data_10068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10068 _Entry.Title ; Solution Structure of the CH domain from Mouse Trangelin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Tomizawa . . . 10068 2 S. Koshiba . . . 10068 3 T. Kigawa . . . 10068 4 S. Yokoyama . . . 10068 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 10068 '15N chemical shifts' 146 10068 '1H chemical shifts' 989 10068 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 . . 2008-08-14 2006-12-25 original author . 10068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJO 'BMRB Entry Tracking System' 10068 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10068 _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 CH domain from Mouse Trangelin' _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 T. Tomizawa . . . 10068 1 2 S. Koshiba . . . 10068 1 3 T. Kigawa . . . 10068 1 4 S. Yokoyama . . . 10068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10068 _Assembly.ID 1 _Assembly.Name Transgelin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10068 1 stop_ 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 Transgelin 1 $entity_1 . . yes native no no . . . 10068 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 . PDB 1UJO . . . . . . 10068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calponin homology (CH) domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEELEERLVEWIVV QCGPDVGRPDRGRLGFQVWL KNGVILSKLVNSLYPEGSKP VKVPENPPSMVFKQMEQVAQ FLKAAEDYGVIKTDMFQTVD LYEGKDMAAVQRTLMALGSL AVTKNDGNYRGDPNWFMKSG PSSG ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1UJO . "Solution Structure Of The Ch Domain From Mouse Trangelin" . . . . . 100.00 144 100.00 100.00 2.12e-99 . . . . 10068 1 2 no DBJ BAA21811 . "SM22 alpha [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 3 no DBJ BAA21839 . "SM22 alpha [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 4 no DBJ BAB22427 . "unnamed protein product [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 5 no DBJ BAC36700 . "unnamed protein product [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 6 no DBJ BAG36752 . "unnamed protein product [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 7 no EMBL CAA92941 . "SM22 [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 8 no EMBL CAG46482 . "TAGLN [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 9 no EMBL CAH18406 . "hypothetical protein [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 10 no GB AAA58375 . "SM22, partial [Homo sapiens]" . . . . . 90.97 201 96.95 99.24 4.90e-88 . . . . 10068 1 11 no GB AAA79165 . "SM22 alpha [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 12 no GB AAA79166 . "SM22 alpha [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 13 no GB AAC08010 . "smooth muscle protein 22-alpha [Sus scrofa]" . . . . . 60.42 89 97.70 100.00 6.94e-54 . . . . 10068 1 14 no GB AAC21582 . "22 kDa actin-binding protein [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 15 no REF NP_001001522 . "transgelin [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 16 no REF NP_003177 . "transgelin [Homo sapiens]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 17 no REF NP_035656 . "transgelin [Mus musculus]" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 18 no REF XP_003253239 . "PREDICTED: transgelin [Nomascus leucogenys]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 19 no REF XP_003253241 . "PREDICTED: transgelin [Nomascus leucogenys]" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 20 no SP P37804 . "RecName: Full=Transgelin; AltName: Full=Actin-associated protein p27; AltName: Full=Smooth muscle protein 22-alpha; Short=SM22-" . . . . . 90.97 201 100.00 100.00 1.67e-90 . . . . 10068 1 21 no SP Q01995 . "RecName: Full=Transgelin; AltName: Full=22 kDa actin-binding protein; AltName: Full=Protein WS3-10; AltName: Full=Smooth muscle" . . . . . 90.97 201 96.95 100.00 8.21e-89 . . . . 10068 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Calponin homology (CH) domain' . 10068 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 . 10068 1 2 . SER . 10068 1 3 . SER . 10068 1 4 . GLY . 10068 1 5 . SER . 10068 1 6 . SER . 10068 1 7 . GLY . 10068 1 8 . GLU . 10068 1 9 . GLU . 10068 1 10 . LEU . 10068 1 11 . GLU . 10068 1 12 . GLU . 10068 1 13 . ARG . 10068 1 14 . LEU . 10068 1 15 . VAL . 10068 1 16 . GLU . 10068 1 17 . TRP . 10068 1 18 . ILE . 10068 1 19 . VAL . 10068 1 20 . VAL . 10068 1 21 . GLN . 10068 1 22 . CYS . 10068 1 23 . GLY . 10068 1 24 . PRO . 10068 1 25 . ASP . 10068 1 26 . VAL . 10068 1 27 . GLY . 10068 1 28 . ARG . 10068 1 29 . PRO . 10068 1 30 . ASP . 10068 1 31 . ARG . 10068 1 32 . GLY . 10068 1 33 . ARG . 10068 1 34 . LEU . 10068 1 35 . GLY . 10068 1 36 . PHE . 10068 1 37 . GLN . 10068 1 38 . VAL . 10068 1 39 . TRP . 10068 1 40 . LEU . 10068 1 41 . LYS . 10068 1 42 . ASN . 10068 1 43 . GLY . 10068 1 44 . VAL . 10068 1 45 . ILE . 10068 1 46 . LEU . 10068 1 47 . SER . 10068 1 48 . LYS . 10068 1 49 . LEU . 10068 1 50 . VAL . 10068 1 51 . ASN . 10068 1 52 . SER . 10068 1 53 . LEU . 10068 1 54 . TYR . 10068 1 55 . PRO . 10068 1 56 . GLU . 10068 1 57 . GLY . 10068 1 58 . SER . 10068 1 59 . LYS . 10068 1 60 . PRO . 10068 1 61 . VAL . 10068 1 62 . LYS . 10068 1 63 . VAL . 10068 1 64 . PRO . 10068 1 65 . GLU . 10068 1 66 . ASN . 10068 1 67 . PRO . 10068 1 68 . PRO . 10068 1 69 . SER . 10068 1 70 . MET . 10068 1 71 . VAL . 10068 1 72 . PHE . 10068 1 73 . LYS . 10068 1 74 . GLN . 10068 1 75 . MET . 10068 1 76 . GLU . 10068 1 77 . GLN . 10068 1 78 . VAL . 10068 1 79 . ALA . 10068 1 80 . GLN . 10068 1 81 . PHE . 10068 1 82 . LEU . 10068 1 83 . LYS . 10068 1 84 . ALA . 10068 1 85 . ALA . 10068 1 86 . GLU . 10068 1 87 . ASP . 10068 1 88 . TYR . 10068 1 89 . GLY . 10068 1 90 . VAL . 10068 1 91 . ILE . 10068 1 92 . LYS . 10068 1 93 . THR . 10068 1 94 . ASP . 10068 1 95 . MET . 10068 1 96 . PHE . 10068 1 97 . GLN . 10068 1 98 . THR . 10068 1 99 . VAL . 10068 1 100 . ASP . 10068 1 101 . LEU . 10068 1 102 . TYR . 10068 1 103 . GLU . 10068 1 104 . GLY . 10068 1 105 . LYS . 10068 1 106 . ASP . 10068 1 107 . MET . 10068 1 108 . ALA . 10068 1 109 . ALA . 10068 1 110 . VAL . 10068 1 111 . GLN . 10068 1 112 . ARG . 10068 1 113 . THR . 10068 1 114 . LEU . 10068 1 115 . MET . 10068 1 116 . ALA . 10068 1 117 . LEU . 10068 1 118 . GLY . 10068 1 119 . SER . 10068 1 120 . LEU . 10068 1 121 . ALA . 10068 1 122 . VAL . 10068 1 123 . THR . 10068 1 124 . LYS . 10068 1 125 . ASN . 10068 1 126 . ASP . 10068 1 127 . GLY . 10068 1 128 . ASN . 10068 1 129 . TYR . 10068 1 130 . ARG . 10068 1 131 . GLY . 10068 1 132 . ASP . 10068 1 133 . PRO . 10068 1 134 . ASN . 10068 1 135 . TRP . 10068 1 136 . PHE . 10068 1 137 . MET . 10068 1 138 . LYS . 10068 1 139 . SER . 10068 1 140 . GLY . 10068 1 141 . PRO . 10068 1 142 . SER . 10068 1 143 . SER . 10068 1 144 . GLY . 10068 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 10068 1 . SER 2 2 10068 1 . SER 3 3 10068 1 . GLY 4 4 10068 1 . SER 5 5 10068 1 . SER 6 6 10068 1 . GLY 7 7 10068 1 . GLU 8 8 10068 1 . GLU 9 9 10068 1 . LEU 10 10 10068 1 . GLU 11 11 10068 1 . GLU 12 12 10068 1 . ARG 13 13 10068 1 . LEU 14 14 10068 1 . VAL 15 15 10068 1 . GLU 16 16 10068 1 . TRP 17 17 10068 1 . ILE 18 18 10068 1 . VAL 19 19 10068 1 . VAL 20 20 10068 1 . GLN 21 21 10068 1 . CYS 22 22 10068 1 . GLY 23 23 10068 1 . PRO 24 24 10068 1 . ASP 25 25 10068 1 . VAL 26 26 10068 1 . GLY 27 27 10068 1 . ARG 28 28 10068 1 . PRO 29 29 10068 1 . ASP 30 30 10068 1 . ARG 31 31 10068 1 . GLY 32 32 10068 1 . ARG 33 33 10068 1 . LEU 34 34 10068 1 . GLY 35 35 10068 1 . PHE 36 36 10068 1 . GLN 37 37 10068 1 . VAL 38 38 10068 1 . TRP 39 39 10068 1 . LEU 40 40 10068 1 . LYS 41 41 10068 1 . ASN 42 42 10068 1 . GLY 43 43 10068 1 . VAL 44 44 10068 1 . ILE 45 45 10068 1 . LEU 46 46 10068 1 . SER 47 47 10068 1 . LYS 48 48 10068 1 . LEU 49 49 10068 1 . VAL 50 50 10068 1 . ASN 51 51 10068 1 . SER 52 52 10068 1 . LEU 53 53 10068 1 . TYR 54 54 10068 1 . PRO 55 55 10068 1 . GLU 56 56 10068 1 . GLY 57 57 10068 1 . SER 58 58 10068 1 . LYS 59 59 10068 1 . PRO 60 60 10068 1 . VAL 61 61 10068 1 . LYS 62 62 10068 1 . VAL 63 63 10068 1 . PRO 64 64 10068 1 . GLU 65 65 10068 1 . ASN 66 66 10068 1 . PRO 67 67 10068 1 . PRO 68 68 10068 1 . SER 69 69 10068 1 . MET 70 70 10068 1 . VAL 71 71 10068 1 . PHE 72 72 10068 1 . LYS 73 73 10068 1 . GLN 74 74 10068 1 . MET 75 75 10068 1 . GLU 76 76 10068 1 . GLN 77 77 10068 1 . VAL 78 78 10068 1 . ALA 79 79 10068 1 . GLN 80 80 10068 1 . PHE 81 81 10068 1 . LEU 82 82 10068 1 . LYS 83 83 10068 1 . ALA 84 84 10068 1 . ALA 85 85 10068 1 . GLU 86 86 10068 1 . ASP 87 87 10068 1 . TYR 88 88 10068 1 . GLY 89 89 10068 1 . VAL 90 90 10068 1 . ILE 91 91 10068 1 . LYS 92 92 10068 1 . THR 93 93 10068 1 . ASP 94 94 10068 1 . MET 95 95 10068 1 . PHE 96 96 10068 1 . GLN 97 97 10068 1 . THR 98 98 10068 1 . VAL 99 99 10068 1 . ASP 100 100 10068 1 . LEU 101 101 10068 1 . TYR 102 102 10068 1 . GLU 103 103 10068 1 . GLY 104 104 10068 1 . LYS 105 105 10068 1 . ASP 106 106 10068 1 . MET 107 107 10068 1 . ALA 108 108 10068 1 . ALA 109 109 10068 1 . VAL 110 110 10068 1 . GLN 111 111 10068 1 . ARG 112 112 10068 1 . THR 113 113 10068 1 . LEU 114 114 10068 1 . MET 115 115 10068 1 . ALA 116 116 10068 1 . LEU 117 117 10068 1 . GLY 118 118 10068 1 . SER 119 119 10068 1 . LEU 120 120 10068 1 . ALA 121 121 10068 1 . VAL 122 122 10068 1 . THR 123 123 10068 1 . LYS 124 124 10068 1 . ASN 125 125 10068 1 . ASP 126 126 10068 1 . GLY 127 127 10068 1 . ASN 128 128 10068 1 . TYR 129 129 10068 1 . ARG 130 130 10068 1 . GLY 131 131 10068 1 . ASP 132 132 10068 1 . PRO 133 133 10068 1 . ASN 134 134 10068 1 . TRP 135 135 10068 1 . PHE 136 136 10068 1 . MET 137 137 10068 1 . LYS 138 138 10068 1 . SER 139 139 10068 1 . GLY 140 140 10068 1 . PRO 141 141 10068 1 . SER 142 142 10068 1 . SER 143 143 10068 1 . GLY 144 144 10068 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 10068 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10068 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 10068 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P020520-56 . . . . . . 