data_25513 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25513 _Entry.Title ; SOLUTION STRUCTURE OF THE A147T VARIANT OF THE MITOCHONDRIAL TRANSLOCATOR PROTEIN (TSPO) IN COMPLEX WITH PK11195 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-04 _Entry.Accession_date 2015-03-04 _Entry.Last_release_date 2015-06-08 _Entry.Original_release_date 2015-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mariusz Jaremko . . . . 25513 2 Lukasz Jaremko . . . . 25513 3 Karin Giller . . . . 25513 4 Stefan Becker . . . . 25513 5 Markus Zweckstetter . . . . 25513 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25513 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID A147T . 25513 'MEMBRANE PROTEIN' . 25513 MITOCHONDRIA . 25513 'PERIPHERAL BENZODIAZEPINE RECEPTOR' . 25513 PK11195 . 25513 'PROTEIN-LIGAND COMPLEX' . 25513 'TRANSLOCATOR PROTEIN (TSPO)' . 25513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 588 25513 '15N chemical shifts' 171 25513 '1H chemical shifts' 1171 25513 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-29 2015-03-04 update BMRB 'update entry citation' 25513 1 . . 2015-06-08 2015-03-04 original author 'original release' 25513 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MGY . 25513 PDB 2N02 'BMRB Entry Tracking System' 25513 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25513 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25974690 _Citation.Full_citation . _Citation.Title ; Structural integrity of the A147T polymorph of mammalian TSPO ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 10 _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 1483 _Citation.Page_last 1489 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Jaremko . . . . 25513 1 2 L. Jaremko . . . . 25513 1 3 K. Giller . . . . 25513 1 4 S. Becker . . . . 25513 1 5 M. Zweckstetter . . . . 25513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25513 _Assembly.ID 1 _Assembly.Name 'TSPO A147T variant in complex with PK11195' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'TRANSLOCATOR PROTEIN A147T' 1 $TRANSLOCATOR_PROTEIN_A147T A . yes native no no . . . 25513 1 2 PKA 2 $entity_PKA B . no native no no . . . 25513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRANSLOCATOR_PROTEIN_A147T _Entity.Sf_category entity _Entity.Sf_framecode TRANSLOCATOR_PROTEIN_A147T _Entity.Entry_ID 25513 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRANSLOCATOR_PROTEIN_A147T _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 ; MPESWVPAVGLTLVPSLGGF MGAYFVRGEGLRWYAGLQKP SWHPPRWTLAPIWGTLYSAM GYGSYIVWKELGGFTEDAMV PLGLYTGQLALNWAWPPIFF GARQMGWALADLLLVSGVAT ATTLAWHRVSPPAARLLYPY LAWLAFTTVLNYYVWRDNSG RRGGSRLAE ; _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 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18828.873 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25513 1 2 2 PRO . 25513 1 3 3 GLU . 25513 1 4 4 SER . 25513 1 5 5 TRP . 25513 1 6 6 VAL . 25513 1 7 7 PRO . 25513 1 8 8 ALA . 25513 1 9 9 VAL . 25513 1 10 10 GLY . 25513 1 11 11 LEU . 25513 1 12 12 THR . 25513 1 13 13 LEU . 25513 1 14 14 VAL . 25513 1 15 15 PRO . 25513 1 16 16 SER . 25513 1 17 17 LEU . 25513 1 18 18 GLY . 25513 1 19 19 GLY . 25513 1 20 20 PHE . 25513 1 21 21 MET . 25513 1 22 22 GLY . 25513 1 23 23 ALA . 25513 1 24 24 TYR . 25513 1 25 25 PHE . 25513 1 26 26 VAL . 25513 1 27 27 ARG . 25513 1 28 28 GLY . 25513 1 29 29 GLU . 25513 1 30 30 GLY . 25513 1 31 31 LEU . 25513 1 32 32 ARG . 25513 1 33 33 TRP . 25513 1 34 34 TYR . 25513 1 35 35 ALA . 25513 1 36 36 GLY . 25513 1 37 37 LEU . 25513 1 38 38 GLN . 25513 1 39 39 LYS . 25513 1 40 40 PRO . 25513 1 41 41 SER . 25513 1 42 42 TRP . 25513 1 43 43 HIS . 25513 1 44 44 PRO . 25513 1 45 45 PRO . 25513 1 46 46 ARG . 25513 1 47 47 TRP . 25513 1 48 48 THR . 25513 1 49 49 LEU . 25513 1 50 50 ALA . 25513 1 51 51 PRO . 25513 1 52 52 ILE . 25513 1 53 53 TRP . 25513 1 54 54 GLY . 25513 1 55 55 THR . 25513 1 56 56 LEU . 25513 1 57 57 TYR . 25513 1 58 58 SER . 25513 1 59 59 ALA . 25513 1 60 60 MET . 25513 1 61 61 GLY . 25513 1 62 62 TYR . 25513 1 63 63 GLY . 25513 1 64 64 SER . 25513 1 65 65 TYR . 25513 1 66 66 ILE . 25513 1 67 67 VAL . 25513 1 68 68 TRP . 25513 1 69 69 LYS . 25513 1 70 70 GLU . 25513 1 71 71 LEU . 25513 1 72 72 GLY . 25513 1 73 73 GLY . 25513 1 74 74 PHE . 25513 1 75 75 THR . 25513 1 76 76 GLU . 25513 1 77 77 ASP . 25513 1 78 78 ALA . 25513 1 79 79 MET . 25513 1 80 80 VAL . 25513 1 81 81 PRO . 25513 1 82 82 LEU . 25513 1 83 83 GLY . 25513 1 84 84 LEU . 25513 1 85 85 TYR . 25513 1 86 86 THR . 25513 1 87 87 GLY . 25513 1 88 88 GLN . 25513 1 89 89 LEU . 25513 1 90 90 ALA . 25513 1 91 91 LEU . 25513 1 92 92 ASN . 25513 1 93 93 TRP . 25513 1 94 94 ALA . 25513 1 95 95 TRP . 25513 1 96 96 PRO . 25513 1 97 97 PRO . 25513 1 98 98 ILE . 25513 1 99 99 PHE . 25513 1 100 100 PHE . 25513 1 101 101 GLY . 25513 1 102 102 ALA . 25513 1 103 103 ARG . 25513 1 104 104 GLN . 25513 1 105 105 MET . 25513 1 106 106 GLY . 25513 1 107 107 TRP . 25513 1 108 108 ALA . 25513 1 109 109 LEU . 25513 1 110 110 ALA . 25513 1 111 111 ASP . 25513 1 112 112 LEU . 25513 1 113 113 LEU . 25513 1 114 114 LEU . 25513 1 115 115 VAL . 25513 1 116 116 SER . 25513 1 117 117 GLY . 25513 1 118 118 VAL . 25513 1 119 119 ALA . 25513 1 120 120 THR . 25513 1 121 121 ALA . 25513 1 122 122 THR . 25513 1 123 123 THR . 25513 1 124 124 LEU . 25513 1 125 125 ALA . 25513 1 126 126 TRP . 25513 1 127 127 HIS . 25513 1 128 128 ARG . 25513 1 129 129 VAL . 25513 1 130 130 SER . 25513 1 131 131 PRO . 25513 1 132 132 PRO . 25513 1 133 133 ALA . 25513 1 134 134 ALA . 25513 1 135 135 ARG . 25513 1 136 136 LEU . 25513 1 137 137 LEU . 25513 1 138 138 TYR . 25513 1 139 139 PRO . 25513 1 140 140 TYR . 25513 1 141 141 LEU . 25513 1 142 142 ALA . 25513 1 143 143 TRP . 25513 1 144 144 LEU . 25513 1 145 145 ALA . 25513 1 146 146 PHE . 25513 1 147 147 THR . 25513 1 148 148 THR . 25513 1 149 149 VAL . 25513 1 150 150 LEU . 25513 1 151 151 ASN . 25513 1 152 152 TYR . 25513 1 153 153 TYR . 25513 1 154 154 VAL . 25513 1 155 155 TRP . 25513 1 156 156 ARG . 25513 1 157 157 ASP . 25513 1 158 158 ASN . 25513 1 159 159 SER . 25513 1 160 160 GLY . 25513 1 161 161 ARG . 25513 1 162 162 ARG . 25513 1 163 163 GLY . 25513 1 164 164 GLY . 25513 1 165 165 SER . 25513 1 166 166 ARG . 25513 1 167 167 LEU . 25513 1 168 168 ALA . 25513 1 169 169 GLU . 25513 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 25513 1 . PRO 2 2 25513 1 . GLU 3 3 25513 1 . SER 4 4 25513 1 . TRP 5 5 25513 1 . VAL 6 6 25513 1 . PRO 7 7 25513 1 . ALA 8 8 25513 1 . VAL 9 9 25513 1 . GLY 10 10 25513 1 . LEU 11 11 25513 1 . THR 12 12 25513 1 . LEU 13 13 25513 1 . VAL 14 14 25513 1 . PRO 15 15 25513 1 . SER 16 16 25513 1 . LEU 17 17 25513 1 . GLY 18 18 25513 1 . GLY 19 19 25513 1 . PHE 20 20 25513 1 . MET 21 21 25513 1 . GLY 22 22 25513 1 . ALA 23 23 25513 1 . TYR 24 24 25513 1 . PHE 25 25 25513 1 . VAL 26 26 25513 1 . ARG 27 27 25513 1 . GLY 28 28 25513 1 . GLU 29 29 25513 1 . GLY 30 30 25513 1 . LEU 31 31 25513 1 . ARG 32 32 25513 1 . TRP 33 33 25513 1 . TYR 34 34 25513 1 . ALA 35 35 25513 1 . GLY 36 36 25513 1 . LEU 37 37 25513 1 . GLN 38 38 25513 1 . LYS 39 39 25513 1 . PRO 40 40 25513 1 . SER 41 41 25513 1 . TRP 42 42 25513 1 . HIS 43 43 25513 1 . PRO 44 44 25513 1 . PRO 45 45 25513 1 . ARG 46 46 25513 1 . TRP 47 47 25513 1 . THR 48 48 25513 1 . LEU 49 49 25513 1 . ALA 50 50 25513 1 . PRO 51 51 25513 1 . ILE 52 52 25513 1 . TRP 53 53 25513 1 . GLY 54 54 25513 1 . THR 55 55 25513 1 . LEU 56 56 25513 1 . TYR 57 57 25513 1 . SER 58 58 25513 1 . ALA 59 59 25513 1 . MET 60 60 25513 1 . GLY 61 61 25513 1 . TYR 62 62 25513 1 . GLY 63 63 25513 1 . SER 64 64 25513 1 . TYR 65 65 25513 1 . ILE 66 66 25513 1 . VAL 67 67 25513 1 . TRP 68 68 25513 1 . LYS 69 69 25513 1 . GLU 70 70 25513 1 . LEU 71 71 25513 1 . GLY 72 72 25513 1 . GLY 73 73 25513 1 . PHE 74 74 25513 1 . THR 75 75 25513 1 . GLU 76 76 25513 1 . ASP 77 77 25513 1 . ALA 78 78 25513 1 . MET 79 79 25513 1 . VAL 80 80 25513 1 . PRO 81 81 25513 1 . LEU 82 82 25513 1 . GLY 83 83 25513 1 . LEU 84 84 25513 1 . TYR 85 85 25513 1 . THR 86 86 25513 1 . GLY 87 87 25513 1 . GLN 88 88 25513 1 . LEU 89 89 25513 1 . ALA 90 90 25513 1 . LEU 91 91 25513 1 . ASN 92 92 25513 1 . TRP 93 93 25513 1 . ALA 94 94 25513 1 . TRP 95 95 25513 1 . PRO 96 96 25513 1 . PRO 97 97 25513 1 . ILE 98 98 25513 1 . PHE 99 99 25513 1 . PHE 100 100 25513 1 . GLY 101 101 25513 1 . ALA 102 102 25513 1 . ARG 103 103 25513 1 . GLN 104 104 25513 1 . MET 105 105 25513 1 . GLY 106 106 25513 1 . TRP 107 107 25513 1 . ALA 108 108 25513 1 . LEU 109 109 25513 1 . ALA 110 110 25513 1 . ASP 111 111 25513 1 . LEU 112 112 25513 1 . LEU 113 113 25513 1 . LEU 114 114 25513 1 . VAL 115 115 25513 1 . SER 116 116 25513 1 . GLY 117 117 25513 1 . VAL 118 118 25513 1 . ALA 119 119 25513 1 . THR 120 120 25513 1 . ALA 121 121 25513 1 . THR 122 122 25513 1 . THR 123 123 25513 1 . LEU 124 124 25513 1 . ALA 125 125 25513 1 . TRP 126 126 25513 1 . HIS 127 127 25513 1 . ARG 128 128 25513 1 . VAL 129 129 25513 1 . SER 130 130 25513 1 . PRO 131 131 25513 1 . PRO 132 132 25513 1 . ALA 133 133 25513 1 . ALA 134 134 25513 1 . ARG 135 135 25513 1 . LEU 136 136 25513 1 . LEU 137 137 25513 1 . TYR 138 138 25513 1 . PRO 139 139 25513 1 . TYR 140 140 25513 1 . LEU 141 141 25513 1 . ALA 142 142 25513 1 . TRP 143 143 25513 1 . LEU 144 144 25513 1 . ALA 145 145 25513 1 . PHE 146 146 25513 1 . THR 147 147 25513 1 . THR 148 148 25513 1 . VAL 149 149 25513 1 . LEU 150 150 25513 1 . ASN 151 151 25513 1 . TYR 152 152 25513 1 . TYR 153 153 25513 1 . VAL 154 154 25513 1 . TRP 155 155 25513 1 . ARG 156 156 25513 1 . ASP 157 157 25513 1 . ASN 158 158 25513 1 . SER 159 159 25513 1 . GLY 160 160 25513 1 . ARG 161 161 25513 1 . ARG 162 162 25513 1 . GLY 163 163 25513 1 . GLY 164 164 25513 1 . SER 165 165 25513 1 . ARG 166 166 25513 1 . LEU 167 167 25513 1 . ALA 168 168 25513 1 . GLU 169 169 25513 1 stop_ save_ save_entity_PKA _Entity.Sf_category entity _Entity.Sf_framecode entity_PKA _Entity.Entry_ID 25513 _Entity.ID 2 _Entity.BMRB_code PKA _Entity.Name N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PKA _Entity.Nonpolymer_comp_label $chem_comp_PKA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 352.857 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide BMRB 25513 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide BMRB 25513 2 PKA 'Three letter code' 25513 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PKA $chem_comp_PKA 25513 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25513 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TRANSLOCATOR_PROTEIN_A147T . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'TSPO, BZRP' . 25513 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 25513 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TRANSLOCATOR_PROTEIN_A147T . 'recombinant technology' 'ESCHERICHIA COLI' . . 562 ESCHERICHIA COLI . . . PLASMID . . PET15PBR . . . 25513 1 2 2 $entity_PKA . 'chemical synthesis' . . . . . . . . . . . . . . . . 25513 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PKA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PKA _Chem_comp.Entry_ID 25513 _Chem_comp.ID PKA _Chem_comp.Provenance PDB _Chem_comp.Name N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PKA _Chem_comp.PDB_code PKA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-03-29 _Chem_comp.Modified_date 2014-03-29 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PKA _Chem_comp.Number_atoms_all 46 _Chem_comp.Number_atoms_nh 25 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H21 Cl N2 O' _Chem_comp.Formula_weight 352.857 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2MGY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES 'OpenEye OEToolkits' 1.7.6 25513 PKA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES_CANONICAL CACTVS 3.385 25513 PKA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25513 PKA CC[CH](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES CACTVS 3.385 25513 PKA Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)C SMILES ACDLabs 12.01 25513 PKA InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 InChI InChI 1.03 25513 PKA RAVIZVQZGXBOQO-CQSZACIVSA-N InChIKey InChI 1.03 25513 PKA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methyl-isoquinoline-3-carboxamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25513 PKA N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide 'SYSTEMATIC NAME' ACDLabs 12.01 25513 PKA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.684 . 8.560 . 6.717 . -4.408 -0.560 -1.878 1 . 25513 PKA C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 6.159 . 7.724 . 7.891 . -4.819 -0.984 -0.467 2 . 25513 PKA C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . 5.904 . 6.272 . 7.442 . -4.366 0.078 0.537 3 . 25513 PKA C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 7.109 . 5.397 . 7.794 . -4.884 -0.284 1.931 4 . 25513 PKA N5 N5 N5 N5 . N . . N 0 . . . 1 no no . . . . 4.711 . 5.750 . 8.112 . -2.902 0.135 0.560 5 . 25513 PKA C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 4.477 . 6.087 . 9.510 . -2.128 -1.053 0.928 6 . 25513 PKA C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 3.934 . 4.816 . 7.539 . -2.268 1.281 0.243 7 . 25513 PKA O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . 2.956 . 4.364 . 8.136 . -2.908 2.290 0.025 8 . 25513 PKA C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 4.276 . 4.285 . 6.195 . -0.791 1.310 0.158 9 . 25513 PKA N18 N18 N18 N18 . N . . N 0 . . . 1 yes no . . . . 4.427 . 5.160 . 5.114 . -0.117 0.165 0.275 10 . 25513 PKA C17 C17 C17 C17 . C . . N 0 . . . 1 yes no . . . . 4.752 . 4.665 . 3.850 . 1.200 0.109 0.210 11 . 25513 PKA C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 4.446 . 2.908 . 6.011 . -0.157 2.522 -0.044 12 . 25513 PKA C11 C11 C11 C11 . C . . N 0 . . . 1 yes no . . . . 4.765 . 2.406 . 4.744 . 1.246 2.559 -0.125 13 . 25513 PKA C12 C12 C12 C12 . C . . N 0 . . . 1 yes no . . . . 4.928 . 1.028 . 4.561 . 1.952 3.753 -0.329 14 . 25513 PKA C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . 4.919 . 3.281 . 3.662 . 1.959 1.339 0.005 15 . 25513 PKA C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . 5.250 . 0.523 . 3.295 . 3.313 3.723 -0.400 16 . 25513 PKA C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . 5.404 . 1.397 . 2.211 . 4.012 2.525 -0.272 17 . 25513 PKA C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . 5.238 . 2.774 . 2.393 . 3.355 1.346 -0.072 18 . 25513 PKA C19 C19 C19 C19 . C . . N 0 . . . 1 yes no . . . . 4.917 . 5.602 . 2.715 . 1.900 -1.189 0.346 19 . 25513 PKA C24 C24 C24 C24 . C . . N 0 . . . 1 yes no . . . . 6.152 . 5.709 . 2.061 . 1.522 -2.276 -0.444 20 . 25513 PKA C23 C23 C23 C23 . C . . N 0 . . . 1 yes no . . . . 6.298 . 6.593 . 0.985 . 2.180 -3.483 -0.313 21 . 25513 PKA C20 C20 C20 C20 . C . . N 0 . . . 1 yes no . . . . 3.839 . 6.384 . 2.302 . 2.944 -1.329 1.260 22 . 25513 PKA C21 C21 C21 C21 . C . . N 0 . . . 1 yes no . . . . 3.986 . 7.270 . 1.227 . 3.593 -2.540 1.382 23 . 25513 PKA C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . 5.215 . 7.378 . 0.571 . 3.211 -3.616 0.600 24 . 25513 PKA CL CL CL CL . CL . . N 0 . . . 0 no no . . . . 7.494 . 4.726 . 2.569 . 0.228 -2.110 -1.589 25 . 25513 PKA H1C H1C H1C H1C . H . . N 0 . . . 1 no no . . . . 6.861 . 9.593 . 7.052 . -3.325 -0.455 -1.925 26 . 25513 PKA H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . 7.626 . 8.127 . 6.351 . -4.731 -1.317 -2.593 27 . 25513 PKA H1B H1B H1B H1B . H . . N 0 . . . 1 no no . . . . 5.941 . 8.560 . 5.906 . -4.877 0.394 -2.122 28 . 25513 PKA H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.903 . 7.728 . 8.701 . -5.903 -1.089 -0.420 29 . 25513 PKA H2B H2B H2B H2B . H . . N 0 . . . 1 no no . . . . 5.218 . 8.162 . 8.256 . -4.351 -1.938 -0.223 30 . 25513 PKA H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 5.757 . 6.258 . 6.352 . -4.763 1.049 0.243 31 . 25513 PKA H4C H4C H4C H4C . H . . N 0 . . . 1 no no . . . . 6.919 . 4.363 . 7.470 . -4.487 -1.255 2.226 32 . 25513 PKA H4A H4A H4A H4A . H . . N 0 . . . 1 no no . . . . 8.004 . 5.782 . 7.283 . -4.561 0.473 2.646 33 . 25513 PKA H4B H4B H4B H4B . H . . N 0 . . . 1 no no . . . . 7.271 . 5.417 . 8.882 . -5.973 -0.326 1.914 34 . 25513 PKA H6A H6A H6A H6A . H . . N 0 . . . 1 no no . . . . 3.544 . 5.615 . 9.850 . -1.823 -1.582 0.026 35 . 25513 PKA H6B H6B H6B H6B . H . . N 0 . . . 1 no no . . . . 5.316 . 5.722 . 10.120 . -1.244 -0.751 1.489 36 . 25513 PKA H6C H6C H6C H6C . H . . N 0 . . . 1 no no . . . . 4.395 . 7.179 . 9.615 . -2.742 -1.710 1.545 37 . 25513 PKA H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 4.331 . 2.233 . 6.846 . -0.733 3.431 -0.139 38 . 25513 PKA H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 4.805 . 0.354 . 5.396 . 1.422 4.689 -0.431 39 . 25513 PKA H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 5.380 . -0.540 . 3.154 . 3.858 4.642 -0.557 40 . 25513 PKA H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 5.651 . 1.007 . 1.234 . 5.090 2.530 -0.332 41 . 25513 PKA H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 5.355 . 3.447 . 1.557 . 3.910 0.424 0.025 42 . 25513 PKA H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 7.246 . 6.669 . 0.474 . 1.889 -4.325 -0.923 43 . 25513 PKA H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 2.890 . 6.307 . 2.811 . 3.244 -0.491 1.872 44 . 25513 PKA H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 3.148 . 7.871 . 0.905 . 4.402 -2.649 2.090 45 . 25513 PKA H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 5.329 . 8.066 . -0.254 . 3.722 -4.562 0.699 46 . 25513 PKA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C22 C23 yes N 1 . 25513 PKA 2 . SING C22 C21 yes N 2 . 25513 PKA 3 . SING C23 C24 yes N 3 . 25513 PKA 4 . DOUB C21 C20 yes N 4 . 25513 PKA 5 . SING C24 CL no N 5 . 25513 PKA 6 . DOUB C24 C19 yes N 6 . 25513 PKA 7 . DOUB C14 C15 yes N 7 . 25513 PKA 8 . SING C14 C13 yes N 8 . 25513 PKA 9 . SING C20 C19 yes N 9 . 25513 PKA 10 . SING C15 C16 yes N 10 . 25513 PKA 11 . SING C19 C17 no N 11 . 25513 PKA 12 . DOUB C13 C12 yes N 12 . 25513 PKA 13 . DOUB C16 C17 yes N 13 . 25513 PKA 14 . SING C16 C11 yes N 14 . 25513 PKA 15 . SING C17 N18 yes N 15 . 25513 PKA 16 . SING C12 C11 yes N 16 . 25513 PKA 17 . DOUB C11 C10 yes N 17 . 25513 PKA 18 . DOUB N18 C9 yes N 18 . 25513 PKA 19 . SING C10 C9 yes N 19 . 25513 PKA 20 . SING C9 C7 no N 20 . 25513 PKA 21 . SING C1 C2 no N 21 . 25513 PKA 22 . SING C3 C4 no N 22 . 25513 PKA 23 . SING C3 C2 no N 23 . 25513 PKA 24 . SING C3 N5 no N 24 . 25513 PKA 25 . SING C7 N5 no N 25 . 25513 PKA 26 . DOUB C7 O8 no N 26 . 25513 PKA 27 . SING N5 C6 no N 27 . 25513 PKA 28 . SING C1 H1C no N 28 . 25513 PKA 29 . SING C1 H1A no N 29 . 25513 PKA 30 . SING C1 H1B no N 30 . 25513 PKA 31 . SING C2 H2A no N 31 . 25513 PKA 32 . SING C2 H2B no N 32 . 25513 PKA 33 . SING C3 H3 no N 33 . 25513 PKA 34 . SING C4 H4C no N 34 . 25513 PKA 35 . SING C4 H4A no N 35 . 25513 PKA 36 . SING C4 H4B no N 36 . 25513 PKA 37 . SING C6 H6A no N 37 . 25513 PKA 38 . SING C6 H6B no N 38 . 25513 PKA 39 . SING C6 H6C no N 39 . 25513 PKA 40 . SING C10 H10 no N 40 . 25513 PKA 41 . SING C12 H12 no N 41 . 25513 PKA 42 . SING C13 H13 no N 42 . 25513 PKA 43 . SING C14 H14 no N 43 . 25513 PKA 44 . SING C15 H15 no N 44 . 25513 PKA 45 . SING C23 H23 no N 45 . 25513 PKA 46 . SING C20 H20 no N 46 . 25513 PKA 47 . SING C21 H21 no N 47 . 25513 PKA 48 . SING C22 H22 no N 48 . 25513 PKA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25513 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TRANSLOCATOR PROTEIN A147T' '[U-100% 13C; U-100% 15N]' . . 1 $TRANSLOCATOR_PROTEIN_A147T . protein . 0.3 0.7 mM . . . . 25513 1 2 (R)-PK11195 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 25513 1 3 2H-DPC [U-2H] . . . . . . 2 . . % . . . . 25513 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25513 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25513 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25513 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TRANSLOCATOR PROTEIN A147T' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $TRANSLOCATOR_PROTEIN_A147T . protein . 0.3 0.7 mM . . . . 25513 2 2 (R)-PK11195 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 25513 2 3 2H-DPC [U-2H] . . . . . . 2 . . % . . . . 25513 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25513 2 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25513 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25513 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'TRANSLOCATOR PROTEIN A147T' '[U-100% 13C; U-100% 15N]' . . 1 $TRANSLOCATOR_PROTEIN_A147T . protein . 0.3 0.7 mM . . . . 25513 3 2 (R)-PK11195 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 25513 3 3 2H-DPC [U-2H] . . . . . . 