23 . 17481 1 546 . 1 1 46 46 VAL C C 13 174.518 0.300 . 1 . . . A 46 VAL C . 17481 1 547 . 1 1 46 46 VAL CA C 13 62.202 0.300 . 1 . . . A 46 VAL CA . 17481 1 548 . 1 1 46 46 VAL CB C 13 32.297 0.300 . 1 . . . A 46 VAL CB . 17481 1 549 . 1 1 46 46 VAL CG1 C 13 22.761 0.300 . 1 . . . A 46 VAL CG1 . 17481 1 550 . 1 1 46 46 VAL CG2 C 13 22.804 0.300 . 1 . . . A 46 VAL CG2 . 17481 1 551 . 1 1 46 46 VAL N N 15 127.237 0.300 . 1 . . . A 46 VAL N . 17481 1 552 . 1 1 47 47 TYR H H 1 8.671 0.020 . 1 . . . A 47 TYR H . 17481 1 553 . 1 1 47 47 TYR HA H 1 4.611 0.020 . 1 . . . A 47 TYR HA . 17481 1 554 . 1 1 47 47 TYR HB2 H 1 3.259 0.020 . 2 . . . A 47 TYR HB2 . 17481 1 555 . 1 1 47 47 TYR HB3 H 1 2.606 0.020 . 2 . . . A 47 TYR HB3 . 17481 1 556 . 1 1 47 47 TYR HD1 H 1 6.325 0.020 . 1 . . . A 47 TYR HD1 . 17481 1 557 . 1 1 47 47 TYR HD2 H 1 6.325 0.020 . 1 . . . A 47 TYR HD2 . 17481 1 558 . 1 1 47 47 TYR HE1 H 1 6.576 0.020 . 1 . . . A 47 TYR HE1 . 17481 1 559 . 1 1 47 47 TYR HE2 H 1 6.576 0.020 . 1 . . . A 47 TYR HE2 . 17481 1 560 . 1 1 47 47 TYR C C 13 175.982 0.300 . 1 . . . A 47 TYR C . 17481 1 561 . 1 1 47 47 TYR CA C 13 59.271 0.300 . 1 . . . A 47 TYR CA . 17481 1 562 . 1 1 47 47 TYR CB C 13 39.372 0.300 . 1 . . . A 47 TYR CB . 17481 1 563 . 1 1 47 47 TYR CD2 C 13 132.209 0.300 . 1 . . . A 47 TYR CD2 . 17481 1 564 . 1 1 47 47 TYR CE2 C 13 117.799 0.300 . 1 . . . A 47 TYR CE2 . 17481 1 565 . 1 1 47 47 TYR N N 15 127.754 0.300 . 1 . . . A 47 TYR N . 17481 1 566 . 1 1 48 48 ASP H H 1 8.255 0.020 . 1 . . . A 48 ASP H . 17481 1 567 . 1 1 48 48 ASP HA H 1 4.954 0.020 . 1 . . . A 48 ASP HA . 17481 1 568 . 1 1 48 48 ASP HB2 H 1 2.798 0.020 . 1 . . . A 48 ASP HB2 . 17481 1 569 . 1 1 48 48 ASP HB3 H 1 2.798 0.020 . 1 . . . A 48 ASP HB3 . 17481 1 570 . 1 1 48 48 ASP CA C 13 54.182 0.300 . 1 . . . A 48 ASP CA . 17481 1 571 . 1 1 48 48 ASP CB C 13 45.005 0.300 . 1 . . . A 48 ASP CB . 17481 1 572 . 1 1 48 48 ASP N N 15 117.880 0.300 . 1 . . . A 48 ASP N . 17481 1 573 . 1 1 49 49 PHE HA H 1 4.375 0.020 . 1 . . . A 49 PHE HA . 17481 1 574 . 1 1 49 49 PHE HB2 H 1 2.956 0.020 . 2 . . . A 49 PHE HB2 . 17481 1 575 . 1 1 49 49 PHE HB3 H 1 2.681 0.020 . 2 . . . A 49 PHE HB3 . 17481 1 576 . 1 1 49 49 PHE HD1 H 1 6.708 0.020 . 1 . . . A 49 PHE HD1 . 17481 1 577 . 1 1 49 49 PHE HD2 H 1 6.708 0.020 . 1 . . . A 49 PHE HD2 . 17481 1 578 . 1 1 49 49 PHE HE1 H 1 6.386 0.020 . 1 . . . A 49 PHE HE1 . 17481 1 579 . 1 1 49 49 PHE HE2 H 1 6.386 0.020 . 1 . . . A 49 PHE HE2 . 17481 1 580 . 1 1 49 49 PHE C C 13 172.525 0.300 . 1 . . . A 49 PHE C . 17481 1 581 . 1 1 49 49 PHE CA C 13 60.469 0.300 . 1 . . . A 49 PHE CA . 17481 1 582 . 1 1 49 49 PHE CB C 13 42.437 0.300 . 1 . . . A 49 PHE CB . 17481 1 583 . 1 1 49 49 PHE CD2 C 13 129.792 0.300 . 1 . . . A 49 PHE CD2 . 17481 1 584 . 1 1 49 49 PHE CE2 C 13 130.894 0.300 . 1 . . . A 49 PHE CE2 . 17481 1 585 . 1 1 50 50 ASN H H 1 8.000 0.020 . 1 . . . A 50 ASN H . 17481 1 586 . 1 1 50 50 ASN HA H 1 4.594 0.020 . 1 . . . A 50 ASN HA . 17481 1 587 . 1 1 50 50 ASN HB2 H 1 2.945 0.020 . 2 . . . A 50 ASN HB2 . 17481 1 588 . 1 1 50 50 ASN HB3 H 1 2.869 0.020 . 2 . . . A 50 ASN HB3 . 17481 1 589 . 1 1 50 50 ASN HD21 H 1 7.866 0.020 . 2 . . . A 50 ASN HD21 . 17481 1 590 . 1 1 50 50 ASN HD22 H 1 6.835 0.020 . 2 . . . A 50 ASN HD22 . 17481 1 591 . 1 1 50 50 ASN C C 13 172.408 0.300 . 1 . . . A 50 ASN C . 17481 1 592 . 1 1 50 50 ASN CA C 13 52.114 0.300 . 1 . . . A 50 ASN CA . 17481 1 593 . 1 1 50 50 ASN CB C 13 38.414 0.300 . 1 . . . A 50 ASN CB . 17481 1 594 . 1 1 50 50 ASN N N 15 129.051 0.300 . 1 . . . A 50 ASN N . 17481 1 595 . 1 1 50 50 ASN ND2 N 15 112.641 0.300 . 1 . . . A 50 ASN ND2 . 17481 1 596 . 1 1 51 51 ALA H H 1 7.746 0.020 . 1 . . . A 51 ALA H . 17481 1 597 . 1 1 51 51 ALA HA H 1 2.706 0.020 . 1 . . . A 51 ALA HA . 17481 1 598 . 1 1 51 51 ALA HB1 H 1 0.302 0.020 . 1 . . . A 51 ALA HB1 . 17481 1 599 . 1 1 51 51 ALA HB2 H 1 0.302 0.020 . 1 . . . A 51 ALA HB2 . 17481 1 600 . 1 1 51 51 ALA HB3 H 1 0.302 0.020 . 1 . . . A 51 ALA HB3 . 17481 1 601 . 1 1 51 51 ALA C C 13 173.639 0.300 . 1 . . . A 51 ALA C . 17481 1 602 . 1 1 51 51 ALA CA C 13 50.434 0.300 . 1 . . . A 51 ALA CA . 17481 1 603 . 1 1 51 51 ALA CB C 13 16.270 0.300 . 1 . . . A 51 ALA CB . 17481 1 604 . 1 1 51 51 ALA N N 15 127.474 0.300 . 1 . . . A 51 ALA N . 17481 1 605 . 1 1 52 52 THR H H 1 7.144 0.020 . 1 . . . A 52 THR H . 17481 1 606 . 1 1 52 52 THR HA H 1 4.139 0.020 . 1 . . . A 52 THR HA . 17481 1 607 . 1 1 52 52 THR HB H 1 3.926 0.020 . 1 . . . A 52 THR HB . 17481 1 608 . 1 1 52 52 THR HG21 H 1 0.953 0.020 . 1 . . . A 52 THR HG21 . 17481 1 609 . 1 1 52 52 THR HG22 H 1 0.953 0.020 . 1 . . . A 52 THR HG22 . 17481 1 610 . 1 1 52 52 THR HG23 H 1 0.953 0.020 . 1 . . . A 52 THR HG23 . 17481 1 611 . 1 1 52 52 THR C C 13 172.818 0.300 . 1 . . . A 52 THR C . 17481 1 612 . 1 1 52 52 THR CA C 13 59.078 0.300 . 1 . . . A 52 THR CA . 17481 1 613 . 1 1 52 52 THR CB C 13 71.445 0.300 . 1 . . . A 52 THR CB . 17481 1 614 . 1 1 52 52 THR CG2 C 13 20.380 0.300 . 1 . . . A 52 THR CG2 . 17481 1 615 . 1 1 52 52 THR N N 15 113.694 0.300 . 1 . . . A 52 THR N . 17481 1 616 . 1 1 53 53 LYS H H 1 8.717 0.020 . 1 . . . A 53 LYS H . 17481 1 617 . 1 1 53 53 LYS HA H 1 3.511 0.020 . 1 . . . A 53 LYS HA . 17481 1 618 . 1 1 53 53 LYS HB2 H 1 1.946 0.020 . 2 . . . A 53 LYS HB2 . 17481 1 619 . 1 1 53 53 LYS HB3 H 1 1.858 0.020 . 2 . . . A 53 LYS HB3 . 17481 1 620 . 1 1 53 53 LYS HG2 H 1 1.265 0.020 . 1 . . . A 53 LYS HG2 . 17481 1 621 . 1 1 53 53 LYS HG3 H 1 1.265 0.020 . 1 . . . A 53 LYS HG3 . 17481 1 622 . 1 1 53 53 LYS HD2 H 1 1.603 0.020 . 1 . . . A 53 LYS HD2 . 17481 1 623 . 1 1 53 53 LYS HD3 H 1 1.603 0.020 . 1 . . . A 53 LYS HD3 . 17481 1 624 . 1 1 53 53 LYS HE2 H 1 2.881 0.020 . 1 . . . A 53 LYS HE2 . 17481 1 625 . 1 1 53 53 LYS HE3 H 1 2.881 0.020 . 1 . . . A 53 LYS HE3 . 17481 1 626 . 1 1 53 53 LYS C C 13 177.623 0.300 . 1 . . . A 53 LYS C . 17481 1 627 . 1 1 53 53 LYS CA C 13 59.941 0.300 . 1 . . . A 53 LYS CA . 17481 1 628 . 1 1 53 53 LYS CB C 13 32.323 0.300 . 1 . . . A 53 LYS CB . 17481 1 629 . 1 1 53 53 LYS CG C 13 24.543 0.300 . 1 . . . A 53 LYS CG . 17481 1 630 . 1 1 53 53 LYS CD C 13 29.311 0.300 . 1 . . . A 53 LYS CD . 17481 1 631 . 1 1 53 53 LYS CE C 13 41.937 0.300 . 1 . . . A 53 LYS CE . 17481 1 632 . 1 1 53 53 LYS N N 15 124.436 0.300 . 1 . . . A 53 LYS N . 17481 1 633 . 1 1 54 54 GLY H H 1 8.278 0.020 . 1 . . . A 54 GLY H . 17481 1 634 . 1 1 54 54 GLY HA2 H 1 4.322 0.020 . 2 . . . A 54 GLY HA2 . 17481 1 635 . 1 1 54 54 GLY HA3 H 1 3.979 0.020 . 2 . . . A 54 GLY HA3 . 17481 1 636 . 1 1 54 54 GLY C C 13 174.693 0.300 . 1 . . . A 54 GLY C . 17481 1 637 . 1 1 54 54 GLY CA C 13 45.964 0.300 . 1 . . . A 54 GLY CA . 17481 1 638 . 1 1 54 54 GLY N N 15 116.939 0.300 . 1 . . . A 54 GLY N . 17481 1 639 . 1 1 55 55 GLY H H 1 8.849 0.020 . 1 . . . A 55 GLY H . 17481 1 640 . 1 1 55 55 GLY HA2 H 1 4.306 0.020 . 1 . . . A 55 GLY HA2 . 17481 1 641 . 1 1 55 55 GLY HA3 H 1 4.463 0.020 . 1 . . . A 55 GLY HA3 . 17481 1 642 . 1 1 55 55 GLY C C 13 173.287 0.300 . 1 . . . A 55 GLY C . 17481 1 643 . 1 1 55 55 GLY CA C 13 44.068 0.300 . 1 . . . A 55 GLY CA . 17481 1 644 . 1 1 55 55 GLY N N 15 110.569 0.300 . 1 . . . A 55 GLY N . 17481 1 645 . 1 1 56 56 SER H H 1 7.801 0.020 . 1 . . . A 56 SER H . 17481 1 646 . 1 1 56 56 SER HA H 1 5.728 0.020 . 1 . . . A 56 SER HA . 17481 1 647 . 1 1 56 56 SER HB2 H 1 3.970 0.020 . 1 . . . A 56 SER HB2 . 17481 1 648 . 1 1 56 56 SER HB3 H 1 3.970 0.020 . 1 . . . A 56 SER HB3 . 17481 1 649 . 1 1 56 56 SER C C 13 172.936 0.300 . 1 . . . A 56 SER C . 17481 1 650 . 1 1 56 56 SER CA C 13 57.070 0.300 . 1 . . . A 56 SER CA . 17481 1 651 . 1 1 56 56 SER CB C 13 66.506 0.300 . 1 . . . A 56 SER CB . 17481 1 652 . 1 1 56 56 SER N N 15 112.443 0.300 . 1 . . . A 56 SER N . 17481 1 653 . 1 1 57 57 ALA H H 1 9.239 0.020 . 1 . . . A 57 ALA H . 17481 1 654 . 1 1 57 57 ALA HA H 1 4.835 0.020 . 1 . . . A 57 ALA HA . 17481 1 655 . 1 1 57 57 ALA HB1 H 1 1.367 0.020 . 1 . . . A 57 ALA HB1 . 17481 1 656 . 1 1 57 57 ALA HB2 H 1 1.367 0.020 . 1 . . . A 57 ALA HB2 . 17481 1 657 . 1 1 57 57 ALA HB3 H 1 1.367 0.020 . 1 . . . A 57 ALA HB3 . 17481 1 658 . 1 1 57 57 ALA C C 13 175.045 0.300 . 1 . . . A 57 ALA C . 17481 1 659 . 1 1 57 57 ALA CA C 13 50.834 0.300 . 1 . . . A 57 ALA CA . 17481 1 660 . 1 1 57 57 ALA CB C 13 24.022 0.300 . 1 . . . A 57 ALA CB . 17481 1 661 . 1 1 57 57 ALA N N 15 122.324 0.300 . 1 . . . A 57 ALA N . 17481 1 662 . 1 1 58 58 PHE H H 1 8.897 0.020 . 1 . . . A 58 PHE H . 17481 1 663 . 1 1 58 58 PHE HA H 1 6.212 0.020 . 1 . . . A 58 PHE HA . 17481 1 664 . 1 1 58 58 PHE HB2 H 1 3.538 0.020 . 2 . . . A 58 PHE HB2 . 17481 1 665 . 1 1 58 58 PHE HB3 H 1 3.105 0.020 . 2 . . . A 58 PHE HB3 . 17481 1 666 . 1 1 58 58 PHE HD1 H 1 7.487 0.020 . 1 . . . A 58 PHE HD1 . 17481 1 667 . 1 1 58 58 PHE HD2 H 1 7.487 0.020 . 1 . . . A 58 PHE HD2 . 17481 1 668 . 1 1 58 58 PHE HE1 H 1 6.991 0.020 . 1 . . . A 58 PHE HE1 . 17481 1 669 . 1 1 58 58 PHE HE2 H 1 6.991 0.020 . 1 . . . A 58 PHE HE2 . 17481 1 670 . 1 1 58 58 PHE C C 13 174.225 0.300 . 1 . . . A 58 PHE C . 17481 1 671 . 1 1 58 58 PHE CA C 13 54.608 0.300 . 1 . . . A 58 PHE CA . 17481 1 672 . 1 1 58 58 PHE CB C 13 41.925 0.300 . 1 . . . A 58 PHE CB . 17481 1 673 . 1 1 58 58 PHE CD1 C 13 131.822 0.300 . 1 . . . A 58 PHE CD1 . 17481 1 674 . 1 1 58 58 PHE CE1 C 13 130.592 0.300 . 1 . . . A 58 PHE CE1 . 17481 1 675 . 1 1 58 58 PHE CZ C 13 129.276 0.300 . 1 . . . A 58 PHE CZ . 17481 1 676 . 1 1 58 58 PHE N N 15 120.968 0.300 . 1 . . . A 58 PHE N . 17481 1 677 . 1 1 59 59 TYR H H 1 8.876 0.020 . 1 . . . A 59 TYR H . 17481 1 678 . 1 1 59 59 TYR HA H 1 5.160 0.020 . 1 . . . A 59 TYR HA . 17481 1 679 . 1 1 59 59 TYR HB2 H 1 2.989 0.020 . 1 . . . A 59 TYR HB2 . 17481 1 680 . 1 1 59 59 TYR HB3 H 1 2.989 0.020 . 1 . . . A 59 TYR HB3 . 17481 1 681 . 1 1 59 59 TYR HD1 H 1 6.716 0.020 . 1 . . . A 59 TYR HD1 . 17481 1 682 . 1 1 59 59 TYR HD2 H 1 6.716 0.020 . 1 . . . A 59 TYR HD2 . 17481 1 683 . 1 1 59 59 TYR HE1 H 1 6.699 0.020 . 1 . . . A 59 TYR HE1 . 17481 1 684 . 1 1 59 59 TYR HE2 H 1 6.699 0.020 . 1 . . . A 59 TYR HE2 . 17481 1 685 . 1 1 59 59 TYR C C 13 170.943 0.300 . 1 . . . A 59 TYR C . 17481 1 686 . 1 1 59 59 TYR CA C 13 55.701 0.300 . 1 . . . A 59 TYR CA . 17481 1 687 . 1 1 59 59 TYR CB C 13 42.083 0.300 . 1 . . . A 59 TYR CB . 17481 1 688 . 1 1 59 59 TYR CD2 C 13 132.761 0.300 . 1 . . . A 59 TYR CD2 . 17481 1 689 . 1 1 59 59 TYR CE2 C 13 117.393 0.300 . 1 . . . A 59 TYR CE2 . 17481 1 690 . 1 1 59 59 TYR N N 15 125.648 0.300 . 1 . . . A 59 TYR N . 17481 1 691 . 1 1 60 60 ALA H H 1 8.999 0.020 . 1 . . . A 60 ALA H . 17481 1 692 . 1 1 60 60 ALA HA H 1 5.329 0.020 . 1 . . . A 60 ALA HA . 17481 1 693 . 1 1 60 60 ALA HB1 H 1 1.134 0.020 . 1 . . . A 60 ALA HB1 . 17481 1 694 . 1 1 60 60 ALA HB2 H 1 1.134 0.020 . 1 . . . A 60 ALA HB2 . 17481 1 695 . 1 1 60 60 ALA HB3 H 1 1.134 0.020 . 1 . . . A 60 ALA HB3 . 17481 1 696 . 1 1 60 60 ALA C C 13 176.861 0.300 . 1 . . . A 60 ALA C . 17481 1 697 . 1 1 60 60 ALA CA C 13 49.754 0.300 . 1 . . . A 60 ALA CA . 17481 1 698 . 1 1 60 60 ALA CB C 13 23.915 0.300 . 1 . . . A 60 ALA CB . 17481 1 699 . 1 1 60 60 ALA N N 15 121.024 0.300 . 1 . . . A 60 ALA N . 17481 1 700 . 1 1 61 61 ILE H H 1 8.725 0.020 . 1 . . . A 61 ILE H . 17481 1 701 . 1 1 61 61 ILE HA H 1 4.860 0.020 . 1 . . . A 61 ILE HA . 17481 1 702 . 1 1 61 61 ILE HB H 1 1.829 0.020 . 1 . . . A 61 ILE HB . 17481 1 703 . 1 1 61 61 ILE HG12 H 1 1.723 0.020 . 1 . . . A 61 ILE HG12 . 17481 1 704 . 1 1 61 61 ILE HG13 H 1 1.363 0.020 . 1 . . . A 61 ILE HG13 . 17481 1 705 . 1 1 61 61 ILE HG21 H 1 0.760 0.020 . 1 . . . A 61 ILE HG21 . 17481 1 706 . 1 1 61 61 ILE HG22 H 1 0.760 0.020 . 1 . . . A 61 ILE HG22 . 17481 1 707 . 1 1 61 61 ILE HG23 H 1 0.760 0.020 . 1 . . . A 61 ILE HG23 . 17481 1 708 . 1 1 61 61 ILE HD11 H 1 0.940 0.020 . 1 . . . A 61 ILE HD11 . 17481 1 709 . 1 1 61 61 ILE HD12 H 1 0.940 0.020 . 1 . . . A 61 ILE HD12 . 17481 1 710 . 1 1 61 61 ILE HD13 H 1 0.940 0.020 . 1 . . . A 61 ILE HD13 . 17481 1 711 . 1 1 61 61 ILE C C 13 175.455 0.300 . 1 . . . A 61 ILE C . 17481 1 712 . 