10068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 10068 1 2 'Tris-HCl(pH 7.0)' . . . . . . buffer 20 . . mM . . . . 10068 1 3 NaCl . . . . . . salt 200 . . mM . . . . 10068 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10068 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10068 1 6 H2O . . . . . . solvent 90 . . % . . . . 10068 1 7 D2O . . . . . . solvent 10 . . % . . . . 10068 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 10068 _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' 220 0.1 mM 10068 1 pH 7.0 0.05 pH 10068 1 pressure 1 0.001 atm 10068 1 temperature 298 0.1 K 10068 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10068 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10068 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10068 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10068 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10068 _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.' . . 10068 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10068 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10068 _Software.ID 4 _Software.Name Kujira _Software.Version 0.820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10068 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10068 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10068 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10068 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10068 5 'structure solution' 10068 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 10068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10068 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10068 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10068 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10068 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10068 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10068 _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 . . . . . . . . . 10068 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10068 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10068 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 10068 _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 13C-separated NOESY' 1 $sample_1 isotropic 10068 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10068 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.905 0.030 . 1 . . . . 1 GLY HA2 . 10068 1 2 . 1 1 1 1 GLY HA3 H 1 3.905 0.030 . 1 . . . . 1 GLY HA3 . 10068 1 3 . 1 1 1 1 GLY CA C 13 43.739 0.300 . 1 . . . . 1 GLY CA . 10068 1 4 . 1 1 6 6 SER HA H 1 4.518 0.030 . 1 . . . . 6 SER HA . 10068 1 5 . 1 1 6 6 SER CA C 13 58.844 0.300 . 1 . . . . 6 SER CA . 10068 1 6 . 1 1 7 7 GLY H H 1 8.637 0.030 . 1 . . . . 7 GLY H . 10068 1 7 . 1 1 7 7 GLY HA2 H 1 3.947 0.030 . 2 . . . . 7 GLY HA2 . 10068 1 8 . 1 1 7 7 GLY HA3 H 1 4.031 0.030 . 2 . . . . 7 GLY HA3 . 10068 1 9 . 1 1 7 7 GLY C C 13 175.078 0.300 . 1 . . . . 7 GLY C . 10068 1 10 . 1 1 7 7 GLY CA C 13 46.172 0.300 . 1 . . . . 7 GLY CA . 10068 1 11 . 1 1 7 7 GLY N N 15 110.824 0.300 . 1 . . . . 7 GLY N . 10068 1 12 . 1 1 8 8 GLU H H 1 8.406 0.030 . 1 . . . . 8 GLU H . 10068 1 13 . 1 1 8 8 GLU HA H 1 4.132 0.030 . 1 . . . . 8 GLU HA . 10068 1 14 . 1 1 8 8 GLU HB2 H 1 1.955 0.030 . 2 . . . . 8 GLU HB2 . 10068 1 15 . 1 1 8 8 GLU HB3 H 1 2.048 0.030 . 2 . . . . 8 GLU HB3 . 10068 1 16 . 1 1 8 8 GLU HG2 H 1 2.259 0.030 . 1 . . . . 8 GLU HG2 . 10068 1 17 . 1 1 8 8 GLU HG3 H 1 2.259 0.030 . 1 . . . . 8 GLU HG3 . 10068 1 18 . 1 1 8 8 GLU C C 13 177.533 0.300 . 1 . . . . 8 GLU C . 10068 1 19 . 1 1 8 8 GLU CA C 13 58.126 0.300 . 1 . . . . 8 GLU CA . 10068 1 20 . 1 1 8 8 GLU CB C 13 29.818 0.300 . 1 . . . . 8 GLU CB . 10068 1 21 . 1 1 8 8 GLU CG C 13 36.566 0.300 . 1 . . . . 8 GLU CG . 10068 1 22 . 1 1 8 8 GLU N N 15 121.299 0.300 . 1 . . . . 8 GLU N . 10068 1 23 . 1 1 9 9 GLU H H 1 8.387 0.030 . 1 . . . . 9 GLU H . 10068 1 24 . 1 1 9 9 GLU HA H 1 4.130 0.030 . 1 . . . . 9 GLU HA . 10068 1 25 . 1 1 9 9 GLU HB2 H 1 1.952 0.030 . 1 . . . . 9 GLU HB2 . 10068 1 26 . 1 1 9 9 GLU HB3 H 1 1.952 0.030 . 1 . . . . 9 GLU HB3 . 10068 1 27 . 1 1 9 9 GLU HG2 H 1 2.330 0.030 . 1 . . . . 9 GLU HG2 . 10068 1 28 . 1 1 9 9 GLU HG3 H 1 2.330 0.030 . 1 . . . . 9 GLU HG3 . 10068 1 29 . 1 1 9 9 GLU C C 13 178.314 0.300 . 1 . . . . 9 GLU C . 10068 1 30 . 1 1 9 9 GLU CA C 13 58.341 0.300 . 1 . . . . 9 GLU CA . 10068 1 31 . 1 1 9 9 GLU CB C 13 29.736 0.300 . 1 . . . . 9 GLU CB . 10068 1 32 . 1 1 9 9 GLU CG C 13 36.566 0.300 . 1 . . . . 9 GLU CG . 10068 1 33 . 1 1 9 9 GLU N N 15 120.754 0.300 . 1 . . . . 9 GLU N . 10068 1 34 . 1 1 10 10 LEU H H 1 8.021 0.030 . 1 . . . . 10 LEU H . 10068 1 35 . 1 1 10 10 LEU HA H 1 4.094 0.030 . 1 . . . . 10 LEU HA . 10068 1 36 . 1 1 10 10 LEU HB2 H 1 1.578 0.030 . 2 . . . . 10 LEU HB2 . 10068 1 37 . 1 1 10 10 LEU HB3 H 1 1.657 0.030 . 2 . . . . 10 LEU HB3 . 10068 1 38 . 1 1 10 10 LEU HG H 1 1.595 0.030 . 1 . . . . 10 LEU HG . 10068 1 39 . 1 1 10 10 LEU HD11 H 1 0.938 0.030 . 1 . . . . 10 LEU HD1 . 10068 1 40 . 1 1 10 10 LEU HD12 H 1 0.938 0.030 . 1 . . . . 10 LEU HD1 . 10068 1 41 . 1 1 10 10 LEU HD13 H 1 0.938 0.030 . 1 . . . . 10 LEU HD1 . 10068 1 42 . 1 1 10 10 LEU HD21 H 1 0.880 0.030 . 1 . . . . 10 LEU HD2 . 10068 1 43 . 1 1 10 10 LEU HD22 H 1 0.880 0.030 . 1 . . . . 10 LEU HD2 . 10068 1 44 . 1 1 10 10 LEU HD23 H 1 0.880 0.030 . 1 . . . . 10 LEU HD2 . 10068 1 45 . 1 1 10 10 LEU C C 13 177.638 0.300 . 1 . . . . 10 LEU C . 10068 1 46 . 1 1 10 10 LEU CA C 13 57.381 0.300 . 1 . . . . 10 LEU CA . 10068 1 47 . 1 1 10 10 LEU CB C 13 41.484 0.300 . 1 . . . . 10 LEU CB . 10068 1 48 . 1 1 10 10 LEU CG C 13 27.238 0.300 . 1 . . . . 10 LEU CG . 10068 1 49 . 1 1 10 10 LEU CD1 C 13 24.384 0.300 . 2 . . . . 10 LEU CD1 . 10068 1 50 . 1 1 10 10 LEU CD2 C 13 24.017 0.300 . 2 . . . . 10 LEU CD2 . 10068 1 51 . 1 1 10 10 LEU N N 15 121.503 0.300 . 1 . . . . 10 LEU N . 10068 1 52 . 1 1 11 11 GLU H H 1 7.937 0.030 . 1 . . . . 11 GLU H . 10068 1 53 . 1 1 11 11 GLU HA H 1 3.373 0.030 . 1 . . . . 11 GLU HA . 10068 1 54 . 1 1 11 11 GLU HB2 H 1 1.837 0.030 . 2 . . . . 11 GLU HB2 . 10068 1 55 . 1 1 11 11 GLU HB3 H 1 1.667 0.030 . 2 . . . . 11 GLU HB3 . 10068 1 56 . 1 1 11 11 GLU HG2 H 1 1.484 0.030 . 1 . . . . 11 GLU HG2 . 10068 1 57 . 1 1 11 11 GLU HG3 H 1 1.484 0.030 . 1 . . . . 11 GLU HG3 . 10068 1 58 . 1 1 11 11 GLU C C 13 177.517 0.300 . 1 . . . . 11 GLU C . 10068 1 59 . 1 1 11 11 GLU CA C 13 60.464 0.300 . 1 . . . . 11 GLU CA . 10068 1 60 . 1 1 11 11 GLU CB C 13 29.818 0.300 . 1 . . . . 11 GLU CB . 10068 1 61 . 1 1 11 11 GLU CG C 13 36.820 0.300 . 1 . . . . 11 GLU CG . 10068 1 62 . 1 1 11 11 GLU N N 15 118.977 0.300 . 1 . . . . 11 GLU N . 10068 1 63 . 1 1 12 12 GLU H H 1 7.830 0.030 . 1 . . . . 12 GLU H . 10068 1 64 . 1 1 12 12 GLU HA H 1 3.852 0.030 . 1 . . . . 12 GLU HA . 10068 1 65 . 1 1 12 12 GLU HB2 H 1 2.032 0.030 . 2 . . . . 12 GLU HB2 . 10068 1 66 . 1 1 12 12 GLU HB3 H 1 1.985 0.030 . 2 . . . . 12 GLU HB3 . 10068 1 67 . 1 1 12 12 GLU HG2 H 1 2.205 0.030 . 2 . . . . 12 GLU HG2 . 10068 1 68 . 1 1 12 12 GLU HG3 H 1 2.347 0.030 . 2 . . . . 12 GLU HG3 . 10068 1 69 . 1 1 12 12 GLU C C 13 178.902 0.300 . 1 . . . . 12 GLU C . 10068 1 70 . 1 1 12 12 GLU CA C 13 59.659 0.300 . 1 . . . . 12 GLU CA . 10068 1 71 . 1 1 12 12 GLU CB C 13 29.349 0.300 . 1 . . . . 12 GLU CB . 10068 1 72 . 1 1 12 12 GLU CG C 13 36.484 0.300 . 1 . . . . 12 GLU CG . 10068 1 73 . 1 1 12 12 GLU N N 15 116.747 0.300 . 1 . . . . 12 GLU N . 10068 1 74 . 1 1 13 13 ARG H H 1 7.680 0.030 . 1 . . . . 13 ARG H . 10068 1 75 . 1 1 13 13 ARG HA H 1 3.720 0.030 . 1 . . . . 13 ARG HA . 10068 1 76 . 1 1 13 13 ARG HB2 H 1 1.598 0.030 . 2 . . . . 13 ARG HB2 . 10068 1 77 . 1 1 13 13 ARG HB3 H 1 1.674 0.030 . 2 . . . . 13 ARG HB3 . 10068 1 78 . 1 1 13 13 ARG HG2 H 1 1.241 0.030 . 2 . . . . 13 ARG HG2 . 10068 1 79 . 1 1 13 13 ARG HG3 H 1 1.006 0.030 . 2 . . . . 13 ARG HG3 . 10068 1 80 . 1 1 13 13 ARG HD2 H 1 2.434 0.030 . 2 . . . . 13 ARG HD2 . 10068 1 81 . 1 1 13 13 ARG HD3 H 1 2.663 0.030 . 2 . . . . 13 ARG HD3 . 10068 1 82 . 1 1 13 13 ARG HE H 1 7.153 0.030 . 1 . . . . 13 ARG HE . 10068 1 83 . 1 1 13 13 ARG C C 13 177.985 0.300 . 1 . . . . 13 ARG C . 10068 1 84 . 1 1 13 13 ARG CA C 13 58.233 0.300 . 1 . . . . 13 ARG CA . 10068 1 85 . 1 1 13 13 ARG CB C 13 29.356 0.300 . 1 . . . . 13 ARG CB . 10068 1 86 . 1 1 13 13 ARG CG C 13 25.562 0.300 . 1 . . . . 13 ARG CG . 10068 1 87 . 1 1 13 13 ARG CD C 13 42.584 0.300 . 1 . . . . 13 ARG CD . 10068 1 88 . 1 1 13 13 ARG N N 15 119.621 0.300 . 1 . . . . 13 ARG N . 10068 1 89 . 1 1 13 13 ARG NE N 15 83.144 0.300 . 1 . . . . 13 ARG NE . 10068 1 90 . 1 1 14 14 LEU H H 1 8.119 0.030 . 1 . . . . 14 LEU H . 10068 1 91 . 1 1 14 14 LEU HA H 1 4.510 0.030 . 1 . . . . 14 LEU HA . 10068 1 92 . 1 1 14 14 LEU HB2 H 1 2.361 0.030 . 2 . . . . 14 LEU HB2 . 10068 1 93 . 1 1 14 14 LEU HB3 H 1 1.564 0.030 . 2 . . . . 14 LEU HB3 . 10068 1 94 . 1 1 14 14 LEU HG H 1 2.180 0.030 . 1 . . . . 14 LEU HG . 10068 1 95 . 1 1 14 14 LEU HD11 H 1 1.271 0.030 . 1 . . . . 14 LEU HD1 . 10068 1 96 . 1 1 14 14 LEU HD12 H 1 1.271 0.030 . 1 . . . . 14 LEU HD1 . 10068 1 97 . 1 1 14 14 LEU HD13 H 1 1.271 0.030 . 1 . . . . 14 LEU HD1 . 10068 1 98 . 1 1 14 14 LEU HD21 H 1 1.108 0.030 . 1 . . . . 14 LEU HD2 . 10068 1 99 . 