2 . . % . . . . 25513 3 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25513 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 25513 _Sample_condition_list.ID 1 _Sample_condition_list.Details '2.9 mM (R)-PK11195 and 2% 2H-DPC' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 25513 1 pH 6.0 . pH 25513 1 pressure 1 . atm 25513 1 temperature 315 . K 25513 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA_3.0 _Software.Sf_category software _Software.Sf_framecode CYANA_3.0 _Software.Entry_ID 25513 _Software.ID 1 _Software.Name CYANA_3.0 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25513 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25513 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25513 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25513 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25513 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25513 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25513 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25513 3 stop_ save_ save_NMRDRAW _Software.Sf_category software _Software.Sf_framecode NMRDRAW _Software.Entry_ID 25513 _Software.ID 4 _Software.Name NMRDRAW _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25513 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25513 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25513 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25513 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25513 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25513 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25513 _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 . 800 . . . 25513 1 2 spectrometer_2 Bruker Avance . 900 . . . 25513 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 25513 _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 . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25513 1 2 '2D 1H-13C HSQC ALIPHATIC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 3 '2D 1H-13C HSQC AROMATIC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25513 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25513 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25513 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 11 '3D 1H-13C NOESY ALIPHATIC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 12 '3D 1H- 13C NOESY AROMATIC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 1 13 '3D HN(CA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25513 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25513 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 25513 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25513 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25513 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25513 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 25513 _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' 2 $sample_1 isotropic 25513 1 2 '2D 1H-13C HSQC ALIPHATIC' 2 $sample_1 isotropic 25513 1 3 '2D 1H-13C HSQC AROMATIC' 2 $sample_1 isotropic 25513 1 4 '3D CBCA(CO)NH' 1 $sample_2 isotropic 25513 1 6 '3D HNCA' 1 $sample_2 isotropic 25513 1 7 '3D HNCACB' 1 $sample_2 isotropic 25513 1 8 '3D HN(CO)CA' 1 $sample_2 isotropic 25513 1 9 '3D HCCH-TOCSY' 3 $sample_3 isotropic 25513 1 10 '3D 1H-15N NOESY' 2 $sample_1 isotropic 25513 1 11 '3D 1H-13C NOESY ALIPHATIC' 2 $sample_1 isotropic 25513 1 12 '3D 1H- 13C NOESY AROMATIC' 2 $sample_1 isotropic 25513 1 13 '3D HN(CA)CB' 2 $sample_2 isotropic 25513 1 14 '3D 1H-13C NOESY aliphatic' 3 $sample_3 isotropic 25513 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.360 0.02 . 1 . . . A 1 MET HA . 25513 1 2 . 1 1 1 1 MET HB2 H 1 2.272 0.02 . 2 . . . A 1 MET HB2 . 25513 1 3 . 1 1 1 1 MET HB3 H 1 2.023 0.02 . 2 . . . A 1 MET HB3 . 25513 1 4 . 1 1 1 1 MET HE1 H 1 2.020 0.02 . 1 . . . A 1 MET HE . 25513 1 5 . 1 1 1 1 MET HE2 H 1 2.020 0.02 . 1 . . . A 1 MET HE . 25513 1 6 . 1 1 1 1 MET HE3 H 1 2.020 0.02 . 1 . . . A 1 MET HE . 25513 1 7 . 1 1 1 1 MET HG2 H 1 2.158 0.02 . 2 . . . A 1 MET HG2 . 25513 1 8 . 1 1 1 1 MET HG3 H 1 1.994 0.02 . 2 . . . A 1 MET HG3 . 25513 1 9 . 1 1 1 1 MET CA C 13 57.408 0.30 . 1 . . . A 1 MET CA . 25513 1 10 . 1 1 1 1 MET CB C 13 32.152 0.30 . 1 . . . A 1 MET CB . 25513 1 11 . 1 1 1 1 MET CE C 13 17.695 0.30 . 1 . . . A 1 MET CE . 25513 1 12 . 1 1 1 1 MET CG C 13 31.790 0.30 . 1 . . . A 1 MET CG . 25513 1 13 . 1 1 2 2 PRO HA H 1 4.449 0.02 . 1 . . . A 2 PRO HA . 25513 1 14 . 1 1 2 2 PRO HB2 H 1 1.275 0.02 . 2 . . . A 2 PRO HB2 . 25513 1 15 . 1 1 2 2 PRO HB3 H 1 2.477 0.02 . 2 . . . A 2 PRO HB3 . 25513 1 16 . 1 1 2 2 PRO HD2 H 1 2.959 0.02 . 2 . . . A 2 PRO HD2 . 25513 1 17 . 1 1 2 2 PRO HD3 H 1 4.174 0.02 . 2 . . . A 2 PRO HD3 . 25513 1 18 . 1 1 2 2 PRO HG2 H 1 0.920 0.02 . 2 . . . A 2 PRO HG2 . 25513 1 19 . 1 1 2 2 PRO HG3 H 1 1.725 0.02 . 2 . . . A 2 PRO HG3 . 25513 1 20 . 1 1 2 2 PRO CA C 13 62.237 0.30 . 1 . . . A 2 PRO CA . 25513 1 21 . 1 1 2 2 PRO CB C 13 32.064 0.30 . 1 . . . A 2 PRO CB . 25513 1 22 . 1 1 2 2 PRO CD C 13 50.752 0.30 . 1 . . . A 2 PRO CD . 25513 1 23 . 1 1 2 2 PRO CG C 13 27.622 0.30 . 1 . . . A 2 PRO CG . 25513 1 24 . 1 1 2 2 PRO N N 15 112.587 0.30 . 1 . . . A 2 PRO N . 25513 1 25 . 1 1 3 3 GLU H H 1 8.855 0.02 . 1 . . . A 3 GLU H . 25513 1 26 . 1 1 3 3 GLU HA H 1 4.236 0.02 . 1 . . . A 3 GLU HA . 25513 1 27 . 1 1 3 3 GLU HB2 H 1 2.071 0.02 . 2 . . . A 3 GLU HB2 . 25513 1 28 . 1 1 3 3 GLU HB3 H 1 2.259 0.02 . 2 . . . A 3 GLU HB3 . 25513 1 29 . 1 1 3 3 GLU HG2 H 1 2.406 0.02 . 2 . . . A 3 GLU HG2 . 25513 1 30 . 1 1 3 3 GLU HG3 H 1 2.379 0.02 . 2 . . . A 3 GLU HG3 . 25513 1 31 . 1 1 3 3 GLU CA C 13 56.815 0.30 . 1 . . . A 3 GLU CA . 25513 1 32 . 1 1 3 3 GLU CB C 13 28.938 0.30 . 1 . . . A 3 GLU CB . 25513 1 33 . 1 1 3 3 GLU CG C 13 34.413 0.30 . 1 . . . A 3 GLU CG . 25513 1 34 . 1 1 3 3 GLU N N 15 122.657 0.30 . 1 . . . A 3 GLU N . 25513 1 35 . 1 1 4 4 SER HA H 1 4.499 0.02 . 1 . . . A 4 SER HA . 25513 1 36 . 1 1 4 4 SER HB2 H 1 3.725 0.02 . 2 . . . A 4 SER HB2 . 25513 1 37 . 1 1 4 4 SER HB3 H 1 4.860 0.02 . 2 . . . A 4 SER HB3 . 25513 1 38 . 1 1 4 4 SER CA C 13 63.631 0.30 . 1 . . . A 4 SER CA . 25513 1 39 . 1 1 4 4 SER CB C 13 62.239 0.30 . 1 . . . A 4 SER CB . 25513 1 40 . 1 1 5 5 TRP H H 1 8.878 0.02 . 1 . . . A 5 TRP H . 25513 1 41 . 1 1 5 5 TRP HA H 1 4.506 0.02 . 1 . . . A 5 TRP HA . 25513 1 42 . 1 1 5 5 TRP HB2 H 1 3.372 0.02 . 2 . . . A 5 TRP HB2 . 25513 1 43 . 1 1 5 5 TRP HB3 H 1 3.348 0.02 . 2 . . . A 5 TRP HB3 . 25513 1 44 . 1 1 5 5 TRP HD1 H 1 6.050 0.02 . 1 . . . A 5 TRP HD1 . 25513 1 45 . 1 1 5 5 TRP HE1 H 1 10.725 0.02 . 1 . . . A 5 TRP HE1 . 25513 1 46 . 1 1 5 5 TRP HZ2 H 1 7.525 0.02 . 1 . . . A 5 TRP HZ2 . 25513 1 47 . 1 1 5 5 TRP CA C 13 58.985 0.30 . 1 . . . A 5 TRP CA . 25513 1 48 . 1 1 5 5 TRP CB C 13 30.219 0.30 . 1 . . . A 5 TRP CB . 25513 1 49 . 1 1 5 5 TRP CD1 C 13 125.238 0.30 . 1 . . . A 5 TRP CD1 . 25513 1 50 . 1 1 5 5 TRP CZ2 C 13 114.740 0.30 . 1 . . . A 5 TRP CZ2 . 25513 1 51 . 1 1 5 5 TRP N N 15 122.167 0.30 . 1 . . . A 5 TRP N . 25513 1 52 . 1 1 5 5 TRP NE1 N 15 130.950 0.30 . 1 . . . A 5 TRP NE1 . 25513 1 53 . 1 1 6 6 VAL H H 1 8.413 0.02 . 1 . . . A 6 VAL H . 25513 1 54 . 1 1 6 6 VAL HA H 1 3.670 0.02 . 1 . . . A 6 VAL HA . 25513 1 55 . 1 1 6 6 VAL HB H 1 2.387 0.02 . 1 . . . A 6 VAL HB . 25513 1 56 . 1 1 6 6 VAL HG11 H 1 0.875 0.02 . 1 . . . A 6 VAL HG1 . 25513 1 57 . 1 1 6 6 VAL HG12 H 1 0.875 0.02 . 1 . . . A 6 VAL HG1 . 25513 1 58 . 1 1 6 6 VAL HG13 H 1 0.875 0.02 . 1 . . . A 6 VAL HG1 . 25513 1 59 . 1 1 6 6 VAL HG21 H 1 0.910 0.02 . 1 . . . A 6 VAL HG2 . 25513 1 60 . 1 1 6 6 VAL HG22 H 1 0.910 0.02 . 1 . . . A 6 VAL HG2 . 25513 1 61 . 1 1 6 6 VAL HG23 H 1 0.910 0.02 . 1 . . . A 6 VAL HG2 . 25513 1 62 . 1 1 6 6 VAL CA C 13 69.503 0.30 . 1 . . . A 6 VAL CA . 25513 1 63 . 1 1 6 6 VAL CB C 13 29.415 0.30 . 1 . . . A 6 VAL CB . 25513 1 64 . 1 1 6 6 VAL CG1 C 13 21.790 0.30 . 1 . . . A 6 VAL CG1 . 25513 1 65 . 1 1 6 6 VAL CG2 C 13 23.913 0.30 . 1 . . . A 6 VAL CG2 . 25513 1 66 . 1 1 6 6 VAL N N 15 113.883 0.30 . 1 . . . A 6 VAL N . 25513 1 67 . 1 1 7 7 PRO HA H 1 3.960 0.02 . 1 . . . A 7 PRO HA . 25513 1 68 . 1 1 7 7 PRO HB2 H 1 2.134 0.02 . 2 . . . A 7 PRO HB2 . 25513 1 69 . 1 1 7 7 PRO HB3 H 1 1.846 0.02 . 2 . . . A 7 PRO HB3 . 25513 1 70 . 1 1 7 7 PRO HD2 H 1 4.037 0.02 . 2 . . . A 7 PRO HD2 . 25513 1 71 . 1 1 7 7 PRO HD3 H 1 3.755 0.02 . 2 . . . A 7 PRO HD3 . 25513 1 72 . 1 1 7 7 PRO HG2 H 1 2.452 0.02 . 2 . . . A 7 PRO HG2 . 25513 1 73 . 1 1 7 7 PRO HG3 H 1 2.033 0.02 . 2 . . . A 7 PRO HG3 . 25513 1 74 . 1 1 7 7 PRO CA C 13 66.544 0.30 . 1 . . . A 7 PRO CA . 25513 1 75 . 1 1 7 7 PRO CB C 13 31.468 0.30 . 1 . . . A 7 PRO CB . 25513 1 76 . 1 1 7 7 PRO CD C 13 50.593 0.30 . 1 . . . A 7 PRO CD . 25513 1 77 . 1 1 7 7 PRO CG C 13 28.595 0.30 . 1 . . . A 7 PRO CG . 25513 1 78 . 1 1 8 8 ALA H H 1 6.868 0.02 . 1 . . . A 8 ALA H . 25513 1 79 . 1 1 8 8 ALA HA H 1 3.094 0.02 . 1 . . . A 8 ALA HA . 25513 1 80 . 1 1 8 8 ALA HB1 H 1 0.840 0.02 . 1 . . . A 8 ALA HB . 25513 1 81 . 1 1 8 8 ALA HB2 H 1 0.840 0.02 . 1 . . . A 8 ALA HB . 25513 1 82 . 1 1 8 8 ALA HB3 H 1 0.840 0.02 . 1 . . . A 8 ALA HB . 25513 1 83 . 1 1 8 8 ALA CA C 13 55.675 0.30 . 1 . . . A 8 ALA CA . 25513 1 84 . 1 1 8 8 ALA CB C 13 18.393 0.30 . 1 . . . A 8 ALA CB . 25513 1 85 . 1 1 8 8 ALA N N 15 117.448 0.30 . 1 . . . A 8 ALA N . 25513 1 86 . 1 1 9 9 VAL H H 1 8.319 0.02 . 1 . . . A 9 VAL H . 25513 1 87 . 1 1 9 9 VAL HA H 1 3.624 0.02 . 1 . . . A 9 VAL HA . 25513 1 88 . 1 1 9 9 VAL HB H 1 2.207 0.02 . 1 . . . A 9 VAL HB . 25513 1 89 . 1 1 9 9 VAL HG11 H 1 1.010 0.02 . 1 . . . A 9 VAL HG1 . 25513 1 90 . 1 1 9 9 VAL HG12 H 1 1.010 0.02 . 1 . . . A 9 VAL HG1 . 25513 1 91 . 1 1 9 9 VAL HG13 H 1 1.010 0.02 . 1 . . . A 9 VAL HG1 . 25513 1 92 . 1 1 9 9 VAL HG21 H 1 1.284 0.02 . 1 . . . A 9 VAL HG2 . 25513 1 93 . 1 1 9 9 VAL HG22 H 1 1.284 0.02 . 1 . . . A 9 VAL HG2 . 25513 1 94 . 1 1 9 9 VAL HG23 H 1 1.284 0.02 . 1 . . . A 9 VAL HG2 . 25513 1 95 . 1 1 9 9 VAL CA C 13 66.855 0.30 . 1 . . . A 9 VAL CA . 25513 1 96 . 1 1 9 9 VAL CB C 13 32.404 0.30 . 1 . . . A 9 VAL CB . 25513 1 97 . 1 1 9 9 VAL CG1 C 13 22.143 0.30 . 1 . . . A 9 VAL CG1 . 25513 1 98 . 1 1 9 9 VAL CG2 C 13 23.984 0.30 . 1 . . . A 9 VAL CG2 . 25513 1 99 . 1 1 9 9 VAL N N 15 117.896 0.30 . 1 . . . A 9 VAL N . 25513 1 100 . 1 1 10 10 GLY H H 1 8.922 0.02 . 1 . . . A 10 GLY H . 25513 1 101 . 1 1 10 10 GLY HA2 H 1 3.580 0.02 . 2 . . . A 10 GLY HA2 . 25513 1 102 . 1 1 10 10 GLY HA3 H 1 3.643 0.02 . 2 . . . A 10 GLY HA3 . 25513 1 103 . 1 1 10 10 GLY CA C 13 48.322 0.30 . 1 . . . A 10 GLY CA . 25513 1 104 . 1 1 10 10 GLY N N 15 105.961 0.30 . 1 . . . A 10 GLY N . 25513 1 105 . 1 1 11 11 LEU H H 1 8.359 0.02 . 1 . . . A 11 LEU H . 25513 1 106 . 1 1 11 11 LEU HA H 1 4.185 0.02 . 1 . . . A 11 LEU HA . 25513 1 107 . 1 1 11 11 LEU HB2 H 1 1.569 0.02 . 2 . . . A 11 LEU HB2 . 25513 1 108 . 1 1 11 11 LEU HB3 H 1 1.942 0.02 . 2 . . . A 11 LEU HB3 . 25513 1 109 . 1 1 11 11 LEU HD11 H 1 0.886 0.02 . 1 . . . A 11 LEU HD1 . 25513 1 110 . 1 1 11 11 LEU HD12 H 1 0.886 0.02 . 1 . . . A 11 LEU HD1 . 25513 1 111 . 1 1 11 11 LEU HD13 H 1 0.886 0.02 . 1 . . . A 11 LEU HD1 . 25513 1 112 . 1 1 11 11 LEU HD21 H 1 0.502 0.02 . 1 . . . A 11 LEU HD2 . 25513 1 113 . 1 1 11 11 LEU HD22 H 1 0.502 0.02 . 1 . . . A 11 LEU HD2 . 25513 1 114 . 1 1 11 11 LEU HD23 H 1 0.502 0.02 . 1 . . . A 11 LEU HD2 . 25513 1 115 . 1 1 11 11 LEU HG H 1 1.659 0.02 . 1 . . . A 11 LEU HG . 25513 1 116 . 1 1 11 11 LEU CA C 13 58.531 0.30 . 1 . . . A 11 LEU CA . 25513 1 117 . 1 1 11 11 LEU CB C 13 40.372 0.30 . 1 . . . A 11 LEU CB . 25513 1 118 . 1 1 11 11 LEU CD1 C 13 22.977 0.30 . 1 . . . A 11 LEU CD1 . 25513 1 119 . 1 1 11 11 LEU CD2 C 13 24.810 0.30 . 1 . . . A 11 LEU CD2 . 25513 1 120 . 1 1 11 11 LEU CG C 13 28.548 0.30 . 1 . . . A 11 LEU CG . 25513 1 121 . 1 1 11 11 LEU N N 15 118.733 0.30 . 1 . . . A 11 LEU N . 25513 1 122 . 1 1 12 12 THR H H 1 7.359 0.02 . 1 . . . A 12 THR H . 25513 1 123 . 1 1 12 12 THR HA H 1 4.298 0.02 . 1 . . . A 12 THR HA . 25513 1 124 . 1 1 12 12 THR HB H 1 3.877 0.02 . 1 . . . A 12 THR HB . 25513 1 125 . 1 1 12 12 THR HG21 H 1 1.513 0.02 . 1 . . . A 12 THR HG2 . 25513 1 126 . 1 1 12 12 THR HG22 H 1 1.513 0.02 . 1 . . . A 12 THR HG2 . 25513 1 127 . 1 1 12 12 THR HG23 H 1 1.513 0.02 . 1 . . . A 12 THR HG2 . 25513 1 128 . 1 1 12 12 THR CA C 13 68.344 0.30 . 1 . . . A 12 THR CA . 25513 1 129 . 1 1 12 12 THR CB C 13 68.638 0.30 . 1 . . . A 12 THR CB . 25513 1 130 . 1 1 12 12 THR CG2 C 13 21.992 0.30 . 1 . . . A 12 THR CG2 . 25513 1 131 . 1 1 12 12 THR N N 15 114.995 0.30 . 1 . . . A 12 THR N . 25513 1 132 . 1 1 13 13 LEU H H 1 7.905 0.02 . 1 . . . A 13 LEU H . 25513 1 133 . 1 1 13 13 LEU HA H 1 4.612 0.02 . 1 . . . A 13 LEU HA . 25513 1 134 . 1 1 13 13 LEU HB2 H 1 1.946 0.02 . 2 . . . A 13 LEU HB2 . 25513 1 135 . 1 1 13 13 LEU HB3 H 1 1.543 0.02 . 2 . . . A 13 LEU HB3 . 25513 1 136 . 1 1 13 13 LEU HD11 H 1 0.907 0.02 . 1 . . . A 13 LEU HD1 . 25513 1 137 . 1 1 13 13 LEU HD12 H 1 0.907 0.02 . 1 . . . A 13 LEU HD1 . 25513 1 138 . 1 1 13 13 LEU HD13 H 1 0.907 0.02 . 1 . . . A 13 LEU HD1 . 25513 1 139 . 1 1 13 13 LEU HD21 H 1 0.937 0.02 . 1 . . . A 13 LEU HD2 . 25513 1 140 . 1 1 13 13 LEU HD22 H 1 0.937 0.02 . 1 . . . A 13 LEU HD2 . 25513 1 141 . 1 1 13 13 LEU HD23 H 1 0.937 0.02 . 1 . . . A 13 LEU HD2 . 25513 1 142 . 1 1 13 13 LEU HG H 1 1.245 0.02 . 1 . . . A 13 LEU HG . 25513 1 143 . 1 1 13 13 LEU CA C 13 56.820 0.30 . 1 . . . A 13 LEU CA . 25513 1 144 . 1 1 13 13 LEU CB C 13 44.017 0.30 . 1 . . . A 13 LEU CB . 25513 1 145 . 1 1 13 13 LEU CD1 C 13 25.681 0.30 . 1 . . . A 13 LEU CD1 . 25513 1 146 . 1 1 13 13 LEU CD2 C 13 23.625 0.30 . 1 . . . A 13 LEU CD2 . 25513 1 147 . 1 1 13 13 LEU CG C 13 27.952 0.30 . 1 . . . A 13 LEU CG . 25513 1 148 . 1 1 13 13 LEU N N 15 118.153 0.30 . 1 . . . A 13 LEU N . 25513 1 149 . 1 1 14 14 VAL H H 1 8.078 0.02 . 1 . . . A 14 VAL H . 25513 1 150 . 1 1 14 14 VAL HA H 1 3.947 0.02 . 1 . . . A 14 VAL HA . 25513 1 151 . 1 1 14 14 VAL HB H 1 2.512 0.02 . 1 . . . A 14 VAL HB . 25513 1 152 . 1 1 14 14 VAL HG11 H 1 1.286 0.02 . 1 . . . A 14 VAL HG1 . 25513 1 153 . 1 1 14 14 VAL HG12 H 1 1.286 0.02 . 1 . . . A 14 VAL HG1 . 25513 1 154 . 1 1 14 14 VAL HG13 H 1 1.286 0.02 . 1 . . . A 14 VAL HG1 . 25513 1 155 . 1 1 14 14 VAL HG21 H 1 1.309 0.02 . 1 . . . A 14 VAL HG2 . 25513 1 156 . 1 1 14 14 VAL HG22 H 1 1.309 0.02 . 1 . . . A 14 VAL HG2 . 25513 1 157 . 1 1 14 14 VAL HG23 H 1 1.309 0.02 . 1 . . . A 14 VAL HG2 . 25513 1 158 . 1 1 14 14 VAL CA C 13 69.169 0.30 . 1 . . . A 14 VAL CA . 25513 1 159 . 1 1 14 14 VAL CB C 13 31.116 0.30 . 1 . . . A 14 VAL CB . 25513 1 160 . 1 1 14 14 VAL CG1 C 13 21.713 0.30 . 1 . . . A 14 VAL CG1 . 25513 1 161 . 1 1 14 14 VAL CG2 C 13 25.247 0.30 . 1 . . . A 14 VAL CG2 . 25513 1 162 . 1 1 14 14 VAL N N 15 118.323 0.30 . 1 . . . A 14 VAL N . 25513 1 163 . 1 1 15 15 PRO HA H 1 4.600 0.02 . 1 . . . A 15 PRO HA . 25513 1 164 . 1 1 15 15 PRO HB2 H 1 2.036 0.02 . 2 . . . A 15 PRO HB2 . 25513 1 165 . 1 1 15 15 PRO HB3 H 1 2.371 0.02 . 2 . . . A 15 PRO HB3 . 25513 1 166 . 1 1 15 15 PRO HD2 H 1 3.718 0.02 . 2 . . . A 15 PRO HD2 . 25513 1 167 . 1 1 15 15 PRO HD3 H 1 3.862 0.02 . 2 . . . A 15 PRO HD3 . 25513 1 168 . 1 1 15 15 PRO HG2 H 1 1.951 0.02 . 2 . . . A 15 PRO HG2 . 25513 1 169 . 1 1 15 15 PRO HG3 H 1 1.963 0.02 . 2 . . . A 15 PRO HG3 . 25513 1 170 . 1 1 15 15 PRO CA C 13 67.512 0.30 . 1 . . . A 15 PRO CA . 25513 1 171 . 1 1 15 15 PRO CB C 13 31.977 0.30 . 1 . . . A 15 PRO CB . 25513 1 172 . 1 1 15 15 PRO CD C 13 49.829 0.30 . 1 . . . A 15 PRO CD . 25513 1 173 . 1 1 15 15 PRO CG C 13 27.695 0.30 . 1 . . . A 15 PRO CG . 25513 1 174 . 1 1 16 16 SER H H 1 7.260 0.02 . 1 . . . A 16 SER H . 25513 1 175 . 1 1 16 16 SER HA H 1 3.870 0.02 . 1 . . . A 16 SER HA . 25513 1 176 . 1 1 16 16 SER HB2 H 1 4.148 0.02 . 2 . . . A 16 SER HB2 . 25513 1 177 . 1 1 16 16 SER HB3 H 1 3.940 0.02 . 2 . . . A 16 SER HB3 . 25513 1 178 . 1 1 16 16 SER CA C 13 62.919 0.30 . 1 . . . A 16 SER CA . 25513 1 179 . 1 1 16 16 SER CB C 13 63.535 0.30 . 1 . . . A 16 SER CB . 25513 1 180 . 1 1 16 16 SER N N 15 110.124 0.30 . 1 . . . A 16 SER N . 25513 1 181 . 1 1 17 17 LEU H H 1 8.165 0.02 . 1 . . . A 17 LEU H . 25513 1 182 . 1 1 17 17 LEU HA H 1 4.076 0.02 . 1 . . . A 17 LEU HA . 25513 1 183 . 1 1 17 17 LEU HB2 H 1 1.879 0.02 . 2 . . . A 17 LEU HB2 . 25513 1 184 . 1 1 17 17 LEU HB3 H 1 1.468 0.02 . 2 . . . A 17 LEU HB3 . 25513 1 185 . 1 1 17 17 LEU HD11 H 1 0.944 0.02 . 1 . . . A 17 LEU HD1 . 25513 1 186 . 1 1 17 17 LEU HD12 H 1 0.944 0.02 . 1 . . . A 17 LEU HD1 . 25513 1 187 . 1 1 17 17 LEU HD13 H 1 0.944 0.02 . 1 . . . A 17 LEU HD1 . 25513 1 188 . 1 1 17 17 LEU HD21 H 1 0.839 0.02 . 1 . . . A 17 LEU HD2 . 25513 1 189 . 1 1 17 17 LEU HD22 H 1 0.839 0.02 . 1 . . . A 17 LEU HD2 . 25513 1 190 . 1 1 17 17 LEU HD23 H 1 0.839 0.02 . 1 . . . A 17 LEU HD2 . 25513 1 191 . 1 1 17 17 LEU HG H 1 1.855 0.02 . 1 . . . A 17 LEU HG . 25513 1 192 . 1 1 17 17 LEU CA C 13 58.833 0.30 . 1 . . . A 17 LEU CA . 25513 1 193 . 1 1 17 17 LEU CB C 13 41.411 0.30 . 1 . . . A 17 LEU CB . 25513 1 194 . 1 1 17 17 LEU CD1 C 13 25.381 0.30 . 1 . . . A 17 LEU CD1 . 25513 1 195 . 1 1 17 17 LEU CD2 C 13 23.606 0.30 . 1 . . . A 17 LEU CD2 . 25513 1 196 . 1 1 17 17 LEU CG C 13 27.100 0.30 . 1 . . . A 17 LEU CG . 25513 1 197 . 1 1 17 17 LEU N N 15 122.966 0.30 . 1 . . . A 17 LEU N . 25513 1 198 . 1 1 18 18 GLY H H 1 6.980 0.02 . 1 . . . A 18 GLY H . 25513 1 199 . 1 1 18 18 GLY HA2 H 1 2.932 0.02 . 2 . . . A 18 GLY HA2 . 25513 1 200 . 1 1 18 18 GLY HA3 H 1 1.519 0.02 . 2 . . . A 18 GLY HA3 . 25513 1 201 . 1 1 18 18 GLY CA C 13 45.201 0.30 . 1 . . . A 18 GLY CA . 25513 1 202 . 1 1 18 18 GLY N N 15 102.500 0.30 . 1 . . . A 18 GLY N . 25513 1 203 . 1 1 19 19 GLY H H 1 7.367 0.02 . 1 . . . A 19 GLY H . 25513 1 204 . 1 1 19 19 GLY HA2 H 1 3.831 0.02 . 2 . . . A 19 GLY HA2 . 25513 1 205 . 1 1 19 19 GLY HA3 H 1 4.185 0.02 . 2 . . . A 19 GLY HA3 . 25513 1 206 . 1 1 19 19 GLY CA C 13 47.538 0.30 . 1 . . . A 19 GLY CA . 25513 1 207 . 1 1 19 19 GLY N N 15 109.258 0.30 . 1 . . . A 19 GLY N . 25513 1 208 . 1 1 20 20 PHE H H 1 8.492 0.02 . 1 . . . A 20 PHE H . 25513 1 209 . 1 1 20 20 PHE HA H 1 4.471 0.02 . 1 . . . A 20 PHE HA . 25513 1 210 . 1 1 20 20 PHE HB2 H 1 3.222 0.02 . 2 . . . A 20 PHE HB2 . 25513 1 211 . 1 1 20 20 PHE HB3 H 1 3.276 0.02 . 2 . . . A 20 PHE HB3 . 25513 1 212 . 1 1 20 20 PHE HD1 H 1 7.300 0.02 . 3 . . . A 20 PHE HD1 . 25513 1 213 . 1 1 20 20 PHE HD2 H 1 7.300 0.02 . 3 . . . A 20 PHE HD2 . 25513 1 214 . 1 1 20 20 PHE HE1 H 1 7.319 0.02 . 1 . . . A 20 PHE HE1 . 25513 1 215 . 1 1 20 20 PHE HE2 H 1 7.319 0.02 . 1 . . . A 20 PHE HE2 . 25513 1 216 . 1 1 20 20 PHE HZ H 1 7.179 0.02 . 1 . . . A 20 PHE HZ . 25513 1 217 . 1 1 20 20 PHE CA C 13 62.188 0.30 . 1 . . . A 20 PHE CA . 25513 1 218 . 1 1 20 20 PHE CB C 13 39.008 0.30 . 1 . . . A 20 PHE CB . 25513 1 219 . 1 1 20 20 PHE CD1 C 13 131.738 0.30 . 1 . . . A 20 PHE CD1 . 25513 1 220 . 1 1 20 20 PHE CD2 C 13 131.738 0.30 . 1 . . . A 20 PHE CD2 . 25513 1 221 . 1 1 20 20 PHE CE1 C 13 131.321 0.30 . 1 . . . A 20 PHE CE1 . 25513 1 222 . 1 1 20 20 PHE CE2 C 13 131.324 0.30 . 1 . . . A 20 PHE CE2 . 25513 1 223 . 1 1 20 20 PHE CZ C 13 129.365 0.30 . 1 . . . A 20 PHE CZ . 25513 1 224 . 1 1 20 20 PHE N N 15 121.005 0.30 . 1 . . . A 20 PHE N . 25513 1 225 . 1 1 21 21 MET H H 1 7.780 0.02 . 1 . . . A 21 MET H . 25513 1 226 . 1 1 21 21 MET HA H 1 4.210 0.02 . 1 . . . A 21 MET HA . 25513 1 227 . 1 1 21 21 MET HB2 H 1 2.599 0.02 . 2 . . . A 21 MET HB2 . 25513 1 228 . 1 1 21 21 MET HB3 H 1 2.120 0.02 . 2 . . . A 21 MET HB3 . 25513 1 229 . 1 1 21 21 MET HE1 H 1 2.082 0.02 . 1 . . . A 21 MET HE . 25513 1 230 . 1 1 21 21 MET HE2 H 1 2.082 0.02 . 1 . . . A 21 MET HE . 25513 1 231 . 1 1 21 21 MET HE3 H 1 2.082 0.02 . 1 . . . A 21 MET HE . 25513 1 232 . 1 1 21 21 MET HG2 H 1 2.123 0.02 . 2 . . . A 21 MET HG2 . 25513 1 233 . 1 1 21 21 MET HG3 H 1 2.606 0.02 . 2 . . . A 21 MET HG3 . 25513 1 234 . 1 1 21 21 MET CA C 13 59.224 0.30 . 1 . . . A 21 MET CA . 25513 1 235 . 1 1 21 21 MET CB C 13 32.854 0.30 . 1 . . . A 21 MET CB . 25513 1 236 . 1 1 21 21 MET CE C 13 17.773 0.30 . 1 . . . A 21 MET CE . 25513 1 237 . 1 1 21 21 MET CG C 13 32.629 0.30 . 1 . . . A 21 MET CG . 25513 1 238 . 1 1 21 21 MET N N 15 117.251 0.30 . 1 . . . A 21 MET N . 25513 1 239 . 1 1 22 22 GLY H H 1 8.236 0.02 . 1 . . . A 22 GLY H . 25513 1 240 . 1 1 22 22 GLY HA2 H 1 4.167 0.02 . 2 . . . A 22 GLY HA2 . 25513 1 241 . 1 1 22 22 GLY HA3 H 1 4.142 0.02 . 2 . . . A 22 GLY HA3 . 25513 1 242 . 1 1 22 22 GLY CA C 13 48.169 0.30 . 1 . . . A 22 GLY CA . 25513 1 243 . 1 1 22 22 GLY N N 15 107.327 0.30 . 1 . . . A 22 GLY N . 25513 1 244 . 1 1 23 23 ALA H H 1 8.281 0.02 . 1 . . . A 23 ALA H . 25513 1 245 . 1 1 23 23 ALA HA H 1 4.270 0.02 . 