1 1 61 61 ILE CA C 13 59.271 0.300 . 1 . . . A 61 ILE CA . 17481 1 713 . 1 1 61 61 ILE CB C 13 38.453 0.300 . 1 . . . A 61 ILE CB . 17481 1 714 . 1 1 61 61 ILE CG1 C 13 27.624 0.300 . 1 . . . A 61 ILE CG1 . 17481 1 715 . 1 1 61 61 ILE CG2 C 13 18.043 0.300 . 1 . . . A 61 ILE CG2 . 17481 1 716 . 1 1 61 61 ILE CD1 C 13 12.838 0.300 . 1 . . . A 61 ILE CD1 . 17481 1 717 . 1 1 61 61 ILE N N 15 121.925 0.300 . 1 . . . A 61 ILE N . 17481 1 718 . 1 1 62 62 GLN H H 1 8.821 0.020 . 1 . . . A 62 GLN H . 17481 1 719 . 1 1 62 62 GLN HA H 1 4.744 0.020 . 1 . . . A 62 GLN HA . 17481 1 720 . 1 1 62 62 GLN HB2 H 1 1.824 0.020 . 1 . . . A 62 GLN HB2 . 17481 1 721 . 1 1 62 62 GLN HB3 H 1 1.982 0.020 . 1 . . . A 62 GLN HB3 . 17481 1 722 . 1 1 62 62 GLN HG2 H 1 2.138 0.020 . 2 . . . A 62 GLN HG2 . 17481 1 723 . 1 1 62 62 GLN HG3 H 1 2.072 0.020 . 2 . . . A 62 GLN HG3 . 17481 1 724 . 1 1 62 62 GLN HE21 H 1 7.356 0.020 . 2 . . . A 62 GLN HE21 . 17481 1 725 . 1 1 62 62 GLN HE22 H 1 6.725 0.020 . 2 . . . A 62 GLN HE22 . 17481 1 726 . 1 1 62 62 GLN C C 13 173.463 0.300 . 1 . . . A 62 GLN C . 17481 1 727 . 1 1 62 62 GLN CA C 13 54.896 0.300 . 1 . . . A 62 GLN CA . 17481 1 728 . 1 1 62 62 GLN CB C 13 29.936 0.300 . 1 . . . A 62 GLN CB . 17481 1 729 . 1 1 62 62 GLN CG C 13 34.090 0.300 . 1 . . . A 62 GLN CG . 17481 1 730 . 1 1 62 62 GLN N N 15 127.574 0.300 . 1 . . . A 62 GLN N . 17481 1 731 . 1 1 62 62 GLN NE2 N 15 111.620 0.300 . 1 . . . A 62 GLN NE2 . 17481 1 732 . 1 1 63 63 ALA H H 1 8.698 0.020 . 1 . . . A 63 ALA H . 17481 1 733 . 1 1 63 63 ALA HA H 1 4.840 0.020 . 1 . . . A 63 ALA HA . 17481 1 734 . 1 1 63 63 ALA HB1 H 1 1.501 0.020 . 1 . . . A 63 ALA HB1 . 17481 1 735 . 1 1 63 63 ALA HB2 H 1 1.501 0.020 . 1 . . . A 63 ALA HB2 . 17481 1 736 . 1 1 63 63 ALA HB3 H 1 1.501 0.020 . 1 . . . A 63 ALA HB3 . 17481 1 737 . 1 1 63 63 ALA CA C 13 49.896 0.300 . 1 . . . A 63 ALA CA . 17481 1 738 . 1 1 63 63 ALA CB C 13 19.789 0.300 . 1 . . . A 63 ALA CB . 17481 1 739 . 1 1 63 63 ALA N N 15 131.193 0.300 . 1 . . . A 63 ALA N . 17481 1 740 . 1 1 64 64 PRO HA H 1 4.205 0.020 . 1 . . . A 64 PRO HA . 17481 1 741 . 1 1 64 64 PRO HB2 H 1 2.370 0.020 . 2 . . . A 64 PRO HB2 . 17481 1 742 . 1 1 64 64 PRO HB3 H 1 1.858 0.020 . 2 . . . A 64 PRO HB3 . 17481 1 743 . 1 1 64 64 PRO HG2 H 1 2.000 0.020 . 1 . . . A 64 PRO HG2 . 17481 1 744 . 1 1 64 64 PRO HG3 H 1 2.200 0.020 . 1 . . . A 64 PRO HG3 . 17481 1 745 . 1 1 64 64 PRO HD2 H 1 3.841 0.020 . 2 . . . A 64 PRO HD2 . 17481 1 746 . 1 1 64 64 PRO HD3 H 1 3.697 0.020 . 2 . . . A 64 PRO HD3 . 17481 1 747 . 1 1 64 64 PRO C C 13 177.858 0.300 . 1 . . . A 64 PRO C . 17481 1 748 . 1 1 64 64 PRO CA C 13 66.258 0.300 . 1 . . . A 64 PRO CA . 17481 1 749 . 1 1 64 64 PRO CB C 13 31.775 0.300 . 1 . . . A 64 PRO CB . 17481 1 750 . 1 1 64 64 PRO CG C 13 28.275 0.300 . 1 . . . A 64 PRO CG . 17481 1 751 . 1 1 64 64 PRO CD C 13 50.502 0.300 . 1 . . . A 64 PRO CD . 17481 1 752 . 1 1 65 65 GLN H H 1 8.500 0.020 . 1 . . . A 65 GLN H . 17481 1 753 . 1 1 65 65 GLN HA H 1 4.353 0.020 . 1 . . . A 65 GLN HA . 17481 1 754 . 1 1 65 65 GLN HB2 H 1 2.294 0.020 . 2 . . . A 65 GLN HB2 . 17481 1 755 . 1 1 65 65 GLN HB3 H 1 2.049 0.020 . 2 . . . A 65 GLN HB3 . 17481 1 756 . 1 1 65 65 GLN HG2 H 1 2.511 0.020 . 2 . . . A 65 GLN HG2 . 17481 1 757 . 1 1 65 65 GLN HG3 H 1 2.444 0.020 . 2 . . . A 65 GLN HG3 . 17481 1 758 . 1 1 65 65 GLN HE21 H 1 7.469 0.020 . 2 . . . A 65 GLN HE21 . 17481 1 759 . 1 1 65 65 GLN HE22 H 1 6.904 0.020 . 2 . . . A 65 GLN HE22 . 17481 1 760 . 1 1 65 65 GLN C C 13 175.397 0.300 . 1 . . . A 65 GLN C . 17481 1 761 . 1 1 65 65 GLN CA C 13 55.834 0.300 . 1 . . . A 65 GLN CA . 17481 1 762 . 1 1 65 65 GLN CB C 13 28.840 0.300 . 1 . . . A 65 GLN CB . 17481 1 763 . 1 1 65 65 GLN CG C 13 34.191 0.300 . 1 . . . A 65 GLN CG . 17481 1 764 . 1 1 65 65 GLN N N 15 112.376 0.300 . 1 . . . A 65 GLN N . 17481 1 765 . 1 1 65 65 GLN NE2 N 15 111.766 0.300 . 1 . . . A 65 GLN NE2 . 17481 1 766 . 1 1 66 66 MET H H 1 7.475 0.020 . 1 . . . A 66 MET H . 17481 1 767 . 1 1 66 66 MET HA H 1 4.702 0.020 . 1 . . . A 66 MET HA . 17481 1 768 . 1 1 66 66 MET HB2 H 1 1.999 0.020 . 1 . . . A 66 MET HB2 . 17481 1 769 . 1 1 66 66 MET HB3 H 1 1.999 0.020 . 1 . . . A 66 MET HB3 . 17481 1 770 . 1 1 66 66 MET HG2 H 1 2.418 0.020 . 1 . . . A 66 MET HG2 . 17481 1 771 . 1 1 66 66 MET HG3 H 1 2.418 0.020 . 1 . . . A 66 MET HG3 . 17481 1 772 . 1 1 66 66 MET HE1 H 1 2.051 0.020 . 1 . . . A 66 MET HE1 . 17481 1 773 . 1 1 66 66 MET HE2 H 1 2.051 0.020 . 1 . . . A 66 MET HE2 . 17481 1 774 . 1 1 66 66 MET HE3 H 1 2.051 0.020 . 1 . . . A 66 MET HE3 . 17481 1 775 . 1 1 66 66 MET C C 13 172.936 0.300 . 1 . . . A 66 MET C . 17481 1 776 . 1 1 66 66 MET CA C 13 55.834 0.300 . 1 . . . A 66 MET CA . 17481 1 777 . 1 1 66 66 MET CB C 13 35.296 0.300 . 1 . . . A 66 MET CB . 17481 1 778 . 1 1 66 66 MET CG C 13 31.069 0.300 . 1 . . . A 66 MET CG . 17481 1 779 . 1 1 66 66 MET CE C 13 17.177 0.300 . 1 . . . A 66 MET CE . 17481 1 780 . 1 1 66 66 MET N N 15 117.379 0.300 . 1 . . . A 66 MET N . 17481 1 781 . 1 1 67 67 ILE H H 1 8.330 0.020 . 1 . . . A 67 ILE H . 17481 1 782 . 1 1 67 67 ILE HA H 1 5.018 0.020 . 1 . . . A 67 ILE HA . 17481 1 783 . 1 1 67 67 ILE HB H 1 1.675 0.020 . 1 . . . A 67 ILE HB . 17481 1 784 . 1 1 67 67 ILE HG12 H 1 1.445 0.020 . 1 . . . A 67 ILE HG12 . 17481 1 785 . 1 1 67 67 ILE HG13 H 1 1.445 0.020 . 1 . . . A 67 ILE HG13 . 17481 1 786 . 1 1 67 67 ILE HG21 H 1 0.690 0.020 . 1 . . . A 67 ILE HG21 . 17481 1 787 . 1 1 67 67 ILE HG22 H 1 0.690 0.020 . 1 . . . A 67 ILE HG22 . 17481 1 788 . 1 1 67 67 ILE HG23 H 1 0.690 0.020 . 1 . . . A 67 ILE HG23 . 17481 1 789 . 1 1 67 67 ILE HD11 H 1 0.834 0.020 . 1 . . . A 67 ILE HD11 . 17481 1 790 . 1 1 67 67 ILE HD12 H 1 0.834 0.020 . 1 . . . A 67 ILE HD12 . 17481 1 791 . 1 1 67 67 ILE HD13 H 1 0.834 0.020 . 1 . . . A 67 ILE HD13 . 17481 1 792 . 1 1 67 67 ILE C C 13 174.283 0.300 . 1 . . . A 67 ILE C . 17481 1 793 . 1 1 67 67 ILE CA C 13 60.209 0.300 . 1 . . . A 67 ILE CA . 17481 1 794 . 1 1 67 67 ILE CB C 13 40.652 0.300 . 1 . . . A 67 ILE CB . 17481 1 795 . 1 1 67 67 ILE CG1 C 13 28.850 0.300 . 1 . . . A 67 ILE CG1 . 17481 1 796 . 1 1 67 67 ILE CG2 C 13 16.674 0.300 . 1 . . . A 67 ILE CG2 . 17481 1 797 . 1 1 67 67 ILE CD1 C 13 13.989 0.300 . 1 . . . A 67 ILE CD1 . 17481 1 798 . 1 1 67 67 ILE N N 15 124.019 0.300 . 1 . . . A 67 ILE N . 17481 1 799 . 1 1 68 68 SER H H 1 8.537 0.020 . 1 . . . A 68 SER H . 17481 1 800 . 1 1 68 68 SER HA H 1 4.785 0.020 . 1 . . . A 68 SER HA . 17481 1 801 . 1 1 68 68 SER HB2 H 1 3.812 0.020 . 1 . . . A 68 SER HB2 . 17481 1 802 . 1 1 68 68 SER HB3 H 1 3.812 0.020 . 1 . . . A 68 SER HB3 . 17481 1 803 . 1 1 68 68 SER C C 13 172.350 0.300 . 1 . . . A 68 SER C . 17481 1 804 . 1 1 68 68 SER CA C 13 56.459 0.300 . 1 . . . A 68 SER CA . 17481 1 805 . 1 1 68 68 SER CB C 13 65.640 0.300 . 1 . . . A 68 SER CB . 17481 1 806 . 1 1 68 68 SER N N 15 121.891 0.300 . 1 . . . A 68 SER N . 17481 1 807 . 1 1 69 69 TYR H H 1 8.967 0.020 . 1 . . . A 69 TYR H . 17481 1 808 . 1 1 69 69 TYR HA H 1 5.203 0.020 . 1 . . . A 69 TYR HA . 17481 1 809 . 1 1 69 69 TYR HB2 H 1 2.947 0.020 . 1 . . . A 69 TYR HB2 . 17481 1 810 . 1 1 69 69 TYR HB3 H 1 2.867 0.020 . 1 . . . A 69 TYR HB3 . 17481 1 811 . 1 1 69 69 TYR HD1 H 1 7.056 0.020 . 1 . . . A 69 TYR HD1 . 17481 1 812 . 1 1 69 69 TYR HD2 H 1 7.056 0.020 . 1 . . . A 69 TYR HD2 . 17481 1 813 . 1 1 69 69 TYR HE1 H 1 6.809 0.020 . 1 . . . A 69 TYR HE1 . 17481 1 814 . 1 1 69 69 TYR HE2 H 1 6.809 0.020 . 1 . . . A 69 TYR HE2 . 17481 1 815 . 1 1 69 69 TYR C C 13 175.338 0.300 . 1 . . . A 69 TYR C . 17481 1 816 . 1 1 69 69 TYR CA C 13 57.682 0.300 . 1 . . . A 69 TYR CA . 17481 1 817 . 1 1 69 69 TYR CB C 13 40.902 0.300 . 1 . . . A 69 TYR CB . 17481 1 818 . 1 1 69 69 TYR CD1 C 13 133.264 0.300 . 1 . . . A 69 TYR CD1 . 17481 1 819 . 1 1 69 69 TYR CE1 C 13 117.984 0.300 . 1 . . . A 69 TYR CE1 . 17481 1 820 . 1 1 69 69 TYR N N 15 123.601 0.300 . 1 . . . A 69 TYR N . 17481 1 821 . 1 1 70 70 THR H H 1 8.972 0.020 . 1 . . . A 70 THR H . 17481 1 822 . 1 1 70 70 THR HA H 1 4.993 0.020 . 1 . . . A 70 THR HA . 17481 1 823 . 1 1 70 70 THR HB H 1 2.549 0.020 . 1 . . . A 70 THR HB . 17481 1 824 . 1 1 70 70 THR HG21 H 1 1.025 0.020 . 1 . . . A 70 THR HG21 . 17481 1 825 . 1 1 70 70 THR HG22 H 1 1.025 0.020 . 1 . . . A 70 THR HG22 . 17481 1 826 . 1 1 70 70 THR HG23 H 1 1.025 0.020 . 1 . . . A 70 THR HG23 . 17481 1 827 . 1 1 70 70 THR C C 13 173.170 0.300 . 1 . . . A 70 THR C . 17481 1 828 . 1 1 70 70 THR CA C 13 62.111 0.300 . 1 . . . A 70 THR CA . 17481 1 829 . 1 1 70 70 THR CB C 13 73.407 0.300 . 1 . . . A 70 THR CB . 17481 1 830 . 1 1 70 70 THR CG2 C 13 21.547 0.300 . 1 . . . A 70 THR CG2 . 17481 1 831 . 1 1 70 70 THR N N 15 121.569 0.300 . 1 . . . A 70 THR N . 17481 1 832 . 1 1 71 71 ILE H H 1 8.533 0.020 . 1 . . . A 71 ILE H . 17481 1 833 . 1 1 71 71 ILE HA H 1 5.251 0.020 . 1 . . . A 71 ILE HA . 17481 1 834 . 1 1 71 71 ILE HB H 1 1.392 0.020 . 1 . . . A 71 ILE HB . 17481 1 835 . 1 1 71 71 ILE HG12 H 1 1.032 0.020 . 1 . . . A 71 ILE HG12 . 17481 1 836 . 1 1 71 71 ILE HG13 H 1 1.032 0.020 . 1 . . . A 71 ILE HG13 . 17481 1 837 . 1 1 71 71 ILE HG21 H 1 0.853 0.020 . 1 . . . A 71 ILE HG21 . 17481 1 838 . 1 1 71 71 ILE HG22 H 1 0.853 0.020 . 1 . . . A 71 ILE HG22 . 17481 1 839 . 1 1 71 71 ILE HG23 H 1 0.853 0.020 . 1 . . . A 71 ILE HG23 . 17481 1 840 . 1 1 71 71 ILE HD11 H 1 0.421 0.020 . 1 . . . A 71 ILE HD11 . 17481 1 841 . 1 1 71 71 ILE HD12 H 1 0.421 0.020 . 1 . . . A 71 ILE HD12 . 17481 1 842 . 1 1 71 71 ILE HD13 H 1 0.421 0.020 . 1 . . . A 71 ILE HD13 . 17481 1 843 . 1 1 71 71 ILE C C 13 173.580 0.300 . 1 . . . A 71 ILE C . 17481 1 844 . 1 1 71 71 ILE CA C 13 59.330 0.300 . 1 . . . A 71 ILE CA . 17481 1 845 . 1 1 71 71 ILE CB C 13 42.389 0.300 . 1 . . . A 71 ILE CB . 17481 1 846 . 1 1 71 71 ILE CG1 C 13 28.726 0.300 . 1 . . . A 71 ILE CG1 . 17481 1 847 . 1 1 71 71 ILE CG2 C 13 17.020 0.300 . 1 . . . A 71 ILE CG2 . 17481 1 848 . 1 1 71 71 ILE CD1 C 13 14.005 0.300 . 1 . . . A 71 ILE CD1 . 17481 1 849 . 1 1 71 71 ILE N N 15 124.806 0.300 . 1 . . . A 71 ILE N . 17481 1 850 . 1 1 72 72 ALA H H 1 9.040 0.020 . 1 . . . A 72 ALA H . 17481 1 851 . 1 1 72 72 ALA HA H 1 5.954 0.020 . 1 . . . A 72 ALA HA . 17481 1 852 . 1 1 72 72 ALA HB1 H 1 0.959 0.020 . 1 . . . A 72 ALA HB1 . 17481 1 853 . 1 1 72 72 ALA HB2 H 1 0.959 0.020 . 1 . . . A 72 ALA HB2 . 17481 1 854 . 1 1 72 72 ALA HB3 H 1 0.959 0.020 . 1 . . . A 72 ALA HB3 . 17481 1 855 . 1 1 72 72 ALA C C 13 177.330 0.300 . 1 . . . A 72 ALA C . 17481 1 856 . 1 1 72 72 ALA CA C 13 49.048 0.300 . 1 . . . A 72 ALA CA . 17481 1 857 . 1 1 72 72 ALA CB C 13 21.994 0.300 . 1 . . . A 72 ALA CB . 17481 1 858 . 1 1 72 72 ALA N N 15 130.380 0.300 . 1 . . . A 72 ALA N . 17481 1 859 . 1 1 73 73 GLU H H 1 9.205 0.020 . 1 . . . A 73 GLU H . 17481 1 860 . 1 1 73 73 GLU HA H 1 4.744 0.020 . 1 . . . A 73 GLU HA . 17481 1 861 . 1 1 73 73 GLU HB2 H 1 2.036 0.020 . 1 . . . A 73 GLU HB2 . 17481 1 862 . 1 1 73 73 GLU HB3 H 1 2.126 0.020 . 1 . . . A 73 GLU HB3 . 17481 1 863 . 1 1 73 73 GLU HG2 H 1 2.176 0.020 . 1 . . . A 73 GLU HG2 . 17481 1 864 . 1 1 73 73 GLU HG3 H 1 2.297 0.020 . 1 . . . A 73 GLU HG3 . 17481 1 865 . 1 1 73 73 GLU C C 13 175.748 0.300 . 1 . . . A 73 GLU C . 17481 1 866 . 1 1 73 73 GLU CA C 13 54.584 0.300 . 1 . . . A 73 GLU CA . 17481 1 867 . 1 1 73 73 GLU CB C 13 32.246 0.300 . 1 . . . A 73 GLU CB . 17481 1 868 . 1 1 73 73 GLU CG C 13 36.181 0.300 . 1 . . . A 73 GLU CG . 17481 1 869 . 1 1 73 73 GLU N N 15 121.022 0.300 . 1 . . . A 73 GLU N . 17481 1 870 . 1 1 74 74 TYR H H 1 8.254 0.020 . 1 . . . A 74 TYR H . 17481 1 871 . 1 1 74 74 TYR HA H 1 4.253 0.020 . 1 . . . A 74 TYR HA . 17481 1 872 . 1 1 74 74 TYR HB2 H 1 2.993 0.020 . 1 . . . A 74 TYR HB2 . 17481 1 873 . 1 1 74 74 TYR HB3 H 1 2.266 0.020 . 1 . . . A 74 TYR HB3 . 17481 1 874 . 1 1 74 74 TYR HD1 H 1 6.484 0.020 . 1 . . . A 74 TYR HD1 . 17481 1 875 . 1 1 74 74 TYR HD2 H 1 6.484 0.020 . 1 . . . A 74 TYR HD2 . 17481 1 876 . 1 1 74 74 TYR HE1 H 1 5.906 0.020 . 1 . . . A 74 TYR HE1 . 17481 1 877 . 1 1 74 74 TYR HE2 H 1 5.906 0.020 . 1 . . . A 74 TYR HE2 . 17481 1 878 . 