1 1 14 14 LEU HD22 H 1 1.108 0.030 . 1 . . . . 14 LEU HD2 . 10068 1 100 . 1 1 14 14 LEU HD23 H 1 1.108 0.030 . 1 . . . . 14 LEU HD2 . 10068 1 101 . 1 1 14 14 LEU C C 13 179.182 0.300 . 1 . . . . 14 LEU C . 10068 1 102 . 1 1 14 14 LEU CA C 13 58.314 0.300 . 1 . . . . 14 LEU CA . 10068 1 103 . 1 1 14 14 LEU CB C 13 42.424 0.300 . 1 . . . . 14 LEU CB . 10068 1 104 . 1 1 14 14 LEU CG C 13 26.899 0.300 . 1 . . . . 14 LEU CG . 10068 1 105 . 1 1 14 14 LEU CD1 C 13 23.572 0.300 . 2 . . . . 14 LEU CD1 . 10068 1 106 . 1 1 14 14 LEU CD2 C 13 26.677 0.300 . 2 . . . . 14 LEU CD2 . 10068 1 107 . 1 1 14 14 LEU N N 15 118.314 0.300 . 1 . . . . 14 LEU N . 10068 1 108 . 1 1 15 15 VAL H H 1 8.526 0.030 . 1 . . . . 15 VAL H . 10068 1 109 . 1 1 15 15 VAL HA H 1 3.822 0.030 . 1 . . . . 15 VAL HA . 10068 1 110 . 1 1 15 15 VAL HB H 1 2.214 0.030 . 1 . . . . 15 VAL HB . 10068 1 111 . 1 1 15 15 VAL HG11 H 1 0.747 0.030 . 1 . . . . 15 VAL HG1 . 10068 1 112 . 1 1 15 15 VAL HG12 H 1 0.747 0.030 . 1 . . . . 15 VAL HG1 . 10068 1 113 . 1 1 15 15 VAL HG13 H 1 0.747 0.030 . 1 . . . . 15 VAL HG1 . 10068 1 114 . 1 1 15 15 VAL HG21 H 1 1.135 0.030 . 1 . . . . 15 VAL HG2 . 10068 1 115 . 1 1 15 15 VAL HG22 H 1 1.135 0.030 . 1 . . . . 15 VAL HG2 . 10068 1 116 . 1 1 15 15 VAL HG23 H 1 1.135 0.030 . 1 . . . . 15 VAL HG2 . 10068 1 117 . 1 1 15 15 VAL C C 13 177.185 0.300 . 1 . . . . 15 VAL C . 10068 1 118 . 1 1 15 15 VAL CA C 13 67.961 0.300 . 1 . . . . 15 VAL CA . 10068 1 119 . 1 1 15 15 VAL CB C 13 32.050 0.300 . 1 . . . . 15 VAL CB . 10068 1 120 . 1 1 15 15 VAL CG1 C 13 21.316 0.300 . 2 . . . . 15 VAL CG1 . 10068 1 121 . 1 1 15 15 VAL CG2 C 13 24.078 0.300 . 2 . . . . 15 VAL CG2 . 10068 1 122 . 1 1 15 15 VAL N N 15 119.193 0.300 . 1 . . . . 15 VAL N . 10068 1 123 . 1 1 16 16 GLU H H 1 7.810 0.030 . 1 . . . . 16 GLU H . 10068 1 124 . 1 1 16 16 GLU HA H 1 3.983 0.030 . 1 . . . . 16 GLU HA . 10068 1 125 . 1 1 16 16 GLU HB2 H 1 1.878 0.030 . 2 . . . . 16 GLU HB2 . 10068 1 126 . 1 1 16 16 GLU HB3 H 1 2.002 0.030 . 2 . . . . 16 GLU HB3 . 10068 1 127 . 1 1 16 16 GLU HG2 H 1 2.412 0.030 . 1 . . . . 16 GLU HG2 . 10068 1 128 . 1 1 16 16 GLU HG3 H 1 2.412 0.030 . 1 . . . . 16 GLU HG3 . 10068 1 129 . 1 1 16 16 GLU C C 13 179.425 0.300 . 1 . . . . 16 GLU C . 10068 1 130 . 1 1 16 16 GLU CA C 13 59.171 0.300 . 1 . . . . 16 GLU CA . 10068 1 131 . 1 1 16 16 GLU CB C 13 28.731 0.300 . 1 . . . . 16 GLU CB . 10068 1 132 . 1 1 16 16 GLU CG C 13 35.907 0.300 . 1 . . . . 16 GLU CG . 10068 1 133 . 1 1 16 16 GLU N N 15 116.266 0.300 . 1 . . . . 16 GLU N . 10068 1 134 . 1 1 17 17 TRP H H 1 8.368 0.030 . 1 . . . . 17 TRP H . 10068 1 135 . 1 1 17 17 TRP HA H 1 5.011 0.030 . 1 . . . . 17 TRP HA . 10068 1 136 . 1 1 17 17 TRP HB2 H 1 3.517 0.030 . 2 . . . . 17 TRP HB2 . 10068 1 137 . 1 1 17 17 TRP HB3 H 1 3.807 0.030 . 2 . . . . 17 TRP HB3 . 10068 1 138 . 1 1 17 17 TRP HD1 H 1 7.587 0.030 . 1 . . . . 17 TRP HD1 . 10068 1 139 . 1 1 17 17 TRP HE1 H 1 9.981 0.030 . 1 . . . . 17 TRP HE1 . 10068 1 140 . 1 1 17 17 TRP HE3 H 1 7.633 0.030 . 1 . . . . 17 TRP HE3 . 10068 1 141 . 1 1 17 17 TRP HZ2 H 1 7.199 0.030 . 1 . . . . 17 TRP HZ2 . 10068 1 142 . 1 1 17 17 TRP HZ3 H 1 7.070 0.030 . 1 . . . . 17 TRP HZ3 . 10068 1 143 . 1 1 17 17 TRP HH2 H 1 6.727 0.030 . 1 . . . . 17 TRP HH2 . 10068 1 144 . 1 1 17 17 TRP C C 13 176.715 0.300 . 1 . . . . 17 TRP C . 10068 1 145 . 1 1 17 17 TRP CA C 13 60.031 0.300 . 1 . . . . 17 TRP CA . 10068 1 146 . 1 1 17 17 TRP CB C 13 28.092 0.300 . 1 . . . . 17 TRP CB . 10068 1 147 . 1 1 17 17 TRP CD1 C 13 126.849 0.300 . 1 . . . . 17 TRP CD1 . 10068 1 148 . 1 1 17 17 TRP CE3 C 13 120.924 0.300 . 1 . . . . 17 TRP CE3 . 10068 1 149 . 1 1 17 17 TRP CZ2 C 13 112.621 0.300 . 1 . . . . 17 TRP CZ2 . 10068 1 150 . 1 1 17 17 TRP CZ3 C 13 121.734 0.300 . 1 . . . . 17 TRP CZ3 . 10068 1 151 . 1 1 17 17 TRP CH2 C 13 123.312 0.300 . 1 . . . . 17 TRP CH2 . 10068 1 152 . 1 1 17 17 TRP N N 15 118.760 0.300 . 1 . . . . 17 TRP N . 10068 1 153 . 1 1 17 17 TRP NE1 N 15 133.765 0.300 . 1 . . . . 17 TRP NE1 . 10068 1 154 . 1 1 18 18 ILE H H 1 8.822 0.030 . 1 . . . . 18 ILE H . 10068 1 155 . 1 1 18 18 ILE HA H 1 2.998 0.030 . 1 . . . . 18 ILE HA . 10068 1 156 . 1 1 18 18 ILE HB H 1 2.244 0.030 . 1 . . . . 18 ILE HB . 10068 1 157 . 1 1 18 18 ILE HG12 H 1 0.624 0.030 . 2 . . . . 18 ILE HG12 . 10068 1 158 . 1 1 18 18 ILE HG13 H 1 2.139 0.030 . 2 . . . . 18 ILE HG13 . 10068 1 159 . 1 1 18 18 ILE HG21 H 1 0.643 0.030 . 1 . . . . 18 ILE HG2 . 10068 1 160 . 1 1 18 18 ILE HG22 H 1 0.643 0.030 . 1 . . . . 18 ILE HG2 . 10068 1 161 . 1 1 18 18 ILE HG23 H 1 0.643 0.030 . 1 . . . . 18 ILE HG2 . 10068 1 162 . 1 1 18 18 ILE HD11 H 1 0.877 0.030 . 1 . . . . 18 ILE HD1 . 10068 1 163 . 1 1 18 18 ILE HD12 H 1 0.877 0.030 . 1 . . . . 18 ILE HD1 . 10068 1 164 . 1 1 18 18 ILE HD13 H 1 0.877 0.030 . 1 . . . . 18 ILE HD1 . 10068 1 165 . 1 1 18 18 ILE C C 13 178.156 0.300 . 1 . . . . 18 ILE C . 10068 1 166 . 1 1 18 18 ILE CA C 13 66.814 0.300 . 1 . . . . 18 ILE CA . 10068 1 167 . 1 1 18 18 ILE CB C 13 37.966 0.300 . 1 . . . . 18 ILE CB . 10068 1 168 . 1 1 18 18 ILE CG1 C 13 31.120 0.300 . 1 . . . . 18 ILE CG1 . 10068 1 169 . 1 1 18 18 ILE CG2 C 13 19.173 0.300 . 1 . . . . 18 ILE CG2 . 10068 1 170 . 1 1 18 18 ILE CD1 C 13 13.876 0.300 . 1 . . . . 18 ILE CD1 . 10068 1 171 . 1 1 18 18 ILE N N 15 120.067 0.300 . 1 . . . . 18 ILE N . 10068 1 172 . 1 1 19 19 VAL H H 1 8.682 0.030 . 1 . . . . 19 VAL H . 10068 1 173 . 1 1 19 19 VAL HA H 1 3.619 0.030 . 1 . . . . 19 VAL HA . 10068 1 174 . 1 1 19 19 VAL HB H 1 2.240 0.030 . 1 . . . . 19 VAL HB . 10068 1 175 . 1 1 19 19 VAL HG11 H 1 0.951 0.030 . 1 . . . . 19 VAL HG1 . 10068 1 176 . 1 1 19 19 VAL HG12 H 1 0.951 0.030 . 1 . . . . 19 VAL HG1 . 10068 1 177 . 1 1 19 19 VAL HG13 H 1 0.951 0.030 . 1 . . . . 19 VAL HG1 . 10068 1 178 . 1 1 19 19 VAL HG21 H 1 1.210 0.030 . 1 . . . . 19 VAL HG2 . 10068 1 179 . 1 1 19 19 VAL HG22 H 1 1.210 0.030 . 1 . . . . 19 VAL HG2 . 10068 1 180 . 1 1 19 19 VAL HG23 H 1 1.210 0.030 . 1 . . . . 19 VAL HG2 . 10068 1 181 . 1 1 19 19 VAL C C 13 179.473 0.300 . 1 . . . . 19 VAL C . 10068 1 182 . 1 1 19 19 VAL CA C 13 67.069 0.300 . 1 . . . . 19 VAL CA . 10068 1 183 . 1 1 19 19 VAL CB C 13 31.770 0.300 . 1 . . . . 19 VAL CB . 10068 1 184 . 1 1 19 19 VAL CG1 C 13 21.386 0.300 . 2 . . . . 19 VAL CG1 . 10068 1 185 . 1 1 19 19 VAL CG2 C 13 22.853 0.300 . 2 . . . . 19 VAL CG2 . 10068 1 186 . 1 1 19 19 VAL N N 15 118.629 0.300 . 1 . . . . 19 VAL N . 10068 1 187 . 1 1 20 20 VAL H H 1 8.142 0.030 . 1 . . . . 20 VAL H . 10068 1 188 . 1 1 20 20 VAL HA H 1 4.155 0.030 . 1 . . . . 20 VAL HA . 10068 1 189 . 1 1 20 20 VAL HB H 1 2.400 0.030 . 1 . . . . 20 VAL HB . 10068 1 190 . 1 1 20 20 VAL HG11 H 1 1.322 0.030 . 1 . . . . 20 VAL HG1 . 10068 1 191 . 1 1 20 20 VAL HG12 H 1 1.322 0.030 . 1 . . . . 20 VAL HG1 . 10068 1 192 . 1 1 20 20 VAL HG13 H 1 1.322 0.030 . 1 . . . . 20 VAL HG1 . 10068 1 193 . 1 1 20 20 VAL HG21 H 1 1.271 0.030 . 1 . . . . 20 VAL HG2 . 10068 1 194 . 1 1 20 20 VAL HG22 H 1 1.271 0.030 . 1 . . . . 20 VAL HG2 . 10068 1 195 . 1 1 20 20 VAL HG23 H 1 1.271 0.030 . 1 . . . . 20 VAL HG2 . 10068 1 196 . 1 1 20 20 VAL C C 13 177.981 0.300 . 1 . . . . 20 VAL C . 10068 1 197 . 1 1 20 20 VAL CA C 13 65.022 0.300 . 1 . . . . 20 VAL CA . 10068 1 198 . 1 1 20 20 VAL CB C 13 31.838 0.300 . 1 . . . . 20 VAL CB . 10068 1 199 . 1 1 20 20 VAL CG1 C 13 22.693 0.300 . 2 . . . . 20 VAL CG1 . 10068 1 200 . 1 1 20 20 VAL CG2 C 13 21.629 0.300 . 2 . . . . 20 VAL CG2 . 10068 1 201 . 1 1 20 20 VAL N N 15 119.223 0.300 . 1 . . . . 20 VAL N . 10068 1 202 . 1 1 21 21 GLN H H 1 8.541 0.030 . 1 . . . . 21 GLN H . 10068 1 203 . 1 1 21 21 GLN HA H 1 3.903 0.030 . 1 . . . . 21 GLN HA . 10068 1 204 . 1 1 21 21 GLN HB2 H 1 1.741 0.030 . 2 . . . . 21 GLN HB2 . 10068 1 205 . 1 1 21 21 GLN HB3 H 1 2.139 0.030 . 2 . . . . 21 GLN HB3 . 10068 1 206 . 1 1 21 21 GLN HG2 H 1 1.646 0.030 . 2 . . . . 21 GLN HG2 . 10068 1 207 . 1 1 21 21 GLN HG3 H 1 1.970 0.030 . 2 . . . . 21 GLN HG3 . 10068 1 208 . 1 1 21 21 GLN HE21 H 1 7.660 0.030 . 2 . . . . 21 GLN HE21 . 10068 1 209 . 1 1 21 21 GLN HE22 H 1 7.520 0.030 . 2 . . . . 21 GLN HE22 . 10068 1 210 . 1 1 21 21 GLN C C 13 178.034 0.300 . 1 . . . . 21 GLN C . 10068 1 211 . 1 1 21 21 GLN CA C 13 58.420 0.300 . 1 . . . . 21 GLN CA . 10068 1 212 . 1 1 21 21 GLN CB C 13 29.740 0.300 . 1 . . . . 21 GLN CB . 10068 1 213 . 1 1 21 21 GLN CG C 13 33.689 0.300 . 1 . . . . 21 GLN CG . 10068 1 214 . 1 1 21 21 GLN N N 15 119.868 0.300 . 1 . . . . 21 GLN N . 10068 1 215 . 1 1 21 21 GLN NE2 N 15 109.752 0.300 . 1 . . . . 21 GLN NE2 . 10068 1 216 . 1 1 22 22 CYS H H 1 8.396 0.030 . 1 . . . . 22 CYS H . 10068 1 217 . 1 1 22 22 CYS HA H 1 4.210 0.030 . 1 . . . . 22 CYS HA . 10068 1 218 . 1 1 22 22 CYS HB2 H 1 2.920 0.030 . 2 . . . . 22 CYS HB2 . 10068 1 219 . 1 1 22 22 CYS HB3 H 1 2.750 0.030 . 2 . . . . 22 CYS HB3 . 10068 1 220 . 1 1 22 22 CYS C C 13 176.140 0.300 . 1 . . . . 22 CYS C . 10068 1 221 . 1 1 22 22 CYS CA C 13 61.373 0.300 . 1 . . . . 22 CYS CA . 10068 1 222 . 1 1 22 22 CYS CB C 13 30.134 0.300 . 1 . . . . 22 CYS CB . 10068 1 223 . 1 1 22 22 CYS N N 15 112.378 0.300 . 1 . . . . 22 CYS N . 10068 1 224 . 1 1 23 23 GLY H H 1 8.064 0.030 . 1 . . . . 23 GLY H . 10068 1 225 . 1 1 23 23 GLY HA2 H 1 4.006 0.030 . 2 . . . . 23 GLY HA2 . 10068 1 226 . 1 1 23 23 GLY HA3 H 1 4.594 0.030 . 2 . . . . 23 GLY HA3 . 10068 1 227 . 1 1 23 23 GLY C C 13 171.985 0.300 . 1 . . . . 23 GLY C . 10068 1 228 . 1 1 23 23 GLY CA C 13 44.399 0.300 . 1 . . . . 23 GLY CA . 10068 1 229 . 1 1 23 23 GLY N N 15 110.064 0.300 . 1 . . . . 23 GLY N . 10068 1 230 . 1 1 24 24 PRO HA H 1 4.462 0.030 . 1 . . . . 24 PRO HA . 10068 1 231 . 1 1 24 24 PRO HB2 H 1 2.068 0.030 . 