data_11247 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11247 _Entry.Title ; Solution structure of the FHA domain of human ubiquitin ligase protein RNF8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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.Entry_ID 1 F. Hayashi . . . 11247 2 T. Nagashima . . . 11247 3 S. Yokoyama . . . 11247 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11247 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11247 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 608 11247 '15N chemical shifts' 147 11247 '1H chemical shifts' 973 11247 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2010-07-23 original author . 11247 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CSW 'BMRB Entry Tracking System' 11247 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11247 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the FHA domain of human ubiquitin ligase protein RNF8' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Hayashi . . . 11247 1 2 T. Nagashima . . . 11247 1 3 S. Yokoyama . . . 11247 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11247 _Assembly.ID 1 _Assembly.Name 'Ubiquitin ligase protein RNF8' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.6.3.2.- _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 'FHA domain' 1 $entity_1 A . yes native no no . . . 11247 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2csw . . . . . . 11247 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11247 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FHA domain' _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 ; GSSGSSGVTGDRAGGRSWCL RRVGMSAGWLLLEDGCEVTV GRGFGVTYQLVSKICPLMIS RNHCVLKQNPEGQWTIMDNK SLNGVWLNRARLEPLRVYSI HQGDYIQLGVPLENKENAEY EYEVTEEDWETIYPCLSPKS GPSSG ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CSW . "Solution Structure Of The Fha Domain Of Human Ubiquitin Ligase Protein Rnf8" . . . . . 100.00 145 100.00 100.00 1.91e-100 . . . . 11247 1 2 no PDB 2PIE . "Crystal Structure Of The Fha Domain Of Rnf8 In Complex With Its Optimal Phosphopeptide" . . . . . 88.28 138 99.22 100.00 3.67e-88 . . . . 11247 1 3 no DBJ BAA31621 . "KIAA0646 protein [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 4 no DBJ BAA33557 . "new zinc finger protein [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 5 no DBJ BAD96485 . "ring finger protein 8 isoform 1 variant [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 4.57e-92 . . . . 11247 1 6 no DBJ BAE87261 . "unnamed protein product [Macaca fascicularis]" . . . . . 91.72 486 97.74 98.50 1.87e-89 . . . . 11247 1 7 no DBJ BAG09793 . "E3 ubiquitin-protein ligase RNF8 [synthetic construct]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 8 no EMBL CAH93334 . "hypothetical protein [Pongo abelii]" . . . . . 91.72 486 98.50 99.25 4.01e-91 . . . . 11247 1 9 no GB AAH07517 . "Ring finger protein 8 [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 10 no GB AAP36114 . "ring finger protein (C3HC4 type) 8 [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 11 no GB AAP36421 . "Homo sapiens ring finger protein (C3HC4 type) 8 [synthetic construct]" . . . . . 91.72 486 99.25 100.00 4.50e-92 . . . . 11247 1 12 no GB AAQ14887 . "UBC13/UEV-interacting ring finger protein [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 13 no GB AAX29228 . "ring finger protein 8, partial [synthetic construct]" . . . . . 91.72 486 99.25 100.00 4.50e-92 . . . . 11247 1 14 no REF NP_001126963 . "E3 ubiquitin-protein ligase RNF8 [Pongo abelii]" . . . . . 91.72 486 98.50 99.25 4.01e-91 . . . . 11247 1 15 no REF NP_001252758 . "ring finger protein 8, E3 ubiquitin protein ligase [Macaca mulatta]" . . . . . 91.72 486 97.74 98.50 1.83e-89 . . . . 11247 1 16 no REF NP_001267209 . "E3 ubiquitin-protein ligase RNF8 [Pan troglodytes]" . . . . . 91.72 485 98.50 99.25 4.69e-91 . . . . 11247 1 17 no REF NP_001274572 . "ring finger protein 8, E3 ubiquitin protein ligase [Macaca fascicularis]" . . . . . 91.72 486 97.74 98.50 1.87e-89 . . . . 11247 1 18 no REF NP_003949 . "E3 ubiquitin-protein ligase RNF8 isoform 1 [Homo sapiens]" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 19 no SP O76064 . "RecName: Full=E3 ubiquitin-protein ligase RNF8; Short=hRNF8; AltName: Full=RING finger protein 8" . . . . . 91.72 485 99.25 100.00 3.97e-92 . . . . 11247 1 20 no SP Q5R4I2 . "RecName: Full=E3 ubiquitin-protein ligase RNF8; AltName: Full=RING finger protein 8" . . . . . 91.72 486 98.50 99.25 4.01e-91 . . . . 11247 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FHA domain' . 11247 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11247 1 2 . SER . 11247 1 3 . SER . 11247 1 4 . GLY . 11247 1 5 . SER . 11247 1 6 . SER . 11247 1 7 . GLY . 11247 1 8 . VAL . 11247 1 9 . THR . 11247 1 10 . GLY . 11247 1 11 . ASP . 11247 1 12 . ARG . 11247 1 13 . ALA . 11247 1 14 . GLY . 11247 1 15 . GLY . 11247 1 16 . ARG . 11247 1 17 . SER . 11247 1 18 . TRP . 11247 1 19 . CYS . 11247 1 20 . LEU . 11247 1 21 . ARG . 11247 1 22 . ARG . 11247 1 23 . VAL . 11247 1 24 . GLY . 11247 1 25 . MET . 11247 1 26 . SER . 11247 1 27 . ALA . 11247 1 28 . GLY . 11247 1 29 . TRP . 11247 1 30 . LEU . 11247 1 31 . LEU . 11247 1 32 . LEU . 11247 1 33 . GLU . 11247 1 34 . ASP . 11247 1 35 . GLY . 11247 1 36 . CYS . 11247 1 37 . GLU . 11247 1 38 . VAL . 11247 1 39 . THR . 11247 1 40 . VAL . 11247 1 41 . GLY . 11247 1 42 . ARG . 11247 1 43 . GLY . 11247 1 44 . PHE . 11247 1 45 . GLY . 11247 1 46 . VAL . 11247 1 47 . THR . 11247 1 48 . TYR . 11247 1 49 . GLN . 11247 1 50 . LEU . 11247 1 51 . VAL . 11247 1 52 . SER . 11247 1 53 . LYS . 11247 1 54 . ILE . 11247 1 55 . CYS . 11247 1 56 . PRO . 11247 1 57 . LEU . 11247 1 58 . MET . 11247 1 59 . ILE . 11247 1 60 . SER . 11247 1 61 . ARG . 11247 1 62 . ASN . 11247 1 63 . HIS . 11247 1 64 . CYS . 11247 1 65 . VAL . 11247 1 66 . LEU . 11247 1 67 . LYS . 11247 1 68 . GLN . 11247 1 69 . ASN . 11247 1 70 . PRO . 11247 1 71 . GLU . 11247 1 72 . GLY . 11247 1 73 . GLN . 11247 1 74 . TRP . 11247 1 75 . THR . 11247 1 76 . ILE . 11247 1 77 . MET . 11247 1 78 . ASP . 11247 1 79 . ASN . 11247 1 80 . LYS . 11247 1 81 . SER . 11247 1 82 . LEU . 11247 1 83 . ASN . 11247 1 84 . GLY . 11247 1 85 . VAL . 11247 1 86 . TRP . 11247 1 87 . LEU . 11247 1 88 . ASN . 11247 1 89 . ARG . 11247 1 90 . ALA . 11247 1 91 . ARG . 11247 1 92 . LEU . 11247 1 93 . GLU . 11247 1 94 . PRO . 11247 1 95 . LEU . 11247 1 96 . ARG . 11247 1 97 . VAL . 11247 1 98 . TYR . 11247 1 99 . SER . 11247 1 100 . ILE . 11247 1 101 . HIS . 11247 1 102 . GLN . 11247 1 103 . GLY . 11247 1 104 . ASP . 11247 1 105 . TYR . 11247 1 106 . ILE . 11247 1 107 . GLN . 11247 1 108 . LEU . 11247 1 109 . GLY . 11247 1 110 . VAL . 11247 1 111 . PRO . 11247 1 112 . LEU . 11247 1 113 . GLU . 11247 1 114 . ASN . 11247 1 115 . LYS . 11247 1 116 . GLU . 11247 1 117 . ASN . 11247 1 118 . ALA . 11247 1 119 . GLU . 11247 1 120 . TYR . 11247 1 121 . GLU . 11247 1 122 . TYR . 11247 1 123 . GLU . 11247 1 124 . VAL . 11247 1 125 . THR . 11247 1 126 . GLU . 11247 1 127 . GLU . 11247 1 128 . ASP . 11247 1 129 . TRP . 11247 1 130 . GLU . 11247 1 131 . THR . 11247 1 132 . ILE . 11247 1 133 . TYR . 11247 1 134 . PRO . 11247 1 135 . CYS . 11247 1 136 . LEU . 11247 1 137 . SER . 11247 1 138 . PRO . 11247 1 139 . LYS . 11247 1 140 . SER . 11247 1 141 . GLY . 11247 1 142 . PRO . 11247 1 143 . SER . 11247 1 144 . SER . 11247 1 145 . GLY . 11247 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11247 1 . SER 2 2 11247 1 . SER 3 3 11247 1 . GLY 4 4 11247 1 . SER 5 5 11247 1 . SER 6 6 11247 1 . GLY 7 7 11247 1 . VAL 8 8 11247 1 . THR 9 9 11247 1 . GLY 10 10 11247 1 . ASP 11 11 11247 1 . ARG 12 12 11247 1 . ALA 13 13 11247 1 . GLY 14 14 11247 1 . GLY 15 15 11247 1 . ARG 16 16 11247 1 . SER 17 17 11247 1 . TRP 18 18 11247 1 . CYS 19 19 11247 1 . LEU 20 20 11247 1 . ARG 21 21 11247 1 . ARG 22 22 11247 1 . VAL 23 23 11247 1 . GLY 24 24 11247 1 . MET 25 25 11247 1 . SER 26 26 11247 1 . ALA 27 27 11247 1 . GLY 28 28 11247 1 . TRP 29 29 11247 1 . LEU 30 30 11247 1 . LEU 31 31 11247 1 . LEU 32 32 11247 1 . GLU 33 33 11247 1 . ASP 34 34 11247 1 . GLY 35 35 11247 1 . CYS 36 36 11247 1 . GLU 37 37 11247 1 . VAL 38 38 11247 1 . THR 39 39 11247 1 . VAL 40 40 11247 1 . GLY 41 41 11247 1 . ARG 42 42 11247 1 . GLY 43 43 11247 1 . PHE 44 44 11247 1 . GLY 45 45 11247 1 . VAL 46 46 11247 1 . THR 47 47 11247 1 . TYR 48 48 11247 1 . GLN 49 49 11247 1 . LEU 50 50 11247 1 . VAL 51 51 11247 1 . SER 52 52 11247 1 . LYS 53 53 11247 1 . ILE 54 54 11247 1 . CYS 55 55 11247 1 . PRO 56 56 11247 1 . LEU 57 57 11247 1 . MET 58 58 11247 1 . ILE 59 59 11247 1 . SER 60 60 11247 1 . ARG 61 61 11247 1 . ASN 62 62 11247 1 . HIS 63 63 11247 1 . CYS 64 64 11247 1 . VAL 65 65 11247 1 . LEU 66 66 11247 1 . LYS 67 67 11247 1 . GLN 68 68 11247 1 . ASN 69 69 11247 1 . PRO 70 70 11247 1 . GLU 71 71 11247 1 . GLY 72 72 11247 1 . GLN 73 73 11247 1 . TRP 74 74 11247 1 . THR 75 75 11247 1 . ILE 76 76 11247 1 . MET 77 77 11247 1 . ASP 78 78 11247 1 . ASN 79 79 11247 1 . LYS 80 80 11247 1 . SER 81 81 11247 1 . LEU 82 82 11247 1 . ASN 83 83 11247 1 . GLY 84 84 11247 1 . VAL 85 85 11247 1 . TRP 86 86 11247 1 . LEU 87 87 11247 1 . ASN 88 88 11247 1 . ARG 89 89 11247 1 . ALA 90 90 11247 1 . ARG 91 91 11247 1 . LEU 92 92 11247 1 . GLU 93 93 11247 1 . PRO 94 94 11247 1 . LEU 95 95 11247 1 . ARG 96 96 11247 1 . VAL 97 97 11247 1 . TYR 98 98 11247 1 . SER 99 99 11247 1 . ILE 100 100 11247 1 . HIS 101 101 11247 1 . GLN 102 102 11247 1 . GLY 103 103 11247 1 . ASP 104 104 11247 1 . TYR 105 105 11247 1 . ILE 106 106 11247 1 . GLN 107 107 11247 1 . LEU 108 108 11247 1 . GLY 109 109 11247 1 . VAL 110 110 11247 1 . PRO 111 111 11247 1 . LEU 112 112 11247 1 . GLU 113 113 11247 1 . ASN 114 114 11247 1 . LYS 115 115 11247 1 . GLU 116 116 11247 1 . ASN 117 117 11247 1 . ALA 118 118 11247 1 . GLU 119 119 11247 1 . TYR 120 120 11247 1 . GLU 121 121 11247 1 . TYR 122 122 11247 1 . GLU 123 123 11247 1 . VAL 124 124 11247 1 . THR 125 125 11247 1 . GLU 126 126 11247 1 . GLU 127 127 11247 1 . ASP 128 128 11247 1 . TRP 129 129 11247 1 . GLU 130 130 11247 1 . THR 131 131 11247 1 . ILE 132 132 11247 1 . TYR 133 133 11247 1 . PRO 134 134 11247 1 . CYS 135 135 11247 1 . LEU 136 136 11247 1 . SER 137 137 11247 1 . PRO 138 138 11247 1 . LYS 139 139 11247 1 . SER 140 140 11247 1 . GLY 141 141 11247 1 . PRO 142 142 11247 1 . SER 143 143 11247 1 . SER 144 144 11247 1 . GLY 145 145 11247 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11247 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11247 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 11247 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040322-86 . . . . . . 11247 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11247 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1mM 13C,15N-labeled {protein;} 20mM {d-TrisHCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'FHA domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 11247 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11247 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11247 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11247 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11247 1 6 H2O . . . . . . solvent 90 . . % . . . . 11247 1 7 D2O . . . . . . solvent 10 . . % . . . . 11247 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11247 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11247 1 pH 7.0 0.05 pH 11247 1 pressure 1 0.001 atm 11247 1 temperature 298 0.1 K 11247 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11247 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11247 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11247 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11247 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11247 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11247 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11247 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11247 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11247 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11247 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9297 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11247 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11247 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11247 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11247 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11247 5 'structure solution' 11247 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 11247 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11247 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11247 _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 Varian INOVA . 800 . . . 11247 1 2 spectrometer_2 Varian INOVA . 900 . . . 11247 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 11247 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11247 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11247 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11247 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11247 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11247 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11247 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11247 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11247 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11247 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11247 1 2 $NMRPipe . . 11247 1 3 $NMRView . . 11247 1 4 $Kujira . . 11247 1 5 $CYANA . . 11247 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 7 7 GLY HA2 H 1 3.989 0.030 . 1 . . . . 7 GLY HA2 . 11247 1 2 . 1 1 7 7 GLY HA3 H 1 3.989 0.030 . 1 . . . . 7 GLY HA3 . 11247 1 3 . 1 1 7 7 GLY C C 13 174.144 0.300 . 1 . . . . 7 GLY C . 11247 1 4 . 1 1 7 7 GLY CA C 13 45.392 0.300 . 1 . . . . 7 GLY CA . 11247 1 5 . 1 1 8 8 VAL H H 1 8.056 0.030 . 1 . . . . 8 VAL H . 11247 1 6 . 1 1 8 8 VAL HA H 1 4.214 0.030 . 1 . . . . 8 VAL HA . 11247 1 7 . 1 1 8 8 VAL HB H 1 2.109 0.030 . 1 . . . . 8 VAL HB . 11247 1 8 . 1 1 8 8 VAL HG11 H 1 0.926 0.030 . 1 . . . . 8 VAL HG1 . 11247 1 9 . 1 1 8 8 VAL HG12 H 1 0.926 0.030 . 1 . . . . 8 VAL HG1 . 11247 1 10 . 1 1 8 8 VAL HG13 H 1 0.926 0.030 . 1 . . . . 8 VAL HG1 . 11247 1 11 . 1 1 8 8 VAL HG21 H 1 0.924 0.030 . 1 . . . . 8 VAL HG2 . 11247 1 12 . 1 1 8 8 VAL HG22 H 1 0.924 0.030 . 1 . . . . 8 VAL HG2 . 11247 1 13 . 1 1 8 8 VAL HG23 H 1 0.924 0.030 . 1 . . . . 8 VAL HG2 . 11247 1 14 . 1 1 8 8 VAL C C 13 176.558 0.300 . 1 . . . . 8 VAL C . 11247 1 15 . 1 1 8 8 VAL CA C 13 62.367 0.300 . 1 . . . . 8 VAL CA . 11247 1 16 . 1 1 8 8 VAL CB C 13 32.760 0.300 . 1 . . . . 8 VAL CB . 11247 1 17 . 1 1 8 8 VAL CG1 C 13 21.273 0.300 . 2 . . . . 8 VAL CG1 . 11247 1 18 . 1 1 8 8 VAL CG2 C 13 20.457 0.300 . 2 . . . . 8 VAL CG2 . 11247 1 19 . 1 1 8 8 VAL N N 15 119.238 0.300 . 1 . . . . 8 VAL N . 11247 1 20 . 1 1 9 9 THR H H 1 8.232 0.030 . 1 . . . . 9 THR H . 11247 1 21 . 1 1 9 9 THR HA H 1 4.354 0.030 . 1 . . . . 9 THR HA . 11247 1 22 . 1 1 9 9 THR HB H 1 4.229 0.030 . 1 . . . . 9 THR HB . 11247 1 23 . 1 1 9 9 THR HG21 H 1 1.194 0.030 . 1 . . . . 9 THR HG2 . 11247 1 24 . 1 1 9 9 THR HG22 H 1 1.194 0.030 . 1 . . . . 9 THR HG2 . 11247 1 25 . 1 1 9 9 THR HG23 H 1 1.194 0.030 . 1 . . . . 9 THR HG2 . 11247 1 26 . 1 1 9 9 THR C C 13 175.065 0.300 . 1 . . . . 9 THR C . 11247 1 27 . 1 1 9 9 THR CA C 13 62.001 0.300 . 1 . . . . 9 THR CA . 11247 1 28 . 1 1 9 9 THR CB C 13 69.891 0.300 . 1 . . . . 9 THR CB . 11247 1 29 . 1 1 9 9 THR CG2 C 13 21.676 0.300 . 1 . . . . 9 THR CG2 . 11247 1 30 . 1 1 9 9 THR N N 15 117.273 0.300 . 1 . . . . 9 THR N . 11247 1 31 . 1 1 10 10 GLY H H 1 8.349 0.030 . 1 . . . . 10 GLY H . 11247 1 32 . 1 1 10 10 GLY HA2 H 1 3.942 0.030 . 1 . . . . 10 GLY HA2 . 11247 1 33 . 1 1 10 10 GLY HA3 H 1 3.942 0.030 . 1 . . . . 10 GLY HA3 . 11247 1 34 . 1 1 10 10 GLY C C 13 173.899 0.300 . 1 . . . . 10 GLY C . 11247 1 35 . 1 1 10 10 GLY CA C 13 45.388 0.300 . 1 . . . . 10 GLY CA . 11247 1 36 . 1 1 10 10 GLY N N 15 111.054 0.300 . 1 . . . . 10 GLY N . 11247 1 37 . 1 1 11 11 ASP H H 1 8.251 0.030 . 1 . . . . 11 ASP H . 11247 1 38 . 1 1 11 11 ASP HA H 1 4.523 0.030 . 1 . . . . 11 ASP HA . 11247 1 39 . 1 1 11 11 ASP HB2 H 1 2.652 0.030 . 2 . . . . 11 ASP HB2 . 11247 1 40 . 1 1 11 11 ASP HB3 H 1 2.613 0.030 . 2 . . . . 11 ASP HB3 . 11247 1 41 . 1 1 11 11 ASP C C 13 176.282 0.300 . 1 . . . . 11 ASP C . 11247 1 42 . 1 1 11 11 ASP CA C 13 54.562 0.300 . 1 . . . . 11 ASP CA . 11247 1 43 . 1 1 11 11 ASP CB C 13 41.180 0.300 . 1 . . . . 11 ASP CB . 11247 1 44 . 1 1 11 11 ASP N N 15 120.594 0.300 . 1 . . . . 11 ASP N . 11247 1 45 . 1 1 12 12 ARG H H 1 8.138 0.030 . 1 . . . . 12 ARG H . 11247 1 46 . 1 1 12 12 ARG HA H 1 4.222 0.030 . 1 . . . . 12 ARG HA . 11247 1 47 . 1 1 12 12 ARG HB2 H 1 1.706 0.030 . 2 . . . . 12 ARG HB2 . 11247 1 48 . 1 1 12 12 ARG HB3 H 1 1.553 0.030 . 2 . . . . 12 ARG HB3 . 11247 1 49 . 1 1 12 12 ARG HD2 H 1 2.974 0.030 . 1 . . . . 12 ARG HD2 . 11247 1 50 . 1 1 12 12 ARG HD3 H 1 2.974 0.030 . 1 . . . . 12 ARG HD3 . 11247 1 51 . 1 1 12 12 ARG HE H 1 7.176 0.030 . 1 . . . . 12 ARG HE . 11247 1 52 . 1 1 12 12 ARG HG2 H 1 1.486 0.030 . 2 . . . . 12 ARG HG2 . 11247 1 53 . 1 1 12 12 ARG HG3 H 1 1.456 0.030 . 2 . . . . 12 ARG HG3 . 11247 1 54 . 1 1 12 12 ARG C C 13 175.886 0.300 . 1 . . . . 12 ARG C . 11247 1 55 . 1 1 12 12 ARG CA C 13 55.905 0.300 . 1 . . . . 12 ARG CA . 11247 1 56 . 1 1 12 12 ARG CB C 13 30.605 0.300 . 1 . . . . 12 ARG CB . 11247 1 57 . 1 1 12 12 ARG CD C 13 43.259 0.300 . 1 . . . . 12 ARG CD . 11247 1 58 . 1 1 12 12 ARG CG C 13 26.894 0.300 . 1 . . . . 12 ARG CG . 11247 1 59 . 1 1 12 12 ARG N N 15 120.905 0.300 . 1 . . . . 12 ARG N . 11247 1 60 . 