1 1 74 74 TYR C C 13 176.393 0.300 . 1 . . . A 74 TYR C . 17481 1 879 . 1 1 74 74 TYR CA C 13 59.924 0.300 . 1 . . . A 74 TYR CA . 17481 1 880 . 1 1 74 74 TYR CB C 13 39.648 0.300 . 1 . . . A 74 TYR CB . 17481 1 881 . 1 1 74 74 TYR CD1 C 13 131.984 0.300 . 1 . . . A 74 TYR CD1 . 17481 1 882 . 1 1 74 74 TYR CE1 C 13 116.811 0.300 . 1 . . . A 74 TYR CE1 . 17481 1 883 . 1 1 74 74 TYR N N 15 122.074 0.300 . 1 . . . A 74 TYR N . 17481 1 884 . 1 1 75 75 LEU H H 1 9.279 0.020 . 1 . . . A 75 LEU H . 17481 1 885 . 1 1 75 75 LEU HA H 1 4.549 0.020 . 1 . . . A 75 LEU HA . 17481 1 886 . 1 1 75 75 LEU HB2 H 1 1.668 0.020 . 2 . . . A 75 LEU HB2 . 17481 1 887 . 1 1 75 75 LEU HB3 H 1 1.560 0.020 . 2 . . . A 75 LEU HB3 . 17481 1 888 . 1 1 75 75 LEU HG H 1 1.720 0.020 . 1 . . . A 75 LEU HG . 17481 1 889 . 1 1 75 75 LEU C C 13 177.740 0.300 . 1 . . . A 75 LEU C . 17481 1 890 . 1 1 75 75 LEU CA C 13 55.756 0.300 . 1 . . . A 75 LEU CA . 17481 1 891 . 1 1 75 75 LEU CB C 13 42.951 0.300 . 1 . . . A 75 LEU CB . 17481 1 892 . 1 1 75 75 LEU CG C 13 29.089 0.300 . 1 . . . A 75 LEU CG . 17481 1 893 . 1 1 75 75 LEU N N 15 127.754 0.300 . 1 . . . A 75 LEU N . 17481 1 894 . 1 1 76 76 GLN H H 1 7.990 0.020 . 1 . . . A 76 GLN H . 17481 1 895 . 1 1 76 76 GLN HA H 1 4.594 0.020 . 1 . . . A 76 GLN HA . 17481 1 896 . 1 1 76 76 GLN HB2 H 1 2.290 0.020 . 1 . . . A 76 GLN HB2 . 17481 1 897 . 1 1 76 76 GLN HB3 H 1 2.103 0.020 . 1 . . . A 76 GLN HB3 . 17481 1 898 . 1 1 76 76 GLN HG2 H 1 1.983 0.020 . 2 . . . A 76 GLN HG2 . 17481 1 899 . 1 1 76 76 GLN HG3 H 1 1.862 0.020 . 2 . . . A 76 GLN HG3 . 17481 1 900 . 1 1 76 76 GLN HE21 H 1 7.414 0.020 . 2 . . . A 76 GLN HE21 . 17481 1 901 . 1 1 76 76 GLN HE22 H 1 6.978 0.020 . 2 . . . A 76 GLN HE22 . 17481 1 902 . 1 1 76 76 GLN C C 13 174.811 0.300 . 1 . . . A 76 GLN C . 17481 1 903 . 1 1 76 76 GLN CA C 13 55.834 0.300 . 1 . . . A 76 GLN CA . 17481 1 904 . 1 1 76 76 GLN CB C 13 32.346 0.300 . 1 . . . A 76 GLN CB . 17481 1 905 . 1 1 76 76 GLN CG C 13 33.470 0.300 . 1 . . . A 76 GLN CG . 17481 1 906 . 1 1 76 76 GLN N N 15 114.500 0.300 . 1 . . . A 76 GLN N . 17481 1 907 . 1 1 76 76 GLN NE2 N 15 110.250 0.300 . 1 . . . A 76 GLN NE2 . 17481 1 908 . 1 1 77 77 VAL H H 1 8.808 0.020 . 1 . . . A 77 VAL H . 17481 1 909 . 1 1 77 77 VAL HA H 1 4.557 0.020 . 1 . . . A 77 VAL HA . 17481 1 910 . 1 1 77 77 VAL HB H 1 2.091 0.020 . 1 . . . A 77 VAL HB . 17481 1 911 . 1 1 77 77 VAL HG11 H 1 1.043 0.020 . 1 . . . A 77 VAL HG11 . 17481 1 912 . 1 1 77 77 VAL HG12 H 1 1.043 0.020 . 1 . . . A 77 VAL HG12 . 17481 1 913 . 1 1 77 77 VAL HG13 H 1 1.043 0.020 . 1 . . . A 77 VAL HG13 . 17481 1 914 . 1 1 77 77 VAL HG21 H 1 0.596 0.020 . 1 . . . A 77 VAL HG21 . 17481 1 915 . 1 1 77 77 VAL HG22 H 1 0.596 0.020 . 1 . . . A 77 VAL HG22 . 17481 1 916 . 1 1 77 77 VAL HG23 H 1 0.596 0.020 . 1 . . . A 77 VAL HG23 . 17481 1 917 . 1 1 77 77 VAL C C 13 173.639 0.300 . 1 . . . A 77 VAL C . 17481 1 918 . 1 1 77 77 VAL CA C 13 63.641 0.300 . 1 . . . A 77 VAL CA . 17481 1 919 . 1 1 77 77 VAL CB C 13 35.609 0.300 . 1 . . . A 77 VAL CB . 17481 1 920 . 1 1 77 77 VAL CG1 C 13 21.491 0.300 . 1 . . . A 77 VAL CG1 . 17481 1 921 . 1 1 77 77 VAL CG2 C 13 21.086 0.300 . 1 . . . A 77 VAL CG2 . 17481 1 922 . 1 1 77 77 VAL N N 15 124.107 0.300 . 1 . . . A 77 VAL N . 17481 1 923 . 1 1 78 78 ASP H H 1 9.562 0.020 . 1 . . . A 78 ASP H . 17481 1 924 . 1 1 78 78 ASP HA H 1 5.243 0.020 . 1 . . . A 78 ASP HA . 17481 1 925 . 1 1 78 78 ASP HB2 H 1 2.872 0.020 . 2 . . . A 78 ASP HB2 . 17481 1 926 . 1 1 78 78 ASP HB3 H 1 2.755 0.020 . 2 . . . A 78 ASP HB3 . 17481 1 927 . 1 1 78 78 ASP C C 13 174.518 0.300 . 1 . . . A 78 ASP C . 17481 1 928 . 1 1 78 78 ASP CA C 13 52.435 0.300 . 1 . . . A 78 ASP CA . 17481 1 929 . 1 1 78 78 ASP CB C 13 42.459 0.300 . 1 . . . A 78 ASP CB . 17481 1 930 . 1 1 78 78 ASP N N 15 130.578 0.300 . 1 . . . A 78 ASP N . 17481 1 931 . 1 1 79 79 ALA H H 1 8.828 0.020 . 1 . . . A 79 ALA H . 17481 1 932 . 1 1 79 79 ALA HA H 1 3.314 0.020 . 1 . . . A 79 ALA HA . 17481 1 933 . 1 1 79 79 ALA HB1 H 1 0.978 0.020 . 1 . . . A 79 ALA HB1 . 17481 1 934 . 1 1 79 79 ALA HB2 H 1 0.978 0.020 . 1 . . . A 79 ALA HB2 . 17481 1 935 . 1 1 79 79 ALA HB3 H 1 0.978 0.020 . 1 . . . A 79 ALA HB3 . 17481 1 936 . 1 1 79 79 ALA CA C 13 50.720 0.300 . 1 . . . A 79 ALA CA . 17481 1 937 . 1 1 79 79 ALA CB C 13 19.583 0.300 . 1 . . . A 79 ALA CB . 17481 1 938 . 1 1 79 79 ALA N N 15 127.370 0.300 . 1 . . . A 79 ALA N . 17481 1 939 . 1 1 80 80 PRO HA H 1 2.024 0.020 . 1 . . . A 80 PRO HA . 17481 1 940 . 1 1 80 80 PRO HB2 H 1 1.075 0.020 . 1 . . . A 80 PRO HB2 . 17481 1 941 . 1 1 80 80 PRO HB3 H 1 1.853 0.020 . 1 . . . A 80 PRO HB3 . 17481 1 942 . 1 1 80 80 PRO HG2 H 1 2.216 0.020 . 1 . . . A 80 PRO HG2 . 17481 1 943 . 1 1 80 80 PRO HG3 H 1 2.216 0.020 . 1 . . . A 80 PRO HG3 . 17481 1 944 . 1 1 80 80 PRO HD2 H 1 4.023 0.020 . 1 . . . A 80 PRO HD2 . 17481 1 945 . 1 1 80 80 PRO HD3 H 1 3.892 0.020 . 1 . . . A 80 PRO HD3 . 17481 1 946 . 1 1 80 80 PRO C C 13 170.885 0.300 . 1 . . . A 80 PRO C . 17481 1 947 . 1 1 80 80 PRO CA C 13 63.507 0.300 . 1 . . . A 80 PRO CA . 17481 1 948 . 1 1 80 80 PRO CB C 13 30.305 0.300 . 1 . . . A 80 PRO CB . 17481 1 949 . 1 1 80 80 PRO CG C 13 28.320 0.300 . 1 . . . A 80 PRO CG . 17481 1 950 . 1 1 80 80 PRO CD C 13 50.892 0.300 . 1 . . . A 80 PRO CD . 17481 1 951 . 1 1 81 81 TYR H H 1 7.575 0.020 . 1 . . . A 81 TYR H . 17481 1 952 . 1 1 81 81 TYR HA H 1 5.234 0.020 . 1 . . . A 81 TYR HA . 17481 1 953 . 1 1 81 81 TYR HB2 H 1 2.947 0.020 . 1 . . . A 81 TYR HB2 . 17481 1 954 . 1 1 81 81 TYR HB3 H 1 2.947 0.020 . 1 . . . A 81 TYR HB3 . 17481 1 955 . 1 1 81 81 TYR HD1 H 1 7.118 0.020 . 1 . . . A 81 TYR HD1 . 17481 1 956 . 1 1 81 81 TYR HD2 H 1 7.118 0.020 . 1 . . . A 81 TYR HD2 . 17481 1 957 . 1 1 81 81 TYR HE1 H 1 6.739 0.020 . 1 . . . A 81 TYR HE1 . 17481 1 958 . 1 1 81 81 TYR HE2 H 1 6.739 0.020 . 1 . . . A 81 TYR HE2 . 17481 1 959 . 1 1 81 81 TYR C C 13 178.268 0.300 . 1 . . . A 81 TYR C . 17481 1 960 . 1 1 81 81 TYR CA C 13 59.390 0.300 . 1 . . . A 81 TYR CA . 17481 1 961 . 1 1 81 81 TYR CB C 13 42.083 0.300 . 1 . . . A 81 TYR CB . 17481 1 962 . 1 1 81 81 TYR CD1 C 13 132.870 0.300 . 1 . . . A 81 TYR CD1 . 17481 1 963 . 1 1 81 81 TYR CE1 C 13 118.409 0.300 . 1 . . . A 81 TYR CE1 . 17481 1 964 . 1 1 81 81 TYR N N 15 113.040 0.300 . 1 . . . A 81 TYR N . 17481 1 965 . 1 1 82 82 TYR H H 1 8.375 0.020 . 1 . . . A 82 TYR H . 17481 1 966 . 1 1 82 82 TYR HA H 1 6.124 0.020 . 1 . . . A 82 TYR HA . 17481 1 967 . 1 1 82 82 TYR HB2 H 1 3.238 0.020 . 2 . . . A 82 TYR HB2 . 17481 1 968 . 1 1 82 82 TYR HB3 H 1 2.897 0.020 . 2 . . . A 82 TYR HB3 . 17481 1 969 . 1 1 82 82 TYR HD1 H 1 7.204 0.020 . 1 . . . A 82 TYR HD1 . 17481 1 970 . 1 1 82 82 TYR HD2 H 1 7.204 0.020 . 1 . . . A 82 TYR HD2 . 17481 1 971 . 1 1 82 82 TYR HE1 H 1 6.745 0.020 . 1 . . . A 82 TYR HE1 . 17481 1 972 . 1 1 82 82 TYR HE2 H 1 6.745 0.020 . 1 . . . A 82 TYR HE2 . 17481 1 973 . 1 1 82 82 TYR C C 13 173.639 0.300 . 1 . . . A 82 TYR C . 17481 1 974 . 1 1 82 82 TYR CA C 13 58.265 0.300 . 1 . . . A 82 TYR CA . 17481 1 975 . 1 1 82 82 TYR CB C 13 43.765 0.300 . 1 . . . A 82 TYR CB . 17481 1 976 . 1 1 82 82 TYR CD1 C 13 132.804 0.300 . 1 . . . A 82 TYR CD1 . 17481 1 977 . 1 1 82 82 TYR CE1 C 13 118.006 0.300 . 1 . . . A 82 TYR CE1 . 17481 1 978 . 1 1 82 82 TYR N N 15 123.692 0.300 . 1 . . . A 82 TYR N . 17481 1 979 . 1 1 83 83 ILE H H 1 8.616 0.020 . 1 . . . A 83 ILE H . 17481 1 980 . 1 1 83 83 ILE HA H 1 4.569 0.020 . 1 . . . A 83 ILE HA . 17481 1 981 . 1 1 83 83 ILE HB H 1 1.686 0.020 . 1 . . . A 83 ILE HB . 17481 1 982 . 1 1 83 83 ILE HG12 H 1 1.862 0.020 . 2 . . . A 83 ILE HG12 . 17481 1 983 . 1 1 83 83 ILE HG13 H 1 0.968 0.020 . 2 . . . A 83 ILE HG13 . 17481 1 984 . 1 1 83 83 ILE HG21 H 1 1.131 0.020 . 1 . . . A 83 ILE HG21 . 17481 1 985 . 1 1 83 83 ILE HG22 H 1 1.131 0.020 . 1 . . . A 83 ILE HG22 . 17481 1 986 . 1 1 83 83 ILE HG23 H 1 1.131 0.020 . 1 . . . A 83 ILE HG23 . 17481 1 987 . 1 1 83 83 ILE HD11 H 1 0.419 0.020 . 1 . . . A 83 ILE HD11 . 17481 1 988 . 1 1 83 83 ILE HD12 H 1 0.419 0.020 . 1 . . . A 83 ILE HD12 . 17481 1 989 . 1 1 83 83 ILE HD13 H 1 0.419 0.020 . 1 . . . A 83 ILE HD13 . 17481 1 990 . 1 1 83 83 ILE C C 13 172.467 0.300 . 1 . . . A 83 ILE C . 17481 1 991 . 1 1 83 83 ILE CA C 13 60.742 0.300 . 1 . . . A 83 ILE CA . 17481 1 992 . 1 1 83 83 ILE CB C 13 43.168 0.300 . 1 . . . A 83 ILE CB . 17481 1 993 . 1 1 83 83 ILE CG1 C 13 29.451 0.300 . 1 . . . A 83 ILE CG1 . 17481 1 994 . 1 1 83 83 ILE CG2 C 13 18.265 0.300 . 1 . . . A 83 ILE CG2 . 17481 1 995 . 1 1 83 83 ILE CD1 C 13 14.346 0.300 . 1 . . . A 83 ILE CD1 . 17481 1 996 . 1 1 83 83 ILE N N 15 127.231 0.300 . 1 . . . A 83 ILE N . 17481 1 997 . 1 1 84 84 GLU H H 1 8.917 0.020 . 1 . . . A 84 GLU H . 17481 1 998 . 1 1 84 84 GLU HA H 1 5.099 0.020 . 1 . . . A 84 GLU HA . 17481 1 999 . 1 1 84 84 GLU HB2 H 1 1.849 0.020 . 1 . . . A 84 GLU HB2 . 17481 1 1000 . 1 1 84 84 GLU HB3 H 1 1.849 0.020 . 1 . . . A 84 GLU HB3 . 17481 1 1001 . 1 1 84 84 GLU HG2 H 1 1.974 0.020 . 1 . . . A 84 GLU HG2 . 17481 1 1002 . 1 1 84 84 GLU HG3 H 1 1.974 0.020 . 1 . . . A 84 GLU HG3 . 17481 1 1003 . 1 1 84 84 GLU C C 13 175.045 0.300 . 1 . . . A 84 GLU C . 17481 1 1004 . 1 1 84 84 GLU CA C 13 54.202 0.300 . 1 . . . A 84 GLU CA . 17481 1 1005 . 1 1 84 84 GLU CB C 13 33.527 0.300 . 1 . . . A 84 GLU CB . 17481 1 1006 . 1 1 84 84 GLU CG C 13 35.965 0.300 . 1 . . . A 84 GLU CG . 17481 1 1007 . 1 1 84 84 GLU N N 15 127.774 0.300 . 1 . . . A 84 GLU N . 17481 1 1008 . 1 1 85 85 TYR H H 1 9.380 0.020 . 1 . . . A 85 TYR H . 17481 1 1009 . 1 1 85 85 TYR HA H 1 5.193 0.020 . 1 . . . A 85 TYR HA . 17481 1 1010 . 1 1 85 85 TYR HB2 H 1 2.425 0.020 . 1 . . . A 85 TYR HB2 . 17481 1 1011 . 1 1 85 85 TYR HB3 H 1 2.119 0.020 . 1 . . . A 85 TYR HB3 . 17481 1 1012 . 1 1 85 85 TYR HD1 H 1 6.446 0.020 . 1 . . . A 85 TYR HD1 . 17481 1 1013 . 1 1 85 85 TYR HD2 H 1 6.446 0.020 . 1 . . . A 85 TYR HD2 . 17481 1 1014 . 1 1 85 85 TYR HE1 H 1 6.619 0.020 . 1 . . . A 85 TYR HE1 . 17481 1 1015 . 1 1 85 85 TYR HE2 H 1 6.619 0.020 . 1 . . . A 85 TYR HE2 . 17481 1 1016 . 1 1 85 85 TYR C C 13 170.299 0.300 . 1 . . . A 85 TYR C . 17481 1 1017 . 1 1 85 85 TYR CA C 13 56.146 0.300 . 1 . . . A 85 TYR CA . 17481 1 1018 . 1 1 85 85 TYR CB C 13 41.345 0.300 . 1 . . . A 85 TYR CB . 17481 1 1019 . 1 1 85 85 TYR CD2 C 13 133.166 0.300 . 1 . . . A 85 TYR CD2 . 17481 1 1020 . 1 1 85 85 TYR CE2 C 13 117.523 0.300 . 1 . . . A 85 TYR CE2 . 17481 1 1021 . 1 1 85 85 TYR N N 15 125.865 0.300 . 1 . . . A 85 TYR N . 17481 1 1022 . 1 1 86 86 LEU H H 1 8.602 0.020 . 1 . . . A 86 LEU H . 17481 1 1023 . 1 1 86 86 LEU HA H 1 4.960 0.020 . 1 . . . A 86 LEU HA . 17481 1 1024 . 1 1 86 86 LEU HB2 H 1 1.689 0.020 . 1 . . . A 86 LEU HB2 . 17481 1 1025 . 1 1 86 86 LEU HB3 H 1 0.956 0.020 . 1 . . . A 86 LEU HB3 . 17481 1 1026 . 1 1 86 86 LEU HG H 1 1.564 0.020 . 1 . . . A 86 LEU HG . 17481 1 1027 . 1 1 86 86 LEU HD11 H 1 1.050 0.020 . 1 . . . A 86 LEU HD11 . 17481 1 1028 . 1 1 86 86 LEU HD12 H 1 1.050 0.020 . 1 . . . A 86 LEU HD12 . 17481 1 1029 . 1 1 86 86 LEU HD13 H 1 1.050 0.020 . 1 . . . A 86 LEU HD13 . 17481 1 1030 . 1 1 86 86 LEU HD21 H 1 0.763 0.020 . 1 . . . A 86 LEU HD21 . 17481 1 1031 . 1 1 86 86 LEU HD22 H 1 0.763 0.020 . 1 . . . A 86 LEU HD22 . 17481 1 1032 . 1 1 86 86 LEU HD23 H 1 0.763 0.020 . 1 . . . A 86 LEU HD23 . 17481 1 1033 . 1 1 86 86 LEU C C 13 175.338 0.300 . 1 . . . A 86 LEU C . 17481 1 1034 . 1 1 86 86 LEU CA C 13 52.709 0.300 . 1 . . . A 86 LEU CA . 17481 1 1035 . 1 1 86 86 LEU CB C 13 46.419 0.300 . 1 . . . A 86 LEU CB . 17481 1 1036 . 1 1 86 86 LEU CG C 13 27.433 0.300 . 1 . . . A 86 LEU CG . 17481 1 1037 . 1 1 86 86 LEU CD1 C 13 26.286 0.300 . 1 . . . A 86 LEU CD1 . 17481 1 1038 . 1 1 86 86 LEU CD2 C 13 24.315 0.300 . 1 . . . A 86 LEU CD2 . 17481 1 1039 . 1 1 86 86 LEU N N 15 118.364 0.300 . 1 . . . A 86 LEU N . 17481 1 1040 . 1 1 87 87 ASP H H 1 8.513 0.020 . 1 . . . A 87 ASP H . 17481 1 1041 . 1 1 87 87 ASP HA H 1 5.332 0.020 . 1 . . . A 87 ASP HA . 17481 1 1042 . 1 1 87 87 ASP HB2 H 1 2.432 0.020 . 2 . . . A 87 ASP HB2 . 17481 1 1043 . 