1 . . . A 23 ALA HA . 25513 1 246 . 1 1 23 23 ALA HB1 H 1 1.729 0.02 . 1 . . . A 23 ALA HB . 25513 1 247 . 1 1 23 23 ALA HB2 H 1 1.729 0.02 . 1 . . . A 23 ALA HB . 25513 1 248 . 1 1 23 23 ALA HB3 H 1 1.729 0.02 . 1 . . . A 23 ALA HB . 25513 1 249 . 1 1 23 23 ALA CA C 13 55.137 0.30 . 1 . . . A 23 ALA CA . 25513 1 250 . 1 1 23 23 ALA CB C 13 18.701 0.30 . 1 . . . A 23 ALA CB . 25513 1 251 . 1 1 23 23 ALA N N 15 122.007 0.30 . 1 . . . A 23 ALA N . 25513 1 252 . 1 1 24 24 TYR H H 1 8.083 0.02 . 1 . . . A 24 TYR H . 25513 1 253 . 1 1 24 24 TYR HA H 1 3.947 0.02 . 1 . . . A 24 TYR HA . 25513 1 254 . 1 1 24 24 TYR HB2 H 1 2.922 0.02 . 2 . . . A 24 TYR HB2 . 25513 1 255 . 1 1 24 24 TYR HB3 H 1 3.048 0.02 . 2 . . . A 24 TYR HB3 . 25513 1 256 . 1 1 24 24 TYR HD1 H 1 6.445 0.02 . 1 . . . A 24 TYR HD1 . 25513 1 257 . 1 1 24 24 TYR HD2 H 1 6.445 0.02 . 1 . . . A 24 TYR HD2 . 25513 1 258 . 1 1 24 24 TYR HE1 H 1 6.657 0.02 . 1 . . . A 24 TYR HE1 . 25513 1 259 . 1 1 24 24 TYR HE2 H 1 6.657 0.02 . 1 . . . A 24 TYR HE2 . 25513 1 260 . 1 1 24 24 TYR CA C 13 62.235 0.30 . 1 . . . A 24 TYR CA . 25513 1 261 . 1 1 24 24 TYR CB C 13 39.017 0.30 . 1 . . . A 24 TYR CB . 25513 1 262 . 1 1 24 24 TYR CD1 C 13 133.100 0.30 . 1 . . . A 24 TYR CD1 . 25513 1 263 . 1 1 24 24 TYR CD2 C 13 133.100 0.30 . 1 . . . A 24 TYR CD2 . 25513 1 264 . 1 1 24 24 TYR CE1 C 13 118.380 0.30 . 1 . . . A 24 TYR CE1 . 25513 1 265 . 1 1 24 24 TYR CE2 C 13 118.380 0.30 . 1 . . . A 24 TYR CE2 . 25513 1 266 . 1 1 24 24 TYR N N 15 119.323 0.30 . 1 . . . A 24 TYR N . 25513 1 267 . 1 1 25 25 PHE H H 1 7.623 0.02 . 1 . . . A 25 PHE H . 25513 1 268 . 1 1 25 25 PHE HA H 1 4.286 0.02 . 1 . . . A 25 PHE HA . 25513 1 269 . 1 1 25 25 PHE HB2 H 1 2.947 0.02 . 2 . . . A 25 PHE HB2 . 25513 1 270 . 1 1 25 25 PHE HB3 H 1 3.206 0.02 . 2 . . . A 25 PHE HB3 . 25513 1 271 . 1 1 25 25 PHE HD1 H 1 6.127 0.02 . 1 . . . A 25 PHE HD1 . 25513 1 272 . 1 1 25 25 PHE HD2 H 1 6.127 0.02 . 1 . . . A 25 PHE HD2 . 25513 1 273 . 1 1 25 25 PHE HE1 H 1 6.939 0.02 . 3 . . . A 25 PHE HE1 . 25513 1 274 . 1 1 25 25 PHE HE2 H 1 6.939 0.02 . 3 . . . A 25 PHE HE2 . 25513 1 275 . 1 1 25 25 PHE HZ H 1 7.302 0.02 . 1 . . . A 25 PHE HZ . 25513 1 276 . 1 1 25 25 PHE CA C 13 60.468 0.30 . 1 . . . A 25 PHE CA . 25513 1 277 . 1 1 25 25 PHE CB C 13 39.934 0.30 . 1 . . . A 25 PHE CB . 25513 1 278 . 1 1 25 25 PHE CD1 C 13 132.517 0.30 . 1 . . . A 25 PHE CD1 . 25513 1 279 . 1 1 25 25 PHE CD2 C 13 132.517 0.30 . 1 . . . A 25 PHE CD2 . 25513 1 280 . 1 1 25 25 PHE CE1 C 13 130.438 0.30 . 1 . . . A 25 PHE CE1 . 25513 1 281 . 1 1 25 25 PHE CE2 C 13 130.438 0.30 . 1 . . . A 25 PHE CE2 . 25513 1 282 . 1 1 25 25 PHE CZ C 13 129.961 0.30 . 1 . . . A 25 PHE CZ . 25513 1 283 . 1 1 25 25 PHE N N 15 113.367 0.30 . 1 . . . A 25 PHE N . 25513 1 284 . 1 1 26 26 VAL H H 1 7.473 0.02 . 1 . . . A 26 VAL H . 25513 1 285 . 1 1 26 26 VAL HA H 1 3.488 0.02 . 1 . . . A 26 VAL HA . 25513 1 286 . 1 1 26 26 VAL HB H 1 2.026 0.02 . 1 . . . A 26 VAL HB . 25513 1 287 . 1 1 26 26 VAL HG11 H 1 0.613 0.02 . 1 . . . A 26 VAL HG1 . 25513 1 288 . 1 1 26 26 VAL HG12 H 1 0.613 0.02 . 1 . . . A 26 VAL HG1 . 25513 1 289 . 1 1 26 26 VAL HG13 H 1 0.613 0.02 . 1 . . . A 26 VAL HG1 . 25513 1 290 . 1 1 26 26 VAL HG21 H 1 0.583 0.02 . 1 . . . A 26 VAL HG2 . 25513 1 291 . 1 1 26 26 VAL HG22 H 1 0.583 0.02 . 1 . . . A 26 VAL HG2 . 25513 1 292 . 1 1 26 26 VAL HG23 H 1 0.583 0.02 . 1 . . . A 26 VAL HG2 . 25513 1 293 . 1 1 26 26 VAL CA C 13 63.819 0.30 . 1 . . . A 26 VAL CA . 25513 1 294 . 1 1 26 26 VAL CB C 13 32.432 0.30 . 1 . . . A 26 VAL CB . 25513 1 295 . 1 1 26 26 VAL CG1 C 13 22.049 0.30 . 1 . . . A 26 VAL CG1 . 25513 1 296 . 1 1 26 26 VAL CG2 C 13 21.586 0.30 . 1 . . . A 26 VAL CG2 . 25513 1 297 . 1 1 26 26 VAL N N 15 118.799 0.30 . 1 . . . A 26 VAL N . 25513 1 298 . 1 1 27 27 ARG H H 1 7.184 0.02 . 1 . . . A 27 ARG H . 25513 1 299 . 1 1 27 27 ARG HA H 1 4.113 0.02 . 1 . . . A 27 ARG HA . 25513 1 300 . 1 1 27 27 ARG HB2 H 1 1.898 0.02 . 2 . . . A 27 ARG HB2 . 25513 1 301 . 1 1 27 27 ARG HB3 H 1 1.911 0.02 . 2 . . . A 27 ARG HB3 . 25513 1 302 . 1 1 27 27 ARG HD2 H 1 3.131 0.02 . 2 . . . A 27 ARG HD2 . 25513 1 303 . 1 1 27 27 ARG HD3 H 1 3.139 0.02 . 2 . . . A 27 ARG HD3 . 25513 1 304 . 1 1 27 27 ARG HG2 H 1 1.718 0.02 . 2 . . . A 27 ARG HG2 . 25513 1 305 . 1 1 27 27 ARG HG3 H 1 1.712 0.02 . 2 . . . A 27 ARG HG3 . 25513 1 306 . 1 1 27 27 ARG CA C 13 57.270 0.30 . 1 . . . A 27 ARG CA . 25513 1 307 . 1 1 27 27 ARG CB C 13 31.238 0.30 . 1 . . . A 27 ARG CB . 25513 1 308 . 1 1 27 27 ARG CD C 13 44.089 0.30 . 1 . . . A 27 ARG CD . 25513 1 309 . 1 1 27 27 ARG CG C 13 27.356 0.30 . 1 . . . A 27 ARG CG . 25513 1 310 . 1 1 27 27 ARG N N 15 115.415 0.30 . 1 . . . A 27 ARG N . 25513 1 311 . 1 1 28 28 GLY H H 1 8.999 0.02 . 1 . . . A 28 GLY H . 25513 1 312 . 1 1 28 28 GLY HA2 H 1 4.219 0.02 . 2 . . . A 28 GLY HA2 . 25513 1 313 . 1 1 28 28 GLY HA3 H 1 3.758 0.02 . 2 . . . A 28 GLY HA3 . 25513 1 314 . 1 1 28 28 GLY CA C 13 46.861 0.30 . 1 . . . A 28 GLY CA . 25513 1 315 . 1 1 28 28 GLY N N 15 111.916 0.30 . 1 . . . A 28 GLY N . 25513 1 316 . 1 1 29 29 GLU HA H 1 4.216 0.02 . 1 . . . A 29 GLU HA . 25513 1 317 . 1 1 29 29 GLU HB2 H 1 2.216 0.02 . 2 . . . A 29 GLU HB2 . 25513 1 318 . 1 1 29 29 GLU HB3 H 1 2.246 0.02 . 2 . . . A 29 GLU HB3 . 25513 1 319 . 1 1 29 29 GLU HG2 H 1 2.524 0.02 . 2 . . . A 29 GLU HG2 . 25513 1 320 . 1 1 29 29 GLU HG3 H 1 2.503 0.02 . 2 . . . A 29 GLU HG3 . 25513 1 321 . 1 1 29 29 GLU CA C 13 59.458 0.30 . 1 . . . A 29 GLU CA . 25513 1 322 . 1 1 29 29 GLU CB C 13 30.247 0.30 . 1 . . . A 29 GLU CB . 25513 1 323 . 1 1 29 29 GLU CG C 13 36.840 0.30 . 1 . . . A 29 GLU CG . 25513 1 324 . 1 1 30 30 GLY H H 1 8.522 0.02 . 1 . . . A 30 GLY H . 25513 1 325 . 1 1 30 30 GLY HA2 H 1 4.371 0.02 . 2 . . . A 30 GLY HA2 . 25513 1 326 . 1 1 30 30 GLY HA3 H 1 4.418 0.02 . 2 . . . A 30 GLY HA3 . 25513 1 327 . 1 1 30 30 GLY CA C 13 48.684 0.30 . 1 . . . A 30 GLY CA . 25513 1 328 . 1 1 30 30 GLY N N 15 109.421 0.30 . 1 . . . A 30 GLY N . 25513 1 329 . 1 1 31 31 LEU H H 1 7.822 0.02 . 1 . . . A 31 LEU H . 25513 1 330 . 1 1 31 31 LEU HA H 1 4.506 0.02 . 1 . . . A 31 LEU HA . 25513 1 331 . 1 1 31 31 LEU HB2 H 1 1.931 0.02 . 2 . . . A 31 LEU HB2 . 25513 1 332 . 1 1 31 31 LEU HB3 H 1 1.957 0.02 . 2 . . . A 31 LEU HB3 . 25513 1 333 . 1 1 31 31 LEU HD11 H 1 1.121 0.02 . 1 . . . A 31 LEU HD1 . 25513 1 334 . 1 1 31 31 LEU HD12 H 1 1.121 0.02 . 1 . . . A 31 LEU HD1 . 25513 1 335 . 1 1 31 31 LEU HD13 H 1 1.121 0.02 . 1 . . . A 31 LEU HD1 . 25513 1 336 . 1 1 31 31 LEU HD21 H 1 1.034 0.02 . 1 . . . A 31 LEU HD2 . 25513 1 337 . 1 1 31 31 LEU HD22 H 1 1.034 0.02 . 1 . . . A 31 LEU HD2 . 25513 1 338 . 1 1 31 31 LEU HD23 H 1 1.034 0.02 . 1 . . . A 31 LEU HD2 . 25513 1 339 . 1 1 31 31 LEU HG H 1 1.946 0.02 . 1 . . . A 31 LEU HG . 25513 1 340 . 1 1 31 31 LEU CA C 13 58.357 0.30 . 1 . . . A 31 LEU CA . 25513 1 341 . 1 1 31 31 LEU CB C 13 42.186 0.30 . 1 . . . A 31 LEU CB . 25513 1 342 . 1 1 31 31 LEU CD1 C 13 25.545 0.30 . 1 . . . A 31 LEU CD1 . 25513 1 343 . 1 1 31 31 LEU CD2 C 13 25.013 0.30 . 1 . . . A 31 LEU CD2 . 25513 1 344 . 1 1 31 31 LEU CG C 13 27.470 0.30 . 1 . . . A 31 LEU CG . 25513 1 345 . 1 1 31 31 LEU N N 15 123.479 0.30 . 1 . . . A 31 LEU N . 25513 1 346 . 1 1 32 32 ARG H H 1 7.812 0.02 . 1 . . . A 32 ARG H . 25513 1 347 . 1 1 32 32 ARG HA H 1 4.205 0.02 . 1 . . . A 32 ARG HA . 25513 1 348 . 1 1 32 32 ARG HB2 H 1 2.078 0.02 . 2 . . . A 32 ARG HB2 . 25513 1 349 . 1 1 32 32 ARG HB3 H 1 2.114 0.02 . 2 . . . A 32 ARG HB3 . 25513 1 350 . 1 1 32 32 ARG HD2 H 1 3.406 0.02 . 2 . . . A 32 ARG HD2 . 25513 1 351 . 1 1 32 32 ARG HD3 H 1 3.385 0.02 . 2 . . . A 32 ARG HD3 . 25513 1 352 . 1 1 32 32 ARG HG2 H 1 1.780 0.02 . 2 . . . A 32 ARG HG2 . 25513 1 353 . 1 1 32 32 ARG HG3 H 1 1.762 0.02 . 2 . . . A 32 ARG HG3 . 25513 1 354 . 1 1 32 32 ARG CA C 13 60.245 0.30 . 1 . . . A 32 ARG CA . 25513 1 355 . 1 1 32 32 ARG CB C 13 30.654 0.30 . 1 . . . A 32 ARG CB . 25513 1 356 . 1 1 32 32 ARG CD C 13 43.769 0.30 . 1 . . . A 32 ARG CD . 25513 1 357 . 1 1 32 32 ARG CG C 13 28.163 0.30 . 1 . . . A 32 ARG CG . 25513 1 358 . 1 1 32 32 ARG N N 15 120.590 0.30 . 1 . . . A 32 ARG N . 25513 1 359 . 1 1 33 33 TRP H H 1 8.681 0.02 . 1 . . . A 33 TRP H . 25513 1 360 . 1 1 33 33 TRP HA H 1 4.478 0.02 . 1 . . . A 33 TRP HA . 25513 1 361 . 1 1 33 33 TRP HB2 H 1 3.538 0.02 . 2 . . . A 33 TRP HB2 . 25513 1 362 . 1 1 33 33 TRP HB3 H 1 3.912 0.02 . 2 . . . A 33 TRP HB3 . 25513 1 363 . 1 1 33 33 TRP HD1 H 1 7.340 0.02 . 1 . . . A 33 TRP HD1 . 25513 1 364 . 1 1 33 33 TRP HE1 H 1 10.232 0.02 . 1 . . . A 33 TRP HE1 . 25513 1 365 . 1 1 33 33 TRP HZ2 H 1 7.131 0.02 . 1 . . . A 33 TRP HZ2 . 25513 1 366 . 1 1 33 33 TRP CA C 13 60.969 0.30 . 1 . . . A 33 TRP CA . 25513 1 367 . 1 1 33 33 TRP CB C 13 27.883 0.30 . 1 . . . A 33 TRP CB . 25513 1 368 . 1 1 33 33 TRP CD1 C 13 127.211 0.30 . 1 . . . A 33 TRP CD1 . 25513 1 369 . 1 1 33 33 TRP CZ2 C 13 114.356 0.30 . 1 . . . A 33 TRP CZ2 . 25513 1 370 . 1 1 33 33 TRP N N 15 122.313 0.30 . 1 . . . A 33 TRP N . 25513 1 371 . 1 1 33 33 TRP NE1 N 15 130.515 0.30 . 1 . . . A 33 TRP NE1 . 25513 1 372 . 1 1 34 34 TYR H H 1 8.760 0.02 . 1 . . . A 34 TYR H . 25513 1 373 . 1 1 34 34 TYR HA H 1 3.453 0.02 . 1 . . . A 34 TYR HA . 25513 1 374 . 1 1 34 34 TYR HB2 H 1 3.739 0.02 . 2 . . . A 34 TYR HB2 . 25513 1 375 . 1 1 34 34 TYR HB3 H 1 3.271 0.02 . 2 . . . A 34 TYR HB3 . 25513 1 376 . 1 1 34 34 TYR HD1 H 1 6.970 0.02 . 1 . . . A 34 TYR HD1 . 25513 1 377 . 1 1 34 34 TYR HD2 H 1 6.970 0.02 . 1 . . . A 34 TYR HD2 . 25513 1 378 . 1 1 34 34 TYR HE1 H 1 6.837 0.02 . 1 . . . A 34 TYR HE1 . 25513 1 379 . 1 1 34 34 TYR HE2 H 1 6.837 0.02 . 1 . . . A 34 TYR HE2 . 25513 1 380 . 1 1 34 34 TYR CA C 13 61.278 0.30 . 1 . . . A 34 TYR CA . 25513 1 381 . 1 1 34 34 TYR CB C 13 40.403 0.30 . 1 . . . A 34 TYR CB . 25513 1 382 . 1 1 34 34 TYR CD1 C 13 133.222 0.30 . 1 . . . A 34 TYR CD1 . 25513 1 383 . 1 1 34 34 TYR CD2 C 13 133.222 0.30 . 1 . . . A 34 TYR CD2 . 25513 1 384 . 1 1 34 34 TYR CE1 C 13 118.461 0.30 . 1 . . . A 34 TYR CE1 . 25513 1 385 . 1 1 34 34 TYR CE2 C 13 118.461 0.30 . 1 . . . A 34 TYR CE2 . 25513 1 386 . 1 1 34 34 TYR N N 15 121.144 0.30 . 1 . . . A 34 TYR N . 25513 1 387 . 1 1 35 35 ALA H H 1 8.748 0.02 . 1 . . . A 35 ALA H . 25513 1 388 . 1 1 35 35 ALA HA H 1 3.950 0.02 . 1 . . . A 35 ALA HA . 25513 1 389 . 1 1 35 35 ALA HB1 H 1 1.672 0.02 . 1 . . . A 35 ALA HB . 25513 1 390 . 1 1 35 35 ALA HB2 H 1 1.672 0.02 . 1 . . . A 35 ALA HB . 25513 1 391 . 1 1 35 35 ALA HB3 H 1 1.672 0.02 . 1 . . . A 35 ALA HB . 25513 1 392 . 1 1 35 35 ALA CA C 13 55.381 0.30 . 1 . . . A 35 ALA CA . 25513 1 393 . 1 1 35 35 ALA CB C 13 18.598 0.30 . 1 . . . A 35 ALA CB . 25513 1 394 . 1 1 35 35 ALA N N 15 121.327 0.30 . 1 . . . A 35 ALA N . 25513 1 395 . 1 1 36 36 GLY H H 1 7.370 0.02 . 1 . . . A 36 GLY H . 25513 1 396 . 1 1 36 36 GLY HA2 H 1 3.872 0.02 . 2 . . . A 36 GLY HA2 . 25513 1 397 . 1 1 36 36 GLY HA3 H 1 4.122 0.02 . 2 . . . A 36 GLY HA3 . 25513 1 398 . 1 1 36 36 GLY CA C 13 45.540 0.30 . 1 . . . A 36 GLY CA . 25513 1 399 . 1 1 36 36 GLY N N 15 102.934 0.30 . 1 . . . A 36 GLY N . 25513 1 400 . 1 1 37 37 LEU H H 1 6.855 0.02 . 1 . . . A 37 LEU H . 25513 1 401 . 1 1 37 37 LEU HA H 1 4.030 0.02 . 1 . . . A 37 LEU HA . 25513 1 402 . 1 1 37 37 LEU HB2 H 1 1.158 0.02 . 2 . . . A 37 LEU HB2 . 25513 1 403 . 1 1 37 37 LEU HB3 H 1 0.958 0.02 . 2 . . . A 37 LEU HB3 . 25513 1 404 . 1 1 37 37 LEU HD11 H 1 -0.011 0.02 . 1 . . . A 37 LEU HD1 . 25513 1 405 . 1 1 37 37 LEU HD12 H 1 -0.011 0.02 . 1 . . . A 37 LEU HD1 . 25513 1 406 . 1 1 37 37 LEU HD13 H 1 -0.011 0.02 . 1 . . . A 37 LEU HD1 . 25513 1 407 . 1 1 37 37 LEU HD21 H 1 0.360 0.02 . 1 . . . A 37 LEU HD2 . 25513 1 408 . 1 1 37 37 LEU HD22 H 1 0.360 0.02 . 1 . . . A 37 LEU HD2 . 25513 1 409 . 1 1 37 37 LEU HD23 H 1 0.360 0.02 . 1 . . . A 37 LEU HD2 . 25513 1 410 . 1 1 37 37 LEU HG H 1 1.248 0.02 . 1 . . . A 37 LEU HG . 25513 1 411 . 1 1 37 37 LEU CA C 13 54.567 0.30 . 1 . . . A 37 LEU CA . 25513 1 412 . 1 1 37 37 LEU CB C 13 41.759 0.30 . 1 . . . A 37 LEU CB . 25513 1 413 . 1 1 37 37 LEU CD1 C 13 26.043 0.30 . 1 . . . A 37 LEU CD1 . 25513 1 414 . 1 1 37 37 LEU CD2 C 13 21.278 0.30 . 1 . . . A 37 LEU CD2 . 25513 1 415 . 1 1 37 37 LEU CG C 13 25.305 0.30 . 1 . . . A 37 LEU CG . 25513 1 416 . 1 1 37 37 LEU N N 15 119.596 0.30 . 1 . . . A 37 LEU N . 25513 1 417 . 1 1 38 38 GLN H H 1 9.398 0.02 . 1 . . . A 38 GLN H . 25513 1 418 . 1 1 38 38 GLN HA H 1 4.315 0.02 . 1 . . . A 38 GLN HA . 25513 1 419 . 1 1 38 38 GLN HB2 H 1 2.016 0.02 . 2 . . . A 38 GLN HB2 . 25513 1 420 . 1 1 38 38 GLN HB3 H 1 2.000 0.02 . 2 . . . A 38 GLN HB3 . 25513 1 421 . 1 1 38 38 GLN HE21 H 1 6.789 0.02 . 1 . . . A 38 GLN HE21 . 25513 1 422 . 1 1 38 38 GLN HE22 H 1 7.421 0.02 . 1 . . . A 38 GLN HE22 . 25513 1 423 . 1 1 38 38 GLN HG2 H 1 2.395 0.02 . 2 . . . A 38 GLN HG2 . 25513 1 424 . 1 1 38 38 GLN HG3 H 1 2.380 0.02 . 2 . . . A 38 GLN HG3 . 25513 1 425 . 1 1 38 38 GLN CA C 13 57.087 0.30 . 1 . . . A 38 GLN CA . 25513 1 426 . 1 1 38 38 GLN CB C 13 28.718 0.30 . 1 . . . A 38 GLN CB . 25513 1 427 . 1 1 38 38 GLN CG C 13 33.922 0.30 . 1 . . . A 38 GLN CG . 25513 1 428 . 1 1 38 38 GLN N N 15 124.411 0.30 . 1 . . . A 38 GLN N . 25513 1 429 . 1 1 38 38 GLN NE2 N 15 112.504 0.30 . 1 . . . A 38 GLN NE2 . 25513 1 430 . 1 1 39 39 LYS H H 1 8.550 0.02 . 1 . . . A 39 LYS H . 25513 1 431 . 1 1 39 39 LYS HA H 1 4.745 0.02 . 1 . . . A 39 LYS HA . 25513 1 432 . 1 1 39 39 LYS HB2 H 1 2.600 0.02 . 2 . . . A 39 LYS HB2 . 25513 1 433 . 1 1 39 39 LYS HB3 H 1 1.484 0.02 . 2 . . . A 39 LYS HB3 . 25513 1 434 . 1 1 39 39 LYS HD2 H 1 1.433 0.02 . 2 . . . A 39 LYS HD2 . 25513 1 435 . 1 1 39 39 LYS HD3 H 1 0.897 0.02 . 2 . . . A 39 LYS HD3 . 25513 1 436 . 1 1 39 39 LYS HE2 H 1 2.517 0.02 . 2 . . . A 39 LYS HE2 . 25513 1 437 . 1 1 39 39 LYS HE3 H 1 2.148 0.02 . 2 . . . A 39 LYS HE3 . 25513 1 438 . 1 1 39 39 LYS HG2 H 1 1.117 0.02 . 2 . . . A 39 LYS HG2 . 25513 1 439 . 1 1 39 39 LYS HG3 H 1 0.936 0.02 . 2 . . . A 39 LYS HG3 . 25513 1 440 . 1 1 39 39 LYS CA C 13 53.850 0.30 . 1 . . . A 39 LYS CA . 25513 1 441 . 1 1 39 39 LYS CB C 13 32.951 0.30 . 1 . . . A 39 LYS CB . 25513 1 442 . 1 1 39 39 LYS CD C 13 29.914 0.30 . 1 . . . A 39 LYS CD . 25513 1 443 . 1 1 39 39 LYS CE C 13 40.564 0.30 . 1 . . . A 39 LYS CE . 25513 1 444 . 1 1 39 39 LYS CG C 13 27.707 0.30 . 1 . . . A 39 LYS CG . 25513 1 445 . 1 1 39 39 LYS N N 15 126.604 0.30 . 1 . . . A 39 LYS N . 25513 1 446 . 1 1 40 40 PRO HA H 1 4.352 0.02 . 1 . . . A 40 PRO HA . 25513 1 447 . 1 1 40 40 PRO HB2 H 1 -0.015 0.02 . 2 . . . A 40 PRO HB2 . 25513 1 448 . 1 1 40 40 PRO HB3 H 1 1.362 0.02 . 2 . . . A 40 PRO HB3 . 25513 1 449 . 1 1 40 40 PRO HD2 H 1 2.972 0.02 . 2 . . . A 40 PRO HD2 . 25513 1 450 . 1 1 40 40 PRO HD3 H 1 4.200 0.02 . 2 . . . A 40 PRO HD3 . 25513 1 451 . 1 1 40 40 PRO HG2 H 1 0.858 0.02 . 2 . . . A 40 PRO HG2 . 25513 1 452 . 1 1 40 40 PRO HG3 H 1 1.277 0.02 . 2 . . . A 40 PRO HG3 . 25513 1 453 . 1 1 40 40 PRO CA C 13 62.379 0.30 . 1 . . . A 40 PRO CA . 25513 1 454 . 1 1 40 40 PRO CB C 13 31.616 0.30 . 1 . . . A 40 PRO CB . 25513 1 455 . 1 1 40 40 PRO CD C 13 50.647 0.30 . 1 . . . A 40 PRO CD . 25513 1 456 . 1 1 40 40 PRO CG C 13 28.100 0.30 . 1 . . . A 40 PRO CG . 25513 1 457 . 1 1 41 41 SER HA H 1 4.288 0.02 . 1 . . . A 41 SER HA . 25513 1 458 . 1 1 41 41 SER HB2 H 1 3.952 0.02 . 2 . . . A 41 SER HB2 . 25513 1 459 . 1 1 41 41 SER HB3 H 1 3.300 0.02 . 2 . . . A 41 SER HB3 . 25513 1 460 . 1 1 41 41 SER CA C 13 61.381 0.30 . 1 . . . A 41 SER CA . 25513 1 461 . 1 1 41 41 SER CB C 13 62.756 0.30 . 1 . . . A 41 SER CB . 25513 1 462 . 1 1 42 42 TRP H H 1 6.634 0.02 . 1 . . . A 42 TRP H . 25513 1 463 . 1 1 42 42 TRP HA H 1 4.741 0.02 . 1 . . . A 42 TRP HA . 25513 1 464 . 1 1 42 42 TRP HB2 H 1 3.929 0.02 . 2 . . . A 42 TRP HB2 . 25513 1 465 . 1 1 42 42 TRP HB3 H 1 3.187 0.02 . 2 . . . A 42 TRP HB3 . 25513 1 466 . 1 1 42 42 TRP HD1 H 1 7.374 0.02 . 1 . . . A 42 TRP HD1 . 25513 1 467 . 1 1 42 42 TRP HE1 H 1 10.598 0.02 . 1 . . . A 42 TRP HE1 . 25513 1 468 . 1 1 42 42 TRP HZ2 H 1 6.747 0.02 . 1 . . . A 42 TRP HZ2 . 25513 1 469 . 1 1 42 42 TRP CA C 13 53.608 0.30 . 1 . . . A 42 TRP CA . 25513 1 470 . 1 1 42 42 TRP CB C 13 27.834 0.30 . 1 . . . A 42 TRP CB . 25513 1 471 . 1 1 42 42 TRP CD1 C 13 128.903 0.30 . 1 . . . A 42 TRP CD1 . 25513 1 472 . 1 1 42 42 TRP CZ2 C 13 114.746 0.30 . 1 . . . A 42 TRP CZ2 . 25513 1 473 . 1 1 42 42 TRP N N 15 116.094 0.30 . 1 . . . A 42 TRP N . 25513 1 474 . 1 1 42 42 TRP NE1 N 15 132.962 0.30 . 1 . . . A 42 TRP NE1 . 25513 1 475 . 1 1 43 43 HIS H H 1 7.153 0.02 . 1 . . . A 43 HIS H . 25513 1 476 . 1 1 43 43 HIS HA H 1 4.170 0.02 . 1 . . . A 43 HIS HA . 25513 1 477 . 1 1 43 43 HIS HB2 H 1 3.095 0.02 . 2 . . . A 43 HIS HB2 . 25513 1 478 . 1 1 43 43 HIS HB3 H 1 3.043 0.02 . 2 . . . A 43 HIS HB3 . 25513 1 479 . 1 1 43 43 HIS HD2 H 1 6.677 0.02 . 1 . . . A 43 HIS HD2 . 25513 1 480 . 1 1 43 43 HIS CA C 13 56.294 0.30 . 1 . . . A 43 HIS CA . 25513 1 481 . 1 1 43 43 HIS CB C 13 29.632 0.30 . 1 . . . A 43 HIS CB . 25513 1 482 . 1 1 43 43 HIS CD2 C 13 116.769 0.30 . 1 . . . A 43 HIS CD2 . 25513 1 483 . 1 1 43 43 HIS N N 15 119.626 0.30 . 1 . . . A 43 HIS N . 25513 1 484 . 1 1 44 44 PRO HA H 1 4.877 0.02 . 1 . . . A 44 PRO HA . 25513 1 485 . 1 1 44 44 PRO HB2 H 1 2.461 0.02 . 2 . . . A 44 PRO HB2 . 25513 1 486 . 1 1 44 44 PRO HB3 H 1 2.123 0.02 . 2 . . . A 44 PRO HB3 . 25513 1 487 . 1 1 44 44 PRO HD2 H 1 4.093 0.02 . 2 . . . A 44 PRO HD2 . 25513 1 488 . 1 1 44 44 PRO HD3 H 1 3.435 0.02 . 2 . . . A 44 PRO HD3 . 25513 1 489 . 1 1 44 44 PRO HG2 H 1 1.978 0.02 . 2 . . . A 44 PRO HG2 . 25513 1 490 . 1 1 44 44 PRO HG3 H 1 2.426 0.02 . 2 . . . A 44 PRO HG3 . 25513 1 491 . 1 1 44 44 PRO CA C 13 62.121 0.30 . 1 . . . A 44 PRO CA . 25513 1 492 . 1 1 44 44 PRO CB C 13 31.289 0.30 . 1 . . . A 44 PRO CB . 25513 1 493 . 1 1 44 44 PRO CD C 13 50.930 0.30 . 1 . . . A 44 PRO CD . 25513 1 494 . 1 1 44 44 PRO CG C 13 28.253 0.30 . 1 . . . A 44 PRO CG . 25513 1 495 . 1 1 45 45 PRO HA H 1 4.869 0.02 . 1 . . . A 45 PRO HA . 25513 1 496 . 1 1 45 45 PRO HB2 H 1 1.748 0.02 . 2 . . . A 45 PRO HB2 . 25513 1 497 . 1 1 45 45 PRO HB3 H 1 2.770 0.02 . 2 . . . A 45 PRO HB3 . 25513 1 498 . 1 1 45 45 PRO HD2 H 1 3.445 0.02 . 2 . . . A 45 PRO HD2 . 25513 1 499 . 1 1 45 45 PRO HD3 H 1 4.082 0.02 . 2 . . . A 45 PRO HD3 . 25513 1 500 . 1 1 45 45 PRO HG2 H 1 2.422 0.02 . 2 . . . A 45 PRO HG2 . 25513 1 501 . 1 1 45 45 PRO HG3 H 1 1.978 0.02 . 2 . . . A 45 PRO HG3 . 25513 1 502 . 1 1 45 45 PRO CA C 13 62.656 0.30 . 1 . . . A 45 PRO CA . 25513 1 503 . 1 1 45 45 PRO CB C 13 33.301 0.30 . 1 . . . A 45 PRO CB . 25513 1 504 . 1 1 45 45 PRO CD C 13 51.034 0.30 . 1 . . . A 45 PRO CD . 25513 1 505 . 1 1 45 45 PRO CG C 13 28.146 0.30 . 1 . . . A 45 PRO CG . 25513 1 506 . 1 1 46 46 ARG HA H 1 4.088 0.02 . 1 . . . A 46 ARG HA . 25513 1 507 . 1 1 46 46 ARG HB2 H 1 2.226 0.02 . 2 . . . A 46 ARG HB2 . 25513 1 508 . 1 1 46 46 ARG HB3 H 1 2.321 0.02 . 2 . . . A 46 ARG HB3 . 25513 1 509 . 1 1 46 46 ARG HD2 H 1 3.425 0.02 . 2 . . . A 46 ARG HD2 . 25513 1 510 . 1 1 46 46 ARG HD3 H 1 3.415 0.02 . 2 . . . A 46 ARG HD3 . 25513 1 511 . 1 1 46 46 ARG HG2 H 1 1.861 0.02 . 2 . . . A 46 ARG HG2 . 25513 1 512 . 1 1 46 46 ARG HG3 H 1 1.977 0.02 . 2 . . . A 46 ARG HG3 . 25513 1 513 . 1 1 46 46 ARG CA C 13 60.758 0.30 . 1 . . . A 46 ARG CA . 25513 1 514 . 1 1 46 46 ARG CB C 13 30.539 0.30 . 1 . . . A 46 ARG CB . 25513 1 515 . 1 1 46 46 ARG CD C 13 44.124 0.30 . 1 . . . A 46 ARG CD . 25513 1 516 . 1 1 46 46 ARG CG C 13 27.216 0.30 . 1 . . . A 46 ARG CG . 25513 1 517 . 1 1 47 47 TRP H H 1 8.239 0.02 . 1 . . . A 47 TRP H . 25513 1 518 . 1 1 47 47 TRP HA H 1 4.666 0.02 . 1 . . . A 47 TRP HA . 25513 1 519 . 1 1 47 47 TRP HB2 H 1 3.809 0.02 . 2 . . . A 47 TRP HB2 . 25513 1 520 . 1 1 47 47 TRP HB3 H 1 3.452 0.02 . 2 . . . A 47 TRP HB3 . 25513 1 521 . 1 1 47 47 TRP HD1 H 1 7.836 0.02 . 1 . . . A 47 TRP HD1 . 25513 1 522 . 1 1 47 47 TRP HE1 H 1 11.159 0.02 . 1 . . . A 47 TRP HE1 . 25513 1 523 . 1 1 47 47 TRP HZ2 H 1 7.615 0.02 . 1 . . . A 47 TRP HZ2 . 25513 1 524 . 1 1 47 47 TRP CA C 13 58.940 0.30 . 1 . . . A 47 TRP CA . 25513 1 525 . 1 1 47 47 TRP CB C 13 28.525 0.30 . 1 . . . A 47 TRP CB . 25513 1 526 . 1 1 47 47 TRP CD1 C 13 128.886 0.30 . 1 . . . A 47 TRP CD1 . 25513 1 527 . 1 1 47 47 TRP CZ2 C 13 115.216 0.30 . 1 . . . A 47 TRP CZ2 . 25513 1 528 . 1 1 47 47 TRP N N 15 115.686 0.30 . 1 . . . A 47 TRP N . 25513 1 529 . 1 1 47 47 TRP NE1 N 15 132.922 0.30 . 1 . . . A 47 TRP NE1 . 25513 1 530 . 1 1 48 48 THR H H 1 6.889 0.02 . 1 . . . A 48 THR H . 25513 1 531 . 1 1 48 48 THR HA H 1 3.618 0.02 . 1 . . . A 48 THR HA . 25513 1 532 . 1 1 48 48 THR HB H 1 3.761 0.02 . 1 . . . A 48 THR HB . 25513 1 533 . 1 1 48 48 THR HG21 H 1 -0.122 0.02 . 1 . . . A 48 THR HG2 . 25513 1 534 . 