1 1 12 12 ARG NE N 15 83.108 0.300 . 1 . . . . 12 ARG NE . 11247 1 61 . 1 1 13 13 ALA H H 1 8.182 0.030 . 1 . . . . 13 ALA H . 11247 1 62 . 1 1 13 13 ALA HA H 1 4.231 0.030 . 1 . . . . 13 ALA HA . 11247 1 63 . 1 1 13 13 ALA HB1 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11247 1 64 . 1 1 13 13 ALA HB2 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11247 1 65 . 1 1 13 13 ALA HB3 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11247 1 66 . 1 1 13 13 ALA C C 13 178.110 0.300 . 1 . . . . 13 ALA C . 11247 1 67 . 1 1 13 13 ALA CA C 13 52.751 0.300 . 1 . . . . 13 ALA CA . 11247 1 68 . 1 1 13 13 ALA CB C 13 19.132 0.300 . 1 . . . . 13 ALA CB . 11247 1 69 . 1 1 13 13 ALA N N 15 124.865 0.300 . 1 . . . . 13 ALA N . 11247 1 70 . 1 1 14 14 GLY H H 1 8.282 0.030 . 1 . . . . 14 GLY H . 11247 1 71 . 1 1 14 14 GLY HA2 H 1 3.893 0.030 . 1 . . . . 14 GLY HA2 . 11247 1 72 . 1 1 14 14 GLY HA3 H 1 3.893 0.030 . 1 . . . . 14 GLY HA3 . 11247 1 73 . 1 1 14 14 GLY C C 13 174.457 0.300 . 1 . . . . 14 GLY C . 11247 1 74 . 1 1 14 14 GLY CA C 13 45.359 0.300 . 1 . . . . 14 GLY CA . 11247 1 75 . 1 1 14 14 GLY N N 15 108.538 0.300 . 1 . . . . 14 GLY N . 11247 1 76 . 1 1 15 15 GLY H H 1 8.290 0.030 . 1 . . . . 15 GLY H . 11247 1 77 . 1 1 15 15 GLY HA2 H 1 4.120 0.030 . 2 . . . . 15 GLY HA2 . 11247 1 78 . 1 1 15 15 GLY HA3 H 1 4.015 0.030 . 2 . . . . 15 GLY HA3 . 11247 1 79 . 1 1 15 15 GLY C C 13 173.670 0.300 . 1 . . . . 15 GLY C . 11247 1 80 . 1 1 15 15 GLY CA C 13 45.204 0.300 . 1 . . . . 15 GLY CA . 11247 1 81 . 1 1 15 15 GLY N N 15 108.522 0.300 . 1 . . . . 15 GLY N . 11247 1 82 . 1 1 16 16 ARG H H 1 8.316 0.030 . 1 . . . . 16 ARG H . 11247 1 83 . 1 1 16 16 ARG HA H 1 4.999 0.030 . 1 . . . . 16 ARG HA . 11247 1 84 . 1 1 16 16 ARG HB2 H 1 1.583 0.030 . 1 . . . . 16 ARG HB2 . 11247 1 85 . 1 1 16 16 ARG HB3 H 1 1.583 0.030 . 1 . . . . 16 ARG HB3 . 11247 1 86 . 1 1 16 16 ARG HD2 H 1 3.179 0.030 . 2 . . . . 16 ARG HD2 . 11247 1 87 . 1 1 16 16 ARG HD3 H 1 2.976 0.030 . 2 . . . . 16 ARG HD3 . 11247 1 88 . 1 1 16 16 ARG HE H 1 7.173 0.030 . 1 . . . . 16 ARG HE . 11247 1 89 . 1 1 16 16 ARG HG2 H 1 1.599 0.030 . 2 . . . . 16 ARG HG2 . 11247 1 90 . 1 1 16 16 ARG HG3 H 1 1.547 0.030 . 2 . . . . 16 ARG HG3 . 11247 1 91 . 1 1 16 16 ARG C C 13 176.255 0.300 . 1 . . . . 16 ARG C . 11247 1 92 . 1 1 16 16 ARG CA C 13 55.546 0.300 . 1 . . . . 16 ARG CA . 11247 1 93 . 1 1 16 16 ARG CB C 13 33.212 0.300 . 1 . . . . 16 ARG CB . 11247 1 94 . 1 1 16 16 ARG CD C 13 43.423 0.300 . 1 . . . . 16 ARG CD . 11247 1 95 . 1 1 16 16 ARG CG C 13 27.575 0.300 . 1 . . . . 16 ARG CG . 11247 1 96 . 1 1 16 16 ARG N N 15 120.516 0.300 . 1 . . . . 16 ARG N . 11247 1 97 . 1 1 17 17 SER H H 1 8.752 0.030 . 1 . . . . 17 SER H . 11247 1 98 . 1 1 17 17 SER HA H 1 5.006 0.030 . 1 . . . . 17 SER HA . 11247 1 99 . 1 1 17 17 SER HB2 H 1 3.648 0.030 . 2 . . . . 17 SER HB2 . 11247 1 100 . 1 1 17 17 SER HB3 H 1 3.555 0.030 . 2 . . . . 17 SER HB3 . 11247 1 101 . 1 1 17 17 SER C C 13 173.332 0.300 . 1 . . . . 17 SER C . 11247 1 102 . 1 1 17 17 SER CA C 13 58.090 0.300 . 1 . . . . 17 SER CA . 11247 1 103 . 1 1 17 17 SER CB C 13 66.704 0.300 . 1 . . . . 17 SER CB . 11247 1 104 . 1 1 17 17 SER N N 15 114.944 0.300 . 1 . . . . 17 SER N . 11247 1 105 . 1 1 18 18 TRP H H 1 9.036 0.030 . 1 . . . . 18 TRP H . 11247 1 106 . 1 1 18 18 TRP HA H 1 5.058 0.030 . 1 . . . . 18 TRP HA . 11247 1 107 . 1 1 18 18 TRP HB2 H 1 2.997 0.030 . 2 . . . . 18 TRP HB2 . 11247 1 108 . 1 1 18 18 TRP HB3 H 1 2.706 0.030 . 2 . . . . 18 TRP HB3 . 11247 1 109 . 1 1 18 18 TRP HD1 H 1 7.794 0.030 . 1 . . . . 18 TRP HD1 . 11247 1 110 . 1 1 18 18 TRP HE1 H 1 10.220 0.030 . 1 . . . . 18 TRP HE1 . 11247 1 111 . 1 1 18 18 TRP HE3 H 1 7.128 0.030 . 1 . . . . 18 TRP HE3 . 11247 1 112 . 1 1 18 18 TRP HH2 H 1 7.419 0.030 . 1 . . . . 18 TRP HH2 . 11247 1 113 . 1 1 18 18 TRP HZ2 H 1 7.684 0.030 . 1 . . . . 18 TRP HZ2 . 11247 1 114 . 1 1 18 18 TRP HZ3 H 1 6.645 0.030 . 1 . . . . 18 TRP HZ3 . 11247 1 115 . 1 1 18 18 TRP C C 13 176.542 0.300 . 1 . . . . 18 TRP C . 11247 1 116 . 1 1 18 18 TRP CA C 13 58.512 0.300 . 1 . . . . 18 TRP CA . 11247 1 117 . 1 1 18 18 TRP CB C 13 29.649 0.300 . 1 . . . . 18 TRP CB . 11247 1 118 . 1 1 18 18 TRP CD1 C 13 127.192 0.300 . 1 . . . . 18 TRP CD1 . 11247 1 119 . 1 1 18 18 TRP CE3 C 13 119.912 0.300 . 1 . . . . 18 TRP CE3 . 11247 1 120 . 1 1 18 18 TRP CH2 C 13 123.977 0.300 . 1 . . . . 18 TRP CH2 . 11247 1 121 . 1 1 18 18 TRP CZ2 C 13 115.112 0.300 . 1 . . . . 18 TRP CZ2 . 11247 1 122 . 1 1 18 18 TRP CZ3 C 13 120.386 0.300 . 1 . . . . 18 TRP CZ3 . 11247 1 123 . 1 1 18 18 TRP N N 15 125.121 0.300 . 1 . . . . 18 TRP N . 11247 1 124 . 1 1 18 18 TRP NE1 N 15 129.893 0.300 . 1 . . . . 18 TRP NE1 . 11247 1 125 . 1 1 19 19 CYS H H 1 9.306 0.030 . 1 . . . . 19 CYS H . 11247 1 126 . 1 1 19 19 CYS HA H 1 4.882 0.030 . 1 . . . . 19 CYS HA . 11247 1 127 . 1 1 19 19 CYS HB2 H 1 2.883 0.030 . 2 . . . . 19 CYS HB2 . 11247 1 128 . 1 1 19 19 CYS HB3 H 1 2.648 0.030 . 2 . . . . 19 CYS HB3 . 11247 1 129 . 1 1 19 19 CYS C C 13 170.699 0.300 . 1 . . . . 19 CYS C . 11247 1 130 . 1 1 19 19 CYS CA C 13 56.564 0.300 . 1 . . . . 19 CYS CA . 11247 1 131 . 1 1 19 19 CYS CB C 13 30.673 0.300 . 1 . . . . 19 CYS CB . 11247 1 132 . 1 1 19 19 CYS N N 15 116.565 0.300 . 1 . . . . 19 CYS N . 11247 1 133 . 1 1 20 20 LEU H H 1 8.939 0.030 . 1 . . . . 20 LEU H . 11247 1 134 . 1 1 20 20 LEU HA H 1 4.601 0.030 . 1 . . . . 20 LEU HA . 11247 1 135 . 1 1 20 20 LEU HB2 H 1 1.327 0.030 . 2 . . . . 20 LEU HB2 . 11247 1 136 . 1 1 20 20 LEU HB3 H 1 0.933 0.030 . 2 . . . . 20 LEU HB3 . 11247 1 137 . 1 1 20 20 LEU HD11 H 1 0.328 0.030 . 1 . . . . 20 LEU HD1 . 11247 1 138 . 1 1 20 20 LEU HD12 H 1 0.328 0.030 . 1 . . . . 20 LEU HD1 . 11247 1 139 . 1 1 20 20 LEU HD13 H 1 0.328 0.030 . 1 . . . . 20 LEU HD1 . 11247 1 140 . 1 1 20 20 LEU HD21 H 1 0.444 0.030 . 1 . . . . 20 LEU HD2 . 11247 1 141 . 1 1 20 20 LEU HD22 H 1 0.444 0.030 . 1 . . . . 20 LEU HD2 . 11247 1 142 . 1 1 20 20 LEU HD23 H 1 0.444 0.030 . 1 . . . . 20 LEU HD2 . 11247 1 143 . 1 1 20 20 LEU HG H 1 1.244 0.030 . 1 . . . . 20 LEU HG . 11247 1 144 . 1 1 20 20 LEU C C 13 174.964 0.300 . 1 . . . . 20 LEU C . 11247 1 145 . 1 1 20 20 LEU CA C 13 53.031 0.300 . 1 . . . . 20 LEU CA . 11247 1 146 . 1 1 20 20 LEU CB C 13 40.666 0.300 . 1 . . . . 20 LEU CB . 11247 1 147 . 1 1 20 20 LEU CD1 C 13 24.688 0.300 . 2 . . . . 20 LEU CD1 . 11247 1 148 . 1 1 20 20 LEU CD2 C 13 25.075 0.300 . 2 . . . . 20 LEU CD2 . 11247 1 149 . 1 1 20 20 LEU CG C 13 27.012 0.300 . 1 . . . . 20 LEU CG . 11247 1 150 . 1 1 20 20 LEU N N 15 120.808 0.300 . 1 . . . . 20 LEU N . 11247 1 151 . 1 1 21 21 ARG H H 1 9.054 0.030 . 1 . . . . 21 ARG H . 11247 1 152 . 1 1 21 21 ARG HA H 1 2.825 0.030 . 1 . . . . 21 ARG HA . 11247 1 153 . 1 1 21 21 ARG HB2 H 1 1.365 0.030 . 2 . . . . 21 ARG HB2 . 11247 1 154 . 1 1 21 21 ARG HB3 H 1 0.408 0.030 . 2 . . . . 21 ARG HB3 . 11247 1 155 . 1 1 21 21 ARG HD2 H 1 2.737 0.030 . 2 . . . . 21 ARG HD2 . 11247 1 156 . 1 1 21 21 ARG HD3 H 1 2.500 0.030 . 2 . . . . 21 ARG HD3 . 11247 1 157 . 1 1 21 21 ARG HE H 1 7.073 0.030 . 1 . . . . 21 ARG HE . 11247 1 158 . 1 1 21 21 ARG HG2 H 1 0.347 0.030 . 2 . . . . 21 ARG HG2 . 11247 1 159 . 1 1 21 21 ARG HG3 H 1 -0.260 0.030 . 2 . . . . 21 ARG HG3 . 11247 1 160 . 1 1 21 21 ARG C C 13 175.383 0.300 . 1 . . . . 21 ARG C . 11247 1 161 . 1 1 21 21 ARG CA C 13 54.793 0.300 . 1 . . . . 21 ARG CA . 11247 1 162 . 1 1 21 21 ARG CB C 13 31.205 0.300 . 1 . . . . 21 ARG CB . 11247 1 163 . 1 1 21 21 ARG CD C 13 43.983 0.300 . 1 . . . . 21 ARG CD . 11247 1 164 . 1 1 21 21 ARG CG C 13 25.422 0.300 . 1 . . . . 21 ARG CG . 11247 1 165 . 1 1 21 21 ARG N N 15 127.091 0.300 . 1 . . . . 21 ARG N . 11247 1 166 . 1 1 21 21 ARG NE N 15 84.067 0.300 . 1 . . . . 21 ARG NE . 11247 1 167 . 1 1 22 22 ARG H H 1 5.992 0.030 . 1 . . . . 22 ARG H . 11247 1 168 . 1 1 22 22 ARG HA H 1 4.096 0.030 . 1 . . . . 22 ARG HA . 11247 1 169 . 1 1 22 22 ARG HB2 H 1 2.460 0.030 . 2 . . . . 22 ARG HB2 . 11247 1 170 . 1 1 22 22 ARG HB3 H 1 1.677 0.030 . 2 . . . . 22 ARG HB3 . 11247 1 171 . 1 1 22 22 ARG HD2 H 1 3.086 0.030 . 2 . . . . 22 ARG HD2 . 11247 1 172 . 1 1 22 22 ARG HD3 H 1 2.978 0.030 . 2 . . . . 22 ARG HD3 . 11247 1 173 . 1 1 22 22 ARG HE H 1 7.841 0.030 . 1 . . . . 22 ARG HE . 11247 1 174 . 1 1 22 22 ARG HG2 H 1 1.270 0.030 . 2 . . . . 22 ARG HG2 . 11247 1 175 . 1 1 22 22 ARG HG3 H 1 2.152 0.030 . 2 . . . . 22 ARG HG3 . 11247 1 176 . 1 1 22 22 ARG C C 13 174.974 0.300 . 1 . . . . 22 ARG C . 11247 1 177 . 1 1 22 22 ARG CA C 13 55.593 0.300 . 1 . . . . 22 ARG CA . 11247 1 178 . 1 1 22 22 ARG CB C 13 30.374 0.300 . 1 . . . . 22 ARG CB . 11247 1 179 . 1 1 22 22 ARG CD C 13 42.839 0.300 . 1 . . . . 22 ARG CD . 11247 1 180 . 1 1 22 22 ARG CG C 13 27.112 0.300 . 1 . . . . 22 ARG CG . 11247 1 181 . 1 1 22 22 ARG N N 15 130.395 0.300 . 1 . . . . 22 ARG N . 11247 1 182 . 1 1 22 22 ARG NE N 15 86.308 0.300 . 1 . . . . 22 ARG NE . 11247 1 183 . 1 1 23 23 VAL H H 1 8.324 0.030 . 1 . . . . 23 VAL H . 11247 1 184 . 1 1 23 23 VAL HA H 1 3.499 0.030 . 1 . . . . 23 VAL HA . 11247 1 185 . 1 1 23 23 VAL HB H 1 1.710 0.030 . 1 . . . . 23 VAL HB . 11247 1 186 . 1 1 23 23 VAL HG11 H 1 0.875 0.030 . 1 . . . . 23 VAL HG1 . 11247 1 187 . 1 1 23 23 VAL HG12 H 1 0.875 0.030 . 1 . . . . 23 VAL HG1 . 11247 1 188 . 1 1 23 23 VAL HG13 H 1 0.875 0.030 . 1 . . . . 23 VAL HG1 . 11247 1 189 . 1 1 23 23 VAL HG21 H 1 0.824 0.030 . 1 . . . . 23 VAL HG2 . 11247 1 190 . 1 1 23 23 VAL HG22 H 1 0.824 0.030 . 1 . . . . 23 VAL HG2 . 11247 1 191 . 1 1 23 23 VAL HG23 H 1 0.824 0.030 . 1 . . . . 23 VAL HG2 . 11247 1 192 . 1 1 23 23 VAL C C 13 178.303 0.300 . 1 . . . . 23 VAL C . 11247 1 193 . 1 1 23 23 VAL CA C 13 65.305 0.300 . 1 . . . . 23 VAL CA . 11247 1 194 . 1 1 23 23 VAL CB C 13 31.810 0.300 . 1 . . . . 23 VAL CB . 11247 1 195 . 1 1 23 23 VAL CG1 C 13 20.673 0.300 . 2 . . . . 23 VAL CG1 . 11247 1 196 . 1 1 23 23 VAL CG2 C 13 22.173 0.300 . 2 . . . . 23 VAL CG2 . 11247 1 197 . 1 1 23 23 VAL N N 15 131.410 0.300 . 1 . . . . 23 VAL N . 11247 1 198 . 1 1 24 24 GLY H H 1 8.748 0.030 . 1 . . . . 24 GLY H . 11247 1 199 . 1 1 24 24 GLY HA2 H 1 4.117 0.030 . 2 . . . . 24 GLY HA2 . 11247 1 200 . 1 1 24 24 GLY HA3 H 1 3.772 0.030 . 2 . . . . 24 GLY HA3 . 11247 1 201 . 1 1 24 24 GLY C C 13 173.757 0.300 . 1 . . . . 24 GLY C . 11247 1 202 . 1 1 24 24 GLY CA C 13 45.526 0.300 . 1 . . . . 24 GLY CA . 11247 1 203 . 1 1 24 24 GLY N N 15 114.581 0.300 . 1 . . . . 24 GLY N . 11247 1 204 . 1 1 25 25 MET H H 1 7.649 0.030 . 1 . . . . 25 MET H . 11247 1 205 . 1 1 25 25 MET HA H 1 4.982 0.030 . 1 . . . . 25 MET HA . 11247 1 206 . 1 1 25 25 MET HB2 H 1 2.306 0.030 . 2 . . . . 25 MET HB2 . 11247 1 207 . 1 1 25 25 MET HB3 H 1 1.928 0.030 . 2 . . . . 25 MET HB3 . 11247 1 208 . 1 1 25 25 MET HE1 H 1 2.044 0.030 . 1 . . . . 25 MET HE . 11247 1 209 . 1 1 25 25 MET HE2 H 1 2.044 0.030 . 1 . . . . 25 MET HE . 11247 1 210 . 1 1 25 25 MET HE3 H 1 2.044 0.030 . 1 . . . . 25 MET HE . 11247 1 211 . 1 1 25 25 MET HG2 H 1 2.575 0.030 . 2 . . . . 25 MET HG2 . 11247 1 212 . 1 1 25 25 MET HG3 H 1 2.474 0.030 . 2 . . . . 25 MET HG3 . 11247 1 213 . 1 1 25 25 MET C C 13 175.697 0.300 . 1 . . . . 25 MET C . 11247 1 214 . 1 1 25 25 MET CA C 13 55.076 0.300 . 1 . . . . 25 MET CA . 11247 1 215 . 1 1 25 25 MET CB C 13 37.604 0.300 . 1 . . . . 25 MET CB . 11247 1 216 . 1 1 25 25 MET CE C 13 17.207 0.300 . 1 . . . . 25 MET CE . 11247 1 217 . 1 1 25 25 MET CG C 13 31.688 0.300 . 1 . . . . 25 MET CG . 11247 1 218 . 1 1 25 25 MET N N 15 115.701 0.300 . 1 . . . . 25 MET N . 11247 1 219 . 1 1 26 26 SER HA H 1 4.808 0.030 . 1 . . . . 26 SER HA . 11247 1 220 . 1 1 26 26 SER HB2 H 1 3.993 0.030 . 2 . . . . 26 SER HB2 . 11247 1 221 . 1 1 26 26 SER HB3 H 1 3.884 0.030 . 2 . . . . 26 SER HB3 . 11247 1 222 . 1 1 26 26 SER C C 13 171.752 0.300 . 1 . . . . 26 SER C . 11247 1 223 . 1 1 26 26 SER CA C 13 56.785 0.300 . 1 . . . . 26 SER CA . 11247 1 224 . 1 1 26 26 SER CB C 13 62.312 0.300 . 1 . . . . 26 SER CB . 11247 1 225 . 1 1 27 27 ALA H H 1 7.391 0.030 . 1 . . . . 27 ALA H . 11247 1 226 . 1 1 27 27 ALA HA H 1 4.490 0.030 . 1 . . . . 27 ALA HA . 11247 1 227 . 1 1 27 27 ALA HB1 H 1 1.310 0.030 . 1 . . . . 27 ALA HB . 11247 1 228 . 1 1 27 27 ALA HB2 H 1 1.310 0.030 . 1 . . . . 27 ALA HB . 11247 1 229 . 1 1 27 27 ALA HB3 H 1 1.310 0.030 . 1 . . . . 27 ALA HB . 11247 1 230 . 1 1 27 27 ALA C C 13 176.899 0.300 . 1 . . . . 27 ALA C . 11247 1 231 . 1 1 27 27 ALA CA C 13 51.061 0.300 . 1 . . . . 27 ALA CA . 11247 1 232 . 1 1 27 27 ALA CB C 13 21.934 0.300 . 1 . . . . 27 ALA CB . 11247 1 233 . 1 1 27 27 ALA N N 15 120.495 0.300 . 1 . . . . 27 ALA N . 11247 1 234 . 1 1 28 28 GLY H H 1 8.382 0.030 . 1 . . . . 28 GLY H . 11247 1 235 . 1 1 28 28 GLY HA2 H 1 4.178 0.030 . 2 . . . . 28 GLY HA2 . 11247 1 236 . 1 1 28 28 GLY HA3 H 1 3.945 0.030 . 2 . . . . 28 GLY HA3 . 11247 1 237 . 1 1 28 28 GLY C C 13 175.708 0.300 . 1 . . . . 28 GLY C . 11247 1 238 . 1 1 28 28 GLY CA C 13 46.371 0.300 . 1 . . . . 28 GLY CA . 11247 1 239 . 1 1 28 28 GLY N N 15 104.563 0.300 . 1 . . . . 28 GLY N . 11247 1 240 . 1 1 29 29 TRP H H 1 9.065 0.030 . 1 . . . . 29 TRP H . 11247 1 241 . 1 1 29 29 TRP HA H 1 5.136 0.030 . 1 . . . . 29 TRP HA . 11247 1 242 . 1 1 29 29 TRP HB2 H 1 2.993 0.030 . 2 . . . . 29 TRP HB2 . 11247 1 243 . 1 1 29 29 TRP HB3 H 1 2.632 0.030 . 2 . . . . 29 TRP HB3 . 11247 1 244 . 1 1 29 29 TRP HD1 H 1 7.383 0.030 . 1 . . . . 29 TRP HD1 . 11247 1 245 . 1 1 29 29 TRP HE1 H 1 10.492 0.030 . 1 . . . . 29 TRP HE1 . 11247 1 246 . 1 1 29 29 TRP HE3 H 1 7.264 0.030 . 1 . . . . 29 TRP HE3 . 11247 1 247 . 1 1 29 29 TRP HH2 H 1 7.069 0.030 . 1 . . . . 29 TRP HH2 . 11247 1 248 . 1 1 29 29 TRP HZ2 H 1 7.556 0.030 . 1 . . . . 29 TRP HZ2 . 11247 1 249 . 1 1 29 29 TRP HZ3 H 1 6.671 0.030 . 1 . . . . 29 TRP HZ3 . 11247 1 250 . 1 1 29 29 TRP C C 13 175.361 0.300 . 1 . . . . 29 TRP C . 11247 1 251 . 1 1 29 29 TRP CA C 13 56.758 0.300 . 1 . . . . 29 TRP CA . 11247 1 252 . 1 1 29 29 TRP CB C 13 28.605 0.300 . 1 . . . . 29 TRP CB . 11247 1 253 . 1 1 29 29 TRP CD1 C 13 124.502 0.300 . 1 . . . . 29 TRP CD1 . 11247 1 254 . 1 1 29 29 TRP CE3 C 13 120.430 0.300 . 1 . . . . 29 TRP CE3 . 11247 1 255 . 1 1 29 29 TRP CH2 C 13 125.381 0.300 . 1 . . . . 29 TRP CH2 . 11247 1 256 . 1 1 29 29 TRP CZ2 C 13 116.142 0.300 . 1 . . . . 29 TRP CZ2 . 11247 1 257 . 1 1 29 29 TRP CZ3 C 13 121.840 0.300 . 1 . . . . 29 TRP CZ3 . 11247 1 258 . 1 1 29 29 TRP N N 15 121.232 0.300 . 1 . . . . 29 TRP N . 11247 1 259 . 1 1 29 29 TRP NE1 N 15 127.838 0.300 . 1 . . . . 29 TRP NE1 . 11247 1 260 . 1 1 30 30 LEU H H 1 8.766 0.030 . 1 . . . . 30 LEU H . 11247 1 261 . 1 1 30 30 LEU HA H 1 4.103 0.030 . 1 . . . . 30 LEU HA . 11247 1 262 . 1 1 30 30 LEU HB2 H 1 1.275 0.030 . 2 . . . . 30 LEU HB2 . 11247 1 263 . 1 1 30 30 LEU HB3 H 1 0.501 0.030 . 2 . . . . 30 LEU HB3 . 11247 1 264 . 1 1 30 30 LEU HD11 H 1 0.150 0.030 . 1 . . . . 30 LEU HD1 . 11247 1 265 . 1 1 30 30 LEU HD12 H 1 0.150 0.030 . 1 . . . . 30 LEU HD1 . 11247 1 266 . 1 1 30 30 LEU HD13 H 1 0.150 0.030 . 1 . . . . 30 LEU HD1 . 11247 1 267 . 1 1 30 30 LEU HD21 H 1 -0.052 0.030 . 1 . . . . 30 LEU HD2 . 11247 1 268 . 1 1 30 30 LEU HD22 H 1 -0.052 0.030 . 1 . . . . 30 LEU HD2 . 11247 1 269 . 1 1 30 30 LEU HD23 H 1 -0.052 0.030 . 1 . . . . 30 LEU HD2 . 11247 1 270 . 1 1 30 30 LEU HG H 1 1.372 0.030 . 1 . . . . 30 LEU HG . 11247 1 271 . 1 1 30 30 LEU C C 13 175.587 0.300 . 1 . . . . 30 LEU C . 11247 1 272 . 1 1 30 30 LEU CA C 13 53.109 0.300 . 1 . . . . 30 LEU CA . 11247 1 273 . 1 1 30 30 LEU CB C 13 41.121 0.300 . 1 . . . . 30 LEU CB . 11247 1 274 . 1 1 30 30 LEU CD1 C 13 23.833 0.300 . 2 . . . . 30 LEU CD1 . 11247 1 275 . 1 1 30 30 LEU CD2 C 13 20.705 0.300 . 2 . . . . 30 LEU CD2 . 11247 1 276 . 1 1 30 30 LEU CG C 13 25.648 0.300 . 1 . . . . 30 LEU CG . 11247 1 277 . 1 1 30 30 LEU N N 15 119.778 0.300 . 1 . . . . 30 LEU N . 11247 1 278 . 1 1 31 31 LEU H H 1 7.863 0.030 . 1 . . . . 31 LEU H . 11247 1 279 . 1 1 31 31 LEU HA H 1 4.117 0.030 . 1 . . . . 31 LEU HA . 11247 1 280 . 1 1 31 31 LEU HB2 H 1 2.159 0.030 . 2 . . . . 31 LEU HB2 . 11247 1 281 . 1 1 31 31 LEU HB3 H 1 1.607 0.030 . 2 . . . . 31 LEU HB3 . 11247 1 282 . 1 1 31 31 LEU HD11 H 1 1.194 0.030 . 1 . . . . 31 LEU HD1 . 11247 1 283 . 1 1 31 31 LEU HD12 H 1 1.194 0.030 . 1 . . . . 31 LEU HD1 . 11247 1 284 . 1 1 31 31 LEU HD13 H 1 1.194 0.030 . 1 . . . . 31 LEU HD1 . 11247 1 285 . 1 1 31 31 LEU HD21 H 1 1.179 0.030 . 1 . . . . 31 LEU HD2 . 11247 1 286 . 1 1 31 31 LEU HD22 H 1 1.179 0.030 . 1 . . . . 31 LEU HD2 . 11247 1 287 . 1 1 31 31 LEU HD23 H 1 1.179 0.030 . 1 . . . . 31 LEU HD2 . 11247 1 288 . 1 1 31 31 LEU HG H 1 1.506 0.030 . 1 . . . . 31 LEU HG . 11247 1 289 . 1 1 31 31 LEU C C 13 175.764 0.300 . 1 . . . . 31 LEU C . 11247 1 290 . 1 1 31 31 LEU CA C 13 55.593 0.300 . 1 . . . . 31 LEU CA . 11247 1 291 . 1 1 31 31 LEU CB C 13 43.614 0.300 . 1 . . . . 31 LEU CB . 11247 1 292 . 1 1 31 31 LEU CD1 C 13 26.503 0.300 . 2 . . . . 31 LEU CD1 . 11247 1 293 . 1 1 31 31 LEU CD2 C 13 23.954 0.300 . 2 . . . . 31 LEU CD2 . 11247 1 294 . 1 1 31 31 LEU CG C 13 27.279 0.300 . 1 . . . . 31 LEU CG . 11247 1 295 . 1 1 31 31 LEU N N 15 124.960 0.300 . 1 . . . . 31 LEU N . 11247 1 296 . 1 1 32 32 LEU H H 1 7.602 0.030 . 1 . . . . 32 LEU H . 11247 1 297 . 1 1 32 32 LEU HA H 1 4.057 0.030 . 1 . . . . 32 LEU HA . 11247 1 298 . 1 1 32 32 LEU HB2 H 1 0.848 0.030 . 2 . . . . 32 LEU HB2 . 11247 1 299 . 1 1 32 32 LEU HB3 H 1 -1.255 0.030 . 2 . . . . 32 LEU HB3 . 11247 1 300 . 1 1 32 32 LEU HD11 H 1 -0.011 0.030 . 1 . . . . 32 LEU HD1 . 11247 1 301 . 1 1 32 32 LEU HD12 H 1 -0.011 0.030 . 1 . . . . 32 LEU HD1 . 11247 1 302 . 1 1 32 32 LEU HD13 H 1 -0.011 0.030 . 1 . . . . 32 LEU HD1 . 11247 1 303 . 1 1 32 32 LEU HD21 H 1 0.208 0.030 . 1 . . . . 