1 1 87 87 ASP HB3 H 1 2.282 0.020 . 2 . . . A 87 ASP HB3 . 17481 1 1044 . 1 1 87 87 ASP C C 13 176.217 0.300 . 1 . . . A 87 ASP C . 17481 1 1045 . 1 1 87 87 ASP CA C 13 53.316 0.300 . 1 . . . A 87 ASP CA . 17481 1 1046 . 1 1 87 87 ASP CB C 13 44.291 0.300 . 1 . . . A 87 ASP CB . 17481 1 1047 . 1 1 87 87 ASP N N 15 122.614 0.300 . 1 . . . A 87 ASP N . 17481 1 1048 . 1 1 88 88 TYR H H 1 9.534 0.020 . 1 . . . A 88 TYR H . 17481 1 1049 . 1 1 88 88 TYR HA H 1 4.893 0.020 . 1 . . . A 88 TYR HA . 17481 1 1050 . 1 1 88 88 TYR HB2 H 1 2.831 0.020 . 1 . . . A 88 TYR HB2 . 17481 1 1051 . 1 1 88 88 TYR HB3 H 1 3.158 0.020 . 1 . . . A 88 TYR HB3 . 17481 1 1052 . 1 1 88 88 TYR HD1 H 1 7.260 0.020 . 1 . . . A 88 TYR HD1 . 17481 1 1053 . 1 1 88 88 TYR HD2 H 1 7.260 0.020 . 1 . . . A 88 TYR HD2 . 17481 1 1054 . 1 1 88 88 TYR HE1 H 1 6.749 0.020 . 1 . . . A 88 TYR HE1 . 17481 1 1055 . 1 1 88 88 TYR HE2 H 1 6.749 0.020 . 1 . . . A 88 TYR HE2 . 17481 1 1056 . 1 1 88 88 TYR C C 13 176.920 0.300 . 1 . . . A 88 TYR C . 17481 1 1057 . 1 1 88 88 TYR CA C 13 57.084 0.300 . 1 . . . A 88 TYR CA . 17481 1 1058 . 1 1 88 88 TYR CB C 13 40.668 0.300 . 1 . . . A 88 TYR CB . 17481 1 1059 . 1 1 88 88 TYR CD2 C 13 133.486 0.300 . 1 . . . A 88 TYR CD2 . 17481 1 1060 . 1 1 88 88 TYR CE2 C 13 118.326 0.300 . 1 . . . A 88 TYR CE2 . 17481 1 1061 . 1 1 88 88 TYR N N 15 122.545 0.300 . 1 . . . A 88 TYR N . 17481 1 1062 . 1 1 89 89 PHE H H 1 9.034 0.020 . 1 . . . A 89 PHE H . 17481 1 1063 . 1 1 89 89 PHE HA H 1 4.844 0.020 . 1 . . . A 89 PHE HA . 17481 1 1064 . 1 1 89 89 PHE HB2 H 1 3.380 0.020 . 2 . . . A 89 PHE HB2 . 17481 1 1065 . 1 1 89 89 PHE HB3 H 1 3.205 0.020 . 2 . . . A 89 PHE HB3 . 17481 1 1066 . 1 1 89 89 PHE HD1 H 1 7.573 0.020 . 1 . . . A 89 PHE HD1 . 17481 1 1067 . 1 1 89 89 PHE HD2 H 1 7.573 0.020 . 1 . . . A 89 PHE HD2 . 17481 1 1068 . 1 1 89 89 PHE HE1 H 1 7.564 0.020 . 1 . . . A 89 PHE HE1 . 17481 1 1069 . 1 1 89 89 PHE HE2 H 1 7.564 0.020 . 1 . . . A 89 PHE HE2 . 17481 1 1070 . 1 1 89 89 PHE C C 13 175.807 0.300 . 1 . . . A 89 PHE C . 17481 1 1071 . 1 1 89 89 PHE CA C 13 59.271 0.300 . 1 . . . A 89 PHE CA . 17481 1 1072 . 1 1 89 89 PHE CB C 13 39.799 0.300 . 1 . . . A 89 PHE CB . 17481 1 1073 . 1 1 89 89 PHE CD2 C 13 131.986 0.300 . 1 . . . A 89 PHE CD2 . 17481 1 1074 . 1 1 89 89 PHE CE2 C 13 131.860 0.300 . 1 . . . A 89 PHE CE2 . 17481 1 1075 . 1 1 89 89 PHE N N 15 122.992 0.300 . 1 . . . A 89 PHE N . 17481 1 1076 . 1 1 90 90 ALA H H 1 8.185 0.020 . 1 . . . A 90 ALA H . 17481 1 1077 . 1 1 90 90 ALA HA H 1 5.459 0.020 . 1 . . . A 90 ALA HA . 17481 1 1078 . 1 1 90 90 ALA HB1 H 1 1.223 0.020 . 1 . . . A 90 ALA HB1 . 17481 1 1079 . 1 1 90 90 ALA HB2 H 1 1.223 0.020 . 1 . . . A 90 ALA HB2 . 17481 1 1080 . 1 1 90 90 ALA HB3 H 1 1.223 0.020 . 1 . . . A 90 ALA HB3 . 17481 1 1081 . 1 1 90 90 ALA C C 13 176.568 0.300 . 1 . . . A 90 ALA C . 17481 1 1082 . 1 1 90 90 ALA CA C 13 49.986 0.300 . 1 . . . A 90 ALA CA . 17481 1 1083 . 1 1 90 90 ALA CB C 13 24.270 0.300 . 1 . . . A 90 ALA CB . 17481 1 1084 . 1 1 90 90 ALA N N 15 125.857 0.300 . 1 . . . A 90 ALA N . 17481 1 1085 . 1 1 91 91 THR H H 1 8.445 0.020 . 1 . . . A 91 THR H . 17481 1 1086 . 1 1 91 91 THR HA H 1 4.702 0.020 . 1 . . . A 91 THR HA . 17481 1 1087 . 1 1 91 91 THR HB H 1 4.606 0.020 . 1 . . . A 91 THR HB . 17481 1 1088 . 1 1 91 91 THR HG21 H 1 1.213 0.020 . 1 . . . A 91 THR HG21 . 17481 1 1089 . 1 1 91 91 THR HG22 H 1 1.213 0.020 . 1 . . . A 91 THR HG22 . 17481 1 1090 . 1 1 91 91 THR HG23 H 1 1.213 0.020 . 1 . . . A 91 THR HG23 . 17481 1 1091 . 1 1 91 91 THR C C 13 176.158 0.300 . 1 . . . A 91 THR C . 17481 1 1092 . 1 1 91 91 THR CA C 13 59.271 0.300 . 1 . . . A 91 THR CA . 17481 1 1093 . 1 1 91 91 THR CB C 13 72.521 0.300 . 1 . . . A 91 THR CB . 17481 1 1094 . 1 1 91 91 THR CG2 C 13 21.074 0.300 . 1 . . . A 91 THR CG2 . 17481 1 1095 . 1 1 91 91 THR N N 15 109.761 0.300 . 1 . . . A 91 THR N . 17481 1 1096 . 1 1 92 92 SER H H 1 8.621 0.020 . 1 . . . A 92 SER H . 17481 1 1097 . 1 1 92 92 SER HA H 1 2.506 0.020 . 1 . . . A 92 SER HA . 17481 1 1098 . 1 1 92 92 SER HB2 H 1 3.715 0.020 . 2 . . . A 92 SER HB2 . 17481 1 1099 . 1 1 92 92 SER HB3 H 1 3.547 0.020 . 2 . . . A 92 SER HB3 . 17481 1 1100 . 1 1 92 92 SER C C 13 174.811 0.300 . 1 . . . A 92 SER C . 17481 1 1101 . 1 1 92 92 SER CA C 13 59.997 0.300 . 1 . . . A 92 SER CA . 17481 1 1102 . 1 1 92 92 SER CB C 13 62.891 0.300 . 1 . . . A 92 SER CB . 17481 1 1103 . 1 1 92 92 SER N N 15 114.666 0.300 . 1 . . . A 92 SER N . 17481 1 1104 . 1 1 93 93 LYS H H 1 7.096 0.020 . 1 . . . A 93 LYS H . 17481 1 1105 . 1 1 93 93 LYS HA H 1 4.237 0.020 . 1 . . . A 93 LYS HA . 17481 1 1106 . 1 1 93 93 LYS HB2 H 1 1.849 0.020 . 2 . . . A 93 LYS HB2 . 17481 1 1107 . 1 1 93 93 LYS HB3 H 1 1.367 0.020 . 2 . . . A 93 LYS HB3 . 17481 1 1108 . 1 1 93 93 LYS HG2 H 1 1.343 0.020 . 2 . . . A 93 LYS HG2 . 17481 1 1109 . 1 1 93 93 LYS HG3 H 1 1.261 0.020 . 2 . . . A 93 LYS HG3 . 17481 1 1110 . 1 1 93 93 LYS HD2 H 1 1.549 0.020 . 1 . . . A 93 LYS HD2 . 17481 1 1111 . 1 1 93 93 LYS HD3 H 1 1.549 0.020 . 1 . . . A 93 LYS HD3 . 17481 1 1112 . 1 1 93 93 LYS HE2 H 1 2.886 0.020 . 1 . . . A 93 LYS HE2 . 17481 1 1113 . 1 1 93 93 LYS HE3 H 1 2.886 0.020 . 1 . . . A 93 LYS HE3 . 17481 1 1114 . 1 1 93 93 LYS C C 13 176.803 0.300 . 1 . . . A 93 LYS C . 17481 1 1115 . 1 1 93 93 LYS CA C 13 55.124 0.300 . 1 . . . A 93 LYS CA . 17481 1 1116 . 1 1 93 93 LYS CB C 13 32.350 0.300 . 1 . . . A 93 LYS CB . 17481 1 1117 . 1 1 93 93 LYS CG C 13 24.961 0.300 . 1 . . . A 93 LYS CG . 17481 1 1118 . 1 1 93 93 LYS CD C 13 28.574 0.300 . 1 . . . A 93 LYS CD . 17481 1 1119 . 1 1 93 93 LYS CE C 13 41.994 0.300 . 1 . . . A 93 LYS CE . 17481 1 1120 . 1 1 93 93 LYS N N 15 118.412 0.300 . 1 . . . A 93 LYS N . 17481 1 1121 . 1 1 94 94 GLY H H 1 7.863 0.020 . 1 . . . A 94 GLY H . 17481 1 1122 . 1 1 94 94 GLY HA2 H 1 3.047 0.020 . 1 . . . A 94 GLY HA2 . 17481 1 1123 . 1 1 94 94 GLY HA3 H 1 2.149 0.020 . 1 . . . A 94 GLY HA3 . 17481 1 1124 . 1 1 94 94 GLY C C 13 173.229 0.300 . 1 . . . A 94 GLY C . 17481 1 1125 . 1 1 94 94 GLY CA C 13 45.315 0.300 . 1 . . . A 94 GLY CA . 17481 1 1126 . 1 1 94 94 GLY N N 15 109.294 0.300 . 1 . . . A 94 GLY N . 17481 1 1127 . 1 1 95 95 GLU H H 1 6.657 0.020 . 1 . . . A 95 GLU H . 17481 1 1128 . 1 1 95 95 GLU HA H 1 4.277 0.020 . 1 . . . A 95 GLU HA . 17481 1 1129 . 1 1 95 95 GLU HB2 H 1 1.741 0.020 . 1 . . . A 95 GLU HB2 . 17481 1 1130 . 1 1 95 95 GLU HB3 H 1 1.883 0.020 . 1 . . . A 95 GLU HB3 . 17481 1 1131 . 1 1 95 95 GLU HG2 H 1 1.976 0.020 . 2 . . . A 95 GLU HG2 . 17481 1 1132 . 1 1 95 95 GLU HG3 H 1 1.840 0.020 . 2 . . . A 95 GLU HG3 . 17481 1 1133 . 1 1 95 95 GLU C C 13 175.807 0.300 . 1 . . . A 95 GLU C . 17481 1 1134 . 1 1 95 95 GLU CA C 13 53.924 0.300 . 1 . . . A 95 GLU CA . 17481 1 1135 . 1 1 95 95 GLU CB C 13 31.124 0.300 . 1 . . . A 95 GLU CB . 17481 1 1136 . 1 1 95 95 GLU CG C 13 35.937 0.300 . 1 . . . A 95 GLU CG . 17481 1 1137 . 1 1 95 95 GLU N N 15 116.455 0.300 . 1 . . . A 95 GLU N . 17481 1 1138 . 1 1 96 96 LYS H H 1 8.512 0.020 . 1 . . . A 96 LYS H . 17481 1 1139 . 1 1 96 96 LYS HA H 1 4.051 0.020 . 1 . . . A 96 LYS HA . 17481 1 1140 . 1 1 96 96 LYS HB2 H 1 1.434 0.020 . 1 . . . A 96 LYS HB2 . 17481 1 1141 . 1 1 96 96 LYS HB3 H 1 1.434 0.020 . 1 . . . A 96 LYS HB3 . 17481 1 1142 . 1 1 96 96 LYS HG2 H 1 1.163 0.020 . 1 . . . A 96 LYS HG2 . 17481 1 1143 . 1 1 96 96 LYS HG3 H 1 0.795 0.020 . 1 . . . A 96 LYS HG3 . 17481 1 1144 . 1 1 96 96 LYS HD2 H 1 0.831 0.020 . 1 . . . A 96 LYS HD2 . 17481 1 1145 . 1 1 96 96 LYS HD3 H 1 0.771 0.020 . 1 . . . A 96 LYS HD3 . 17481 1 1146 . 1 1 96 96 LYS HE2 H 1 1.950 0.020 . 1 . . . A 96 LYS HE2 . 17481 1 1147 . 1 1 96 96 LYS HE3 H 1 2.217 0.020 . 1 . . . A 96 LYS HE3 . 17481 1 1148 . 1 1 96 96 LYS C C 13 176.217 0.300 . 1 . . . A 96 LYS C . 17481 1 1149 . 1 1 96 96 LYS CA C 13 57.519 0.300 . 1 . . . A 96 LYS CA . 17481 1 1150 . 1 1 96 96 LYS CB C 13 33.021 0.300 . 1 . . . A 96 LYS CB . 17481 1 1151 . 1 1 96 96 LYS CG C 13 25.897 0.300 . 1 . . . A 96 LYS CG . 17481 1 1152 . 1 1 96 96 LYS CD C 13 29.090 0.300 . 1 . . . A 96 LYS CD . 17481 1 1153 . 1 1 96 96 LYS CE C 13 41.496 0.300 . 1 . . . A 96 LYS CE . 17481 1 1154 . 1 1 96 96 LYS N N 15 121.545 0.300 . 1 . . . A 96 LYS N . 17481 1 1155 . 1 1 97 97 ASP H H 1 8.971 0.020 . 1 . . . A 97 ASP H . 17481 1 1156 . 1 1 97 97 ASP HA H 1 4.735 0.020 . 1 . . . A 97 ASP HA . 17481 1 1157 . 1 1 97 97 ASP HB2 H 1 2.964 0.020 . 2 . . . A 97 ASP HB2 . 17481 1 1158 . 1 1 97 97 ASP HB3 H 1 2.290 0.020 . 2 . . . A 97 ASP HB3 . 17481 1 1159 . 1 1 97 97 ASP C C 13 177.272 0.300 . 1 . . . A 97 ASP C . 17481 1 1160 . 1 1 97 97 ASP CA C 13 53.334 0.300 . 1 . . . A 97 ASP CA . 17481 1 1161 . 1 1 97 97 ASP CB C 13 40.928 0.300 . 1 . . . A 97 ASP CB . 17481 1 1162 . 1 1 97 97 ASP N N 15 124.111 0.300 . 1 . . . A 97 ASP N . 17481 1 1163 . 1 1 98 98 THR H H 1 8.212 0.020 . 1 . . . A 98 THR H . 17481 1 1164 . 1 1 98 98 THR HA H 1 4.577 0.020 . 1 . . . A 98 THR HA . 17481 1 1165 . 1 1 98 98 THR HB H 1 4.582 0.020 . 1 . . . A 98 THR HB . 17481 1 1166 . 1 1 98 98 THR HG21 H 1 1.209 0.020 . 1 . . . A 98 THR HG21 . 17481 1 1167 . 1 1 98 98 THR HG22 H 1 1.209 0.020 . 1 . . . A 98 THR HG22 . 17481 1 1168 . 1 1 98 98 THR HG23 H 1 1.209 0.020 . 1 . . . A 98 THR HG23 . 17481 1 1169 . 1 1 98 98 THR C C 13 175.514 0.300 . 1 . . . A 98 THR C . 17481 1 1170 . 1 1 98 98 THR CA C 13 62.397 0.300 . 1 . . . A 98 THR CA . 17481 1 1171 . 1 1 98 98 THR CB C 13 68.417 0.300 . 1 . . . A 98 THR CB . 17481 1 1172 . 1 1 98 98 THR CG2 C 13 21.748 0.300 . 1 . . . A 98 THR CG2 . 17481 1 1173 . 1 1 98 98 THR N N 15 115.514 0.300 . 1 . . . A 98 THR N . 17481 1 1174 . 1 1 99 99 SER H H 1 8.773 0.020 . 1 . . . A 99 SER H . 17481 1 1175 . 1 1 99 99 SER HA H 1 4.357 0.020 . 1 . . . A 99 SER HA . 17481 1 1176 . 1 1 99 99 SER HB2 H 1 3.993 0.020 . 2 . . . A 99 SER HB2 . 17481 1 1177 . 1 1 99 99 SER HB3 H 1 3.911 0.020 . 2 . . . A 99 SER HB3 . 17481 1 1178 . 1 1 99 99 SER C C 13 173.873 0.300 . 1 . . . A 99 SER C . 17481 1 1179 . 1 1 99 99 SER CA C 13 60.423 0.300 . 1 . . . A 99 SER CA . 17481 1 1180 . 1 1 99 99 SER CB C 13 63.657 0.300 . 1 . . . A 99 SER CB . 17481 1 1181 . 1 1 99 99 SER N N 15 118.670 0.300 . 1 . . . A 99 SER N . 17481 1 1182 . 1 1 100 100 MET H H 1 7.380 0.020 . 1 . . . A 100 MET H . 17481 1 1183 . 1 1 100 100 MET HA H 1 5.064 0.020 . 1 . . . A 100 MET HA . 17481 1 1184 . 1 1 100 100 MET HB2 H 1 2.059 0.020 . 2 . . . A 100 MET HB2 . 17481 1 1185 . 1 1 100 100 MET HB3 H 1 1.964 0.020 . 2 . . . A 100 MET HB3 . 17481 1 1186 . 1 1 100 100 MET HG2 H 1 2.375 0.020 . 2 . . . A 100 MET HG2 . 17481 1 1187 . 1 1 100 100 MET HG3 H 1 2.328 0.020 . 2 . . . A 100 MET HG3 . 17481 1 1188 . 1 1 100 100 MET HE1 H 1 1.854 0.020 . 1 . . . A 100 MET HE1 . 17481 1 1189 . 1 1 100 100 MET HE2 H 1 1.854 0.020 . 1 . . . A 100 MET HE2 . 17481 1 1190 . 1 1 100 100 MET HE3 H 1 1.854 0.020 . 1 . . . A 100 MET HE3 . 17481 1 1191 . 1 1 100 100 MET CA C 13 52.146 0.300 . 1 . . . A 100 MET CA . 17481 1 1192 . 1 1 100 100 MET CB C 13 34.077 0.300 . 1 . . . A 100 MET CB . 17481 1 1193 . 1 1 100 100 MET CG C 13 32.022 0.300 . 1 . . . A 100 MET CG . 17481 1 1194 . 1 1 100 100 MET CE C 13 17.166 0.300 . 1 . . . A 100 MET CE . 17481 1 1195 . 1 1 100 100 MET N N 15 121.513 0.300 . 1 . . . A 100 MET N . 17481 1 1196 . 1 1 101 101 PRO HA H 1 4.552 0.020 . 1 . . . A 101 PRO HA . 17481 1 1197 . 1 1 101 101 PRO HB2 H 1 2.332 0.020 . 2 . . . A 101 PRO HB2 . 17481 1 1198 . 1 1 101 101 PRO HB3 H 1 1.958 0.020 . 2 . . . A 101 PRO HB3 . 17481 1 1199 . 1 1 101 101 PRO HG2 H 1 2.094 0.020 . 2 . . . A 101 PRO HG2 . 17481 1 1200 . 1 1 101 101 PRO HG3 H 1 1.843 0.020 . 2 . . . A 101 PRO HG3 . 17481 1 1201 . 1 1 101 101 PRO HD2 H 1 3.744 0.020 . 1 . . . A 101 PRO HD2 . 17481 1 1202 . 1 1 101 101 PRO HD3 H 1 3.892 0.020 . 1 . . . A 101 PRO HD3 . 17481 1 1203 . 1 1 101 101 PRO C C 13 177.389 0.300 . 1 . . . A 101 PRO C . 17481 1 1204 . 1 1 101 101 PRO CA C 13 62.750 0.300 . 1 . . . A 101 PRO CA . 17481 1 1205 . 1 1 101 101 PRO CB C 13 32.280 0.300 . 1 . . . A 101 PRO CB . 17481 1 1206 . 1 1 101 101 PRO CG C 13 27.292 0.300 . 