2 . . . . 24 PRO HB2 . 10068 1 232 . 1 1 24 24 PRO HB3 H 1 2.333 0.030 . 2 . . . . 24 PRO HB3 . 10068 1 233 . 1 1 24 24 PRO HG2 H 1 2.078 0.030 . 1 . . . . 24 PRO HG2 . 10068 1 234 . 1 1 24 24 PRO HG3 H 1 2.078 0.030 . 1 . . . . 24 PRO HG3 . 10068 1 235 . 1 1 24 24 PRO HD2 H 1 3.790 0.030 . 2 . . . . 24 PRO HD2 . 10068 1 236 . 1 1 24 24 PRO HD3 H 1 3.667 0.030 . 2 . . . . 24 PRO HD3 . 10068 1 237 . 1 1 24 24 PRO C C 13 178.950 0.300 . 1 . . . . 24 PRO C . 10068 1 238 . 1 1 24 24 PRO CA C 13 64.260 0.300 . 1 . . . . 24 PRO CA . 10068 1 239 . 1 1 24 24 PRO CB C 13 31.987 0.300 . 1 . . . . 24 PRO CB . 10068 1 240 . 1 1 24 24 PRO CG C 13 27.649 0.300 . 1 . . . . 24 PRO CG . 10068 1 241 . 1 1 24 24 PRO CD C 13 49.873 0.300 . 1 . . . . 24 PRO CD . 10068 1 242 . 1 1 25 25 ASP H H 1 8.748 0.030 . 1 . . . . 25 ASP H . 10068 1 243 . 1 1 25 25 ASP HA H 1 4.463 0.030 . 1 . . . . 25 ASP HA . 10068 1 244 . 1 1 25 25 ASP HB2 H 1 2.674 0.030 . 2 . . . . 25 ASP HB2 . 10068 1 245 . 1 1 25 25 ASP HB3 H 1 2.731 0.030 . 2 . . . . 25 ASP HB3 . 10068 1 246 . 1 1 25 25 ASP C C 13 177.608 0.300 . 1 . . . . 25 ASP C . 10068 1 247 . 1 1 25 25 ASP CA C 13 56.139 0.300 . 1 . . . . 25 ASP CA . 10068 1 248 . 1 1 25 25 ASP CB C 13 40.127 0.300 . 1 . . . . 25 ASP CB . 10068 1 249 . 1 1 25 25 ASP N N 15 118.716 0.300 . 1 . . . . 25 ASP N . 10068 1 250 . 1 1 26 26 VAL H H 1 7.160 0.030 . 1 . . . . 26 VAL H . 10068 1 251 . 1 1 26 26 VAL HA H 1 4.250 0.030 . 1 . . . . 26 VAL HA . 10068 1 252 . 1 1 26 26 VAL HB H 1 2.336 0.030 . 1 . . . . 26 VAL HB . 10068 1 253 . 1 1 26 26 VAL HG11 H 1 0.851 0.030 . 1 . . . . 26 VAL HG1 . 10068 1 254 . 1 1 26 26 VAL HG12 H 1 0.851 0.030 . 1 . . . . 26 VAL HG1 . 10068 1 255 . 1 1 26 26 VAL HG13 H 1 0.851 0.030 . 1 . . . . 26 VAL HG1 . 10068 1 256 . 1 1 26 26 VAL HG21 H 1 1.240 0.030 . 1 . . . . 26 VAL HG2 . 10068 1 257 . 1 1 26 26 VAL HG22 H 1 1.240 0.030 . 1 . . . . 26 VAL HG2 . 10068 1 258 . 1 1 26 26 VAL HG23 H 1 1.240 0.030 . 1 . . . . 26 VAL HG2 . 10068 1 259 . 1 1 26 26 VAL C C 13 176.671 0.300 . 1 . . . . 26 VAL C . 10068 1 260 . 1 1 26 26 VAL CA C 13 62.239 0.300 . 1 . . . . 26 VAL CA . 10068 1 261 . 1 1 26 26 VAL CB C 13 31.380 0.300 . 1 . . . . 26 VAL CB . 10068 1 262 . 1 1 26 26 VAL CG1 C 13 22.528 0.300 . 2 . . . . 26 VAL CG1 . 10068 1 263 . 1 1 26 26 VAL CG2 C 13 17.425 0.300 . 2 . . . . 26 VAL CG2 . 10068 1 264 . 1 1 26 26 VAL N N 15 109.392 0.300 . 1 . . . . 26 VAL N . 10068 1 265 . 1 1 27 27 GLY H H 1 7.840 0.030 . 1 . . . . 27 GLY H . 10068 1 266 . 1 1 27 27 GLY HA2 H 1 3.845 0.030 . 2 . . . . 27 GLY HA2 . 10068 1 267 . 1 1 27 27 GLY HA3 H 1 4.185 0.030 . 2 . . . . 27 GLY HA3 . 10068 1 268 . 1 1 27 27 GLY C C 13 171.913 0.300 . 1 . . . . 27 GLY C . 10068 1 269 . 1 1 27 27 GLY CA C 13 45.668 0.300 . 1 . . . . 27 GLY CA . 10068 1 270 . 1 1 27 27 GLY N N 15 110.597 0.300 . 1 . . . . 27 GLY N . 10068 1 271 . 1 1 28 28 ARG H H 1 7.823 0.030 . 1 . . . . 28 ARG H . 10068 1 272 . 1 1 28 28 ARG HA H 1 4.082 0.030 . 1 . . . . 28 ARG HA . 10068 1 273 . 1 1 28 28 ARG HB2 H 1 1.250 0.030 . 2 . . . . 28 ARG HB2 . 10068 1 274 . 1 1 28 28 ARG HB3 H 1 1.523 0.030 . 2 . . . . 28 ARG HB3 . 10068 1 275 . 1 1 28 28 ARG HG2 H 1 1.562 0.030 . 2 . . . . 28 ARG HG2 . 10068 1 276 . 1 1 28 28 ARG HG3 H 1 1.330 0.030 . 2 . . . . 28 ARG HG3 . 10068 1 277 . 1 1 28 28 ARG HD2 H 1 3.029 0.030 . 2 . . . . 28 ARG HD2 . 10068 1 278 . 1 1 28 28 ARG HD3 H 1 3.093 0.030 . 2 . . . . 28 ARG HD3 . 10068 1 279 . 1 1 28 28 ARG HE H 1 7.298 0.030 . 1 . . . . 28 ARG HE . 10068 1 280 . 1 1 28 28 ARG C C 13 173.002 0.300 . 1 . . . . 28 ARG C . 10068 1 281 . 1 1 28 28 ARG CA C 13 52.835 0.300 . 1 . . . . 28 ARG CA . 10068 1 282 . 1 1 28 28 ARG CB C 13 32.810 0.300 . 1 . . . . 28 ARG CB . 10068 1 283 . 1 1 28 28 ARG CG C 13 28.826 0.300 . 1 . . . . 28 ARG CG . 10068 1 284 . 1 1 28 28 ARG CD C 13 42.976 0.300 . 1 . . . . 28 ARG CD . 10068 1 285 . 1 1 28 28 ARG N N 15 117.700 0.300 . 1 . . . . 28 ARG N . 10068 1 286 . 1 1 28 28 ARG NE N 15 84.583 0.300 . 1 . . . . 28 ARG NE . 10068 1 287 . 1 1 29 29 PRO HA H 1 3.779 0.030 . 1 . . . . 29 PRO HA . 10068 1 288 . 1 1 29 29 PRO HB2 H 1 1.660 0.030 . 2 . . . . 29 PRO HB2 . 10068 1 289 . 1 1 29 29 PRO HB3 H 1 1.506 0.030 . 2 . . . . 29 PRO HB3 . 10068 1 290 . 1 1 29 29 PRO HG2 H 1 1.596 0.030 . 2 . . . . 29 PRO HG2 . 10068 1 291 . 1 1 29 29 PRO HG3 H 1 1.275 0.030 . 2 . . . . 29 PRO HG3 . 10068 1 292 . 1 1 29 29 PRO HD2 H 1 0.742 0.030 . 2 . . . . 29 PRO HD2 . 10068 1 293 . 1 1 29 29 PRO HD3 H 1 2.720 0.030 . 2 . . . . 29 PRO HD3 . 10068 1 294 . 1 1 29 29 PRO C C 13 176.867 0.300 . 1 . . . . 29 PRO C . 10068 1 295 . 1 1 29 29 PRO CA C 13 61.933 0.300 . 1 . . . . 29 PRO CA . 10068 1 296 . 1 1 29 29 PRO CB C 13 31.121 0.300 . 1 . . . . 29 PRO CB . 10068 1 297 . 1 1 29 29 PRO CG C 13 26.718 0.300 . 1 . . . . 29 PRO CG . 10068 1 298 . 1 1 29 29 PRO CD C 13 48.322 0.300 . 1 . . . . 29 PRO CD . 10068 1 299 . 1 1 30 30 ASP H H 1 8.564 0.030 . 1 . . . . 30 ASP H . 10068 1 300 . 1 1 30 30 ASP HA H 1 4.465 0.030 . 1 . . . . 30 ASP HA . 10068 1 301 . 1 1 30 30 ASP HB2 H 1 2.509 0.030 . 2 . . . . 30 ASP HB2 . 10068 1 302 . 1 1 30 30 ASP HB3 H 1 2.682 0.030 . 2 . . . . 30 ASP HB3 . 10068 1 303 . 1 1 30 30 ASP C C 13 175.836 0.300 . 1 . . . . 30 ASP C . 10068 1 304 . 1 1 30 30 ASP CA C 13 54.289 0.300 . 1 . . . . 30 ASP CA . 10068 1 305 . 1 1 30 30 ASP CB C 13 41.290 0.300 . 1 . . . . 30 ASP CB . 10068 1 306 . 1 1 30 30 ASP N N 15 121.269 0.300 . 1 . . . . 30 ASP N . 10068 1 307 . 1 1 31 31 ARG H H 1 8.275 0.030 . 1 . . . . 31 ARG H . 10068 1 308 . 1 1 31 31 ARG HA H 1 4.140 0.030 . 1 . . . . 31 ARG HA . 10068 1 309 . 1 1 31 31 ARG HB2 H 1 1.751 0.030 . 2 . . . . 31 ARG HB2 . 10068 1 310 . 1 1 31 31 ARG HB3 H 1 1.846 0.030 . 2 . . . . 31 ARG HB3 . 10068 1 311 . 1 1 31 31 ARG HG2 H 1 1.645 0.030 . 2 . . . . 31 ARG HG2 . 10068 1 312 . 1 1 31 31 ARG HG3 H 1 1.702 0.030 . 2 . . . . 31 ARG HG3 . 10068 1 313 . 1 1 31 31 ARG HD2 H 1 3.190 0.030 . 1 . . . . 31 ARG HD2 . 10068 1 314 . 1 1 31 31 ARG HD3 H 1 3.190 0.030 . 1 . . . . 31 ARG HD3 . 10068 1 315 . 1 1 31 31 ARG C C 13 177.259 0.300 . 1 . . . . 31 ARG C . 10068 1 316 . 1 1 31 31 ARG CA C 13 56.758 0.300 . 1 . . . . 31 ARG CA . 10068 1 317 . 1 1 31 31 ARG CB C 13 30.384 0.300 . 1 . . . . 31 ARG CB . 10068 1 318 . 1 1 31 31 ARG CG C 13 27.256 0.300 . 1 . . . . 31 ARG CG . 10068 1 319 . 1 1 31 31 ARG CD C 13 43.168 0.300 . 1 . . . . 31 ARG CD . 10068 1 320 . 1 1 31 31 ARG N N 15 119.200 0.300 . 1 . . . . 31 ARG N . 10068 1 321 . 1 1 32 32 GLY H H 1 8.458 0.030 . 1 . . . . 32 GLY H . 10068 1 322 . 1 1 32 32 GLY HA2 H 1 3.937 0.030 . 2 . . . . 32 GLY HA2 . 10068 1 323 . 1 1 32 32 GLY HA3 H 1 4.382 0.030 . 2 . . . . 32 GLY HA3 . 10068 1 324 . 1 1 32 32 GLY C C 13 175.029 0.300 . 1 . . . . 32 GLY C . 10068 1 325 . 1 1 32 32 GLY CA C 13 44.296 0.300 . 1 . . . . 32 GLY CA . 10068 1 326 . 1 1 32 32 GLY N N 15 110.498 0.300 . 1 . . . . 32 GLY N . 10068 1 327 . 1 1 33 33 ARG HA H 1 4.158 0.030 . 1 . . . . 33 ARG HA . 10068 1 328 . 1 1 33 33 ARG HB2 H 1 1.900 0.030 . 2 . . . . 33 ARG HB2 . 10068 1 329 . 1 1 33 33 ARG HB3 H 1 1.931 0.030 . 2 . . . . 33 ARG HB3 . 10068 1 330 . 1 1 33 33 ARG HG2 H 1 1.731 0.030 . 1 . . . . 33 ARG HG2 . 10068 1 331 . 1 1 33 33 ARG HG3 H 1 1.731 0.030 . 1 . . . . 33 ARG HG3 . 10068 1 332 . 1 1 33 33 ARG HD2 H 1 3.273 0.030 . 1 . . . . 33 ARG HD2 . 10068 1 333 . 1 1 33 33 ARG HD3 H 1 3.273 0.030 . 1 . . . . 33 ARG HD3 . 10068 1 334 . 1 1 33 33 ARG CA C 13 59.193 0.300 . 1 . . . . 33 ARG CA . 10068 1 335 . 1 1 33 33 ARG CB C 13 30.367 0.300 . 1 . . . . 33 ARG CB . 10068 1 336 . 1 1 33 33 ARG CG C 13 27.117 0.300 . 1 . . . . 33 ARG CG . 10068 1 337 . 1 1 33 33 ARG CD C 13 43.243 0.300 . 1 . . . . 33 ARG CD . 10068 1 338 . 1 1 34 34 LEU H H 1 8.512 0.030 . 1 . . . . 34 LEU H . 10068 1 339 . 1 1 34 34 LEU HA H 1 4.575 0.030 . 1 . . . . 34 LEU HA . 10068 1 340 . 1 1 34 34 LEU HB2 H 1 1.712 0.030 . 2 . . . . 34 LEU HB2 . 10068 1 341 . 1 1 34 34 LEU HB3 H 1 1.896 0.030 . 2 . . . . 34 LEU HB3 . 10068 1 342 . 1 1 34 34 LEU HG H 1 1.643 0.030 . 1 . . . . 34 LEU HG . 10068 1 343 . 1 1 34 34 LEU HD11 H 1 0.919 0.030 . 1 . . . . 34 LEU HD1 . 10068 1 344 . 1 1 34 34 LEU HD12 H 1 0.919 0.030 . 1 . . . . 34 LEU HD1 . 10068 1 345 . 1 1 34 34 LEU HD13 H 1 0.919 0.030 . 1 . . . . 34 LEU HD1 . 10068 1 346 . 1 1 34 34 LEU HD21 H 1 0.952 0.030 . 1 . . . . 34 LEU HD2 . 10068 1 347 . 1 1 34 34 LEU HD22 H 1 0.952 0.030 . 1 . . . . 34 LEU HD2 . 10068 1 348 . 1 1 34 34 LEU HD23 H 1 0.952 0.030 . 1 . . . . 34 LEU HD2 . 10068 1 349 . 1 1 34 34 LEU C C 13 177.707 0.300 . 1 . . . . 34 LEU C . 10068 1 350 . 1 1 34 34 LEU CA C 13 55.814 0.300 . 1 . . . . 34 LEU CA . 10068 1 351 . 1 1 34 34 LEU CB C 13 41.220 0.300 . 1 . . . . 34 LEU CB . 10068 1 352 . 1 1 34 34 LEU CG C 13 27.334 0.300 . 1 . . . . 34 LEU CG . 10068 1 353 . 1 1 34 34 LEU CD1 C 13 23.332 0.300 . 2 . . . . 34 LEU CD1 . 10068 1 354 . 1 1 34 34 LEU CD2 C 13 24.891 0.300 . 2 . . . . 34 LEU CD2 . 10068 1 355 . 1 1 34 34 LEU N N 15 118.989 0.300 . 1 . . . . 34 LEU N . 10068 1 356 . 1 1 35 35 GLY H H 1 7.770 0.030 . 1 . . . . 35 GLY H . 10068 1 357 . 1 1 35 35 GLY HA2 H 1 3.652 0.030 . 2 . . . . 35 GLY HA2 . 10068 1 358 . 1 1 35 35 GLY HA3 H 1 4.056 0.030 . 2 . . . . 35 GLY HA3 . 10068 1 359 . 1 1 35 35 GLY C C 13 177.010 0.300 . 1 . . . . 35 GLY C . 10068 1 360 . 1 1 35 35 GLY CA C 13 47.746 0.300 . 1 . . . . 35 GLY CA . 10068 1 361 . 1 1 35 35 GLY N N 15 106.796 0.300 . 1 . . . . 35 GLY N . 10068 1 362 . 1 1 36 36 PHE H H 1 8.836 0.030 . 1 . . . . 36 PHE H . 10068 1 363 . 1 1 36 36 PHE HA H 1 4.214 0.030 . 1 . . . . 36 PHE HA . 10068 1 364 . 1 1 36 36 PHE HB2 H 1 3.272 0.030 . 2 . . . . 