1 1 48 48 THR HG22 H 1 -0.122 0.02 . 1 . . . A 48 THR HG2 . 25513 1 535 . 1 1 48 48 THR HG23 H 1 -0.122 0.02 . 1 . . . A 48 THR HG2 . 25513 1 536 . 1 1 48 48 THR CA C 13 63.721 0.30 . 1 . . . A 48 THR CA . 25513 1 537 . 1 1 48 48 THR CB C 13 70.042 0.30 . 1 . . . A 48 THR CB . 25513 1 538 . 1 1 48 48 THR CG2 C 13 21.539 0.30 . 1 . . . A 48 THR CG2 . 25513 1 539 . 1 1 48 48 THR N N 15 108.252 0.30 . 1 . . . A 48 THR N . 25513 1 540 . 1 1 49 49 LEU H H 1 7.271 0.02 . 1 . . . A 49 LEU H . 25513 1 541 . 1 1 49 49 LEU HA H 1 4.075 0.02 . 1 . . . A 49 LEU HA . 25513 1 542 . 1 1 49 49 LEU HB2 H 1 2.125 0.02 . 2 . . . A 49 LEU HB2 . 25513 1 543 . 1 1 49 49 LEU HB3 H 1 1.673 0.02 . 2 . . . A 49 LEU HB3 . 25513 1 544 . 1 1 49 49 LEU HD11 H 1 1.356 0.02 . 1 . . . A 49 LEU HD1 . 25513 1 545 . 1 1 49 49 LEU HD12 H 1 1.356 0.02 . 1 . . . A 49 LEU HD1 . 25513 1 546 . 1 1 49 49 LEU HD13 H 1 1.356 0.02 . 1 . . . A 49 LEU HD1 . 25513 1 547 . 1 1 49 49 LEU HD21 H 1 1.353 0.02 . 1 . . . A 49 LEU HD2 . 25513 1 548 . 1 1 49 49 LEU HD22 H 1 1.353 0.02 . 1 . . . A 49 LEU HD2 . 25513 1 549 . 1 1 49 49 LEU HD23 H 1 1.353 0.02 . 1 . . . A 49 LEU HD2 . 25513 1 550 . 1 1 49 49 LEU HG H 1 2.153 0.02 . 1 . . . A 49 LEU HG . 25513 1 551 . 1 1 49 49 LEU CA C 13 59.452 0.30 . 1 . . . A 49 LEU CA . 25513 1 552 . 1 1 49 49 LEU CB C 13 42.253 0.30 . 1 . . . A 49 LEU CB . 25513 1 553 . 1 1 49 49 LEU CD1 C 13 27.402 0.30 . 1 . . . A 49 LEU CD1 . 25513 1 554 . 1 1 49 49 LEU CD2 C 13 23.494 0.30 . 1 . . . A 49 LEU CD2 . 25513 1 555 . 1 1 49 49 LEU CG C 13 27.558 0.30 . 1 . . . A 49 LEU CG . 25513 1 556 . 1 1 49 49 LEU N N 15 120.364 0.30 . 1 . . . A 49 LEU N . 25513 1 557 . 1 1 50 50 ALA H H 1 9.196 0.02 . 1 . . . A 50 ALA H . 25513 1 558 . 1 1 50 50 ALA HA H 1 4.500 0.02 . 1 . . . A 50 ALA HA . 25513 1 559 . 1 1 50 50 ALA HB1 H 1 1.587 0.02 . 1 . . . A 50 ALA HB . 25513 1 560 . 1 1 50 50 ALA HB2 H 1 1.587 0.02 . 1 . . . A 50 ALA HB . 25513 1 561 . 1 1 50 50 ALA HB3 H 1 1.587 0.02 . 1 . . . A 50 ALA HB . 25513 1 562 . 1 1 50 50 ALA CA C 13 57.146 0.30 . 1 . . . A 50 ALA CA . 25513 1 563 . 1 1 50 50 ALA CB C 13 15.958 0.30 . 1 . . . A 50 ALA CB . 25513 1 564 . 1 1 50 50 ALA N N 15 120.749 0.30 . 1 . . . A 50 ALA N . 25513 1 565 . 1 1 51 51 PRO HA H 1 4.464 0.02 . 1 . . . A 51 PRO HA . 25513 1 566 . 1 1 51 51 PRO HB2 H 1 2.211 0.02 . 2 . . . A 51 PRO HB2 . 25513 1 567 . 1 1 51 51 PRO HB3 H 1 2.057 0.02 . 2 . . . A 51 PRO HB3 . 25513 1 568 . 1 1 51 51 PRO HD2 H 1 3.830 0.02 . 2 . . . A 51 PRO HD2 . 25513 1 569 . 1 1 51 51 PRO HD3 H 1 3.844 0.02 . 2 . . . A 51 PRO HD3 . 25513 1 570 . 1 1 51 51 PRO HG2 H 1 1.750 0.02 . 2 . . . A 51 PRO HG2 . 25513 1 571 . 1 1 51 51 PRO HG3 H 1 1.716 0.02 . 2 . . . A 51 PRO HG3 . 25513 1 572 . 1 1 51 51 PRO CA C 13 59.296 0.30 . 1 . . . A 51 PRO CA . 25513 1 573 . 1 1 51 51 PRO CB C 13 31.092 0.30 . 1 . . . A 51 PRO CB . 25513 1 574 . 1 1 51 51 PRO CD C 13 50.869 0.30 . 1 . . . A 51 PRO CD . 25513 1 575 . 1 1 51 51 PRO CG C 13 27.532 0.30 . 1 . . . A 51 PRO CG . 25513 1 576 . 1 1 52 52 ILE H H 1 7.651 0.02 . 1 . . . A 52 ILE H . 25513 1 577 . 1 1 52 52 ILE HA H 1 3.223 0.02 . 1 . . . A 52 ILE HA . 25513 1 578 . 1 1 52 52 ILE HB H 1 1.330 0.02 . 1 . . . A 52 ILE HB . 25513 1 579 . 1 1 52 52 ILE HD11 H 1 0.178 0.02 . 1 . . . A 52 ILE HD1 . 25513 1 580 . 1 1 52 52 ILE HD12 H 1 0.178 0.02 . 1 . . . A 52 ILE HD1 . 25513 1 581 . 1 1 52 52 ILE HD13 H 1 0.178 0.02 . 1 . . . A 52 ILE HD1 . 25513 1 582 . 1 1 52 52 ILE HG12 H 1 1.643 0.02 . 2 . . . A 52 ILE HG12 . 25513 1 583 . 1 1 52 52 ILE HG13 H 1 0.259 0.02 . 2 . . . A 52 ILE HG13 . 25513 1 584 . 1 1 52 52 ILE HG21 H 1 -1.003 0.02 . 1 . . . A 52 ILE HG2 . 25513 1 585 . 1 1 52 52 ILE HG22 H 1 -1.003 0.02 . 1 . . . A 52 ILE HG2 . 25513 1 586 . 1 1 52 52 ILE HG23 H 1 -1.003 0.02 . 1 . . . A 52 ILE HG2 . 25513 1 587 . 1 1 52 52 ILE CA C 13 67.041 0.30 . 1 . . . A 52 ILE CA . 25513 1 588 . 1 1 52 52 ILE CB C 13 37.771 0.30 . 1 . . . A 52 ILE CB . 25513 1 589 . 1 1 52 52 ILE CD1 C 13 13.874 0.30 . 1 . . . A 52 ILE CD1 . 25513 1 590 . 1 1 52 52 ILE CG1 C 13 30.506 0.30 . 1 . . . A 52 ILE CG1 . 25513 1 591 . 1 1 52 52 ILE CG2 C 13 14.656 0.30 . 1 . . . A 52 ILE CG2 . 25513 1 592 . 1 1 52 52 ILE N N 15 119.205 0.30 . 1 . . . A 52 ILE N . 25513 1 593 . 1 1 53 53 TRP H H 1 8.394 0.02 . 1 . . . A 53 TRP H . 25513 1 594 . 1 1 53 53 TRP HA H 1 3.950 0.02 . 1 . . . A 53 TRP HA . 25513 1 595 . 1 1 53 53 TRP HB2 H 1 3.085 0.02 . 2 . . . A 53 TRP HB2 . 25513 1 596 . 1 1 53 53 TRP HB3 H 1 3.059 0.02 . 2 . . . A 53 TRP HB3 . 25513 1 597 . 1 1 53 53 TRP HD1 H 1 7.010 0.02 . 1 . . . A 53 TRP HD1 . 25513 1 598 . 1 1 53 53 TRP HE1 H 1 10.403 0.02 . 1 . . . A 53 TRP HE1 . 25513 1 599 . 1 1 53 53 TRP HZ2 H 1 5.646 0.02 . 1 . . . A 53 TRP HZ2 . 25513 1 600 . 1 1 53 53 TRP CA C 13 62.189 0.30 . 1 . . . A 53 TRP CA . 25513 1 601 . 1 1 53 53 TRP CB C 13 30.241 0.30 . 1 . . . A 53 TRP CB . 25513 1 602 . 1 1 53 53 TRP CD1 C 13 127.288 0.30 . 1 . . . A 53 TRP CD1 . 25513 1 603 . 1 1 53 53 TRP CZ2 C 13 113.402 0.30 . 1 . . . A 53 TRP CZ2 . 25513 1 604 . 1 1 53 53 TRP N N 15 119.085 0.30 . 1 . . . A 53 TRP N . 25513 1 605 . 1 1 53 53 TRP NE1 N 15 129.174 0.30 . 1 . . . A 53 TRP NE1 . 25513 1 606 . 1 1 54 54 GLY H H 1 9.422 0.02 . 1 . . . A 54 GLY H . 25513 1 607 . 1 1 54 54 GLY HA2 H 1 3.712 0.02 . 2 . . . A 54 GLY HA2 . 25513 1 608 . 1 1 54 54 GLY HA3 H 1 4.164 0.02 . 2 . . . A 54 GLY HA3 . 25513 1 609 . 1 1 54 54 GLY CA C 13 48.162 0.30 . 1 . . . A 54 GLY CA . 25513 1 610 . 1 1 54 54 GLY N N 15 106.031 0.30 . 1 . . . A 54 GLY N . 25513 1 611 . 1 1 55 55 THR H H 1 7.843 0.02 . 1 . . . A 55 THR H . 25513 1 612 . 1 1 55 55 THR HA H 1 3.902 0.02 . 1 . . . A 55 THR HA . 25513 1 613 . 1 1 55 55 THR HB H 1 4.250 0.02 . 1 . . . A 55 THR HB . 25513 1 614 . 1 1 55 55 THR HG21 H 1 1.111 0.02 . 1 . . . A 55 THR HG2 . 25513 1 615 . 1 1 55 55 THR HG22 H 1 1.111 0.02 . 1 . . . A 55 THR HG2 . 25513 1 616 . 1 1 55 55 THR HG23 H 1 1.111 0.02 . 1 . . . A 55 THR HG2 . 25513 1 617 . 1 1 55 55 THR CA C 13 68.783 0.30 . 1 . . . A 55 THR CA . 25513 1 618 . 1 1 55 55 THR CB C 13 67.913 0.30 . 1 . . . A 55 THR CB . 25513 1 619 . 1 1 55 55 THR CG2 C 13 21.482 0.30 . 1 . . . A 55 THR CG2 . 25513 1 620 . 1 1 55 55 THR N N 15 120.975 0.30 . 1 . . . A 55 THR N . 25513 1 621 . 1 1 56 56 LEU H H 1 8.434 0.02 . 1 . . . A 56 LEU H . 25513 1 622 . 1 1 56 56 LEU HA H 1 4.008 0.02 . 1 . . . A 56 LEU HA . 25513 1 623 . 1 1 56 56 LEU HB2 H 1 0.823 0.02 . 2 . . . A 56 LEU HB2 . 25513 1 624 . 1 1 56 56 LEU HB3 H 1 1.238 0.02 . 2 . . . A 56 LEU HB3 . 25513 1 625 . 1 1 56 56 LEU HD11 H 1 -0.232 0.02 . 1 . . . A 56 LEU HD1 . 25513 1 626 . 1 1 56 56 LEU HD12 H 1 -0.232 0.02 . 1 . . . A 56 LEU HD1 . 25513 1 627 . 1 1 56 56 LEU HD13 H 1 -0.232 0.02 . 1 . . . A 56 LEU HD1 . 25513 1 628 . 1 1 56 56 LEU HD21 H 1 0.517 0.02 . 1 . . . A 56 LEU HD2 . 25513 1 629 . 1 1 56 56 LEU HD22 H 1 0.517 0.02 . 1 . . . A 56 LEU HD2 . 25513 1 630 . 1 1 56 56 LEU HD23 H 1 0.517 0.02 . 1 . . . A 56 LEU HD2 . 25513 1 631 . 1 1 56 56 LEU HG H 1 1.600 0.02 . 1 . . . A 56 LEU HG . 25513 1 632 . 1 1 56 56 LEU CA C 13 58.602 0.30 . 1 . . . A 56 LEU CA . 25513 1 633 . 1 1 56 56 LEU CB C 13 41.967 0.30 . 1 . . . A 56 LEU CB . 25513 1 634 . 1 1 56 56 LEU CD1 C 13 27.307 0.30 . 1 . . . A 56 LEU CD1 . 25513 1 635 . 1 1 56 56 LEU CD2 C 13 21.915 0.30 . 1 . . . A 56 LEU CD2 . 25513 1 636 . 1 1 56 56 LEU CG C 13 25.602 0.30 . 1 . . . A 56 LEU CG . 25513 1 637 . 1 1 56 56 LEU N N 15 121.106 0.30 . 1 . . . A 56 LEU N . 25513 1 638 . 1 1 57 57 TYR H H 1 9.408 0.02 . 1 . . . A 57 TYR H . 25513 1 639 . 1 1 57 57 TYR HA H 1 4.757 0.02 . 1 . . . A 57 TYR HA . 25513 1 640 . 1 1 57 57 TYR HB2 H 1 3.702 0.02 . 2 . . . A 57 TYR HB2 . 25513 1 641 . 1 1 57 57 TYR HB3 H 1 3.301 0.02 . 2 . . . A 57 TYR HB3 . 25513 1 642 . 1 1 57 57 TYR HD1 H 1 7.042 0.02 . 3 . . . A 57 TYR HD1 . 25513 1 643 . 1 1 57 57 TYR HD2 H 1 7.042 0.02 . 3 . . . A 57 TYR HD2 . 25513 1 644 . 1 1 57 57 TYR HE1 H 1 6.847 0.02 . 1 . . . A 57 TYR HE1 . 25513 1 645 . 1 1 57 57 TYR HE2 H 1 6.847 0.02 . 1 . . . A 57 TYR HE2 . 25513 1 646 . 1 1 57 57 TYR CA C 13 60.598 0.30 . 1 . . . A 57 TYR CA . 25513 1 647 . 1 1 57 57 TYR CB C 13 39.215 0.30 . 1 . . . A 57 TYR CB . 25513 1 648 . 1 1 57 57 TYR CD1 C 13 131.163 0.30 . 1 . . . A 57 TYR CD1 . 25513 1 649 . 1 1 57 57 TYR CD2 C 13 131.161 0.30 . 1 . . . A 57 TYR CD2 . 25513 1 650 . 1 1 57 57 TYR CE1 C 13 118.623 0.30 . 1 . . . A 57 TYR CE1 . 25513 1 651 . 1 1 57 57 TYR CE2 C 13 118.623 0.30 . 1 . . . A 57 TYR CE2 . 25513 1 652 . 1 1 57 57 TYR N N 15 118.953 0.30 . 1 . . . A 57 TYR N . 25513 1 653 . 1 1 58 58 SER H H 1 7.719 0.02 . 1 . . . A 58 SER H . 25513 1 654 . 1 1 58 58 SER HA H 1 4.901 0.02 . 1 . . . A 58 SER HA . 25513 1 655 . 1 1 58 58 SER HB2 H 1 3.805 0.02 . 2 . . . A 58 SER HB2 . 25513 1 656 . 1 1 58 58 SER HB3 H 1 4.234 0.02 . 2 . . . A 58 SER HB3 . 25513 1 657 . 1 1 58 58 SER CA C 13 62.860 0.30 . 1 . . . A 58 SER CA . 25513 1 658 . 1 1 58 58 SER CB C 13 63.320 0.30 . 1 . . . A 58 SER CB . 25513 1 659 . 1 1 58 58 SER N N 15 115.425 0.30 . 1 . . . A 58 SER N . 25513 1 660 . 1 1 59 59 ALA H H 1 8.806 0.02 . 1 . . . A 59 ALA H . 25513 1 661 . 1 1 59 59 ALA HA H 1 4.326 0.02 . 1 . . . A 59 ALA HA . 25513 1 662 . 1 1 59 59 ALA HB1 H 1 1.734 0.02 . 1 . . . A 59 ALA HB . 25513 1 663 . 1 1 59 59 ALA HB2 H 1 1.734 0.02 . 1 . . . A 59 ALA HB . 25513 1 664 . 1 1 59 59 ALA HB3 H 1 1.734 0.02 . 1 . . . A 59 ALA HB . 25513 1 665 . 1 1 59 59 ALA CA C 13 56.085 0.30 . 1 . . . A 59 ALA CA . 25513 1 666 . 1 1 59 59 ALA CB C 13 18.532 0.30 . 1 . . . A 59 ALA CB . 25513 1 667 . 1 1 59 59 ALA N N 15 124.287 0.30 . 1 . . . A 59 ALA N . 25513 1 668 . 1 1 60 60 MET H H 1 8.519 0.02 . 1 . . . A 60 MET H . 25513 1 669 . 1 1 60 60 MET HA H 1 4.502 0.02 . 1 . . . A 60 MET HA . 25513 1 670 . 1 1 60 60 MET HB2 H 1 2.261 0.02 . 2 . . . A 60 MET HB2 . 25513 1 671 . 1 1 60 60 MET HB3 H 1 2.240 0.02 . 2 . . . A 60 MET HB3 . 25513 1 672 . 1 1 60 60 MET HE1 H 1 1.208 0.02 . 1 . . . A 60 MET HE . 25513 1 673 . 1 1 60 60 MET HE2 H 1 1.208 0.02 . 1 . . . A 60 MET HE . 25513 1 674 . 1 1 60 60 MET HE3 H 1 1.208 0.02 . 1 . . . A 60 MET HE . 25513 1 675 . 1 1 60 60 MET HG2 H 1 2.240 0.02 . 2 . . . A 60 MET HG2 . 25513 1 676 . 1 1 60 60 MET HG3 H 1 2.276 0.02 . 2 . . . A 60 MET HG3 . 25513 1 677 . 1 1 60 60 MET CA C 13 59.365 0.30 . 1 . . . A 60 MET CA . 25513 1 678 . 1 1 60 60 MET CB C 13 32.257 0.30 . 1 . . . A 60 MET CB . 25513 1 679 . 1 1 60 60 MET CE C 13 13.547 0.30 . 1 . . . A 60 MET CE . 25513 1 680 . 1 1 60 60 MET CG C 13 32.175 0.30 . 1 . . . A 60 MET CG . 25513 1 681 . 1 1 60 60 MET N N 15 116.209 0.30 . 1 . . . A 60 MET N . 25513 1 682 . 1 1 61 61 GLY H H 1 8.660 0.02 . 1 . . . A 61 GLY H . 25513 1 683 . 1 1 61 61 GLY HA2 H 1 4.578 0.02 . 2 . . . A 61 GLY HA2 . 25513 1 684 . 1 1 61 61 GLY HA3 H 1 3.880 0.02 . 2 . . . A 61 GLY HA3 . 25513 1 685 . 1 1 61 61 GLY CA C 13 48.338 0.30 . 1 . . . A 61 GLY CA . 25513 1 686 . 1 1 61 61 GLY N N 15 111.700 0.30 . 1 . . . A 61 GLY N . 25513 1 687 . 1 1 62 62 TYR H H 1 9.353 0.02 . 1 . . . A 62 TYR H . 25513 1 688 . 1 1 62 62 TYR HA H 1 4.532 0.02 . 1 . . . A 62 TYR HA . 25513 1 689 . 1 1 62 62 TYR HB2 H 1 3.513 0.02 . 2 . . . A 62 TYR HB2 . 25513 1 690 . 1 1 62 62 TYR HB3 H 1 3.033 0.02 . 2 . . . A 62 TYR HB3 . 25513 1 691 . 1 1 62 62 TYR HD1 H 1 7.109 0.02 . 1 . . . A 62 TYR HD1 . 25513 1 692 . 1 1 62 62 TYR HD2 H 1 7.109 0.02 . 1 . . . A 62 TYR HD2 . 25513 1 693 . 1 1 62 62 TYR HE1 H 1 6.764 0.02 . 3 . . . A 62 TYR HE1 . 25513 1 694 . 1 1 62 62 TYR HE2 H 1 6.767 0.02 . 3 . . . A 62 TYR HE2 . 25513 1 695 . 1 1 62 62 TYR CA C 13 62.512 0.30 . 1 . . . A 62 TYR CA . 25513 1 696 . 1 1 62 62 TYR CB C 13 38.494 0.30 . 1 . . . A 62 TYR CB . 25513 1 697 . 1 1 62 62 TYR CD1 C 13 133.090 0.30 . 1 . . . A 62 TYR CD1 . 25513 1 698 . 1 1 62 62 TYR CD2 C 13 133.090 0.30 . 1 . . . A 62 TYR CD2 . 25513 1 699 . 1 1 62 62 TYR CE1 C 13 118.084 0.30 . 1 . . . A 62 TYR CE1 . 25513 1 700 . 1 1 62 62 TYR CE2 C 13 118.076 0.30 . 1 . . . A 62 TYR CE2 . 25513 1 701 . 1 1 62 62 TYR N N 15 127.832 0.30 . 1 . . . A 62 TYR N . 25513 1 702 . 1 1 63 63 GLY H H 1 8.893 0.02 . 1 . . . A 63 GLY H . 25513 1 703 . 1 1 63 63 GLY HA2 H 1 1.277 0.02 . 2 . . . A 63 GLY HA2 . 25513 1 704 . 1 1 63 63 GLY HA3 H 1 3.941 0.02 . 2 . . . A 63 GLY HA3 . 25513 1 705 . 1 1 63 63 GLY CA C 13 48.930 0.30 . 1 . . . A 63 GLY CA . 25513 1 706 . 1 1 63 63 GLY N N 15 107.240 0.30 . 1 . . . A 63 GLY N . 25513 1 707 . 1 1 64 64 SER H H 1 8.476 0.02 . 1 . . . A 64 SER H . 25513 1 708 . 1 1 64 64 SER HA H 1 3.286 0.02 . 1 . . . A 64 SER HA . 25513 1 709 . 1 1 64 64 SER HB2 H 1 3.158 0.02 . 2 . . . A 64 SER HB2 . 25513 1 710 . 1 1 64 64 SER HB3 H 1 3.728 0.02 . 2 . . . A 64 SER HB3 . 25513 1 711 . 1 1 64 64 SER CA C 13 62.328 0.30 . 1 . . . A 64 SER CA . 25513 1 712 . 1 1 64 64 SER CB C 13 62.414 0.30 . 1 . . . A 64 SER CB . 25513 1 713 . 1 1 64 64 SER N N 15 118.762 0.30 . 1 . . . A 64 SER N . 25513 1 714 . 1 1 65 65 TYR H H 1 7.395 0.02 . 1 . . . A 65 TYR H . 25513 1 715 . 1 1 65 65 TYR HA H 1 4.371 0.02 . 1 . . . A 65 TYR HA . 25513 1 716 . 1 1 65 65 TYR HB2 H 1 3.410 0.02 . 2 . . . A 65 TYR HB2 . 25513 1 717 . 1 1 65 65 TYR HB3 H 1 3.062 0.02 . 2 . . . A 65 TYR HB3 . 25513 1 718 . 1 1 65 65 TYR HD1 H 1 6.750 0.02 . 1 . . . A 65 TYR HD1 . 25513 1 719 . 1 1 65 65 TYR HD2 H 1 6.750 0.02 . 1 . . . A 65 TYR HD2 . 25513 1 720 . 1 1 65 65 TYR HE1 H 1 6.756 0.02 . 3 . . . A 65 TYR HE1 . 25513 1 721 . 1 1 65 65 TYR HE2 H 1 6.756 0.02 . 3 . . . A 65 TYR HE2 . 25513 1 722 . 1 1 65 65 TYR CA C 13 60.340 0.30 . 1 . . . A 65 TYR CA . 25513 1 723 . 1 1 65 65 TYR CB C 13 36.940 0.30 . 1 . . . A 65 TYR CB . 25513 1 724 . 1 1 65 65 TYR CD1 C 13 133.877 0.30 . 1 . . . A 65 TYR CD1 . 25513 1 725 . 1 1 65 65 TYR CD2 C 13 133.877 0.30 . 1 . . . A 65 TYR CD2 . 25513 1 726 . 1 1 65 65 TYR CE1 C 13 118.155 0.30 . 1 . . . A 65 TYR CE1 . 25513 1 727 . 1 1 65 65 TYR CE2 C 13 118.155 0.30 . 1 . . . A 65 TYR CE2 . 25513 1 728 . 1 1 65 65 TYR N N 15 125.184 0.30 . 1 . . . A 65 TYR N . 25513 1 729 . 1 1 66 66 ILE H H 1 7.870 0.02 . 1 . . . A 66 ILE H . 25513 1 730 . 1 1 66 66 ILE HA H 1 3.083 0.02 . 1 . . . A 66 ILE HA . 25513 1 731 . 1 1 66 66 ILE HB H 1 1.943 0.02 . 1 . . . A 66 ILE HB . 25513 1 732 . 1 1 66 66 ILE HD11 H 1 0.722 0.02 . 1 . . . A 66 ILE HD1 . 25513 1 733 . 1 1 66 66 ILE HD12 H 1 0.722 0.02 . 1 . . . A 66 ILE HD1 . 25513 1 734 . 1 1 66 66 ILE HD13 H 1 0.722 0.02 . 1 . . . A 66 ILE HD1 . 25513 1 735 . 1 1 66 66 ILE HG12 H 1 0.888 0.02 . 2 . . . A 66 ILE HG12 . 25513 1 736 . 1 1 66 66 ILE HG13 H 1 1.389 0.02 . 2 . . . A 66 ILE HG13 . 25513 1 737 . 1 1 66 66 ILE HG21 H 1 0.788 0.02 . 1 . . . A 66 ILE HG2 . 25513 1 738 . 1 1 66 66 ILE HG22 H 1 0.788 0.02 . 1 . . . A 66 ILE HG2 . 25513 1 739 . 1 1 66 66 ILE HG23 H 1 0.788 0.02 . 1 . . . A 66 ILE HG2 . 25513 1 740 . 1 1 66 66 ILE CA C 13 65.585 0.30 . 1 . . . A 66 ILE CA . 25513 1 741 . 1 1 66 66 ILE CB C 13 36.957 0.30 . 1 . . . A 66 ILE CB . 25513 1 742 . 1 1 66 66 ILE CD1 C 13 12.937 0.30 . 1 . . . A 66 ILE CD1 . 25513 1 743 . 1 1 66 66 ILE CG1 C 13 27.854 0.30 . 1 . . . A 66 ILE CG1 . 25513 1 744 . 1 1 66 66 ILE CG2 C 13 18.317 0.30 . 1 . . . A 66 ILE CG2 . 25513 1 745 . 1 1 66 66 ILE N N 15 121.447 0.30 . 1 . . . A 66 ILE N . 25513 1 746 . 1 1 67 67 VAL H H 1 7.491 0.02 . 1 . . . A 67 VAL H . 25513 1 747 . 1 1 67 67 VAL HA H 1 3.076 0.02 . 1 . . . A 67 VAL HA . 25513 1 748 . 1 1 67 67 VAL HB H 1 1.361 0.02 . 1 . . . A 67 VAL HB . 25513 1 749 . 1 1 67 67 VAL HG11 H 1 0.473 0.02 . 1 . . . A 67 VAL HG1 . 25513 1 750 . 1 1 67 67 VAL HG12 H 1 0.473 0.02 . 1 . . . A 67 VAL HG1 . 25513 1 751 . 1 1 67 67 VAL HG13 H 1 0.473 0.02 . 1 . . . A 67 VAL HG1 . 25513 1 752 . 1 1 67 67 VAL HG21 H 1 -0.317 0.02 . 1 . . . A 67 VAL HG2 . 25513 1 753 . 1 1 67 67 VAL HG22 H 1 -0.317 0.02 . 1 . . . A 67 VAL HG2 . 25513 1 754 . 1 1 67 67 VAL HG23 H 1 -0.317 0.02 . 1 . . . A 67 VAL HG2 . 25513 1 755 . 1 1 67 67 VAL CA C 13 67.918 0.30 . 1 . . . A 67 VAL CA . 25513 1 756 . 1 1 67 67 VAL CB C 13 31.492 0.30 . 1 . . . A 67 VAL CB . 25513 1 757 . 1 1 67 67 VAL CG1 C 13 21.914 0.30 . 1 . . . A 67 VAL CG1 . 25513 1 758 . 1 1 67 67 VAL CG2 C 13 21.864 0.30 . 1 . . . A 67 VAL CG2 . 25513 1 759 . 1 1 67 67 VAL N N 15 119.329 0.30 . 1 . . . A 67 VAL N . 25513 1 760 . 1 1 68 68 TRP H H 1 8.308 0.02 . 1 . . . A 68 TRP H . 25513 1 761 . 1 1 68 68 TRP HA H 1 3.739 0.02 . 1 . . . A 68 TRP HA . 25513 1 762 . 1 1 68 68 TRP HB2 H 1 3.156 0.02 . 2 . . . A 68 TRP HB2 . 25513 1 763 . 1 1 68 68 TRP HB3 H 1 2.447 0.02 . 2 . . . A 68 TRP HB3 . 25513 1 764 . 1 1 68 68 TRP HD1 H 1 7.479 0.02 . 1 . . . A 68 TRP HD1 . 25513 1 765 . 1 1 68 68 TRP HE1 H 1 9.182 0.02 . 1 . . . A 68 TRP HE1 . 25513 1 766 . 1 1 68 68 TRP HZ2 H 1 7.632 0.02 . 1 . . . A 68 TRP HZ2 . 25513 1 767 . 1 1 68 68 TRP CA C 13 62.339 0.30 . 1 . . . A 68 TRP CA . 25513 1 768 . 1 1 68 68 TRP CB C 13 29.343 0.30 . 1 . . . A 68 TRP CB . 25513 1 769 . 1 1 68 68 TRP CD1 C 13 126.948 0.30 . 1 . . . A 68 TRP CD1 . 25513 1 770 . 1 1 68 68 TRP CZ2 C 13 115.272 0.30 . 1 . . . A 68 TRP CZ2 . 25513 1 771 . 1 1 68 68 TRP N N 15 120.977 0.30 . 1 . . . A 68 TRP N . 25513 1 772 . 1 1 68 68 TRP NE1 N 15 128.819 0.30 . 1 . . . A 68 TRP NE1 . 25513 1 773 . 1 1 69 69 LYS H H 1 8.842 0.02 . 1 . . . A 69 LYS H . 25513 1 774 . 1 1 69 69 LYS HA H 1 3.419 0.02 . 1 . . . A 69 LYS HA . 25513 1 775 . 1 1 69 69 LYS HB2 H 1 1.543 0.02 . 2 . . . A 69 LYS HB2 . 25513 1 776 . 1 1 69 69 LYS HB3 H 1 1.652 0.02 . 2 . . . A 69 LYS HB3 . 25513 1 777 . 1 1 69 69 LYS HD2 H 1 1.643 0.02 . 2 . . . A 69 LYS HD2 . 25513 1 778 . 1 1 69 69 LYS HD3 H 1 1.601 0.02 . 2 . . . A 69 LYS HD3 . 25513 1 779 . 1 1 69 69 LYS HE2 H 1 2.949 0.02 . 2 . . . A 69 LYS HE2 . 25513 1 780 . 1 1 69 69 LYS HE3 H 1 2.883 0.02 . 2 . . . A 69 LYS HE3 . 25513 1 781 . 1 1 69 69 LYS HG2 H 1 1.279 0.02 . 2 . . . A 69 LYS HG2 . 25513 1 782 . 1 1 69 69 LYS HG3 H 1 1.301 0.02 . 2 . . . A 69 LYS HG3 . 25513 1 783 . 1 1 69 69 LYS CA C 13 59.370 0.30 . 1 . . . A 69 LYS CA . 25513 1 784 . 1 1 69 69 LYS CB C 13 32.258 0.30 . 1 . . . A 69 LYS CB . 25513 1 785 . 1 1 69 69 LYS CD C 13 29.557 0.30 . 1 . . . A 69 LYS CD . 25513 1 786 . 1 1 69 69 LYS CE C 13 42.048 0.30 . 1 . . . A 69 LYS CE . 25513 1 787 . 1 1 69 69 LYS CG C 13 24.775 0.30 . 1 . . . A 69 LYS CG . 25513 1 788 . 1 1 69 69 LYS N N 15 119.135 0.30 . 1 . . . A 69 LYS N . 25513 1 789 . 1 1 70 70 GLU H H 1 8.318 0.02 . 1 . . . A 70 GLU H . 25513 1 790 . 1 1 70 70 GLU HA H 1 4.006 0.02 . 1 . . . A 70 GLU HA . 25513 1 791 . 1 1 70 70 GLU HB2 H 1 1.969 0.02 . 2 . . . A 70 GLU HB2 . 25513 1 792 . 1 1 70 70 GLU HB3 H 1 2.015 0.02 . 2 . . . A 70 GLU HB3 . 25513 1 793 . 1 1 70 70 GLU HG2 H 1 2.457 0.02 . 2 . . . A 70 GLU HG2 . 25513 1 794 . 1 1 70 70 GLU HG3 H 1 2.186 0.02 . 2 . . . A 70 GLU HG3 . 25513 1 795 . 1 1 70 70 GLU CA C 13 58.871 0.30 . 1 . . . A 70 GLU CA . 25513 1 796 . 1 1 70 70 GLU CB C 13 29.556 0.30 . 1 . . . A 70 GLU CB . 25513 1 797 . 1 1 70 70 GLU CG C 13 35.984 0.30 . 1 . . . A 70 GLU CG . 25513 1 798 . 1 1 70 70 GLU N N 15 120.864 0.30 . 1 . . . A 70 GLU N . 25513 1 799 . 1 1 71 71 LEU H H 1 7.772 0.02 . 1 . . . A 71 LEU H . 25513 1 800 . 1 1 71 71 LEU HA H 1 4.295 0.02 . 1 . . . A 71 LEU HA . 25513 1 801 . 1 1 71 71 LEU HB2 H 1 1.513 0.02 . 2 . . . A 71 LEU HB2 . 25513 1 802 . 1 1 71 71 LEU HB3 H 1 1.699 0.02 . 2 . . . A 71 LEU HB3 . 25513 1 803 . 1 1 71 71 LEU HD11 H 1 0.798 0.02 . 1 . . . A 71 LEU HD1 . 25513 1 804 . 1 1 71 71 LEU HD12 H 1 0.798 0.02 . 1 . . . A 71 LEU HD1 . 25513 1 805 . 1 1 71 71 LEU HD13 H 1 0.798 0.02 . 1 . . . A 71 LEU HD1 . 25513 1 806 . 1 1 71 71 LEU HD21 H 1 0.873 0.02 . 1 . . . A 71 LEU HD2 . 25513 1 807 . 1 1 71 71 LEU HD22 H 1 0.873 0.02 . 1 . . . A 71 LEU HD2 . 25513 1 808 . 1 1 71 71 LEU HD23 H 1 0.873 0.02 . 1 . . . A 71 LEU HD2 . 25513 1 809 . 1 1 71 71 LEU HG H 1 1.822 0.02 . 1 . . . A 71 LEU HG . 25513 1 810 . 1 1 71 71 LEU CA C 13 55.347 0.30 . 1 . . . A 71 LEU CA . 25513 1 811 . 1 1 71 71 LEU CB C 13 42.092 0.30 . 1 . . . A 71 LEU CB . 25513 1 812 . 1 1 71 71 LEU CD1 C 13 27.163 0.30 . 1 . . . A 71 LEU CD1 . 25513 1 813 . 1 1 71 71 LEU CD2 C 13 22.954 0.30 . 1 . . . A 71 LEU CD2 . 25513 1 814 . 1 1 71 71 LEU CG C 13 26.676 0.30 . 1 . . . A 71 LEU CG . 25513 1 815 . 1 1 71 71 LEU N N 15 116.028 0.30 . 1 . . . A 71 LEU N . 25513 1 816 . 1 1 72 72 GLY H H 1 7.439 0.02 . 1 . . . A 72 GLY H . 25513 1 817 . 1 1 72 72 GLY HA2 H 1 3.956 0.02 . 2 . . . A 72 GLY HA2 . 25513 1 818 . 1 1 72 72 GLY HA3 H 1 3.428 0.02 . 2 . . . A 72 GLY HA3 . 25513 1 819 . 1 1 72 72 GLY CA C 13 45.588 0.30 . 1 . . . A 72 GLY CA . 25513 1 820 . 1 1 72 72 GLY N N 15 107.197 0.30 . 1 . . . A 72 GLY N . 25513 1 821 . 1 1 73 73 GLY H H 1 7.697 0.02 . 1 . . . A 73 GLY H . 25513 1 822 . 1 1 73 73 GLY HA2 H 1 1.660 0.02 . 