32 LEU HD2 . 11247 1 304 . 1 1 32 32 LEU HD22 H 1 0.208 0.030 . 1 . . . . 32 LEU HD2 . 11247 1 305 . 1 1 32 32 LEU HD23 H 1 0.208 0.030 . 1 . . . . 32 LEU HD2 . 11247 1 306 . 1 1 32 32 LEU HG H 1 0.904 0.030 . 1 . . . . 32 LEU HG . 11247 1 307 . 1 1 32 32 LEU C C 13 173.090 0.300 . 1 . . . . 32 LEU C . 11247 1 308 . 1 1 32 32 LEU CA C 13 52.537 0.300 . 1 . . . . 32 LEU CA . 11247 1 309 . 1 1 32 32 LEU CB C 13 36.610 0.300 . 1 . . . . 32 LEU CB . 11247 1 310 . 1 1 32 32 LEU CD1 C 13 24.156 0.300 . 2 . . . . 32 LEU CD1 . 11247 1 311 . 1 1 32 32 LEU CD2 C 13 22.914 0.300 . 2 . . . . 32 LEU CD2 . 11247 1 312 . 1 1 32 32 LEU CG C 13 25.903 0.300 . 1 . . . . 32 LEU CG . 11247 1 313 . 1 1 32 32 LEU N N 15 128.239 0.300 . 1 . . . . 32 LEU N . 11247 1 314 . 1 1 33 33 GLU H H 1 6.821 0.030 . 1 . . . . 33 GLU H . 11247 1 315 . 1 1 33 33 GLU HA H 1 4.255 0.030 . 1 . . . . 33 GLU HA . 11247 1 316 . 1 1 33 33 GLU HB2 H 1 2.110 0.030 . 2 . . . . 33 GLU HB2 . 11247 1 317 . 1 1 33 33 GLU HB3 H 1 1.954 0.030 . 2 . . . . 33 GLU HB3 . 11247 1 318 . 1 1 33 33 GLU HG2 H 1 2.381 0.030 . 2 . . . . 33 GLU HG2 . 11247 1 319 . 1 1 33 33 GLU HG3 H 1 2.320 0.030 . 2 . . . . 33 GLU HG3 . 11247 1 320 . 1 1 33 33 GLU C C 13 175.421 0.300 . 1 . . . . 33 GLU C . 11247 1 321 . 1 1 33 33 GLU CA C 13 56.566 0.300 . 1 . . . . 33 GLU CA . 11247 1 322 . 1 1 33 33 GLU CB C 13 31.098 0.300 . 1 . . . . 33 GLU CB . 11247 1 323 . 1 1 33 33 GLU CG C 13 37.261 0.300 . 1 . . . . 33 GLU CG . 11247 1 324 . 1 1 33 33 GLU N N 15 123.562 0.300 . 1 . . . . 33 GLU N . 11247 1 325 . 1 1 34 34 ASP H H 1 8.833 0.030 . 1 . . . . 34 ASP H . 11247 1 326 . 1 1 34 34 ASP HA H 1 4.565 0.030 . 1 . . . . 34 ASP HA . 11247 1 327 . 1 1 34 34 ASP HB2 H 1 2.906 0.030 . 2 . . . . 34 ASP HB2 . 11247 1 328 . 1 1 34 34 ASP HB3 H 1 2.729 0.030 . 2 . . . . 34 ASP HB3 . 11247 1 329 . 1 1 34 34 ASP C C 13 177.413 0.300 . 1 . . . . 34 ASP C . 11247 1 330 . 1 1 34 34 ASP CA C 13 57.048 0.300 . 1 . . . . 34 ASP CA . 11247 1 331 . 1 1 34 34 ASP CB C 13 42.215 0.300 . 1 . . . . 34 ASP CB . 11247 1 332 . 1 1 34 34 ASP N N 15 124.913 0.300 . 1 . . . . 34 ASP N . 11247 1 333 . 1 1 35 35 GLY H H 1 9.267 0.030 . 1 . . . . 35 GLY H . 11247 1 334 . 1 1 35 35 GLY HA2 H 1 4.211 0.030 . 2 . . . . 35 GLY HA2 . 11247 1 335 . 1 1 35 35 GLY HA3 H 1 3.677 0.030 . 2 . . . . 35 GLY HA3 . 11247 1 336 . 1 1 35 35 GLY C C 13 174.829 0.300 . 1 . . . . 35 GLY C . 11247 1 337 . 1 1 35 35 GLY CA C 13 45.453 0.300 . 1 . . . . 35 GLY CA . 11247 1 338 . 1 1 35 35 GLY N N 15 112.351 0.300 . 1 . . . . 35 GLY N . 11247 1 339 . 1 1 36 36 CYS H H 1 8.175 0.030 . 1 . . . . 36 CYS H . 11247 1 340 . 1 1 36 36 CYS HA H 1 4.750 0.030 . 1 . . . . 36 CYS HA . 11247 1 341 . 1 1 36 36 CYS HB2 H 1 3.160 0.030 . 2 . . . . 36 CYS HB2 . 11247 1 342 . 1 1 36 36 CYS HB3 H 1 2.957 0.030 . 2 . . . . 36 CYS HB3 . 11247 1 343 . 1 1 36 36 CYS C C 13 173.935 0.300 . 1 . . . . 36 CYS C . 11247 1 344 . 1 1 36 36 CYS CA C 13 59.171 0.300 . 1 . . . . 36 CYS CA . 11247 1 345 . 1 1 36 36 CYS CB C 13 30.316 0.300 . 1 . . . . 36 CYS CB . 11247 1 346 . 1 1 36 36 CYS N N 15 117.826 0.300 . 1 . . . . 36 CYS N . 11247 1 347 . 1 1 37 37 GLU H H 1 8.712 0.030 . 1 . . . . 37 GLU H . 11247 1 348 . 1 1 37 37 GLU HA H 1 4.867 0.030 . 1 . . . . 37 GLU HA . 11247 1 349 . 1 1 37 37 GLU HB2 H 1 2.016 0.030 . 2 . . . . 37 GLU HB2 . 11247 1 350 . 1 1 37 37 GLU HB3 H 1 1.924 0.030 . 2 . . . . 37 GLU HB3 . 11247 1 351 . 1 1 37 37 GLU HG2 H 1 2.088 0.030 . 2 . . . . 37 GLU HG2 . 11247 1 352 . 1 1 37 37 GLU HG3 H 1 1.954 0.030 . 2 . . . . 37 GLU HG3 . 11247 1 353 . 1 1 37 37 GLU C C 13 175.576 0.300 . 1 . . . . 37 GLU C . 11247 1 354 . 1 1 37 37 GLU CA C 13 55.657 0.300 . 1 . . . . 37 GLU CA . 11247 1 355 . 1 1 37 37 GLU CB C 13 30.959 0.300 . 1 . . . . 37 GLU CB . 11247 1 356 . 1 1 37 37 GLU CG C 13 37.688 0.300 . 1 . . . . 37 GLU CG . 11247 1 357 . 1 1 37 37 GLU N N 15 123.942 0.300 . 1 . . . . 37 GLU N . 11247 1 358 . 1 1 38 38 VAL H H 1 9.598 0.030 . 1 . . . . 38 VAL H . 11247 1 359 . 1 1 38 38 VAL HA H 1 4.536 0.030 . 1 . . . . 38 VAL HA . 11247 1 360 . 1 1 38 38 VAL HB H 1 2.316 0.030 . 1 . . . . 38 VAL HB . 11247 1 361 . 1 1 38 38 VAL HG11 H 1 1.246 0.030 . 1 . . . . 38 VAL HG1 . 11247 1 362 . 1 1 38 38 VAL HG12 H 1 1.246 0.030 . 1 . . . . 38 VAL HG1 . 11247 1 363 . 1 1 38 38 VAL HG13 H 1 1.246 0.030 . 1 . . . . 38 VAL HG1 . 11247 1 364 . 1 1 38 38 VAL HG21 H 1 1.050 0.030 . 1 . . . . 38 VAL HG2 . 11247 1 365 . 1 1 38 38 VAL HG22 H 1 1.050 0.030 . 1 . . . . 38 VAL HG2 . 11247 1 366 . 1 1 38 38 VAL HG23 H 1 1.050 0.030 . 1 . . . . 38 VAL HG2 . 11247 1 367 . 1 1 38 38 VAL C C 13 174.899 0.300 . 1 . . . . 38 VAL C . 11247 1 368 . 1 1 38 38 VAL CA C 13 61.919 0.300 . 1 . . . . 38 VAL CA . 11247 1 369 . 1 1 38 38 VAL CB C 13 33.882 0.300 . 1 . . . . 38 VAL CB . 11247 1 370 . 1 1 38 38 VAL CG1 C 13 20.896 0.300 . 2 . . . . 38 VAL CG1 . 11247 1 371 . 1 1 38 38 VAL CG2 C 13 21.342 0.300 . 2 . . . . 38 VAL CG2 . 11247 1 372 . 1 1 38 38 VAL N N 15 129.962 0.300 . 1 . . . . 38 VAL N . 11247 1 373 . 1 1 39 39 THR H H 1 9.098 0.030 . 1 . . . . 39 THR H . 11247 1 374 . 1 1 39 39 THR HA H 1 5.229 0.030 . 1 . . . . 39 THR HA . 11247 1 375 . 1 1 39 39 THR HB H 1 4.301 0.030 . 1 . . . . 39 THR HB . 11247 1 376 . 1 1 39 39 THR HG21 H 1 1.326 0.030 . 1 . . . . 39 THR HG2 . 11247 1 377 . 1 1 39 39 THR HG22 H 1 1.326 0.030 . 1 . . . . 39 THR HG2 . 11247 1 378 . 1 1 39 39 THR HG23 H 1 1.326 0.030 . 1 . . . . 39 THR HG2 . 11247 1 379 . 1 1 39 39 THR C C 13 174.069 0.300 . 1 . . . . 39 THR C . 11247 1 380 . 1 1 39 39 THR CA C 13 59.470 0.300 . 1 . . . . 39 THR CA . 11247 1 381 . 1 1 39 39 THR CB C 13 71.470 0.300 . 1 . . . . 39 THR CB . 11247 1 382 . 1 1 39 39 THR CG2 C 13 23.433 0.300 . 1 . . . . 39 THR CG2 . 11247 1 383 . 1 1 39 39 THR N N 15 117.466 0.300 . 1 . . . . 39 THR N . 11247 1 384 . 1 1 40 40 VAL H H 1 8.122 0.030 . 1 . . . . 40 VAL H . 11247 1 385 . 1 1 40 40 VAL HA H 1 5.163 0.030 . 1 . . . . 40 VAL HA . 11247 1 386 . 1 1 40 40 VAL HB H 1 2.085 0.030 . 1 . . . . 40 VAL HB . 11247 1 387 . 1 1 40 40 VAL HG11 H 1 0.720 0.030 . 1 . . . . 40 VAL HG1 . 11247 1 388 . 1 1 40 40 VAL HG12 H 1 0.720 0.030 . 1 . . . . 40 VAL HG1 . 11247 1 389 . 1 1 40 40 VAL HG13 H 1 0.720 0.030 . 1 . . . . 40 VAL HG1 . 11247 1 390 . 1 1 40 40 VAL HG21 H 1 0.684 0.030 . 1 . . . . 40 VAL HG2 . 11247 1 391 . 1 1 40 40 VAL HG22 H 1 0.684 0.030 . 1 . . . . 40 VAL HG2 . 11247 1 392 . 1 1 40 40 VAL HG23 H 1 0.684 0.030 . 1 . . . . 40 VAL HG2 . 11247 1 393 . 1 1 40 40 VAL C C 13 175.838 0.300 . 1 . . . . 40 VAL C . 11247 1 394 . 1 1 40 40 VAL CA C 13 59.954 0.300 . 1 . . . . 40 VAL CA . 11247 1 395 . 1 1 40 40 VAL CB C 13 35.484 0.300 . 1 . . . . 40 VAL CB . 11247 1 396 . 1 1 40 40 VAL CG1 C 13 21.912 0.300 . 2 . . . . 40 VAL CG1 . 11247 1 397 . 1 1 40 40 VAL CG2 C 13 21.177 0.300 . 2 . . . . 40 VAL CG2 . 11247 1 398 . 1 1 40 40 VAL N N 15 120.287 0.300 . 1 . . . . 40 VAL N . 11247 1 399 . 1 1 41 41 GLY H H 1 8.298 0.030 . 1 . . . . 41 GLY H . 11247 1 400 . 1 1 41 41 GLY HA2 H 1 4.564 0.030 . 2 . . . . 41 GLY HA2 . 11247 1 401 . 1 1 41 41 GLY HA3 H 1 4.139 0.030 . 2 . . . . 41 GLY HA3 . 11247 1 402 . 1 1 41 41 GLY C C 13 170.886 0.300 . 1 . . . . 41 GLY C . 11247 1 403 . 1 1 41 41 GLY CA C 13 46.148 0.300 . 1 . . . . 41 GLY CA . 11247 1 404 . 1 1 41 41 GLY N N 15 111.967 0.300 . 1 . . . . 41 GLY N . 11247 1 405 . 1 1 42 42 ARG H H 1 8.713 0.030 . 1 . . . . 42 ARG H . 11247 1 406 . 1 1 42 42 ARG HA H 1 4.911 0.030 . 1 . . . . 42 ARG HA . 11247 1 407 . 1 1 42 42 ARG HB2 H 1 1.961 0.030 . 2 . . . . 42 ARG HB2 . 11247 1 408 . 1 1 42 42 ARG HB3 H 1 1.611 0.030 . 2 . . . . 42 ARG HB3 . 11247 1 409 . 1 1 42 42 ARG HD2 H 1 3.765 0.030 . 2 . . . . 42 ARG HD2 . 11247 1 410 . 1 1 42 42 ARG HD3 H 1 3.120 0.030 . 2 . . . . 42 ARG HD3 . 11247 1 411 . 1 1 42 42 ARG HG2 H 1 1.411 0.030 . 2 . . . . 42 ARG HG2 . 11247 1 412 . 1 1 42 42 ARG HG3 H 1 1.187 0.030 . 2 . . . . 42 ARG HG3 . 11247 1 413 . 1 1 42 42 ARG C C 13 176.879 0.300 . 1 . . . . 42 ARG C . 11247 1 414 . 1 1 42 42 ARG CA C 13 55.874 0.300 . 1 . . . . 42 ARG CA . 11247 1 415 . 1 1 42 42 ARG CB C 13 31.590 0.300 . 1 . . . . 42 ARG CB . 11247 1 416 . 1 1 42 42 ARG CD C 13 43.983 0.300 . 1 . . . . 42 ARG CD . 11247 1 417 . 1 1 42 42 ARG CG C 13 28.328 0.300 . 1 . . . . 42 ARG CG . 11247 1 418 . 1 1 42 42 ARG N N 15 119.314 0.300 . 1 . . . . 42 ARG N . 11247 1 419 . 1 1 43 43 GLY H H 1 8.807 0.030 . 1 . . . . 43 GLY H . 11247 1 420 . 1 1 43 43 GLY HA2 H 1 4.187 0.030 . 2 . . . . 43 GLY HA2 . 11247 1 421 . 1 1 43 43 GLY HA3 H 1 3.746 0.030 . 2 . . . . 43 GLY HA3 . 11247 1 422 . 1 1 43 43 GLY C C 13 171.669 0.300 . 1 . . . . 43 GLY C . 11247 1 423 . 1 1 43 43 GLY CA C 13 44.076 0.300 . 1 . . . . 43 GLY CA . 11247 1 424 . 1 1 43 43 GLY N N 15 112.214 0.300 . 1 . . . . 43 GLY N . 11247 1 425 . 1 1 44 44 PHE H H 1 8.104 0.030 . 1 . . . . 44 PHE H . 11247 1 426 . 1 1 44 44 PHE HA H 1 4.371 0.030 . 1 . . . . 44 PHE HA . 11247 1 427 . 1 1 44 44 PHE HB2 H 1 3.058 0.030 . 2 . . . . 44 PHE HB2 . 11247 1 428 . 1 1 44 44 PHE HB3 H 1 3.029 0.030 . 2 . . . . 44 PHE HB3 . 11247 1 429 . 1 1 44 44 PHE HD1 H 1 7.306 0.030 . 1 . . . . 44 PHE HD1 . 11247 1 430 . 1 1 44 44 PHE HD2 H 1 7.306 0.030 . 1 . . . . 44 PHE HD2 . 11247 1 431 . 1 1 44 44 PHE HE1 H 1 7.416 0.030 . 1 . . . . 44 PHE HE1 . 11247 1 432 . 1 1 44 44 PHE HE2 H 1 7.416 0.030 . 1 . . . . 44 PHE HE2 . 11247 1 433 . 1 1 44 44 PHE HZ H 1 7.355 0.030 . 1 . . . . 44 PHE HZ . 11247 1 434 . 1 1 44 44 PHE C C 13 177.460 0.300 . 1 . . . . 44 PHE C . 11247 1 435 . 1 1 44 44 PHE CA C 13 58.883 0.300 . 1 . . . . 44 PHE CA . 11247 1 436 . 1 1 44 44 PHE CB C 13 39.506 0.300 . 1 . . . . 44 PHE CB . 11247 1 437 . 1 1 44 44 PHE CD1 C 13 131.832 0.300 . 1 . . . . 44 PHE CD1 . 11247 1 438 . 1 1 44 44 PHE CD2 C 13 131.832 0.300 . 1 . . . . 44 PHE CD2 . 11247 1 439 . 1 1 44 44 PHE CE1 C 13 131.624 0.300 . 3 . . . . 44 PHE CE1 . 11247 1 440 . 1 1 44 44 PHE CE2 C 13 129.990 0.300 . 3 . . . . 44 PHE CE2 . 11247 1 441 . 1 1 44 44 PHE CZ C 13 129.990 0.300 . 1 . . . . 44 PHE CZ . 11247 1 442 . 1 1 44 44 PHE N N 15 116.628 0.300 . 1 . . . . 44 PHE N . 11247 1 443 . 1 1 45 45 GLY H H 1 8.573 0.030 . 1 . . . . 45 GLY H . 11247 1 444 . 1 1 45 45 GLY HA2 H 1 3.954 0.030 . 2 . . . . 45 GLY HA2 . 11247 1 445 . 1 1 45 45 GLY HA3 H 1 3.600 0.030 . 2 . . . . 45 GLY HA3 . 11247 1 446 . 1 1 45 45 GLY C C 13 174.585 0.300 . 1 . . . . 45 GLY C . 11247 1 447 . 1 1 45 45 GLY CA C 13 45.611 0.300 . 1 . . . . 45 GLY CA . 11247 1 448 . 1 1 45 45 GLY N N 15 111.940 0.300 . 1 . . . . 45 GLY N . 11247 1 449 . 1 1 46 46 VAL H H 1 6.714 0.030 . 1 . . . . 46 VAL H . 11247 1 450 . 1 1 46 46 VAL HA H 1 4.613 0.030 . 1 . . . . 46 VAL HA . 11247 1 451 . 1 1 46 46 VAL HB H 1 1.912 0.030 . 1 . . . . 46 VAL HB . 11247 1 452 . 1 1 46 46 VAL HG11 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11247 1 453 . 1 1 46 46 VAL HG12 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11247 1 454 . 1 1 46 46 VAL HG13 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11247 1 455 . 1 1 46 46 VAL HG21 H 1 0.640 0.030 . 1 . . . . 46 VAL HG2 . 11247 1 456 . 1 1 46 46 VAL HG22 H 1 0.640 0.030 . 1 . . . . 46 VAL HG2 . 11247 1 457 . 1 1 46 46 VAL HG23 H 1 0.640 0.030 . 1 . . . . 46 VAL HG2 . 11247 1 458 . 1 1 46 46 VAL C C 13 175.581 0.300 . 1 . . . . 46 VAL C . 11247 1 459 . 1 1 46 46 VAL CA C 13 59.041 0.300 . 1 . . . . 46 VAL CA . 11247 1 460 . 1 1 46 46 VAL CB C 13 32.955 0.300 . 1 . . . . 46 VAL CB . 11247 1 461 . 1 1 46 46 VAL CG1 C 13 21.805 0.300 . 2 . . . . 46 VAL CG1 . 11247 1 462 . 1 1 46 46 VAL CG2 C 13 16.828 0.300 . 2 . . . . 46 VAL CG2 . 11247 1 463 . 1 1 46 46 VAL N N 15 110.913 0.300 . 1 . . . . 46 VAL N . 11247 1 464 . 1 1 47 47 THR H H 1 8.594 0.030 . 1 . . . . 47 THR H . 11247 1 465 . 1 1 47 47 THR HA H 1 3.743 0.030 . 1 . . . . 47 THR HA . 11247 1 466 . 1 1 47 47 THR HB H 1 4.347 0.030 . 1 . . . . 47 THR HB . 11247 1 467 . 1 1 47 47 THR HG21 H 1 0.832 0.030 . 1 . . . . 47 THR HG2 . 11247 1 468 . 1 1 47 47 THR HG22 H 1 0.832 0.030 . 1 . . . . 47 THR HG2 . 11247 1 469 . 1 1 47 47 THR HG23 H 1 0.832 0.030 . 1 . . . . 47 THR HG2 . 11247 1 470 . 1 1 47 47 THR C C 13 174.764 0.300 . 1 . . . . 47 THR C . 11247 1 471 . 1 1 47 47 THR CA C 13 67.109 0.300 . 1 . . . . 47 THR CA . 11247 1 472 . 1 1 47 47 THR CB C 13 68.617 0.300 . 1 . . . . 47 THR CB . 11247 1 473 . 1 1 47 47 THR CG2 C 13 22.811 0.300 . 1 . . . . 47 THR CG2 . 11247 1 474 . 1 1 47 47 THR N N 15 121.103 0.300 . 1 . . . . 47 THR N . 11247 1 475 . 1 1 48 48 TYR H H 1 7.861 0.030 . 1 . . . . 48 TYR H . 11247 1 476 . 1 1 48 48 TYR HA H 1 4.940 0.030 . 1 . . . . 48 TYR HA . 11247 1 477 . 1 1 48 48 TYR HB2 H 1 2.846 0.030 . 2 . . . . 48 TYR HB2 . 11247 1 478 . 1 1 48 48 TYR HB3 H 1 2.527 0.030 . 2 . . . . 48 TYR HB3 . 11247 1 479 . 1 1 48 48 TYR HD1 H 1 6.919 0.030 . 1 . . . . 48 TYR HD1 . 11247 1 480 . 1 1 48 48 TYR HD2 H 1 6.919 0.030 . 1 . . . . 48 TYR HD2 . 11247 1 481 . 1 1 48 48 TYR HE1 H 1 6.877 0.030 . 1 . . . . 48 TYR HE1 . 11247 1 482 . 1 1 48 48 TYR HE2 H 1 6.877 0.030 . 1 . . . . 48 TYR HE2 . 11247 1 483 . 1 1 48 48 TYR C C 13 172.921 0.300 . 1 . . . . 48 TYR C . 11247 1 484 . 1 1 48 48 TYR CA C 13 56.887 0.300 . 1 . . . . 48 TYR CA . 11247 1 485 . 1 1 48 48 TYR CB C 13 41.017 0.300 . 1 . . . . 48 TYR CB . 11247 1 486 . 1 1 48 48 TYR CD1 C 13 133.693 0.300 . 1 . . . . 48 TYR CD1 . 11247 1 487 . 1 1 48 48 TYR CD2 C 13 133.693 0.300 . 1 . . . . 48 TYR CD2 . 11247 1 488 . 1 1 48 48 TYR CE1 C 13 118.559 0.300 . 1 . . . . 48 TYR CE1 . 11247 1 489 . 1 1 48 48 TYR CE2 C 13 118.559 0.300 . 1 . . . . 48 TYR CE2 . 11247 1 490 . 1 1 48 48 TYR N N 15 115.537 0.300 . 1 . . . . 48 TYR N . 11247 1 491 . 1 1 49 49 GLN H H 1 8.444 0.030 . 1 . . . . 49 GLN H . 11247 1 492 . 1 1 49 49 GLN HA H 1 5.057 0.030 . 1 . . . . 49 GLN HA . 11247 1 493 . 1 1 49 49 GLN HB2 H 1 2.020 0.030 . 2 . . . . 49 GLN HB2 . 11247 1 494 . 1 1 49 49 GLN HB3 H 1 1.664 0.030 . 2 . . . . 49 GLN HB3 . 11247 1 495 . 1 1 49 49 GLN HE21 H 1 6.825 0.030 . 2 . . . . 49 GLN HE21 . 11247 1 496 . 1 1 49 49 GLN HE22 H 1 5.991 0.030 . 2 . . . . 49 GLN HE22 . 11247 1 497 . 1 1 49 49 GLN HG2 H 1 2.158 0.030 . 2 . . . . 49 GLN HG2 . 11247 1 498 . 1 1 49 49 GLN HG3 H 1 1.827 0.030 . 2 . . . . 49 GLN HG3 . 11247 1 499 . 1 1 49 49 GLN C C 13 175.766 0.300 . 1 . . . . 49 GLN C . 11247 1 500 . 1 1 49 49 GLN CA C 13 53.583 0.300 . 1 . . . . 49 GLN CA . 11247 1 501 . 1 1 49 49 GLN CB C 13 29.568 0.300 . 1 . . . . 49 GLN CB . 11247 1 502 . 1 1 49 49 GLN CG C 13 33.898 0.300 . 1 . . . . 49 GLN CG . 11247 1 503 . 1 1 49 49 GLN N N 15 123.428 0.300 . 1 . . . . 49 GLN N . 11247 1 504 . 1 1 49 49 GLN NE2 N 15 109.672 0.300 . 1 . . . . 49 GLN NE2 . 11247 1 505 . 1 1 50 50 LEU H H 1 8.439 0.030 . 1 . . . . 50 LEU H . 11247 1 506 . 1 1 50 50 LEU HA H 1 4.420 0.030 . 1 . . . . 50 LEU HA . 11247 1 507 . 1 1 50 50 LEU HB2 H 1 1.195 0.030 . 2 . . . . 50 LEU HB2 . 11247 1 508 . 1 1 50 50 LEU HB3 H 1 0.567 0.030 . 2 . . . . 50 LEU HB3 . 11247 1 509 . 1 1 50 50 LEU HD11 H 1 0.134 0.030 . 1 . . . . 50 LEU HD1 . 11247 1 510 . 1 1 50 50 LEU HD12 H 1 0.134 0.030 . 1 . . . . 50 LEU HD1 . 11247 1 511 . 1 1 50 50 LEU HD13 H 1 0.134 0.030 . 1 . . . . 50 LEU HD1 . 11247 1 512 . 1 1 50 50 LEU HD21 H 1 0.540 0.030 . 1 . . . . 50 LEU HD2 . 11247 1 513 . 1 1 50 50 LEU HD22 H 1 0.540 0.030 . 1 . . . . 50 LEU HD2 . 11247 1 514 . 1 1 50 50 LEU HD23 H 1 0.540 0.030 . 1 . . . . 50 LEU HD2 . 11247 1 515 . 1 1 50 50 LEU HG H 1 1.254 0.030 . 1 . . . . 50 LEU HG . 11247 1 516 . 1 1 50 50 LEU C C 13 174.921 0.300 . 1 . . . . 50 LEU C . 11247 1 517 . 1 1 50 50 LEU CA C 13 53.514 0.300 . 1 . . . . 50 LEU CA . 11247 1 518 . 1 1 50 50 LEU CB C 13 41.498 0.300 . 1 . . . . 50 LEU CB . 11247 1 519 . 1 1 50 50 LEU CD1 C 13 25.709 0.300 . 2 . . . . 50 LEU CD1 . 11247 1 520 . 1 1 50 50 LEU CD2 C 13 21.924 0.300 . 2 . . . . 50 LEU CD2 . 11247 1 521 . 1 1 50 50 LEU CG C 13 26.384 0.300 . 1 . . . . 50 LEU CG . 11247 1 522 . 1 1 50 50 LEU N N 15 130.469 0.300 . 1 . . . . 50 LEU N . 11247 1 523 . 1 1 51 51 VAL H H 1 8.128 0.030 . 1 . . . . 51 VAL H . 11247 1 524 . 1 1 51 51 VAL HA H 1 4.222 0.030 . 1 . . . . 51 VAL HA . 11247 1 525 . 1 1 51 51 VAL HB H 1 2.017 0.030 . 1 . . . . 51 VAL HB . 11247 1 526 . 1 1 51 51 VAL HG11 H 1 0.857 0.030 . 1 . . . . 51 VAL HG1 . 11247 1 527 . 1 1 51 51 VAL HG12 H 1 0.857 0.030 . 1 . . . . 51 VAL HG1 . 11247 1 528 . 1 1 51 51 VAL HG13 H 1 0.857 0.030 . 1 . . . . 51 VAL HG1 . 11247 1 529 . 1 1 51 51 VAL HG21 H 1 0.835 0.030 . 1 . . . . 51 VAL HG2 . 11247 1 530 . 1 1 51 51 VAL HG22 H 1 0.835 0.030 . 1 . . . . 51 VAL HG2 . 11247 1 531 . 1 1 51 51 VAL HG23 H 1 0.835 0.030 . 1 . . . . 51 VAL HG2 . 11247 1 532 . 1 1 51 51 VAL C C 13 174.977 0.300 . 1 . . . . 51 VAL C . 11247 1 533 . 1 1 51 51 VAL CA C 13 60.925 0.300 . 1 . . . . 51 VAL CA . 11247 1 534 . 1 1 51 51 VAL CB C 13 32.598 0.300 . 1 . . . . 51 VAL CB . 11247 1 535 . 1 1 51 51 VAL CG1 C 13 21.378 0.300 . 2 . . . . 51 VAL CG1 . 11247 1 536 . 1 1 51 51 VAL CG2 C 13 20.461 0.300 . 2 . . . . 51 VAL CG2 . 11247 1 537 . 1 1 51 51 VAL N N 15 123.550 0.300 . 1 . . . . 51 VAL N . 11247 1 538 . 1 1 52 52 SER H H 1 8.589 0.030 . 1 . . . . 52 SER H . 11247 1 539 . 1 1 52 52 SER HA H 1 4.543 0.030 . 1 . . . . 52 SER HA . 11247 1 540 . 1 1 52 52 SER HB2 H 1 4.158 0.030 . 2 . . . . 52 SER HB2 . 11247 1 541 . 1 1 52 52 SER HB3 H 1 3.508 0.030 . 2 . . . . 52 SER HB3 . 11247 1 542 . 1 1 52 52 SER C C 13 176.679 0.300 . 1 . . . . 52 SER C . 11247 1 543 . 1 1 52 52 SER CA C 13 57.703 0.300 . 1 . . . . 52 SER CA . 11247 1 544 . 1 1 52 52 SER CB C 13 63.721 0.300 . 1 . . . . 52 SER CB . 11247 1 545 . 1 1 52 52 SER N N 15 122.726 0.300 . 1 . . . . 52 SER N . 11247 1 546 . 1 1 53 53 LYS H H 1 9.528 0.030 . 1 . . . . 