36 PHE HB2 . 10068 1 365 . 1 1 36 36 PHE HB3 H 1 3.137 0.030 . 2 . . . . 36 PHE HB3 . 10068 1 366 . 1 1 36 36 PHE HD1 H 1 7.165 0.030 . 1 . . . . 36 PHE HD1 . 10068 1 367 . 1 1 36 36 PHE HD2 H 1 7.165 0.030 . 1 . . . . 36 PHE HD2 . 10068 1 368 . 1 1 36 36 PHE HE1 H 1 7.153 0.030 . 1 . . . . 36 PHE HE1 . 10068 1 369 . 1 1 36 36 PHE HE2 H 1 7.153 0.030 . 1 . . . . 36 PHE HE2 . 10068 1 370 . 1 1 36 36 PHE HZ H 1 7.028 0.030 . 1 . . . . 36 PHE HZ . 10068 1 371 . 1 1 36 36 PHE C C 13 175.836 0.300 . 1 . . . . 36 PHE C . 10068 1 372 . 1 1 36 36 PHE CA C 13 62.259 0.300 . 1 . . . . 36 PHE CA . 10068 1 373 . 1 1 36 36 PHE CB C 13 39.575 0.300 . 1 . . . . 36 PHE CB . 10068 1 374 . 1 1 36 36 PHE CD1 C 13 132.413 0.300 . 1 . . . . 36 PHE CD1 . 10068 1 375 . 1 1 36 36 PHE CD2 C 13 132.413 0.300 . 1 . . . . 36 PHE CD2 . 10068 1 376 . 1 1 36 36 PHE CE1 C 13 130.419 0.300 . 1 . . . . 36 PHE CE1 . 10068 1 377 . 1 1 36 36 PHE CE2 C 13 130.419 0.300 . 1 . . . . 36 PHE CE2 . 10068 1 378 . 1 1 36 36 PHE CZ C 13 128.780 0.300 . 1 . . . . 36 PHE CZ . 10068 1 379 . 1 1 36 36 PHE N N 15 125.108 0.300 . 1 . . . . 36 PHE N . 10068 1 380 . 1 1 37 37 GLN H H 1 8.095 0.030 . 1 . . . . 37 GLN H . 10068 1 381 . 1 1 37 37 GLN HA H 1 3.591 0.030 . 1 . . . . 37 GLN HA . 10068 1 382 . 1 1 37 37 GLN HB2 H 1 2.166 0.030 . 2 . . . . 37 GLN HB2 . 10068 1 383 . 1 1 37 37 GLN HB3 H 1 2.676 0.030 . 2 . . . . 37 GLN HB3 . 10068 1 384 . 1 1 37 37 GLN HG2 H 1 2.345 0.030 . 2 . . . . 37 GLN HG2 . 10068 1 385 . 1 1 37 37 GLN HG3 H 1 2.749 0.030 . 2 . . . . 37 GLN HG3 . 10068 1 386 . 1 1 37 37 GLN HE21 H 1 6.959 0.030 . 2 . . . . 37 GLN HE21 . 10068 1 387 . 1 1 37 37 GLN HE22 H 1 6.178 0.030 . 2 . . . . 37 GLN HE22 . 10068 1 388 . 1 1 37 37 GLN C C 13 178.205 0.300 . 1 . . . . 37 GLN C . 10068 1 389 . 1 1 37 37 GLN CA C 13 60.467 0.300 . 1 . . . . 37 GLN CA . 10068 1 390 . 1 1 37 37 GLN CB C 13 26.577 0.300 . 1 . . . . 37 GLN CB . 10068 1 391 . 1 1 37 37 GLN CG C 13 33.384 0.300 . 1 . . . . 37 GLN CG . 10068 1 392 . 1 1 37 37 GLN N N 15 118.265 0.300 . 1 . . . . 37 GLN N . 10068 1 393 . 1 1 37 37 GLN NE2 N 15 106.138 0.300 . 1 . . . . 37 GLN NE2 . 10068 1 394 . 1 1 38 38 VAL H H 1 8.465 0.030 . 1 . . . . 38 VAL H . 10068 1 395 . 1 1 38 38 VAL HA H 1 3.366 0.030 . 1 . . . . 38 VAL HA . 10068 1 396 . 1 1 38 38 VAL HB H 1 2.101 0.030 . 1 . . . . 38 VAL HB . 10068 1 397 . 1 1 38 38 VAL HG11 H 1 1.008 0.030 . 1 . . . . 38 VAL HG1 . 10068 1 398 . 1 1 38 38 VAL HG12 H 1 1.008 0.030 . 1 . . . . 38 VAL HG1 . 10068 1 399 . 1 1 38 38 VAL HG13 H 1 1.008 0.030 . 1 . . . . 38 VAL HG1 . 10068 1 400 . 1 1 38 38 VAL HG21 H 1 1.115 0.030 . 1 . . . . 38 VAL HG2 . 10068 1 401 . 1 1 38 38 VAL HG22 H 1 1.115 0.030 . 1 . . . . 38 VAL HG2 . 10068 1 402 . 1 1 38 38 VAL HG23 H 1 1.115 0.030 . 1 . . . . 38 VAL HG2 . 10068 1 403 . 1 1 38 38 VAL C C 13 178.156 0.300 . 1 . . . . 38 VAL C . 10068 1 404 . 1 1 38 38 VAL CA C 13 66.879 0.300 . 1 . . . . 38 VAL CA . 10068 1 405 . 1 1 38 38 VAL CB C 13 32.148 0.300 . 1 . . . . 38 VAL CB . 10068 1 406 . 1 1 38 38 VAL CG1 C 13 21.339 0.300 . 2 . . . . 38 VAL CG1 . 10068 1 407 . 1 1 38 38 VAL CG2 C 13 23.363 0.300 . 2 . . . . 38 VAL CG2 . 10068 1 408 . 1 1 38 38 VAL N N 15 118.196 0.300 . 1 . . . . 38 VAL N . 10068 1 409 . 1 1 39 39 TRP H H 1 8.021 0.030 . 1 . . . . 39 TRP H . 10068 1 410 . 1 1 39 39 TRP HA H 1 4.514 0.030 . 1 . . . . 39 TRP HA . 10068 1 411 . 1 1 39 39 TRP HB2 H 1 3.255 0.030 . 2 . . . . 39 TRP HB2 . 10068 1 412 . 1 1 39 39 TRP HB3 H 1 3.568 0.030 . 2 . . . . 39 TRP HB3 . 10068 1 413 . 1 1 39 39 TRP HD1 H 1 7.228 0.030 . 1 . . . . 39 TRP HD1 . 10068 1 414 . 1 1 39 39 TRP HE1 H 1 9.471 0.030 . 1 . . . . 39 TRP HE1 . 10068 1 415 . 1 1 39 39 TRP HE3 H 1 7.145 0.030 . 1 . . . . 39 TRP HE3 . 10068 1 416 . 1 1 39 39 TRP HZ2 H 1 7.355 0.030 . 1 . . . . 39 TRP HZ2 . 10068 1 417 . 1 1 39 39 TRP HZ3 H 1 6.875 0.030 . 1 . . . . 39 TRP HZ3 . 10068 1 418 . 1 1 39 39 TRP HH2 H 1 7.077 0.030 . 1 . . . . 39 TRP HH2 . 10068 1 419 . 1 1 39 39 TRP C C 13 177.619 0.300 . 1 . . . . 39 TRP C . 10068 1 420 . 1 1 39 39 TRP CA C 13 59.043 0.300 . 1 . . . . 39 TRP CA . 10068 1 421 . 1 1 39 39 TRP CB C 13 29.877 0.300 . 1 . . . . 39 TRP CB . 10068 1 422 . 1 1 39 39 TRP CD1 C 13 126.544 0.300 . 1 . . . . 39 TRP CD1 . 10068 1 423 . 1 1 39 39 TRP CE3 C 13 119.679 0.300 . 1 . . . . 39 TRP CE3 . 10068 1 424 . 1 1 39 39 TRP CZ2 C 13 115.177 0.300 . 1 . . . . 39 TRP CZ2 . 10068 1 425 . 1 1 39 39 TRP CZ3 C 13 121.139 0.300 . 1 . . . . 39 TRP CZ3 . 10068 1 426 . 1 1 39 39 TRP CH2 C 13 123.916 0.300 . 1 . . . . 39 TRP CH2 . 10068 1 427 . 1 1 39 39 TRP N N 15 121.052 0.300 . 1 . . . . 39 TRP N . 10068 1 428 . 1 1 39 39 TRP NE1 N 15 130.553 0.300 . 1 . . . . 39 TRP NE1 . 10068 1 429 . 1 1 40 40 LEU H H 1 7.162 0.030 . 1 . . . . 40 LEU H . 10068 1 430 . 1 1 40 40 LEU HA H 1 4.144 0.030 . 1 . . . . 40 LEU HA . 10068 1 431 . 1 1 40 40 LEU HB2 H 1 1.503 0.030 . 2 . . . . 40 LEU HB2 . 10068 1 432 . 1 1 40 40 LEU HB3 H 1 1.126 0.030 . 2 . . . . 40 LEU HB3 . 10068 1 433 . 1 1 40 40 LEU HG H 1 1.527 0.030 . 1 . . . . 40 LEU HG . 10068 1 434 . 1 1 40 40 LEU HD11 H 1 -0.022 0.030 . 1 . . . . 40 LEU HD1 . 10068 1 435 . 1 1 40 40 LEU HD12 H 1 -0.022 0.030 . 1 . . . . 40 LEU HD1 . 10068 1 436 . 1 1 40 40 LEU HD13 H 1 -0.022 0.030 . 1 . . . . 40 LEU HD1 . 10068 1 437 . 1 1 40 40 LEU HD21 H 1 -0.059 0.030 . 1 . . . . 40 LEU HD2 . 10068 1 438 . 1 1 40 40 LEU HD22 H 1 -0.059 0.030 . 1 . . . . 40 LEU HD2 . 10068 1 439 . 1 1 40 40 LEU HD23 H 1 -0.059 0.030 . 1 . . . . 40 LEU HD2 . 10068 1 440 . 1 1 40 40 LEU C C 13 178.918 0.300 . 1 . . . . 40 LEU C . 10068 1 441 . 1 1 40 40 LEU CA C 13 53.928 0.300 . 1 . . . . 40 LEU CA . 10068 1 442 . 1 1 40 40 LEU CB C 13 44.050 0.300 . 1 . . . . 40 LEU CB . 10068 1 443 . 1 1 40 40 LEU CG C 13 25.535 0.300 . 1 . . . . 40 LEU CG . 10068 1 444 . 1 1 40 40 LEU CD1 C 13 25.772 0.300 . 2 . . . . 40 LEU CD1 . 10068 1 445 . 1 1 40 40 LEU CD2 C 13 21.600 0.300 . 2 . . . . 40 LEU CD2 . 10068 1 446 . 1 1 40 40 LEU N N 15 112.220 0.300 . 1 . . . . 40 LEU N . 10068 1 447 . 1 1 41 41 LYS H H 1 7.708 0.030 . 1 . . . . 41 LYS H . 10068 1 448 . 1 1 41 41 LYS HA H 1 3.614 0.030 . 1 . . . . 41 LYS HA . 10068 1 449 . 1 1 41 41 LYS HB2 H 1 1.972 0.030 . 2 . . . . 41 LYS HB2 . 10068 1 450 . 1 1 41 41 LYS HB3 H 1 1.738 0.030 . 2 . . . . 41 LYS HB3 . 10068 1 451 . 1 1 41 41 LYS HG2 H 1 1.298 0.030 . 2 . . . . 41 LYS HG2 . 10068 1 452 . 1 1 41 41 LYS HG3 H 1 1.107 0.030 . 2 . . . . 41 LYS HG3 . 10068 1 453 . 1 1 41 41 LYS HD2 H 1 1.383 0.030 . 2 . . . . 41 LYS HD2 . 10068 1 454 . 1 1 41 41 LYS HD3 H 1 1.566 0.030 . 2 . . . . 41 LYS HD3 . 10068 1 455 . 1 1 41 41 LYS HE2 H 1 2.488 0.030 . 2 . . . . 41 LYS HE2 . 10068 1 456 . 1 1 41 41 LYS HE3 H 1 2.641 0.030 . 2 . . . . 41 LYS HE3 . 10068 1 457 . 1 1 41 41 LYS C C 13 173.531 0.300 . 1 . . . . 41 LYS C . 10068 1 458 . 1 1 41 41 LYS CA C 13 61.200 0.300 . 1 . . . . 41 LYS CA . 10068 1 459 . 1 1 41 41 LYS CB C 13 33.098 0.300 . 1 . . . . 41 LYS CB . 10068 1 460 . 1 1 41 41 LYS CG C 13 24.981 0.300 . 1 . . . . 41 LYS CG . 10068 1 461 . 1 1 41 41 LYS CD C 13 30.007 0.300 . 1 . . . . 41 LYS CD . 10068 1 462 . 1 1 41 41 LYS CE C 13 41.806 0.300 . 1 . . . . 41 LYS CE . 10068 1 463 . 1 1 41 41 LYS N N 15 122.024 0.300 . 1 . . . . 41 LYS N . 10068 1 464 . 1 1 42 42 ASN H H 1 8.073 0.030 . 1 . . . . 42 ASN H . 10068 1 465 . 1 1 42 42 ASN HA H 1 4.461 0.030 . 1 . . . . 42 ASN HA . 10068 1 466 . 1 1 42 42 ASN HB2 H 1 2.825 0.030 . 2 . . . . 42 ASN HB2 . 10068 1 467 . 1 1 42 42 ASN HB3 H 1 3.288 0.030 . 2 . . . . 42 ASN HB3 . 10068 1 468 . 1 1 42 42 ASN HD21 H 1 7.475 0.030 . 2 . . . . 42 ASN HD21 . 10068 1 469 . 1 1 42 42 ASN HD22 H 1 7.963 0.030 . 2 . . . . 42 ASN HD22 . 10068 1 470 . 1 1 42 42 ASN C C 13 176.007 0.300 . 1 . . . . 42 ASN C . 10068 1 471 . 1 1 42 42 ASN CA C 13 52.725 0.300 . 1 . . . . 42 ASN CA . 10068 1 472 . 1 1 42 42 ASN CB C 13 37.656 0.300 . 1 . . . . 42 ASN CB . 10068 1 473 . 1 1 42 42 ASN N N 15 108.604 0.300 . 1 . . . . 42 ASN N . 10068 1 474 . 1 1 42 42 ASN ND2 N 15 113.178 0.300 . 1 . . . . 42 ASN ND2 . 10068 1 475 . 1 1 43 43 GLY H H 1 7.532 0.030 . 1 . . . . 43 GLY H . 10068 1 476 . 1 1 43 43 GLY HA2 H 1 3.849 0.030 . 2 . . . . 43 GLY HA2 . 10068 1 477 . 1 1 43 43 GLY HA3 H 1 3.391 0.030 . 2 . . . . 43 GLY HA3 . 10068 1 478 . 1 1 43 43 GLY C C 13 176.381 0.300 . 1 . . . . 43 GLY C . 10068 1 479 . 1 1 43 43 GLY CA C 13 47.435 0.300 . 1 . . . . 43 GLY CA . 10068 1 480 . 1 1 43 43 GLY N N 15 100.551 0.300 . 1 . . . . 43 GLY N . 10068 1 481 . 1 1 44 44 VAL H H 1 8.222 0.030 . 1 . . . . 44 VAL H . 10068 1 482 . 1 1 44 44 VAL HA H 1 3.239 0.030 . 1 . . . . 44 VAL HA . 10068 1 483 . 1 1 44 44 VAL HB H 1 2.127 0.030 . 1 . . . . 44 VAL HB . 10068 1 484 . 1 1 44 44 VAL HG11 H 1 0.779 0.030 . 1 . . . . 44 VAL HG1 . 10068 1 485 . 1 1 44 44 VAL HG12 H 1 0.779 0.030 . 1 . . . . 44 VAL HG1 . 10068 1 486 . 1 1 44 44 VAL HG13 H 1 0.779 0.030 . 1 . . . . 44 VAL HG1 . 10068 1 487 . 1 1 44 44 VAL HG21 H 1 0.800 0.030 . 1 . . . . 44 VAL HG2 . 10068 1 488 . 1 1 44 44 VAL HG22 H 1 0.800 0.030 . 1 . . . . 44 VAL HG2 . 10068 1 489 . 1 1 44 44 VAL HG23 H 1 0.800 0.030 . 1 . . . . 44 VAL HG2 . 10068 1 490 . 1 1 44 44 VAL C C 13 176.792 0.300 . 1 . . . . 44 VAL C . 10068 1 491 . 1 1 44 44 VAL CA C 13 68.646 0.300 . 1 . . . . 44 VAL CA . 10068 1 492 . 1 1 44 44 VAL CB C 13 31.024 0.300 . 1 . . . . 44 VAL CB . 10068 1 493 . 1 1 44 44 VAL CG1 C 13 20.903 0.300 . 2 . . . . 44 VAL CG1 . 10068 1 494 . 1 1 44 44 VAL CG2 C 13 23.152 0.300 . 2 . . . . 44 VAL CG2 . 10068 1 495 . 1 1 44 44 VAL N N 15 124.457 0.300 . 1 . . . . 44 VAL N . 10068 1 496 . 1 1 45 45 ILE H H 1 7.971 0.030 . 1 . . . . 45 ILE H . 10068 1 497 . 