2 . . . A 73 GLY HA2 . 25513 1 823 . 1 1 73 73 GLY HA3 H 1 3.725 0.02 . 2 . . . A 73 GLY HA3 . 25513 1 824 . 1 1 73 73 GLY CA C 13 42.885 0.30 . 1 . . . A 73 GLY CA . 25513 1 825 . 1 1 73 73 GLY N N 15 109.596 0.30 . 1 . . . A 73 GLY N . 25513 1 826 . 1 1 74 74 PHE H H 1 8.871 0.02 . 1 . . . A 74 PHE H . 25513 1 827 . 1 1 74 74 PHE HA H 1 4.648 0.02 . 1 . . . A 74 PHE HA . 25513 1 828 . 1 1 74 74 PHE HB2 H 1 3.334 0.02 . 2 . . . A 74 PHE HB2 . 25513 1 829 . 1 1 74 74 PHE HB3 H 1 3.144 0.02 . 2 . . . A 74 PHE HB3 . 25513 1 830 . 1 1 74 74 PHE HD1 H 1 7.501 0.02 . 1 . . . A 74 PHE HD1 . 25513 1 831 . 1 1 74 74 PHE HD2 H 1 7.501 0.02 . 1 . . . A 74 PHE HD2 . 25513 1 832 . 1 1 74 74 PHE HE1 H 1 7.329 0.02 . 1 . . . A 74 PHE HE1 . 25513 1 833 . 1 1 74 74 PHE HE2 H 1 7.329 0.02 . 1 . . . A 74 PHE HE2 . 25513 1 834 . 1 1 74 74 PHE HZ H 1 7.494 0.02 . 1 . . . A 74 PHE HZ . 25513 1 835 . 1 1 74 74 PHE CA C 13 57.377 0.30 . 1 . . . A 74 PHE CA . 25513 1 836 . 1 1 74 74 PHE CB C 13 37.616 0.30 . 1 . . . A 74 PHE CB . 25513 1 837 . 1 1 74 74 PHE CD1 C 13 132.321 0.30 . 1 . . . A 74 PHE CD1 . 25513 1 838 . 1 1 74 74 PHE CD2 C 13 132.321 0.30 . 1 . . . A 74 PHE CD2 . 25513 1 839 . 1 1 74 74 PHE CE1 C 13 131.645 0.30 . 1 . . . A 74 PHE CE1 . 25513 1 840 . 1 1 74 74 PHE CE2 C 13 131.645 0.30 . 1 . . . A 74 PHE CE2 . 25513 1 841 . 1 1 74 74 PHE CZ C 13 132.068 0.30 . 1 . . . A 74 PHE CZ . 25513 1 842 . 1 1 74 74 PHE N N 15 122.318 0.30 . 1 . . . A 74 PHE N . 25513 1 843 . 1 1 75 75 THR H H 1 7.546 0.02 . 1 . . . A 75 THR H . 25513 1 844 . 1 1 75 75 THR HA H 1 4.597 0.02 . 1 . . . A 75 THR HA . 25513 1 845 . 1 1 75 75 THR HB H 1 4.712 0.02 . 1 . . . A 75 THR HB . 25513 1 846 . 1 1 75 75 THR HG21 H 1 1.076 0.02 . 1 . . . A 75 THR HG2 . 25513 1 847 . 1 1 75 75 THR HG22 H 1 1.076 0.02 . 1 . . . A 75 THR HG2 . 25513 1 848 . 1 1 75 75 THR HG23 H 1 1.076 0.02 . 1 . . . A 75 THR HG2 . 25513 1 849 . 1 1 75 75 THR CA C 13 60.316 0.30 . 1 . . . A 75 THR CA . 25513 1 850 . 1 1 75 75 THR CB C 13 72.205 0.30 . 1 . . . A 75 THR CB . 25513 1 851 . 1 1 75 75 THR CG2 C 13 21.997 0.30 . 1 . . . A 75 THR CG2 . 25513 1 852 . 1 1 75 75 THR N N 15 113.890 0.30 . 1 . . . A 75 THR N . 25513 1 853 . 1 1 76 76 GLU H H 1 9.264 0.02 . 1 . . . A 76 GLU H . 25513 1 854 . 1 1 76 76 GLU HA H 1 4.140 0.02 . 1 . . . A 76 GLU HA . 25513 1 855 . 1 1 76 76 GLU HB2 H 1 2.216 0.02 . 2 . . . A 76 GLU HB2 . 25513 1 856 . 1 1 76 76 GLU HB3 H 1 2.229 0.02 . 2 . . . A 76 GLU HB3 . 25513 1 857 . 1 1 76 76 GLU HG2 H 1 2.471 0.02 . 2 . . . A 76 GLU HG2 . 25513 1 858 . 1 1 76 76 GLU HG3 H 1 2.480 0.02 . 2 . . . A 76 GLU HG3 . 25513 1 859 . 1 1 76 76 GLU CA C 13 60.797 0.30 . 1 . . . A 76 GLU CA . 25513 1 860 . 1 1 76 76 GLU CB C 13 29.588 0.30 . 1 . . . A 76 GLU CB . 25513 1 861 . 1 1 76 76 GLU CG C 13 37.012 0.30 . 1 . . . A 76 GLU CG . 25513 1 862 . 1 1 76 76 GLU N N 15 120.732 0.30 . 1 . . . A 76 GLU N . 25513 1 863 . 1 1 77 77 ASP H H 1 8.129 0.02 . 1 . . . A 77 ASP H . 25513 1 864 . 1 1 77 77 ASP HA H 1 4.614 0.02 . 1 . . . A 77 ASP HA . 25513 1 865 . 1 1 77 77 ASP HB2 H 1 2.786 0.02 . 2 . . . A 77 ASP HB2 . 25513 1 866 . 1 1 77 77 ASP HB3 H 1 2.578 0.02 . 2 . . . A 77 ASP HB3 . 25513 1 867 . 1 1 77 77 ASP CA C 13 56.782 0.30 . 1 . . . A 77 ASP CA . 25513 1 868 . 1 1 77 77 ASP CB C 13 41.437 0.30 . 1 . . . A 77 ASP CB . 25513 1 869 . 1 1 77 77 ASP N N 15 117.502 0.30 . 1 . . . A 77 ASP N . 25513 1 870 . 1 1 78 78 ALA H H 1 7.862 0.02 . 1 . . . A 78 ALA H . 25513 1 871 . 1 1 78 78 ALA HA H 1 4.351 0.02 . 1 . . . A 78 ALA HA . 25513 1 872 . 1 1 78 78 ALA HB1 H 1 1.733 0.02 . 1 . . . A 78 ALA HB . 25513 1 873 . 1 1 78 78 ALA HB2 H 1 1.733 0.02 . 1 . . . A 78 ALA HB . 25513 1 874 . 1 1 78 78 ALA HB3 H 1 1.733 0.02 . 1 . . . A 78 ALA HB . 25513 1 875 . 1 1 78 78 ALA CA C 13 52.778 0.30 . 1 . . . A 78 ALA CA . 25513 1 876 . 1 1 78 78 ALA CB C 13 20.535 0.30 . 1 . . . A 78 ALA CB . 25513 1 877 . 1 1 78 78 ALA N N 15 120.064 0.30 . 1 . . . A 78 ALA N . 25513 1 878 . 1 1 79 79 MET H H 1 7.544 0.02 . 1 . . . A 79 MET H . 25513 1 879 . 1 1 79 79 MET HA H 1 4.139 0.02 . 1 . . . A 79 MET HA . 25513 1 880 . 1 1 79 79 MET HB2 H 1 2.237 0.02 . 2 . . . A 79 MET HB2 . 25513 1 881 . 1 1 79 79 MET HB3 H 1 2.434 0.02 . 2 . . . A 79 MET HB3 . 25513 1 882 . 1 1 79 79 MET HE1 H 1 2.202 0.02 . 1 . . . A 79 MET HE . 25513 1 883 . 1 1 79 79 MET HE2 H 1 2.202 0.02 . 1 . . . A 79 MET HE . 25513 1 884 . 1 1 79 79 MET HE3 H 1 2.202 0.02 . 1 . . . A 79 MET HE . 25513 1 885 . 1 1 79 79 MET HG2 H 1 2.684 0.02 . 2 . . . A 79 MET HG2 . 25513 1 886 . 1 1 79 79 MET HG3 H 1 2.869 0.02 . 2 . . . A 79 MET HG3 . 25513 1 887 . 1 1 79 79 MET CA C 13 60.670 0.30 . 1 . . . A 79 MET CA . 25513 1 888 . 1 1 79 79 MET CB C 13 33.274 0.30 . 1 . . . A 79 MET CB . 25513 1 889 . 1 1 79 79 MET CE C 13 17.900 0.30 . 1 . . . A 79 MET CE . 25513 1 890 . 1 1 79 79 MET CG C 13 32.994 0.30 . 1 . . . A 79 MET CG . 25513 1 891 . 1 1 79 79 MET N N 15 118.788 0.30 . 1 . . . A 79 MET N . 25513 1 892 . 1 1 80 80 VAL H H 1 9.028 0.02 . 1 . . . A 80 VAL H . 25513 1 893 . 1 1 80 80 VAL HA H 1 4.192 0.02 . 1 . . . A 80 VAL HA . 25513 1 894 . 1 1 80 80 VAL HB H 1 2.523 0.02 . 1 . . . A 80 VAL HB . 25513 1 895 . 1 1 80 80 VAL HG11 H 1 1.061 0.02 . 1 . . . A 80 VAL HG1 . 25513 1 896 . 1 1 80 80 VAL HG12 H 1 1.061 0.02 . 1 . . . A 80 VAL HG1 . 25513 1 897 . 1 1 80 80 VAL HG13 H 1 1.061 0.02 . 1 . . . A 80 VAL HG1 . 25513 1 898 . 1 1 80 80 VAL HG21 H 1 1.206 0.02 . 1 . . . A 80 VAL HG2 . 25513 1 899 . 1 1 80 80 VAL HG22 H 1 1.206 0.02 . 1 . . . A 80 VAL HG2 . 25513 1 900 . 1 1 80 80 VAL HG23 H 1 1.206 0.02 . 1 . . . A 80 VAL HG2 . 25513 1 901 . 1 1 80 80 VAL CA C 13 68.785 0.30 . 1 . . . A 80 VAL CA . 25513 1 902 . 1 1 80 80 VAL CB C 13 29.371 0.30 . 1 . . . A 80 VAL CB . 25513 1 903 . 1 1 80 80 VAL CG1 C 13 22.077 0.30 . 1 . . . A 80 VAL CG1 . 25513 1 904 . 1 1 80 80 VAL CG2 C 13 24.002 0.30 . 1 . . . A 80 VAL CG2 . 25513 1 905 . 1 1 80 80 VAL N N 15 115.608 0.30 . 1 . . . A 80 VAL N . 25513 1 906 . 1 1 81 81 PRO HA H 1 4.594 0.02 . 1 . . . A 81 PRO HA . 25513 1 907 . 1 1 81 81 PRO HB2 H 1 2.371 0.02 . 2 . . . A 81 PRO HB2 . 25513 1 908 . 1 1 81 81 PRO HB3 H 1 2.398 0.02 . 2 . . . A 81 PRO HB3 . 25513 1 909 . 1 1 81 81 PRO HD2 H 1 4.082 0.02 . 2 . . . A 81 PRO HD2 . 25513 1 910 . 1 1 81 81 PRO HD3 H 1 3.807 0.02 . 2 . . . A 81 PRO HD3 . 25513 1 911 . 1 1 81 81 PRO HG2 H 1 1.935 0.02 . 2 . . . A 81 PRO HG2 . 25513 1 912 . 1 1 81 81 PRO HG3 H 1 1.968 0.02 . 2 . . . A 81 PRO HG3 . 25513 1 913 . 1 1 81 81 PRO CA C 13 67.268 0.30 . 1 . . . A 81 PRO CA . 25513 1 914 . 1 1 81 81 PRO CB C 13 31.998 0.30 . 1 . . . A 81 PRO CB . 25513 1 915 . 1 1 81 81 PRO CD C 13 49.606 0.30 . 1 . . . A 81 PRO CD . 25513 1 916 . 1 1 81 81 PRO CG C 13 27.475 0.30 . 1 . . . A 81 PRO CG . 25513 1 917 . 1 1 82 82 LEU H H 1 8.660 0.02 . 1 . . . A 82 LEU H . 25513 1 918 . 1 1 82 82 LEU HA H 1 5.207 0.02 . 1 . . . A 82 LEU HA . 25513 1 919 . 1 1 82 82 LEU HB2 H 1 1.719 0.02 . 2 . . . A 82 LEU HB2 . 25513 1 920 . 1 1 82 82 LEU HB3 H 1 2.370 0.02 . 2 . . . A 82 LEU HB3 . 25513 1 921 . 1 1 82 82 LEU HD11 H 1 1.109 0.02 . 1 . . . A 82 LEU HD1 . 25513 1 922 . 1 1 82 82 LEU HD12 H 1 1.109 0.02 . 1 . . . A 82 LEU HD1 . 25513 1 923 . 1 1 82 82 LEU HD13 H 1 1.109 0.02 . 1 . . . A 82 LEU HD1 . 25513 1 924 . 1 1 82 82 LEU HD21 H 1 1.030 0.02 . 1 . . . A 82 LEU HD2 . 25513 1 925 . 1 1 82 82 LEU HD22 H 1 1.030 0.02 . 1 . . . A 82 LEU HD2 . 25513 1 926 . 1 1 82 82 LEU HD23 H 1 1.030 0.02 . 1 . . . A 82 LEU HD2 . 25513 1 927 . 1 1 82 82 LEU HG H 1 1.840 0.02 . 1 . . . A 82 LEU HG . 25513 1 928 . 1 1 82 82 LEU CA C 13 56.794 0.30 . 1 . . . A 82 LEU CA . 25513 1 929 . 1 1 82 82 LEU CB C 13 41.478 0.30 . 1 . . . A 82 LEU CB . 25513 1 930 . 1 1 82 82 LEU CD1 C 13 26.077 0.30 . 1 . . . A 82 LEU CD1 . 25513 1 931 . 1 1 82 82 LEU CD2 C 13 22.605 0.30 . 1 . . . A 82 LEU CD2 . 25513 1 932 . 1 1 82 82 LEU CG C 13 28.064 0.30 . 1 . . . A 82 LEU CG . 25513 1 933 . 1 1 82 82 LEU N N 15 114.751 0.30 . 1 . . . A 82 LEU N . 25513 1 934 . 1 1 83 83 GLY H H 1 8.485 0.02 . 1 . . . A 83 GLY H . 25513 1 935 . 1 1 83 83 GLY HA2 H 1 4.424 0.02 . 2 . . . A 83 GLY HA2 . 25513 1 936 . 1 1 83 83 GLY HA3 H 1 3.991 0.02 . 2 . . . A 83 GLY HA3 . 25513 1 937 . 1 1 83 83 GLY CA C 13 48.196 0.30 . 1 . . . A 83 GLY CA . 25513 1 938 . 1 1 83 83 GLY N N 15 117.586 0.30 . 1 . . . A 83 GLY N . 25513 1 939 . 1 1 84 84 LEU H H 1 8.683 0.02 . 1 . . . A 84 LEU H . 25513 1 940 . 1 1 84 84 LEU HA H 1 4.174 0.02 . 1 . . . A 84 LEU HA . 25513 1 941 . 1 1 84 84 LEU HB2 H 1 1.702 0.02 . 2 . . . A 84 LEU HB2 . 25513 1 942 . 1 1 84 84 LEU HB3 H 1 1.971 0.02 . 2 . . . A 84 LEU HB3 . 25513 1 943 . 1 1 84 84 LEU HD11 H 1 0.906 0.02 . 1 . . . A 84 LEU HD1 . 25513 1 944 . 1 1 84 84 LEU HD12 H 1 0.906 0.02 . 1 . . . A 84 LEU HD1 . 25513 1 945 . 1 1 84 84 LEU HD13 H 1 0.906 0.02 . 1 . . . A 84 LEU HD1 . 25513 1 946 . 1 1 84 84 LEU HD21 H 1 0.881 0.02 . 1 . . . A 84 LEU HD2 . 25513 1 947 . 1 1 84 84 LEU HD22 H 1 0.881 0.02 . 1 . . . A 84 LEU HD2 . 25513 1 948 . 1 1 84 84 LEU HD23 H 1 0.881 0.02 . 1 . . . A 84 LEU HD2 . 25513 1 949 . 1 1 84 84 LEU HG H 1 1.912 0.02 . 1 . . . A 84 LEU HG . 25513 1 950 . 1 1 84 84 LEU CA C 13 58.984 0.30 . 1 . . . A 84 LEU CA . 25513 1 951 . 1 1 84 84 LEU CB C 13 42.056 0.30 . 1 . . . A 84 LEU CB . 25513 1 952 . 1 1 84 84 LEU CD1 C 13 24.139 0.30 . 1 . . . A 84 LEU CD1 . 25513 1 953 . 1 1 84 84 LEU CD2 C 13 27.359 0.30 . 1 . . . A 84 LEU CD2 . 25513 1 954 . 1 1 84 84 LEU CG C 13 27.621 0.30 . 1 . . . A 84 LEU CG . 25513 1 955 . 1 1 84 84 LEU N N 15 122.371 0.30 . 1 . . . A 84 LEU N . 25513 1 956 . 1 1 85 85 TYR H H 1 6.860 0.02 . 1 . . . A 85 TYR H . 25513 1 957 . 1 1 85 85 TYR HA H 1 4.284 0.02 . 1 . . . A 85 TYR HA . 25513 1 958 . 1 1 85 85 TYR HB2 H 1 4.324 0.02 . 2 . . . A 85 TYR HB2 . 25513 1 959 . 1 1 85 85 TYR HB3 H 1 3.615 0.02 . 2 . . . A 85 TYR HB3 . 25513 1 960 . 1 1 85 85 TYR HD1 H 1 7.139 0.02 . 1 . . . A 85 TYR HD1 . 25513 1 961 . 1 1 85 85 TYR HD2 H 1 7.139 0.02 . 1 . . . A 85 TYR HD2 . 25513 1 962 . 1 1 85 85 TYR HE1 H 1 6.863 0.02 . 1 . . . A 85 TYR HE1 . 25513 1 963 . 1 1 85 85 TYR HE2 H 1 6.863 0.02 . 1 . . . A 85 TYR HE2 . 25513 1 964 . 1 1 85 85 TYR CA C 13 61.605 0.30 . 1 . . . A 85 TYR CA . 25513 1 965 . 1 1 85 85 TYR CB C 13 39.390 0.30 . 1 . . . A 85 TYR CB . 25513 1 966 . 1 1 85 85 TYR CD1 C 13 133.127 0.30 . 1 . . . A 85 TYR CD1 . 25513 1 967 . 1 1 85 85 TYR CD2 C 13 133.127 0.30 . 1 . . . A 85 TYR CD2 . 25513 1 968 . 1 1 85 85 TYR CE1 C 13 118.346 0.30 . 1 . . . A 85 TYR CE1 . 25513 1 969 . 1 1 85 85 TYR CE2 C 13 118.346 0.30 . 1 . . . A 85 TYR CE2 . 25513 1 970 . 1 1 85 85 TYR N N 15 116.244 0.30 . 1 . . . A 85 TYR N . 25513 1 971 . 1 1 86 86 THR H H 1 8.368 0.02 . 1 . . . A 86 THR H . 25513 1 972 . 1 1 86 86 THR HA H 1 4.416 0.02 . 1 . . . A 86 THR HA . 25513 1 973 . 1 1 86 86 THR HB H 1 4.390 0.02 . 1 . . . A 86 THR HB . 25513 1 974 . 1 1 86 86 THR HG21 H 1 1.161 0.02 . 1 . . . A 86 THR HG2 . 25513 1 975 . 1 1 86 86 THR HG22 H 1 1.161 0.02 . 1 . . . A 86 THR HG2 . 25513 1 976 . 1 1 86 86 THR HG23 H 1 1.161 0.02 . 1 . . . A 86 THR HG2 . 25513 1 977 . 1 1 86 86 THR CA C 13 67.682 0.30 . 1 . . . A 86 THR CA . 25513 1 978 . 1 1 86 86 THR CB C 13 67.668 0.30 . 1 . . . A 86 THR CB . 25513 1 979 . 1 1 86 86 THR CG2 C 13 22.073 0.30 . 1 . . . A 86 THR CG2 . 25513 1 980 . 1 1 86 86 THR N N 15 118.007 0.30 . 1 . . . A 86 THR N . 25513 1 981 . 1 1 87 87 GLY H H 1 8.554 0.02 . 1 . . . A 87 GLY H . 25513 1 982 . 1 1 87 87 GLY HA2 H 1 3.559 0.02 . 2 . . . A 87 GLY HA2 . 25513 1 983 . 1 1 87 87 GLY HA3 H 1 3.724 0.02 . 2 . . . A 87 GLY HA3 . 25513 1 984 . 1 1 87 87 GLY CA C 13 47.960 0.30 . 1 . . . A 87 GLY CA . 25513 1 985 . 1 1 87 87 GLY N N 15 108.423 0.30 . 1 . . . A 87 GLY N . 25513 1 986 . 1 1 88 88 GLN H H 1 8.381 0.02 . 1 . . . A 88 GLN H . 25513 1 987 . 1 1 88 88 GLN HA H 1 4.230 0.02 . 1 . . . A 88 GLN HA . 25513 1 988 . 1 1 88 88 GLN HB2 H 1 2.257 0.02 . 2 . . . A 88 GLN HB2 . 25513 1 989 . 1 1 88 88 GLN HB3 H 1 2.075 0.02 . 2 . . . A 88 GLN HB3 . 25513 1 990 . 1 1 88 88 GLN HE21 H 1 6.850 0.02 . 1 . . . A 88 GLN HE21 . 25513 1 991 . 1 1 88 88 GLN HE22 H 1 7.542 0.02 . 1 . . . A 88 GLN HE22 . 25513 1 992 . 1 1 88 88 GLN HG2 H 1 2.381 0.02 . 2 . . . A 88 GLN HG2 . 25513 1 993 . 1 1 88 88 GLN HG3 H 1 2.394 0.02 . 2 . . . A 88 GLN HG3 . 25513 1 994 . 1 1 88 88 GLN CA C 13 58.703 0.30 . 1 . . . A 88 GLN CA . 25513 1 995 . 1 1 88 88 GLN CB C 13 29.053 0.30 . 1 . . . A 88 GLN CB . 25513 1 996 . 1 1 88 88 GLN CG C 13 34.334 0.30 . 1 . . . A 88 GLN CG . 25513 1 997 . 1 1 88 88 GLN N N 15 118.160 0.30 . 1 . . . A 88 GLN N . 25513 1 998 . 1 1 88 88 GLN NE2 N 15 112.211 0.30 . 1 . . . A 88 GLN NE2 . 25513 1 999 . 1 1 89 89 LEU H H 1 7.575 0.02 . 1 . . . A 89 LEU H . 25513 1 1000 . 1 1 89 89 LEU HA H 1 3.533 0.02 . 1 . . . A 89 LEU HA . 25513 1 1001 . 1 1 89 89 LEU HB2 H 1 0.819 0.02 . 2 . . . A 89 LEU HB2 . 25513 1 1002 . 1 1 89 89 LEU HB3 H 1 1.230 0.02 . 2 . . . A 89 LEU HB3 . 25513 1 1003 . 1 1 89 89 LEU HD11 H 1 0.792 0.02 . 1 . . . A 89 LEU HD1 . 25513 1 1004 . 1 1 89 89 LEU HD12 H 1 0.792 0.02 . 1 . . . A 89 LEU HD1 . 25513 1 1005 . 1 1 89 89 LEU HD13 H 1 0.792 0.02 . 1 . . . A 89 LEU HD1 . 25513 1 1006 . 1 1 89 89 LEU HD21 H 1 0.540 0.02 . 1 . . . A 89 LEU HD2 . 25513 1 1007 . 1 1 89 89 LEU HD22 H 1 0.540 0.02 . 1 . . . A 89 LEU HD2 . 25513 1 1008 . 1 1 89 89 LEU HD23 H 1 0.540 0.02 . 1 . . . A 89 LEU HD2 . 25513 1 1009 . 1 1 89 89 LEU HG H 1 0.166 0.02 . 1 . . . A 89 LEU HG . 25513 1 1010 . 1 1 89 89 LEU CA C 13 57.779 0.30 . 1 . . . A 89 LEU CA . 25513 1 1011 . 1 1 89 89 LEU CB C 13 41.936 0.30 . 1 . . . A 89 LEU CB . 25513 1 1012 . 1 1 89 89 LEU CD1 C 13 24.011 0.30 . 1 . . . A 89 LEU CD1 . 25513 1 1013 . 1 1 89 89 LEU CD2 C 13 25.508 0.30 . 1 . . . A 89 LEU CD2 . 25513 1 1014 . 1 1 89 89 LEU CG C 13 25.988 0.30 . 1 . . . A 89 LEU CG . 25513 1 1015 . 1 1 89 89 LEU N N 15 123.842 0.30 . 1 . . . A 89 LEU N . 25513 1 1016 . 1 1 90 90 ALA H H 1 7.866 0.02 . 1 . . . A 90 ALA H . 25513 1 1017 . 1 1 90 90 ALA HA H 1 3.801 0.02 . 1 . . . A 90 ALA HA . 25513 1 1018 . 1 1 90 90 ALA HB1 H 1 1.403 0.02 . 1 . . . A 90 ALA HB . 25513 1 1019 . 1 1 90 90 ALA HB2 H 1 1.403 0.02 . 1 . . . A 90 ALA HB . 25513 1 1020 . 1 1 90 90 ALA HB3 H 1 1.403 0.02 . 1 . . . A 90 ALA HB . 25513 1 1021 . 1 1 90 90 ALA CA C 13 55.698 0.30 . 1 . . . A 90 ALA CA . 25513 1 1022 . 1 1 90 90 ALA CB C 13 17.922 0.30 . 1 . . . A 90 ALA CB . 25513 1 1023 . 1 1 90 90 ALA N N 15 119.648 0.30 . 1 . . . A 90 ALA N . 25513 1 1024 . 1 1 91 91 LEU H H 1 7.476 0.02 . 1 . . . A 91 LEU H . 25513 1 1025 . 1 1 91 91 LEU HA H 1 4.243 0.02 . 1 . . . A 91 LEU HA . 25513 1 1026 . 1 1 91 91 LEU HB2 H 1 1.927 0.02 . 2 . . . A 91 LEU HB2 . 25513 1 1027 . 1 1 91 91 LEU HB3 H 1 2.220 0.02 . 2 . . . A 91 LEU HB3 . 25513 1 1028 . 1 1 91 91 LEU HD11 H 1 0.808 0.02 . 1 . . . A 91 LEU HD1 . 25513 1 1029 . 1 1 91 91 LEU HD12 H 1 0.808 0.02 . 1 . . . A 91 LEU HD1 . 25513 1 1030 . 1 1 91 91 LEU HD13 H 1 0.808 0.02 . 1 . . . A 91 LEU HD1 . 25513 1 1031 . 1 1 91 91 LEU HD21 H 1 0.948 0.02 . 1 . . . A 91 LEU HD2 . 25513 1 1032 . 1 1 91 91 LEU HD22 H 1 0.948 0.02 . 1 . . . A 91 LEU HD2 . 25513 1 1033 . 1 1 91 91 LEU HD23 H 1 0.948 0.02 . 1 . . . A 91 LEU HD2 . 25513 1 1034 . 1 1 91 91 LEU HG H 1 1.716 0.02 . 1 . . . A 91 LEU HG . 25513 1 1035 . 1 1 91 91 LEU CA C 13 57.915 0.30 . 1 . . . A 91 LEU CA . 25513 1 1036 . 1 1 91 91 LEU CB C 13 42.159 0.30 . 1 . . . A 91 LEU CB . 25513 1 1037 . 1 1 91 91 LEU CD1 C 13 26.435 0.30 . 1 . . . A 91 LEU CD1 . 25513 1 1038 . 1 1 91 91 LEU CD2 C 13 22.042 0.30 . 1 . . . A 91 LEU CD2 . 25513 1 1039 . 1 1 91 91 LEU CG C 13 27.347 0.30 . 1 . . . A 91 LEU CG . 25513 1 1040 . 1 1 91 91 LEU N N 15 114.374 0.30 . 1 . . . A 91 LEU N . 25513 1 1041 . 1 1 92 92 ASN H H 1 8.767 0.02 . 1 . . . A 92 ASN H . 25513 1 1042 . 1 1 92 92 ASN HA H 1 4.518 0.02 . 1 . . . A 92 ASN HA . 25513 1 1043 . 1 1 92 92 ASN HB2 H 1 2.873 0.02 . 2 . . . A 92 ASN HB2 . 25513 1 1044 . 1 1 92 92 ASN HB3 H 1 2.893 0.02 . 2 . . . A 92 ASN HB3 . 25513 1 1045 . 1 1 92 92 ASN HD21 H 1 7.617 0.02 . 1 . . . A 92 ASN HD21 . 25513 1 1046 . 1 1 92 92 ASN HD22 H 1 6.911 0.02 . 1 . . . A 92 ASN HD22 . 25513 1 1047 . 1 1 92 92 ASN CA C 13 59.018 0.30 . 1 . . . A 92 ASN CA . 25513 1 1048 . 1 1 92 92 ASN CB C 13 39.497 0.30 . 1 . . . A 92 ASN CB . 25513 1 1049 . 1 1 92 92 ASN N N 15 124.831 0.30 . 1 . . . A 92 ASN N . 25513 1 1050 . 1 1 92 92 ASN ND2 N 15 112.710 0.30 . 1 . . . A 92 ASN ND2 . 25513 1 1051 . 1 1 93 93 TRP H H 1 8.967 0.02 . 1 . . . A 93 TRP H . 25513 1 1052 . 1 1 93 93 TRP HA H 1 4.831 0.02 . 1 . . . A 93 TRP HA . 25513 1 1053 . 1 1 93 93 TRP HB2 H 1 3.125 0.02 . 2 . . . A 93 TRP HB2 . 25513 1 1054 . 1 1 93 93 TRP HB3 H 1 3.683 0.02 . 2 . . . A 93 TRP HB3 . 25513 1 1055 . 1 1 93 93 TRP HD1 H 1 7.368 0.02 . 1 . . . A 93 TRP HD1 . 25513 1 1056 . 1 1 93 93 TRP HE1 H 1 9.671 0.02 . 1 . . . A 93 TRP HE1 . 25513 1 1057 . 1 1 93 93 TRP HZ2 H 1 7.997 0.02 . 1 . . . A 93 TRP HZ2 . 25513 1 1058 . 1 1 93 93 TRP CA C 13 57.386 0.30 . 1 . . . A 93 TRP CA . 25513 1 1059 . 1 1 93 93 TRP CB C 13 29.435 0.30 . 1 . . . A 93 TRP CB . 25513 1 1060 . 1 1 93 93 TRP CD1 C 13 127.621 0.30 . 1 . . . A 93 TRP CD1 . 25513 1 1061 . 1 1 93 93 TRP CZ2 C 13 114.675 0.30 . 1 . . . A 93 TRP CZ2 . 25513 1 1062 . 1 1 93 93 TRP N N 15 119.610 0.30 . 1 . . . A 93 TRP N . 25513 1 1063 . 1 1 93 93 TRP NE1 N 15 124.983 0.30 . 1 . . . A 93 TRP NE1 . 25513 1 1064 . 1 1 94 94 ALA H H 1 7.889 0.02 . 1 . . . A 94 ALA H . 25513 1 1065 . 1 1 94 94 ALA HA H 1 4.148 0.02 . 1 . . . A 94 ALA HA . 25513 1 1066 . 1 1 94 94 ALA HB1 H 1 1.606 0.02 . 1 . . . A 94 ALA HB . 25513 1 1067 . 1 1 94 94 ALA HB2 H 1 1.606 0.02 . 1 . . . A 94 ALA HB . 25513 1 1068 . 1 1 94 94 ALA HB3 H 1 1.606 0.02 . 1 . . . A 94 ALA HB . 25513 1 1069 . 1 1 94 94 ALA CA C 13 53.613 0.30 . 1 . . . A 94 ALA CA . 25513 1 1070 . 1 1 94 94 ALA CB C 13 18.701 0.30 . 1 . . . A 94 ALA CB . 25513 1 1071 . 1 1 94 94 ALA N N 15 116.823 0.30 . 1 . . . A 94 ALA N . 25513 1 1072 . 1 1 95 95 TRP H H 1 8.141 0.02 . 1 . . . A 95 TRP H . 25513 1 1073 . 1 1 95 95 TRP HA H 1 4.117 0.02 . 1 . . . A 95 TRP HA . 25513 1 1074 . 1 1 95 95 TRP HB2 H 1 3.248 0.02 . 2 . . . A 95 TRP HB2 . 25513 1 1075 . 1 1 95 95 TRP HB3 H 1 3.434 0.02 . 2 . . . A 95 TRP HB3 . 25513 1 1076 . 1 1 95 95 TRP HD1 H 1 7.511 0.02 . 1 . . . A 95 TRP HD1 . 25513 1 1077 . 1 1 95 95 TRP HE1 H 1 9.367 0.02 . 1 . . . A 95 TRP HE1 . 25513 1 1078 . 1 1 95 95 TRP HZ2 H 1 6.363 0.02 . 1 . . . A 95 TRP HZ2 . 25513 1 1079 . 1 1 95 95 TRP CA C 13 65.688 0.30 . 1 . . . A 95 TRP CA . 25513 1 1080 . 1 1 95 95 TRP CB C 13 28.741 0.30 . 1 . . . A 95 TRP CB . 25513 1 1081 . 1 1 95 95 TRP CD1 C 13 127.135 0.30 . 1 . . . A 95 TRP CD1 . 25513 1 1082 . 1 1 95 95 TRP CZ2 C 13 114.043 0.30 . 1 . . . A 95 TRP CZ2 . 25513 1 1083 . 1 1 95 95 TRP N N 15 118.836 0.30 . 1 . . . A 95 TRP N . 25513 1 1084 . 1 1 95 95 TRP NE1 N 15 129.174 0.30 . 1 . . . A 95 TRP NE1 . 25513 1 1085 . 1 1 97 97 PRO HA H 1 4.599 0.02 . 1 . . . A 97 PRO HA . 25513 1 1086 . 1 1 97 97 PRO HB2 H 1 2.383 0.02 . 2 . . . A 97 PRO HB2 . 25513 1 1087 . 1 1 97 97 PRO HB3 H 1 2.034 0.02 . 2 . . . A 97 PRO HB3 . 25513 1 1088 . 1 1 97 97 PRO HD2 H 1 4.084 0.02 . 2 . . . A 97 PRO HD2 . 25513 1 1089 . 1 1 97 97 PRO HD3 H 1 3.755 0.02 . 2 . . . A 97 PRO HD3 . 25513 1 1090 . 1 1 97 97 PRO HG2 H 1 2.094 0.02 . 2 . . . A 97 PRO HG2 . 25513 1 1091 . 1 1 97 97 PRO HG3 H 1 1.773 0.02 . 2 . . . A 97 PRO HG3 . 25513 1 1092 . 1 1 97 97 PRO CA C 13 67.433 0.30 . 1 . . . A 97 PRO CA . 25513 1 1093 . 1 1 97 97 PRO CB C 13 32.171 0.30 . 1 . . . A 97 PRO CB . 25513 1 1094 . 1 1 97 97 PRO CD C 13 50.567 0.30 . 1 . . . A 97 PRO CD . 25513 1 1095 . 1 1 97 97 PRO CG C 13 27.987 0.30 . 1 . . . A 97 PRO CG . 25513 1 1096 . 1 1 98 98 ILE H H 1 7.453 0.02 . 1 . . . A 98 ILE H . 25513 1 1097 . 1 1 98 98 ILE HA H 1 3.407 0.02 . 1 . . . A 98 ILE HA . 25513 1 1098 . 1 1 98 98 ILE HB H 1 1.650 0.02 . 1 . . . A 98 ILE HB . 25513 1 1099 . 1 1 98 98 ILE HD11 H 1 0.796 0.02 . 1 . . . A 98 ILE HD1 . 25513 1 1100 . 1 1 98 98 ILE HD12 H 1 0.796 0.02 . 1 . . . A 98 ILE HD1 . 25513 1 1101 . 1 1 98 98 ILE HD13 H 1 0.796 0.02 . 1 . . . A 98 ILE HD1 . 25513 1 1102 . 1 1 98 98 ILE HG12 H 1 0.652 0.02 . 2 . . . A 98 ILE HG12 . 25513 1 1103 . 1 1 98 98 ILE HG13 H 1 2.214 0.02 . 2 . . . A 98 ILE HG13 . 25513 1 1104 . 1 1 98 98 ILE HG21 H 1 0.910 0.02 . 1 . . . A 98 ILE HG2 . 25513 1 1105 . 1 1 98 98 ILE HG22 H 1 0.910 0.02 . 1 . . . A 98 ILE HG2 . 25513 1 1106 . 1 1 98 98 ILE HG23 H 1 0.910 0.02 . 1 . . . A 98 ILE HG2 . 25513 1 1107 . 1 1 98 98 ILE CA C 13 66.659 0.30 . 1 . . . A 98 ILE CA . 25513 1 1108 . 1 1 98 98 ILE CB C 13 39.708 0.30 . 1 . . . A 98 ILE CB . 25513 1 1109 . 1 1 98 98 ILE CD1 C 13 14.559 0.30 . 