1 . . . A 101 PRO CG . 17481 1 1207 . 1 1 101 101 PRO CD C 13 50.784 0.300 . 1 . . . A 101 PRO CD . 17481 1 1208 . 1 1 102 102 GLY H H 1 8.509 0.020 . 1 . . . A 102 GLY H . 17481 1 1209 . 1 1 102 102 GLY HA2 H 1 2.899 0.020 . 1 . . . A 102 GLY HA2 . 17481 1 1210 . 1 1 102 102 GLY HA3 H 1 3.958 0.020 . 1 . . . A 102 GLY HA3 . 17481 1 1211 . 1 1 102 102 GLY C C 13 173.229 0.300 . 1 . . . A 102 GLY C . 17481 1 1212 . 1 1 102 102 GLY CA C 13 45.015 0.300 . 1 . . . A 102 GLY CA . 17481 1 1213 . 1 1 102 102 GLY N N 15 108.991 0.300 . 1 . . . A 102 GLY N . 17481 1 1214 . 1 1 103 103 MET H H 1 8.481 0.020 . 1 . . . A 103 MET H . 17481 1 1215 . 1 1 103 103 MET HA H 1 4.461 0.020 . 1 . . . A 103 MET HA . 17481 1 1216 . 1 1 103 103 MET HB2 H 1 1.820 0.020 . 2 . . . A 103 MET HB2 . 17481 1 1217 . 1 1 103 103 MET HB3 H 1 1.739 0.020 . 2 . . . A 103 MET HB3 . 17481 1 1218 . 1 1 103 103 MET HG2 H 1 2.231 0.020 . 2 . . . A 103 MET HG2 . 17481 1 1219 . 1 1 103 103 MET HG3 H 1 2.137 0.020 . 2 . . . A 103 MET HG3 . 17481 1 1220 . 1 1 103 103 MET HE1 H 1 1.345 0.020 . 1 . . . A 103 MET HE1 . 17481 1 1221 . 1 1 103 103 MET HE2 H 1 1.345 0.020 . 1 . . . A 103 MET HE2 . 17481 1 1222 . 1 1 103 103 MET HE3 H 1 1.345 0.020 . 1 . . . A 103 MET HE3 . 17481 1 1223 . 1 1 103 103 MET C C 13 173.756 0.300 . 1 . . . A 103 MET C . 17481 1 1224 . 1 1 103 103 MET CA C 13 54.196 0.300 . 1 . . . A 103 MET CA . 17481 1 1225 . 1 1 103 103 MET CB C 13 34.508 0.300 . 1 . . . A 103 MET CB . 17481 1 1226 . 1 1 103 103 MET CG C 13 31.103 0.300 . 1 . . . A 103 MET CG . 17481 1 1227 . 1 1 103 103 MET CE C 13 15.929 0.300 . 1 . . . A 103 MET CE . 17481 1 1228 . 1 1 103 103 MET N N 15 121.823 0.300 . 1 . . . A 103 MET N . 17481 1 1229 . 1 1 104 104 HIS H H 1 7.672 0.020 . 1 . . . A 104 HIS H . 17481 1 1230 . 1 1 104 104 HIS HA H 1 4.602 0.020 . 1 . . . A 104 HIS HA . 17481 1 1231 . 1 1 104 104 HIS HB2 H 1 2.845 0.020 . 1 . . . A 104 HIS HB2 . 17481 1 1232 . 1 1 104 104 HIS HB3 H 1 2.845 0.020 . 1 . . . A 104 HIS HB3 . 17481 1 1233 . 1 1 104 104 HIS HD2 H 1 6.720 0.020 . 1 . . . A 104 HIS HD2 . 17481 1 1234 . 1 1 104 104 HIS C C 13 173.521 0.300 . 1 . . . A 104 HIS C . 17481 1 1235 . 1 1 104 104 HIS CA C 13 57.084 0.300 . 1 . . . A 104 HIS CA . 17481 1 1236 . 1 1 104 104 HIS CB C 13 32.990 0.300 . 1 . . . A 104 HIS CB . 17481 1 1237 . 1 1 104 104 HIS CD2 C 13 116.291 0.300 . 1 . . . A 104 HIS CD2 . 17481 1 1238 . 1 1 104 104 HIS N N 15 126.304 0.300 . 1 . . . A 104 HIS N . 17481 1 1239 . 1 1 105 105 ILE H H 1 8.671 0.020 . 1 . . . A 105 ILE H . 17481 1 1240 . 1 1 105 105 ILE HA H 1 4.893 0.020 . 1 . . . A 105 ILE HA . 17481 1 1241 . 1 1 105 105 ILE HB H 1 0.144 0.020 . 1 . . . A 105 ILE HB . 17481 1 1242 . 1 1 105 105 ILE HG12 H 1 1.014 0.020 . 2 . . . A 105 ILE HG12 . 17481 1 1243 . 1 1 105 105 ILE HG13 H 1 0.778 0.020 . 2 . . . A 105 ILE HG13 . 17481 1 1244 . 1 1 105 105 ILE HG21 H 1 0.470 0.020 . 1 . . . A 105 ILE HG21 . 17481 1 1245 . 1 1 105 105 ILE HG22 H 1 0.470 0.020 . 1 . . . A 105 ILE HG22 . 17481 1 1246 . 1 1 105 105 ILE HG23 H 1 0.470 0.020 . 1 . . . A 105 ILE HG23 . 17481 1 1247 . 1 1 105 105 ILE HD11 H 1 0.549 0.020 . 1 . . . A 105 ILE HD11 . 17481 1 1248 . 1 1 105 105 ILE HD12 H 1 0.549 0.020 . 1 . . . A 105 ILE HD12 . 17481 1 1249 . 1 1 105 105 ILE HD13 H 1 0.549 0.020 . 1 . . . A 105 ILE HD13 . 17481 1 1250 . 1 1 105 105 ILE C C 13 174.635 0.300 . 1 . . . A 105 ILE C . 17481 1 1251 . 1 1 105 105 ILE CA C 13 59.640 0.300 . 1 . . . A 105 ILE CA . 17481 1 1252 . 1 1 105 105 ILE CB C 13 40.702 0.300 . 1 . . . A 105 ILE CB . 17481 1 1253 . 1 1 105 105 ILE CG1 C 13 28.065 0.300 . 1 . . . A 105 ILE CG1 . 17481 1 1254 . 1 1 105 105 ILE CG2 C 13 18.014 0.300 . 1 . . . A 105 ILE CG2 . 17481 1 1255 . 1 1 105 105 ILE CD1 C 13 13.696 0.300 . 1 . . . A 105 ILE CD1 . 17481 1 1256 . 1 1 105 105 ILE N N 15 130.357 0.300 . 1 . . . A 105 ILE N . 17481 1 1257 . 1 1 106 106 THR H H 1 8.359 0.020 . 1 . . . A 106 THR H . 17481 1 1258 . 1 1 106 106 THR HA H 1 5.027 0.020 . 1 . . . A 106 THR HA . 17481 1 1259 . 1 1 106 106 THR HB H 1 4.197 0.020 . 1 . . . A 106 THR HB . 17481 1 1260 . 1 1 106 106 THR HG21 H 1 1.244 0.020 . 1 . . . A 106 THR HG21 . 17481 1 1261 . 1 1 106 106 THR HG22 H 1 1.244 0.020 . 1 . . . A 106 THR HG22 . 17481 1 1262 . 1 1 106 106 THR HG23 H 1 1.244 0.020 . 1 . . . A 106 THR HG23 . 17481 1 1263 . 1 1 106 106 THR C C 13 173.580 0.300 . 1 . . . A 106 THR C . 17481 1 1264 . 1 1 106 106 THR CA C 13 59.250 0.300 . 1 . . . A 106 THR CA . 17481 1 1265 . 1 1 106 106 THR CB C 13 71.980 0.300 . 1 . . . A 106 THR CB . 17481 1 1266 . 1 1 106 106 THR CG2 C 13 22.381 0.300 . 1 . . . A 106 THR CG2 . 17481 1 1267 . 1 1 106 106 THR N N 15 113.917 0.300 . 1 . . . A 106 THR N . 17481 1 1268 . 1 1 107 107 LEU H H 1 9.397 0.020 . 1 . . . A 107 LEU H . 17481 1 1269 . 1 1 107 107 LEU HA H 1 5.118 0.020 . 1 . . . A 107 LEU HA . 17481 1 1270 . 1 1 107 107 LEU HB2 H 1 1.647 0.020 . 1 . . . A 107 LEU HB2 . 17481 1 1271 . 1 1 107 107 LEU HB3 H 1 0.751 0.020 . 1 . . . A 107 LEU HB3 . 17481 1 1272 . 1 1 107 107 LEU HG H 1 1.433 0.020 . 1 . . . A 107 LEU HG . 17481 1 1273 . 1 1 107 107 LEU HD21 H 1 0.918 0.020 . 1 . . . A 107 LEU HD21 . 17481 1 1274 . 1 1 107 107 LEU HD22 H 1 0.918 0.020 . 1 . . . A 107 LEU HD22 . 17481 1 1275 . 1 1 107 107 LEU HD23 H 1 0.918 0.020 . 1 . . . A 107 LEU HD23 . 17481 1 1276 . 1 1 107 107 LEU C C 13 174.342 0.300 . 1 . . . A 107 LEU C . 17481 1 1277 . 1 1 107 107 LEU CA C 13 53.294 0.300 . 1 . . . A 107 LEU CA . 17481 1 1278 . 1 1 107 107 LEU CB C 13 46.039 0.300 . 1 . . . A 107 LEU CB . 17481 1 1279 . 1 1 107 107 LEU CG C 13 26.894 0.300 . 1 . . . A 107 LEU CG . 17481 1 1280 . 1 1 107 107 LEU CD2 C 13 24.298 0.300 . 1 . . . A 107 LEU CD2 . 17481 1 1281 . 1 1 107 107 LEU N N 15 124.296 0.300 . 1 . . . A 107 LEU N . 17481 1 1282 . 1 1 108 108 ASN H H 1 8.582 0.020 . 1 . . . A 108 ASN H . 17481 1 1283 . 1 1 108 108 ASN HA H 1 5.775 0.020 . 1 . . . A 108 ASN HA . 17481 1 1284 . 1 1 108 108 ASN HB2 H 1 2.530 0.020 . 1 . . . A 108 ASN HB2 . 17481 1 1285 . 1 1 108 108 ASN HB3 H 1 2.979 0.020 . 1 . . . A 108 ASN HB3 . 17481 1 1286 . 1 1 108 108 ASN HD21 H 1 8.136 0.020 . 1 . . . A 108 ASN HD21 . 17481 1 1287 . 1 1 108 108 ASN HD22 H 1 7.225 0.020 . 1 . . . A 108 ASN HD22 . 17481 1 1288 . 1 1 108 108 ASN C C 13 173.521 0.300 . 1 . . . A 108 ASN C . 17481 1 1289 . 1 1 108 108 ASN CA C 13 52.709 0.300 . 1 . . . A 108 ASN CA . 17481 1 1290 . 1 1 108 108 ASN CB C 13 43.582 0.300 . 1 . . . A 108 ASN CB . 17481 1 1291 . 1 1 108 108 ASN N N 15 118.903 0.300 . 1 . . . A 108 ASN N . 17481 1 1292 . 1 1 108 108 ASN ND2 N 15 113.120 0.300 . 1 . . . A 108 ASN ND2 . 17481 1 1293 . 1 1 109 109 PHE H H 1 8.901 0.020 . 1 . . . A 109 PHE H . 17481 1 1294 . 1 1 109 109 PHE HD1 H 1 7.058 0.020 . 1 . . . A 109 PHE HD1 . 17481 1 1295 . 1 1 109 109 PHE HD2 H 1 7.058 0.020 . 1 . . . A 109 PHE HD2 . 17481 1 1296 . 1 1 109 109 PHE CA C 13 56.459 0.300 . 1 . . . A 109 PHE CA . 17481 1 1297 . 1 1 109 109 PHE CB C 13 41.771 0.300 . 1 . . . A 109 PHE CB . 17481 1 1298 . 1 1 109 109 PHE CD1 C 13 131.464 0.300 . 1 . . . A 109 PHE CD1 . 17481 1 1299 . 1 1 109 109 PHE N N 15 122.016 0.300 . 1 . . . A 109 PHE N . 17481 1 1300 . 1 1 113 113 LYS HA H 1 3.870 0.020 . 1 . . . A 113 LYS HA . 17481 1 1301 . 1 1 113 113 LYS HB2 H 1 2.016 0.020 . 2 . . . A 113 LYS HB2 . 17481 1 1302 . 1 1 113 113 LYS HB3 H 1 1.750 0.020 . 2 . . . A 113 LYS HB3 . 17481 1 1303 . 1 1 113 113 LYS HG2 H 1 1.480 0.020 . 2 . . . A 113 LYS HG2 . 17481 1 1304 . 1 1 113 113 LYS HG3 H 1 1.443 0.020 . 2 . . . A 113 LYS HG3 . 17481 1 1305 . 1 1 113 113 LYS C C 13 176.334 0.300 . 1 . . . A 113 LYS C . 17481 1 1306 . 1 1 113 113 LYS CA C 13 57.162 0.300 . 1 . . . A 113 LYS CA . 17481 1 1307 . 1 1 113 113 LYS CB C 13 30.755 0.300 . 1 . . . A 113 LYS CB . 17481 1 1308 . 1 1 113 113 LYS CG C 13 25.293 0.300 . 1 . . . A 113 LYS CG . 17481 1 1309 . 1 1 113 113 LYS CD C 13 29.274 0.300 . 1 . . . A 113 LYS CD . 17481 1 1310 . 1 1 113 113 LYS CE C 13 42.176 0.300 . 1 . . . A 113 LYS CE . 17481 1 1311 . 1 1 114 114 GLY H H 1 8.740 0.020 . 1 . . . A 114 GLY H . 17481 1 1312 . 1 1 114 114 GLY HA2 H 1 4.051 0.020 . 2 . . . A 114 GLY HA2 . 17481 1 1313 . 1 1 114 114 GLY HA3 H 1 3.604 0.020 . 2 . . . A 114 GLY HA3 . 17481 1 1314 . 1 1 114 114 GLY C C 13 173.404 0.300 . 1 . . . A 114 GLY C . 17481 1 1315 . 1 1 114 114 GLY CA C 13 45.640 0.300 . 1 . . . A 114 GLY CA . 17481 1 1316 . 1 1 114 114 GLY N N 15 104.819 0.300 . 1 . . . A 114 GLY N . 17481 1 1317 . 1 1 115 115 LYS H H 1 7.779 0.020 . 1 . . . A 115 LYS H . 17481 1 1318 . 1 1 115 115 LYS HA H 1 5.084 0.020 . 1 . . . A 115 LYS HA . 17481 1 1319 . 1 1 115 115 LYS HB2 H 1 1.883 0.020 . 2 . . . A 115 LYS HB2 . 17481 1 1320 . 1 1 115 115 LYS HB3 H 1 1.566 0.020 . 2 . . . A 115 LYS HB3 . 17481 1 1321 . 1 1 115 115 LYS HG2 H 1 1.457 0.020 . 2 . . . A 115 LYS HG2 . 17481 1 1322 . 1 1 115 115 LYS HG3 H 1 1.290 0.020 . 2 . . . A 115 LYS HG3 . 17481 1 1323 . 1 1 115 115 LYS HD2 H 1 1.744 0.020 . 1 . . . A 115 LYS HD2 . 17481 1 1324 . 1 1 115 115 LYS HD3 H 1 1.744 0.020 . 1 . . . A 115 LYS HD3 . 17481 1 1325 . 1 1 115 115 LYS HE2 H 1 3.005 0.020 . 1 . . . A 115 LYS HE2 . 17481 1 1326 . 1 1 115 115 LYS HE3 H 1 3.005 0.020 . 1 . . . A 115 LYS HE3 . 17481 1 1327 . 1 1 115 115 LYS C C 13 176.510 0.300 . 1 . . . A 115 LYS C . 17481 1 1328 . 1 1 115 115 LYS CA C 13 54.584 0.300 . 1 . . . A 115 LYS CA . 17481 1 1329 . 1 1 115 115 LYS CB C 13 34.131 0.300 . 1 . . . A 115 LYS CB . 17481 1 1330 . 1 1 115 115 LYS CG C 13 25.112 0.300 . 1 . . . A 115 LYS CG . 17481 1 1331 . 1 1 115 115 LYS CD C 13 29.238 0.300 . 1 . . . A 115 LYS CD . 17481 1 1332 . 1 1 115 115 LYS CE C 13 42.141 0.300 . 1 . . . A 115 LYS CE . 17481 1 1333 . 1 1 115 115 LYS N N 15 118.794 0.300 . 1 . . . A 115 LYS N . 17481 1 1334 . 1 1 116 116 THR H H 1 9.310 0.020 . 1 . . . A 116 THR H . 17481 1 1335 . 1 1 116 116 THR HA H 1 5.308 0.020 . 1 . . . A 116 THR HA . 17481 1 1336 . 1 1 116 116 THR HB H 1 4.073 0.020 . 1 . . . A 116 THR HB . 17481 1 1337 . 1 1 116 116 THR HG21 H 1 1.334 0.020 . 1 . . . A 116 THR HG21 . 17481 1 1338 . 1 1 116 116 THR HG22 H 1 1.334 0.020 . 1 . . . A 116 THR HG22 . 17481 1 1339 . 1 1 116 116 THR HG23 H 1 1.334 0.020 . 1 . . . A 116 THR HG23 . 17481 1 1340 . 1 1 116 116 THR C C 13 174.635 0.300 . 1 . . . A 116 THR C . 17481 1 1341 . 1 1 116 116 THR CA C 13 63.040 0.300 . 1 . . . A 116 THR CA . 17481 1 1342 . 1 1 116 116 THR CB C 13 70.528 0.300 . 1 . . . A 116 THR CB . 17481 1 1343 . 1 1 116 116 THR CG2 C 13 21.795 0.300 . 1 . . . A 116 THR CG2 . 17481 1 1344 . 1 1 116 116 THR N N 15 123.219 0.300 . 1 . . . A 116 THR N . 17481 1 1345 . 1 1 117 117 THR H H 1 9.787 0.020 . 1 . . . A 117 THR H . 17481 1 1346 . 1 1 117 117 THR HA H 1 5.049 0.020 . 1 . . . A 117 THR HA . 17481 1 1347 . 1 1 117 117 THR HB H 1 3.979 0.020 . 1 . . . A 117 THR HB . 17481 1 1348 . 1 1 117 117 THR HG21 H 1 1.003 0.020 . 1 . . . A 117 THR HG21 . 17481 1 1349 . 1 1 117 117 THR HG22 H 1 1.003 0.020 . 1 . . . A 117 THR HG22 . 17481 1 1350 . 1 1 117 117 THR HG23 H 1 1.003 0.020 . 1 . . . A 117 THR HG23 . 17481 1 1351 . 1 1 117 117 THR C C 13 173.814 0.300 . 1 . . . A 117 THR C . 17481 1 1352 . 1 1 117 117 THR CA C 13 62.664 0.300 . 1 . . . A 117 THR CA . 17481 1 1353 . 1 1 117 117 THR CB C 13 70.386 0.300 . 1 . . . A 117 THR CB . 17481 1 1354 . 1 1 117 117 THR CG2 C 13 21.570 0.300 . 1 . . . A 117 THR CG2 . 17481 1 1355 . 1 1 117 117 THR N N 15 126.511 0.300 . 1 . . . A 117 THR N . 17481 1 1356 . 1 1 118 118 VAL H H 1 9.303 0.020 . 1 . . . A 118 VAL H . 17481 1 1357 . 1 1 118 118 VAL HA H 1 4.638 0.020 . 1 . . . A 118 VAL HA . 17481 1 1358 . 1 1 118 118 VAL HB H 1 2.039 0.020 . 1 . . . A 118 VAL HB . 17481 1 1359 . 1 1 118 118 VAL HG11 H 1 0.592 0.020 . 1 . . . A 118 VAL HG11 . 17481 1 1360 . 1 1 118 118 VAL HG12 H 1 0.592 0.020 . 1 . . . A 118 VAL HG12 . 17481 1 1361 . 1 1 118 118 VAL HG13 H 1 0.592 0.020 . 1 . . . A 118 VAL HG13 . 17481 1 1362 . 1 1 118 118 VAL HG21 H 1 0.949 0.020 . 1 . . . A 118 VAL HG21 . 17481 1 1363 . 1 1 118 118 VAL HG22 H 1 0.949 0.020 . 1 . . . A 118 VAL HG22 . 17481 1 1364 . 