1 1 45 45 ILE HA H 1 3.158 0.030 . 1 . . . . 45 ILE HA . 10068 1 498 . 1 1 45 45 ILE HB H 1 1.012 0.030 . 1 . . . . 45 ILE HB . 10068 1 499 . 1 1 45 45 ILE HG12 H 1 0.466 0.030 . 2 . . . . 45 ILE HG12 . 10068 1 500 . 1 1 45 45 ILE HG13 H 1 1.296 0.030 . 2 . . . . 45 ILE HG13 . 10068 1 501 . 1 1 45 45 ILE HG21 H 1 -0.072 0.030 . 1 . . . . 45 ILE HG2 . 10068 1 502 . 1 1 45 45 ILE HG22 H 1 -0.072 0.030 . 1 . . . . 45 ILE HG2 . 10068 1 503 . 1 1 45 45 ILE HG23 H 1 -0.072 0.030 . 1 . . . . 45 ILE HG2 . 10068 1 504 . 1 1 45 45 ILE HD11 H 1 -0.073 0.030 . 1 . . . . 45 ILE HD1 . 10068 1 505 . 1 1 45 45 ILE HD12 H 1 -0.073 0.030 . 1 . . . . 45 ILE HD1 . 10068 1 506 . 1 1 45 45 ILE HD13 H 1 -0.073 0.030 . 1 . . . . 45 ILE HD1 . 10068 1 507 . 1 1 45 45 ILE C C 13 177.469 0.300 . 1 . . . . 45 ILE C . 10068 1 508 . 1 1 45 45 ILE CA C 13 66.489 0.300 . 1 . . . . 45 ILE CA . 10068 1 509 . 1 1 45 45 ILE CB C 13 36.300 0.300 . 1 . . . . 45 ILE CB . 10068 1 510 . 1 1 45 45 ILE CG1 C 13 29.624 0.300 . 1 . . . . 45 ILE CG1 . 10068 1 511 . 1 1 45 45 ILE CG2 C 13 17.223 0.300 . 1 . . . . 45 ILE CG2 . 10068 1 512 . 1 1 45 45 ILE CD1 C 13 11.888 0.300 . 1 . . . . 45 ILE CD1 . 10068 1 513 . 1 1 45 45 ILE N N 15 120.074 0.300 . 1 . . . . 45 ILE N . 10068 1 514 . 1 1 46 46 LEU H H 1 8.821 0.030 . 1 . . . . 46 LEU H . 10068 1 515 . 1 1 46 46 LEU HA H 1 3.402 0.030 . 1 . . . . 46 LEU HA . 10068 1 516 . 1 1 46 46 LEU HB2 H 1 0.980 0.030 . 2 . . . . 46 LEU HB2 . 10068 1 517 . 1 1 46 46 LEU HB3 H 1 -0.002 0.030 . 2 . . . . 46 LEU HB3 . 10068 1 518 . 1 1 46 46 LEU HG H 1 1.474 0.030 . 1 . . . . 46 LEU HG . 10068 1 519 . 1 1 46 46 LEU HD11 H 1 0.545 0.030 . 1 . . . . 46 LEU HD1 . 10068 1 520 . 1 1 46 46 LEU HD12 H 1 0.545 0.030 . 1 . . . . 46 LEU HD1 . 10068 1 521 . 1 1 46 46 LEU HD13 H 1 0.545 0.030 . 1 . . . . 46 LEU HD1 . 10068 1 522 . 1 1 46 46 LEU HD21 H 1 0.259 0.030 . 1 . . . . 46 LEU HD2 . 10068 1 523 . 1 1 46 46 LEU HD22 H 1 0.259 0.030 . 1 . . . . 46 LEU HD2 . 10068 1 524 . 1 1 46 46 LEU HD23 H 1 0.259 0.030 . 1 . . . . 46 LEU HD2 . 10068 1 525 . 1 1 46 46 LEU C C 13 178.303 0.300 . 1 . . . . 46 LEU C . 10068 1 526 . 1 1 46 46 LEU CA C 13 57.417 0.300 . 1 . . . . 46 LEU CA . 10068 1 527 . 1 1 46 46 LEU CB C 13 39.034 0.300 . 1 . . . . 46 LEU CB . 10068 1 528 . 1 1 46 46 LEU CG C 13 25.950 0.300 . 1 . . . . 46 LEU CG . 10068 1 529 . 1 1 46 46 LEU CD1 C 13 26.240 0.300 . 2 . . . . 46 LEU CD1 . 10068 1 530 . 1 1 46 46 LEU CD2 C 13 22.939 0.300 . 2 . . . . 46 LEU CD2 . 10068 1 531 . 1 1 46 46 LEU N N 15 118.065 0.300 . 1 . . . . 46 LEU N . 10068 1 532 . 1 1 47 47 SER H H 1 7.541 0.030 . 1 . . . . 47 SER H . 10068 1 533 . 1 1 47 47 SER HA H 1 4.110 0.030 . 1 . . . . 47 SER HA . 10068 1 534 . 1 1 47 47 SER HB2 H 1 4.291 0.030 . 2 . . . . 47 SER HB2 . 10068 1 535 . 1 1 47 47 SER HB3 H 1 3.420 0.030 . 2 . . . . 47 SER HB3 . 10068 1 536 . 1 1 47 47 SER C C 13 174.401 0.300 . 1 . . . . 47 SER C . 10068 1 537 . 1 1 47 47 SER CA C 13 63.566 0.300 . 1 . . . . 47 SER CA . 10068 1 538 . 1 1 47 47 SER CB C 13 62.461 0.300 . 1 . . . . 47 SER CB . 10068 1 539 . 1 1 47 47 SER N N 15 114.890 0.300 . 1 . . . . 47 SER N . 10068 1 540 . 1 1 48 48 LYS H H 1 8.220 0.030 . 1 . . . . 48 LYS H . 10068 1 541 . 1 1 48 48 LYS HA H 1 3.957 0.030 . 1 . . . . 48 LYS HA . 10068 1 542 . 1 1 48 48 LYS HB2 H 1 2.001 0.030 . 2 . . . . 48 LYS HB2 . 10068 1 543 . 1 1 48 48 LYS HB3 H 1 1.768 0.030 . 2 . . . . 48 LYS HB3 . 10068 1 544 . 1 1 48 48 LYS HG2 H 1 1.408 0.030 . 2 . . . . 48 LYS HG2 . 10068 1 545 . 1 1 48 48 LYS HG3 H 1 1.601 0.030 . 2 . . . . 48 LYS HG3 . 10068 1 546 . 1 1 48 48 LYS HD2 H 1 1.314 0.030 . 2 . . . . 48 LYS HD2 . 10068 1 547 . 1 1 48 48 LYS HD3 H 1 1.528 0.030 . 2 . . . . 48 LYS HD3 . 10068 1 548 . 1 1 48 48 LYS HE2 H 1 2.694 0.030 . 2 . . . . 48 LYS HE2 . 10068 1 549 . 1 1 48 48 LYS HE3 H 1 2.799 0.030 . 2 . . . . 48 LYS HE3 . 10068 1 550 . 1 1 48 48 LYS C C 13 179.498 0.300 . 1 . . . . 48 LYS C . 10068 1 551 . 1 1 48 48 LYS CA C 13 60.141 0.300 . 1 . . . . 48 LYS CA . 10068 1 552 . 1 1 48 48 LYS CB C 13 32.708 0.300 . 1 . . . . 48 LYS CB . 10068 1 553 . 1 1 48 48 LYS CG C 13 26.638 0.300 . 1 . . . . 48 LYS CG . 10068 1 554 . 1 1 48 48 LYS CD C 13 30.239 0.300 . 1 . . . . 48 LYS CD . 10068 1 555 . 1 1 48 48 LYS CE C 13 42.057 0.300 . 1 . . . . 48 LYS CE . 10068 1 556 . 1 1 48 48 LYS N N 15 121.735 0.300 . 1 . . . . 48 LYS N . 10068 1 557 . 1 1 49 49 LEU H H 1 8.807 0.030 . 1 . . . . 49 LEU H . 10068 1 558 . 1 1 49 49 LEU HA H 1 3.790 0.030 . 1 . . . . 49 LEU HA . 10068 1 559 . 1 1 49 49 LEU HB2 H 1 0.976 0.030 . 2 . . . . 49 LEU HB2 . 10068 1 560 . 1 1 49 49 LEU HB3 H 1 2.184 0.030 . 2 . . . . 49 LEU HB3 . 10068 1 561 . 1 1 49 49 LEU HG H 1 1.025 0.030 . 1 . . . . 49 LEU HG . 10068 1 562 . 1 1 49 49 LEU HD11 H 1 -0.105 0.030 . 1 . . . . 49 LEU HD1 . 10068 1 563 . 1 1 49 49 LEU HD12 H 1 -0.105 0.030 . 1 . . . . 49 LEU HD1 . 10068 1 564 . 1 1 49 49 LEU HD13 H 1 -0.105 0.030 . 1 . . . . 49 LEU HD1 . 10068 1 565 . 1 1 49 49 LEU HD21 H 1 0.599 0.030 . 1 . . . . 49 LEU HD2 . 10068 1 566 . 1 1 49 49 LEU HD22 H 1 0.599 0.030 . 1 . . . . 49 LEU HD2 . 10068 1 567 . 1 1 49 49 LEU HD23 H 1 0.599 0.030 . 1 . . . . 49 LEU HD2 . 10068 1 568 . 1 1 49 49 LEU C C 13 179.304 0.300 . 1 . . . . 49 LEU C . 10068 1 569 . 1 1 49 49 LEU CA C 13 57.990 0.300 . 1 . . . . 49 LEU CA . 10068 1 570 . 1 1 49 49 LEU CB C 13 41.611 0.300 . 1 . . . . 49 LEU CB . 10068 1 571 . 1 1 49 49 LEU CG C 13 27.192 0.300 . 1 . . . . 49 LEU CG . 10068 1 572 . 1 1 49 49 LEU CD1 C 13 22.039 0.300 . 2 . . . . 49 LEU CD1 . 10068 1 573 . 1 1 49 49 LEU CD2 C 13 26.184 0.300 . 2 . . . . 49 LEU CD2 . 10068 1 574 . 1 1 49 49 LEU N N 15 123.094 0.300 . 1 . . . . 49 LEU N . 10068 1 575 . 1 1 50 50 VAL H H 1 8.327 0.030 . 1 . . . . 50 VAL H . 10068 1 576 . 1 1 50 50 VAL HA H 1 3.974 0.030 . 1 . . . . 50 VAL HA . 10068 1 577 . 1 1 50 50 VAL HB H 1 2.189 0.030 . 1 . . . . 50 VAL HB . 10068 1 578 . 1 1 50 50 VAL HG11 H 1 1.295 0.030 . 1 . . . . 50 VAL HG1 . 10068 1 579 . 1 1 50 50 VAL HG12 H 1 1.295 0.030 . 1 . . . . 50 VAL HG1 . 10068 1 580 . 1 1 50 50 VAL HG13 H 1 1.295 0.030 . 1 . . . . 50 VAL HG1 . 10068 1 581 . 1 1 50 50 VAL HG21 H 1 1.003 0.030 . 1 . . . . 50 VAL HG2 . 10068 1 582 . 1 1 50 50 VAL HG22 H 1 1.003 0.030 . 1 . . . . 50 VAL HG2 . 10068 1 583 . 1 1 50 50 VAL HG23 H 1 1.003 0.030 . 1 . . . . 50 VAL HG2 . 10068 1 584 . 1 1 50 50 VAL C C 13 176.792 0.300 . 1 . . . . 50 VAL C . 10068 1 585 . 1 1 50 50 VAL CA C 13 65.635 0.300 . 1 . . . . 50 VAL CA . 10068 1 586 . 1 1 50 50 VAL CB C 13 31.927 0.300 . 1 . . . . 50 VAL CB . 10068 1 587 . 1 1 50 50 VAL CG1 C 13 21.515 0.300 . 2 . . . . 50 VAL CG1 . 10068 1 588 . 1 1 50 50 VAL CG2 C 13 22.619 0.300 . 2 . . . . 50 VAL CG2 . 10068 1 589 . 1 1 50 50 VAL N N 15 119.690 0.300 . 1 . . . . 50 VAL N . 10068 1 590 . 1 1 51 51 ASN H H 1 8.040 0.030 . 1 . . . . 51 ASN H . 10068 1 591 . 1 1 51 51 ASN HA H 1 4.606 0.030 . 1 . . . . 51 ASN HA . 10068 1 592 . 1 1 51 51 ASN HB2 H 1 2.998 0.030 . 2 . . . . 51 ASN HB2 . 10068 1 593 . 1 1 51 51 ASN HB3 H 1 2.648 0.030 . 2 . . . . 51 ASN HB3 . 10068 1 594 . 1 1 51 51 ASN HD21 H 1 7.184 0.030 . 2 . . . . 51 ASN HD21 . 10068 1 595 . 1 1 51 51 ASN HD22 H 1 8.067 0.030 . 2 . . . . 51 ASN HD22 . 10068 1 596 . 1 1 51 51 ASN C C 13 178.913 0.300 . 1 . . . . 51 ASN C . 10068 1 597 . 1 1 51 51 ASN CA C 13 55.618 0.300 . 1 . . . . 51 ASN CA . 10068 1 598 . 1 1 51 51 ASN CB C 13 37.550 0.300 . 1 . . . . 51 ASN CB . 10068 1 599 . 1 1 51 51 ASN N N 15 121.168 0.300 . 1 . . . . 51 ASN N . 10068 1 600 . 1 1 51 51 ASN ND2 N 15 107.441 0.300 . 1 . . . . 51 ASN ND2 . 10068 1 601 . 1 1 52 52 SER H H 1 7.991 0.030 . 1 . . . . 52 SER H . 10068 1 602 . 1 1 52 52 SER HA H 1 4.406 0.030 . 1 . . . . 52 SER HA . 10068 1 603 . 1 1 52 52 SER HB2 H 1 4.095 0.030 . 2 . . . . 52 SER HB2 . 10068 1 604 . 1 1 52 52 SER HB3 H 1 4.033 0.030 . 2 . . . . 52 SER HB3 . 10068 1 605 . 1 1 52 52 SER C C 13 173.784 0.300 . 1 . . . . 52 SER C . 10068 1 606 . 1 1 52 52 SER CA C 13 61.177 0.300 . 1 . . . . 52 SER CA . 10068 1 607 . 1 1 52 52 SER CB C 13 62.777 0.300 . 1 . . . . 52 SER CB . 10068 1 608 . 1 1 52 52 SER N N 15 116.178 0.300 . 1 . . . . 52 SER N . 10068 1 609 . 1 1 53 53 LEU H H 1 7.411 0.030 . 1 . . . . 53 LEU H . 10068 1 610 . 1 1 53 53 LEU HA H 1 4.365 0.030 . 1 . . . . 53 LEU HA . 10068 1 611 . 1 1 53 53 LEU HB2 H 1 1.814 0.030 . 2 . . . . 53 LEU HB2 . 10068 1 612 . 1 1 53 53 LEU HB3 H 1 1.522 0.030 . 2 . . . . 53 LEU HB3 . 10068 1 613 . 1 1 53 53 LEU HG H 1 1.889 0.030 . 1 . . . . 53 LEU HG . 10068 1 614 . 1 1 53 53 LEU HD11 H 1 0.614 0.030 . 1 . . . . 53 LEU HD1 . 10068 1 615 . 1 1 53 53 LEU HD12 H 1 0.614 0.030 . 1 . . . . 53 LEU HD1 . 10068 1 616 . 1 1 53 53 LEU HD13 H 1 0.614 0.030 . 1 . . . . 53 LEU HD1 . 10068 1 617 . 1 1 53 53 LEU HD21 H 1 0.960 0.030 . 1 . . . . 53 LEU HD2 . 10068 1 618 . 1 1 53 53 LEU HD22 H 1 0.960 0.030 . 1 . . . . 53 LEU HD2 . 10068 1 619 . 1 1 53 53 LEU HD23 H 1 0.960 0.030 . 1 . . . . 53 LEU HD2 . 10068 1 620 . 1 1 53 53 LEU C C 13 175.947 0.300 . 1 . . . . 53 LEU C . 10068 1 621 . 1 1 53 53 LEU CA C 13 54.556 0.300 . 1 . . . . 53 LEU CA . 10068 1 622 . 1 1 53 53 LEU CB C 13 40.596 0.300 . 1 . . . . 53 LEU CB . 10068 1 623 . 1 1 53 53 LEU CG C 13 26.110 0.300 . 1 . . . . 53 LEU CG . 10068 1 624 . 1 1 53 53 LEU CD1 C 13 24.892 0.300 . 2 . . . . 53 LEU CD1 . 10068 1 625 . 1 1 53 53 LEU CD2 C 13 21.923 0.300 . 2 . . . . 53 LEU CD2 . 10068 1 626 . 1 1 53 53 LEU N N 15 119.601 0.300 . 1 . . . . 53 LEU N . 10068 1 627 . 1 1 54 54 TYR H H 1 7.938 0.030 . 1 . . . . 54 TYR H . 10068 1 628 . 1 1 54 54 TYR HA H 1 4.798 0.030 . 1 . . . . 54 TYR HA . 10068 1 629 . 1 1 54 54 TYR HB2 H 1 2.853 0.030 . 