53 LYS H . 11247 1 547 . 1 1 53 53 LYS HA H 1 4.270 0.030 . 1 . . . . 53 LYS HA . 11247 1 548 . 1 1 53 53 LYS HB2 H 1 1.939 0.030 . 2 . . . . 53 LYS HB2 . 11247 1 549 . 1 1 53 53 LYS HB3 H 1 1.717 0.030 . 2 . . . . 53 LYS HB3 . 11247 1 550 . 1 1 53 53 LYS HD2 H 1 1.701 0.030 . 1 . . . . 53 LYS HD2 . 11247 1 551 . 1 1 53 53 LYS HD3 H 1 1.701 0.030 . 1 . . . . 53 LYS HD3 . 11247 1 552 . 1 1 53 53 LYS HE2 H 1 3.029 0.030 . 1 . . . . 53 LYS HE2 . 11247 1 553 . 1 1 53 53 LYS HE3 H 1 3.029 0.030 . 1 . . . . 53 LYS HE3 . 11247 1 554 . 1 1 53 53 LYS HG2 H 1 1.576 0.030 . 2 . . . . 53 LYS HG2 . 11247 1 555 . 1 1 53 53 LYS HG3 H 1 1.490 0.030 . 2 . . . . 53 LYS HG3 . 11247 1 556 . 1 1 53 53 LYS C C 13 177.082 0.300 . 1 . . . . 53 LYS C . 11247 1 557 . 1 1 53 53 LYS CA C 13 57.123 0.300 . 1 . . . . 53 LYS CA . 11247 1 558 . 1 1 53 53 LYS CB C 13 32.894 0.300 . 1 . . . . 53 LYS CB . 11247 1 559 . 1 1 53 53 LYS CD C 13 28.937 0.300 . 1 . . . . 53 LYS CD . 11247 1 560 . 1 1 53 53 LYS CE C 13 42.149 0.300 . 1 . . . . 53 LYS CE . 11247 1 561 . 1 1 53 53 LYS CG C 13 25.320 0.300 . 1 . . . . 53 LYS CG . 11247 1 562 . 1 1 53 53 LYS N N 15 127.012 0.300 . 1 . . . . 53 LYS N . 11247 1 563 . 1 1 54 54 ILE H H 1 8.329 0.030 . 1 . . . . 54 ILE H . 11247 1 564 . 1 1 54 54 ILE HA H 1 4.103 0.030 . 1 . . . . 54 ILE HA . 11247 1 565 . 1 1 54 54 ILE HB H 1 1.659 0.030 . 1 . . . . 54 ILE HB . 11247 1 566 . 1 1 54 54 ILE HD11 H 1 0.754 0.030 . 1 . . . . 54 ILE HD1 . 11247 1 567 . 1 1 54 54 ILE HD12 H 1 0.754 0.030 . 1 . . . . 54 ILE HD1 . 11247 1 568 . 1 1 54 54 ILE HD13 H 1 0.754 0.030 . 1 . . . . 54 ILE HD1 . 11247 1 569 . 1 1 54 54 ILE HG12 H 1 1.419 0.030 . 2 . . . . 54 ILE HG12 . 11247 1 570 . 1 1 54 54 ILE HG13 H 1 1.093 0.030 . 2 . . . . 54 ILE HG13 . 11247 1 571 . 1 1 54 54 ILE HG21 H 1 0.869 0.030 . 1 . . . . 54 ILE HG2 . 11247 1 572 . 1 1 54 54 ILE HG22 H 1 0.869 0.030 . 1 . . . . 54 ILE HG2 . 11247 1 573 . 1 1 54 54 ILE HG23 H 1 0.869 0.030 . 1 . . . . 54 ILE HG2 . 11247 1 574 . 1 1 54 54 ILE C C 13 176.632 0.300 . 1 . . . . 54 ILE C . 11247 1 575 . 1 1 54 54 ILE CA C 13 62.314 0.300 . 1 . . . . 54 ILE CA . 11247 1 576 . 1 1 54 54 ILE CB C 13 39.471 0.300 . 1 . . . . 54 ILE CB . 11247 1 577 . 1 1 54 54 ILE CD1 C 13 12.704 0.300 . 1 . . . . 54 ILE CD1 . 11247 1 578 . 1 1 54 54 ILE CG1 C 13 27.533 0.300 . 1 . . . . 54 ILE CG1 . 11247 1 579 . 1 1 54 54 ILE CG2 C 13 17.933 0.300 . 1 . . . . 54 ILE CG2 . 11247 1 580 . 1 1 54 54 ILE N N 15 119.021 0.300 . 1 . . . . 54 ILE N . 11247 1 581 . 1 1 55 55 CYS H H 1 8.329 0.030 . 1 . . . . 55 CYS H . 11247 1 582 . 1 1 55 55 CYS HA H 1 4.913 0.030 . 1 . . . . 55 CYS HA . 11247 1 583 . 1 1 55 55 CYS HB2 H 1 2.944 0.030 . 2 . . . . 55 CYS HB2 . 11247 1 584 . 1 1 55 55 CYS HB3 H 1 2.799 0.030 . 2 . . . . 55 CYS HB3 . 11247 1 585 . 1 1 55 55 CYS C C 13 172.659 0.300 . 1 . . . . 55 CYS C . 11247 1 586 . 1 1 55 55 CYS CA C 13 56.354 0.300 . 1 . . . . 55 CYS CA . 11247 1 587 . 1 1 55 55 CYS CB C 13 27.039 0.300 . 1 . . . . 55 CYS CB . 11247 1 588 . 1 1 55 55 CYS N N 15 119.512 0.300 . 1 . . . . 55 CYS N . 11247 1 589 . 1 1 56 56 PRO HA H 1 4.555 0.030 . 1 . . . . 56 PRO HA . 11247 1 590 . 1 1 56 56 PRO HB2 H 1 2.587 0.030 . 2 . . . . 56 PRO HB2 . 11247 1 591 . 1 1 56 56 PRO HB3 H 1 1.989 0.030 . 2 . . . . 56 PRO HB3 . 11247 1 592 . 1 1 56 56 PRO HD2 H 1 3.864 0.030 . 2 . . . . 56 PRO HD2 . 11247 1 593 . 1 1 56 56 PRO HD3 H 1 3.331 0.030 . 2 . . . . 56 PRO HD3 . 11247 1 594 . 1 1 56 56 PRO HG2 H 1 2.134 0.030 . 2 . . . . 56 PRO HG2 . 11247 1 595 . 1 1 56 56 PRO HG3 H 1 2.033 0.030 . 2 . . . . 56 PRO HG3 . 11247 1 596 . 1 1 56 56 PRO C C 13 177.666 0.300 . 1 . . . . 56 PRO C . 11247 1 597 . 1 1 56 56 PRO CA C 13 65.282 0.300 . 1 . . . . 56 PRO CA . 11247 1 598 . 1 1 56 56 PRO CB C 13 32.253 0.300 . 1 . . . . 56 PRO CB . 11247 1 599 . 1 1 56 56 PRO CD C 13 50.506 0.300 . 1 . . . . 56 PRO CD . 11247 1 600 . 1 1 56 56 PRO CG C 13 27.165 0.300 . 1 . . . . 56 PRO CG . 11247 1 601 . 1 1 57 57 LEU H H 1 8.222 0.030 . 1 . . . . 57 LEU H . 11247 1 602 . 1 1 57 57 LEU HA H 1 4.439 0.030 . 1 . . . . 57 LEU HA . 11247 1 603 . 1 1 57 57 LEU HB2 H 1 1.713 0.030 . 2 . . . . 57 LEU HB2 . 11247 1 604 . 1 1 57 57 LEU HB3 H 1 1.654 0.030 . 2 . . . . 57 LEU HB3 . 11247 1 605 . 1 1 57 57 LEU HD11 H 1 0.913 0.030 . 1 . . . . 57 LEU HD1 . 11247 1 606 . 1 1 57 57 LEU HD12 H 1 0.913 0.030 . 1 . . . . 57 LEU HD1 . 11247 1 607 . 1 1 57 57 LEU HD13 H 1 0.913 0.030 . 1 . . . . 57 LEU HD1 . 11247 1 608 . 1 1 57 57 LEU HD21 H 1 0.812 0.030 . 1 . . . . 57 LEU HD2 . 11247 1 609 . 1 1 57 57 LEU HD22 H 1 0.812 0.030 . 1 . . . . 57 LEU HD2 . 11247 1 610 . 1 1 57 57 LEU HD23 H 1 0.812 0.030 . 1 . . . . 57 LEU HD2 . 11247 1 611 . 1 1 57 57 LEU HG H 1 1.647 0.030 . 1 . . . . 57 LEU HG . 11247 1 612 . 1 1 57 57 LEU C C 13 177.647 0.300 . 1 . . . . 57 LEU C . 11247 1 613 . 1 1 57 57 LEU CA C 13 54.622 0.300 . 1 . . . . 57 LEU CA . 11247 1 614 . 1 1 57 57 LEU CB C 13 40.630 0.300 . 1 . . . . 57 LEU CB . 11247 1 615 . 1 1 57 57 LEU CD1 C 13 25.151 0.300 . 2 . . . . 57 LEU CD1 . 11247 1 616 . 1 1 57 57 LEU CD2 C 13 22.024 0.300 . 2 . . . . 57 LEU CD2 . 11247 1 617 . 1 1 57 57 LEU CG C 13 27.207 0.300 . 1 . . . . 57 LEU CG . 11247 1 618 . 1 1 57 57 LEU N N 15 113.707 0.300 . 1 . . . . 57 LEU N . 11247 1 619 . 1 1 58 58 MET H H 1 7.995 0.030 . 1 . . . . 58 MET H . 11247 1 620 . 1 1 58 58 MET HA H 1 4.453 0.030 . 1 . . . . 58 MET HA . 11247 1 621 . 1 1 58 58 MET HB2 H 1 2.543 0.030 . 2 . . . . 58 MET HB2 . 11247 1 622 . 1 1 58 58 MET HB3 H 1 2.369 0.030 . 2 . . . . 58 MET HB3 . 11247 1 623 . 1 1 58 58 MET HE1 H 1 2.204 0.030 . 1 . . . . 58 MET HE . 11247 1 624 . 1 1 58 58 MET HE2 H 1 2.204 0.030 . 1 . . . . 58 MET HE . 11247 1 625 . 1 1 58 58 MET HE3 H 1 2.204 0.030 . 1 . . . . 58 MET HE . 11247 1 626 . 1 1 58 58 MET HG2 H 1 3.162 0.030 . 2 . . . . 58 MET HG2 . 11247 1 627 . 1 1 58 58 MET HG3 H 1 2.543 0.030 . 2 . . . . 58 MET HG3 . 11247 1 628 . 1 1 58 58 MET C C 13 177.131 0.300 . 1 . . . . 58 MET C . 11247 1 629 . 1 1 58 58 MET CA C 13 57.006 0.300 . 1 . . . . 58 MET CA . 11247 1 630 . 1 1 58 58 MET CB C 13 31.350 0.300 . 1 . . . . 58 MET CB . 11247 1 631 . 1 1 58 58 MET CE C 13 16.832 0.300 . 1 . . . . 58 MET CE . 11247 1 632 . 1 1 58 58 MET CG C 13 31.394 0.300 . 1 . . . . 58 MET CG . 11247 1 633 . 1 1 58 58 MET N N 15 120.041 0.300 . 1 . . . . 58 MET N . 11247 1 634 . 1 1 59 59 ILE H H 1 7.618 0.030 . 1 . . . . 59 ILE H . 11247 1 635 . 1 1 59 59 ILE HA H 1 4.744 0.030 . 1 . . . . 59 ILE HA . 11247 1 636 . 1 1 59 59 ILE HB H 1 2.057 0.030 . 1 . . . . 59 ILE HB . 11247 1 637 . 1 1 59 59 ILE HD11 H 1 0.298 0.030 . 1 . . . . 59 ILE HD1 . 11247 1 638 . 1 1 59 59 ILE HD12 H 1 0.298 0.030 . 1 . . . . 59 ILE HD1 . 11247 1 639 . 1 1 59 59 ILE HD13 H 1 0.298 0.030 . 1 . . . . 59 ILE HD1 . 11247 1 640 . 1 1 59 59 ILE HG12 H 1 1.559 0.030 . 2 . . . . 59 ILE HG12 . 11247 1 641 . 1 1 59 59 ILE HG13 H 1 0.964 0.030 . 2 . . . . 59 ILE HG13 . 11247 1 642 . 1 1 59 59 ILE HG21 H 1 0.987 0.030 . 1 . . . . 59 ILE HG2 . 11247 1 643 . 1 1 59 59 ILE HG22 H 1 0.987 0.030 . 1 . . . . 59 ILE HG2 . 11247 1 644 . 1 1 59 59 ILE HG23 H 1 0.987 0.030 . 1 . . . . 59 ILE HG2 . 11247 1 645 . 1 1 59 59 ILE C C 13 176.943 0.300 . 1 . . . . 59 ILE C . 11247 1 646 . 1 1 59 59 ILE CA C 13 56.177 0.300 . 1 . . . . 59 ILE CA . 11247 1 647 . 1 1 59 59 ILE CB C 13 37.181 0.300 . 1 . . . . 59 ILE CB . 11247 1 648 . 1 1 59 59 ILE CD1 C 13 9.203 0.300 . 1 . . . . 59 ILE CD1 . 11247 1 649 . 1 1 59 59 ILE CG1 C 13 26.067 0.300 . 1 . . . . 59 ILE CG1 . 11247 1 650 . 1 1 59 59 ILE CG2 C 13 16.563 0.300 . 1 . . . . 59 ILE CG2 . 11247 1 651 . 1 1 59 59 ILE N N 15 118.817 0.300 . 1 . . . . 59 ILE N . 11247 1 652 . 1 1 60 60 SER H H 1 11.316 0.030 . 1 . . . . 60 SER H . 11247 1 653 . 1 1 60 60 SER HA H 1 4.643 0.030 . 1 . . . . 60 SER HA . 11247 1 654 . 1 1 60 60 SER HB2 H 1 4.328 0.030 . 2 . . . . 60 SER HB2 . 11247 1 655 . 1 1 60 60 SER HB3 H 1 3.516 0.030 . 2 . . . . 60 SER HB3 . 11247 1 656 . 1 1 60 60 SER C C 13 174.303 0.300 . 1 . . . . 60 SER C . 11247 1 657 . 1 1 60 60 SER CA C 13 61.020 0.300 . 1 . . . . 60 SER CA . 11247 1 658 . 1 1 60 60 SER CB C 13 64.528 0.300 . 1 . . . . 60 SER CB . 11247 1 659 . 1 1 60 60 SER N N 15 126.224 0.300 . 1 . . . . 60 SER N . 11247 1 660 . 1 1 61 61 ARG H H 1 8.805 0.030 . 1 . . . . 61 ARG H . 11247 1 661 . 1 1 61 61 ARG HA H 1 3.780 0.030 . 1 . . . . 61 ARG HA . 11247 1 662 . 1 1 61 61 ARG HB2 H 1 1.865 0.030 . 1 . . . . 61 ARG HB2 . 11247 1 663 . 1 1 61 61 ARG HB3 H 1 1.865 0.030 . 1 . . . . 61 ARG HB3 . 11247 1 664 . 1 1 61 61 ARG HD2 H 1 3.305 0.030 . 1 . . . . 61 ARG HD2 . 11247 1 665 . 1 1 61 61 ARG HD3 H 1 3.305 0.030 . 1 . . . . 61 ARG HD3 . 11247 1 666 . 1 1 61 61 ARG HG2 H 1 1.826 0.030 . 2 . . . . 61 ARG HG2 . 11247 1 667 . 1 1 61 61 ARG HG3 H 1 1.491 0.030 . 2 . . . . 61 ARG HG3 . 11247 1 668 . 1 1 61 61 ARG CA C 13 61.443 0.300 . 1 . . . . 61 ARG CA . 11247 1 669 . 1 1 61 61 ARG CB C 13 29.684 0.300 . 1 . . . . 61 ARG CB . 11247 1 670 . 1 1 61 61 ARG CD C 13 43.428 0.300 . 1 . . . . 61 ARG CD . 11247 1 671 . 1 1 61 61 ARG CG C 13 28.878 0.300 . 1 . . . . 61 ARG CG . 11247 1 672 . 1 1 62 62 ASN H H 1 8.387 0.030 . 1 . . . . 62 ASN H . 11247 1 673 . 1 1 62 62 ASN HA H 1 4.567 0.030 . 1 . . . . 62 ASN HA . 11247 1 674 . 1 1 62 62 ASN HB2 H 1 2.737 0.030 . 2 . . . . 62 ASN HB2 . 11247 1 675 . 1 1 62 62 ASN HB3 H 1 2.488 0.030 . 2 . . . . 62 ASN HB3 . 11247 1 676 . 1 1 62 62 ASN HD21 H 1 7.176 0.030 . 2 . . . . 62 ASN HD21 . 11247 1 677 . 1 1 62 62 ASN HD22 H 1 6.421 0.030 . 2 . . . . 62 ASN HD22 . 11247 1 678 . 1 1 62 62 ASN C C 13 173.617 0.300 . 1 . . . . 62 ASN C . 11247 1 679 . 1 1 62 62 ASN CA C 13 53.554 0.300 . 1 . . . . 62 ASN CA . 11247 1 680 . 1 1 62 62 ASN CB C 13 38.727 0.300 . 1 . . . . 62 ASN CB . 11247 1 681 . 1 1 62 62 ASN ND2 N 15 109.119 0.300 . 1 . . . . 62 ASN ND2 . 11247 1 682 . 1 1 63 63 HIS H H 1 8.827 0.030 . 1 . . . . 63 HIS H . 11247 1 683 . 1 1 63 63 HIS HA H 1 4.100 0.030 . 1 . . . . 63 HIS HA . 11247 1 684 . 1 1 63 63 HIS HB2 H 1 3.307 0.030 . 1 . . . . 63 HIS HB2 . 11247 1 685 . 1 1 63 63 HIS HB3 H 1 3.307 0.030 . 1 . . . . 63 HIS HB3 . 11247 1 686 . 1 1 63 63 HIS HD2 H 1 6.525 0.030 . 1 . . . . 63 HIS HD2 . 11247 1 687 . 1 1 63 63 HIS HE1 H 1 8.012 0.030 . 1 . . . . 63 HIS HE1 . 11247 1 688 . 1 1 63 63 HIS C C 13 175.468 0.300 . 1 . . . . 63 HIS C . 11247 1 689 . 1 1 63 63 HIS CA C 13 60.145 0.300 . 1 . . . . 63 HIS CA . 11247 1 690 . 1 1 63 63 HIS CB C 13 35.240 0.300 . 1 . . . . 63 HIS CB . 11247 1 691 . 1 1 63 63 HIS CD2 C 13 115.857 0.300 . 1 . . . . 63 HIS CD2 . 11247 1 692 . 1 1 63 63 HIS CE1 C 13 138.504 0.300 . 1 . . . . 63 HIS CE1 . 11247 1 693 . 1 1 63 63 HIS N N 15 123.917 0.300 . 1 . . . . 63 HIS N . 11247 1 694 . 1 1 64 64 CYS H H 1 8.358 0.030 . 1 . . . . 64 CYS H . 11247 1 695 . 1 1 64 64 CYS HA H 1 5.492 0.030 . 1 . . . . 64 CYS HA . 11247 1 696 . 1 1 64 64 CYS HB2 H 1 3.104 0.030 . 2 . . . . 64 CYS HB2 . 11247 1 697 . 1 1 64 64 CYS HB3 H 1 2.970 0.030 . 2 . . . . 64 CYS HB3 . 11247 1 698 . 1 1 64 64 CYS C C 13 171.115 0.300 . 1 . . . . 64 CYS C . 11247 1 699 . 1 1 64 64 CYS CA C 13 56.052 0.300 . 1 . . . . 64 CYS CA . 11247 1 700 . 1 1 64 64 CYS CB C 13 31.619 0.300 . 1 . . . . 64 CYS CB . 11247 1 701 . 1 1 64 64 CYS N N 15 108.016 0.300 . 1 . . . . 64 CYS N . 11247 1 702 . 1 1 65 65 VAL H H 1 8.607 0.030 . 1 . . . . 65 VAL H . 11247 1 703 . 1 1 65 65 VAL HA H 1 5.062 0.030 . 1 . . . . 65 VAL HA . 11247 1 704 . 1 1 65 65 VAL HB H 1 1.942 0.030 . 1 . . . . 65 VAL HB . 11247 1 705 . 1 1 65 65 VAL HG11 H 1 0.919 0.030 . 1 . . . . 65 VAL HG1 . 11247 1 706 . 1 1 65 65 VAL HG12 H 1 0.919 0.030 . 1 . . . . 65 VAL HG1 . 11247 1 707 . 1 1 65 65 VAL HG13 H 1 0.919 0.030 . 1 . . . . 65 VAL HG1 . 11247 1 708 . 1 1 65 65 VAL HG21 H 1 0.885 0.030 . 1 . . . . 65 VAL HG2 . 11247 1 709 . 1 1 65 65 VAL HG22 H 1 0.885 0.030 . 1 . . . . 65 VAL HG2 . 11247 1 710 . 1 1 65 65 VAL HG23 H 1 0.885 0.030 . 1 . . . . 65 VAL HG2 . 11247 1 711 . 1 1 65 65 VAL C C 13 174.399 0.300 . 1 . . . . 65 VAL C . 11247 1 712 . 1 1 65 65 VAL CA C 13 60.566 0.300 . 1 . . . . 65 VAL CA . 11247 1 713 . 1 1 65 65 VAL CB C 13 35.617 0.300 . 1 . . . . 65 VAL CB . 11247 1 714 . 1 1 65 65 VAL CG1 C 13 20.463 0.300 . 2 . . . . 65 VAL CG1 . 11247 1 715 . 1 1 65 65 VAL CG2 C 13 21.556 0.300 . 2 . . . . 65 VAL CG2 . 11247 1 716 . 1 1 65 65 VAL N N 15 119.180 0.300 . 1 . . . . 65 VAL N . 11247 1 717 . 1 1 66 66 LEU H H 1 9.919 0.030 . 1 . . . . 66 LEU H . 11247 1 718 . 1 1 66 66 LEU HA H 1 5.833 0.030 . 1 . . . . 66 LEU HA . 11247 1 719 . 1 1 66 66 LEU HB2 H 1 1.895 0.030 . 2 . . . . 66 LEU HB2 . 11247 1 720 . 1 1 66 66 LEU HB3 H 1 1.836 0.030 . 2 . . . . 66 LEU HB3 . 11247 1 721 . 1 1 66 66 LEU HD11 H 1 0.734 0.030 . 1 . . . . 66 LEU HD1 . 11247 1 722 . 1 1 66 66 LEU HD12 H 1 0.734 0.030 . 1 . . . . 66 LEU HD1 . 11247 1 723 . 1 1 66 66 LEU HD13 H 1 0.734 0.030 . 1 . . . . 66 LEU HD1 . 11247 1 724 . 1 1 66 66 LEU HD21 H 1 0.843 0.030 . 1 . . . . 66 LEU HD2 . 11247 1 725 . 1 1 66 66 LEU HD22 H 1 0.843 0.030 . 1 . . . . 66 LEU HD2 . 11247 1 726 . 1 1 66 66 LEU HD23 H 1 0.843 0.030 . 1 . . . . 66 LEU HD2 . 11247 1 727 . 1 1 66 66 LEU HG H 1 1.663 0.030 . 1 . . . . 66 LEU HG . 11247 1 728 . 1 1 66 66 LEU C C 13 174.503 0.300 . 1 . . . . 66 LEU C . 11247 1 729 . 1 1 66 66 LEU CA C 13 55.370 0.300 . 1 . . . . 66 LEU CA . 11247 1 730 . 1 1 66 66 LEU CB C 13 43.732 0.300 . 1 . . . . 66 LEU CB . 11247 1 731 . 1 1 66 66 LEU CD1 C 13 26.000 0.300 . 2 . . . . 66 LEU CD1 . 11247 1 732 . 1 1 66 66 LEU CD2 C 13 27.472 0.300 . 2 . . . . 66 LEU CD2 . 11247 1 733 . 1 1 66 66 LEU CG C 13 29.310 0.300 . 1 . . . . 66 LEU CG . 11247 1 734 . 1 1 66 66 LEU N N 15 130.229 0.300 . 1 . . . . 66 LEU N . 11247 1 735 . 1 1 67 67 LYS H H 1 8.101 0.030 . 1 . . . . 67 LYS H . 11247 1 736 . 1 1 67 67 LYS HA H 1 4.857 0.030 . 1 . . . . 67 LYS HA . 11247 1 737 . 1 1 67 67 LYS HB2 H 1 1.710 0.030 . 1 . . . . 67 LYS HB2 . 11247 1 738 . 1 1 67 67 LYS HB3 H 1 1.710 0.030 . 1 . . . . 67 LYS HB3 . 11247 1 739 . 1 1 67 67 LYS HD2 H 1 1.533 0.030 . 1 . . . . 67 LYS HD2 . 11247 1 740 . 1 1 67 67 LYS HD3 H 1 1.533 0.030 . 1 . . . . 67 LYS HD3 . 11247 1 741 . 1 1 67 67 LYS HE2 H 1 2.842 0.030 . 1 . . . . 67 LYS HE2 . 11247 1 742 . 1 1 67 67 LYS HE3 H 1 2.842 0.030 . 1 . . . . 67 LYS HE3 . 11247 1 743 . 1 1 67 67 LYS HG2 H 1 1.468 0.030 . 2 . . . . 67 LYS HG2 . 11247 1 744 . 1 1 67 67 LYS HG3 H 1 1.028 0.030 . 2 . . . . 67 LYS HG3 . 11247 1 745 . 1 1 67 67 LYS C C 13 175.778 0.300 . 1 . . . . 67 LYS C . 11247 1 746 . 1 1 67 67 LYS CA C 13 56.011 0.300 . 1 . . . . 67 LYS CA . 11247 1 747 . 1 1 67 67 LYS CB C 13 35.909 0.300 . 1 . . . . 67 LYS CB . 11247 1 748 . 1 1 67 67 LYS CD C 13 29.400 0.300 . 1 . . . . 67 LYS CD . 11247 1 749 . 1 1 67 67 LYS CE C 13 42.058 0.300 . 1 . . . . 67 LYS CE . 11247 1 750 . 1 1 67 67 LYS CG C 13 23.608 0.300 . 1 . . . . 67 LYS CG . 11247 1 751 . 1 1 67 67 LYS N N 15 119.036 0.300 . 1 . . . . 67 LYS N . 11247 1 752 . 1 1 68 68 GLN H H 1 8.782 0.030 . 1 . . . . 68 GLN H . 11247 1 753 . 1 1 68 68 GLN HA H 1 4.365 0.030 . 1 . . . . 68 GLN HA . 11247 1 754 . 1 1 68 68 GLN HB2 H 1 1.252 0.030 . 1 . . . . 68 GLN HB2 . 11247 1 755 . 1 1 68 68 GLN HB3 H 1 1.252 0.030 . 1 . . . . 68 GLN HB3 . 11247 1 756 . 1 1 68 68 GLN HE21 H 1 7.546 0.030 . 2 . . . . 68 GLN HE21 . 11247 1 757 . 1 1 68 68 GLN HE22 H 1 6.807 0.030 . 2 . . . . 68 GLN HE22 . 11247 1 758 . 1 1 68 68 GLN HG2 H 1 0.278 0.030 . 2 . . . . 68 GLN HG2 . 11247 1 759 . 1 1 68 68 GLN HG3 H 1 -0.549 0.030 . 2 . . . . 68 GLN HG3 . 11247 1 760 . 1 1 68 68 GLN C C 13 176.221 0.300 . 1 . . . . 68 GLN C . 11247 1 761 . 1 1 68 68 GLN CA C 13 54.882 0.300 . 1 . . . . 68 GLN CA . 11247 1 762 . 1 1 68 68 GLN CB C 13 30.315 0.300 . 1 . . . . 68 GLN CB . 11247 1 763 . 1 1 68 68 GLN CG C 13 32.486 0.300 . 1 . . . . 68 GLN CG . 11247 1 764 . 1 1 68 68 GLN N N 15 126.067 0.300 . 1 . . . . 68 GLN N . 11247 1 765 . 1 1 68 68 GLN NE2 N 15 114.341 0.300 . 1 . . . . 68 GLN NE2 . 11247 1 766 . 1 1 69 69 ASN H H 1 8.405 0.030 . 1 . . . . 69 ASN H . 11247 1 767 . 1 1 69 69 ASN HA H 1 4.632 0.030 . 1 . . . . 69 ASN HA . 11247 1 768 . 1 1 69 69 ASN HB2 H 1 3.436 0.030 . 2 . . . . 69 ASN HB2 . 11247 1 769 . 1 1 69 69 ASN HB3 H 1 2.646 0.030 . 2 . . . . 69 ASN HB3 . 11247 1 770 . 1 1 69 69 ASN HD21 H 1 7.453 0.030 . 2 . . . . 69 ASN HD21 . 11247 1 771 . 1 1 69 69 ASN HD22 H 1 7.096 0.030 . 2 . . . . 69 ASN HD22 . 11247 1 772 . 1 1 69 69 ASN C C 13 175.535 0.300 . 1 . . . . 69 ASN C . 11247 1 773 . 1 1 69 69 ASN CA C 13 51.198 0.300 . 1 . . . . 69 ASN CA . 11247 1 774 . 1 1 69 69 ASN CB C 13 36.982 0.300 . 1 . . . . 69 ASN CB . 11247 1 775 . 1 1 69 69 ASN N N 15 121.832 0.300 . 1 . . . . 69 ASN N . 11247 1 776 . 1 1 69 69 ASN ND2 N 15 110.529 0.300 . 1 . . . . 69 ASN ND2 . 11247 1 777 . 1 1 70 70 PRO HA H 1 4.208 0.030 . 1 . . . . 70 PRO HA . 11247 1 778 . 1 1 70 70 PRO HB2 H 1 2.361 0.030 . 2 . . . . 70 PRO HB2 . 11247 1 779 . 1 1 70 70 PRO HB3 H 1 1.782 0.030 . 2 . . . . 70 PRO HB3 . 11247 1 780 . 1 1 70 70 PRO HD2 H 1 3.763 0.030 . 2 . . . . 70 PRO HD2 . 11247 1 781 . 1 1 70 70 PRO HD3 H 1 3.648 0.030 . 2 . . . . 70 PRO HD3 . 11247 1 782 . 1 1 70 70 PRO HG2 H 1 2.084 0.030 . 2 . . . . 70 PRO HG2 . 11247 1 783 . 1 1 70 70 PRO HG3 H 1 1.867 0.030 . 2 . . . . 70 PRO HG3 . 11247 1 784 . 1 1 70 70 PRO C C 13 177.117 0.300 . 1 . . . . 70 PRO C . 11247 1 785 . 1 1 70 70 PRO CA C 13 65.689 0.300 . 1 . . . . 70 PRO CA . 11247 1 786 . 1 1 70 70 PRO CB C 13 31.537 0.300 . 1 . . . . 70 PRO CB . 11247 1 787 . 1 1 70 70 PRO CD C 13 51.311 0.300 . 1 . . . . 70 PRO CD . 11247 1 788 . 1 1 70 70 PRO CG C 13 28.146 0.300 . 1 . . . . 70 PRO CG . 11247 1 789 . 1 1 71 71 GLU H H 1 7.422 0.030 . 1 . . . . 71 GLU H . 