1 . . . A 98 ILE CD1 . 25513 1 1110 . 1 1 98 98 ILE CG1 C 13 29.621 0.30 . 1 . . . A 98 ILE CG1 . 25513 1 1111 . 1 1 98 98 ILE CG2 C 13 19.402 0.30 . 1 . . . A 98 ILE CG2 . 25513 1 1112 . 1 1 98 98 ILE N N 15 118.121 0.30 . 1 . . . A 98 ILE N . 25513 1 1113 . 1 1 99 99 PHE H H 1 8.341 0.02 . 1 . . . A 99 PHE H . 25513 1 1114 . 1 1 99 99 PHE HA H 1 4.546 0.02 . 1 . . . A 99 PHE HA . 25513 1 1115 . 1 1 99 99 PHE HB2 H 1 3.135 0.02 . 2 . . . A 99 PHE HB2 . 25513 1 1116 . 1 1 99 99 PHE HB3 H 1 3.264 0.02 . 2 . . . A 99 PHE HB3 . 25513 1 1117 . 1 1 99 99 PHE HD1 H 1 7.311 0.02 . 1 . . . A 99 PHE HD1 . 25513 1 1118 . 1 1 99 99 PHE HD2 H 1 7.311 0.02 . 1 . . . A 99 PHE HD2 . 25513 1 1119 . 1 1 99 99 PHE HE1 H 1 7.294 0.02 . 1 . . . A 99 PHE HE1 . 25513 1 1120 . 1 1 99 99 PHE HE2 H 1 7.294 0.02 . 1 . . . A 99 PHE HE2 . 25513 1 1121 . 1 1 99 99 PHE HZ H 1 7.222 0.02 . 1 . . . A 99 PHE HZ . 25513 1 1122 . 1 1 99 99 PHE CA C 13 62.239 0.30 . 1 . . . A 99 PHE CA . 25513 1 1123 . 1 1 99 99 PHE CB C 13 39.654 0.30 . 1 . . . A 99 PHE CB . 25513 1 1124 . 1 1 99 99 PHE CD1 C 13 132.312 0.30 . 1 . . . A 99 PHE CD1 . 25513 1 1125 . 1 1 99 99 PHE CD2 C 13 132.312 0.30 . 1 . . . A 99 PHE CD2 . 25513 1 1126 . 1 1 99 99 PHE CE1 C 13 131.377 0.30 . 1 . . . A 99 PHE CE1 . 25513 1 1127 . 1 1 99 99 PHE CE2 C 13 131.377 0.30 . 1 . . . A 99 PHE CE2 . 25513 1 1128 . 1 1 99 99 PHE CZ C 13 129.661 0.30 . 1 . . . A 99 PHE CZ . 25513 1 1129 . 1 1 99 99 PHE N N 15 118.727 0.30 . 1 . . . A 99 PHE N . 25513 1 1130 . 1 1 100 100 PHE H H 1 8.540 0.02 . 1 . . . A 100 PHE H . 25513 1 1131 . 1 1 100 100 PHE HA H 1 4.300 0.02 . 1 . . . A 100 PHE HA . 25513 1 1132 . 1 1 100 100 PHE HB2 H 1 2.897 0.02 . 2 . . . A 100 PHE HB2 . 25513 1 1133 . 1 1 100 100 PHE HB3 H 1 3.242 0.02 . 2 . . . A 100 PHE HB3 . 25513 1 1134 . 1 1 100 100 PHE HD1 H 1 7.305 0.02 . 1 . . . A 100 PHE HD1 . 25513 1 1135 . 1 1 100 100 PHE HD2 H 1 7.305 0.02 . 1 . . . A 100 PHE HD2 . 25513 1 1136 . 1 1 100 100 PHE HE1 H 1 7.234 0.02 . 1 . . . A 100 PHE HE1 . 25513 1 1137 . 1 1 100 100 PHE HE2 H 1 7.234 0.02 . 1 . . . A 100 PHE HE2 . 25513 1 1138 . 1 1 100 100 PHE HZ H 1 7.297 0.02 . 1 . . . A 100 PHE HZ . 25513 1 1139 . 1 1 100 100 PHE CA C 13 61.292 0.30 . 1 . . . A 100 PHE CA . 25513 1 1140 . 1 1 100 100 PHE CB C 13 39.785 0.30 . 1 . . . A 100 PHE CB . 25513 1 1141 . 1 1 100 100 PHE CD1 C 13 131.498 0.30 . 1 . . . A 100 PHE CD1 . 25513 1 1142 . 1 1 100 100 PHE CD2 C 13 131.498 0.30 . 1 . . . A 100 PHE CD2 . 25513 1 1143 . 1 1 100 100 PHE CE1 C 13 131.217 0.30 . 1 . . . A 100 PHE CE1 . 25513 1 1144 . 1 1 100 100 PHE CE2 C 13 131.217 0.30 . 1 . . . A 100 PHE CE2 . 25513 1 1145 . 1 1 100 100 PHE CZ C 13 129.758 0.30 . 1 . . . A 100 PHE CZ . 25513 1 1146 . 1 1 100 100 PHE N N 15 111.133 0.30 . 1 . . . A 100 PHE N . 25513 1 1147 . 1 1 101 101 GLY H H 1 7.454 0.02 . 1 . . . A 101 GLY H . 25513 1 1148 . 1 1 101 101 GLY HA2 H 1 3.872 0.02 . 2 . . . A 101 GLY HA2 . 25513 1 1149 . 1 1 101 101 GLY HA3 H 1 4.202 0.02 . 2 . . . A 101 GLY HA3 . 25513 1 1150 . 1 1 101 101 GLY CA C 13 47.562 0.30 . 1 . . . A 101 GLY CA . 25513 1 1151 . 1 1 101 101 GLY N N 15 107.438 0.30 . 1 . . . A 101 GLY N . 25513 1 1152 . 1 1 102 102 ALA H H 1 7.896 0.02 . 1 . . . A 102 ALA H . 25513 1 1153 . 1 1 102 102 ALA HA H 1 4.294 0.02 . 1 . . . A 102 ALA HA . 25513 1 1154 . 1 1 102 102 ALA HB1 H 1 1.508 0.02 . 1 . . . A 102 ALA HB . 25513 1 1155 . 1 1 102 102 ALA HB2 H 1 1.508 0.02 . 1 . . . A 102 ALA HB . 25513 1 1156 . 1 1 102 102 ALA HB3 H 1 1.508 0.02 . 1 . . . A 102 ALA HB . 25513 1 1157 . 1 1 102 102 ALA CA C 13 52.055 0.30 . 1 . . . A 102 ALA CA . 25513 1 1158 . 1 1 102 102 ALA CB C 13 18.616 0.30 . 1 . . . A 102 ALA CB . 25513 1 1159 . 1 1 102 102 ALA N N 15 120.998 0.30 . 1 . . . A 102 ALA N . 25513 1 1160 . 1 1 103 103 ARG H H 1 6.478 0.02 . 1 . . . A 103 ARG H . 25513 1 1161 . 1 1 103 103 ARG HA H 1 3.956 0.02 . 1 . . . A 103 ARG HA . 25513 1 1162 . 1 1 103 103 ARG HB2 H 1 1.438 0.02 . 2 . . . A 103 ARG HB2 . 25513 1 1163 . 1 1 103 103 ARG HB3 H 1 1.640 0.02 . 2 . . . A 103 ARG HB3 . 25513 1 1164 . 1 1 103 103 ARG HD2 H 1 3.457 0.02 . 1 . . . A 103 ARG HD2 . 25513 1 1165 . 1 1 103 103 ARG HD3 H 1 3.457 0.02 . 1 . . . A 103 ARG HD3 . 25513 1 1166 . 1 1 103 103 ARG HG2 H 1 1.884 0.02 . 2 . . . A 103 ARG HG2 . 25513 1 1167 . 1 1 103 103 ARG HG3 H 1 1.721 0.02 . 2 . . . A 103 ARG HG3 . 25513 1 1168 . 1 1 103 103 ARG CA C 13 55.504 0.30 . 1 . . . A 103 ARG CA . 25513 1 1169 . 1 1 103 103 ARG CB C 13 30.889 0.30 . 1 . . . A 103 ARG CB . 25513 1 1170 . 1 1 103 103 ARG CD C 13 43.726 0.30 . 1 . . . A 103 ARG CD . 25513 1 1171 . 1 1 103 103 ARG CG C 13 27.300 0.30 . 1 . . . A 103 ARG CG . 25513 1 1172 . 1 1 103 103 ARG N N 15 112.717 0.30 . 1 . . . A 103 ARG N . 25513 1 1173 . 1 1 104 104 GLN H H 1 7.287 0.02 . 1 . . . A 104 GLN H . 25513 1 1174 . 1 1 104 104 GLN HA H 1 4.621 0.02 . 1 . . . A 104 GLN HA . 25513 1 1175 . 1 1 104 104 GLN HB2 H 1 2.255 0.02 . 2 . . . A 104 GLN HB2 . 25513 1 1176 . 1 1 104 104 GLN HB3 H 1 2.013 0.02 . 2 . . . A 104 GLN HB3 . 25513 1 1177 . 1 1 104 104 GLN HE21 H 1 7.552 0.02 . 1 . . . A 104 GLN HE21 . 25513 1 1178 . 1 1 104 104 GLN HE22 H 1 6.896 0.02 . 1 . . . A 104 GLN HE22 . 25513 1 1179 . 1 1 104 104 GLN HG2 H 1 2.140 0.02 . 2 . . . A 104 GLN HG2 . 25513 1 1180 . 1 1 104 104 GLN HG3 H 1 1.987 0.02 . 2 . . . A 104 GLN HG3 . 25513 1 1181 . 1 1 104 104 GLN CA C 13 53.333 0.30 . 1 . . . A 104 GLN CA . 25513 1 1182 . 1 1 104 104 GLN CB C 13 29.203 0.30 . 1 . . . A 104 GLN CB . 25513 1 1183 . 1 1 104 104 GLN CG C 13 34.057 0.30 . 1 . . . A 104 GLN CG . 25513 1 1184 . 1 1 104 104 GLN N N 15 118.435 0.30 . 1 . . . A 104 GLN N . 25513 1 1185 . 1 1 104 104 GLN NE2 N 15 112.284 0.30 . 1 . . . A 104 GLN NE2 . 25513 1 1186 . 1 1 105 105 MET H H 1 8.497 0.02 . 1 . . . A 105 MET H . 25513 1 1187 . 1 1 105 105 MET HA H 1 3.874 0.02 . 1 . . . A 105 MET HA . 25513 1 1188 . 1 1 105 105 MET HB2 H 1 2.599 0.02 . 2 . . . A 105 MET HB2 . 25513 1 1189 . 1 1 105 105 MET HB3 H 1 1.999 0.02 . 2 . . . A 105 MET HB3 . 25513 1 1190 . 1 1 105 105 MET HE1 H 1 2.321 0.02 . 1 . . . A 105 MET HE . 25513 1 1191 . 1 1 105 105 MET HE2 H 1 2.321 0.02 . 1 . . . A 105 MET HE . 25513 1 1192 . 1 1 105 105 MET HE3 H 1 2.321 0.02 . 1 . . . A 105 MET HE . 25513 1 1193 . 1 1 105 105 MET HG2 H 1 2.518 0.02 . 2 . . . A 105 MET HG2 . 25513 1 1194 . 1 1 105 105 MET HG3 H 1 2.567 0.02 . 2 . . . A 105 MET HG3 . 25513 1 1195 . 1 1 105 105 MET CA C 13 60.621 0.30 . 1 . . . A 105 MET CA . 25513 1 1196 . 1 1 105 105 MET CB C 13 36.133 0.30 . 1 . . . A 105 MET CB . 25513 1 1197 . 1 1 105 105 MET CE C 13 18.478 0.30 . 1 . . . A 105 MET CE . 25513 1 1198 . 1 1 105 105 MET CG C 13 32.501 0.30 . 1 . . . A 105 MET CG . 25513 1 1199 . 1 1 105 105 MET N N 15 120.899 0.30 . 1 . . . A 105 MET N . 25513 1 1200 . 1 1 106 106 GLY H H 1 8.620 0.02 . 1 . . . A 106 GLY H . 25513 1 1201 . 1 1 106 106 GLY HA2 H 1 3.409 0.02 . 2 . . . A 106 GLY HA2 . 25513 1 1202 . 1 1 106 106 GLY HA3 H 1 2.844 0.02 . 2 . . . A 106 GLY HA3 . 25513 1 1203 . 1 1 106 106 GLY CA C 13 46.352 0.30 . 1 . . . A 106 GLY CA . 25513 1 1204 . 1 1 106 106 GLY N N 15 109.296 0.30 . 1 . . . A 106 GLY N . 25513 1 1205 . 1 1 107 107 TRP H H 1 8.007 0.02 . 1 . . . A 107 TRP H . 25513 1 1206 . 1 1 107 107 TRP HA H 1 4.540 0.02 . 1 . . . A 107 TRP HA . 25513 1 1207 . 1 1 107 107 TRP HB2 H 1 3.285 0.02 . 2 . . . A 107 TRP HB2 . 25513 1 1208 . 1 1 107 107 TRP HB3 H 1 2.989 0.02 . 2 . . . A 107 TRP HB3 . 25513 1 1209 . 1 1 107 107 TRP HD1 H 1 7.249 0.02 . 1 . . . A 107 TRP HD1 . 25513 1 1210 . 1 1 107 107 TRP HE1 H 1 10.642 0.02 . 1 . . . A 107 TRP HE1 . 25513 1 1211 . 1 1 107 107 TRP HZ2 H 1 7.520 0.02 . 1 . . . A 107 TRP HZ2 . 25513 1 1212 . 1 1 107 107 TRP CA C 13 59.787 0.30 . 1 . . . A 107 TRP CA . 25513 1 1213 . 1 1 107 107 TRP CB C 13 30.034 0.30 . 1 . . . A 107 TRP CB . 25513 1 1214 . 1 1 107 107 TRP CD1 C 13 126.437 0.30 . 1 . . . A 107 TRP CD1 . 25513 1 1215 . 1 1 107 107 TRP CZ2 C 13 114.418 0.30 . 1 . . . A 107 TRP CZ2 . 25513 1 1216 . 1 1 107 107 TRP N N 15 122.428 0.30 . 1 . . . A 107 TRP N . 25513 1 1217 . 1 1 107 107 TRP NE1 N 15 130.081 0.30 . 1 . . . A 107 TRP NE1 . 25513 1 1218 . 1 1 108 108 ALA H H 1 8.082 0.02 . 1 . . . A 108 ALA H . 25513 1 1219 . 1 1 108 108 ALA HA H 1 3.954 0.02 . 1 . . . A 108 ALA HA . 25513 1 1220 . 1 1 108 108 ALA HB1 H 1 1.404 0.02 . 1 . . . A 108 ALA HB . 25513 1 1221 . 1 1 108 108 ALA HB2 H 1 1.404 0.02 . 1 . . . A 108 ALA HB . 25513 1 1222 . 1 1 108 108 ALA HB3 H 1 1.404 0.02 . 1 . . . A 108 ALA HB . 25513 1 1223 . 1 1 108 108 ALA CA C 13 55.717 0.30 . 1 . . . A 108 ALA CA . 25513 1 1224 . 1 1 108 108 ALA CB C 13 19.153 0.30 . 1 . . . A 108 ALA CB . 25513 1 1225 . 1 1 108 108 ALA N N 15 120.693 0.30 . 1 . . . A 108 ALA N . 25513 1 1226 . 1 1 109 109 LEU H H 1 7.451 0.02 . 1 . . . A 109 LEU H . 25513 1 1227 . 1 1 109 109 LEU HA H 1 4.359 0.02 . 1 . . . A 109 LEU HA . 25513 1 1228 . 1 1 109 109 LEU HB2 H 1 1.478 0.02 . 2 . . . A 109 LEU HB2 . 25513 1 1229 . 1 1 109 109 LEU HB3 H 1 2.186 0.02 . 2 . . . A 109 LEU HB3 . 25513 1 1230 . 1 1 109 109 LEU HD11 H 1 0.901 0.02 . 1 . . . A 109 LEU HD1 . 25513 1 1231 . 1 1 109 109 LEU HD12 H 1 0.901 0.02 . 1 . . . A 109 LEU HD1 . 25513 1 1232 . 1 1 109 109 LEU HD13 H 1 0.901 0.02 . 1 . . . A 109 LEU HD1 . 25513 1 1233 . 1 1 109 109 LEU HD21 H 1 0.893 0.02 . 1 . . . A 109 LEU HD2 . 25513 1 1234 . 1 1 109 109 LEU HD22 H 1 0.893 0.02 . 1 . . . A 109 LEU HD2 . 25513 1 1235 . 1 1 109 109 LEU HD23 H 1 0.893 0.02 . 1 . . . A 109 LEU HD2 . 25513 1 1236 . 1 1 109 109 LEU HG H 1 1.212 0.02 . 1 . . . A 109 LEU HG . 25513 1 1237 . 1 1 109 109 LEU CA C 13 58.600 0.30 . 1 . . . A 109 LEU CA . 25513 1 1238 . 1 1 109 109 LEU CB C 13 41.986 0.30 . 1 . . . A 109 LEU CB . 25513 1 1239 . 1 1 109 109 LEU CD1 C 13 26.136 0.30 . 1 . . . A 109 LEU CD1 . 25513 1 1240 . 1 1 109 109 LEU CD2 C 13 28.059 0.30 . 1 . . . A 109 LEU CD2 . 25513 1 1241 . 1 1 109 109 LEU CG C 13 24.996 0.30 . 1 . . . A 109 LEU CG . 25513 1 1242 . 1 1 109 109 LEU N N 15 123.047 0.30 . 1 . . . A 109 LEU N . 25513 1 1243 . 1 1 110 110 ALA H H 1 7.844 0.02 . 1 . . . A 110 ALA H . 25513 1 1244 . 1 1 110 110 ALA HA H 1 4.035 0.02 . 1 . . . A 110 ALA HA . 25513 1 1245 . 1 1 110 110 ALA HB1 H 1 1.623 0.02 . 1 . . . A 110 ALA HB . 25513 1 1246 . 1 1 110 110 ALA HB2 H 1 1.623 0.02 . 1 . . . A 110 ALA HB . 25513 1 1247 . 1 1 110 110 ALA HB3 H 1 1.623 0.02 . 1 . . . A 110 ALA HB . 25513 1 1248 . 1 1 110 110 ALA CA C 13 56.073 0.30 . 1 . . . A 110 ALA CA . 25513 1 1249 . 1 1 110 110 ALA CB C 13 18.672 0.30 . 1 . . . A 110 ALA CB . 25513 1 1250 . 1 1 110 110 ALA N N 15 120.158 0.30 . 1 . . . A 110 ALA N . 25513 1 1251 . 1 1 111 111 ASP H H 1 8.429 0.02 . 1 . . . A 111 ASP H . 25513 1 1252 . 1 1 111 111 ASP HA H 1 4.549 0.02 . 1 . . . A 111 ASP HA . 25513 1 1253 . 1 1 111 111 ASP HB2 H 1 3.476 0.02 . 2 . . . A 111 ASP HB2 . 25513 1 1254 . 1 1 111 111 ASP HB3 H 1 2.762 0.02 . 2 . . . A 111 ASP HB3 . 25513 1 1255 . 1 1 111 111 ASP CA C 13 58.354 0.30 . 1 . . . A 111 ASP CA . 25513 1 1256 . 1 1 111 111 ASP CB C 13 38.429 0.30 . 1 . . . A 111 ASP CB . 25513 1 1257 . 1 1 111 111 ASP N N 15 114.796 0.30 . 1 . . . A 111 ASP N . 25513 1 1258 . 1 1 112 112 LEU H H 1 9.006 0.02 . 1 . . . A 112 LEU H . 25513 1 1259 . 1 1 112 112 LEU HA H 1 4.314 0.02 . 1 . . . A 112 LEU HA . 25513 1 1260 . 1 1 112 112 LEU HB2 H 1 2.204 0.02 . 2 . . . A 112 LEU HB2 . 25513 1 1261 . 1 1 112 112 LEU HB3 H 1 2.228 0.02 . 2 . . . A 112 LEU HB3 . 25513 1 1262 . 1 1 112 112 LEU HD11 H 1 0.902 0.02 . 1 . . . A 112 LEU HD1 . 25513 1 1263 . 1 1 112 112 LEU HD12 H 1 0.902 0.02 . 1 . . . A 112 LEU HD1 . 25513 1 1264 . 1 1 112 112 LEU HD13 H 1 0.902 0.02 . 1 . . . A 112 LEU HD1 . 25513 1 1265 . 1 1 112 112 LEU HD21 H 1 0.910 0.02 . 1 . . . A 112 LEU HD2 . 25513 1 1266 . 1 1 112 112 LEU HD22 H 1 0.910 0.02 . 1 . . . A 112 LEU HD2 . 25513 1 1267 . 1 1 112 112 LEU HD23 H 1 0.910 0.02 . 1 . . . A 112 LEU HD2 . 25513 1 1268 . 1 1 112 112 LEU HG H 1 2.087 0.02 . 1 . . . A 112 LEU HG . 25513 1 1269 . 1 1 112 112 LEU CA C 13 58.597 0.30 . 1 . . . A 112 LEU CA . 25513 1 1270 . 1 1 112 112 LEU CB C 13 41.995 0.30 . 1 . . . A 112 LEU CB . 25513 1 1271 . 1 1 112 112 LEU CD1 C 13 24.140 0.30 . 1 . . . A 112 LEU CD1 . 25513 1 1272 . 1 1 112 112 LEU CD2 C 13 25.666 0.30 . 1 . . . A 112 LEU CD2 . 25513 1 1273 . 1 1 112 112 LEU CG C 13 27.798 0.30 . 1 . . . A 112 LEU CG . 25513 1 1274 . 1 1 112 112 LEU N N 15 121.697 0.30 . 1 . . . A 112 LEU N . 25513 1 1275 . 1 1 113 113 LEU H H 1 8.577 0.02 . 1 . . . A 113 LEU H . 25513 1 1276 . 1 1 113 113 LEU HA H 1 4.076 0.02 . 1 . . . A 113 LEU HA . 25513 1 1277 . 1 1 113 113 LEU HB2 H 1 1.869 0.02 . 2 . . . A 113 LEU HB2 . 25513 1 1278 . 1 1 113 113 LEU HB3 H 1 1.694 0.02 . 2 . . . A 113 LEU HB3 . 25513 1 1279 . 1 1 113 113 LEU HD11 H 1 0.902 0.02 . 1 . . . A 113 LEU HD1 . 25513 1 1280 . 1 1 113 113 LEU HD12 H 1 0.902 0.02 . 1 . . . A 113 LEU HD1 . 25513 1 1281 . 1 1 113 113 LEU HD13 H 1 0.902 0.02 . 1 . . . A 113 LEU HD1 . 25513 1 1282 . 1 1 113 113 LEU HD21 H 1 0.900 0.02 . 1 . . . A 113 LEU HD2 . 25513 1 1283 . 1 1 113 113 LEU HD22 H 1 0.900 0.02 . 1 . . . A 113 LEU HD2 . 25513 1 1284 . 1 1 113 113 LEU HD23 H 1 0.900 0.02 . 1 . . . A 113 LEU HD2 . 25513 1 1285 . 1 1 113 113 LEU HG H 1 1.528 0.02 . 1 . . . A 113 LEU HG . 25513 1 1286 . 1 1 113 113 LEU CA C 13 58.897 0.30 . 1 . . . A 113 LEU CA . 25513 1 1287 . 1 1 113 113 LEU CB C 13 42.272 0.30 . 1 . . . A 113 LEU CB . 25513 1 1288 . 1 1 113 113 LEU CD1 C 13 24.375 0.30 . 1 . . . A 113 LEU CD1 . 25513 1 1289 . 1 1 113 113 LEU CD2 C 13 26.098 0.30 . 1 . . . A 113 LEU CD2 . 25513 1 1290 . 1 1 113 113 LEU CG C 13 27.240 0.30 . 1 . . . A 113 LEU CG . 25513 1 1291 . 1 1 113 113 LEU N N 15 122.220 0.30 . 1 . . . A 113 LEU N . 25513 1 1292 . 1 1 114 114 LEU H H 1 7.997 0.02 . 1 . . . A 114 LEU H . 25513 1 1293 . 1 1 114 114 LEU HA H 1 4.177 0.02 . 1 . . . A 114 LEU HA . 25513 1 1294 . 1 1 114 114 LEU HB2 H 1 2.202 0.02 . 2 . . . A 114 LEU HB2 . 25513 1 1295 . 1 1 114 114 LEU HB3 H 1 1.989 0.02 . 2 . . . A 114 LEU HB3 . 25513 1 1296 . 1 1 114 114 LEU HD11 H 1 0.902 0.02 . 1 . . . A 114 LEU HD1 . 25513 1 1297 . 1 1 114 114 LEU HD12 H 1 0.902 0.02 . 1 . . . A 114 LEU HD1 . 25513 1 1298 . 1 1 114 114 LEU HD13 H 1 0.902 0.02 . 1 . . . A 114 LEU HD1 . 25513 1 1299 . 1 1 114 114 LEU HD21 H 1 0.977 0.02 . 1 . . . A 114 LEU HD2 . 25513 1 1300 . 1 1 114 114 LEU HD22 H 1 0.977 0.02 . 1 . . . A 114 LEU HD2 . 25513 1 1301 . 1 1 114 114 LEU HD23 H 1 0.977 0.02 . 1 . . . A 114 LEU HD2 . 25513 1 1302 . 1 1 114 114 LEU HG H 1 1.918 0.02 . 1 . . . A 114 LEU HG . 25513 1 1303 . 1 1 114 114 LEU CA C 13 58.775 0.30 . 1 . . . A 114 LEU CA . 25513 1 1304 . 1 1 114 114 LEU CB C 13 42.069 0.30 . 1 . . . A 114 LEU CB . 25513 1 1305 . 1 1 114 114 LEU CD1 C 13 24.204 0.30 . 1 . . . A 114 LEU CD1 . 25513 1 1306 . 1 1 114 114 LEU CD2 C 13 25.197 0.30 . 1 . . . A 114 LEU CD2 . 25513 1 1307 . 1 1 114 114 LEU CG C 13 27.682 0.30 . 1 . . . A 114 LEU CG . 25513 1 1308 . 1 1 114 114 LEU N N 15 119.891 0.30 . 1 . . . A 114 LEU N . 25513 1 1309 . 1 1 115 115 VAL H H 1 9.474 0.02 . 1 . . . A 115 VAL H . 25513 1 1310 . 1 1 115 115 VAL HA H 1 3.495 0.02 . 1 . . . A 115 VAL HA . 25513 1 1311 . 1 1 115 115 VAL HB H 1 2.531 0.02 . 1 . . . A 115 VAL HB . 25513 1 1312 . 1 1 115 115 VAL HG11 H 1 1.308 0.02 . 1 . . . A 115 VAL HG1 . 25513 1 1313 . 1 1 115 115 VAL HG12 H 1 1.308 0.02 . 1 . . . A 115 VAL HG1 . 25513 1 1314 . 1 1 115 115 VAL HG13 H 1 1.308 0.02 . 1 . . . A 115 VAL HG1 . 25513 1 1315 . 1 1 115 115 VAL HG21 H 1 1.319 0.02 . 1 . . . A 115 VAL HG2 . 25513 1 1316 . 1 1 115 115 VAL HG22 H 1 1.319 0.02 . 1 . . . A 115 VAL HG2 . 25513 1 1317 . 1 1 115 115 VAL HG23 H 1 1.319 0.02 . 1 . . . A 115 VAL HG2 . 25513 1 1318 . 1 1 115 115 VAL CA C 13 68.052 0.30 . 1 . . . A 115 VAL CA . 25513 1 1319 . 1 1 115 115 VAL CB C 13 32.167 0.30 . 1 . . . A 115 VAL CB . 25513 1 1320 . 1 1 115 115 VAL CG1 C 13 24.421 0.30 . 1 . . . A 115 VAL CG1 . 25513 1 1321 . 1 1 115 115 VAL CG2 C 13 24.680 0.30 . 1 . . . A 115 VAL CG2 . 25513 1 1322 . 1 1 115 115 VAL N N 15 120.903 0.30 . 1 . . . A 115 VAL N . 25513 1 1323 . 1 1 116 116 SER H H 1 8.621 0.02 . 1 . . . A 116 SER H . 25513 1 1324 . 1 1 116 116 SER HA H 1 4.108 0.02 . 1 . . . A 116 SER HA . 25513 1 1325 . 1 1 116 116 SER HB2 H 1 4.190 0.02 . 2 . . . A 116 SER HB2 . 25513 1 1326 . 1 1 116 116 SER HB3 H 1 3.561 0.02 . 2 . . . A 116 SER HB3 . 25513 1 1327 . 1 1 116 116 SER CA C 13 63.972 0.30 . 1 . . . A 116 SER CA . 25513 1 1328 . 1 1 116 116 SER CB C 13 63.031 0.30 . 1 . . . A 116 SER CB . 25513 1 1329 . 1 1 116 116 SER N N 15 116.318 0.30 . 1 . . . A 116 SER N . 25513 1 1330 . 1 1 117 117 GLY H H 1 8.828 0.02 . 1 . . . A 117 GLY H . 25513 1 1331 . 1 1 117 117 GLY HA2 H 1 3.711 0.02 . 2 . . . A 117 GLY HA2 . 25513 1 1332 . 1 1 117 117 GLY HA3 H 1 3.545 0.02 . 2 . . . A 117 GLY HA3 . 25513 1 1333 . 1 1 117 117 GLY CA C 13 47.954 0.30 . 1 . . . A 117 GLY CA . 25513 1 1334 . 1 1 117 117 GLY N N 15 111.647 0.30 . 1 . . . A 117 GLY N . 25513 1 1335 . 1 1 118 118 VAL H H 1 9.229 0.02 . 1 . . . A 118 VAL H . 25513 1 1336 . 1 1 118 118 VAL HA H 1 3.731 0.02 . 1 . . . A 118 VAL HA . 25513 1 1337 . 1 1 118 118 VAL HB H 1 2.050 0.02 . 1 . . . A 118 VAL HB . 25513 1 1338 . 1 1 118 118 VAL HG11 H 1 1.114 0.02 . 1 . . . A 118 VAL HG1 . 25513 1 1339 . 1 1 118 118 VAL HG12 H 1 1.114 0.02 . 1 . . . A 118 VAL HG1 . 25513 1 1340 . 1 1 118 118 VAL HG13 H 1 1.114 0.02 . 1 . . . A 118 VAL HG1 . 25513 1 1341 . 1 1 118 118 VAL HG21 H 1 1.071 0.02 . 1 . . . A 118 VAL HG2 . 25513 1 1342 . 1 1 118 118 VAL HG22 H 1 1.071 0.02 . 1 . . . A 118 VAL HG2 . 25513 1 1343 . 1 1 118 118 VAL HG23 H 1 1.071 0.02 . 1 . . . A 118 VAL HG2 . 25513 1 1344 . 1 1 118 118 VAL CA C 13 67.192 0.30 . 1 . . . A 118 VAL CA . 25513 1 1345 . 1 1 118 118 VAL CB C 13 31.614 0.30 . 1 . . . A 118 VAL CB . 25513 1 1346 . 1 1 118 118 VAL CG1 C 13 24.818 0.30 . 1 . . . A 118 VAL CG1 . 25513 1 1347 . 1 1 118 118 VAL CG2 C 13 23.678 0.30 . 1 . . . A 118 VAL CG2 . 25513 1 1348 . 1 1 118 118 VAL N N 15 122.432 0.30 . 1 . . . A 118 VAL N . 25513 1 1349 . 1 1 119 119 ALA H H 1 10.237 0.02 . 1 . . . A 119 ALA H . 25513 1 1350 . 1 1 119 119 ALA HA H 1 4.019 0.02 . 1 . . . A 119 ALA HA . 25513 1 1351 . 1 1 119 119 ALA HB1 H 1 1.468 0.02 . 1 . . . A 119 ALA HB . 25513 1 1352 . 1 1 119 119 ALA HB2 H 1 1.468 0.02 . 1 . . . A 119 ALA HB . 25513 1 1353 . 1 1 119 119 ALA HB3 H 1 1.468 0.02 . 1 . . . A 119 ALA HB . 25513 1 1354 . 1 1 119 119 ALA CA C 13 56.611 0.30 . 1 . . . A 119 ALA CA . 25513 1 1355 . 1 1 119 119 ALA CB C 13 18.580 0.30 . 1 . . . A 119 ALA CB . 25513 1 1356 . 1 1 119 119 ALA N N 15 127.951 0.30 . 1 . . . A 119 ALA N . 25513 1 1357 . 1 1 120 120 THR H H 1 8.199 0.02 . 1 . . . A 120 THR H . 25513 1 1358 . 1 1 120 120 THR HA H 1 3.852 0.02 . 1 . . . A 120 THR HA . 25513 1 1359 . 1 1 120 120 THR HB H 1 4.463 0.02 . 1 . . . A 120 THR HB . 25513 1 1360 . 1 1 120 120 THR HG21 H 1 1.155 0.02 . 1 . . . A 120 THR HG2 . 25513 1 1361 . 1 1 120 120 THR HG22 H 1 1.155 0.02 . 1 . . . A 120 THR HG2 . 25513 1 1362 . 1 1 120 120 THR HG23 H 1 1.155 0.02 . 1 . . . A 120 THR HG2 . 25513 1 1363 . 1 1 120 120 THR CA C 13 69.391 0.30 . 1 . . . A 120 THR CA . 25513 1 1364 . 1 1 120 120 THR CB C 13 67.584 0.30 . 1 . . . A 120 THR CB . 25513 1 1365 . 1 1 120 120 THR CG2 C 13 21.594 0.30 . 1 . . . A 120 THR CG2 . 25513 1 1366 . 1 1 120 120 THR N N 15 121.340 0.30 . 1 . . . A 120 THR N . 25513 1 1367 . 1 1 121 121 ALA H H 1 7.994 0.02 . 1 . . . A 121 ALA H . 25513 1 1368 . 1 1 121 121 ALA HA H 1 4.053 0.02 . 1 . . . A 121 ALA HA . 25513 1 1369 . 1 1 121 121 ALA HB1 H 1 1.630 0.02 . 1 . . . A 121 ALA HB . 25513 1 1370 . 1 1 121 121 ALA HB2 H 1 1.630 0.02 . 1 . . . A 121 ALA HB . 25513 1 1371 . 1 1 121 121 ALA HB3 H 1 1.630 0.02 . 1 . . . A 121 ALA HB . 25513 1 1372 . 1 1 121 121 ALA CA C 13 56.188 0.30 . 1 . . . A 121 ALA CA . 25513 1 1373 . 1 1 121 121 ALA CB C 13 18.166 0.30 . 1 . . . A 121 ALA CB . 25513 1 1374 . 1 1 121 121 ALA N N 15 123.798 0.30 . 1 . . . A 121 ALA N . 25513 1 1375 . 1 1 122 122 THR H H 1 8.629 0.02 . 1 . . . A 122 THR H . 25513 1 1376 . 1 1 122 122 THR HA H 1 4.290 0.02 . 1 . . . A 122 THR HA . 25513 1 1377 . 1 1 122 122 THR HB H 1 3.605 0.02 . 1 . . . A 122 THR HB . 25513 1 1378 . 1 1 122 122 THR HG21 H 1 0.475 0.02 . 1 . . . A 122 THR HG2 . 25513 1 1379 . 1 1 122 122 THR HG22 H 1 0.475 0.02 . 1 . . . A 122 THR HG2 . 25513 1 1380 . 1 1 122 122 THR HG23 H 1 0.475 0.02 . 1 . . . A 122 THR HG2 . 25513 1 1381 . 1 1 122 122 THR CA C 13 68.269 0.30 . 1 . . . A 122 THR CA . 25513 1 1382 . 1 1 122 122 THR CB C 13 68.401 0.30 . 1 . . . A 122 THR CB . 25513 1 1383 . 1 1 122 122 THR CG2 C 13 21.328 0.30 . 1 . . . A 122 THR CG2 . 