1 1 118 118 VAL HG23 H 1 0.949 0.020 . 1 . . . A 118 VAL HG23 . 17481 1 1365 . 1 1 118 118 VAL C C 13 175.104 0.300 . 1 . . . A 118 VAL C . 17481 1 1366 . 1 1 118 118 VAL CA C 13 60.833 0.300 . 1 . . . A 118 VAL CA . 17481 1 1367 . 1 1 118 118 VAL CB C 13 34.110 0.300 . 1 . . . A 118 VAL CB . 17481 1 1368 . 1 1 118 118 VAL CG1 C 13 19.821 0.300 . 1 . . . A 118 VAL CG1 . 17481 1 1369 . 1 1 118 118 VAL CG2 C 13 22.454 0.300 . 1 . . . A 118 VAL CG2 . 17481 1 1370 . 1 1 118 118 VAL N N 15 130.653 0.300 . 1 . . . A 118 VAL N . 17481 1 1371 . 1 1 119 119 THR H H 1 8.911 0.020 . 1 . . . A 119 THR H . 17481 1 1372 . 1 1 119 119 THR HA H 1 5.037 0.020 . 1 . . . A 119 THR HA . 17481 1 1373 . 1 1 119 119 THR HB H 1 3.970 0.020 . 1 . . . A 119 THR HB . 17481 1 1374 . 1 1 119 119 THR HG21 H 1 1.015 0.020 . 1 . . . A 119 THR HG21 . 17481 1 1375 . 1 1 119 119 THR HG22 H 1 1.015 0.020 . 1 . . . A 119 THR HG22 . 17481 1 1376 . 1 1 119 119 THR HG23 H 1 1.015 0.020 . 1 . . . A 119 THR HG23 . 17481 1 1377 . 1 1 119 119 THR C C 13 174.811 0.300 . 1 . . . A 119 THR C . 17481 1 1378 . 1 1 119 119 THR CA C 13 61.526 0.300 . 1 . . . A 119 THR CA . 17481 1 1379 . 1 1 119 119 THR CB C 13 69.968 0.300 . 1 . . . A 119 THR CB . 17481 1 1380 . 1 1 119 119 THR CG2 C 13 20.782 0.300 . 1 . . . A 119 THR CG2 . 17481 1 1381 . 1 1 119 119 THR N N 15 124.613 0.300 . 1 . . . A 119 THR N . 17481 1 1382 . 1 1 120 120 SER H H 1 9.914 0.020 . 1 . . . A 120 SER H . 17481 1 1383 . 1 1 120 120 SER HA H 1 5.656 0.020 . 1 . . . A 120 SER HA . 17481 1 1384 . 1 1 120 120 SER HB2 H 1 3.737 0.020 . 1 . . . A 120 SER HB2 . 17481 1 1385 . 1 1 120 120 SER HB3 H 1 3.948 0.020 . 1 . . . A 120 SER HB3 . 17481 1 1386 . 1 1 120 120 SER C C 13 174.400 0.300 . 1 . . . A 120 SER C . 17481 1 1387 . 1 1 120 120 SER CA C 13 55.294 0.300 . 1 . . . A 120 SER CA . 17481 1 1388 . 1 1 120 120 SER CB C 13 64.737 0.300 . 1 . . . A 120 SER CB . 17481 1 1389 . 1 1 120 120 SER N N 15 125.755 0.300 . 1 . . . A 120 SER N . 17481 1 1390 . 1 1 121 121 THR H H 1 9.485 0.020 . 1 . . . A 121 THR H . 17481 1 1391 . 1 1 121 121 THR HA H 1 5.176 0.020 . 1 . . . A 121 THR HA . 17481 1 1392 . 1 1 121 121 THR HB H 1 4.320 0.020 . 1 . . . A 121 THR HB . 17481 1 1393 . 1 1 121 121 THR HG21 H 1 1.088 0.020 . 1 . . . A 121 THR HG21 . 17481 1 1394 . 1 1 121 121 THR HG22 H 1 1.088 0.020 . 1 . . . A 121 THR HG22 . 17481 1 1395 . 1 1 121 121 THR HG23 H 1 1.088 0.020 . 1 . . . A 121 THR HG23 . 17481 1 1396 . 1 1 121 121 THR C C 13 174.459 0.300 . 1 . . . A 121 THR C . 17481 1 1397 . 1 1 121 121 THR CA C 13 62.313 0.300 . 1 . . . A 121 THR CA . 17481 1 1398 . 1 1 121 121 THR CB C 13 69.116 0.300 . 1 . . . A 121 THR CB . 17481 1 1399 . 1 1 121 121 THR CG2 C 13 21.054 0.300 . 1 . . . A 121 THR CG2 . 17481 1 1400 . 1 1 121 121 THR N N 15 124.851 0.300 . 1 . . . A 121 THR N . 17481 1 1401 . 1 1 122 122 SER H H 1 9.451 0.020 . 1 . . . A 122 SER H . 17481 1 1402 . 1 1 122 122 SER HA H 1 5.209 0.020 . 1 . . . A 122 SER HA . 17481 1 1403 . 1 1 122 122 SER HB2 H 1 3.870 0.020 . 2 . . . A 122 SER HB2 . 17481 1 1404 . 1 1 122 122 SER HB3 H 1 3.622 0.020 . 2 . . . A 122 SER HB3 . 17481 1 1405 . 1 1 122 122 SER C C 13 173.463 0.300 . 1 . . . A 122 SER C . 17481 1 1406 . 1 1 122 122 SER CA C 13 57.369 0.300 . 1 . . . A 122 SER CA . 17481 1 1407 . 1 1 122 122 SER CB C 13 64.569 0.300 . 1 . . . A 122 SER CB . 17481 1 1408 . 1 1 122 122 SER N N 15 125.974 0.300 . 1 . . . A 122 SER N . 17481 1 1409 . 1 1 123 123 THR H H 1 9.311 0.020 . 1 . . . A 123 THR H . 17481 1 1410 . 1 1 123 123 THR HA H 1 4.627 0.020 . 1 . . . A 123 THR HA . 17481 1 1411 . 1 1 123 123 THR HB H 1 4.212 0.020 . 1 . . . A 123 THR HB . 17481 1 1412 . 1 1 123 123 THR HG21 H 1 1.152 0.020 . 1 . . . A 123 THR HG21 . 17481 1 1413 . 1 1 123 123 THR HG22 H 1 1.152 0.020 . 1 . . . A 123 THR HG22 . 17481 1 1414 . 1 1 123 123 THR HG23 H 1 1.152 0.020 . 1 . . . A 123 THR HG23 . 17481 1 1415 . 1 1 123 123 THR C C 13 174.049 0.300 . 1 . . . A 123 THR C . 17481 1 1416 . 1 1 123 123 THR CA C 13 63.551 0.300 . 1 . . . A 123 THR CA . 17481 1 1417 . 1 1 123 123 THR CB C 13 69.189 0.300 . 1 . . . A 123 THR CB . 17481 1 1418 . 1 1 123 123 THR CG2 C 13 21.973 0.300 . 1 . . . A 123 THR CG2 . 17481 1 1419 . 1 1 123 123 THR N N 15 122.671 0.300 . 1 . . . A 123 THR N . 17481 1 1420 . 1 1 124 124 PHE H H 1 9.143 0.020 . 1 . . . A 124 PHE H . 17481 1 1421 . 1 1 124 124 PHE HA H 1 4.670 0.020 . 1 . . . A 124 PHE HA . 17481 1 1422 . 1 1 124 124 PHE HB2 H 1 3.035 0.020 . 1 . . . A 124 PHE HB2 . 17481 1 1423 . 1 1 124 124 PHE HB3 H 1 3.307 0.020 . 1 . . . A 124 PHE HB3 . 17481 1 1424 . 1 1 124 124 PHE HD1 H 1 7.362 0.020 . 1 . . . A 124 PHE HD1 . 17481 1 1425 . 1 1 124 124 PHE HD2 H 1 7.362 0.020 . 1 . . . A 124 PHE HD2 . 17481 1 1426 . 1 1 124 124 PHE CA C 13 56.877 0.300 . 1 . . . A 124 PHE CA . 17481 1 1427 . 1 1 124 124 PHE CB C 13 40.339 0.300 . 1 . . . A 124 PHE CB . 17481 1 1428 . 1 1 124 124 PHE CD1 C 13 131.322 0.300 . 1 . . . A 124 PHE CD1 . 17481 1 1429 . 1 1 124 124 PHE N N 15 127.975 0.300 . 1 . . . A 124 PHE N . 17481 1 1430 . 1 1 125 125 PRO HA H 1 4.489 0.020 . 1 . . . A 125 PRO HA . 17481 1 1431 . 1 1 125 125 PRO HB2 H 1 2.483 0.020 . 2 . . . A 125 PRO HB2 . 17481 1 1432 . 1 1 125 125 PRO HB3 H 1 2.126 0.020 . 2 . . . A 125 PRO HB3 . 17481 1 1433 . 1 1 125 125 PRO HG2 H 1 1.983 0.020 . 1 . . . A 125 PRO HG2 . 17481 1 1434 . 1 1 125 125 PRO HG3 H 1 1.983 0.020 . 1 . . . A 125 PRO HG3 . 17481 1 1435 . 1 1 125 125 PRO HD2 H 1 3.855 0.020 . 1 . . . A 125 PRO HD2 . 17481 1 1436 . 1 1 125 125 PRO HD3 H 1 3.459 0.020 . 1 . . . A 125 PRO HD3 . 17481 1 1437 . 1 1 125 125 PRO CA C 13 61.828 0.300 . 1 . . . A 125 PRO CA . 17481 1 1438 . 1 1 125 125 PRO CB C 13 33.072 0.300 . 1 . . . A 125 PRO CB . 17481 1 1439 . 1 1 125 125 PRO CG C 13 27.321 0.300 . 1 . . . A 125 PRO CG . 17481 1 1440 . 1 1 125 125 PRO CD C 13 50.843 0.300 . 1 . . . A 125 PRO CD . 17481 1 1441 . 1 1 126 126 THR H H 1 6.915 0.020 . 1 . . . A 126 THR H . 17481 1 1442 . 1 1 126 126 THR HA H 1 4.751 0.020 . 1 . . . A 126 THR HA . 17481 1 1443 . 1 1 126 126 THR HB H 1 4.664 0.020 . 1 . . . A 126 THR HB . 17481 1 1444 . 1 1 126 126 THR HG21 H 1 1.290 0.020 . 1 . . . A 126 THR HG21 . 17481 1 1445 . 1 1 126 126 THR HG22 H 1 1.290 0.020 . 1 . . . A 126 THR HG22 . 17481 1 1446 . 1 1 126 126 THR HG23 H 1 1.290 0.020 . 1 . . . A 126 THR HG23 . 17481 1 1447 . 1 1 126 126 THR CA C 13 58.334 0.300 . 1 . . . A 126 THR CA . 17481 1 1448 . 1 1 126 126 THR CB C 13 73.990 0.300 . 1 . . . A 126 THR CB . 17481 1 1449 . 1 1 126 126 THR CG2 C 13 22.356 0.300 . 1 . . . A 126 THR CG2 . 17481 1 1450 . 1 1 126 126 THR N N 15 100.739 0.300 . 1 . . . A 126 THR N . 17481 1 1451 . 1 1 128 128 SER HA H 1 4.162 0.020 . 1 . . . A 128 SER HA . 17481 1 1452 . 1 1 128 128 SER HB2 H 1 3.890 0.020 . 2 . . . A 128 SER HB2 . 17481 1 1453 . 1 1 128 128 SER HB3 H 1 3.861 0.020 . 2 . . . A 128 SER HB3 . 17481 1 1454 . 1 1 128 128 SER C C 13 176.803 0.300 . 1 . . . A 128 SER C . 17481 1 1455 . 1 1 128 128 SER CA C 13 61.368 0.300 . 1 . . . A 128 SER CA . 17481 1 1456 . 1 1 128 128 SER CB C 13 62.231 0.300 . 1 . . . A 128 SER CB . 17481 1 1457 . 1 1 129 129 ALA H H 1 8.165 0.020 . 1 . . . A 129 ALA H . 17481 1 1458 . 1 1 129 129 ALA HA H 1 4.170 0.020 . 1 . . . A 129 ALA HA . 17481 1 1459 . 1 1 129 129 ALA HB1 H 1 1.698 0.020 . 1 . . . A 129 ALA HB1 . 17481 1 1460 . 1 1 129 129 ALA HB2 H 1 1.698 0.020 . 1 . . . A 129 ALA HB2 . 17481 1 1461 . 1 1 129 129 ALA HB3 H 1 1.698 0.020 . 1 . . . A 129 ALA HB3 . 17481 1 1462 . 1 1 129 129 ALA C C 13 179.674 0.300 . 1 . . . A 129 ALA C . 17481 1 1463 . 1 1 129 129 ALA CA C 13 54.907 0.300 . 1 . . . A 129 ALA CA . 17481 1 1464 . 1 1 129 129 ALA CB C 13 18.947 0.300 . 1 . . . A 129 ALA CB . 17481 1 1465 . 1 1 129 129 ALA N N 15 125.280 0.300 . 1 . . . A 129 ALA N . 17481 1 1466 . 1 1 130 130 ALA H H 1 7.160 0.020 . 1 . . . A 130 ALA H . 17481 1 1467 . 1 1 130 130 ALA HA H 1 2.585 0.020 . 1 . . . A 130 ALA HA . 17481 1 1468 . 1 1 130 130 ALA HB1 H 1 1.184 0.020 . 1 . . . A 130 ALA HB1 . 17481 1 1469 . 1 1 130 130 ALA HB2 H 1 1.184 0.020 . 1 . . . A 130 ALA HB2 . 17481 1 1470 . 1 1 130 130 ALA HB3 H 1 1.184 0.020 . 1 . . . A 130 ALA HB3 . 17481 1 1471 . 1 1 130 130 ALA C C 13 178.151 0.300 . 1 . . . A 130 ALA C . 17481 1 1472 . 1 1 130 130 ALA CA C 13 54.510 0.300 . 1 . . . A 130 ALA CA . 17481 1 1473 . 1 1 130 130 ALA CB C 13 17.622 0.300 . 1 . . . A 130 ALA CB . 17481 1 1474 . 1 1 130 130 ALA N N 15 122.087 0.300 . 1 . . . A 130 ALA N . 17481 1 1475 . 1 1 131 131 GLN H H 1 8.061 0.020 . 1 . . . A 131 GLN H . 17481 1 1476 . 1 1 131 131 GLN HA H 1 3.621 0.020 . 1 . . . A 131 GLN HA . 17481 1 1477 . 1 1 131 131 GLN HB2 H 1 2.066 0.020 . 1 . . . A 131 GLN HB2 . 17481 1 1478 . 1 1 131 131 GLN HB3 H 1 2.066 0.020 . 1 . . . A 131 GLN HB3 . 17481 1 1479 . 1 1 131 131 GLN HG2 H 1 2.405 0.020 . 1 . . . A 131 GLN HG2 . 17481 1 1480 . 1 1 131 131 GLN HG3 H 1 2.364 0.020 . 1 . . . A 131 GLN HG3 . 17481 1 1481 . 1 1 131 131 GLN HE21 H 1 7.950 0.020 . 1 . . . A 131 GLN HE21 . 17481 1 1482 . 1 1 131 131 GLN HE22 H 1 6.795 0.020 . 1 . . . A 131 GLN HE22 . 17481 1 1483 . 1 1 131 131 GLN C C 13 177.389 0.300 . 1 . . . A 131 GLN C . 17481 1 1484 . 1 1 131 131 GLN CA C 13 58.056 0.300 . 1 . . . A 131 GLN CA . 17481 1 1485 . 1 1 131 131 GLN CB C 13 28.322 0.300 . 1 . . . A 131 GLN CB . 17481 1 1486 . 1 1 131 131 GLN CG C 13 33.179 0.300 . 1 . . . A 131 GLN CG . 17481 1 1487 . 1 1 131 131 GLN N N 15 116.985 0.300 . 1 . . . A 131 GLN N . 17481 1 1488 . 1 1 131 131 GLN NE2 N 15 116.473 0.300 . 1 . . . A 131 GLN NE2 . 17481 1 1489 . 1 1 132 132 GLN H H 1 8.291 0.020 . 1 . . . A 132 GLN H . 17481 1 1490 . 1 1 132 132 GLN HA H 1 4.062 0.020 . 1 . . . A 132 GLN HA . 17481 1 1491 . 1 1 132 132 GLN HB2 H 1 2.091 0.020 . 1 . . . A 132 GLN HB2 . 17481 1 1492 . 1 1 132 132 GLN HB3 H 1 2.091 0.020 . 1 . . . A 132 GLN HB3 . 17481 1 1493 . 1 1 132 132 GLN HG2 H 1 2.472 0.020 . 2 . . . A 132 GLN HG2 . 17481 1 1494 . 1 1 132 132 GLN HG3 H 1 2.374 0.020 . 2 . . . A 132 GLN HG3 . 17481 1 1495 . 1 1 132 132 GLN HE21 H 1 7.417 0.020 . 2 . . . A 132 GLN HE21 . 17481 1 1496 . 1 1 132 132 GLN HE22 H 1 6.843 0.020 . 2 . . . A 132 GLN HE22 . 17481 1 1497 . 1 1 132 132 GLN C C 13 177.623 0.300 . 1 . . . A 132 GLN C . 17481 1 1498 . 1 1 132 132 GLN CA C 13 58.959 0.300 . 1 . . . A 132 GLN CA . 17481 1 1499 . 1 1 132 132 GLN CB C 13 28.333 0.300 . 1 . . . A 132 GLN CB . 17481 1 1500 . 1 1 132 132 GLN CG C 13 34.178 0.300 . 1 . . . A 132 GLN CG . 17481 1 1501 . 1 1 132 132 GLN N N 15 118.890 0.300 . 1 . . . A 132 GLN N . 17481 1 1502 . 1 1 132 132 GLN NE2 N 15 111.651 0.300 . 1 . . . A 132 GLN NE2 . 17481 1 1503 . 1 1 133 133 ALA H H 1 7.280 0.020 . 1 . . . A 133 ALA H . 17481 1 1504 . 1 1 133 133 ALA HA H 1 4.093 0.020 . 1 . . . A 133 ALA HA . 17481 1 1505 . 1 1 133 133 ALA HB1 H 1 1.309 0.020 . 1 . . . A 133 ALA HB1 . 17481 1 1506 . 1 1 133 133 ALA HB2 H 1 1.309 0.020 . 1 . . . A 133 ALA HB2 . 17481 1 1507 . 1 1 133 133 ALA HB3 H 1 1.309 0.020 . 1 . . . A 133 ALA HB3 . 17481 1 1508 . 1 1 133 133 ALA C C 13 180.436 0.300 . 1 . . . A 133 ALA C . 17481 1 1509 . 1 1 133 133 ALA CA C 13 55.468 0.300 . 1 . . . A 133 ALA CA . 17481 1 1510 . 1 1 133 133 ALA CB C 13 18.057 0.300 . 1 . . . A 133 ALA CB . 17481 1 1511 . 1 1 133 133 ALA N N 15 120.997 0.300 . 1 . . . A 133 ALA N . 17481 1 1512 . 1 1 134 134 ILE H H 1 7.479 0.020 . 1 . . . A 134 ILE H . 17481 1 1513 . 1 1 134 134 ILE HA H 1 4.627 0.020 . 1 . . . A 134 ILE HA . 17481 1 1514 . 1 1 134 134 ILE HB H 1 2.240 0.020 . 1 . . . A 134 ILE HB . 17481 1 1515 . 1 1 134 134 ILE HG12 H 1 1.531 0.020 . 2 . . . A 134 ILE HG12 . 17481 1 1516 . 1 1 134 134 ILE HG13 H 1 1.280 0.020 . 2 . . . A 134 ILE HG13 . 17481 1 1517 . 1 1 134 134 ILE HG21 H 1 0.960 0.020 . 1 . . . A 134 ILE HG21 . 17481 1 1518 . 1 1 134 134 ILE HG22 H 1 0.960 0.020 . 1 . . . A 134 ILE HG22 . 17481 1 1519 . 1 1 134 134 ILE HG23 H 1 0.960 0.020 . 1 . . . A 134 ILE HG23 . 17481 1 1520 . 1 1 134 134 ILE HD11 H 1 0.744 0.020 . 1 . . . A 134 ILE HD11 . 17481 1 1521 . 1 1 134 134 ILE HD12 H 1 0.744 0.020 . 