11247 1 790 . 1 1 71 71 GLU HA H 1 4.262 0.030 . 1 . . . . 71 GLU HA . 11247 1 791 . 1 1 71 71 GLU HB2 H 1 2.176 0.030 . 2 . . . . 71 GLU HB2 . 11247 1 792 . 1 1 71 71 GLU HB3 H 1 1.997 0.030 . 2 . . . . 71 GLU HB3 . 11247 1 793 . 1 1 71 71 GLU HG2 H 1 2.278 0.030 . 2 . . . . 71 GLU HG2 . 11247 1 794 . 1 1 71 71 GLU HG3 H 1 2.134 0.030 . 2 . . . . 71 GLU HG3 . 11247 1 795 . 1 1 71 71 GLU C C 13 176.798 0.300 . 1 . . . . 71 GLU C . 11247 1 796 . 1 1 71 71 GLU CA C 13 56.660 0.300 . 1 . . . . 71 GLU CA . 11247 1 797 . 1 1 71 71 GLU CB C 13 29.359 0.300 . 1 . . . . 71 GLU CB . 11247 1 798 . 1 1 71 71 GLU CG C 13 37.256 0.300 . 1 . . . . 71 GLU CG . 11247 1 799 . 1 1 71 71 GLU N N 15 114.011 0.300 . 1 . . . . 71 GLU N . 11247 1 800 . 1 1 72 72 GLY H H 1 8.232 0.030 . 1 . . . . 72 GLY H . 11247 1 801 . 1 1 72 72 GLY HA2 H 1 4.220 0.030 . 2 . . . . 72 GLY HA2 . 11247 1 802 . 1 1 72 72 GLY HA3 H 1 3.354 0.030 . 2 . . . . 72 GLY HA3 . 11247 1 803 . 1 1 72 72 GLY C C 13 173.606 0.300 . 1 . . . . 72 GLY C . 11247 1 804 . 1 1 72 72 GLY CA C 13 45.059 0.300 . 1 . . . . 72 GLY CA . 11247 1 805 . 1 1 72 72 GLY N N 15 108.015 0.300 . 1 . . . . 72 GLY N . 11247 1 806 . 1 1 73 73 GLN H H 1 7.548 0.030 . 1 . . . . 73 GLN H . 11247 1 807 . 1 1 73 73 GLN HA H 1 4.161 0.030 . 1 . . . . 73 GLN HA . 11247 1 808 . 1 1 73 73 GLN HB2 H 1 1.931 0.030 . 2 . . . . 73 GLN HB2 . 11247 1 809 . 1 1 73 73 GLN HB3 H 1 1.908 0.030 . 2 . . . . 73 GLN HB3 . 11247 1 810 . 1 1 73 73 GLN HE21 H 1 7.630 0.030 . 2 . . . . 73 GLN HE21 . 11247 1 811 . 1 1 73 73 GLN HE22 H 1 6.458 0.030 . 2 . . . . 73 GLN HE22 . 11247 1 812 . 1 1 73 73 GLN HG2 H 1 2.326 0.030 . 2 . . . . 73 GLN HG2 . 11247 1 813 . 1 1 73 73 GLN HG3 H 1 2.227 0.030 . 2 . . . . 73 GLN HG3 . 11247 1 814 . 1 1 73 73 GLN C C 13 176.161 0.300 . 1 . . . . 73 GLN C . 11247 1 815 . 1 1 73 73 GLN CA C 13 53.993 0.300 . 1 . . . . 73 GLN CA . 11247 1 816 . 1 1 73 73 GLN CB C 13 29.128 0.300 . 1 . . . . 73 GLN CB . 11247 1 817 . 1 1 73 73 GLN CG C 13 33.006 0.300 . 1 . . . . 73 GLN CG . 11247 1 818 . 1 1 73 73 GLN N N 15 122.467 0.300 . 1 . . . . 73 GLN N . 11247 1 819 . 1 1 73 73 GLN NE2 N 15 114.676 0.300 . 1 . . . . 73 GLN NE2 . 11247 1 820 . 1 1 74 74 TRP H H 1 8.495 0.030 . 1 . . . . 74 TRP H . 11247 1 821 . 1 1 74 74 TRP HA H 1 3.750 0.030 . 1 . . . . 74 TRP HA . 11247 1 822 . 1 1 74 74 TRP HB2 H 1 2.736 0.030 . 2 . . . . 74 TRP HB2 . 11247 1 823 . 1 1 74 74 TRP HB3 H 1 2.526 0.030 . 2 . . . . 74 TRP HB3 . 11247 1 824 . 1 1 74 74 TRP HD1 H 1 6.071 0.030 . 1 . . . . 74 TRP HD1 . 11247 1 825 . 1 1 74 74 TRP HE1 H 1 9.974 0.030 . 1 . . . . 74 TRP HE1 . 11247 1 826 . 1 1 74 74 TRP HE3 H 1 7.142 0.030 . 1 . . . . 74 TRP HE3 . 11247 1 827 . 1 1 74 74 TRP HH2 H 1 7.401 0.030 . 1 . . . . 74 TRP HH2 . 11247 1 828 . 1 1 74 74 TRP HZ2 H 1 6.932 0.030 . 1 . . . . 74 TRP HZ2 . 11247 1 829 . 1 1 74 74 TRP HZ3 H 1 6.919 0.030 . 1 . . . . 74 TRP HZ3 . 11247 1 830 . 1 1 74 74 TRP C C 13 175.567 0.300 . 1 . . . . 74 TRP C . 11247 1 831 . 1 1 74 74 TRP CA C 13 60.754 0.300 . 1 . . . . 74 TRP CA . 11247 1 832 . 1 1 74 74 TRP CB C 13 29.602 0.300 . 1 . . . . 74 TRP CB . 11247 1 833 . 1 1 74 74 TRP CD1 C 13 126.332 0.300 . 1 . . . . 74 TRP CD1 . 11247 1 834 . 1 1 74 74 TRP CE3 C 13 118.004 0.300 . 1 . . . . 74 TRP CE3 . 11247 1 835 . 1 1 74 74 TRP CH2 C 13 125.381 0.300 . 1 . . . . 74 TRP CH2 . 11247 1 836 . 1 1 74 74 TRP CZ2 C 13 116.574 0.300 . 1 . . . . 74 TRP CZ2 . 11247 1 837 . 1 1 74 74 TRP CZ3 C 13 121.893 0.300 . 1 . . . . 74 TRP CZ3 . 11247 1 838 . 1 1 74 74 TRP N N 15 125.861 0.300 . 1 . . . . 74 TRP N . 11247 1 839 . 1 1 74 74 TRP NE1 N 15 129.030 0.300 . 1 . . . . 74 TRP NE1 . 11247 1 840 . 1 1 75 75 THR H H 1 7.806 0.030 . 1 . . . . 75 THR H . 11247 1 841 . 1 1 75 75 THR HA H 1 5.458 0.030 . 1 . . . . 75 THR HA . 11247 1 842 . 1 1 75 75 THR HB H 1 4.011 0.030 . 1 . . . . 75 THR HB . 11247 1 843 . 1 1 75 75 THR HG21 H 1 1.049 0.030 . 1 . . . . 75 THR HG2 . 11247 1 844 . 1 1 75 75 THR HG22 H 1 1.049 0.030 . 1 . . . . 75 THR HG2 . 11247 1 845 . 1 1 75 75 THR HG23 H 1 1.049 0.030 . 1 . . . . 75 THR HG2 . 11247 1 846 . 1 1 75 75 THR C C 13 172.038 0.300 . 1 . . . . 75 THR C . 11247 1 847 . 1 1 75 75 THR CA C 13 59.471 0.300 . 1 . . . . 75 THR CA . 11247 1 848 . 1 1 75 75 THR CB C 13 74.208 0.300 . 1 . . . . 75 THR CB . 11247 1 849 . 1 1 75 75 THR CG2 C 13 21.133 0.300 . 1 . . . . 75 THR CG2 . 11247 1 850 . 1 1 75 75 THR N N 15 111.488 0.300 . 1 . . . . 75 THR N . 11247 1 851 . 1 1 76 76 ILE H H 1 9.622 0.030 . 1 . . . . 76 ILE H . 11247 1 852 . 1 1 76 76 ILE HA H 1 5.414 0.030 . 1 . . . . 76 ILE HA . 11247 1 853 . 1 1 76 76 ILE HB H 1 1.503 0.030 . 1 . . . . 76 ILE HB . 11247 1 854 . 1 1 76 76 ILE HD11 H 1 0.866 0.030 . 1 . . . . 76 ILE HD1 . 11247 1 855 . 1 1 76 76 ILE HD12 H 1 0.866 0.030 . 1 . . . . 76 ILE HD1 . 11247 1 856 . 1 1 76 76 ILE HD13 H 1 0.866 0.030 . 1 . . . . 76 ILE HD1 . 11247 1 857 . 1 1 76 76 ILE HG12 H 1 1.556 0.030 . 2 . . . . 76 ILE HG12 . 11247 1 858 . 1 1 76 76 ILE HG13 H 1 1.008 0.030 . 2 . . . . 76 ILE HG13 . 11247 1 859 . 1 1 76 76 ILE HG21 H 1 0.843 0.030 . 1 . . . . 76 ILE HG2 . 11247 1 860 . 1 1 76 76 ILE HG22 H 1 0.843 0.030 . 1 . . . . 76 ILE HG2 . 11247 1 861 . 1 1 76 76 ILE HG23 H 1 0.843 0.030 . 1 . . . . 76 ILE HG2 . 11247 1 862 . 1 1 76 76 ILE C C 13 171.190 0.300 . 1 . . . . 76 ILE C . 11247 1 863 . 1 1 76 76 ILE CA C 13 59.287 0.300 . 1 . . . . 76 ILE CA . 11247 1 864 . 1 1 76 76 ILE CB C 13 43.874 0.300 . 1 . . . . 76 ILE CB . 11247 1 865 . 1 1 76 76 ILE CD1 C 13 15.797 0.300 . 1 . . . . 76 ILE CD1 . 11247 1 866 . 1 1 76 76 ILE CG1 C 13 30.729 0.300 . 1 . . . . 76 ILE CG1 . 11247 1 867 . 1 1 76 76 ILE CG2 C 13 16.153 0.300 . 1 . . . . 76 ILE CG2 . 11247 1 868 . 1 1 76 76 ILE N N 15 118.346 0.300 . 1 . . . . 76 ILE N . 11247 1 869 . 1 1 77 77 MET H H 1 8.144 0.030 . 1 . . . . 77 MET H . 11247 1 870 . 1 1 77 77 MET HA H 1 4.841 0.030 . 1 . . . . 77 MET HA . 11247 1 871 . 1 1 77 77 MET HB2 H 1 1.970 0.030 . 1 . . . . 77 MET HB2 . 11247 1 872 . 1 1 77 77 MET HB3 H 1 1.970 0.030 . 1 . . . . 77 MET HB3 . 11247 1 873 . 1 1 77 77 MET HE1 H 1 1.864 0.030 . 1 . . . . 77 MET HE . 11247 1 874 . 1 1 77 77 MET HE2 H 1 1.864 0.030 . 1 . . . . 77 MET HE . 11247 1 875 . 1 1 77 77 MET HE3 H 1 1.864 0.030 . 1 . . . . 77 MET HE . 11247 1 876 . 1 1 77 77 MET HG2 H 1 2.313 0.030 . 2 . . . . 77 MET HG2 . 11247 1 877 . 1 1 77 77 MET HG3 H 1 2.036 0.030 . 2 . . . . 77 MET HG3 . 11247 1 878 . 1 1 77 77 MET C C 13 175.080 0.300 . 1 . . . . 77 MET C . 11247 1 879 . 1 1 77 77 MET CA C 13 54.845 0.300 . 1 . . . . 77 MET CA . 11247 1 880 . 1 1 77 77 MET CB C 13 38.325 0.300 . 1 . . . . 77 MET CB . 11247 1 881 . 1 1 77 77 MET CE C 13 17.161 0.300 . 1 . . . . 77 MET CE . 11247 1 882 . 1 1 77 77 MET CG C 13 31.172 0.300 . 1 . . . . 77 MET CG . 11247 1 883 . 1 1 77 77 MET N N 15 123.582 0.300 . 1 . . . . 77 MET N . 11247 1 884 . 1 1 78 78 ASP H H 1 10.642 0.030 . 1 . . . . 78 ASP H . 11247 1 885 . 1 1 78 78 ASP HA H 1 4.596 0.030 . 1 . . . . 78 ASP HA . 11247 1 886 . 1 1 78 78 ASP HB2 H 1 2.812 0.030 . 2 . . . . 78 ASP HB2 . 11247 1 887 . 1 1 78 78 ASP HB3 H 1 2.429 0.030 . 2 . . . . 78 ASP HB3 . 11247 1 888 . 1 1 78 78 ASP C C 13 177.299 0.300 . 1 . . . . 78 ASP C . 11247 1 889 . 1 1 78 78 ASP CA C 13 54.344 0.300 . 1 . . . . 78 ASP CA . 11247 1 890 . 1 1 78 78 ASP CB C 13 42.371 0.300 . 1 . . . . 78 ASP CB . 11247 1 891 . 1 1 78 78 ASP N N 15 126.653 0.300 . 1 . . . . 78 ASP N . 11247 1 892 . 1 1 79 79 ASN H H 1 8.664 0.030 . 1 . . . . 79 ASN H . 11247 1 893 . 1 1 79 79 ASN HA H 1 5.005 0.030 . 1 . . . . 79 ASN HA . 11247 1 894 . 1 1 79 79 ASN HB2 H 1 3.015 0.030 . 2 . . . . 79 ASN HB2 . 11247 1 895 . 1 1 79 79 ASN HB3 H 1 1.899 0.030 . 2 . . . . 79 ASN HB3 . 11247 1 896 . 1 1 79 79 ASN HD21 H 1 7.075 0.030 . 2 . . . . 79 ASN HD21 . 11247 1 897 . 1 1 79 79 ASN HD22 H 1 6.519 0.030 . 2 . . . . 79 ASN HD22 . 11247 1 898 . 1 1 79 79 ASN C C 13 174.135 0.300 . 1 . . . . 79 ASN C . 11247 1 899 . 1 1 79 79 ASN CA C 13 51.962 0.300 . 1 . . . . 79 ASN CA . 11247 1 900 . 1 1 79 79 ASN CB C 13 36.950 0.300 . 1 . . . . 79 ASN CB . 11247 1 901 . 1 1 79 79 ASN N N 15 132.811 0.300 . 1 . . . . 79 ASN N . 11247 1 902 . 1 1 79 79 ASN ND2 N 15 109.406 0.300 . 1 . . . . 79 ASN ND2 . 11247 1 903 . 1 1 80 80 LYS H H 1 7.635 0.030 . 1 . . . . 80 LYS H . 11247 1 904 . 1 1 80 80 LYS HA H 1 3.574 0.030 . 1 . . . . 80 LYS HA . 11247 1 905 . 1 1 80 80 LYS HB2 H 1 2.105 0.030 . 2 . . . . 80 LYS HB2 . 11247 1 906 . 1 1 80 80 LYS HB3 H 1 1.672 0.030 . 2 . . . . 80 LYS HB3 . 11247 1 907 . 1 1 80 80 LYS HD2 H 1 1.702 0.030 . 1 . . . . 80 LYS HD2 . 11247 1 908 . 1 1 80 80 LYS HD3 H 1 1.702 0.030 . 1 . . . . 80 LYS HD3 . 11247 1 909 . 1 1 80 80 LYS HE2 H 1 2.976 0.030 . 1 . . . . 80 LYS HE2 . 11247 1 910 . 1 1 80 80 LYS HE3 H 1 2.976 0.030 . 1 . . . . 80 LYS HE3 . 11247 1 911 . 1 1 80 80 LYS HG2 H 1 1.380 0.030 . 1 . . . . 80 LYS HG2 . 11247 1 912 . 1 1 80 80 LYS HG3 H 1 1.380 0.030 . 1 . . . . 80 LYS HG3 . 11247 1 913 . 1 1 80 80 LYS C C 13 175.433 0.300 . 1 . . . . 80 LYS C . 11247 1 914 . 1 1 80 80 LYS CA C 13 57.270 0.300 . 1 . . . . 80 LYS CA . 11247 1 915 . 1 1 80 80 LYS CB C 13 30.750 0.300 . 1 . . . . 80 LYS CB . 11247 1 916 . 1 1 80 80 LYS CD C 13 29.556 0.300 . 1 . . . . 80 LYS CD . 11247 1 917 . 1 1 80 80 LYS CE C 13 41.974 0.300 . 1 . . . . 80 LYS CE . 11247 1 918 . 1 1 80 80 LYS CG C 13 25.816 0.300 . 1 . . . . 80 LYS CG . 11247 1 919 . 1 1 80 80 LYS N N 15 115.348 0.300 . 1 . . . . 80 LYS N . 11247 1 920 . 1 1 81 81 SER H H 1 8.864 0.030 . 1 . . . . 81 SER H . 11247 1 921 . 1 1 81 81 SER HA H 1 4.043 0.030 . 1 . . . . 81 SER HA . 11247 1 922 . 1 1 81 81 SER HB2 H 1 3.512 0.030 . 2 . . . . 81 SER HB2 . 11247 1 923 . 1 1 81 81 SER HB3 H 1 3.074 0.030 . 2 . . . . 81 SER HB3 . 11247 1 924 . 1 1 81 81 SER C C 13 175.680 0.300 . 1 . . . . 81 SER C . 11247 1 925 . 1 1 81 81 SER CA C 13 59.321 0.300 . 1 . . . . 81 SER CA . 11247 1 926 . 1 1 81 81 SER CB C 13 62.330 0.300 . 1 . . . . 81 SER CB . 11247 1 927 . 1 1 81 81 SER N N 15 116.973 0.300 . 1 . . . . 81 SER N . 11247 1 928 . 1 1 82 82 LEU H H 1 7.314 0.030 . 1 . . . . 82 LEU H . 11247 1 929 . 1 1 82 82 LEU HA H 1 4.222 0.030 . 1 . . . . 82 LEU HA . 11247 1 930 . 1 1 82 82 LEU HB2 H 1 1.896 0.030 . 2 . . . . 82 LEU HB2 . 11247 1 931 . 1 1 82 82 LEU HB3 H 1 1.655 0.030 . 2 . . . . 82 LEU HB3 . 11247 1 932 . 1 1 82 82 LEU HD11 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 11247 1 933 . 1 1 82 82 LEU HD12 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 11247 1 934 . 1 1 82 82 LEU HD13 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 11247 1 935 . 1 1 82 82 LEU HD21 H 1 0.981 0.030 . 1 . . . . 82 LEU HD2 . 11247 1 936 . 1 1 82 82 LEU HD22 H 1 0.981 0.030 . 1 . . . . 82 LEU HD2 . 11247 1 937 . 1 1 82 82 LEU HD23 H 1 0.981 0.030 . 1 . . . . 82 LEU HD2 . 11247 1 938 . 1 1 82 82 LEU HG H 1 1.499 0.030 . 1 . . . . 82 LEU HG . 11247 1 939 . 1 1 82 82 LEU C C 13 179.159 0.300 . 1 . . . . 82 LEU C . 11247 1 940 . 1 1 82 82 LEU CA C 13 58.224 0.300 . 1 . . . . 82 LEU CA . 11247 1 941 . 1 1 82 82 LEU CB C 13 42.171 0.300 . 1 . . . . 82 LEU CB . 11247 1 942 . 1 1 82 82 LEU CD1 C 13 23.138 0.300 . 2 . . . . 82 LEU CD1 . 11247 1 943 . 1 1 82 82 LEU CD2 C 13 25.879 0.300 . 2 . . . . 82 LEU CD2 . 11247 1 944 . 1 1 82 82 LEU CG C 13 26.983 0.300 . 1 . . . . 82 LEU CG . 11247 1 945 . 1 1 82 82 LEU N N 15 122.015 0.300 . 1 . . . . 82 LEU N . 11247 1 946 . 1 1 83 83 ASN H H 1 9.426 0.030 . 1 . . . . 83 ASN H . 11247 1 947 . 1 1 83 83 ASN HA H 1 5.112 0.030 . 1 . . . . 83 ASN HA . 11247 1 948 . 1 1 83 83 ASN HB2 H 1 3.163 0.030 . 2 . . . . 83 ASN HB2 . 11247 1 949 . 1 1 83 83 ASN HB3 H 1 2.888 0.030 . 2 . . . . 83 ASN HB3 . 11247 1 950 . 1 1 83 83 ASN HD21 H 1 7.940 0.030 . 2 . . . . 83 ASN HD21 . 11247 1 951 . 1 1 83 83 ASN HD22 H 1 7.372 0.030 . 2 . . . . 83 ASN HD22 . 11247 1 952 . 1 1 83 83 ASN C C 13 176.087 0.300 . 1 . . . . 83 ASN C . 11247 1 953 . 1 1 83 83 ASN CA C 13 53.980 0.300 . 1 . . . . 83 ASN CA . 11247 1 954 . 1 1 83 83 ASN CB C 13 41.614 0.300 . 1 . . . . 83 ASN CB . 11247 1 955 . 1 1 83 83 ASN N N 15 111.941 0.300 . 1 . . . . 83 ASN N . 11247 1 956 . 1 1 83 83 ASN ND2 N 15 117.829 0.300 . 1 . . . . 83 ASN ND2 . 11247 1 957 . 1 1 84 84 GLY H H 1 7.384 0.030 . 1 . . . . 84 GLY H . 11247 1 958 . 1 1 84 84 GLY HA2 H 1 4.058 0.030 . 2 . . . . 84 GLY HA2 . 11247 1 959 . 1 1 84 84 GLY HA3 H 1 3.698 0.030 . 2 . . . . 84 GLY HA3 . 11247 1 960 . 1 1 84 84 GLY CA C 13 46.032 0.300 . 1 . . . . 84 GLY CA . 11247 1 961 . 1 1 84 84 GLY N N 15 106.765 0.300 . 1 . . . . 84 GLY N . 11247 1 962 . 1 1 85 85 VAL H H 1 8.394 0.030 . 1 . . . . 85 VAL H . 11247 1 963 . 1 1 85 85 VAL HA H 1 4.824 0.030 . 1 . . . . 85 VAL HA . 11247 1 964 . 1 1 85 85 VAL HB H 1 1.721 0.030 . 1 . . . . 85 VAL HB . 11247 1 965 . 1 1 85 85 VAL HG11 H 1 1.142 0.030 . 1 . . . . 85 VAL HG1 . 11247 1 966 . 1 1 85 85 VAL HG12 H 1 1.142 0.030 . 1 . . . . 85 VAL HG1 . 11247 1 967 . 1 1 85 85 VAL HG13 H 1 1.142 0.030 . 1 . . . . 85 VAL HG1 . 11247 1 968 . 1 1 85 85 VAL HG21 H 1 0.889 0.030 . 1 . . . . 85 VAL HG2 . 11247 1 969 . 1 1 85 85 VAL HG22 H 1 0.889 0.030 . 1 . . . . 85 VAL HG2 . 11247 1 970 . 1 1 85 85 VAL HG23 H 1 0.889 0.030 . 1 . . . . 85 VAL HG2 . 11247 1 971 . 1 1 85 85 VAL C C 13 172.832 0.300 . 1 . . . . 85 VAL C . 11247 1 972 . 1 1 85 85 VAL CA C 13 62.266 0.300 . 1 . . . . 85 VAL CA . 11247 1 973 . 1 1 85 85 VAL CB C 13 35.546 0.300 . 1 . . . . 85 VAL CB . 11247 1 974 . 1 1 85 85 VAL CG1 C 13 23.094 0.300 . 2 . . . . 85 VAL CG1 . 11247 1 975 . 1 1 85 85 VAL CG2 C 13 22.311 0.300 . 2 . . . . 85 VAL CG2 . 11247 1 976 . 1 1 85 85 VAL N N 15 121.977 0.300 . 1 . . . . 85 VAL N . 11247 1 977 . 1 1 86 86 TRP H H 1 9.335 0.030 . 1 . . . . 86 TRP H . 11247 1 978 . 1 1 86 86 TRP HA H 1 5.156 0.030 . 1 . . . . 86 TRP HA . 11247 1 979 . 1 1 86 86 TRP HB2 H 1 3.155 0.030 . 2 . . . . 86 TRP HB2 . 11247 1 980 . 1 1 86 86 TRP HB3 H 1 2.761 0.030 . 2 . . . . 86 TRP HB3 . 11247 1 981 . 1 1 86 86 TRP HD1 H 1 7.007 0.030 . 1 . . . . 86 TRP HD1 . 11247 1 982 . 1 1 86 86 TRP HE1 H 1 9.521 0.030 . 1 . . . . 86 TRP HE1 . 11247 1 983 . 1 1 86 86 TRP HE3 H 1 7.204 0.030 . 1 . . . . 86 TRP HE3 . 11247 1 984 . 1 1 86 86 TRP HH2 H 1 7.234 0.030 . 1 . . . . 86 TRP HH2 . 11247 1 985 . 1 1 86 86 TRP HZ2 H 1 7.388 0.030 . 1 . . . . 86 TRP HZ2 . 11247 1 986 . 1 1 86 86 TRP HZ3 H 1 7.190 0.030 . 1 . . . . 86 TRP HZ3 . 11247 1 987 . 1 1 86 86 TRP CA C 13 55.076 0.300 . 1 . . . . 86 TRP CA . 11247 1 988 . 1 1 86 86 TRP CB C 13 30.366 0.300 . 1 . . . . 86 TRP CB . 11247 1 989 . 1 1 86 86 TRP CD1 C 13 127.618 0.300 . 1 . . . . 86 TRP CD1 . 11247 1 990 . 1 1 86 86 TRP CE3 C 13 120.765 0.300 . 1 . . . . 86 TRP CE3 . 11247 1 991 . 1 1 86 86 TRP CH2 C 13 124.755 0.300 . 1 . . . . 86 TRP CH2 . 11247 1 992 . 1 1 86 86 TRP CZ2 C 13 114.259 0.300 . 1 . . . . 86 TRP CZ2 . 11247 1 993 . 1 1 86 86 TRP CZ3 C 13 122.572 0.300 . 1 . . . . 86 TRP CZ3 . 11247 1 994 . 1 1 86 86 TRP N N 15 128.388 0.300 . 1 . . . . 86 TRP N . 11247 1 995 . 1 1 86 86 TRP NE1 N 15 129.153 0.300 . 1 . . . . 86 TRP NE1 . 11247 1 996 . 1 1 87 87 LEU H H 1 9.069 0.030 . 1 . . . . 87 LEU H . 11247 1 997 . 1 1 87 87 LEU HA H 1 5.329 0.030 . 1 . . . . 87 LEU HA . 11247 1 998 . 1 1 87 87 LEU HB2 H 1 1.911 0.030 . 2 . . . . 87 LEU HB2 . 11247 1 999 . 1 1 87 87 LEU HB3 H 1 0.927 0.030 . 2 . . . . 87 LEU HB3 . 11247 1 1000 . 1 1 87 87 LEU HD11 H 1 0.930 0.030 . 1 . . . . 87 LEU HD1 . 11247 1 1001 . 1 1 87 87 LEU HD12 H 1 0.930 0.030 . 1 . . . . 87 LEU HD1 . 11247 1 1002 . 1 1 87 87 LEU HD13 H 1 0.930 0.030 . 1 . . . . 87 LEU HD1 . 11247 1 1003 . 1 1 87 87 LEU HD21 H 1 0.883 0.030 . 1 . . . . 87 LEU HD2 . 11247 1 1004 . 1 1 87 87 LEU HD22 H 1 0.883 0.030 . 1 . . . . 87 LEU HD2 . 11247 1 1005 . 1 1 87 87 LEU HD23 H 1 0.883 0.030 . 1 . . . . 87 LEU HD2 . 11247 1 1006 . 1 1 87 87 LEU HG H 1 1.487 0.030 . 1 . . . . 87 LEU HG . 11247 1 1007 . 1 1 87 87 LEU C C 13 176.308 0.300 . 1 . . . . 87 LEU C . 11247 1 1008 . 1 1 87 87 LEU CA C 13 53.003 0.300 . 1 . . . . 87 LEU CA . 11247 1 1009 . 1 1 87 87 LEU CB C 13 46.477 0.300 . 1 . . . . 87 LEU CB . 11247 1 1010 . 1 1 87 87 LEU CD1 C 13 24.466 0.300 . 2 . . . . 87 LEU CD1 . 11247 1 1011 . 1 1 87 87 LEU CD2 C 13 25.954 0.300 . 2 . . . . 87 LEU CD2 . 11247 1 1012 . 1 1 87 87 LEU CG C 13 28.237 0.300 . 1 . . . . 87 LEU CG . 11247 1 1013 . 1 1 87 87 LEU N N 15 127.216 0.300 . 1 . . . . 87 LEU N . 11247 1 1014 . 1 1 88 88 ASN H H 1 10.464 0.030 . 1 . . . . 88 ASN H . 11247 1 1015 . 1 1 88 88 ASN HA H 1 4.604 0.030 . 1 . . . . 88 ASN HA . 11247 1 1016 . 1 1 88 88 ASN HB2 H 1 3.015 0.030 . 1 . . . . 88 ASN HB2 . 11247 1 1017 . 1 1 88 88 ASN HB3 H 1 3.015 0.030 . 1 . . . . 88 ASN HB3 . 11247 1 1018 . 1 1 88 88 ASN HD21 H 1 7.893 0.030 . 2 . . . . 88 ASN HD21 . 11247 1 1019 . 1 1 88 88 ASN HD22 H 1 7.528 0.030 . 2 . . . . 88 ASN HD22 . 11247 1 1020 . 1 1 88 88 ASN C C 13 174.993 0.300 . 1 . . . . 88 ASN C . 11247 1 1021 . 1 1 88 88 ASN CA C 13 55.189 0.300 . 1 . . . . 88 ASN CA . 11247 1 1022 . 1 1 88 88 ASN CB C 13 37.066 0.300 . 1 . . . . 88 ASN CB . 11247 1 1023 . 1 1 88 88 ASN N N 15 129.000 0.300 . 1 . . . . 88 ASN N . 11247 1 1024 . 1 1 88 88 ASN ND2 N 15 116.712 0.300 . 1 . . . . 88 ASN ND2 . 11247 1 1025 . 1 1 89 89 ARG H H 1 9.551 0.030 . 1 . . . . 89 ARG H . 11247 1 1026 . 1 1 89 89 ARG HA H 1 3.754 0.030 . 1 . . . . 89 ARG HA . 11247 1 1027 . 1 1 89 89 ARG HB2 H 1 2.306 0.030 . 2 . . . . 89 ARG HB2 . 11247 1 1028 . 1 1 89 89 ARG HB3 H 1 2.120 0.030 . 2 . . . . 89 ARG HB3 . 11247 1 1029 . 1 1 89 89 ARG HD2 H 1 3.126 0.030 . 1 . . . . 89 ARG HD2 . 11247 1 1030 . 1 1 89 89 ARG HD3 H 1 3.126 0.030 . 1 . . . . 89 ARG HD3 . 11247 1 1031 . 1 1 89 89 ARG HG2 H 1 1.589 0.030 . 2 . . . . 89 ARG HG2 . 