25513 1 1384 . 1 1 122 122 THR N N 15 114.938 0.30 . 1 . . . A 122 THR N . 25513 1 1385 . 1 1 123 123 THR H H 1 7.800 0.02 . 1 . . . A 123 THR H . 25513 1 1386 . 1 1 123 123 THR HA H 1 4.585 0.02 . 1 . . . A 123 THR HA . 25513 1 1387 . 1 1 123 123 THR HB H 1 3.677 0.02 . 1 . . . A 123 THR HB . 25513 1 1388 . 1 1 123 123 THR HG21 H 1 1.566 0.02 . 1 . . . A 123 THR HG2 . 25513 1 1389 . 1 1 123 123 THR HG22 H 1 1.566 0.02 . 1 . . . A 123 THR HG2 . 25513 1 1390 . 1 1 123 123 THR HG23 H 1 1.566 0.02 . 1 . . . A 123 THR HG2 . 25513 1 1391 . 1 1 123 123 THR CA C 13 68.522 0.30 . 1 . . . A 123 THR CA . 25513 1 1392 . 1 1 123 123 THR CB C 13 68.897 0.30 . 1 . . . A 123 THR CB . 25513 1 1393 . 1 1 123 123 THR CG2 C 13 22.208 0.30 . 1 . . . A 123 THR CG2 . 25513 1 1394 . 1 1 123 123 THR N N 15 118.875 0.30 . 1 . . . A 123 THR N . 25513 1 1395 . 1 1 124 124 LEU H H 1 7.829 0.02 . 1 . . . A 124 LEU H . 25513 1 1396 . 1 1 124 124 LEU HA H 1 4.162 0.02 . 1 . . . A 124 LEU HA . 25513 1 1397 . 1 1 124 124 LEU HB2 H 1 2.227 0.02 . 2 . . . A 124 LEU HB2 . 25513 1 1398 . 1 1 124 124 LEU HB3 H 1 1.955 0.02 . 2 . . . A 124 LEU HB3 . 25513 1 1399 . 1 1 124 124 LEU HD11 H 1 0.943 0.02 . 1 . . . A 124 LEU HD1 . 25513 1 1400 . 1 1 124 124 LEU HD12 H 1 0.943 0.02 . 1 . . . A 124 LEU HD1 . 25513 1 1401 . 1 1 124 124 LEU HD13 H 1 0.943 0.02 . 1 . . . A 124 LEU HD1 . 25513 1 1402 . 1 1 124 124 LEU HD21 H 1 0.909 0.02 . 1 . . . A 124 LEU HD2 . 25513 1 1403 . 1 1 124 124 LEU HD22 H 1 0.909 0.02 . 1 . . . A 124 LEU HD2 . 25513 1 1404 . 1 1 124 124 LEU HD23 H 1 0.909 0.02 . 1 . . . A 124 LEU HD2 . 25513 1 1405 . 1 1 124 124 LEU HG H 1 1.950 0.02 . 1 . . . A 124 LEU HG . 25513 1 1406 . 1 1 124 124 LEU CA C 13 58.978 0.30 . 1 . . . A 124 LEU CA . 25513 1 1407 . 1 1 124 124 LEU CB C 13 42.144 0.30 . 1 . . . A 124 LEU CB . 25513 1 1408 . 1 1 124 124 LEU CD1 C 13 25.792 0.30 . 1 . . . A 124 LEU CD1 . 25513 1 1409 . 1 1 124 124 LEU CD2 C 13 24.121 0.30 . 1 . . . A 124 LEU CD2 . 25513 1 1410 . 1 1 124 124 LEU CG C 13 27.509 0.30 . 1 . . . A 124 LEU CG . 25513 1 1411 . 1 1 124 124 LEU N N 15 121.197 0.30 . 1 . . . A 124 LEU N . 25513 1 1412 . 1 1 125 125 ALA H H 1 8.448 0.02 . 1 . . . A 125 ALA H . 25513 1 1413 . 1 1 125 125 ALA HA H 1 4.310 0.02 . 1 . . . A 125 ALA HA . 25513 1 1414 . 1 1 125 125 ALA HB1 H 1 1.722 0.02 . 1 . . . A 125 ALA HB . 25513 1 1415 . 1 1 125 125 ALA HB2 H 1 1.722 0.02 . 1 . . . A 125 ALA HB . 25513 1 1416 . 1 1 125 125 ALA HB3 H 1 1.722 0.02 . 1 . . . A 125 ALA HB . 25513 1 1417 . 1 1 125 125 ALA CA C 13 55.545 0.30 . 1 . . . A 125 ALA CA . 25513 1 1418 . 1 1 125 125 ALA CB C 13 18.689 0.30 . 1 . . . A 125 ALA CB . 25513 1 1419 . 1 1 125 125 ALA N N 15 121.577 0.30 . 1 . . . A 125 ALA N . 25513 1 1420 . 1 1 126 126 TRP H H 1 9.893 0.02 . 1 . . . A 126 TRP H . 25513 1 1421 . 1 1 126 126 TRP HA H 1 4.523 0.02 . 1 . . . A 126 TRP HA . 25513 1 1422 . 1 1 126 126 TRP HB2 H 1 4.291 0.02 . 2 . . . A 126 TRP HB2 . 25513 1 1423 . 1 1 126 126 TRP HB3 H 1 3.662 0.02 . 2 . . . A 126 TRP HB3 . 25513 1 1424 . 1 1 126 126 TRP HD1 H 1 6.922 0.02 . 1 . . . A 126 TRP HD1 . 25513 1 1425 . 1 1 126 126 TRP HE1 H 1 9.108 0.02 . 1 . . . A 126 TRP HE1 . 25513 1 1426 . 1 1 126 126 TRP HZ2 H 1 6.551 0.02 . 1 . . . A 126 TRP HZ2 . 25513 1 1427 . 1 1 126 126 TRP CA C 13 60.282 0.30 . 1 . . . A 126 TRP CA . 25513 1 1428 . 1 1 126 126 TRP CB C 13 29.126 0.30 . 1 . . . A 126 TRP CB . 25513 1 1429 . 1 1 126 126 TRP CD1 C 13 125.847 0.30 . 1 . . . A 126 TRP CD1 . 25513 1 1430 . 1 1 126 126 TRP CZ2 C 13 113.198 0.30 . 1 . . . A 126 TRP CZ2 . 25513 1 1431 . 1 1 126 126 TRP N N 15 119.515 0.30 . 1 . . . A 126 TRP N . 25513 1 1432 . 1 1 126 126 TRP NE1 N 15 123.378 0.30 . 1 . . . A 126 TRP NE1 . 25513 1 1433 . 1 1 127 127 HIS H H 1 8.789 0.02 . 1 . . . A 127 HIS H . 25513 1 1434 . 1 1 127 127 HIS HA H 1 3.942 0.02 . 1 . . . A 127 HIS HA . 25513 1 1435 . 1 1 127 127 HIS HB2 H 1 3.373 0.02 . 2 . . . A 127 HIS HB2 . 25513 1 1436 . 1 1 127 127 HIS HB3 H 1 3.457 0.02 . 2 . . . A 127 HIS HB3 . 25513 1 1437 . 1 1 127 127 HIS HD2 H 1 7.171 0.02 . 1 . . . A 127 HIS HD2 . 25513 1 1438 . 1 1 127 127 HIS CA C 13 61.914 0.30 . 1 . . . A 127 HIS CA . 25513 1 1439 . 1 1 127 127 HIS CB C 13 30.767 0.30 . 1 . . . A 127 HIS CB . 25513 1 1440 . 1 1 127 127 HIS CD2 C 13 120.174 0.30 . 1 . . . A 127 HIS CD2 . 25513 1 1441 . 1 1 127 127 HIS N N 15 121.854 0.30 . 1 . . . A 127 HIS N . 25513 1 1442 . 1 1 128 128 ARG H H 1 7.232 0.02 . 1 . . . A 128 ARG H . 25513 1 1443 . 1 1 128 128 ARG HA H 1 4.278 0.02 . 1 . . . A 128 ARG HA . 25513 1 1444 . 1 1 128 128 ARG HB2 H 1 2.192 0.02 . 2 . . . A 128 ARG HB2 . 25513 1 1445 . 1 1 128 128 ARG HB3 H 1 2.084 0.02 . 2 . . . A 128 ARG HB3 . 25513 1 1446 . 1 1 128 128 ARG HD2 H 1 3.417 0.02 . 2 . . . A 128 ARG HD2 . 25513 1 1447 . 1 1 128 128 ARG HD3 H 1 3.409 0.02 . 2 . . . A 128 ARG HD3 . 25513 1 1448 . 1 1 128 128 ARG HG2 H 1 1.969 0.02 . 2 . . . A 128 ARG HG2 . 25513 1 1449 . 1 1 128 128 ARG HG3 H 1 2.090 0.02 . 2 . . . A 128 ARG HG3 . 25513 1 1450 . 1 1 128 128 ARG CA C 13 58.434 0.30 . 1 . . . A 128 ARG CA . 25513 1 1451 . 1 1 128 128 ARG CB C 13 30.712 0.30 . 1 . . . A 128 ARG CB . 25513 1 1452 . 1 1 128 128 ARG CD C 13 43.840 0.30 . 1 . . . A 128 ARG CD . 25513 1 1453 . 1 1 128 128 ARG CG C 13 27.889 0.30 . 1 . . . A 128 ARG CG . 25513 1 1454 . 1 1 128 128 ARG N N 15 113.497 0.30 . 1 . . . A 128 ARG N . 25513 1 1455 . 1 1 129 129 VAL H H 1 7.326 0.02 . 1 . . . A 129 VAL H . 25513 1 1456 . 1 1 129 129 VAL HA H 1 4.141 0.02 . 1 . . . A 129 VAL HA . 25513 1 1457 . 1 1 129 129 VAL HB H 1 2.044 0.02 . 1 . . . A 129 VAL HB . 25513 1 1458 . 1 1 129 129 VAL HG11 H 1 0.977 0.02 . 1 . . . A 129 VAL HG1 . 25513 1 1459 . 1 1 129 129 VAL HG12 H 1 0.977 0.02 . 1 . . . A 129 VAL HG1 . 25513 1 1460 . 1 1 129 129 VAL HG13 H 1 0.977 0.02 . 1 . . . A 129 VAL HG1 . 25513 1 1461 . 1 1 129 129 VAL HG21 H 1 1.117 0.02 . 1 . . . A 129 VAL HG2 . 25513 1 1462 . 1 1 129 129 VAL HG22 H 1 1.117 0.02 . 1 . . . A 129 VAL HG2 . 25513 1 1463 . 1 1 129 129 VAL HG23 H 1 1.117 0.02 . 1 . . . A 129 VAL HG2 . 25513 1 1464 . 1 1 129 129 VAL CA C 13 63.989 0.30 . 1 . . . A 129 VAL CA . 25513 1 1465 . 1 1 129 129 VAL CB C 13 34.236 0.30 . 1 . . . A 129 VAL CB . 25513 1 1466 . 1 1 129 129 VAL CG1 C 13 22.067 0.30 . 1 . . . A 129 VAL CG1 . 25513 1 1467 . 1 1 129 129 VAL CG2 C 13 21.504 0.30 . 1 . . . A 129 VAL CG2 . 25513 1 1468 . 1 1 129 129 VAL N N 15 116.229 0.30 . 1 . . . A 129 VAL N . 25513 1 1469 . 1 1 130 130 SER H H 1 8.920 0.02 . 1 . . . A 130 SER H . 25513 1 1470 . 1 1 130 130 SER HA H 1 4.168 0.02 . 1 . . . A 130 SER HA . 25513 1 1471 . 1 1 130 130 SER HB2 H 1 4.174 0.02 . 2 . . . A 130 SER HB2 . 25513 1 1472 . 1 1 130 130 SER HB3 H 1 3.569 0.02 . 2 . . . A 130 SER HB3 . 25513 1 1473 . 1 1 130 130 SER CA C 13 55.329 0.30 . 1 . . . A 130 SER CA . 25513 1 1474 . 1 1 130 130 SER CB C 13 62.992 0.30 . 1 . . . A 130 SER CB . 25513 1 1475 . 1 1 130 130 SER N N 15 111.826 0.30 . 1 . . . A 130 SER N . 25513 1 1476 . 1 1 131 131 PRO HA H 1 4.500 0.02 . 1 . . . A 131 PRO HA . 25513 1 1477 . 1 1 131 131 PRO HB2 H 1 1.888 0.02 . 2 . . . A 131 PRO HB2 . 25513 1 1478 . 1 1 131 131 PRO HB3 H 1 2.385 0.02 . 2 . . . A 131 PRO HB3 . 25513 1 1479 . 1 1 131 131 PRO HD2 H 1 3.171 0.02 . 2 . . . A 131 PRO HD2 . 25513 1 1480 . 1 1 131 131 PRO HD3 H 1 3.706 0.02 . 2 . . . A 131 PRO HD3 . 25513 1 1481 . 1 1 131 131 PRO HG2 H 1 1.796 0.02 . 2 . . . A 131 PRO HG2 . 25513 1 1482 . 1 1 131 131 PRO HG3 H 1 1.875 0.02 . 2 . . . A 131 PRO HG3 . 25513 1 1483 . 1 1 131 131 PRO CA C 13 63.765 0.30 . 1 . . . A 131 PRO CA . 25513 1 1484 . 1 1 131 131 PRO CB C 13 32.307 0.30 . 1 . . . A 131 PRO CB . 25513 1 1485 . 1 1 131 131 PRO CD C 13 51.033 0.30 . 1 . . . A 131 PRO CD . 25513 1 1486 . 1 1 131 131 PRO CG C 13 28.002 0.30 . 1 . . . A 131 PRO CG . 25513 1 1487 . 1 1 132 132 PRO HA H 1 4.713 0.02 . 1 . . . A 132 PRO HA . 25513 1 1488 . 1 1 132 132 PRO HB2 H 1 2.516 0.02 . 2 . . . A 132 PRO HB2 . 25513 1 1489 . 1 1 132 132 PRO HB3 H 1 2.565 0.02 . 2 . . . A 132 PRO HB3 . 25513 1 1490 . 1 1 132 132 PRO HD2 H 1 3.716 0.02 . 2 . . . A 132 PRO HD2 . 25513 1 1491 . 1 1 132 132 PRO HD3 H 1 3.198 0.02 . 2 . . . A 132 PRO HD3 . 25513 1 1492 . 1 1 132 132 PRO HG2 H 1 1.757 0.02 . 2 . . . A 132 PRO HG2 . 25513 1 1493 . 1 1 132 132 PRO HG3 H 1 1.982 0.02 . 2 . . . A 132 PRO HG3 . 25513 1 1494 . 1 1 132 132 PRO CA C 13 67.583 0.30 . 1 . . . A 132 PRO CA . 25513 1 1495 . 1 1 132 132 PRO CB C 13 32.442 0.30 . 1 . . . A 132 PRO CB . 25513 1 1496 . 1 1 132 132 PRO CD C 13 51.069 0.30 . 1 . . . A 132 PRO CD . 25513 1 1497 . 1 1 132 132 PRO CG C 13 27.857 0.30 . 1 . . . A 132 PRO CG . 25513 1 1498 . 1 1 133 133 ALA H H 1 7.511 0.02 . 1 . . . A 133 ALA H . 25513 1 1499 . 1 1 133 133 ALA HA H 1 4.163 0.02 . 1 . . . A 133 ALA HA . 25513 1 1500 . 1 1 133 133 ALA HB1 H 1 1.373 0.02 . 1 . . . A 133 ALA HB . 25513 1 1501 . 1 1 133 133 ALA HB2 H 1 1.373 0.02 . 1 . . . A 133 ALA HB . 25513 1 1502 . 1 1 133 133 ALA HB3 H 1 1.373 0.02 . 1 . . . A 133 ALA HB . 25513 1 1503 . 1 1 133 133 ALA CA C 13 55.433 0.30 . 1 . . . A 133 ALA CA . 25513 1 1504 . 1 1 133 133 ALA CB C 13 19.192 0.30 . 1 . . . A 133 ALA CB . 25513 1 1505 . 1 1 133 133 ALA N N 15 118.154 0.30 . 1 . . . A 133 ALA N . 25513 1 1506 . 1 1 134 134 ALA H H 1 7.791 0.02 . 1 . . . A 134 ALA H . 25513 1 1507 . 1 1 134 134 ALA HA H 1 4.340 0.02 . 1 . . . A 134 ALA HA . 25513 1 1508 . 1 1 134 134 ALA HB1 H 1 1.668 0.02 . 1 . . . A 134 ALA HB . 25513 1 1509 . 1 1 134 134 ALA HB2 H 1 1.668 0.02 . 1 . . . A 134 ALA HB . 25513 1 1510 . 1 1 134 134 ALA HB3 H 1 1.668 0.02 . 1 . . . A 134 ALA HB . 25513 1 1511 . 1 1 134 134 ALA CA C 13 55.863 0.30 . 1 . . . A 134 ALA CA . 25513 1 1512 . 1 1 134 134 ALA CB C 13 18.579 0.30 . 1 . . . A 134 ALA CB . 25513 1 1513 . 1 1 134 134 ALA N N 15 117.787 0.30 . 1 . . . A 134 ALA N . 25513 1 1514 . 1 1 135 135 ARG H H 1 7.748 0.02 . 1 . . . A 135 ARG H . 25513 1 1515 . 1 1 135 135 ARG HA H 1 2.512 0.02 . 1 . . . A 135 ARG HA . 25513 1 1516 . 1 1 135 135 ARG HB2 H 1 1.624 0.02 . 2 . . . A 135 ARG HB2 . 25513 1 1517 . 1 1 135 135 ARG HB3 H 1 1.830 0.02 . 2 . . . A 135 ARG HB3 . 25513 1 1518 . 1 1 135 135 ARG HD2 H 1 3.228 0.02 . 2 . . . A 135 ARG HD2 . 25513 1 1519 . 1 1 135 135 ARG HD3 H 1 3.207 0.02 . 2 . . . A 135 ARG HD3 . 25513 1 1520 . 1 1 135 135 ARG HG2 H 1 1.558 0.02 . 2 . . . A 135 ARG HG2 . 25513 1 1521 . 1 1 135 135 ARG HG3 H 1 1.877 0.02 . 2 . . . A 135 ARG HG3 . 25513 1 1522 . 1 1 135 135 ARG CA C 13 58.692 0.30 . 1 . . . A 135 ARG CA . 25513 1 1523 . 1 1 135 135 ARG CB C 13 30.464 0.30 . 1 . . . A 135 ARG CB . 25513 1 1524 . 1 1 135 135 ARG CD C 13 44.571 0.30 . 1 . . . A 135 ARG CD . 25513 1 1525 . 1 1 135 135 ARG CG C 13 28.682 0.30 . 1 . . . A 135 ARG CG . 25513 1 1526 . 1 1 135 135 ARG N N 15 113.938 0.30 . 1 . . . A 135 ARG N . 25513 1 1527 . 1 1 136 136 LEU H H 1 7.338 0.02 . 1 . . . A 136 LEU H . 25513 1 1528 . 1 1 136 136 LEU HA H 1 4.093 0.02 . 1 . . . A 136 LEU HA . 25513 1 1529 . 1 1 136 136 LEU HB2 H 1 2.483 0.02 . 2 . . . A 136 LEU HB2 . 25513 1 1530 . 1 1 136 136 LEU HB3 H 1 1.693 0.02 . 2 . . . A 136 LEU HB3 . 25513 1 1531 . 1 1 136 136 LEU HD11 H 1 1.267 0.02 . 1 . . . A 136 LEU HD1 . 25513 1 1532 . 1 1 136 136 LEU HD12 H 1 1.267 0.02 . 1 . . . A 136 LEU HD1 . 25513 1 1533 . 1 1 136 136 LEU HD13 H 1 1.267 0.02 . 1 . . . A 136 LEU HD1 . 25513 1 1534 . 1 1 136 136 LEU HD21 H 1 1.043 0.02 . 1 . . . A 136 LEU HD2 . 25513 1 1535 . 1 1 136 136 LEU HD22 H 1 1.043 0.02 . 1 . . . A 136 LEU HD2 . 25513 1 1536 . 1 1 136 136 LEU HD23 H 1 1.043 0.02 . 1 . . . A 136 LEU HD2 . 25513 1 1537 . 1 1 136 136 LEU HG H 1 2.150 0.02 . 1 . . . A 136 LEU HG . 25513 1 1538 . 1 1 136 136 LEU CA C 13 57.665 0.30 . 1 . . . A 136 LEU CA . 25513 1 1539 . 1 1 136 136 LEU CB C 13 41.281 0.30 . 1 . . . A 136 LEU CB . 25513 1 1540 . 1 1 136 136 LEU CD1 C 13 26.722 0.30 . 1 . . . A 136 LEU CD1 . 25513 1 1541 . 1 1 136 136 LEU CD2 C 13 23.713 0.30 . 1 . . . A 136 LEU CD2 . 25513 1 1542 . 1 1 136 136 LEU CG C 13 31.322 0.30 . 1 . . . A 136 LEU CG . 25513 1 1543 . 1 1 136 136 LEU N N 15 117.061 0.30 . 1 . . . A 136 LEU N . 25513 1 1544 . 1 1 137 137 LEU H H 1 7.802 0.02 . 1 . . . A 137 LEU H . 25513 1 1545 . 1 1 137 137 LEU HA H 1 4.737 0.02 . 1 . . . A 137 LEU HA . 25513 1 1546 . 1 1 137 137 LEU HB2 H 1 2.540 0.02 . 2 . . . A 137 LEU HB2 . 25513 1 1547 . 1 1 137 137 LEU HB3 H 1 1.685 0.02 . 2 . . . A 137 LEU HB3 . 25513 1 1548 . 1 1 137 137 LEU HD11 H 1 0.217 0.02 . 1 . . . A 137 LEU HD1 . 25513 1 1549 . 1 1 137 137 LEU HD12 H 1 0.217 0.02 . 1 . . . A 137 LEU HD1 . 25513 1 1550 . 1 1 137 137 LEU HD13 H 1 0.217 0.02 . 1 . . . A 137 LEU HD1 . 25513 1 1551 . 1 1 137 137 LEU HD21 H 1 0.882 0.02 . 1 . . . A 137 LEU HD2 . 25513 1 1552 . 1 1 137 137 LEU HD22 H 1 0.882 0.02 . 1 . . . A 137 LEU HD2 . 25513 1 1553 . 1 1 137 137 LEU HD23 H 1 0.882 0.02 . 1 . . . A 137 LEU HD2 . 25513 1 1554 . 1 1 137 137 LEU HG H 1 1.984 0.02 . 1 . . . A 137 LEU HG . 25513 1 1555 . 1 1 137 137 LEU CA C 13 55.023 0.30 . 1 . . . A 137 LEU CA . 25513 1 1556 . 1 1 137 137 LEU CB C 13 42.194 0.30 . 1 . . . A 137 LEU CB . 25513 1 1557 . 1 1 137 137 LEU CD1 C 13 26.670 0.30 . 1 . . . A 137 LEU CD1 . 25513 1 1558 . 1 1 137 137 LEU CD2 C 13 23.310 0.30 . 1 . . . A 137 LEU CD2 . 25513 1 1559 . 1 1 137 137 LEU CG C 13 27.011 0.30 . 1 . . . A 137 LEU CG . 25513 1 1560 . 1 1 137 137 LEU N N 15 112.524 0.30 . 1 . . . A 137 LEU N . 25513 1 1561 . 1 1 138 138 TYR H H 1 8.100 0.02 . 1 . . . A 138 TYR H . 25513 1 1562 . 1 1 138 138 TYR HA H 1 4.375 0.02 . 1 . . . A 138 TYR HA . 25513 1 1563 . 1 1 138 138 TYR HB2 H 1 3.169 0.02 . 2 . . . A 138 TYR HB2 . 25513 1 1564 . 1 1 138 138 TYR HB3 H 1 3.716 0.02 . 2 . . . A 138 TYR HB3 . 25513 1 1565 . 1 1 138 138 TYR HD1 H 1 7.038 0.02 . 1 . . . A 138 TYR HD1 . 25513 1 1566 . 1 1 138 138 TYR HD2 H 1 7.038 0.02 . 1 . . . A 138 TYR HD2 . 25513 1 1567 . 1 1 138 138 TYR HE1 H 1 6.851 0.02 . 1 . . . A 138 TYR HE1 . 25513 1 1568 . 1 1 138 138 TYR HE2 H 1 6.851 0.02 . 1 . . . A 138 TYR HE2 . 25513 1 1569 . 1 1 138 138 TYR CA C 13 60.530 0.30 . 1 . . . A 138 TYR CA . 25513 1 1570 . 1 1 138 138 TYR CB C 13 37.761 0.30 . 1 . . . A 138 TYR CB . 25513 1 1571 . 1 1 138 138 TYR CD1 C 13 131.316 0.30 . 1 . . . A 138 TYR CD1 . 25513 1 1572 . 1 1 138 138 TYR CD2 C 13 131.316 0.30 . 1 . . . A 138 TYR CD2 . 25513 1 1573 . 1 1 138 138 TYR CE1 C 13 118.193 0.30 . 1 . . . A 138 TYR CE1 . 25513 1 1574 . 1 1 138 138 TYR CE2 C 13 118.193 0.30 . 1 . . . A 138 TYR CE2 . 25513 1 1575 . 1 1 138 138 TYR N N 15 120.910 0.30 . 1 . . . A 138 TYR N . 25513 1 1576 . 1 1 139 139 PRO HA H 1 4.282 0.02 . 1 . . . A 139 PRO HA . 25513 1 1577 . 1 1 139 139 PRO HB2 H 1 1.784 0.02 . 2 . . . A 139 PRO HB2 . 25513 1 1578 . 1 1 139 139 PRO HB3 H 1 2.044 0.02 . 2 . . . A 139 PRO HB3 . 25513 1 1579 . 1 1 139 139 PRO HD2 H 1 4.112 0.02 . 2 . . . A 139 PRO HD2 . 25513 1 1580 . 1 1 139 139 PRO HD3 H 1 3.904 0.02 . 2 . . . A 139 PRO HD3 . 25513 1 1581 . 1 1 139 139 PRO HG2 H 1 2.076 0.02 . 2 . . . A 139 PRO HG2 . 25513 1 1582 . 1 1 139 139 PRO HG3 H 1 1.807 0.02 . 2 . . . A 139 PRO HG3 . 25513 1 1583 . 1 1 139 139 PRO CA C 13 65.904 0.30 . 1 . . . A 139 PRO CA . 25513 1 1584 . 1 1 139 139 PRO CB C 13 31.019 0.30 . 1 . . . A 139 PRO CB . 25513 1 1585 . 1 1 139 139 PRO CD C 13 50.708 0.30 . 1 . . . A 139 PRO CD . 25513 1 1586 . 1 1 139 139 PRO CG C 13 28.716 0.30 . 1 . . . A 139 PRO CG . 25513 1 1587 . 1 1 140 140 TYR H H 1 6.658 0.02 . 1 . . . A 140 TYR H . 25513 1 1588 . 1 1 140 140 TYR HA H 1 4.502 0.02 . 1 . . . A 140 TYR HA . 25513 1 1589 . 1 1 140 140 TYR HB2 H 1 3.534 0.02 . 2 . . . A 140 TYR HB2 . 25513 1 1590 . 1 1 140 140 TYR HB3 H 1 3.711 0.02 . 2 . . . A 140 TYR HB3 . 25513 1 1591 . 1 1 140 140 TYR HD1 H 1 6.954 0.02 . 3 . . . A 140 TYR HD1 . 25513 1 1592 . 1 1 140 140 TYR HD2 H 1 6.957 0.02 . 3 . . . A 140 TYR HD2 . 25513 1 1593 . 1 1 140 140 TYR HE1 H 1 6.833 0.02 . 3 . . . A 140 TYR HE1 . 25513 1 1594 . 1 1 140 140 TYR HE2 H 1 6.832 0.02 . 3 . . . A 140 TYR HE2 . 25513 1 1595 . 1 1 140 140 TYR CA C 13 58.845 0.30 . 1 . . . A 140 TYR CA . 25513 1 1596 . 1 1 140 140 TYR CB C 13 38.117 0.30 . 1 . . . A 140 TYR CB . 25513 1 1597 . 1 1 140 140 TYR CD1 C 13 133.221 0.30 . 1 . . . A 140 TYR CD1 . 25513 1 1598 . 1 1 140 140 TYR CD2 C 13 133.221 0.30 . 1 . . . A 140 TYR CD2 . 25513 1 1599 . 1 1 140 140 TYR CE1 C 13 117.592 0.30 . 1 . . . A 140 TYR CE1 . 25513 1 1600 . 1 1 140 140 TYR CE2 C 13 117.592 0.30 . 1 . . . A 140 TYR CE2 . 25513 1 1601 . 1 1 140 140 TYR N N 15 116.796 0.30 . 1 . . . A 140 TYR N . 25513 1 1602 . 1 1 141 141 LEU H H 1 8.476 0.02 . 1 . . . A 141 LEU H . 25513 1 1603 . 1 1 141 141 LEU HA H 1 3.896 0.02 . 1 . . . A 141 LEU HA . 25513 1 1604 . 1 1 141 141 LEU HB2 H 1 2.176 0.02 . 2 . . . A 141 LEU HB2 . 25513 1 1605 . 1 1 141 141 LEU HB3 H 1 1.386 0.02 . 2 . . . A 141 LEU HB3 . 25513 1 1606 . 1 1 141 141 LEU HD11 H 1 1.120 0.02 . 1 . . . A 141 LEU HD1 . 25513 1 1607 . 1 1 141 141 LEU HD12 H 1 1.120 0.02 . 1 . . . A 141 LEU HD1 . 25513 1 1608 . 1 1 141 141 LEU HD13 H 1 1.120 0.02 . 1 . . . A 141 LEU HD1 . 25513 1 1609 . 1 1 141 141 LEU HD21 H 1 0.734 0.02 . 1 . . . A 141 LEU HD2 . 25513 1 1610 . 1 1 141 141 LEU HD22 H 1 0.734 0.02 . 1 . . . A 141 LEU HD2 . 25513 1 1611 . 1 1 141 141 LEU HD23 H 1 0.734 0.02 . 1 . . . A 141 LEU HD2 . 25513 1 1612 . 1 1 141 141 LEU HG H 1 1.118 0.02 . 1 . . . A 141 LEU HG . 25513 1 1613 . 1 1 141 141 LEU CA C 13 57.749 0.30 . 1 . . . A 141 LEU CA . 25513 1 1614 . 1 1 141 141 LEU CB C 13 41.563 0.30 . 1 . . . A 141 LEU CB . 25513 1 1615 . 1 1 141 141 LEU CD1 C 13 25.800 0.30 . 1 . . . A 141 LEU CD1 . 25513 1 1616 . 1 1 141 141 LEU CD2 C 13 22.229 0.30 . 1 . . . A 141 LEU CD2 . 25513 1 1617 . 1 1 141 141 LEU CG C 13 25.890 0.30 . 1 . . . A 141 LEU CG . 25513 1 1618 . 1 1 141 141 LEU N N 15 118.631 0.30 . 1 . . . A 141 LEU N . 25513 1 1619 . 1 1 142 142 ALA H H 1 7.614 0.02 . 1 . . . A 142 ALA H . 25513 1 1620 . 1 1 142 142 ALA HA H 1 3.985 0.02 . 1 . . . A 142 ALA HA . 25513 1 1621 . 1 1 142 142 ALA HB1 H 1 1.493 0.02 . 1 . . . A 142 ALA HB . 25513 1 1622 . 1 1 142 142 ALA HB2 H 1 1.493 0.02 . 1 . . . A 142 ALA HB . 25513 1 1623 . 1 1 142 142 ALA HB3 H 1 1.493 0.02 . 1 . . . A 142 ALA HB . 25513 1 1624 . 1 1 142 142 ALA CA C 13 55.672 0.30 . 1 . . . A 142 ALA CA . 25513 1 1625 . 1 1 142 142 ALA CB C 13 18.231 0.30 . 1 . . . A 142 ALA CB . 25513 1 1626 . 1 1 142 142 ALA N N 15 118.626 0.30 . 1 . . . A 142 ALA N . 25513 1 1627 . 1 1 143 143 TRP H H 1 8.252 0.02 . 1 . . . A 143 TRP H . 25513 1 1628 . 1 1 143 143 TRP HA H 1 4.447 0.02 . 1 . . . A 143 TRP HA . 25513 1 1629 . 1 1 143 143 TRP HB2 H 1 3.068 0.02 . 2 . . . A 143 TRP HB2 . 25513 1 1630 . 1 1 143 143 TRP HB3 H 1 2.911 0.02 . 2 . . . A 143 TRP HB3 . 25513 1 1631 . 1 1 143 143 TRP HD1 H 1 5.651 0.02 . 1 . . . A 143 TRP HD1 . 25513 1 1632 . 1 1 143 143 TRP HE1 H 1 7.637 0.02 . 1 . . . A 143 TRP HE1 . 25513 1 1633 . 1 1 143 143 TRP HZ2 H 1 5.620 0.02 . 1 . . . A 143 TRP HZ2 . 25513 1 1634 . 1 1 143 143 TRP CA C 13 60.257 0.30 . 1 . . . A 143 TRP CA . 25513 1 1635 . 1 1 143 143 TRP CB C 13 30.322 0.30 . 1 . . . A 143 TRP CB . 25513 1 1636 . 1 1 143 143 TRP CD1 C 13 126.114 0.30 . 1 . . . A 143 TRP CD1 . 25513 1 1637 . 1 1 143 143 TRP CZ2 C 13 113.327 0.30 . 1 . . . A 143 TRP CZ2 . 25513 1 1638 . 1 1 143 143 TRP N N 15 118.685 0.30 . 1 . . . A 143 TRP N . 25513 1 1639 . 1 1 143 143 TRP NE1 N 15 125.063 0.30 . 1 . . . A 143 TRP NE1 . 25513 1 1640 . 1 1 144 144 LEU H H 1 9.126 0.02 . 1 . . . A 144 LEU H . 25513 1 1641 . 1 1 144 144 LEU HA H 1 3.826 0.02 . 1 . . . A 144 LEU HA . 25513 1 1642 . 1 1 144 144 LEU HB2 H 1 1.525 0.02 . 2 . . . A 144 LEU HB2 . 25513 1 1643 . 1 1 144 144 LEU HB3 H 1 1.883 0.02 . 2 . . . A 144 LEU HB3 . 25513 1 1644 . 1 1 144 144 LEU HD11 H 1 0.190 0.02 . 1 . . . A 144 LEU HD1 . 25513 1 1645 . 1 1 144 144 LEU HD12 H 1 0.190 0.02 . 1 . . . A 144 LEU HD1 . 25513 1 1646 . 1 1 144 144 LEU HD13 H 1 0.190 0.02 . 1 . . . A 144 LEU HD1 . 25513 1 1647 . 1 1 144 144 LEU HD21 H 1 0.735 0.02 . 1 . . . A 144 LEU HD2 . 25513 1 1648 . 1 1 144 144 LEU HD22 H 1 0.735 0.02 . 1 . . . A 144 LEU HD2 . 25513 1 1649 . 1 1 144 144 LEU HD23 H 1 0.735 0.02 . 1 . . . A 144 LEU HD2 . 25513 1 1650 . 1 1 144 144 LEU HG H 1 0.943 0.02 . 1 . . . A 144 LEU HG . 25513 1 1651 . 1 1 144 144 LEU CA C 13 58.576 0.30 . 1 . . . A 144 LEU CA . 25513 1 1652 . 1 1 144 144 LEU CB C 13 41.087 0.30 . 1 . . . A 144 LEU CB . 25513 1 1653 . 1 1 144 144 LEU CD1 C 13 26.042 0.30 . 1 . . . A 144 LEU CD1 . 25513 1 1654 . 1 1 144 144 LEU CD2 C 13 22.081 0.30 . 1 . . . A 144 LEU CD2 . 25513 1 1655 . 1 1 144 144 LEU CG C 13 25.549 0.30 . 1 . . . A 144 LEU CG . 25513 1 1656 . 1 1 144 144 LEU N N 15 122.195 0.30 . 1 . . . A 144 LEU N . 25513 1 1657 . 1 1 145 145 ALA H H 1 8.200 0.02 . 