2 . . . . 54 TYR HB2 . 10068 1 630 . 1 1 54 54 TYR HB3 H 1 2.940 0.030 . 2 . . . . 54 TYR HB3 . 10068 1 631 . 1 1 54 54 TYR HD1 H 1 7.475 0.030 . 1 . . . . 54 TYR HD1 . 10068 1 632 . 1 1 54 54 TYR HD2 H 1 7.475 0.030 . 1 . . . . 54 TYR HD2 . 10068 1 633 . 1 1 54 54 TYR HE1 H 1 6.806 0.030 . 1 . . . . 54 TYR HE1 . 10068 1 634 . 1 1 54 54 TYR HE2 H 1 6.806 0.030 . 1 . . . . 54 TYR HE2 . 10068 1 635 . 1 1 54 54 TYR C C 13 172.758 0.300 . 1 . . . . 54 TYR C . 10068 1 636 . 1 1 54 54 TYR CA C 13 56.182 0.300 . 1 . . . . 54 TYR CA . 10068 1 637 . 1 1 54 54 TYR CB C 13 41.299 0.300 . 1 . . . . 54 TYR CB . 10068 1 638 . 1 1 54 54 TYR CD1 C 13 133.629 0.300 . 1 . . . . 54 TYR CD1 . 10068 1 639 . 1 1 54 54 TYR CD2 C 13 133.629 0.300 . 1 . . . . 54 TYR CD2 . 10068 1 640 . 1 1 54 54 TYR CE1 C 13 118.951 0.300 . 1 . . . . 54 TYR CE1 . 10068 1 641 . 1 1 54 54 TYR CE2 C 13 118.951 0.300 . 1 . . . . 54 TYR CE2 . 10068 1 642 . 1 1 54 54 TYR N N 15 120.815 0.300 . 1 . . . . 54 TYR N . 10068 1 643 . 1 1 55 55 PRO HA H 1 4.673 0.030 . 1 . . . . 55 PRO HA . 10068 1 644 . 1 1 55 55 PRO HB2 H 1 2.084 0.030 . 2 . . . . 55 PRO HB2 . 10068 1 645 . 1 1 55 55 PRO HB3 H 1 2.459 0.030 . 2 . . . . 55 PRO HB3 . 10068 1 646 . 1 1 55 55 PRO HG2 H 1 2.096 0.030 . 2 . . . . 55 PRO HG2 . 10068 1 647 . 1 1 55 55 PRO HG3 H 1 2.185 0.030 . 2 . . . . 55 PRO HG3 . 10068 1 648 . 1 1 55 55 PRO HD2 H 1 3.861 0.030 . 1 . . . . 55 PRO HD2 . 10068 1 649 . 1 1 55 55 PRO HD3 H 1 3.861 0.030 . 1 . . . . 55 PRO HD3 . 10068 1 650 . 1 1 55 55 PRO CA C 13 61.796 0.300 . 1 . . . . 55 PRO CA . 10068 1 651 . 1 1 55 55 PRO CB C 13 32.570 0.300 . 1 . . . . 55 PRO CB . 10068 1 652 . 1 1 55 55 PRO CG C 13 27.224 0.300 . 1 . . . . 55 PRO CG . 10068 1 653 . 1 1 55 55 PRO CD C 13 50.743 0.300 . 1 . . . . 55 PRO CD . 10068 1 654 . 1 1 56 56 GLU H H 1 8.654 0.030 . 1 . . . . 56 GLU H . 10068 1 655 . 1 1 56 56 GLU HA H 1 3.974 0.030 . 1 . . . . 56 GLU HA . 10068 1 656 . 1 1 56 56 GLU HB2 H 1 2.049 0.030 . 1 . . . . 56 GLU HB2 . 10068 1 657 . 1 1 56 56 GLU HB3 H 1 2.049 0.030 . 1 . . . . 56 GLU HB3 . 10068 1 658 . 1 1 56 56 GLU HG2 H 1 2.380 0.030 . 1 . . . . 56 GLU HG2 . 10068 1 659 . 1 1 56 56 GLU HG3 H 1 2.380 0.030 . 1 . . . . 56 GLU HG3 . 10068 1 660 . 1 1 56 56 GLU C C 13 177.583 0.300 . 1 . . . . 56 GLU C . 10068 1 661 . 1 1 56 56 GLU CA C 13 58.583 0.300 . 1 . . . . 56 GLU CA . 10068 1 662 . 1 1 56 56 GLU CB C 13 29.447 0.300 . 1 . . . . 56 GLU CB . 10068 1 663 . 1 1 56 56 GLU CG C 13 35.781 0.300 . 1 . . . . 56 GLU CG . 10068 1 664 . 1 1 56 56 GLU N N 15 119.900 0.300 . 1 . . . . 56 GLU N . 10068 1 665 . 1 1 57 57 GLY H H 1 8.922 0.030 . 1 . . . . 57 GLY H . 10068 1 666 . 1 1 57 57 GLY HA2 H 1 3.826 0.030 . 2 . . . . 57 GLY HA2 . 10068 1 667 . 1 1 57 57 GLY HA3 H 1 4.406 0.030 . 2 . . . . 57 GLY HA3 . 10068 1 668 . 1 1 57 57 GLY CA C 13 45.417 0.300 . 1 . . . . 57 GLY CA . 10068 1 669 . 1 1 57 57 GLY N N 15 114.085 0.300 . 1 . . . . 57 GLY N . 10068 1 670 . 1 1 58 58 SER H H 1 8.044 0.030 . 1 . . . . 58 SER H . 10068 1 671 . 1 1 58 58 SER HA H 1 4.772 0.030 . 1 . . . . 58 SER HA . 10068 1 672 . 1 1 58 58 SER HB2 H 1 3.774 0.030 . 2 . . . . 58 SER HB2 . 10068 1 673 . 1 1 58 58 SER HB3 H 1 4.207 0.030 . 2 . . . . 58 SER HB3 . 10068 1 674 . 1 1 58 58 SER C C 13 173.625 0.300 . 1 . . . . 58 SER C . 10068 1 675 . 1 1 58 58 SER CA C 13 56.746 0.300 . 1 . . . . 58 SER CA . 10068 1 676 . 1 1 58 58 SER CB C 13 64.463 0.300 . 1 . . . . 58 SER CB . 10068 1 677 . 1 1 58 58 SER N N 15 115.562 0.300 . 1 . . . . 58 SER N . 10068 1 678 . 1 1 59 59 LYS H H 1 7.940 0.030 . 1 . . . . 59 LYS H . 10068 1 679 . 1 1 59 59 LYS HA H 1 4.140 0.030 . 1 . . . . 59 LYS HA . 10068 1 680 . 1 1 59 59 LYS HB2 H 1 1.830 0.030 . 2 . . . . 59 LYS HB2 . 10068 1 681 . 1 1 59 59 LYS HB3 H 1 1.447 0.030 . 2 . . . . 59 LYS HB3 . 10068 1 682 . 1 1 59 59 LYS HG2 H 1 1.533 0.030 . 2 . . . . 59 LYS HG2 . 10068 1 683 . 1 1 59 59 LYS HG3 H 1 1.647 0.030 . 2 . . . . 59 LYS HG3 . 10068 1 684 . 1 1 59 59 LYS HE2 H 1 2.737 0.030 . 2 . . . . 59 LYS HE2 . 10068 1 685 . 1 1 59 59 LYS HE3 H 1 3.071 0.030 . 2 . . . . 59 LYS HE3 . 10068 1 686 . 1 1 59 59 LYS C C 13 177.106 0.300 . 1 . . . . 59 LYS C . 10068 1 687 . 1 1 59 59 LYS CA C 13 53.826 0.300 . 1 . . . . 59 LYS CA . 10068 1 688 . 1 1 59 59 LYS CB C 13 31.052 0.300 . 1 . . . . 59 LYS CB . 10068 1 689 . 1 1 59 59 LYS CG C 13 25.173 0.300 . 1 . . . . 59 LYS CG . 10068 1 690 . 1 1 59 59 LYS CE C 13 43.076 0.300 . 1 . . . . 59 LYS CE . 10068 1 691 . 1 1 59 59 LYS N N 15 122.364 0.300 . 1 . . . . 59 LYS N . 10068 1 692 . 1 1 60 60 PRO HA H 1 4.240 0.030 . 1 . . . . 60 PRO HA . 10068 1 693 . 1 1 60 60 PRO HB2 H 1 1.753 0.030 . 2 . . . . 60 PRO HB2 . 10068 1 694 . 1 1 60 60 PRO HB3 H 1 1.912 0.030 . 2 . . . . 60 PRO HB3 . 10068 1 695 . 1 1 60 60 PRO HG2 H 1 1.749 0.030 . 2 . . . . 60 PRO HG2 . 10068 1 696 . 1 1 60 60 PRO HG3 H 1 1.436 0.030 . 2 . . . . 60 PRO HG3 . 10068 1 697 . 1 1 60 60 PRO HD2 H 1 2.936 0.030 . 2 . . . . 60 PRO HD2 . 10068 1 698 . 1 1 60 60 PRO HD3 H 1 3.768 0.030 . 2 . . . . 60 PRO HD3 . 10068 1 699 . 1 1 60 60 PRO C C 13 177.285 0.300 . 1 . . . . 60 PRO C . 10068 1 700 . 1 1 60 60 PRO CA C 13 64.768 0.300 . 1 . . . . 60 PRO CA . 10068 1 701 . 1 1 60 60 PRO CB C 13 32.611 0.300 . 1 . . . . 60 PRO CB . 10068 1 702 . 1 1 60 60 PRO CG C 13 26.852 0.300 . 1 . . . . 60 PRO CG . 10068 1 703 . 1 1 60 60 PRO CD C 13 51.571 0.300 . 1 . . . . 60 PRO CD . 10068 1 704 . 1 1 61 61 VAL H H 1 8.679 0.030 . 1 . . . . 61 VAL H . 10068 1 705 . 1 1 61 61 VAL HA H 1 4.273 0.030 . 1 . . . . 61 VAL HA . 10068 1 706 . 1 1 61 61 VAL HB H 1 1.910 0.030 . 1 . . . . 61 VAL HB . 10068 1 707 . 1 1 61 61 VAL HG11 H 1 0.852 0.030 . 1 . . . . 61 VAL HG1 . 10068 1 708 . 1 1 61 61 VAL HG12 H 1 0.852 0.030 . 1 . . . . 61 VAL HG1 . 10068 1 709 . 1 1 61 61 VAL HG13 H 1 0.852 0.030 . 1 . . . . 61 VAL HG1 . 10068 1 710 . 1 1 61 61 VAL HG21 H 1 0.734 0.030 . 1 . . . . 61 VAL HG2 . 10068 1 711 . 1 1 61 61 VAL HG22 H 1 0.734 0.030 . 1 . . . . 61 VAL HG2 . 10068 1 712 . 1 1 61 61 VAL HG23 H 1 0.734 0.030 . 1 . . . . 61 VAL HG2 . 10068 1 713 . 1 1 61 61 VAL C C 13 176.092 0.300 . 1 . . . . 61 VAL C . 10068 1 714 . 1 1 61 61 VAL CA C 13 61.790 0.300 . 1 . . . . 61 VAL CA . 10068 1 715 . 1 1 61 61 VAL CB C 13 33.536 0.300 . 1 . . . . 61 VAL CB . 10068 1 716 . 1 1 61 61 VAL CG1 C 13 22.327 0.300 . 2 . . . . 61 VAL CG1 . 10068 1 717 . 1 1 61 61 VAL CG2 C 13 23.091 0.300 . 2 . . . . 61 VAL CG2 . 10068 1 718 . 1 1 61 61 VAL N N 15 120.220 0.300 . 1 . . . . 61 VAL N . 10068 1 719 . 1 1 62 62 LYS H H 1 8.854 0.030 . 1 . . . . 62 LYS H . 10068 1 720 . 1 1 62 62 LYS HA H 1 4.260 0.030 . 1 . . . . 62 LYS HA . 10068 1 721 . 1 1 62 62 LYS HB2 H 1 1.752 0.030 . 1 . . . . 62 LYS HB2 . 10068 1 722 . 1 1 62 62 LYS HB3 H 1 1.752 0.030 . 1 . . . . 62 LYS HB3 . 10068 1 723 . 1 1 62 62 LYS HG2 H 1 1.411 0.030 . 2 . . . . 62 LYS HG2 . 10068 1 724 . 1 1 62 62 LYS HG3 H 1 1.293 0.030 . 2 . . . . 62 LYS HG3 . 10068 1 725 . 1 1 62 62 LYS HD2 H 1 1.647 0.030 . 1 . . . . 62 LYS HD2 . 10068 1 726 . 1 1 62 62 LYS HD3 H 1 1.647 0.030 . 1 . . . . 62 LYS HD3 . 10068 1 727 . 1 1 62 62 LYS HE2 H 1 2.974 0.030 . 1 . . . . 62 LYS HE2 . 10068 1 728 . 1 1 62 62 LYS HE3 H 1 2.974 0.030 . 1 . . . . 62 LYS HE3 . 10068 1 729 . 1 1 62 62 LYS C C 13 175.494 0.300 . 1 . . . . 62 LYS C . 10068 1 730 . 1 1 62 62 LYS CA C 13 56.126 0.300 . 1 . . . . 62 LYS CA . 10068 1 731 . 1 1 62 62 LYS CB C 13 31.918 0.300 . 1 . . . . 62 LYS CB . 10068 1 732 . 1 1 62 62 LYS CG C 13 24.818 0.300 . 1 . . . . 62 LYS CG . 10068 1 733 . 1 1 62 62 LYS CD C 13 28.869 0.300 . 1 . . . . 62 LYS CD . 10068 1 734 . 1 1 62 62 LYS CE C 13 42.254 0.300 . 1 . . . . 62 LYS CE . 10068 1 735 . 1 1 62 62 LYS N N 15 129.748 0.300 . 1 . . . . 62 LYS N . 10068 1 736 . 1 1 63 63 VAL H H 1 8.702 0.030 . 1 . . . . 63 VAL H . 10068 1 737 . 1 1 63 63 VAL HA H 1 4.354 0.030 . 1 . . . . 63 VAL HA . 10068 1 738 . 1 1 63 63 VAL HB H 1 1.956 0.030 . 1 . . . . 63 VAL HB . 10068 1 739 . 1 1 63 63 VAL HG11 H 1 0.871 0.030 . 1 . . . . 63 VAL HG1 . 10068 1 740 . 1 1 63 63 VAL HG12 H 1 0.871 0.030 . 1 . . . . 63 VAL HG1 . 10068 1 741 . 1 1 63 63 VAL HG13 H 1 0.871 0.030 . 1 . . . . 63 VAL HG1 . 10068 1 742 . 1 1 63 63 VAL HG21 H 1 0.751 0.030 . 1 . . . . 63 VAL HG2 . 10068 1 743 . 1 1 63 63 VAL HG22 H 1 0.751 0.030 . 1 . . . . 63 VAL HG2 . 10068 1 744 . 1 1 63 63 VAL HG23 H 1 0.751 0.030 . 1 . . . . 63 VAL HG2 . 10068 1 745 . 1 1 63 63 VAL C C 13 174.028 0.300 . 1 . . . . 63 VAL C . 10068 1 746 . 1 1 63 63 VAL CA C 13 59.336 0.300 . 1 . . . . 63 VAL CA . 10068 1 747 . 1 1 63 63 VAL CB C 13 33.176 0.300 . 1 . . . . 63 VAL CB . 10068 1 748 . 1 1 63 63 VAL CG1 C 13 21.922 0.300 . 2 . . . . 63 VAL CG1 . 10068 1 749 . 1 1 63 63 VAL CG2 C 13 22.013 0.300 . 2 . . . . 63 VAL CG2 . 10068 1 750 . 1 1 63 63 VAL N N 15 128.430 0.300 . 1 . . . . 63 VAL N . 10068 1 751 . 1 1 64 64 PRO HA H 1 4.460 0.030 . 1 . . . . 64 PRO HA . 10068 1 752 . 1 1 64 64 PRO HB2 H 1 2.028 0.030 . 2 . . . . 64 PRO HB2 . 10068 1 753 . 1 1 64 64 PRO HB3 H 1 2.296 0.030 . 2 . . . . 64 PRO HB3 . 10068 1 754 . 1 1 64 64 PRO HG2 H 1 1.874 0.030 . 2 . . . . 64 PRO HG2 . 10068 1 755 . 1 1 64 64 PRO HG3 H 1 1.957 0.030 . 2 . . . . 64 PRO HG3 . 10068 1 756 . 1 1 64 64 PRO HD2 H 1 3.868 0.030 . 2 . . . . 64 PRO HD2 . 10068 1 757 . 1 1 64 64 PRO HD3 H 1 3.462 0.030 . 2 . . . . 64 PRO HD3 . 10068 1 758 . 1 1 64 64 PRO C C 13 176.188 0.300 . 1 . . . . 64 PRO C . 10068 1 759 . 1 1 64 64 PRO CA C 13 62.468 0.300 . 1 . . . . 64 PRO CA . 10068 1 760 . 1 1 64 64 PRO CB C 13 32.183 0.300 . 1 . . . . 64 PRO CB . 10068 1 761 . 1 1 64 64 PRO CG C 13 27.285 0.300 . 1 . . . . 64 PRO CG . 10068 1 762 . 1 1 64 64 PRO CD C 13 51.023 0.300 . 