11247 1 1032 . 1 1 89 89 ARG HG3 H 1 1.523 0.030 . 2 . . . . 89 ARG HG3 . 11247 1 1033 . 1 1 89 89 ARG C C 13 174.414 0.300 . 1 . . . . 89 ARG C . 11247 1 1034 . 1 1 89 89 ARG CA C 13 58.305 0.300 . 1 . . . . 89 ARG CA . 11247 1 1035 . 1 1 89 89 ARG CB C 13 26.925 0.300 . 1 . . . . 89 ARG CB . 11247 1 1036 . 1 1 89 89 ARG CD C 13 43.038 0.300 . 1 . . . . 89 ARG CD . 11247 1 1037 . 1 1 89 89 ARG CG C 13 28.052 0.300 . 1 . . . . 89 ARG CG . 11247 1 1038 . 1 1 89 89 ARG N N 15 107.237 0.300 . 1 . . . . 89 ARG N . 11247 1 1039 . 1 1 90 90 ALA H H 1 7.973 0.030 . 1 . . . . 90 ALA H . 11247 1 1040 . 1 1 90 90 ALA HA H 1 4.924 0.030 . 1 . . . . 90 ALA HA . 11247 1 1041 . 1 1 90 90 ALA HB1 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11247 1 1042 . 1 1 90 90 ALA HB2 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11247 1 1043 . 1 1 90 90 ALA HB3 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11247 1 1044 . 1 1 90 90 ALA C C 13 175.957 0.300 . 1 . . . . 90 ALA C . 11247 1 1045 . 1 1 90 90 ALA CA C 13 50.809 0.300 . 1 . . . . 90 ALA CA . 11247 1 1046 . 1 1 90 90 ALA CB C 13 20.870 0.300 . 1 . . . . 90 ALA CB . 11247 1 1047 . 1 1 90 90 ALA N N 15 123.653 0.300 . 1 . . . . 90 ALA N . 11247 1 1048 . 1 1 91 91 ARG H H 1 8.544 0.030 . 1 . . . . 91 ARG H . 11247 1 1049 . 1 1 91 91 ARG HA H 1 3.271 0.030 . 1 . . . . 91 ARG HA . 11247 1 1050 . 1 1 91 91 ARG HB2 H 1 1.135 0.030 . 2 . . . . 91 ARG HB2 . 11247 1 1051 . 1 1 91 91 ARG HB3 H 1 0.022 0.030 . 2 . . . . 91 ARG HB3 . 11247 1 1052 . 1 1 91 91 ARG HD2 H 1 2.457 0.030 . 2 . . . . 91 ARG HD2 . 11247 1 1053 . 1 1 91 91 ARG HD3 H 1 2.433 0.030 . 2 . . . . 91 ARG HD3 . 11247 1 1054 . 1 1 91 91 ARG HE H 1 7.068 0.030 . 1 . . . . 91 ARG HE . 11247 1 1055 . 1 1 91 91 ARG HG2 H 1 1.227 0.030 . 2 . . . . 91 ARG HG2 . 11247 1 1056 . 1 1 91 91 ARG HG3 H 1 0.212 0.030 . 2 . . . . 91 ARG HG3 . 11247 1 1057 . 1 1 91 91 ARG C C 13 177.251 0.300 . 1 . . . . 91 ARG C . 11247 1 1058 . 1 1 91 91 ARG CA C 13 56.535 0.300 . 1 . . . . 91 ARG CA . 11247 1 1059 . 1 1 91 91 ARG CB C 13 29.146 0.300 . 1 . . . . 91 ARG CB . 11247 1 1060 . 1 1 91 91 ARG CD C 13 43.211 0.300 . 1 . . . . 91 ARG CD . 11247 1 1061 . 1 1 91 91 ARG CG C 13 27.436 0.300 . 1 . . . . 91 ARG CG . 11247 1 1062 . 1 1 91 91 ARG N N 15 125.553 0.300 . 1 . . . . 91 ARG N . 11247 1 1063 . 1 1 91 91 ARG NE N 15 86.560 0.300 . 1 . . . . 91 ARG NE . 11247 1 1064 . 1 1 92 92 LEU H H 1 8.506 0.030 . 1 . . . . 92 LEU H . 11247 1 1065 . 1 1 92 92 LEU HA H 1 3.864 0.030 . 1 . . . . 92 LEU HA . 11247 1 1066 . 1 1 92 92 LEU HB2 H 1 1.549 0.030 . 2 . . . . 92 LEU HB2 . 11247 1 1067 . 1 1 92 92 LEU HB3 H 1 1.426 0.030 . 2 . . . . 92 LEU HB3 . 11247 1 1068 . 1 1 92 92 LEU HD11 H 1 0.557 0.030 . 1 . . . . 92 LEU HD1 . 11247 1 1069 . 1 1 92 92 LEU HD12 H 1 0.557 0.030 . 1 . . . . 92 LEU HD1 . 11247 1 1070 . 1 1 92 92 LEU HD13 H 1 0.557 0.030 . 1 . . . . 92 LEU HD1 . 11247 1 1071 . 1 1 92 92 LEU HD21 H 1 -0.266 0.030 . 1 . . . . 92 LEU HD2 . 11247 1 1072 . 1 1 92 92 LEU HD22 H 1 -0.266 0.030 . 1 . . . . 92 LEU HD2 . 11247 1 1073 . 1 1 92 92 LEU HD23 H 1 -0.266 0.030 . 1 . . . . 92 LEU HD2 . 11247 1 1074 . 1 1 92 92 LEU HG H 1 1.302 0.030 . 1 . . . . 92 LEU HG . 11247 1 1075 . 1 1 92 92 LEU C C 13 178.190 0.300 . 1 . . . . 92 LEU C . 11247 1 1076 . 1 1 92 92 LEU CA C 13 54.873 0.300 . 1 . . . . 92 LEU CA . 11247 1 1077 . 1 1 92 92 LEU CB C 13 39.953 0.300 . 1 . . . . 92 LEU CB . 11247 1 1078 . 1 1 92 92 LEU CD1 C 13 25.541 0.300 . 2 . . . . 92 LEU CD1 . 11247 1 1079 . 1 1 92 92 LEU CD2 C 13 19.237 0.300 . 2 . . . . 92 LEU CD2 . 11247 1 1080 . 1 1 92 92 LEU CG C 13 25.546 0.300 . 1 . . . . 92 LEU CG . 11247 1 1081 . 1 1 92 92 LEU N N 15 127.206 0.300 . 1 . . . . 92 LEU N . 11247 1 1082 . 1 1 93 93 GLU H H 1 8.408 0.030 . 1 . . . . 93 GLU H . 11247 1 1083 . 1 1 93 93 GLU HA H 1 4.584 0.030 . 1 . . . . 93 GLU HA . 11247 1 1084 . 1 1 93 93 GLU HB2 H 1 2.109 0.030 . 1 . . . . 93 GLU HB2 . 11247 1 1085 . 1 1 93 93 GLU HB3 H 1 2.109 0.030 . 1 . . . . 93 GLU HB3 . 11247 1 1086 . 1 1 93 93 GLU HG2 H 1 2.418 0.030 . 2 . . . . 93 GLU HG2 . 11247 1 1087 . 1 1 93 93 GLU HG3 H 1 2.360 0.030 . 2 . . . . 93 GLU HG3 . 11247 1 1088 . 1 1 93 93 GLU C C 13 175.139 0.300 . 1 . . . . 93 GLU C . 11247 1 1089 . 1 1 93 93 GLU CA C 13 54.494 0.300 . 1 . . . . 93 GLU CA . 11247 1 1090 . 1 1 93 93 GLU CB C 13 29.593 0.300 . 1 . . . . 93 GLU CB . 11247 1 1091 . 1 1 93 93 GLU CG C 13 35.771 0.300 . 1 . . . . 93 GLU CG . 11247 1 1092 . 1 1 93 93 GLU N N 15 123.626 0.300 . 1 . . . . 93 GLU N . 11247 1 1093 . 1 1 94 94 PRO HA H 1 4.565 0.030 . 1 . . . . 94 PRO HA . 11247 1 1094 . 1 1 94 94 PRO HB2 H 1 2.084 0.030 . 2 . . . . 94 PRO HB2 . 11247 1 1095 . 1 1 94 94 PRO HB3 H 1 1.912 0.030 . 2 . . . . 94 PRO HB3 . 11247 1 1096 . 1 1 94 94 PRO HD2 H 1 3.962 0.030 . 2 . . . . 94 PRO HD2 . 11247 1 1097 . 1 1 94 94 PRO HD3 H 1 3.765 0.030 . 2 . . . . 94 PRO HD3 . 11247 1 1098 . 1 1 94 94 PRO HG2 H 1 2.151 0.030 . 1 . . . . 94 PRO HG2 . 11247 1 1099 . 1 1 94 94 PRO HG3 H 1 2.151 0.030 . 1 . . . . 94 PRO HG3 . 11247 1 1100 . 1 1 94 94 PRO C C 13 176.408 0.300 . 1 . . . . 94 PRO C . 11247 1 1101 . 1 1 94 94 PRO CA C 13 63.889 0.300 . 1 . . . . 94 PRO CA . 11247 1 1102 . 1 1 94 94 PRO CB C 13 32.850 0.300 . 1 . . . . 94 PRO CB . 11247 1 1103 . 1 1 94 94 PRO CD C 13 50.760 0.300 . 1 . . . . 94 PRO CD . 11247 1 1104 . 1 1 94 94 PRO CG C 13 27.644 0.300 . 1 . . . . 94 PRO CG . 11247 1 1105 . 1 1 95 95 LEU H H 1 8.875 0.030 . 1 . . . . 95 LEU H . 11247 1 1106 . 1 1 95 95 LEU HA H 1 4.154 0.030 . 1 . . . . 95 LEU HA . 11247 1 1107 . 1 1 95 95 LEU HB2 H 1 2.238 0.030 . 2 . . . . 95 LEU HB2 . 11247 1 1108 . 1 1 95 95 LEU HB3 H 1 1.684 0.030 . 2 . . . . 95 LEU HB3 . 11247 1 1109 . 1 1 95 95 LEU HD11 H 1 0.979 0.030 . 1 . . . . 95 LEU HD1 . 11247 1 1110 . 1 1 95 95 LEU HD12 H 1 0.979 0.030 . 1 . . . . 95 LEU HD1 . 11247 1 1111 . 1 1 95 95 LEU HD13 H 1 0.979 0.030 . 1 . . . . 95 LEU HD1 . 11247 1 1112 . 1 1 95 95 LEU HD21 H 1 1.044 0.030 . 1 . . . . 95 LEU HD2 . 11247 1 1113 . 1 1 95 95 LEU HD22 H 1 1.044 0.030 . 1 . . . . 95 LEU HD2 . 11247 1 1114 . 1 1 95 95 LEU HD23 H 1 1.044 0.030 . 1 . . . . 95 LEU HD2 . 11247 1 1115 . 1 1 95 95 LEU HG H 1 1.520 0.030 . 1 . . . . 95 LEU HG . 11247 1 1116 . 1 1 95 95 LEU C C 13 174.750 0.300 . 1 . . . . 95 LEU C . 11247 1 1117 . 1 1 95 95 LEU CA C 13 57.371 0.300 . 1 . . . . 95 LEU CA . 11247 1 1118 . 1 1 95 95 LEU CB C 13 38.601 0.300 . 1 . . . . 95 LEU CB . 11247 1 1119 . 1 1 95 95 LEU CD1 C 13 25.703 0.300 . 2 . . . . 95 LEU CD1 . 11247 1 1120 . 1 1 95 95 LEU CD2 C 13 22.769 0.300 . 2 . . . . 95 LEU CD2 . 11247 1 1121 . 1 1 95 95 LEU CG C 13 27.841 0.300 . 1 . . . . 95 LEU CG . 11247 1 1122 . 1 1 95 95 LEU N N 15 114.296 0.300 . 1 . . . . 95 LEU N . 11247 1 1123 . 1 1 96 96 ARG H H 1 7.513 0.030 . 1 . . . . 96 ARG H . 11247 1 1124 . 1 1 96 96 ARG HA H 1 4.563 0.030 . 1 . . . . 96 ARG HA . 11247 1 1125 . 1 1 96 96 ARG HB2 H 1 1.828 0.030 . 2 . . . . 96 ARG HB2 . 11247 1 1126 . 1 1 96 96 ARG HB3 H 1 1.697 0.030 . 2 . . . . 96 ARG HB3 . 11247 1 1127 . 1 1 96 96 ARG HD2 H 1 3.057 0.030 . 1 . . . . 96 ARG HD2 . 11247 1 1128 . 1 1 96 96 ARG HD3 H 1 3.057 0.030 . 1 . . . . 96 ARG HD3 . 11247 1 1129 . 1 1 96 96 ARG HG2 H 1 1.524 0.030 . 2 . . . . 96 ARG HG2 . 11247 1 1130 . 1 1 96 96 ARG HG3 H 1 1.008 0.030 . 2 . . . . 96 ARG HG3 . 11247 1 1131 . 1 1 96 96 ARG C C 13 174.691 0.300 . 1 . . . . 96 ARG C . 11247 1 1132 . 1 1 96 96 ARG CA C 13 54.814 0.300 . 1 . . . . 96 ARG CA . 11247 1 1133 . 1 1 96 96 ARG CB C 13 31.978 0.300 . 1 . . . . 96 ARG CB . 11247 1 1134 . 1 1 96 96 ARG CD C 13 43.343 0.300 . 1 . . . . 96 ARG CD . 11247 1 1135 . 1 1 96 96 ARG CG C 13 26.982 0.300 . 1 . . . . 96 ARG CG . 11247 1 1136 . 1 1 96 96 ARG N N 15 120.001 0.300 . 1 . . . . 96 ARG N . 11247 1 1137 . 1 1 97 97 VAL H H 1 8.543 0.030 . 1 . . . . 97 VAL H . 11247 1 1138 . 1 1 97 97 VAL HA H 1 4.238 0.030 . 1 . . . . 97 VAL HA . 11247 1 1139 . 1 1 97 97 VAL HB H 1 1.876 0.030 . 1 . . . . 97 VAL HB . 11247 1 1140 . 1 1 97 97 VAL HG11 H 1 0.897 0.030 . 1 . . . . 97 VAL HG1 . 11247 1 1141 . 1 1 97 97 VAL HG12 H 1 0.897 0.030 . 1 . . . . 97 VAL HG1 . 11247 1 1142 . 1 1 97 97 VAL HG13 H 1 0.897 0.030 . 1 . . . . 97 VAL HG1 . 11247 1 1143 . 1 1 97 97 VAL HG21 H 1 0.916 0.030 . 1 . . . . 97 VAL HG2 . 11247 1 1144 . 1 1 97 97 VAL HG22 H 1 0.916 0.030 . 1 . . . . 97 VAL HG2 . 11247 1 1145 . 1 1 97 97 VAL HG23 H 1 0.916 0.030 . 1 . . . . 97 VAL HG2 . 11247 1 1146 . 1 1 97 97 VAL C C 13 176.325 0.300 . 1 . . . . 97 VAL C . 11247 1 1147 . 1 1 97 97 VAL CA C 13 63.414 0.300 . 1 . . . . 97 VAL CA . 11247 1 1148 . 1 1 97 97 VAL CB C 13 32.309 0.300 . 1 . . . . 97 VAL CB . 11247 1 1149 . 1 1 97 97 VAL CG1 C 13 22.082 0.300 . 2 . . . . 97 VAL CG1 . 11247 1 1150 . 1 1 97 97 VAL CG2 C 13 21.835 0.300 . 2 . . . . 97 VAL CG2 . 11247 1 1151 . 1 1 97 97 VAL N N 15 125.943 0.300 . 1 . . . . 97 VAL N . 11247 1 1152 . 1 1 98 98 TYR H H 1 9.013 0.030 . 1 . . . . 98 TYR H . 11247 1 1153 . 1 1 98 98 TYR HA H 1 4.823 0.030 . 1 . . . . 98 TYR HA . 11247 1 1154 . 1 1 98 98 TYR HB2 H 1 2.802 0.030 . 1 . . . . 98 TYR HB2 . 11247 1 1155 . 1 1 98 98 TYR HB3 H 1 2.802 0.030 . 1 . . . . 98 TYR HB3 . 11247 1 1156 . 1 1 98 98 TYR HD1 H 1 7.349 0.030 . 1 . . . . 98 TYR HD1 . 11247 1 1157 . 1 1 98 98 TYR HD2 H 1 7.349 0.030 . 1 . . . . 98 TYR HD2 . 11247 1 1158 . 1 1 98 98 TYR HE1 H 1 6.995 0.030 . 1 . . . . 98 TYR HE1 . 11247 1 1159 . 1 1 98 98 TYR HE2 H 1 6.995 0.030 . 1 . . . . 98 TYR HE2 . 11247 1 1160 . 1 1 98 98 TYR C C 13 175.845 0.300 . 1 . . . . 98 TYR C . 11247 1 1161 . 1 1 98 98 TYR CA C 13 57.035 0.300 . 1 . . . . 98 TYR CA . 11247 1 1162 . 1 1 98 98 TYR CB C 13 40.396 0.300 . 1 . . . . 98 TYR CB . 11247 1 1163 . 1 1 98 98 TYR CD1 C 13 134.637 0.300 . 1 . . . . 98 TYR CD1 . 11247 1 1164 . 1 1 98 98 TYR CD2 C 13 134.637 0.300 . 1 . . . . 98 TYR CD2 . 11247 1 1165 . 1 1 98 98 TYR CE1 C 13 118.392 0.300 . 1 . . . . 98 TYR CE1 . 11247 1 1166 . 1 1 98 98 TYR CE2 C 13 118.392 0.300 . 1 . . . . 98 TYR CE2 . 11247 1 1167 . 1 1 98 98 TYR N N 15 126.883 0.300 . 1 . . . . 98 TYR N . 11247 1 1168 . 1 1 99 99 SER H H 1 8.842 0.030 . 1 . . . . 99 SER H . 11247 1 1169 . 1 1 99 99 SER HA H 1 4.550 0.030 . 1 . . . . 99 SER HA . 11247 1 1170 . 1 1 99 99 SER HB2 H 1 3.787 0.030 . 2 . . . . 99 SER HB2 . 11247 1 1171 . 1 1 99 99 SER HB3 H 1 3.663 0.030 . 2 . . . . 99 SER HB3 . 11247 1 1172 . 1 1 99 99 SER C C 13 173.264 0.300 . 1 . . . . 99 SER C . 11247 1 1173 . 1 1 99 99 SER CA C 13 59.624 0.300 . 1 . . . . 99 SER CA . 11247 1 1174 . 1 1 99 99 SER CB C 13 63.546 0.300 . 1 . . . . 99 SER CB . 11247 1 1175 . 1 1 99 99 SER N N 15 119.393 0.300 . 1 . . . . 99 SER N . 11247 1 1176 . 1 1 100 100 ILE H H 1 7.632 0.030 . 1 . . . . 100 ILE H . 11247 1 1177 . 1 1 100 100 ILE HA H 1 4.857 0.030 . 1 . . . . 100 ILE HA . 11247 1 1178 . 1 1 100 100 ILE HB H 1 1.819 0.030 . 1 . . . . 100 ILE HB . 11247 1 1179 . 1 1 100 100 ILE HD11 H 1 0.552 0.030 . 1 . . . . 100 ILE HD1 . 11247 1 1180 . 1 1 100 100 ILE HD12 H 1 0.552 0.030 . 1 . . . . 100 ILE HD1 . 11247 1 1181 . 1 1 100 100 ILE HD13 H 1 0.552 0.030 . 1 . . . . 100 ILE HD1 . 11247 1 1182 . 1 1 100 100 ILE HG12 H 1 1.213 0.030 . 2 . . . . 100 ILE HG12 . 11247 1 1183 . 1 1 100 100 ILE HG13 H 1 0.630 0.030 . 2 . . . . 100 ILE HG13 . 11247 1 1184 . 1 1 100 100 ILE HG21 H 1 0.845 0.030 . 1 . . . . 100 ILE HG2 . 11247 1 1185 . 1 1 100 100 ILE HG22 H 1 0.845 0.030 . 1 . . . . 100 ILE HG2 . 11247 1 1186 . 1 1 100 100 ILE HG23 H 1 0.845 0.030 . 1 . . . . 100 ILE HG2 . 11247 1 1187 . 1 1 100 100 ILE C C 13 173.817 0.300 . 1 . . . . 100 ILE C . 11247 1 1188 . 1 1 100 100 ILE CA C 13 59.423 0.300 . 1 . . . . 100 ILE CA . 11247 1 1189 . 1 1 100 100 ILE CB C 13 40.965 0.300 . 1 . . . . 100 ILE CB . 11247 1 1190 . 1 1 100 100 ILE CD1 C 13 13.650 0.300 . 1 . . . . 100 ILE CD1 . 11247 1 1191 . 1 1 100 100 ILE CG1 C 13 24.946 0.300 . 1 . . . . 100 ILE CG1 . 11247 1 1192 . 1 1 100 100 ILE CG2 C 13 19.116 0.300 . 1 . . . . 100 ILE CG2 . 11247 1 1193 . 1 1 100 100 ILE N N 15 113.851 0.300 . 1 . . . . 100 ILE N . 11247 1 1194 . 1 1 101 101 HIS H H 1 9.226 0.030 . 1 . . . . 101 HIS H . 11247 1 1195 . 1 1 101 101 HIS HA H 1 4.784 0.030 . 1 . . . . 101 HIS HA . 11247 1 1196 . 1 1 101 101 HIS HB2 H 1 3.308 0.030 . 2 . . . . 101 HIS HB2 . 11247 1 1197 . 1 1 101 101 HIS HB3 H 1 2.836 0.030 . 2 . . . . 101 HIS HB3 . 11247 1 1198 . 1 1 101 101 HIS HD2 H 1 7.195 0.030 . 1 . . . . 101 HIS HD2 . 11247 1 1199 . 1 1 101 101 HIS HE1 H 1 7.901 0.030 . 1 . . . . 101 HIS HE1 . 11247 1 1200 . 1 1 101 101 HIS C C 13 173.880 0.300 . 1 . . . . 101 HIS C . 11247 1 1201 . 1 1 101 101 HIS CA C 13 54.858 0.300 . 1 . . . . 101 HIS CA . 11247 1 1202 . 1 1 101 101 HIS CB C 13 33.443 0.300 . 1 . . . . 101 HIS CB . 11247 1 1203 . 1 1 101 101 HIS CD2 C 13 122.712 0.300 . 1 . . . . 101 HIS CD2 . 11247 1 1204 . 1 1 101 101 HIS CE1 C 13 137.515 0.300 . 1 . . . . 101 HIS CE1 . 11247 1 1205 . 1 1 101 101 HIS N N 15 120.792 0.300 . 1 . . . . 101 HIS N . 11247 1 1206 . 1 1 102 102 GLN H H 1 8.988 0.030 . 1 . . . . 102 GLN H . 11247 1 1207 . 1 1 102 102 GLN HA H 1 3.892 0.030 . 1 . . . . 102 GLN HA . 11247 1 1208 . 1 1 102 102 GLN HB2 H 1 2.364 0.030 . 2 . . . . 102 GLN HB2 . 11247 1 1209 . 1 1 102 102 GLN HB3 H 1 2.081 0.030 . 2 . . . . 102 GLN HB3 . 11247 1 1210 . 1 1 102 102 GLN HE21 H 1 7.466 0.030 . 2 . . . . 102 GLN HE21 . 11247 1 1211 . 1 1 102 102 GLN HE22 H 1 7.386 0.030 . 2 . . . . 102 GLN HE22 . 11247 1 1212 . 1 1 102 102 GLN HG2 H 1 2.296 0.030 . 2 . . . . 102 GLN HG2 . 11247 1 1213 . 1 1 102 102 GLN HG3 H 1 2.132 0.030 . 2 . . . . 102 GLN HG3 . 11247 1 1214 . 1 1 102 102 GLN C C 13 177.278 0.300 . 1 . . . . 102 GLN C . 11247 1 1215 . 1 1 102 102 GLN CA C 13 57.834 0.300 . 1 . . . . 102 GLN CA . 11247 1 1216 . 1 1 102 102 GLN CB C 13 28.605 0.300 . 1 . . . . 102 GLN CB . 11247 1 1217 . 1 1 102 102 GLN CG C 13 33.294 0.300 . 1 . . . . 102 GLN CG . 11247 1 1218 . 1 1 102 102 GLN N N 15 120.008 0.300 . 1 . . . . 102 GLN N . 11247 1 1219 . 1 1 102 102 GLN NE2 N 15 114.646 0.300 . 1 . . . . 102 GLN NE2 . 11247 1 1220 . 1 1 103 103 GLY H H 1 9.498 0.030 . 1 . . . . 103 GLY H . 11247 1 1221 . 1 1 103 103 GLY HA2 H 1 4.430 0.030 . 2 . . . . 103 GLY HA2 . 11247 1 1222 . 1 1 103 103 GLY HA3 H 1 4.009 0.030 . 2 . . . . 103 GLY HA3 . 11247 1 1223 . 1 1 103 103 GLY C C 13 174.679 0.300 . 1 . . . . 103 GLY C . 11247 1 1224 . 1 1 103 103 GLY CA C 13 45.013 0.300 . 1 . . . . 103 GLY CA . 11247 1 1225 . 1 1 103 103 GLY N N 15 116.807 0.300 . 1 . . . . 103 GLY N . 11247 1 1226 . 1 1 104 104 ASP H H 1 8.238 0.030 . 1 . . . . 104 ASP H . 11247 1 1227 . 1 1 104 104 ASP HA H 1 5.029 0.030 . 1 . . . . 104 ASP HA . 11247 1 1228 . 1 1 104 104 ASP HB2 H 1 2.895 0.030 . 2 . . . . 104 ASP HB2 . 11247 1 1229 . 1 1 104 104 ASP HB3 H 1 2.495 0.030 . 2 . . . . 104 ASP HB3 . 11247 1 1230 . 1 1 104 104 ASP C C 13 174.796 0.300 . 1 . . . . 104 ASP C . 11247 1 1231 . 1 1 104 104 ASP CA C 13 55.516 0.300 . 1 . . . . 104 ASP CA . 11247 1 1232 . 1 1 104 104 ASP CB C 13 41.905 0.300 . 1 . . . . 104 ASP CB . 11247 1 1233 . 1 1 104 104 ASP N N 15 121.281 0.300 . 1 . . . . 104 ASP N . 11247 1 1234 . 1 1 105 105 TYR H H 1 8.611 0.030 . 1 . . . . 105 TYR H . 11247 1 1235 . 1 1 105 105 TYR HA H 1 5.422 0.030 . 1 . . . . 105 TYR HA . 11247 1 1236 . 1 1 105 105 TYR HB2 H 1 3.071 0.030 . 2 . . . . 105 TYR HB2 . 11247 1 1237 . 1 1 105 105 TYR HB3 H 1 3.007 0.030 . 2 . . . . 105 TYR HB3 . 11247 1 1238 . 1 1 105 105 TYR HD1 H 1 7.108 0.030 . 1 . . . . 105 TYR HD1 . 11247 1 1239 . 1 1 105 105 TYR HD2 H 1 7.108 0.030 . 1 . . . . 105 TYR HD2 . 11247 1 1240 . 1 1 105 105 TYR HE1 H 1 6.643 0.030 . 1 . . . . 105 TYR HE1 . 11247 1 1241 . 1 1 105 105 TYR HE2 H 1 6.643 0.030 . 1 . . . . 105 TYR HE2 . 11247 1 1242 . 1 1 105 105 TYR C C 13 176.055 0.300 . 1 . . . . 105 TYR C . 11247 1 1243 . 1 1 105 105 TYR CA C 13 56.811 0.300 . 1 . . . . 105 TYR CA . 11247 1 1244 . 1 1 105 105 TYR CB C 13 41.488 0.300 . 1 . . . . 105 TYR CB . 11247 1 1245 . 1 1 105 105 TYR CD1 C 13 132.628 0.300 . 1 . . . . 105 TYR CD1 . 11247 1 1246 . 1 1 105 105 TYR CD2 C 13 132.628 0.300 . 1 . . . . 105 TYR CD2 . 11247 1 1247 . 1 1 105 105 TYR CE1 C 13 118.000 0.300 . 1 . . . . 105 TYR CE1 . 11247 1 1248 . 1 1 105 105 TYR CE2 C 13 118.000 0.300 . 1 . . . . 105 TYR CE2 . 11247 1 1249 . 1 1 105 105 TYR N N 15 120.687 0.300 . 1 . . . . 105 TYR N . 11247 1 1250 . 1 1 106 106 ILE H H 1 9.628 0.030 . 1 . . . . 106 ILE H . 11247 1 1251 . 1 1 106 106 ILE HA H 1 5.183 0.030 . 1 . . . . 106 ILE HA . 11247 1 1252 . 1 1 106 106 ILE HB H 1 1.567 0.030 . 1 . . . . 106 ILE HB . 11247 1 1253 . 1 1 106 106 ILE HD11 H 1 0.671 0.030 . 1 . . . . 106 ILE HD1 . 11247 1 1254 . 1 1 106 106 ILE HD12 H 1 0.671 0.030 . 1 . . . . 106 ILE HD1 . 11247 1 1255 . 1 1 106 106 ILE HD13 H 1 0.671 0.030 . 1 . . . . 106 ILE HD1 . 11247 1 1256 . 1 1 106 106 ILE HG12 H 1 1.407 0.030 . 2 . . . . 106 ILE HG12 . 11247 1 1257 . 1 1 106 106 ILE HG13 H 1 0.975 0.030 . 2 . . . . 106 ILE HG13 . 11247 1 1258 . 1 1 106 106 ILE HG21 H 1 0.735 0.030 . 1 . . . . 106 ILE HG2 . 11247 1 1259 . 1 1 106 106 ILE HG22 H 1 0.735 0.030 . 1 . . . . 106 ILE HG2 . 11247 1 1260 . 1 1 106 106 ILE HG23 H 1 0.735 0.030 . 1 . . . . 106 ILE HG2 . 11247 1 1261 . 1 1 106 106 ILE C C 13 174.329 0.300 . 1 . . . . 106 ILE C . 11247 1 1262 . 1 1 106 106 ILE CA C 13 59.171 0.300 . 1 . . . . 106 ILE CA . 11247 1 1263 . 1 1 106 106 ILE CB C 13 41.685 0.300 . 1 . . . . 106 ILE CB . 11247 1 1264 . 1 1 106 106 ILE CD1 C 13 14.274 0.300 . 1 . . . . 106 ILE CD1 . 11247 1 1265 . 1 1 106 106 ILE CG1 C 13 28.175 0.300 . 1 . . . . 106 ILE CG1 . 11247 1 1266 . 1 1 106 106 ILE CG2 C 13 17.410 0.300 . 1 . . . . 106 ILE CG2 . 11247 1 1267 . 1 1 106 106 ILE N N 15 125.729 0.300 . 