1 . . . A 134 ILE HD12 . 17481 1 1522 . 1 1 134 134 ILE HD13 H 1 0.744 0.020 . 1 . . . A 134 ILE HD13 . 17481 1 1523 . 1 1 134 134 ILE C C 13 181.139 0.300 . 1 . . . A 134 ILE C . 17481 1 1524 . 1 1 134 134 ILE CA C 13 63.647 0.300 . 1 . . . A 134 ILE CA . 17481 1 1525 . 1 1 134 134 ILE CB C 13 36.518 0.300 . 1 . . . A 134 ILE CB . 17481 1 1526 . 1 1 134 134 ILE CG1 C 13 28.220 0.300 . 1 . . . A 134 ILE CG1 . 17481 1 1527 . 1 1 134 134 ILE CG2 C 13 16.846 0.300 . 1 . . . A 134 ILE CG2 . 17481 1 1528 . 1 1 134 134 ILE CD1 C 13 11.866 0.300 . 1 . . . A 134 ILE CD1 . 17481 1 1529 . 1 1 134 134 ILE N N 15 119.122 0.300 . 1 . . . A 134 ILE N . 17481 1 1530 . 1 1 135 135 ASP H H 1 8.905 0.020 . 1 . . . A 135 ASP H . 17481 1 1531 . 1 1 135 135 ASP HA H 1 4.390 0.020 . 1 . . . A 135 ASP HA . 17481 1 1532 . 1 1 135 135 ASP HB2 H 1 2.829 0.020 . 2 . . . A 135 ASP HB2 . 17481 1 1533 . 1 1 135 135 ASP HB3 H 1 2.727 0.020 . 2 . . . A 135 ASP HB3 . 17481 1 1534 . 1 1 135 135 ASP C C 13 177.858 0.300 . 1 . . . A 135 ASP C . 17481 1 1535 . 1 1 135 135 ASP CA C 13 57.480 0.300 . 1 . . . A 135 ASP CA . 17481 1 1536 . 1 1 135 135 ASP CB C 13 40.058 0.300 . 1 . . . A 135 ASP CB . 17481 1 1537 . 1 1 135 135 ASP N N 15 124.248 0.300 . 1 . . . A 135 ASP N . 17481 1 1538 . 1 1 136 136 MET H H 1 8.116 0.020 . 1 . . . A 136 MET H . 17481 1 1539 . 1 1 136 136 MET HA H 1 4.544 0.020 . 1 . . . A 136 MET HA . 17481 1 1540 . 1 1 136 136 MET HB2 H 1 2.323 0.020 . 2 . . . A 136 MET HB2 . 17481 1 1541 . 1 1 136 136 MET HB3 H 1 2.182 0.020 . 2 . . . A 136 MET HB3 . 17481 1 1542 . 1 1 136 136 MET HG2 H 1 2.215 0.020 . 2 . . . A 136 MET HG2 . 17481 1 1543 . 1 1 136 136 MET HG3 H 1 1.921 0.020 . 2 . . . A 136 MET HG3 . 17481 1 1544 . 1 1 136 136 MET HE1 H 1 2.104 0.020 . 1 . . . A 136 MET HE1 . 17481 1 1545 . 1 1 136 136 MET HE2 H 1 2.104 0.020 . 1 . . . A 136 MET HE2 . 17481 1 1546 . 1 1 136 136 MET HE3 H 1 2.104 0.020 . 1 . . . A 136 MET HE3 . 17481 1 1547 . 1 1 136 136 MET C C 13 177.037 0.300 . 1 . . . A 136 MET C . 17481 1 1548 . 1 1 136 136 MET CA C 13 55.521 0.300 . 1 . . . A 136 MET CA . 17481 1 1549 . 1 1 136 136 MET CB C 13 32.477 0.300 . 1 . . . A 136 MET CB . 17481 1 1550 . 1 1 136 136 MET CE C 13 16.813 0.300 . 1 . . . A 136 MET CE . 17481 1 1551 . 1 1 136 136 MET N N 15 117.353 0.300 . 1 . . . A 136 MET N . 17481 1 1552 . 1 1 137 137 GLY H H 1 7.959 0.020 . 1 . . . A 137 GLY H . 17481 1 1553 . 1 1 137 137 GLY HA2 H 1 4.318 0.020 . 2 . . . A 137 GLY HA2 . 17481 1 1554 . 1 1 137 137 GLY HA3 H 1 4.153 0.020 . 2 . . . A 137 GLY HA3 . 17481 1 1555 . 1 1 137 137 GLY C C 13 176.627 0.300 . 1 . . . A 137 GLY C . 17481 1 1556 . 1 1 137 137 GLY CA C 13 46.933 0.300 . 1 . . . A 137 GLY CA . 17481 1 1557 . 1 1 137 137 GLY N N 15 107.119 0.300 . 1 . . . A 137 GLY N . 17481 1 1558 . 1 1 138 138 VAL H H 1 7.959 0.020 . 1 . . . A 138 VAL H . 17481 1 1559 . 1 1 138 138 VAL HA H 1 4.087 0.020 . 1 . . . A 138 VAL HA . 17481 1 1560 . 1 1 138 138 VAL HB H 1 2.199 0.020 . 1 . . . A 138 VAL HB . 17481 1 1561 . 1 1 138 138 VAL HG11 H 1 0.930 0.020 . 1 . . . A 138 VAL HG11 . 17481 1 1562 . 1 1 138 138 VAL HG12 H 1 0.930 0.020 . 1 . . . A 138 VAL HG12 . 17481 1 1563 . 1 1 138 138 VAL HG13 H 1 0.930 0.020 . 1 . . . A 138 VAL HG13 . 17481 1 1564 . 1 1 138 138 VAL HG21 H 1 1.065 0.020 . 1 . . . A 138 VAL HG21 . 17481 1 1565 . 1 1 138 138 VAL HG22 H 1 1.065 0.020 . 1 . . . A 138 VAL HG22 . 17481 1 1566 . 1 1 138 138 VAL HG23 H 1 1.065 0.020 . 1 . . . A 138 VAL HG23 . 17481 1 1567 . 1 1 138 138 VAL C C 13 175.982 0.300 . 1 . . . A 138 VAL C . 17481 1 1568 . 1 1 138 138 VAL CA C 13 65.018 0.300 . 1 . . . A 138 VAL CA . 17481 1 1569 . 1 1 138 138 VAL CB C 13 31.156 0.300 . 1 . . . A 138 VAL CB . 17481 1 1570 . 1 1 138 138 VAL CG1 C 13 20.513 0.300 . 1 . . . A 138 VAL CG1 . 17481 1 1571 . 1 1 138 138 VAL CG2 C 13 21.960 0.300 . 1 . . . A 138 VAL CG2 . 17481 1 1572 . 1 1 138 138 VAL N N 15 121.008 0.300 . 1 . . . A 138 VAL N . 17481 1 1573 . 1 1 139 139 GLU H H 1 8.931 0.020 . 1 . . . A 139 GLU H . 17481 1 1574 . 1 1 139 139 GLU HA H 1 3.844 0.020 . 1 . . . A 139 GLU HA . 17481 1 1575 . 1 1 139 139 GLU HB2 H 1 2.068 0.020 . 1 . . . A 139 GLU HB2 . 17481 1 1576 . 1 1 139 139 GLU HB3 H 1 2.068 0.020 . 1 . . . A 139 GLU HB3 . 17481 1 1577 . 1 1 139 139 GLU HG2 H 1 2.418 0.020 . 2 . . . A 139 GLU HG2 . 17481 1 1578 . 1 1 139 139 GLU HG3 H 1 2.337 0.020 . 2 . . . A 139 GLU HG3 . 17481 1 1579 . 1 1 139 139 GLU C C 13 177.682 0.300 . 1 . . . A 139 GLU C . 17481 1 1580 . 1 1 139 139 GLU CA C 13 60.220 0.300 . 1 . . . A 139 GLU CA . 17481 1 1581 . 1 1 139 139 GLU CB C 13 29.866 0.300 . 1 . . . A 139 GLU CB . 17481 1 1582 . 1 1 139 139 GLU CG C 13 36.264 0.300 . 1 . . . A 139 GLU CG . 17481 1 1583 . 1 1 139 139 GLU N N 15 122.013 0.300 . 1 . . . A 139 GLU N . 17481 1 1584 . 1 1 140 140 THR H H 1 7.794 0.020 . 1 . . . A 140 THR H . 17481 1 1585 . 1 1 140 140 THR HA H 1 4.097 0.020 . 1 . . . A 140 THR HA . 17481 1 1586 . 1 1 140 140 THR HB H 1 4.286 0.020 . 1 . . . A 140 THR HB . 17481 1 1587 . 1 1 140 140 THR HG21 H 1 1.313 0.020 . 1 . . . A 140 THR HG21 . 17481 1 1588 . 1 1 140 140 THR HG22 H 1 1.313 0.020 . 1 . . . A 140 THR HG22 . 17481 1 1589 . 1 1 140 140 THR HG23 H 1 1.313 0.020 . 1 . . . A 140 THR HG23 . 17481 1 1590 . 1 1 140 140 THR C C 13 177.623 0.300 . 1 . . . A 140 THR C . 17481 1 1591 . 1 1 140 140 THR CA C 13 65.834 0.300 . 1 . . . A 140 THR CA . 17481 1 1592 . 1 1 140 140 THR CB C 13 68.779 0.300 . 1 . . . A 140 THR CB . 17481 1 1593 . 1 1 140 140 THR CG2 C 13 22.188 0.300 . 1 . . . A 140 THR CG2 . 17481 1 1594 . 1 1 140 140 THR N N 15 114.982 0.300 . 1 . . . A 140 THR N . 17481 1 1595 . 1 1 141 141 GLY H H 1 8.034 0.020 . 1 . . . A 141 GLY H . 17481 1 1596 . 1 1 141 141 GLY HA2 H 1 3.979 0.020 . 2 . . . A 141 GLY HA2 . 17481 1 1597 . 1 1 141 141 GLY HA3 H 1 3.870 0.020 . 2 . . . A 141 GLY HA3 . 17481 1 1598 . 1 1 141 141 GLY C C 13 176.686 0.300 . 1 . . . A 141 GLY C . 17481 1 1599 . 1 1 141 141 GLY CA C 13 47.467 0.300 . 1 . . . A 141 GLY CA . 17481 1 1600 . 1 1 141 141 GLY N N 15 110.889 0.300 . 1 . . . A 141 GLY N . 17481 1 1601 . 1 1 142 142 MET H H 1 8.417 0.020 . 1 . . . A 142 MET H . 17481 1 1602 . 1 1 142 142 MET HA H 1 3.992 0.020 . 1 . . . A 142 MET HA . 17481 1 1603 . 1 1 142 142 MET HB2 H 1 1.519 0.020 . 1 . . . A 142 MET HB2 . 17481 1 1604 . 1 1 142 142 MET HB3 H 1 1.162 0.020 . 1 . . . A 142 MET HB3 . 17481 1 1605 . 1 1 142 142 MET HG2 H 1 2.370 0.020 . 2 . . . A 142 MET HG2 . 17481 1 1606 . 1 1 142 142 MET HG3 H 1 1.994 0.020 . 2 . . . A 142 MET HG3 . 17481 1 1607 . 1 1 142 142 MET HE1 H 1 1.833 0.020 . 1 . . . A 142 MET HE1 . 17481 1 1608 . 1 1 142 142 MET HE2 H 1 1.833 0.020 . 1 . . . A 142 MET HE2 . 17481 1 1609 . 1 1 142 142 MET HE3 H 1 1.833 0.020 . 1 . . . A 142 MET HE3 . 17481 1 1610 . 1 1 142 142 MET C C 13 178.502 0.300 . 1 . . . A 142 MET C . 17481 1 1611 . 1 1 142 142 MET CA C 13 59.161 0.300 . 1 . . . A 142 MET CA . 17481 1 1612 . 1 1 142 142 MET CB C 13 31.973 0.300 . 1 . . . A 142 MET CB . 17481 1 1613 . 1 1 142 142 MET CG C 13 32.496 0.300 . 1 . . . A 142 MET CG . 17481 1 1614 . 1 1 142 142 MET CE C 13 16.784 0.300 . 1 . . . A 142 MET CE . 17481 1 1615 . 1 1 142 142 MET N N 15 122.570 0.300 . 1 . . . A 142 MET N . 17481 1 1616 . 1 1 143 143 ASN H H 1 8.386 0.020 . 1 . . . A 143 ASN H . 17481 1 1617 . 1 1 143 143 ASN HA H 1 4.503 0.020 . 1 . . . A 143 ASN HA . 17481 1 1618 . 1 1 143 143 ASN HB2 H 1 3.014 0.020 . 2 . . . A 143 ASN HB2 . 17481 1 1619 . 1 1 143 143 ASN HB3 H 1 2.806 0.020 . 2 . . . A 143 ASN HB3 . 17481 1 1620 . 1 1 143 143 ASN HD21 H 1 7.753 0.020 . 1 . . . A 143 ASN HD21 . 17481 1 1621 . 1 1 143 143 ASN HD22 H 1 7.405 0.020 . 1 . . . A 143 ASN HD22 . 17481 1 1622 . 1 1 143 143 ASN C C 13 177.565 0.300 . 1 . . . A 143 ASN C . 17481 1 1623 . 1 1 143 143 ASN CA C 13 56.771 0.300 . 1 . . . A 143 ASN CA . 17481 1 1624 . 1 1 143 143 ASN CB C 13 39.025 0.300 . 1 . . . A 143 ASN CB . 17481 1 1625 . 1 1 143 143 ASN N N 15 117.122 0.300 . 1 . . . A 143 ASN N . 17481 1 1626 . 1 1 143 143 ASN ND2 N 15 115.248 0.300 . 1 . . . A 143 ASN ND2 . 17481 1 1627 . 1 1 144 144 SER H H 1 8.308 0.020 . 1 . . . A 144 SER H . 17481 1 1628 . 1 1 144 144 SER HA H 1 4.295 0.020 . 1 . . . A 144 SER HA . 17481 1 1629 . 1 1 144 144 SER HB2 H 1 4.186 0.020 . 1 . . . A 144 SER HB2 . 17481 1 1630 . 1 1 144 144 SER HB3 H 1 4.081 0.020 . 1 . . . A 144 SER HB3 . 17481 1 1631 . 1 1 144 144 SER C C 13 177.565 0.300 . 1 . . . A 144 SER C . 17481 1 1632 . 1 1 144 144 SER CA C 13 61.986 0.300 . 1 . . . A 144 SER CA . 17481 1 1633 . 1 1 144 144 SER CB C 13 63.523 0.300 . 1 . . . A 144 SER CB . 17481 1 1634 . 1 1 144 144 SER N N 15 114.735 0.300 . 1 . . . A 144 SER N . 17481 1 1635 . 1 1 145 145 THR H H 1 7.859 0.020 . 1 . . . A 145 THR H . 17481 1 1636 . 1 1 145 145 THR HA H 1 4.178 0.020 . 1 . . . A 145 THR HA . 17481 1 1637 . 1 1 145 145 THR HB H 1 4.087 0.020 . 1 . . . A 145 THR HB . 17481 1 1638 . 1 1 145 145 THR HG21 H 1 0.828 0.020 . 1 . . . A 145 THR HG21 . 17481 1 1639 . 1 1 145 145 THR HG22 H 1 0.828 0.020 . 1 . . . A 145 THR HG22 . 17481 1 1640 . 1 1 145 145 THR HG23 H 1 0.828 0.020 . 1 . . . A 145 THR HG23 . 17481 1 1641 . 1 1 145 145 THR C C 13 177.213 0.300 . 1 . . . A 145 THR C . 17481 1 1642 . 1 1 145 145 THR CA C 13 66.576 0.300 . 1 . . . A 145 THR CA . 17481 1 1643 . 1 1 145 145 THR CB C 13 68.807 0.300 . 1 . . . A 145 THR CB . 17481 1 1644 . 1 1 145 145 THR CG2 C 13 21.711 0.300 . 1 . . . A 145 THR CG2 . 17481 1 1645 . 1 1 145 145 THR N N 15 118.808 0.300 . 1 . . . A 145 THR N . 17481 1 1646 . 1 1 146 146 LEU H H 1 8.355 0.020 . 1 . . . A 146 LEU H . 17481 1 1647 . 1 1 146 146 LEU HA H 1 4.345 0.020 . 1 . . . A 146 LEU HA . 17481 1 1648 . 1 1 146 146 LEU HB2 H 1 2.180 0.020 . 2 . . . A 146 LEU HB2 . 17481 1 1649 . 1 1 146 146 LEU HB3 H 1 1.650 0.020 . 2 . . . A 146 LEU HB3 . 17481 1 1650 . 1 1 146 146 LEU HG H 1 1.980 0.020 . 1 . . . A 146 LEU HG . 17481 1 1651 . 1 1 146 146 LEU HD11 H 1 1.057 0.020 . 1 . . . A 146 LEU HD11 . 17481 1 1652 . 1 1 146 146 LEU HD12 H 1 1.057 0.020 . 1 . . . A 146 LEU HD12 . 17481 1 1653 . 1 1 146 146 LEU HD13 H 1 1.057 0.020 . 1 . . . A 146 LEU HD13 . 17481 1 1654 . 1 1 146 146 LEU HD21 H 1 1.151 0.020 . 1 . . . A 146 LEU HD21 . 17481 1 1655 . 1 1 146 146 LEU HD22 H 1 1.151 0.020 . 1 . . . A 146 LEU HD22 . 17481 1 1656 . 1 1 146 146 LEU HD23 H 1 1.151 0.020 . 1 . . . A 146 LEU HD23 . 17481 1 1657 . 1 1 146 146 LEU C C 13 179.557 0.300 . 1 . . . A 146 LEU C . 17481 1 1658 . 1 1 146 146 LEU CA C 13 58.308 0.300 . 1 . . . A 146 LEU CA . 17481 1 1659 . 1 1 146 146 LEU CB C 13 41.258 0.300 . 1 . . . A 146 LEU CB . 17481 1 1660 . 1 1 146 146 LEU CG C 13 28.610 0.300 . 1 . . . A 146 LEU CG . 17481 1 1661 . 1 1 146 146 LEU CD1 C 13 26.876 0.300 . 1 . . . A 146 LEU CD1 . 17481 1 1662 . 1 1 146 146 LEU CD2 C 13 23.593 0.300 . 1 . . . A 146 LEU CD2 . 17481 1 1663 . 1 1 146 146 LEU N N 15 121.798 0.300 . 1 . . . A 146 LEU N . 17481 1 1664 . 1 1 147 147 ASN H H 1 8.433 0.020 . 1 . . . A 147 ASN H . 17481 1 1665 . 1 1 147 147 ASN HA H 1 4.602 0.020 . 1 . . . A 147 ASN HA . 17481 1 1666 . 1 1 147 147 ASN HB2 H 1 3.361 0.020 . 2 . . . A 147 ASN HB2 . 17481 1 1667 . 1 1 147 147 ASN HB3 H 1 2.922 0.020 . 2 . . . A 147 ASN HB3 . 17481 1 1668 . 1 1 147 147 ASN HD21 H 1 7.806 0.020 . 2 . . . A 147 ASN HD21 . 17481 1 1669 . 1 1 147 147 ASN HD22 H 1 6.959 0.020 . 2 . . . A 147 ASN HD22 . 17481 1 1670 . 1 1 147 147 ASN C C 13 179.029 0.300 . 1 . . . A 147 ASN C . 17481 1 1671 . 1 1 147 147 ASN CA C 13 55.521 0.300 . 1 . . . A 147 ASN CA . 17481 1 1672 . 1 1 147 147 ASN CB C 13 37.253 0.300 . 1 . . . A 147 ASN CB . 17481 1 1673 . 1 1 147 147 ASN N N 15 119.966 0.300 . 1 . . . A 147 ASN N . 17481 1 1674 . 1 1 147 147 ASN ND2 N 15 111.109 0.300 . 1 . . . A 147 ASN ND2 . 17481 1 1675 . 1 1 148 148 GLN H H 1 7.928 0.020 . 1 . . . A 148 GLN H . 17481 1 1676 . 1 1 148 148 GLN HA H 1 4.162 0.020 . 1 . . . A 148 GLN HA . 17481 1 1677 . 1 1 148 148 GLN HB2 H 1 2.318 0.020 . 1 . . . A 148 GLN HB2 . 17481 1 1678 . 1 1 148 148 GLN HB3 H 1 3.160 0.020 . 1 . . . A 148 GLN HB3 . 17481 1 1679 . 