1 . . . A 145 ALA H . 25513 1 1658 . 1 1 145 145 ALA HA H 1 3.999 0.02 . 1 . . . A 145 ALA HA . 25513 1 1659 . 1 1 145 145 ALA HB1 H 1 1.483 0.02 . 1 . . . A 145 ALA HB . 25513 1 1660 . 1 1 145 145 ALA HB2 H 1 1.483 0.02 . 1 . . . A 145 ALA HB . 25513 1 1661 . 1 1 145 145 ALA HB3 H 1 1.483 0.02 . 1 . . . A 145 ALA HB . 25513 1 1662 . 1 1 145 145 ALA CA C 13 56.155 0.30 . 1 . . . A 145 ALA CA . 25513 1 1663 . 1 1 145 145 ALA CB C 13 17.628 0.30 . 1 . . . A 145 ALA CB . 25513 1 1664 . 1 1 145 145 ALA N N 15 124.716 0.30 . 1 . . . A 145 ALA N . 25513 1 1665 . 1 1 146 146 PHE H H 1 7.611 0.02 . 1 . . . A 146 PHE H . 25513 1 1666 . 1 1 146 146 PHE HA H 1 4.083 0.02 . 1 . . . A 146 PHE HA . 25513 1 1667 . 1 1 146 146 PHE HB2 H 1 3.005 0.02 . 2 . . . A 146 PHE HB2 . 25513 1 1668 . 1 1 146 146 PHE HB3 H 1 2.873 0.02 . 2 . . . A 146 PHE HB3 . 25513 1 1669 . 1 1 146 146 PHE HD1 H 1 6.478 0.02 . 3 . . . A 146 PHE HD1 . 25513 1 1670 . 1 1 146 146 PHE HD2 H 1 6.477 0.02 . 3 . . . A 146 PHE HD2 . 25513 1 1671 . 1 1 146 146 PHE HE1 H 1 7.038 0.02 . 3 . . . A 146 PHE HE1 . 25513 1 1672 . 1 1 146 146 PHE HE2 H 1 7.063 0.02 . 3 . . . A 146 PHE HE2 . 25513 1 1673 . 1 1 146 146 PHE HZ H 1 7.543 0.02 . 1 . . . A 146 PHE HZ . 25513 1 1674 . 1 1 146 146 PHE CA C 13 61.911 0.30 . 1 . . . A 146 PHE CA . 25513 1 1675 . 1 1 146 146 PHE CB C 13 39.900 0.30 . 1 . . . A 146 PHE CB . 25513 1 1676 . 1 1 146 146 PHE CD1 C 13 132.131 0.30 . 1 . . . A 146 PHE CD1 . 25513 1 1677 . 1 1 146 146 PHE CD2 C 13 132.131 0.30 . 1 . . . A 146 PHE CD2 . 25513 1 1678 . 1 1 146 146 PHE CE1 C 13 130.971 0.30 . 1 . . . A 146 PHE CE1 . 25513 1 1679 . 1 1 146 146 PHE CE2 C 13 130.927 0.30 . 1 . . . A 146 PHE CE2 . 25513 1 1680 . 1 1 146 146 PHE CZ C 13 128.697 0.30 . 1 . . . A 146 PHE CZ . 25513 1 1681 . 1 1 146 146 PHE N N 15 118.712 0.30 . 1 . . . A 146 PHE N . 25513 1 1682 . 1 1 147 147 THR H H 1 8.904 0.02 . 1 . . . A 147 THR H . 25513 1 1683 . 1 1 147 147 THR HA H 1 3.558 0.02 . 1 . . . A 147 THR HA . 25513 1 1684 . 1 1 147 147 THR HB H 1 4.056 0.02 . 1 . . . A 147 THR HB . 25513 1 1685 . 1 1 147 147 THR HG21 H 1 0.660 0.02 . 1 . . . A 147 THR HG2 . 25513 1 1686 . 1 1 147 147 THR HG22 H 1 0.660 0.02 . 1 . . . A 147 THR HG2 . 25513 1 1687 . 1 1 147 147 THR HG23 H 1 0.660 0.02 . 1 . . . A 147 THR HG2 . 25513 1 1688 . 1 1 147 147 THR CA C 13 66.309 0.30 . 1 . . . A 147 THR CA . 25513 1 1689 . 1 1 147 147 THR CB C 13 69.390 0.30 . 1 . . . A 147 THR CB . 25513 1 1690 . 1 1 147 147 THR CG2 C 13 23.901 0.30 . 1 . . . A 147 THR CG2 . 25513 1 1691 . 1 1 147 147 THR N N 15 109.972 0.30 . 1 . . . A 147 THR N . 25513 1 1692 . 1 1 148 148 THR H H 1 8.482 0.02 . 1 . . . A 148 THR H . 25513 1 1693 . 1 1 148 148 THR HA H 1 4.327 0.02 . 1 . . . A 148 THR HA . 25513 1 1694 . 1 1 148 148 THR HB H 1 3.487 0.02 . 1 . . . A 148 THR HB . 25513 1 1695 . 1 1 148 148 THR HG21 H 1 1.220 0.02 . 1 . . . A 148 THR HG2 . 25513 1 1696 . 1 1 148 148 THR HG22 H 1 1.220 0.02 . 1 . . . A 148 THR HG2 . 25513 1 1697 . 1 1 148 148 THR HG23 H 1 1.220 0.02 . 1 . . . A 148 THR HG2 . 25513 1 1698 . 1 1 148 148 THR CA C 13 68.450 0.30 . 1 . . . A 148 THR CA . 25513 1 1699 . 1 1 148 148 THR CB C 13 68.149 0.30 . 1 . . . A 148 THR CB . 25513 1 1700 . 1 1 148 148 THR CG2 C 13 21.991 0.30 . 1 . . . A 148 THR CG2 . 25513 1 1701 . 1 1 148 148 THR N N 15 118.766 0.30 . 1 . . . A 148 THR N . 25513 1 1702 . 1 1 149 149 VAL H H 1 7.705 0.02 . 1 . . . A 149 VAL H . 25513 1 1703 . 1 1 149 149 VAL HA H 1 3.782 0.02 . 1 . . . A 149 VAL HA . 25513 1 1704 . 1 1 149 149 VAL HB H 1 2.427 0.02 . 1 . . . A 149 VAL HB . 25513 1 1705 . 1 1 149 149 VAL HG11 H 1 1.325 0.02 . 1 . . . A 149 VAL HG1 . 25513 1 1706 . 1 1 149 149 VAL HG12 H 1 1.325 0.02 . 1 . . . A 149 VAL HG1 . 25513 1 1707 . 1 1 149 149 VAL HG13 H 1 1.325 0.02 . 1 . . . A 149 VAL HG1 . 25513 1 1708 . 1 1 149 149 VAL HG21 H 1 1.205 0.02 . 1 . . . A 149 VAL HG2 . 25513 1 1709 . 1 1 149 149 VAL HG22 H 1 1.205 0.02 . 1 . . . A 149 VAL HG2 . 25513 1 1710 . 1 1 149 149 VAL HG23 H 1 1.205 0.02 . 1 . . . A 149 VAL HG2 . 25513 1 1711 . 1 1 149 149 VAL CA C 13 68.003 0.30 . 1 . . . A 149 VAL CA . 25513 1 1712 . 1 1 149 149 VAL CB C 13 31.490 0.30 . 1 . . . A 149 VAL CB . 25513 1 1713 . 1 1 149 149 VAL CG1 C 13 23.344 0.30 . 1 . . . A 149 VAL CG1 . 25513 1 1714 . 1 1 149 149 VAL CG2 C 13 23.911 0.30 . 1 . . . A 149 VAL CG2 . 25513 1 1715 . 1 1 149 149 VAL N N 15 122.544 0.30 . 1 . . . A 149 VAL N . 25513 1 1716 . 1 1 150 150 LEU H H 1 8.320 0.02 . 1 . . . A 150 LEU H . 25513 1 1717 . 1 1 150 150 LEU HA H 1 4.246 0.02 . 1 . . . A 150 LEU HA . 25513 1 1718 . 1 1 150 150 LEU HB2 H 1 1.509 0.02 . 2 . . . A 150 LEU HB2 . 25513 1 1719 . 1 1 150 150 LEU HB3 H 1 1.739 0.02 . 2 . . . A 150 LEU HB3 . 25513 1 1720 . 1 1 150 150 LEU HD11 H 1 0.561 0.02 . 1 . . . A 150 LEU HD1 . 25513 1 1721 . 1 1 150 150 LEU HD12 H 1 0.561 0.02 . 1 . . . A 150 LEU HD1 . 25513 1 1722 . 1 1 150 150 LEU HD13 H 1 0.561 0.02 . 1 . . . A 150 LEU HD1 . 25513 1 1723 . 1 1 150 150 LEU HD21 H 1 0.640 0.02 . 1 . . . A 150 LEU HD2 . 25513 1 1724 . 1 1 150 150 LEU HD22 H 1 0.640 0.02 . 1 . . . A 150 LEU HD2 . 25513 1 1725 . 1 1 150 150 LEU HD23 H 1 0.640 0.02 . 1 . . . A 150 LEU HD2 . 25513 1 1726 . 1 1 150 150 LEU HG H 1 1.523 0.02 . 1 . . . A 150 LEU HG . 25513 1 1727 . 1 1 150 150 LEU CA C 13 59.445 0.30 . 1 . . . A 150 LEU CA . 25513 1 1728 . 1 1 150 150 LEU CB C 13 42.354 0.30 . 1 . . . A 150 LEU CB . 25513 1 1729 . 1 1 150 150 LEU CD1 C 13 24.669 0.30 . 1 . . . A 150 LEU CD1 . 25513 1 1730 . 1 1 150 150 LEU CD2 C 13 26.011 0.30 . 1 . . . A 150 LEU CD2 . 25513 1 1731 . 1 1 150 150 LEU CG C 13 27.191 0.30 . 1 . . . A 150 LEU CG . 25513 1 1732 . 1 1 150 150 LEU N N 15 120.840 0.30 . 1 . . . A 150 LEU N . 25513 1 1733 . 1 1 151 151 ASN H H 1 9.270 0.02 . 1 . . . A 151 ASN H . 25513 1 1734 . 1 1 151 151 ASN HA H 1 4.513 0.02 . 1 . . . A 151 ASN HA . 25513 1 1735 . 1 1 151 151 ASN HB2 H 1 3.064 0.02 . 2 . . . A 151 ASN HB2 . 25513 1 1736 . 1 1 151 151 ASN HB3 H 1 3.466 0.02 . 2 . . . A 151 ASN HB3 . 25513 1 1737 . 1 1 151 151 ASN HD21 H 1 7.653 0.02 . 1 . . . A 151 ASN HD21 . 25513 1 1738 . 1 1 151 151 ASN HD22 H 1 6.925 0.02 . 1 . . . A 151 ASN HD22 . 25513 1 1739 . 1 1 151 151 ASN CA C 13 56.647 0.30 . 1 . . . A 151 ASN CA . 25513 1 1740 . 1 1 151 151 ASN CB C 13 40.647 0.30 . 1 . . . A 151 ASN CB . 25513 1 1741 . 1 1 151 151 ASN N N 15 118.732 0.30 . 1 . . . A 151 ASN N . 25513 1 1742 . 1 1 151 151 ASN ND2 N 15 113.004 0.30 . 1 . . . A 151 ASN ND2 . 25513 1 1743 . 1 1 152 152 TYR H H 1 9.321 0.02 . 1 . . . A 152 TYR H . 25513 1 1744 . 1 1 152 152 TYR HA H 1 4.655 0.02 . 1 . . . A 152 TYR HA . 25513 1 1745 . 1 1 152 152 TYR HB2 H 1 3.309 0.02 . 2 . . . A 152 TYR HB2 . 25513 1 1746 . 1 1 152 152 TYR HB3 H 1 3.724 0.02 . 2 . . . A 152 TYR HB3 . 25513 1 1747 . 1 1 152 152 TYR HD1 H 1 6.989 0.02 . 3 . . . A 152 TYR HD1 . 25513 1 1748 . 1 1 152 152 TYR HD2 H 1 6.989 0.02 . 3 . . . A 152 TYR HD2 . 25513 1 1749 . 1 1 152 152 TYR CA C 13 63.508 0.30 . 1 . . . A 152 TYR CA . 25513 1 1750 . 1 1 152 152 TYR CB C 13 37.807 0.30 . 1 . . . A 152 TYR CB . 25513 1 1751 . 1 1 152 152 TYR CD1 C 13 133.373 0.30 . 1 . . . A 152 TYR CD1 . 25513 1 1752 . 1 1 152 152 TYR CD2 C 13 133.373 0.30 . 1 . . . A 152 TYR CD2 . 25513 1 1753 . 1 1 152 152 TYR N N 15 124.990 0.30 . 1 . . . A 152 TYR N . 25513 1 1754 . 1 1 153 153 TYR H H 1 8.761 0.02 . 1 . . . A 153 TYR H . 25513 1 1755 . 1 1 153 153 TYR HA H 1 4.556 0.02 . 1 . . . A 153 TYR HA . 25513 1 1756 . 1 1 153 153 TYR HB2 H 1 3.738 0.02 . 2 . . . A 153 TYR HB2 . 25513 1 1757 . 1 1 153 153 TYR HB3 H 1 3.186 0.02 . 2 . . . A 153 TYR HB3 . 25513 1 1758 . 1 1 153 153 TYR HD1 H 1 6.986 0.02 . 1 . . . A 153 TYR HD1 . 25513 1 1759 . 1 1 153 153 TYR HD2 H 1 6.986 0.02 . 1 . . . A 153 TYR HD2 . 25513 1 1760 . 1 1 153 153 TYR HE1 H 1 6.813 0.02 . 1 . . . A 153 TYR HE1 . 25513 1 1761 . 1 1 153 153 TYR HE2 H 1 6.813 0.02 . 1 . . . A 153 TYR HE2 . 25513 1 1762 . 1 1 153 153 TYR CA C 13 64.006 0.30 . 1 . . . A 153 TYR CA . 25513 1 1763 . 1 1 153 153 TYR CB C 13 39.368 0.30 . 1 . . . A 153 TYR CB . 25513 1 1764 . 1 1 153 153 TYR CD1 C 13 133.342 0.30 . 1 . . . A 153 TYR CD1 . 25513 1 1765 . 1 1 153 153 TYR CD2 C 13 132.021 0.30 . 1 . . . A 153 TYR CD2 . 25513 1 1766 . 1 1 153 153 TYR CE1 C 13 118.281 0.30 . 1 . . . A 153 TYR CE1 . 25513 1 1767 . 1 1 153 153 TYR CE2 C 13 118.281 0.30 . 1 . . . A 153 TYR CE2 . 25513 1 1768 . 1 1 153 153 TYR N N 15 120.535 0.30 . 1 . . . A 153 TYR N . 25513 1 1769 . 1 1 154 154 VAL H H 1 8.749 0.02 . 1 . . . A 154 VAL H . 25513 1 1770 . 1 1 154 154 VAL HA H 1 3.819 0.02 . 1 . . . A 154 VAL HA . 25513 1 1771 . 1 1 154 154 VAL HB H 1 2.442 0.02 . 1 . . . A 154 VAL HB . 25513 1 1772 . 1 1 154 154 VAL HG11 H 1 1.361 0.02 . 1 . . . A 154 VAL HG1 . 25513 1 1773 . 1 1 154 154 VAL HG12 H 1 1.361 0.02 . 1 . . . A 154 VAL HG1 . 25513 1 1774 . 1 1 154 154 VAL HG13 H 1 1.361 0.02 . 1 . . . A 154 VAL HG1 . 25513 1 1775 . 1 1 154 154 VAL HG21 H 1 1.427 0.02 . 1 . . . A 154 VAL HG2 . 25513 1 1776 . 1 1 154 154 VAL HG22 H 1 1.427 0.02 . 1 . . . A 154 VAL HG2 . 25513 1 1777 . 1 1 154 154 VAL HG23 H 1 1.427 0.02 . 1 . . . A 154 VAL HG2 . 25513 1 1778 . 1 1 154 154 VAL CA C 13 67.340 0.30 . 1 . . . A 154 VAL CA . 25513 1 1779 . 1 1 154 154 VAL CB C 13 32.608 0.30 . 1 . . . A 154 VAL CB . 25513 1 1780 . 1 1 154 154 VAL CG1 C 13 23.335 0.30 . 1 . . . A 154 VAL CG1 . 25513 1 1781 . 1 1 154 154 VAL CG2 C 13 23.427 0.30 . 1 . . . A 154 VAL CG2 . 25513 1 1782 . 1 1 154 154 VAL N N 15 116.784 0.30 . 1 . . . A 154 VAL N . 25513 1 1783 . 1 1 155 155 TRP H H 1 8.672 0.02 . 1 . . . A 155 TRP H . 25513 1 1784 . 1 1 155 155 TRP HA H 1 4.553 0.02 . 1 . . . A 155 TRP HA . 25513 1 1785 . 1 1 155 155 TRP HB2 H 1 3.807 0.02 . 2 . . . A 155 TRP HB2 . 25513 1 1786 . 1 1 155 155 TRP HB3 H 1 3.468 0.02 . 2 . . . A 155 TRP HB3 . 25513 1 1787 . 1 1 155 155 TRP HD1 H 1 7.177 0.02 . 1 . . . A 155 TRP HD1 . 25513 1 1788 . 1 1 155 155 TRP HE1 H 1 10.842 0.02 . 1 . . . A 155 TRP HE1 . 25513 1 1789 . 1 1 155 155 TRP HZ2 H 1 7.534 0.02 . 1 . . . A 155 TRP HZ2 . 25513 1 1790 . 1 1 155 155 TRP CA C 13 61.306 0.30 . 1 . . . A 155 TRP CA . 25513 1 1791 . 1 1 155 155 TRP CB C 13 28.596 0.30 . 1 . . . A 155 TRP CB . 25513 1 1792 . 1 1 155 155 TRP CD1 C 13 126.808 0.30 . 1 . . . A 155 TRP CD1 . 25513 1 1793 . 1 1 155 155 TRP CZ2 C 13 114.679 0.30 . 1 . . . A 155 TRP CZ2 . 25513 1 1794 . 1 1 155 155 TRP N N 15 122.193 0.30 . 1 . . . A 155 TRP N . 25513 1 1795 . 1 1 155 155 TRP NE1 N 15 132.370 0.30 . 1 . . . A 155 TRP NE1 . 25513 1 1796 . 1 1 156 156 ARG H H 1 9.043 0.02 . 1 . . . A 156 ARG H . 25513 1 1797 . 1 1 156 156 ARG HA H 1 3.002 0.02 . 1 . . . A 156 ARG HA . 25513 1 1798 . 1 1 156 156 ARG HB2 H 1 1.335 0.02 . 2 . . . A 156 ARG HB2 . 25513 1 1799 . 1 1 156 156 ARG HB3 H 1 1.647 0.02 . 2 . . . A 156 ARG HB3 . 25513 1 1800 . 1 1 156 156 ARG HD2 H 1 3.139 0.02 . 2 . . . A 156 ARG HD2 . 25513 1 1801 . 1 1 156 156 ARG HD3 H 1 2.814 0.02 . 2 . . . A 156 ARG HD3 . 25513 1 1802 . 1 1 156 156 ARG HE H 1 7.288 0.02 . 1 . . . A 156 ARG HE . 25513 1 1803 . 1 1 156 156 ARG HG2 H 1 1.504 0.02 . 2 . . . A 156 ARG HG2 . 25513 1 1804 . 1 1 156 156 ARG HG3 H 1 1.301 0.02 . 2 . . . A 156 ARG HG3 . 25513 1 1805 . 1 1 156 156 ARG CA C 13 59.331 0.30 . 1 . . . A 156 ARG CA . 25513 1 1806 . 1 1 156 156 ARG CB C 13 30.535 0.30 . 1 . . . A 156 ARG CB . 25513 1 1807 . 1 1 156 156 ARG CD C 13 43.444 0.30 . 1 . . . A 156 ARG CD . 25513 1 1808 . 1 1 156 156 ARG CG C 13 25.907 0.30 . 1 . . . A 156 ARG CG . 25513 1 1809 . 1 1 156 156 ARG N N 15 120.984 0.30 . 1 . . . A 156 ARG N . 25513 1 1810 . 1 1 156 156 ARG NE N 15 106.326 0.30 . 1 . . . A 156 ARG NE . 25513 1 1811 . 1 1 157 157 ASP H H 1 8.329 0.02 . 1 . . . A 157 ASP H . 25513 1 1812 . 1 1 157 157 ASP HA H 1 4.623 0.02 . 1 . . . A 157 ASP HA . 25513 1 1813 . 1 1 157 157 ASP HB2 H 1 2.579 0.02 . 2 . . . A 157 ASP HB2 . 25513 1 1814 . 1 1 157 157 ASP HB3 H 1 2.768 0.02 . 2 . . . A 157 ASP HB3 . 25513 1 1815 . 1 1 157 157 ASP CA C 13 56.404 0.30 . 1 . . . A 157 ASP CA . 25513 1 1816 . 1 1 157 157 ASP CB C 13 41.473 0.30 . 1 . . . A 157 ASP CB . 25513 1 1817 . 1 1 157 157 ASP N N 15 115.082 0.30 . 1 . . . A 157 ASP N . 25513 1 1818 . 1 1 158 158 ASN H H 1 7.318 0.02 . 1 . . . A 158 ASN H . 25513 1 1819 . 1 1 158 158 ASN HA H 1 5.149 0.02 . 1 . . . A 158 ASN HA . 25513 1 1820 . 1 1 158 158 ASN HB2 H 1 2.756 0.02 . 2 . . . A 158 ASN HB2 . 25513 1 1821 . 1 1 158 158 ASN HB3 H 1 2.797 0.02 . 2 . . . A 158 ASN HB3 . 25513 1 1822 . 1 1 158 158 ASN HD21 H 1 7.654 0.02 . 1 . . . A 158 ASN HD21 . 25513 1 1823 . 1 1 158 158 ASN HD22 H 1 6.876 0.02 . 1 . . . A 158 ASN HD22 . 25513 1 1824 . 1 1 158 158 ASN CA C 13 53.860 0.30 . 1 . . . A 158 ASN CA . 25513 1 1825 . 1 1 158 158 ASN CB C 13 41.699 0.30 . 1 . . . A 158 ASN CB . 25513 1 1826 . 1 1 158 158 ASN N N 15 114.885 0.30 . 1 . . . A 158 ASN N . 25513 1 1827 . 1 1 158 158 ASN ND2 N 15 112.993 0.30 . 1 . . . A 158 ASN ND2 . 25513 1 1828 . 1 1 159 159 SER H H 1 7.727 0.02 . 1 . . . A 159 SER H . 25513 1 1829 . 1 1 159 159 SER HA H 1 4.541 0.02 . 1 . . . A 159 SER HA . 25513 1 1830 . 1 1 159 159 SER HB2 H 1 3.831 0.02 . 2 . . . A 159 SER HB2 . 25513 1 1831 . 1 1 159 159 SER HB3 H 1 3.849 0.02 . 2 . . . A 159 SER HB3 . 25513 1 1832 . 1 1 159 159 SER CA C 13 59.893 0.30 . 1 . . . A 159 SER CA . 25513 1 1833 . 1 1 159 159 SER CB C 13 64.295 0.30 . 1 . . . A 159 SER CB . 25513 1 1834 . 1 1 159 159 SER N N 15 115.779 0.30 . 1 . . . A 159 SER N . 25513 1 1835 . 1 1 160 160 GLY H H 1 8.502 0.02 . 1 . . . A 160 GLY H . 25513 1 1836 . 1 1 160 160 GLY HA2 H 1 3.986 0.02 . 2 . . . A 160 GLY HA2 . 25513 1 1837 . 1 1 160 160 GLY HA3 H 1 3.824 0.02 . 2 . . . A 160 GLY HA3 . 25513 1 1838 . 1 1 160 160 GLY CA C 13 45.747 0.30 . 1 . . . A 160 GLY CA . 25513 1 1839 . 1 1 160 160 GLY N N 15 111.182 0.30 . 1 . . . A 160 GLY N . 25513 1 1840 . 1 1 161 161 ARG H H 1 8.069 0.02 . 1 . . . A 161 ARG H . 25513 1 1841 . 1 1 161 161 ARG HA H 1 4.422 0.02 . 1 . . . A 161 ARG HA . 25513 1 1842 . 1 1 161 161 ARG HB2 H 1 1.947 0.02 . 2 . . . A 161 ARG HB2 . 25513 1 1843 . 1 1 161 161 ARG HB3 H 1 1.822 0.02 . 2 . . . A 161 ARG HB3 . 25513 1 1844 . 1 1 161 161 ARG HD2 H 1 3.263 0.02 . 2 . . . A 161 ARG HD2 . 25513 1 1845 . 1 1 161 161 ARG HD3 H 1 3.244 0.02 . 2 . . . A 161 ARG HD3 . 25513 1 1846 . 1 1 161 161 ARG HG2 H 1 1.686 0.02 . 2 . . . A 161 ARG HG2 . 25513 1 1847 . 1 1 161 161 ARG HG3 H 1 1.708 0.02 . 2 . . . A 161 ARG HG3 . 25513 1 1848 . 1 1 161 161 ARG CA C 13 56.622 0.30 . 1 . . . A 161 ARG CA . 25513 1 1849 . 1 1 161 161 ARG CB C 13 31.036 0.30 . 1 . . . A 161 ARG CB . 25513 1 1850 . 1 1 161 161 ARG CD C 13 43.661 0.30 . 1 . . . A 161 ARG CD . 25513 1 1851 . 1 1 161 161 ARG CG C 13 27.490 0.30 . 1 . . . A 161 ARG CG . 25513 1 1852 . 1 1 161 161 ARG N N 15 120.767 0.30 . 1 . . . A 161 ARG N . 25513 1 1853 . 1 1 162 162 ARG H H 1 8.085 0.02 . 1 . . . A 162 ARG H . 25513 1 1854 . 1 1 162 162 ARG HA H 1 4.418 0.02 . 1 . . . A 162 ARG HA . 25513 1 1855 . 1 1 162 162 ARG HB2 H 1 1.830 0.02 . 2 . . . A 162 ARG HB2 . 25513 1 1856 . 1 1 162 162 ARG HB3 H 1 1.946 0.02 . 2 . . . A 162 ARG HB3 . 25513 1 1857 . 1 1 162 162 ARG HD2 H 1 3.264 0.02 . 2 . . . A 162 ARG HD2 . 25513 1 1858 . 1 1 162 162 ARG HD3 H 1 3.254 0.02 . 2 . . . A 162 ARG HD3 . 25513 1 1859 . 1 1 162 162 ARG HG2 H 1 1.660 0.02 . 2 . . . A 162 ARG HG2 . 25513 1 1860 . 1 1 162 162 ARG HG3 H 1 1.695 0.02 . 2 . . . A 162 ARG HG3 . 25513 1 1861 . 1 1 162 162 ARG CA C 13 56.636 0.30 . 1 . . . A 162 ARG CA . 25513 1 1862 . 1 1 162 162 ARG CB C 13 30.986 0.30 . 1 . . . A 162 ARG CB . 25513 1 1863 . 1 1 162 162 ARG CD C 13 43.612 0.30 . 1 . . . A 162 ARG CD . 25513 1 1864 . 1 1 162 162 ARG CG C 13 27.541 0.30 . 1 . . . A 162 ARG CG . 25513 1 1865 . 1 1 162 162 ARG N N 15 120.800 0.30 . 1 . . . A 162 ARG N . 25513 1 1866 . 1 1 163 163 GLY H H 1 8.432 0.02 . 1 . . . A 163 GLY H . 25513 1 1867 . 1 1 163 163 GLY HA2 H 1 4.093 0.02 . 2 . . . A 163 GLY HA2 . 25513 1 1868 . 1 1 163 163 GLY HA3 H 1 4.087 0.02 . 2 . . . A 163 GLY HA3 . 25513 1 1869 . 1 1 163 163 GLY CA C 13 45.803 0.30 . 1 . . . A 163 GLY CA . 25513 1 1870 . 1 1 163 163 GLY N N 15 110.427 0.30 . 1 . . . A 163 GLY N . 25513 1 1871 . 1 1 164 164 GLY H H 1 8.354 0.02 . 1 . . . A 164 GLY H . 25513 1 1872 . 1 1 164 164 GLY HA2 H 1 4.105 0.02 . 2 . . . A 164 GLY HA2 . 25513 1 1873 . 1 1 164 164 GLY HA3 H 1 4.093 0.02 . 2 . . . A 164 GLY HA3 . 25513 1 1874 . 1 1 164 164 GLY CA C 13 45.702 0.30 . 1 . . . A 164 GLY CA . 25513 1 1875 . 1 1 164 164 GLY N N 15 109.234 0.30 . 1 . . . A 164 GLY N . 25513 1 1876 . 1 1 165 165 SER H H 1 8.254 0.02 . 1 . . . A 165 SER H . 25513 1 1877 . 1 1 165 165 SER HA H 1 4.469 0.02 . 1 . . . A 165 SER HA . 25513 1 1878 . 1 1 165 165 SER HB2 H 1 3.952 0.02 . 2 . . . A 165 SER HB2 . 25513 1 1879 . 1 1 165 165 SER HB3 H 1 4.005 0.02 . 2 . . . A 165 SER HB3 . 25513 1 1880 . 1 1 165 165 SER CA C 13 59.136 0.30 . 1 . . . A 165 SER CA . 25513 1 1881 . 1 1 165 165 SER CB C 13 64.074 0.30 . 1 . . . A 165 SER CB . 25513 1 1882 . 1 1 165 165 SER N N 15 116.043 0.30 . 1 . . . A 165 SER N . 25513 1 1883 . 1 1 166 166 ARG H H 1 8.402 0.02 . 1 . . . A 166 ARG H . 25513 1 1884 . 1 1 166 166 ARG HA H 1 4.460 0.02 . 1 . . . A 166 ARG HA . 25513 1 1885 . 1 1 166 166 ARG HB2 H 1 1.879 0.02 . 2 . . . A 166 ARG HB2 . 25513 1 1886 . 1 1 166 166 ARG HB3 H 1 1.988 0.02 . 2 . . . A 166 ARG HB3 . 25513 1 1887 . 1 1 166 166 ARG HD2 H 1 3.296 0.02 . 2 . . . A 166 ARG HD2 . 25513 1 1888 . 1 1 166 166 ARG HD3 H 1 3.309 0.02 . 2 . . . A 166 ARG HD3 . 25513 1 1889 . 1 1 166 166 ARG HG2 H 1 1.720 0.02 . 2 . . . A 166 ARG HG2 . 25513 1 1890 . 1 1 166 166 ARG HG3 H 1 1.738 0.02 . 2 . . . A 166 ARG HG3 . 25513 1 1891 . 1 1 166 166 ARG CA C 13 56.650 0.30 . 1 . . . A 166 ARG CA . 25513 1 1892 . 1 1 166 166 ARG CB C 13 31.120 0.30 . 1 . . . A 166 ARG CB . 25513 1 1893 . 1 1 166 166 ARG CD C 13 43.660 0.30 . 1 . . . A 166 ARG CD . 25513 1 1894 . 1 1 166 166 ARG CG C 13 27.629 0.30 . 1 . . . A 166 ARG CG . 25513 1 1895 . 1 1 166 166 ARG N N 15 123.176 0.30 . 1 . . . A 166 ARG N . 25513 1 1896 . 1 1 167 167 LEU H H 1 8.269 0.02 . 1 . . . A 167 LEU H . 25513 1 1897 . 1 1 167 167 LEU HA H 1 4.432 0.02 . 1 . . . A 167 LEU HA . 25513 1 1898 . 1 1 167 167 LEU HB2 H 1 1.713 0.02 . 2 . . . A 167 LEU HB2 . 25513 1 1899 . 1 1 167 167 LEU HB3 H 1 1.739 0.02 . 2 . . . A 167 LEU HB3 . 25513 1 1900 . 1 1 167 167 LEU HD11 H 1 0.978 0.02 . 1 . . . A 167 LEU HD1 . 25513 1 1901 . 1 1 167 167 LEU HD12 H 1 0.978 0.02 . 1 . . . A 167 LEU HD1 . 25513 1 1902 . 1 1 167 167 LEU HD13 H 1 0.978 0.02 . 1 . . . A 167 LEU HD1 . 25513 1 1903 . 1 1 167 167 LEU HD21 H 1 1.027 0.02 . 1 . . . A 167 LEU HD2 . 25513 1 1904 . 1 1 167 167 LEU HD22 H 1 1.027 0.02 . 1 . . . A 167 LEU HD2 . 25513 1 1905 . 1 1 167 167 LEU HD23 H 1 1.027 0.02 . 1 . . . A 167 LEU HD2 . 25513 1 1906 . 1 1 167 167 LEU HG H 1 1.725 0.02 . 1 . . . A 167 LEU HG . 25513 1 1907 . 1 1 167 167 LEU CA C 13 55.700 0.30 . 1 . . . A 167 LEU CA . 25513 1 1908 . 1 1 167 167 LEU CB C 13 42.780 0.30 . 1 . . . A 167 LEU CB . 25513 1 1909 . 1 1 167 167 LEU CD1 C 13 23.927 0.30 . 1 . . . A 167 LEU CD1 . 25513 1 1910 . 1 1 167 167 LEU CD2 C 13 25.342 0.30 . 1 . . . A 167 LEU CD2 . 25513 1 1911 . 1 1 167 167 LEU CG C 13 27.566 0.30 . 1 . . . A 167 LEU CG . 25513 1 1912 . 1 1 167 167 LEU N N 15 123.418 0.30 . 1 . . . A 167 LEU N . 25513 1 1913 . 1 1 168 168 ALA H H 1 8.171 0.02 . 1 . . . A 168 ALA H . 25513 1 1914 . 1 1 168 168 ALA HA H 1 4.459 0.02 . 1 . . . A 168 ALA HA . 25513 1 1915 . 1 1 168 168 ALA HB1 H 1 1.487 0.02 . 1 . . . A 168 ALA HB . 25513 1 1916 . 1 1 168 168 ALA HB2 H 1 1.487 0.02 . 1 . . . A 168 ALA HB . 25513 1 1917 . 1 1 168 168 ALA HB3 H 1 1.487 0.02 . 1 . . . A 168 ALA HB . 25513 1 1918 . 1 1 168 168 ALA CA C 13 52.686 0.30 . 1 . . . A 168 ALA CA . 25513 1 1919 . 1 1 168 168 ALA CB C 13 19.716 0.30 . 1 . . . A 168 ALA CB . 25513 1 1920 . 1 1 168 168 ALA N N 15 124.932 0.30 . 1 . . . A 168 ALA N . 25513 1 1921 . 1 1 169 169 GLU H H 1 7.854 0.02 . 1 . . . A 169 GLU H . 25513 1 1922 . 1 1 169 169 GLU HA H 1 4.219 0.02 . 1 . . . A 169 GLU HA . 25513 1 1923 . 1 1 169 169 GLU HB2 H 1 1.994 0.02 . 2 . . . A 169 GLU HB2 . 25513 1 1924 . 1 1 169 169 GLU HB3 H 1 2.151 0.02 . 2 . . . A 169 GLU HB3 . 25513 1 1925 . 1 1 169 169 GLU HG2 H 1 2.293 0.02 . 2 . . . A 169 GLU HG2 . 25513 1 1926 . 1 1 169 169 GLU HG3 H 1 2.308 0.02 . 2 . . . A 169 GLU HG3 . 25513 1 1927 . 1 1 169 169 GLU CA C 13 58.476 0.30 . 1 . . . A 169 GLU CA . 25513 1 1928 . 1 1 169 169 GLU CB C 13 31.790 0.30 . 1 . . . A 169 GLU CB . 25513 1 1929 . 1 1 169 169 GLU CG C 13 37.150 0.30 . 1 . . . A 169 GLU CG . 25513 1 1930 . 1 1 169 169 GLU N N 15 125.768 0.30 . 1 . . . A 169 GLU N . 25513 1 stop_ save_