1 . . . . 106 ILE N . 11247 1 1268 . 1 1 107 107 GLN H H 1 9.329 0.030 . 1 . . . . 107 GLN H . 11247 1 1269 . 1 1 107 107 GLN HA H 1 5.151 0.030 . 1 . . . . 107 GLN HA . 11247 1 1270 . 1 1 107 107 GLN HB2 H 1 2.149 0.030 . 2 . . . . 107 GLN HB2 . 11247 1 1271 . 1 1 107 107 GLN HB3 H 1 1.955 0.030 . 2 . . . . 107 GLN HB3 . 11247 1 1272 . 1 1 107 107 GLN HE21 H 1 7.704 0.030 . 2 . . . . 107 GLN HE21 . 11247 1 1273 . 1 1 107 107 GLN HE22 H 1 6.486 0.030 . 2 . . . . 107 GLN HE22 . 11247 1 1274 . 1 1 107 107 GLN HG2 H 1 2.082 0.030 . 2 . . . . 107 GLN HG2 . 11247 1 1275 . 1 1 107 107 GLN HG3 H 1 2.022 0.030 . 2 . . . . 107 GLN HG3 . 11247 1 1276 . 1 1 107 107 GLN C C 13 174.811 0.300 . 1 . . . . 107 GLN C . 11247 1 1277 . 1 1 107 107 GLN CA C 13 54.075 0.300 . 1 . . . . 107 GLN CA . 11247 1 1278 . 1 1 107 107 GLN CB C 13 33.363 0.300 . 1 . . . . 107 GLN CB . 11247 1 1279 . 1 1 107 107 GLN CG C 13 34.057 0.300 . 1 . . . . 107 GLN CG . 11247 1 1280 . 1 1 107 107 GLN N N 15 126.449 0.300 . 1 . . . . 107 GLN N . 11247 1 1281 . 1 1 107 107 GLN NE2 N 15 113.577 0.300 . 1 . . . . 107 GLN NE2 . 11247 1 1282 . 1 1 108 108 LEU H H 1 8.415 0.030 . 1 . . . . 108 LEU H . 11247 1 1283 . 1 1 108 108 LEU HA H 1 5.012 0.030 . 1 . . . . 108 LEU HA . 11247 1 1284 . 1 1 108 108 LEU HB2 H 1 1.917 0.030 . 2 . . . . 108 LEU HB2 . 11247 1 1285 . 1 1 108 108 LEU HB3 H 1 0.671 0.030 . 2 . . . . 108 LEU HB3 . 11247 1 1286 . 1 1 108 108 LEU HD11 H 1 0.593 0.030 . 1 . . . . 108 LEU HD1 . 11247 1 1287 . 1 1 108 108 LEU HD12 H 1 0.593 0.030 . 1 . . . . 108 LEU HD1 . 11247 1 1288 . 1 1 108 108 LEU HD13 H 1 0.593 0.030 . 1 . . . . 108 LEU HD1 . 11247 1 1289 . 1 1 108 108 LEU HD21 H 1 0.779 0.030 . 1 . . . . 108 LEU HD2 . 11247 1 1290 . 1 1 108 108 LEU HD22 H 1 0.779 0.030 . 1 . . . . 108 LEU HD2 . 11247 1 1291 . 1 1 108 108 LEU HD23 H 1 0.779 0.030 . 1 . . . . 108 LEU HD2 . 11247 1 1292 . 1 1 108 108 LEU HG H 1 1.611 0.030 . 1 . . . . 108 LEU HG . 11247 1 1293 . 1 1 108 108 LEU C C 13 175.286 0.300 . 1 . . . . 108 LEU C . 11247 1 1294 . 1 1 108 108 LEU CA C 13 53.391 0.300 . 1 . . . . 108 LEU CA . 11247 1 1295 . 1 1 108 108 LEU CB C 13 42.134 0.300 . 1 . . . . 108 LEU CB . 11247 1 1296 . 1 1 108 108 LEU CD1 C 13 26.311 0.300 . 2 . . . . 108 LEU CD1 . 11247 1 1297 . 1 1 108 108 LEU CD2 C 13 24.960 0.300 . 2 . . . . 108 LEU CD2 . 11247 1 1298 . 1 1 108 108 LEU CG C 13 27.285 0.300 . 1 . . . . 108 LEU CG . 11247 1 1299 . 1 1 108 108 LEU N N 15 124.645 0.300 . 1 . . . . 108 LEU N . 11247 1 1300 . 1 1 109 109 GLY H H 1 8.290 0.030 . 1 . . . . 109 GLY H . 11247 1 1301 . 1 1 109 109 GLY HA2 H 1 4.081 0.030 . 2 . . . . 109 GLY HA2 . 11247 1 1302 . 1 1 109 109 GLY HA3 H 1 3.588 0.030 . 2 . . . . 109 GLY HA3 . 11247 1 1303 . 1 1 109 109 GLY C C 13 174.853 0.300 . 1 . . . . 109 GLY C . 11247 1 1304 . 1 1 109 109 GLY CA C 13 44.744 0.300 . 1 . . . . 109 GLY CA . 11247 1 1305 . 1 1 109 109 GLY N N 15 108.596 0.300 . 1 . . . . 109 GLY N . 11247 1 1306 . 1 1 110 110 VAL H H 1 7.793 0.030 . 1 . . . . 110 VAL H . 11247 1 1307 . 1 1 110 110 VAL HA H 1 4.523 0.030 . 1 . . . . 110 VAL HA . 11247 1 1308 . 1 1 110 110 VAL HB H 1 2.068 0.030 . 1 . . . . 110 VAL HB . 11247 1 1309 . 1 1 110 110 VAL HG11 H 1 0.979 0.030 . 1 . . . . 110 VAL HG1 . 11247 1 1310 . 1 1 110 110 VAL HG12 H 1 0.979 0.030 . 1 . . . . 110 VAL HG1 . 11247 1 1311 . 1 1 110 110 VAL HG13 H 1 0.979 0.030 . 1 . . . . 110 VAL HG1 . 11247 1 1312 . 1 1 110 110 VAL HG21 H 1 0.727 0.030 . 1 . . . . 110 VAL HG2 . 11247 1 1313 . 1 1 110 110 VAL HG22 H 1 0.727 0.030 . 1 . . . . 110 VAL HG2 . 11247 1 1314 . 1 1 110 110 VAL HG23 H 1 0.727 0.030 . 1 . . . . 110 VAL HG2 . 11247 1 1315 . 1 1 110 110 VAL C C 13 172.864 0.300 . 1 . . . . 110 VAL C . 11247 1 1316 . 1 1 110 110 VAL CA C 13 58.276 0.300 . 1 . . . . 110 VAL CA . 11247 1 1317 . 1 1 110 110 VAL CB C 13 33.152 0.300 . 1 . . . . 110 VAL CB . 11247 1 1318 . 1 1 110 110 VAL CG1 C 13 23.110 0.300 . 2 . . . . 110 VAL CG1 . 11247 1 1319 . 1 1 110 110 VAL CG2 C 13 17.941 0.300 . 2 . . . . 110 VAL CG2 . 11247 1 1320 . 1 1 110 110 VAL N N 15 110.058 0.300 . 1 . . . . 110 VAL N . 11247 1 1321 . 1 1 111 111 PRO HA H 1 4.107 0.030 . 1 . . . . 111 PRO HA . 11247 1 1322 . 1 1 111 111 PRO HB2 H 1 1.668 0.030 . 2 . . . . 111 PRO HB2 . 11247 1 1323 . 1 1 111 111 PRO HB3 H 1 1.622 0.030 . 2 . . . . 111 PRO HB3 . 11247 1 1324 . 1 1 111 111 PRO HD2 H 1 3.284 0.030 . 1 . . . . 111 PRO HD2 . 11247 1 1325 . 1 1 111 111 PRO HD3 H 1 3.284 0.030 . 1 . . . . 111 PRO HD3 . 11247 1 1326 . 1 1 111 111 PRO HG2 H 1 1.780 0.030 . 2 . . . . 111 PRO HG2 . 11247 1 1327 . 1 1 111 111 PRO HG3 H 1 1.365 0.030 . 2 . . . . 111 PRO HG3 . 11247 1 1328 . 1 1 111 111 PRO C C 13 176.876 0.300 . 1 . . . . 111 PRO C . 11247 1 1329 . 1 1 111 111 PRO CA C 13 62.243 0.300 . 1 . . . . 111 PRO CA . 11247 1 1330 . 1 1 111 111 PRO CB C 13 32.367 0.300 . 1 . . . . 111 PRO CB . 11247 1 1331 . 1 1 111 111 PRO CD C 13 50.710 0.300 . 1 . . . . 111 PRO CD . 11247 1 1332 . 1 1 111 111 PRO CG C 13 27.838 0.300 . 1 . . . . 111 PRO CG . 11247 1 1333 . 1 1 112 112 LEU H H 1 8.234 0.030 . 1 . . . . 112 LEU H . 11247 1 1334 . 1 1 112 112 LEU HA H 1 4.246 0.030 . 1 . . . . 112 LEU HA . 11247 1 1335 . 1 1 112 112 LEU HB2 H 1 1.577 0.030 . 2 . . . . 112 LEU HB2 . 11247 1 1336 . 1 1 112 112 LEU HB3 H 1 1.496 0.030 . 2 . . . . 112 LEU HB3 . 11247 1 1337 . 1 1 112 112 LEU HD11 H 1 0.898 0.030 . 1 . . . . 112 LEU HD1 . 11247 1 1338 . 1 1 112 112 LEU HD12 H 1 0.898 0.030 . 1 . . . . 112 LEU HD1 . 11247 1 1339 . 1 1 112 112 LEU HD13 H 1 0.898 0.030 . 1 . . . . 112 LEU HD1 . 11247 1 1340 . 1 1 112 112 LEU HD21 H 1 0.886 0.030 . 1 . . . . 112 LEU HD2 . 11247 1 1341 . 1 1 112 112 LEU HD22 H 1 0.886 0.030 . 1 . . . . 112 LEU HD2 . 11247 1 1342 . 1 1 112 112 LEU HD23 H 1 0.886 0.030 . 1 . . . . 112 LEU HD2 . 11247 1 1343 . 1 1 112 112 LEU HG H 1 1.683 0.030 . 1 . . . . 112 LEU HG . 11247 1 1344 . 1 1 112 112 LEU C C 13 176.539 0.300 . 1 . . . . 112 LEU C . 11247 1 1345 . 1 1 112 112 LEU CA C 13 54.304 0.300 . 1 . . . . 112 LEU CA . 11247 1 1346 . 1 1 112 112 LEU CB C 13 42.686 0.300 . 1 . . . . 112 LEU CB . 11247 1 1347 . 1 1 112 112 LEU CD1 C 13 25.703 0.300 . 2 . . . . 112 LEU CD1 . 11247 1 1348 . 1 1 112 112 LEU CD2 C 13 23.311 0.300 . 2 . . . . 112 LEU CD2 . 11247 1 1349 . 1 1 112 112 LEU CG C 13 27.374 0.300 . 1 . . . . 112 LEU CG . 11247 1 1350 . 1 1 112 112 LEU N N 15 122.520 0.300 . 1 . . . . 112 LEU N . 11247 1 1351 . 1 1 113 113 GLU H H 1 8.255 0.030 . 1 . . . . 113 GLU H . 11247 1 1352 . 1 1 113 113 GLU HA H 1 3.905 0.030 . 1 . . . . 113 GLU HA . 11247 1 1353 . 1 1 113 113 GLU HB2 H 1 1.931 0.030 . 1 . . . . 113 GLU HB2 . 11247 1 1354 . 1 1 113 113 GLU HB3 H 1 1.931 0.030 . 1 . . . . 113 GLU HB3 . 11247 1 1355 . 1 1 113 113 GLU HG2 H 1 2.230 0.030 . 1 . . . . 113 GLU HG2 . 11247 1 1356 . 1 1 113 113 GLU HG3 H 1 2.230 0.030 . 1 . . . . 113 GLU HG3 . 11247 1 1357 . 1 1 113 113 GLU C C 13 176.501 0.300 . 1 . . . . 113 GLU C . 11247 1 1358 . 1 1 113 113 GLU CA C 13 57.888 0.300 . 1 . . . . 113 GLU CA . 11247 1 1359 . 1 1 113 113 GLU CB C 13 29.446 0.300 . 1 . . . . 113 GLU CB . 11247 1 1360 . 1 1 113 113 GLU CG C 13 36.174 0.300 . 1 . . . . 113 GLU CG . 11247 1 1361 . 1 1 113 113 GLU N N 15 118.321 0.300 . 1 . . . . 113 GLU N . 11247 1 1362 . 1 1 114 114 ASN H H 1 8.637 0.030 . 1 . . . . 114 ASN H . 11247 1 1363 . 1 1 114 114 ASN HA H 1 4.379 0.030 . 1 . . . . 114 ASN HA . 11247 1 1364 . 1 1 114 114 ASN HB2 H 1 2.957 0.030 . 1 . . . . 114 ASN HB2 . 11247 1 1365 . 1 1 114 114 ASN HB3 H 1 2.957 0.030 . 1 . . . . 114 ASN HB3 . 11247 1 1366 . 1 1 114 114 ASN HD21 H 1 7.567 0.030 . 2 . . . . 114 ASN HD21 . 11247 1 1367 . 1 1 114 114 ASN HD22 H 1 6.916 0.030 . 2 . . . . 114 ASN HD22 . 11247 1 1368 . 1 1 114 114 ASN C C 13 174.554 0.300 . 1 . . . . 114 ASN C . 11247 1 1369 . 1 1 114 114 ASN CA C 13 54.521 0.300 . 1 . . . . 114 ASN CA . 11247 1 1370 . 1 1 114 114 ASN CB C 13 37.790 0.300 . 1 . . . . 114 ASN CB . 11247 1 1371 . 1 1 114 114 ASN N N 15 115.872 0.300 . 1 . . . . 114 ASN N . 11247 1 1372 . 1 1 114 114 ASN ND2 N 15 113.421 0.300 . 1 . . . . 114 ASN ND2 . 11247 1 1373 . 1 1 115 115 LYS H H 1 7.876 0.030 . 1 . . . . 115 LYS H . 11247 1 1374 . 1 1 115 115 LYS HA H 1 4.494 0.030 . 1 . . . . 115 LYS HA . 11247 1 1375 . 1 1 115 115 LYS HB2 H 1 1.862 0.030 . 1 . . . . 115 LYS HB2 . 11247 1 1376 . 1 1 115 115 LYS HB3 H 1 1.862 0.030 . 1 . . . . 115 LYS HB3 . 11247 1 1377 . 1 1 115 115 LYS HD2 H 1 1.681 0.030 . 2 . . . . 115 LYS HD2 . 11247 1 1378 . 1 1 115 115 LYS HD3 H 1 1.624 0.030 . 2 . . . . 115 LYS HD3 . 11247 1 1379 . 1 1 115 115 LYS HE2 H 1 2.991 0.030 . 2 . . . . 115 LYS HE2 . 11247 1 1380 . 1 1 115 115 LYS HE3 H 1 2.919 0.030 . 2 . . . . 115 LYS HE3 . 11247 1 1381 . 1 1 115 115 LYS HG2 H 1 1.441 0.030 . 2 . . . . 115 LYS HG2 . 11247 1 1382 . 1 1 115 115 LYS HG3 H 1 1.286 0.030 . 2 . . . . 115 LYS HG3 . 11247 1 1383 . 1 1 115 115 LYS C C 13 176.099 0.300 . 1 . . . . 115 LYS C . 11247 1 1384 . 1 1 115 115 LYS CA C 13 54.752 0.300 . 1 . . . . 115 LYS CA . 11247 1 1385 . 1 1 115 115 LYS CB C 13 33.444 0.300 . 1 . . . . 115 LYS CB . 11247 1 1386 . 1 1 115 115 LYS CD C 13 28.247 0.300 . 1 . . . . 115 LYS CD . 11247 1 1387 . 1 1 115 115 LYS CE C 13 42.241 0.300 . 1 . . . . 115 LYS CE . 11247 1 1388 . 1 1 115 115 LYS CG C 13 24.713 0.300 . 1 . . . . 115 LYS CG . 11247 1 1389 . 1 1 115 115 LYS N N 15 118.319 0.300 . 1 . . . . 115 LYS N . 11247 1 1390 . 1 1 116 116 GLU H H 1 8.352 0.030 . 1 . . . . 116 GLU H . 11247 1 1391 . 1 1 116 116 GLU HA H 1 4.154 0.030 . 1 . . . . 116 GLU HA . 11247 1 1392 . 1 1 116 116 GLU HB2 H 1 1.972 0.030 . 2 . . . . 116 GLU HB2 . 11247 1 1393 . 1 1 116 116 GLU HB3 H 1 1.824 0.030 . 2 . . . . 116 GLU HB3 . 11247 1 1394 . 1 1 116 116 GLU HG2 H 1 2.193 0.030 . 2 . . . . 116 GLU HG2 . 11247 1 1395 . 1 1 116 116 GLU HG3 H 1 2.161 0.030 . 2 . . . . 116 GLU HG3 . 11247 1 1396 . 1 1 116 116 GLU C C 13 175.861 0.300 . 1 . . . . 116 GLU C . 11247 1 1397 . 1 1 116 116 GLU CA C 13 57.153 0.300 . 1 . . . . 116 GLU CA . 11247 1 1398 . 1 1 116 116 GLU CB C 13 30.953 0.300 . 1 . . . . 116 GLU CB . 11247 1 1399 . 1 1 116 116 GLU CG C 13 36.481 0.300 . 1 . . . . 116 GLU CG . 11247 1 1400 . 1 1 116 116 GLU N N 15 117.608 0.300 . 1 . . . . 116 GLU N . 11247 1 1401 . 1 1 117 117 ASN H H 1 7.614 0.030 . 1 . . . . 117 ASN H . 11247 1 1402 . 1 1 117 117 ASN HA H 1 4.880 0.030 . 1 . . . . 117 ASN HA . 11247 1 1403 . 1 1 117 117 ASN HB2 H 1 2.679 0.030 . 2 . . . . 117 ASN HB2 . 11247 1 1404 . 1 1 117 117 ASN HB3 H 1 2.329 0.030 . 2 . . . . 117 ASN HB3 . 11247 1 1405 . 1 1 117 117 ASN HD21 H 1 7.922 0.030 . 2 . . . . 117 ASN HD21 . 11247 1 1406 . 1 1 117 117 ASN HD22 H 1 6.724 0.030 . 2 . . . . 117 ASN HD22 . 11247 1 1407 . 1 1 117 117 ASN C C 13 174.851 0.300 . 1 . . . . 117 ASN C . 11247 1 1408 . 1 1 117 117 ASN CA C 13 52.186 0.300 . 1 . . . . 117 ASN CA . 11247 1 1409 . 1 1 117 117 ASN CB C 13 41.296 0.300 . 1 . . . . 117 ASN CB . 11247 1 1410 . 1 1 117 117 ASN N N 15 114.092 0.300 . 1 . . . . 117 ASN N . 11247 1 1411 . 1 1 117 117 ASN ND2 N 15 114.290 0.300 . 1 . . . . 117 ASN ND2 . 11247 1 1412 . 1 1 118 118 ALA H H 1 8.821 0.030 . 1 . . . . 118 ALA H . 11247 1 1413 . 1 1 118 118 ALA HA H 1 3.899 0.030 . 1 . . . . 118 ALA HA . 11247 1 1414 . 1 1 118 118 ALA HB1 H 1 1.007 0.030 . 1 . . . . 118 ALA HB . 11247 1 1415 . 1 1 118 118 ALA HB2 H 1 1.007 0.030 . 1 . . . . 118 ALA HB . 11247 1 1416 . 1 1 118 118 ALA HB3 H 1 1.007 0.030 . 1 . . . . 118 ALA HB . 11247 1 1417 . 1 1 118 118 ALA C C 13 174.952 0.300 . 1 . . . . 118 ALA C . 11247 1 1418 . 1 1 118 118 ALA CA C 13 51.332 0.300 . 1 . . . . 118 ALA CA . 11247 1 1419 . 1 1 118 118 ALA CB C 13 18.561 0.300 . 1 . . . . 118 ALA CB . 11247 1 1420 . 1 1 118 118 ALA N N 15 125.484 0.300 . 1 . . . . 118 ALA N . 11247 1 1421 . 1 1 119 119 GLU H H 1 8.282 0.030 . 1 . . . . 119 GLU H . 11247 1 1422 . 1 1 119 119 GLU HA H 1 3.601 0.030 . 1 . . . . 119 GLU HA . 11247 1 1423 . 1 1 119 119 GLU HB2 H 1 1.775 0.030 . 2 . . . . 119 GLU HB2 . 11247 1 1424 . 1 1 119 119 GLU HB3 H 1 1.584 0.030 . 2 . . . . 119 GLU HB3 . 11247 1 1425 . 1 1 119 119 GLU HG2 H 1 1.697 0.030 . 2 . . . . 119 GLU HG2 . 11247 1 1426 . 1 1 119 119 GLU HG3 H 1 0.883 0.030 . 2 . . . . 119 GLU HG3 . 11247 1 1427 . 1 1 119 119 GLU C C 13 176.421 0.300 . 1 . . . . 119 GLU C . 11247 1 1428 . 1 1 119 119 GLU CA C 13 59.276 0.300 . 1 . . . . 119 GLU CA . 11247 1 1429 . 1 1 119 119 GLU CB C 13 29.822 0.300 . 1 . . . . 119 GLU CB . 11247 1 1430 . 1 1 119 119 GLU CG C 13 34.703 0.300 . 1 . . . . 119 GLU CG . 11247 1 1431 . 1 1 119 119 GLU N N 15 122.551 0.300 . 1 . . . . 119 GLU N . 11247 1 1432 . 1 1 120 120 TYR H H 1 8.438 0.030 . 1 . . . . 120 TYR H . 11247 1 1433 . 1 1 120 120 TYR HA H 1 4.187 0.030 . 1 . . . . 120 TYR HA . 11247 1 1434 . 1 1 120 120 TYR HB2 H 1 2.973 0.030 . 2 . . . . 120 TYR HB2 . 11247 1 1435 . 1 1 120 120 TYR HB3 H 1 2.845 0.030 . 2 . . . . 120 TYR HB3 . 11247 1 1436 . 1 1 120 120 TYR HD1 H 1 7.116 0.030 . 1 . . . . 120 TYR HD1 . 11247 1 1437 . 1 1 120 120 TYR HD2 H 1 7.116 0.030 . 1 . . . . 120 TYR HD2 . 11247 1 1438 . 1 1 120 120 TYR HE1 H 1 6.550 0.030 . 1 . . . . 120 TYR HE1 . 11247 1 1439 . 1 1 120 120 TYR HE2 H 1 6.550 0.030 . 1 . . . . 120 TYR HE2 . 11247 1 1440 . 1 1 120 120 TYR C C 13 172.870 0.300 . 1 . . . . 120 TYR C . 11247 1 1441 . 1 1 120 120 TYR CA C 13 57.753 0.300 . 1 . . . . 120 TYR CA . 11247 1 1442 . 1 1 120 120 TYR CB C 13 37.790 0.300 . 1 . . . . 120 TYR CB . 11247 1 1443 . 1 1 120 120 TYR CD1 C 13 133.450 0.300 . 1 . . . . 120 TYR CD1 . 11247 1 1444 . 1 1 120 120 TYR CD2 C 13 133.450 0.300 . 1 . . . . 120 TYR CD2 . 11247 1 1445 . 1 1 120 120 TYR CE1 C 13 117.735 0.300 . 1 . . . . 120 TYR CE1 . 11247 1 1446 . 1 1 120 120 TYR CE2 C 13 117.735 0.300 . 1 . . . . 120 TYR CE2 . 11247 1 1447 . 1 1 120 120 TYR N N 15 116.848 0.300 . 1 . . . . 120 TYR N . 11247 1 1448 . 1 1 121 121 GLU H H 1 6.898 0.030 . 1 . . . . 121 GLU H . 11247 1 1449 . 1 1 121 121 GLU HA H 1 5.119 0.030 . 1 . . . . 121 GLU HA . 11247 1 1450 . 1 1 121 121 GLU HB2 H 1 1.787 0.030 . 2 . . . . 121 GLU HB2 . 11247 1 1451 . 1 1 121 121 GLU HB3 H 1 1.713 0.030 . 2 . . . . 121 GLU HB3 . 11247 1 1452 . 1 1 121 121 GLU HG2 H 1 2.247 0.030 . 2 . . . . 121 GLU HG2 . 11247 1 1453 . 1 1 121 121 GLU HG3 H 1 2.028 0.030 . 2 . . . . 121 GLU HG3 . 11247 1 1454 . 1 1 121 121 GLU C C 13 174.576 0.300 . 1 . . . . 121 GLU C . 11247 1 1455 . 1 1 121 121 GLU CA C 13 54.086 0.300 . 1 . . . . 121 GLU CA . 11247 1 1456 . 1 1 121 121 GLU CB C 13 32.991 0.300 . 1 . . . . 121 GLU CB . 11247 1 1457 . 1 1 121 121 GLU CG C 13 37.544 0.300 . 1 . . . . 121 GLU CG . 11247 1 1458 . 1 1 121 121 GLU N N 15 121.303 0.300 . 1 . . . . 121 GLU N . 11247 1 1459 . 1 1 122 122 TYR H H 1 9.322 0.030 . 1 . . . . 122 TYR H . 11247 1 1460 . 1 1 122 122 TYR HA H 1 5.397 0.030 . 1 . . . . 122 TYR HA . 11247 1 1461 . 1 1 122 122 TYR HB2 H 1 2.406 0.030 . 2 . . . . 122 TYR HB2 . 11247 1 1462 . 1 1 122 122 TYR HB3 H 1 2.243 0.030 . 2 . . . . 122 TYR HB3 . 11247 1 1463 . 1 1 122 122 TYR HD1 H 1 6.450 0.030 . 1 . . . . 122 TYR HD1 . 11247 1 1464 . 1 1 122 122 TYR HD2 H 1 6.450 0.030 . 1 . . . . 122 TYR HD2 . 11247 1 1465 . 1 1 122 122 TYR HE1 H 1 6.869 0.030 . 1 . . . . 122 TYR HE1 . 11247 1 1466 . 1 1 122 122 TYR HE2 H 1 6.869 0.030 . 1 . . . . 122 TYR HE2 . 11247 1 1467 . 1 1 122 122 TYR C C 13 173.887 0.300 . 1 . . . . 122 TYR C . 11247 1 1468 . 1 1 122 122 TYR CA C 13 56.234 0.300 . 1 . . . . 122 TYR CA . 11247 1 1469 . 1 1 122 122 TYR CB C 13 44.831 0.300 . 1 . . . . 122 TYR CB . 11247 1 1470 . 1 1 122 122 TYR CD1 C 13 132.862 0.300 . 1 . . . . 122 TYR CD1 . 11247 1 1471 . 1 1 122 122 TYR CD2 C 13 132.862 0.300 . 1 . . . . 122 TYR CD2 . 11247 1 1472 . 1 1 122 122 TYR N N 15 119.984 0.300 . 1 . . . . 122 TYR N . 11247 1 1473 . 1 1 123 123 GLU H H 1 8.858 0.030 . 1 . . . . 123 GLU H . 11247 1 1474 . 1 1 123 123 GLU HA H 1 4.949 0.030 . 1 . . . . 123 GLU HA . 11247 1 1475 . 1 1 123 123 GLU HB2 H 1 1.687 0.030 . 2 . . . . 123 GLU HB2 . 11247 1 1476 . 1 1 123 123 GLU HB3 H 1 1.466 0.030 . 2 . . . . 123 GLU HB3 . 11247 1 1477 . 1 1 123 123 GLU HG2 H 1 1.896 0.030 . 2 . . . . 123 GLU HG2 . 11247 1 1478 . 1 1 123 123 GLU HG3 H 1 1.759 0.030 . 2 . . . . 123 GLU HG3 . 11247 1 1479 . 1 1 123 123 GLU C C 13 176.082 0.300 . 1 . . . . 123 GLU C . 11247 1 1480 . 1 1 123 123 GLU CA C 13 53.392 0.300 . 1 . . . . 123 GLU CA . 11247 1 1481 . 1 1 123 123 GLU CB C 13 32.980 0.300 . 1 . . . . 123 GLU CB . 11247 1 1482 . 1 1 123 123 GLU CG C 13 36.276 0.300 . 1 . . . . 123 GLU CG . 11247 1 1483 . 1 1 123 123 GLU N N 15 121.038 0.300 . 1 . . . . 123 GLU N . 11247 1 1484 . 1 1 124 124 VAL H H 1 9.021 0.030 . 1 . . . . 124 VAL H . 11247 1 1485 . 1 1 124 124 VAL HA H 1 4.118 0.030 . 1 . . . . 124 VAL HA . 11247 1 1486 . 1 1 124 124 VAL HB H 1 2.382 0.030 . 1 . . . . 124 VAL HB . 11247 1 1487 . 1 1 124 124 VAL HG11 H 1 0.698 0.030 . 1 . . . . 124 VAL HG1 . 11247 1 1488 . 1 1 124 124 VAL HG12 H 1 0.698 0.030 . 1 . . . . 124 VAL HG1 . 11247 1 1489 . 1 1 124 124 VAL HG13 H 1 0.698 0.030 . 1 . . . . 124 VAL HG1 . 11247 1 1490 . 1 1 124 124 VAL HG21 H 1 0.818 0.030 . 1 . . . . 124 VAL HG2 . 11247 1 1491 . 1 1 124 124 VAL HG22 H 1 0.818 0.030 . 1 . . . . 124 VAL HG2 . 11247 1 1492 . 1 1 124 124 VAL HG23 H 1 0.818 0.030 . 1 . . . . 124 VAL HG2 . 11247 1 1493 . 1 1 124 124 VAL C C 13 175.508 0.300 . 1 . . . . 124 VAL C . 11247 1 1494 . 1 1 124 124 VAL CA C 13 62.967 0.300 . 1 . . . . 124 VAL CA . 11247 1 1495 . 1 1 124 124 VAL CB C 13 30.826 0.300 . 1 . . . . 124 VAL CB . 11247 1 1496 . 1 1 124 124 VAL CG1 C 13 21.842 0.300 . 2 . . . . 124 VAL CG1 . 11247 1 1497 . 1 1 124 124 VAL CG2 C 13 22.701 0.300 . 2 . . . . 124 VAL CG2 . 11247 1 1498 . 