1 1 148 148 GLN HG2 H 1 2.868 0.020 . 2 . . . A 148 GLN HG2 . 17481 1 1680 . 1 1 148 148 GLN HG3 H 1 2.469 0.020 . 2 . . . A 148 GLN HG3 . 17481 1 1681 . 1 1 148 148 GLN HE21 H 1 7.494 0.020 . 1 . . . A 148 GLN HE21 . 17481 1 1682 . 1 1 148 148 GLN HE22 H 1 6.900 0.020 . 1 . . . A 148 GLN HE22 . 17481 1 1683 . 1 1 148 148 GLN C C 13 179.322 0.300 . 1 . . . A 148 GLN C . 17481 1 1684 . 1 1 148 148 GLN CA C 13 57.879 0.300 . 1 . . . A 148 GLN CA . 17481 1 1685 . 1 1 148 148 GLN CB C 13 27.757 0.300 . 1 . . . A 148 GLN CB . 17481 1 1686 . 1 1 148 148 GLN CG C 13 34.102 0.300 . 1 . . . A 148 GLN CG . 17481 1 1687 . 1 1 148 148 GLN N N 15 119.965 0.300 . 1 . . . A 148 GLN N . 17481 1 1688 . 1 1 148 148 GLN NE2 N 15 112.660 0.300 . 1 . . . A 148 GLN NE2 . 17481 1 1689 . 1 1 149 149 LEU H H 1 7.280 0.020 . 1 . . . A 149 LEU H . 17481 1 1690 . 1 1 149 149 LEU HA H 1 3.367 0.020 . 1 . . . A 149 LEU HA . 17481 1 1691 . 1 1 149 149 LEU HB2 H 1 0.059 0.020 . 1 . . . A 149 LEU HB2 . 17481 1 1692 . 1 1 149 149 LEU HB3 H 1 1.523 0.020 . 1 . . . A 149 LEU HB3 . 17481 1 1693 . 1 1 149 149 LEU HG H 1 -0.303 0.020 . 1 . . . A 149 LEU HG . 17481 1 1694 . 1 1 149 149 LEU HD11 H 1 -0.594 0.020 . 1 . . . A 149 LEU HD11 . 17481 1 1695 . 1 1 149 149 LEU HD12 H 1 -0.594 0.020 . 1 . . . A 149 LEU HD12 . 17481 1 1696 . 1 1 149 149 LEU HD13 H 1 -0.594 0.020 . 1 . . . A 149 LEU HD13 . 17481 1 1697 . 1 1 149 149 LEU HD21 H 1 -0.303 0.020 . 1 . . . A 149 LEU HD21 . 17481 1 1698 . 1 1 149 149 LEU HD22 H 1 -0.303 0.020 . 1 . . . A 149 LEU HD22 . 17481 1 1699 . 1 1 149 149 LEU HD23 H 1 -0.303 0.020 . 1 . . . A 149 LEU HD23 . 17481 1 1700 . 1 1 149 149 LEU C C 13 177.272 0.300 . 1 . . . A 149 LEU C . 17481 1 1701 . 1 1 149 149 LEU CA C 13 57.785 0.300 . 1 . . . A 149 LEU CA . 17481 1 1702 . 1 1 149 149 LEU CB C 13 38.646 0.300 . 1 . . . A 149 LEU CB . 17481 1 1703 . 1 1 149 149 LEU CG C 13 25.397 0.300 . 1 . . . A 149 LEU CG . 17481 1 1704 . 1 1 149 149 LEU CD1 C 13 22.023 0.300 . 1 . . . A 149 LEU CD1 . 17481 1 1705 . 1 1 149 149 LEU CD2 C 13 25.133 0.300 . 1 . . . A 149 LEU CD2 . 17481 1 1706 . 1 1 149 149 LEU N N 15 123.627 0.300 . 1 . . . A 149 LEU N . 17481 1 1707 . 1 1 150 150 GLU H H 1 8.020 0.020 . 1 . . . A 150 GLU H . 17481 1 1708 . 1 1 150 150 GLU HA H 1 3.748 0.020 . 1 . . . A 150 GLU HA . 17481 1 1709 . 1 1 150 150 GLU HB2 H 1 2.274 0.020 . 1 . . . A 150 GLU HB2 . 17481 1 1710 . 1 1 150 150 GLU HB3 H 1 2.323 0.020 . 1 . . . A 150 GLU HB3 . 17481 1 1711 . 1 1 150 150 GLU HG2 H 1 2.394 0.020 . 2 . . . A 150 GLU HG2 . 17481 1 1712 . 1 1 150 150 GLU HG3 H 1 2.346 0.020 . 2 . . . A 150 GLU HG3 . 17481 1 1713 . 1 1 150 150 GLU C C 13 177.799 0.300 . 1 . . . A 150 GLU C . 17481 1 1714 . 1 1 150 150 GLU CA C 13 60.476 0.300 . 1 . . . A 150 GLU CA . 17481 1 1715 . 1 1 150 150 GLU CB C 13 30.017 0.300 . 1 . . . A 150 GLU CB . 17481 1 1716 . 1 1 150 150 GLU CG C 13 36.536 0.300 . 1 . . . A 150 GLU CG . 17481 1 1717 . 1 1 150 150 GLU N N 15 119.383 0.300 . 1 . . . A 150 GLU N . 17481 1 1718 . 1 1 151 151 LYS H H 1 7.416 0.020 . 1 . . . A 151 LYS H . 17481 1 1719 . 1 1 151 151 LYS HA H 1 4.028 0.020 . 1 . . . A 151 LYS HA . 17481 1 1720 . 1 1 151 151 LYS HB2 H 1 1.908 0.020 . 1 . . . A 151 LYS HB2 . 17481 1 1721 . 1 1 151 151 LYS HB3 H 1 1.908 0.020 . 1 . . . A 151 LYS HB3 . 17481 1 1722 . 1 1 151 151 LYS HG2 H 1 1.641 0.020 . 2 . . . A 151 LYS HG2 . 17481 1 1723 . 1 1 151 151 LYS HG3 H 1 1.455 0.020 . 2 . . . A 151 LYS HG3 . 17481 1 1724 . 1 1 151 151 LYS HD2 H 1 1.743 0.020 . 1 . . . A 151 LYS HD2 . 17481 1 1725 . 1 1 151 151 LYS HD3 H 1 1.743 0.020 . 1 . . . A 151 LYS HD3 . 17481 1 1726 . 1 1 151 151 LYS HE2 H 1 3.115 0.020 . 1 . . . A 151 LYS HE2 . 17481 1 1727 . 1 1 151 151 LYS HE3 H 1 3.115 0.020 . 1 . . . A 151 LYS HE3 . 17481 1 1728 . 1 1 151 151 LYS C C 13 178.854 0.300 . 1 . . . A 151 LYS C . 17481 1 1729 . 1 1 151 151 LYS CA C 13 59.633 0.300 . 1 . . . A 151 LYS CA . 17481 1 1730 . 1 1 151 151 LYS CB C 13 32.809 0.300 . 1 . . . A 151 LYS CB . 17481 1 1731 . 1 1 151 151 LYS CG C 13 25.450 0.300 . 1 . . . A 151 LYS CG . 17481 1 1732 . 1 1 151 151 LYS CD C 13 29.776 0.300 . 1 . . . A 151 LYS CD . 17481 1 1733 . 1 1 151 151 LYS CE C 13 42.456 0.300 . 1 . . . A 151 LYS CE . 17481 1 1734 . 1 1 151 151 LYS N N 15 116.783 0.300 . 1 . . . A 151 LYS N . 17481 1 1735 . 1 1 152 152 LEU H H 1 7.561 0.020 . 1 . . . A 152 LEU H . 17481 1 1736 . 1 1 152 152 LEU HA H 1 4.095 0.020 . 1 . . . A 152 LEU HA . 17481 1 1737 . 1 1 152 152 LEU HB2 H 1 1.558 0.020 . 1 . . . A 152 LEU HB2 . 17481 1 1738 . 1 1 152 152 LEU HB3 H 1 1.867 0.020 . 1 . . . A 152 LEU HB3 . 17481 1 1739 . 1 1 152 152 LEU HG H 1 1.470 0.020 . 1 . . . A 152 LEU HG . 17481 1 1740 . 1 1 152 152 LEU HD11 H 1 0.921 0.020 . 1 . . . A 152 LEU HD11 . 17481 1 1741 . 1 1 152 152 LEU HD12 H 1 0.921 0.020 . 1 . . . A 152 LEU HD12 . 17481 1 1742 . 1 1 152 152 LEU HD13 H 1 0.921 0.020 . 1 . . . A 152 LEU HD13 . 17481 1 1743 . 1 1 152 152 LEU HD21 H 1 0.800 0.020 . 1 . . . A 152 LEU HD21 . 17481 1 1744 . 1 1 152 152 LEU HD22 H 1 0.800 0.020 . 1 . . . A 152 LEU HD22 . 17481 1 1745 . 1 1 152 152 LEU HD23 H 1 0.800 0.020 . 1 . . . A 152 LEU HD23 . 17481 1 1746 . 1 1 152 152 LEU C C 13 179.440 0.300 . 1 . . . A 152 LEU C . 17481 1 1747 . 1 1 152 152 LEU CA C 13 58.192 0.300 . 1 . . . A 152 LEU CA . 17481 1 1748 . 1 1 152 152 LEU CB C 13 42.225 0.300 . 1 . . . A 152 LEU CB . 17481 1 1749 . 1 1 152 152 LEU CG C 13 26.943 0.300 . 1 . . . A 152 LEU CG . 17481 1 1750 . 1 1 152 152 LEU CD1 C 13 24.686 0.300 . 1 . . . A 152 LEU CD1 . 17481 1 1751 . 1 1 152 152 LEU CD2 C 13 26.943 0.300 . 1 . . . A 152 LEU CD2 . 17481 1 1752 . 1 1 152 152 LEU N N 15 121.530 0.300 . 1 . . . A 152 LEU N . 17481 1 1753 . 1 1 153 153 LEU H H 1 8.251 0.020 . 1 . . . A 153 LEU H . 17481 1 1754 . 1 1 153 153 LEU HA H 1 3.888 0.020 . 1 . . . A 153 LEU HA . 17481 1 1755 . 1 1 153 153 LEU HB2 H 1 1.791 0.020 . 1 . . . A 153 LEU HB2 . 17481 1 1756 . 1 1 153 153 LEU HB3 H 1 1.234 0.020 . 1 . . . A 153 LEU HB3 . 17481 1 1757 . 1 1 153 153 LEU HD11 H 1 0.238 0.020 . 1 . . . A 153 LEU HD11 . 17481 1 1758 . 1 1 153 153 LEU HD12 H 1 0.238 0.020 . 1 . . . A 153 LEU HD12 . 17481 1 1759 . 1 1 153 153 LEU HD13 H 1 0.238 0.020 . 1 . . . A 153 LEU HD13 . 17481 1 1760 . 1 1 153 153 LEU HD21 H 1 0.439 0.020 . 1 . . . A 153 LEU HD21 . 17481 1 1761 . 1 1 153 153 LEU HD22 H 1 0.439 0.020 . 1 . . . A 153 LEU HD22 . 17481 1 1762 . 1 1 153 153 LEU HD23 H 1 0.439 0.020 . 1 . . . A 153 LEU HD23 . 17481 1 1763 . 1 1 153 153 LEU C C 13 178.209 0.300 . 1 . . . A 153 LEU C . 17481 1 1764 . 1 1 153 153 LEU CA C 13 57.009 0.300 . 1 . . . A 153 LEU CA . 17481 1 1765 . 1 1 153 153 LEU CB C 13 41.696 0.300 . 1 . . . A 153 LEU CB . 17481 1 1766 . 1 1 153 153 LEU CD1 C 13 27.138 0.300 . 1 . . . A 153 LEU CD1 . 17481 1 1767 . 1 1 153 153 LEU CD2 C 13 21.848 0.300 . 1 . . . A 153 LEU CD2 . 17481 1 1768 . 1 1 153 153 LEU N N 15 117.640 0.300 . 1 . . . A 153 LEU N . 17481 1 1769 . 1 1 154 154 ASN H H 1 7.713 0.020 . 1 . . . A 154 ASN H . 17481 1 1770 . 1 1 154 154 ASN HA H 1 4.760 0.020 . 1 . . . A 154 ASN HA . 17481 1 1771 . 1 1 154 154 ASN HB2 H 1 2.931 0.020 . 2 . . . A 154 ASN HB2 . 17481 1 1772 . 1 1 154 154 ASN HB3 H 1 2.814 0.020 . 2 . . . A 154 ASN HB3 . 17481 1 1773 . 1 1 154 154 ASN HD21 H 1 7.608 0.020 . 1 . . . A 154 ASN HD21 . 17481 1 1774 . 1 1 154 154 ASN HD22 H 1 7.002 0.020 . 1 . . . A 154 ASN HD22 . 17481 1 1775 . 1 1 154 154 ASN C C 13 175.865 0.300 . 1 . . . A 154 ASN C . 17481 1 1776 . 1 1 154 154 ASN CA C 13 53.646 0.300 . 1 . . . A 154 ASN CA . 17481 1 1777 . 1 1 154 154 ASN CB C 13 38.958 0.300 . 1 . . . A 154 ASN CB . 17481 1 1778 . 1 1 154 154 ASN N N 15 116.232 0.300 . 1 . . . A 154 ASN N . 17481 1 1779 . 1 1 154 154 ASN ND2 N 15 112.103 0.300 . 1 . . . A 154 ASN ND2 . 17481 1 1780 . 1 1 155 155 GLN H H 1 7.764 0.020 . 1 . . . A 155 GLN H . 17481 1 1781 . 1 1 155 155 GLN HA H 1 4.211 0.020 . 1 . . . A 155 GLN HA . 17481 1 1782 . 1 1 155 155 GLN HB2 H 1 2.174 0.020 . 1 . . . A 155 GLN HB2 . 17481 1 1783 . 1 1 155 155 GLN HB3 H 1 2.174 0.020 . 1 . . . A 155 GLN HB3 . 17481 1 1784 . 1 1 155 155 GLN HG2 H 1 2.517 0.020 . 2 . . . A 155 GLN HG2 . 17481 1 1785 . 1 1 155 155 GLN HG3 H 1 2.442 0.020 . 2 . . . A 155 GLN HG3 . 17481 1 1786 . 1 1 155 155 GLN HE21 H 1 7.412 0.020 . 2 . . . A 155 GLN HE21 . 17481 1 1787 . 1 1 155 155 GLN HE22 H 1 7.124 0.020 . 2 . . . A 155 GLN HE22 . 17481 1 1788 . 1 1 155 155 GLN C C 13 176.334 0.300 . 1 . . . A 155 GLN C . 17481 1 1789 . 1 1 155 155 GLN CA C 13 57.084 0.300 . 1 . . . A 155 GLN CA . 17481 1 1790 . 1 1 155 155 GLN CB C 13 29.153 0.300 . 1 . . . A 155 GLN CB . 17481 1 1791 . 1 1 155 155 GLN CG C 13 34.226 0.300 . 1 . . . A 155 GLN CG . 17481 1 1792 . 1 1 155 155 GLN N N 15 119.994 0.300 . 1 . . . A 155 GLN N . 17481 1 1793 . 1 1 155 155 GLN NE2 N 15 109.479 0.300 . 1 . . . A 155 GLN NE2 . 17481 1 1794 . 1 1 156 156 LYS H H 1 8.315 0.020 . 1 . . . A 156 LYS H . 17481 1 1795 . 1 1 156 156 LYS HA H 1 4.336 0.020 . 1 . . . A 156 LYS HA . 17481 1 1796 . 1 1 156 156 LYS HB2 H 1 1.858 0.020 . 2 . . . A 156 LYS HB2 . 17481 1 1797 . 1 1 156 156 LYS HB3 H 1 1.750 0.020 . 2 . . . A 156 LYS HB3 . 17481 1 1798 . 1 1 156 156 LYS C C 13 176.510 0.300 . 1 . . . A 156 LYS C . 17481 1 1799 . 1 1 156 156 LYS CA C 13 56.146 0.300 . 1 . . . A 156 LYS CA . 17481 1 1800 . 1 1 156 156 LYS CB C 13 32.469 0.300 . 1 . . . A 156 LYS CB . 17481 1 1801 . 1 1 156 156 LYS CG C 13 24.666 0.300 . 1 . . . A 156 LYS CG . 17481 1 1802 . 1 1 156 156 LYS N N 15 121.035 0.300 . 1 . . . A 156 LYS N . 17481 1 1803 . 1 1 157 157 LEU H H 1 8.143 0.020 . 1 . . . A 157 LEU H . 17481 1 1804 . 1 1 157 157 LEU HA H 1 4.318 0.020 . 1 . . . A 157 LEU HA . 17481 1 1805 . 1 1 157 157 LEU HB2 H 1 1.608 0.020 . 1 . . . A 157 LEU HB2 . 17481 1 1806 . 1 1 157 157 LEU HB3 H 1 1.508 0.020 . 1 . . . A 157 LEU HB3 . 17481 1 1807 . 1 1 157 157 LEU HG H 1 1.601 0.020 . 1 . . . A 157 LEU HG . 17481 1 1808 . 1 1 157 157 LEU HD11 H 1 0.911 0.020 . 1 . . . A 157 LEU HD11 . 17481 1 1809 . 1 1 157 157 LEU HD12 H 1 0.911 0.020 . 1 . . . A 157 LEU HD12 . 17481 1 1810 . 1 1 157 157 LEU HD13 H 1 0.911 0.020 . 1 . . . A 157 LEU HD13 . 17481 1 1811 . 1 1 157 157 LEU HD21 H 1 0.840 0.020 . 1 . . . A 157 LEU HD21 . 17481 1 1812 . 1 1 157 157 LEU HD22 H 1 0.840 0.020 . 1 . . . A 157 LEU HD22 . 17481 1 1813 . 1 1 157 157 LEU HD23 H 1 0.840 0.020 . 1 . . . A 157 LEU HD23 . 17481 1 1814 . 1 1 157 157 LEU C C 13 177.213 0.300 . 1 . . . A 157 LEU C . 17481 1 1815 . 1 1 157 157 LEU CA C 13 55.355 0.300 . 1 . . . A 157 LEU CA . 17481 1 1816 . 1 1 157 157 LEU CB C 13 42.326 0.300 . 1 . . . A 157 LEU CB . 17481 1 1817 . 1 1 157 157 LEU CG C 13 26.915 0.300 . 1 . . . A 157 LEU CG . 17481 1 1818 . 1 1 157 157 LEU CD1 C 13 25.071 0.300 . 1 . . . A 157 LEU CD1 . 17481 1 1819 . 1 1 157 157 LEU CD2 C 13 23.450 0.300 . 1 . . . A 157 LEU CD2 . 17481 1 1820 . 1 1 157 157 LEU N N 15 123.065 0.300 . 1 . . . A 157 LEU N . 17481 1 1821 . 1 1 158 158 GLU H H 1 8.376 0.020 . 1 . . . A 158 GLU H . 17481 1 1822 . 1 1 158 158 GLU HA H 1 4.203 0.020 . 1 . . . A 158 GLU HA . 17481 1 1823 . 1 1 158 158 GLU HB2 H 1 1.874 0.020 . 1 . . . A 158 GLU HB2 . 17481 1 1824 . 1 1 158 158 GLU HB3 H 1 1.874 0.020 . 1 . . . A 158 GLU HB3 . 17481 1 1825 . 1 1 158 158 GLU HG2 H 1 2.199 0.020 . 2 . . . A 158 GLU HG2 . 17481 1 1826 . 1 1 158 158 GLU HG3 H 1 2.135 0.020 . 2 . . . A 158 GLU HG3 . 17481 1 1827 . 1 1 158 158 GLU C C 13 172.350 0.300 . 1 . . . A 158 GLU C . 17481 1 1828 . 1 1 158 158 GLU CA C 13 56.459 0.300 . 1 . . . A 158 GLU CA . 17481 1 1829 . 1 1 158 158 GLU CB C 13 30.208 0.300 . 1 . . . A 158 GLU CB . 17481 1 1830 . 1 1 158 158 GLU CG C 13 36.057 0.300 . 1 . . . A 158 GLU CG . 17481 1 1831 . 1 1 158 158 GLU N N 15 121.583 0.300 . 1 . . . A 158 GLU N . 17481 1 1832 . 1 1 159 159 HIS H H 1 8.226 0.020 . 1 . . . A 159 HIS H . 17481 1 1833 . 1 1 159 159 HIS CA C 13 54.896 0.300 . 1 . . . A 159 HIS CA . 17481 1 1834 . 1 1 159 159 HIS CB C 13 35.521 0.300 . 1 . . . A 159 HIS CB . 17481 1 1835 . 1 1 159 159 HIS N N 15 120.194 0.300 . 1 . . . A 159 HIS N . 17481 1 stop_ save_