1 1 124 124 VAL N N 15 127.988 0.300 . 1 . . . . 124 VAL N . 11247 1 1499 . 1 1 125 125 THR H H 1 8.887 0.030 . 1 . . . . 125 THR H . 11247 1 1500 . 1 1 125 125 THR HA H 1 4.758 0.030 . 1 . . . . 125 THR HA . 11247 1 1501 . 1 1 125 125 THR HB H 1 3.808 0.030 . 1 . . . . 125 THR HB . 11247 1 1502 . 1 1 125 125 THR HG21 H 1 0.866 0.030 . 1 . . . . 125 THR HG2 . 11247 1 1503 . 1 1 125 125 THR HG22 H 1 0.866 0.030 . 1 . . . . 125 THR HG2 . 11247 1 1504 . 1 1 125 125 THR HG23 H 1 0.866 0.030 . 1 . . . . 125 THR HG2 . 11247 1 1505 . 1 1 125 125 THR C C 13 169.975 0.300 . 1 . . . . 125 THR C . 11247 1 1506 . 1 1 125 125 THR CA C 13 59.677 0.300 . 1 . . . . 125 THR CA . 11247 1 1507 . 1 1 125 125 THR CB C 13 70.355 0.300 . 1 . . . . 125 THR CB . 11247 1 1508 . 1 1 125 125 THR CG2 C 13 20.368 0.300 . 1 . . . . 125 THR CG2 . 11247 1 1509 . 1 1 125 125 THR N N 15 123.110 0.300 . 1 . . . . 125 THR N . 11247 1 1510 . 1 1 126 126 GLU H H 1 7.849 0.030 . 1 . . . . 126 GLU H . 11247 1 1511 . 1 1 126 126 GLU HA H 1 4.490 0.030 . 1 . . . . 126 GLU HA . 11247 1 1512 . 1 1 126 126 GLU HB2 H 1 1.324 0.030 . 2 . . . . 126 GLU HB2 . 11247 1 1513 . 1 1 126 126 GLU HB3 H 1 -0.058 0.030 . 2 . . . . 126 GLU HB3 . 11247 1 1514 . 1 1 126 126 GLU HG2 H 1 1.163 0.030 . 2 . . . . 126 GLU HG2 . 11247 1 1515 . 1 1 126 126 GLU HG3 H 1 1.009 0.030 . 2 . . . . 126 GLU HG3 . 11247 1 1516 . 1 1 126 126 GLU C C 13 175.422 0.300 . 1 . . . . 126 GLU C . 11247 1 1517 . 1 1 126 126 GLU CA C 13 54.658 0.300 . 1 . . . . 126 GLU CA . 11247 1 1518 . 1 1 126 126 GLU CB C 13 30.605 0.300 . 1 . . . . 126 GLU CB . 11247 1 1519 . 1 1 126 126 GLU CG C 13 36.227 0.300 . 1 . . . . 126 GLU CG . 11247 1 1520 . 1 1 126 126 GLU N N 15 128.677 0.300 . 1 . . . . 126 GLU N . 11247 1 1521 . 1 1 127 127 GLU H H 1 8.352 0.030 . 1 . . . . 127 GLU H . 11247 1 1522 . 1 1 127 127 GLU HA H 1 4.820 0.030 . 1 . . . . 127 GLU HA . 11247 1 1523 . 1 1 127 127 GLU HB2 H 1 2.162 0.030 . 2 . . . . 127 GLU HB2 . 11247 1 1524 . 1 1 127 127 GLU HB3 H 1 1.506 0.030 . 2 . . . . 127 GLU HB3 . 11247 1 1525 . 1 1 127 127 GLU HG2 H 1 2.216 0.030 . 2 . . . . 127 GLU HG2 . 11247 1 1526 . 1 1 127 127 GLU HG3 H 1 2.164 0.030 . 2 . . . . 127 GLU HG3 . 11247 1 1527 . 1 1 127 127 GLU C C 13 174.796 0.300 . 1 . . . . 127 GLU C . 11247 1 1528 . 1 1 127 127 GLU CA C 13 53.468 0.300 . 1 . . . . 127 GLU CA . 11247 1 1529 . 1 1 127 127 GLU CB C 13 35.397 0.300 . 1 . . . . 127 GLU CB . 11247 1 1530 . 1 1 127 127 GLU CG C 13 35.744 0.300 . 1 . . . . 127 GLU CG . 11247 1 1531 . 1 1 127 127 GLU N N 15 123.464 0.300 . 1 . . . . 127 GLU N . 11247 1 1532 . 1 1 128 128 ASP H H 1 9.150 0.030 . 1 . . . . 128 ASP H . 11247 1 1533 . 1 1 128 128 ASP HA H 1 4.845 0.030 . 1 . . . . 128 ASP HA . 11247 1 1534 . 1 1 128 128 ASP HB2 H 1 2.954 0.030 . 2 . . . . 128 ASP HB2 . 11247 1 1535 . 1 1 128 128 ASP HB3 H 1 2.740 0.030 . 2 . . . . 128 ASP HB3 . 11247 1 1536 . 1 1 128 128 ASP C C 13 177.743 0.300 . 1 . . . . 128 ASP C . 11247 1 1537 . 1 1 128 128 ASP CA C 13 54.757 0.300 . 1 . . . . 128 ASP CA . 11247 1 1538 . 1 1 128 128 ASP CB C 13 41.534 0.300 . 1 . . . . 128 ASP CB . 11247 1 1539 . 1 1 128 128 ASP N N 15 120.375 0.300 . 1 . . . . 128 ASP N . 11247 1 1540 . 1 1 129 129 TRP H H 1 8.863 0.030 . 1 . . . . 129 TRP H . 11247 1 1541 . 1 1 129 129 TRP HA H 1 4.307 0.030 . 1 . . . . 129 TRP HA . 11247 1 1542 . 1 1 129 129 TRP HB2 H 1 3.370 0.030 . 2 . . . . 129 TRP HB2 . 11247 1 1543 . 1 1 129 129 TRP HB3 H 1 3.124 0.030 . 2 . . . . 129 TRP HB3 . 11247 1 1544 . 1 1 129 129 TRP HD1 H 1 7.051 0.030 . 1 . . . . 129 TRP HD1 . 11247 1 1545 . 1 1 129 129 TRP HE1 H 1 9.795 0.030 . 1 . . . . 129 TRP HE1 . 11247 1 1546 . 1 1 129 129 TRP HE3 H 1 7.476 0.030 . 1 . . . . 129 TRP HE3 . 11247 1 1547 . 1 1 129 129 TRP HH2 H 1 7.195 0.030 . 1 . . . . 129 TRP HH2 . 11247 1 1548 . 1 1 129 129 TRP HZ2 H 1 7.405 0.030 . 1 . . . . 129 TRP HZ2 . 11247 1 1549 . 1 1 129 129 TRP HZ3 H 1 7.105 0.030 . 1 . . . . 129 TRP HZ3 . 11247 1 1550 . 1 1 129 129 TRP C C 13 176.856 0.300 . 1 . . . . 129 TRP C . 11247 1 1551 . 1 1 129 129 TRP CA C 13 60.648 0.300 . 1 . . . . 129 TRP CA . 11247 1 1552 . 1 1 129 129 TRP CB C 13 29.910 0.300 . 1 . . . . 129 TRP CB . 11247 1 1553 . 1 1 129 129 TRP CD1 C 13 126.400 0.300 . 1 . . . . 129 TRP CD1 . 11247 1 1554 . 1 1 129 129 TRP CE3 C 13 120.411 0.300 . 1 . . . . 129 TRP CE3 . 11247 1 1555 . 1 1 129 129 TRP CH2 C 13 124.381 0.300 . 1 . . . . 129 TRP CH2 . 11247 1 1556 . 1 1 129 129 TRP CZ2 C 13 114.972 0.300 . 1 . . . . 129 TRP CZ2 . 11247 1 1557 . 1 1 129 129 TRP CZ3 C 13 121.647 0.300 . 1 . . . . 129 TRP CZ3 . 11247 1 1558 . 1 1 129 129 TRP N N 15 125.330 0.300 . 1 . . . . 129 TRP N . 11247 1 1559 . 1 1 129 129 TRP NE1 N 15 128.276 0.300 . 1 . . . . 129 TRP NE1 . 11247 1 1560 . 1 1 130 130 GLU H H 1 9.080 0.030 . 1 . . . . 130 GLU H . 11247 1 1561 . 1 1 130 130 GLU HA H 1 3.877 0.030 . 1 . . . . 130 GLU HA . 11247 1 1562 . 1 1 130 130 GLU HB2 H 1 2.088 0.030 . 2 . . . . 130 GLU HB2 . 11247 1 1563 . 1 1 130 130 GLU HB3 H 1 2.046 0.030 . 2 . . . . 130 GLU HB3 . 11247 1 1564 . 1 1 130 130 GLU HG2 H 1 2.437 0.030 . 2 . . . . 130 GLU HG2 . 11247 1 1565 . 1 1 130 130 GLU HG3 H 1 2.399 0.030 . 2 . . . . 130 GLU HG3 . 11247 1 1566 . 1 1 130 130 GLU C C 13 178.019 0.300 . 1 . . . . 130 GLU C . 11247 1 1567 . 1 1 130 130 GLU CA C 13 59.495 0.300 . 1 . . . . 130 GLU CA . 11247 1 1568 . 1 1 130 130 GLU CB C 13 29.274 0.300 . 1 . . . . 130 GLU CB . 11247 1 1569 . 1 1 130 130 GLU CG C 13 37.093 0.300 . 1 . . . . 130 GLU CG . 11247 1 1570 . 1 1 130 130 GLU N N 15 114.065 0.300 . 1 . . . . 130 GLU N . 11247 1 1571 . 1 1 131 131 THR H H 1 7.381 0.030 . 1 . . . . 131 THR H . 11247 1 1572 . 1 1 131 131 THR HA H 1 3.896 0.030 . 1 . . . . 131 THR HA . 11247 1 1573 . 1 1 131 131 THR HB H 1 4.409 0.030 . 1 . . . . 131 THR HB . 11247 1 1574 . 1 1 131 131 THR HG21 H 1 1.251 0.030 . 1 . . . . 131 THR HG2 . 11247 1 1575 . 1 1 131 131 THR HG22 H 1 1.251 0.030 . 1 . . . . 131 THR HG2 . 11247 1 1576 . 1 1 131 131 THR HG23 H 1 1.251 0.030 . 1 . . . . 131 THR HG2 . 11247 1 1577 . 1 1 131 131 THR C C 13 174.481 0.300 . 1 . . . . 131 THR C . 11247 1 1578 . 1 1 131 131 THR CA C 13 64.750 0.300 . 1 . . . . 131 THR CA . 11247 1 1579 . 1 1 131 131 THR CB C 13 69.014 0.300 . 1 . . . . 131 THR CB . 11247 1 1580 . 1 1 131 131 THR CG2 C 13 22.035 0.300 . 1 . . . . 131 THR CG2 . 11247 1 1581 . 1 1 131 131 THR N N 15 114.379 0.300 . 1 . . . . 131 THR N . 11247 1 1582 . 1 1 132 132 ILE H H 1 7.275 0.030 . 1 . . . . 132 ILE H . 11247 1 1583 . 1 1 132 132 ILE HA H 1 3.548 0.030 . 1 . . . . 132 ILE HA . 11247 1 1584 . 1 1 132 132 ILE HB H 1 1.572 0.030 . 1 . . . . 132 ILE HB . 11247 1 1585 . 1 1 132 132 ILE HD11 H 1 0.745 0.030 . 1 . . . . 132 ILE HD1 . 11247 1 1586 . 1 1 132 132 ILE HD12 H 1 0.745 0.030 . 1 . . . . 132 ILE HD1 . 11247 1 1587 . 1 1 132 132 ILE HD13 H 1 0.745 0.030 . 1 . . . . 132 ILE HD1 . 11247 1 1588 . 1 1 132 132 ILE HG12 H 1 1.545 0.030 . 2 . . . . 132 ILE HG12 . 11247 1 1589 . 1 1 132 132 ILE HG13 H 1 1.206 0.030 . 2 . . . . 132 ILE HG13 . 11247 1 1590 . 1 1 132 132 ILE HG21 H 1 0.784 0.030 . 1 . . . . 132 ILE HG2 . 11247 1 1591 . 1 1 132 132 ILE HG22 H 1 0.784 0.030 . 1 . . . . 132 ILE HG2 . 11247 1 1592 . 1 1 132 132 ILE HG23 H 1 0.784 0.030 . 1 . . . . 132 ILE HG2 . 11247 1 1593 . 1 1 132 132 ILE C C 13 177.249 0.300 . 1 . . . . 132 ILE C . 11247 1 1594 . 1 1 132 132 ILE CA C 13 63.832 0.300 . 1 . . . . 132 ILE CA . 11247 1 1595 . 1 1 132 132 ILE CB C 13 39.690 0.300 . 1 . . . . 132 ILE CB . 11247 1 1596 . 1 1 132 132 ILE CD1 C 13 15.070 0.300 . 1 . . . . 132 ILE CD1 . 11247 1 1597 . 1 1 132 132 ILE CG1 C 13 27.797 0.300 . 1 . . . . 132 ILE CG1 . 11247 1 1598 . 1 1 132 132 ILE CG2 C 13 18.647 0.300 . 1 . . . . 132 ILE CG2 . 11247 1 1599 . 1 1 132 132 ILE N N 15 116.846 0.300 . 1 . . . . 132 ILE N . 11247 1 1600 . 1 1 133 133 TYR H H 1 7.959 0.030 . 1 . . . . 133 TYR H . 11247 1 1601 . 1 1 133 133 TYR HA H 1 3.701 0.030 . 1 . . . . 133 TYR HA . 11247 1 1602 . 1 1 133 133 TYR HB2 H 1 2.250 0.030 . 2 . . . . 133 TYR HB2 . 11247 1 1603 . 1 1 133 133 TYR HB3 H 1 2.188 0.030 . 2 . . . . 133 TYR HB3 . 11247 1 1604 . 1 1 133 133 TYR HD1 H 1 6.860 0.030 . 1 . . . . 133 TYR HD1 . 11247 1 1605 . 1 1 133 133 TYR HD2 H 1 6.860 0.030 . 1 . . . . 133 TYR HD2 . 11247 1 1606 . 1 1 133 133 TYR HE1 H 1 6.811 0.030 . 1 . . . . 133 TYR HE1 . 11247 1 1607 . 1 1 133 133 TYR HE2 H 1 6.811 0.030 . 1 . . . . 133 TYR HE2 . 11247 1 1608 . 1 1 133 133 TYR C C 13 174.200 0.300 . 1 . . . . 133 TYR C . 11247 1 1609 . 1 1 133 133 TYR CA C 13 62.776 0.300 . 1 . . . . 133 TYR CA . 11247 1 1610 . 1 1 133 133 TYR CB C 13 35.398 0.300 . 1 . . . . 133 TYR CB . 11247 1 1611 . 1 1 133 133 TYR CD1 C 13 133.080 0.300 . 1 . . . . 133 TYR CD1 . 11247 1 1612 . 1 1 133 133 TYR CD2 C 13 133.080 0.300 . 1 . . . . 133 TYR CD2 . 11247 1 1613 . 1 1 133 133 TYR CE1 C 13 118.036 0.300 . 1 . . . . 133 TYR CE1 . 11247 1 1614 . 1 1 133 133 TYR CE2 C 13 118.036 0.300 . 1 . . . . 133 TYR CE2 . 11247 1 1615 . 1 1 133 133 TYR N N 15 117.898 0.300 . 1 . . . . 133 TYR N . 11247 1 1616 . 1 1 134 134 PRO HA H 1 4.131 0.030 . 1 . . . . 134 PRO HA . 11247 1 1617 . 1 1 134 134 PRO HB2 H 1 2.182 0.030 . 2 . . . . 134 PRO HB2 . 11247 1 1618 . 1 1 134 134 PRO HB3 H 1 1.688 0.030 . 2 . . . . 134 PRO HB3 . 11247 1 1619 . 1 1 134 134 PRO HD2 H 1 3.189 0.030 . 2 . . . . 134 PRO HD2 . 11247 1 1620 . 1 1 134 134 PRO HD3 H 1 3.143 0.030 . 2 . . . . 134 PRO HD3 . 11247 1 1621 . 1 1 134 134 PRO HG2 H 1 1.786 0.030 . 2 . . . . 134 PRO HG2 . 11247 1 1622 . 1 1 134 134 PRO HG3 H 1 1.668 0.030 . 2 . . . . 134 PRO HG3 . 11247 1 1623 . 1 1 134 134 PRO C C 13 177.083 0.300 . 1 . . . . 134 PRO C . 11247 1 1624 . 1 1 134 134 PRO CA C 13 64.947 0.300 . 1 . . . . 134 PRO CA . 11247 1 1625 . 1 1 134 134 PRO CB C 13 31.326 0.300 . 1 . . . . 134 PRO CB . 11247 1 1626 . 1 1 134 134 PRO CD C 13 50.270 0.300 . 1 . . . . 134 PRO CD . 11247 1 1627 . 1 1 134 134 PRO CG C 13 27.778 0.300 . 1 . . . . 134 PRO CG . 11247 1 1628 . 1 1 135 135 CYS H H 1 7.418 0.030 . 1 . . . . 135 CYS H . 11247 1 1629 . 1 1 135 135 CYS HA H 1 3.933 0.030 . 1 . . . . 135 CYS HA . 11247 1 1630 . 1 1 135 135 CYS HB2 H 1 1.135 0.030 . 2 . . . . 135 CYS HB2 . 11247 1 1631 . 1 1 135 135 CYS HB3 H 1 0.890 0.030 . 2 . . . . 135 CYS HB3 . 11247 1 1632 . 1 1 135 135 CYS C C 13 173.862 0.300 . 1 . . . . 135 CYS C . 11247 1 1633 . 1 1 135 135 CYS CA C 13 56.340 0.300 . 1 . . . . 135 CYS CA . 11247 1 1634 . 1 1 135 135 CYS CB C 13 26.905 0.300 . 1 . . . . 135 CYS CB . 11247 1 1635 . 1 1 135 135 CYS N N 15 114.890 0.300 . 1 . . . . 135 CYS N . 11247 1 1636 . 1 1 136 136 LEU H H 1 6.753 0.030 . 1 . . . . 136 LEU H . 11247 1 1637 . 1 1 136 136 LEU HA H 1 4.120 0.030 . 1 . . . . 136 LEU HA . 11247 1 1638 . 1 1 136 136 LEU HB2 H 1 1.589 0.030 . 2 . . . . 136 LEU HB2 . 11247 1 1639 . 1 1 136 136 LEU HB3 H 1 1.529 0.030 . 2 . . . . 136 LEU HB3 . 11247 1 1640 . 1 1 136 136 LEU HD11 H 1 0.934 0.030 . 1 . . . . 136 LEU HD1 . 11247 1 1641 . 1 1 136 136 LEU HD12 H 1 0.934 0.030 . 1 . . . . 136 LEU HD1 . 11247 1 1642 . 1 1 136 136 LEU HD13 H 1 0.934 0.030 . 1 . . . . 136 LEU HD1 . 11247 1 1643 . 1 1 136 136 LEU HD21 H 1 0.728 0.030 . 1 . . . . 136 LEU HD2 . 11247 1 1644 . 1 1 136 136 LEU HD22 H 1 0.728 0.030 . 1 . . . . 136 LEU HD2 . 11247 1 1645 . 1 1 136 136 LEU HD23 H 1 0.728 0.030 . 1 . . . . 136 LEU HD2 . 11247 1 1646 . 1 1 136 136 LEU HG H 1 1.727 0.030 . 1 . . . . 136 LEU HG . 11247 1 1647 . 1 1 136 136 LEU C C 13 179.460 0.300 . 1 . . . . 136 LEU C . 11247 1 1648 . 1 1 136 136 LEU CA C 13 55.305 0.300 . 1 . . . . 136 LEU CA . 11247 1 1649 . 1 1 136 136 LEU CB C 13 42.262 0.300 . 1 . . . . 136 LEU CB . 11247 1 1650 . 1 1 136 136 LEU CD1 C 13 25.756 0.300 . 2 . . . . 136 LEU CD1 . 11247 1 1651 . 1 1 136 136 LEU CD2 C 13 24.016 0.300 . 2 . . . . 136 LEU CD2 . 11247 1 1652 . 1 1 136 136 LEU CG C 13 25.933 0.300 . 1 . . . . 136 LEU CG . 11247 1 1653 . 1 1 136 136 LEU N N 15 118.274 0.300 . 1 . . . . 136 LEU N . 11247 1 1654 . 1 1 137 137 SER H H 1 9.179 0.030 . 1 . . . . 137 SER H . 11247 1 1655 . 1 1 137 137 SER HA H 1 4.789 0.030 . 1 . . . . 137 SER HA . 11247 1 1656 . 1 1 137 137 SER HB2 H 1 3.879 0.030 . 2 . . . . 137 SER HB2 . 11247 1 1657 . 1 1 137 137 SER HB3 H 1 3.488 0.030 . 2 . . . . 137 SER HB3 . 11247 1 1658 . 1 1 137 137 SER C C 13 172.483 0.300 . 1 . . . . 137 SER C . 11247 1 1659 . 1 1 137 137 SER CA C 13 56.987 0.300 . 1 . . . . 137 SER CA . 11247 1 1660 . 1 1 137 137 SER CB C 13 64.686 0.300 . 1 . . . . 137 SER CB . 11247 1 1661 . 1 1 137 137 SER N N 15 120.005 0.300 . 1 . . . . 137 SER N . 11247 1 1662 . 1 1 138 138 PRO HA H 1 4.693 0.030 . 1 . . . . 138 PRO HA . 11247 1 1663 . 1 1 138 138 PRO HB2 H 1 2.405 0.030 . 2 . . . . 138 PRO HB2 . 11247 1 1664 . 1 1 138 138 PRO HB3 H 1 2.008 0.030 . 2 . . . . 138 PRO HB3 . 11247 1 1665 . 1 1 138 138 PRO HD2 H 1 3.918 0.030 . 1 . . . . 138 PRO HD2 . 11247 1 1666 . 1 1 138 138 PRO HD3 H 1 3.918 0.030 . 1 . . . . 138 PRO HD3 . 11247 1 1667 . 1 1 138 138 PRO HG2 H 1 2.150 0.030 . 1 . . . . 138 PRO HG2 . 11247 1 1668 . 1 1 138 138 PRO HG3 H 1 2.150 0.030 . 1 . . . . 138 PRO HG3 . 11247 1 1669 . 1 1 138 138 PRO C C 13 177.574 0.300 . 1 . . . . 138 PRO C . 11247 1 1670 . 1 1 138 138 PRO CA C 13 63.176 0.300 . 1 . . . . 138 PRO CA . 11247 1 1671 . 1 1 138 138 PRO CB C 13 32.241 0.300 . 1 . . . . 138 PRO CB . 11247 1 1672 . 1 1 138 138 PRO CD C 13 50.862 0.300 . 1 . . . . 138 PRO CD . 11247 1 1673 . 1 1 138 138 PRO CG C 13 27.586 0.300 . 1 . . . . 138 PRO CG . 11247 1 1674 . 1 1 139 139 LYS H H 1 8.695 0.030 . 1 . . . . 139 LYS H . 11247 1 1675 . 1 1 139 139 LYS HA H 1 4.467 0.030 . 1 . . . . 139 LYS HA . 11247 1 1676 . 1 1 139 139 LYS HB2 H 1 1.914 0.030 . 2 . . . . 139 LYS HB2 . 11247 1 1677 . 1 1 139 139 LYS HB3 H 1 1.732 0.030 . 2 . . . . 139 LYS HB3 . 11247 1 1678 . 1 1 139 139 LYS HD2 H 1 1.657 0.030 . 1 . . . . 139 LYS HD2 . 11247 1 1679 . 1 1 139 139 LYS HD3 H 1 1.657 0.030 . 1 . . . . 139 LYS HD3 . 11247 1 1680 . 1 1 139 139 LYS HE2 H 1 2.969 0.030 . 2 . . . . 139 LYS HE2 . 11247 1 1681 . 1 1 139 139 LYS HE3 H 1 2.939 0.030 . 2 . . . . 139 LYS HE3 . 11247 1 1682 . 1 1 139 139 LYS HG2 H 1 1.588 0.030 . 2 . . . . 139 LYS HG2 . 11247 1 1683 . 1 1 139 139 LYS HG3 H 1 1.187 0.030 . 2 . . . . 139 LYS HG3 . 11247 1 1684 . 1 1 139 139 LYS C C 13 177.416 0.300 . 1 . . . . 139 LYS C . 11247 1 1685 . 1 1 139 139 LYS CA C 13 56.470 0.300 . 1 . . . . 139 LYS CA . 11247 1 1686 . 1 1 139 139 LYS CB C 13 33.937 0.300 . 1 . . . . 139 LYS CB . 11247 1 1687 . 1 1 139 139 LYS CD C 13 29.912 0.300 . 1 . . . . 139 LYS CD . 11247 1 1688 . 1 1 139 139 LYS CE C 13 41.944 0.300 . 1 . . . . 139 LYS CE . 11247 1 1689 . 1 1 139 139 LYS CG C 13 25.626 0.300 . 1 . . . . 139 LYS CG . 11247 1 1690 . 1 1 139 139 LYS N N 15 123.170 0.300 . 1 . . . . 139 LYS N . 11247 1 1691 . 1 1 140 140 SER H H 1 8.666 0.030 . 1 . . . . 140 SER H . 11247 1 1692 . 1 1 140 140 SER HA H 1 4.484 0.030 . 1 . . . . 140 SER HA . 11247 1 1693 . 1 1 140 140 SER HB2 H 1 3.954 0.030 . 2 . . . . 140 SER HB2 . 11247 1 1694 . 1 1 140 140 SER HB3 H 1 3.851 0.030 . 2 . . . . 140 SER HB3 . 11247 1 1695 . 1 1 140 140 SER C C 13 174.440 0.300 . 1 . . . . 140 SER C . 11247 1 1696 . 1 1 140 140 SER CA C 13 58.809 0.300 . 1 . . . . 140 SER CA . 11247 1 1697 . 1 1 140 140 SER CB C 13 63.808 0.300 . 1 . . . . 140 SER CB . 11247 1 1698 . 1 1 140 140 SER N N 15 118.047 0.300 . 1 . . . . 140 SER N . 11247 1 1699 . 1 1 141 141 GLY H H 1 8.245 0.030 . 1 . . . . 141 GLY H . 11247 1 1700 . 1 1 141 141 GLY HA2 H 1 4.178 0.030 . 2 . . . . 141 GLY HA2 . 11247 1 1701 . 1 1 141 141 GLY HA3 H 1 4.066 0.030 . 2 . . . . 141 GLY HA3 . 11247 1 1702 . 1 1 141 141 GLY C C 13 171.734 0.300 . 1 . . . . 141 GLY C . 11247 1 1703 . 1 1 141 141 GLY CA C 13 44.840 0.300 . 1 . . . . 141 GLY CA . 11247 1 1704 . 1 1 141 141 GLY N N 15 110.595 0.300 . 1 . . . . 141 GLY N . 11247 1 1705 . 1 1 142 142 PRO HA H 1 4.505 0.030 . 1 . . . . 142 PRO HA . 11247 1 1706 . 1 1 142 142 PRO HB2 H 1 2.308 0.030 . 2 . . . . 142 PRO HB2 . 11247 1 1707 . 1 1 142 142 PRO HB3 H 1 2.005 0.030 . 2 . . . . 142 PRO HB3 . 11247 1 1708 . 1 1 142 142 PRO HD2 H 1 3.625 0.030 . 1 . . . . 142 PRO HD2 . 11247 1 1709 . 1 1 142 142 PRO HD3 H 1 3.625 0.030 . 1 . . . . 142 PRO HD3 . 11247 1 1710 . 1 1 142 142 PRO HG2 H 1 2.029 0.030 . 1 . . . . 142 PRO HG2 . 11247 1 1711 . 1 1 142 142 PRO HG3 H 1 2.029 0.030 . 1 . . . . 142 PRO HG3 . 11247 1 1712 . 1 1 142 142 PRO CA C 13 63.257 0.300 . 1 . . . . 142 PRO CA . 11247 1 1713 . 1 1 142 142 PRO CB C 13 32.298 0.300 . 1 . . . . 142 PRO CB . 11247 1 1714 . 1 1 142 142 PRO CD C 13 49.825 0.300 . 1 . . . . 142 PRO CD . 11247 1 1715 . 1 1 142 142 PRO CG C 13 27.186 0.300 . 1 . . . . 142 PRO CG . 11247 1 1716 . 1 1 143 143 SER H H 1 8.306 0.030 . 1 . . . . 143 SER H . 11247 1 1717 . 1 1 144 144 SER HA H 1 4.515 0.030 . 1 . . . . 144 SER HA . 11247 1 1718 . 1 1 144 144 SER HB2 H 1 3.908 0.030 . 1 . . . . 144 SER HB2 . 11247 1 1719 . 1 1 144 144 SER HB3 H 1 3.908 0.030 . 1 . . . . 144 SER HB3 . 11247 1 1720 . 1 1 144 144 SER C C 13 173.894 0.300 . 1 . . . . 144 SER C . 11247 1 1721 . 1 1 144 144 SER CA C 13 58.413 0.300 . 1 . . . . 144 SER CA . 11247 1 1722 . 1 1 144 144 SER CB C 13 63.956 0.300 . 1 . . . . 144 SER CB . 11247 1 1723 . 1 1 145 145 GLY H H 1 8.047 0.030 . 1 . . . . 145 GLY H . 11247 1 1724 . 1 1 145 145 GLY HA2 H 1 3.791 0.030 . 1 . . . . 145 GLY HA2 . 11247 1 1725 . 1 1 145 145 GLY HA3 H 1 3.791 0.030 . 1 . . . . 145 GLY HA3 . 11247 1 1726 . 1 1 145 145 GLY C C 13 178.940 0.300 . 1 . . . . 145 GLY C . 11247 1 1727 . 1 1 145 145 GLY CA C 13 46.272 0.300 . 1 . . . . 145 GLY CA . 11247 1 1728 . 1 1 145 145 GLY N N 15 116.871 0.300 . 1 . . . . 145 GLY N . 11247 1 stop_ save_