1 . . . . 64 PRO CD . 10068 1 763 . 1 1 65 65 GLU H H 1 8.614 0.030 . 1 . . . . 65 GLU H . 10068 1 764 . 1 1 65 65 GLU HA H 1 3.949 0.030 . 1 . . . . 65 GLU HA . 10068 1 765 . 1 1 65 65 GLU HB2 H 1 1.976 0.030 . 1 . . . . 65 GLU HB2 . 10068 1 766 . 1 1 65 65 GLU HB3 H 1 1.976 0.030 . 1 . . . . 65 GLU HB3 . 10068 1 767 . 1 1 65 65 GLU HG2 H 1 2.278 0.030 . 2 . . . . 65 GLU HG2 . 10068 1 768 . 1 1 65 65 GLU HG3 H 1 2.322 0.030 . 2 . . . . 65 GLU HG3 . 10068 1 769 . 1 1 65 65 GLU C C 13 176.237 0.300 . 1 . . . . 65 GLU C . 10068 1 770 . 1 1 65 65 GLU CA C 13 58.662 0.300 . 1 . . . . 65 GLU CA . 10068 1 771 . 1 1 65 65 GLU CB C 13 29.974 0.300 . 1 . . . . 65 GLU CB . 10068 1 772 . 1 1 65 65 GLU CG C 13 36.401 0.300 . 1 . . . . 65 GLU CG . 10068 1 773 . 1 1 65 65 GLU N N 15 121.331 0.300 . 1 . . . . 65 GLU N . 10068 1 774 . 1 1 66 66 ASN H H 1 7.852 0.030 . 1 . . . . 66 ASN H . 10068 1 775 . 1 1 66 66 ASN HA H 1 5.162 0.030 . 1 . . . . 66 ASN HA . 10068 1 776 . 1 1 66 66 ASN HB2 H 1 2.679 0.030 . 2 . . . . 66 ASN HB2 . 10068 1 777 . 1 1 66 66 ASN HB3 H 1 2.537 0.030 . 2 . . . . 66 ASN HB3 . 10068 1 778 . 1 1 66 66 ASN HD21 H 1 6.976 0.030 . 2 . . . . 66 ASN HD21 . 10068 1 779 . 1 1 66 66 ASN HD22 H 1 7.599 0.030 . 2 . . . . 66 ASN HD22 . 10068 1 780 . 1 1 66 66 ASN C C 13 172.154 0.300 . 1 . . . . 66 ASN C . 10068 1 781 . 1 1 66 66 ASN CA C 13 49.911 0.300 . 1 . . . . 66 ASN CA . 10068 1 782 . 1 1 66 66 ASN CB C 13 39.865 0.300 . 1 . . . . 66 ASN CB . 10068 1 783 . 1 1 66 66 ASN N N 15 115.259 0.300 . 1 . . . . 66 ASN N . 10068 1 784 . 1 1 66 66 ASN ND2 N 15 114.264 0.300 . 1 . . . . 66 ASN ND2 . 10068 1 785 . 1 1 67 67 PRO HA H 1 4.316 0.030 . 1 . . . . 67 PRO HA . 10068 1 786 . 1 1 67 67 PRO HB2 H 1 1.880 0.030 . 2 . . . . 67 PRO HB2 . 10068 1 787 . 1 1 67 67 PRO HB3 H 1 2.183 0.030 . 2 . . . . 67 PRO HB3 . 10068 1 788 . 1 1 67 67 PRO HG2 H 1 2.133 0.030 . 2 . . . . 67 PRO HG2 . 10068 1 789 . 1 1 67 67 PRO HG3 H 1 1.940 0.030 . 2 . . . . 67 PRO HG3 . 10068 1 790 . 1 1 67 67 PRO HD2 H 1 3.680 0.030 . 2 . . . . 67 PRO HD2 . 10068 1 791 . 1 1 67 67 PRO HD3 H 1 3.847 0.030 . 2 . . . . 67 PRO HD3 . 10068 1 792 . 1 1 67 67 PRO CA C 13 61.272 0.300 . 1 . . . . 67 PRO CA . 10068 1 793 . 1 1 67 67 PRO CB C 13 31.031 0.300 . 1 . . . . 67 PRO CB . 10068 1 794 . 1 1 67 67 PRO CG C 13 27.705 0.300 . 1 . . . . 67 PRO CG . 10068 1 795 . 1 1 67 67 PRO CD C 13 50.590 0.300 . 1 . . . . 67 PRO CD . 10068 1 796 . 1 1 68 68 PRO HA H 1 4.562 0.030 . 1 . . . . 68 PRO HA . 10068 1 797 . 1 1 68 68 PRO HB2 H 1 1.840 0.030 . 2 . . . . 68 PRO HB2 . 10068 1 798 . 1 1 68 68 PRO HB3 H 1 2.326 0.030 . 2 . . . . 68 PRO HB3 . 10068 1 799 . 1 1 68 68 PRO HG2 H 1 2.088 0.030 . 1 . . . . 68 PRO HG2 . 10068 1 800 . 1 1 68 68 PRO HG3 H 1 2.088 0.030 . 1 . . . . 68 PRO HG3 . 10068 1 801 . 1 1 68 68 PRO HD2 H 1 3.638 0.030 . 1 . . . . 68 PRO HD2 . 10068 1 802 . 1 1 68 68 PRO HD3 H 1 3.638 0.030 . 1 . . . . 68 PRO HD3 . 10068 1 803 . 1 1 68 68 PRO C C 13 176.188 0.300 . 1 . . . . 68 PRO C . 10068 1 804 . 1 1 68 68 PRO CA C 13 62.793 0.300 . 1 . . . . 68 PRO CA . 10068 1 805 . 1 1 68 68 PRO CB C 13 32.405 0.300 . 1 . . . . 68 PRO CB . 10068 1 806 . 1 1 68 68 PRO CG C 13 27.691 0.300 . 1 . . . . 68 PRO CG . 10068 1 807 . 1 1 68 68 PRO CD C 13 50.659 0.300 . 1 . . . . 68 PRO CD . 10068 1 808 . 1 1 69 69 SER HA H 1 4.457 0.030 . 1 . . . . 69 SER HA . 10068 1 809 . 1 1 69 69 SER HB2 H 1 3.880 0.030 . 2 . . . . 69 SER HB2 . 10068 1 810 . 1 1 69 69 SER HB3 H 1 3.967 0.030 . 2 . . . . 69 SER HB3 . 10068 1 811 . 1 1 69 69 SER C C 13 174.715 0.300 . 1 . . . . 69 SER C . 10068 1 812 . 1 1 69 69 SER CA C 13 59.020 0.300 . 1 . . . . 69 SER CA . 10068 1 813 . 1 1 69 69 SER CB C 13 64.220 0.300 . 1 . . . . 69 SER CB . 10068 1 814 . 1 1 70 70 MET H H 1 7.747 0.030 . 1 . . . . 70 MET H . 10068 1 815 . 1 1 70 70 MET HA H 1 4.609 0.030 . 1 . . . . 70 MET HA . 10068 1 816 . 1 1 70 70 MET HB2 H 1 2.129 0.030 . 2 . . . . 70 MET HB2 . 10068 1 817 . 1 1 70 70 MET HB3 H 1 1.859 0.030 . 2 . . . . 70 MET HB3 . 10068 1 818 . 1 1 70 70 MET HG2 H 1 2.728 0.030 . 2 . . . . 70 MET HG2 . 10068 1 819 . 1 1 70 70 MET HG3 H 1 2.813 0.030 . 2 . . . . 70 MET HG3 . 10068 1 820 . 1 1 70 70 MET HE1 H 1 2.254 0.030 . 1 . . . . 70 MET HE . 10068 1 821 . 1 1 70 70 MET HE2 H 1 2.254 0.030 . 1 . . . . 70 MET HE . 10068 1 822 . 1 1 70 70 MET HE3 H 1 2.254 0.030 . 1 . . . . 70 MET HE . 10068 1 823 . 1 1 70 70 MET C C 13 177.589 0.300 . 1 . . . . 70 MET C . 10068 1 824 . 1 1 70 70 MET CA C 13 55.644 0.300 . 1 . . . . 70 MET CA . 10068 1 825 . 1 1 70 70 MET CB C 13 33.709 0.300 . 1 . . . . 70 MET CB . 10068 1 826 . 1 1 70 70 MET CG C 13 32.547 0.300 . 1 . . . . 70 MET CG . 10068 1 827 . 1 1 70 70 MET CE C 13 17.662 0.300 . 1 . . . . 70 MET CE . 10068 1 828 . 1 1 70 70 MET N N 15 121.158 0.300 . 1 . . . . 70 MET N . 10068 1 829 . 1 1 71 71 VAL H H 1 8.806 0.030 . 1 . . . . 71 VAL H . 10068 1 830 . 1 1 71 71 VAL HA H 1 3.624 0.030 . 1 . . . . 71 VAL HA . 10068 1 831 . 1 1 71 71 VAL HB H 1 2.141 0.030 . 1 . . . . 71 VAL HB . 10068 1 832 . 1 1 71 71 VAL HG11 H 1 0.930 0.030 . 1 . . . . 71 VAL HG1 . 10068 1 833 . 1 1 71 71 VAL HG12 H 1 0.930 0.030 . 1 . . . . 71 VAL HG1 . 10068 1 834 . 1 1 71 71 VAL HG13 H 1 0.930 0.030 . 1 . . . . 71 VAL HG1 . 10068 1 835 . 1 1 71 71 VAL HG21 H 1 1.192 0.030 . 1 . . . . 71 VAL HG2 . 10068 1 836 . 1 1 71 71 VAL HG22 H 1 1.192 0.030 . 1 . . . . 71 VAL HG2 . 10068 1 837 . 1 1 71 71 VAL HG23 H 1 1.192 0.030 . 1 . . . . 71 VAL HG2 . 10068 1 838 . 1 1 71 71 VAL CA C 13 66.984 0.300 . 1 . . . . 71 VAL CA . 10068 1 839 . 1 1 71 71 VAL CB C 13 31.739 0.300 . 1 . . . . 71 VAL CB . 10068 1 840 . 1 1 71 71 VAL CG1 C 13 20.678 0.300 . 2 . . . . 71 VAL CG1 . 10068 1 841 . 1 1 71 71 VAL CG2 C 13 22.143 0.300 . 2 . . . . 71 VAL CG2 . 10068 1 842 . 1 1 71 71 VAL N N 15 126.653 0.300 . 1 . . . . 71 VAL N . 10068 1 843 . 1 1 72 72 PHE H H 1 8.518 0.030 . 1 . . . . 72 PHE H . 10068 1 844 . 1 1 72 72 PHE HA H 1 4.313 0.030 . 1 . . . . 72 PHE HA . 10068 1 845 . 1 1 72 72 PHE HB2 H 1 3.124 0.030 . 2 . . . . 72 PHE HB2 . 10068 1 846 . 1 1 72 72 PHE HB3 H 1 3.236 0.030 . 2 . . . . 72 PHE HB3 . 10068 1 847 . 1 1 72 72 PHE HD1 H 1 7.290 0.030 . 1 . . . . 72 PHE HD1 . 10068 1 848 . 1 1 72 72 PHE HD2 H 1 7.290 0.030 . 1 . . . . 72 PHE HD2 . 10068 1 849 . 1 1 72 72 PHE HE1 H 1 7.426 0.030 . 1 . . . . 72 PHE HE1 . 10068 1 850 . 1 1 72 72 PHE HE2 H 1 7.426 0.030 . 1 . . . . 72 PHE HE2 . 10068 1 851 . 1 1 72 72 PHE HZ H 1 7.365 0.030 . 1 . . . . 72 PHE HZ . 10068 1 852 . 1 1 72 72 PHE C C 13 177.985 0.300 . 1 . . . . 72 PHE C . 10068 1 853 . 1 1 72 72 PHE CA C 13 60.708 0.300 . 1 . . . . 72 PHE CA . 10068 1 854 . 1 1 72 72 PHE CB C 13 38.004 0.300 . 1 . . . . 72 PHE CB . 10068 1 855 . 1 1 72 72 PHE CD1 C 13 131.818 0.300 . 1 . . . . 72 PHE CD1 . 10068 1 856 . 1 1 72 72 PHE CD2 C 13 131.818 0.300 . 1 . . . . 72 PHE CD2 . 10068 1 857 . 1 1 72 72 PHE CE1 C 13 131.842 0.300 . 1 . . . . 72 PHE CE1 . 10068 1 858 . 1 1 72 72 PHE CE2 C 13 131.842 0.300 . 1 . . . . 72 PHE CE2 . 10068 1 859 . 1 1 72 72 PHE CZ C 13 130.418 0.300 . 1 . . . . 72 PHE CZ . 10068 1 860 . 1 1 72 72 PHE N N 15 116.635 0.300 . 1 . . . . 72 PHE N . 10068 1 861 . 1 1 73 73 LYS H H 1 6.564 0.030 . 1 . . . . 73 LYS H . 10068 1 862 . 1 1 73 73 LYS HA H 1 4.075 0.030 . 1 . . . . 73 LYS HA . 10068 1 863 . 1 1 73 73 LYS HB2 H 1 1.827 0.030 . 2 . . . . 73 LYS HB2 . 10068 1 864 . 1 1 73 73 LYS HB3 H 1 1.794 0.030 . 2 . . . . 73 LYS HB3 . 10068 1 865 . 1 1 73 73 LYS HG2 H 1 1.216 0.030 . 2 . . . . 73 LYS HG2 . 10068 1 866 . 1 1 73 73 LYS HG3 H 1 1.395 0.030 . 2 . . . . 73 LYS HG3 . 10068 1 867 . 1 1 73 73 LYS HD2 H 1 1.724 0.030 . 1 . . . . 73 LYS HD2 . 10068 1 868 . 1 1 73 73 LYS HD3 H 1 1.724 0.030 . 1 . . . . 73 LYS HD3 . 10068 1 869 . 1 1 73 73 LYS HE2 H 1 3.035 0.030 . 1 . . . . 73 LYS HE2 . 10068 1 870 . 1 1 73 73 LYS HE3 H 1 3.035 0.030 . 1 . . . . 73 LYS HE3 . 10068 1 871 . 1 1 73 73 LYS C C 13 179.329 0.300 . 1 . . . . 73 LYS C . 10068 1 872 . 1 1 73 73 LYS CA C 13 57.365 0.300 . 1 . . . . 73 LYS CA . 10068 1 873 . 1 1 73 73 LYS CB C 13 32.559 0.300 . 1 . . . . 73 LYS CB . 10068 1 874 . 1 1 73 73 LYS CG C 13 24.915 0.300 . 1 . . . . 73 LYS CG . 10068 1 875 . 1 1 73 73 LYS CD C 13 28.405 0.300 . 1 . . . . 73 LYS CD . 10068 1 876 . 1 1 73 73 LYS CE C 13 42.007 0.300 . 1 . . . . 73 LYS CE . 10068 1 877 . 1 1 73 73 LYS N N 15 117.803 0.300 . 1 . . . . 73 LYS N . 10068 1 878 . 1 1 74 74 GLN H H 1 7.870 0.030 . 1 . . . . 74 GLN H . 10068 1 879 . 1 1 74 74 GLN HA H 1 4.215 0.030 . 1 . . . . 74 GLN HA . 10068 1 880 . 1 1 74 74 GLN HB2 H 1 2.406 0.030 . 2 . . . . 74 GLN HB2 . 10068 1 881 . 1 1 74 74 GLN HB3 H 1 2.236 0.030 . 2 . . . . 74 GLN HB3 . 10068 1 882 . 1 1 74 74 GLN HG2 H 1 2.399 0.030 . 2 . . . . 74 GLN HG2 . 10068 1 883 . 1 1 74 74 GLN HG3 H 1 2.616 0.030 . 2 . . . . 74 GLN HG3 . 10068 1 884 . 1 1 74 74 GLN HE21 H 1 7.507 0.030 . 2 . . . . 74 GLN HE21 . 10068 1 885 . 1 1 74 74 GLN HE22 H 1 6.986 0.030 . 2 . . . . 74 GLN HE22 . 10068 1 886 . 1 1 74 74 GLN C C 13 177.710 0.300 . 1 . . . . 74 GLN C . 10068 1 887 . 1 1 74 74 GLN CA C 13 59.157 0.300 . 1 . . . . 74 GLN CA . 10068 1 888 . 1 1 74 74 GLN CB C 13 28.666 0.300 . 1 . . . . 74 GLN CB . 10068 1 889 . 1 1 74 74 GLN CG C 13 33.937 0.300 . 1 . . . . 74 GLN CG . 10068 1 890 . 1 1 74 74 GLN N N 15 121.710 0.300 . 1 . . . . 74 GLN N . 10068 1 891 . 1 1 74 74 GLN NE2 N 15 110.902 0.300 . 1 . . . . 74 GLN NE2 . 10068 1 892 . 1 1 75 75 MET H H 1 8.114 0.030 . 1 . . . . 75 MET H . 10068 1 893 . 1 1 75 75 MET HA H 1 3.607 0.030 . 1 . . . . 75 MET HA . 10068 1 894 . 1 1 75 75 MET HB2 H 1 1.361 0.030 . 2 . . . . 75 MET HB2 . 10068 1 895 . 1 1 75 75 MET HB3 H 1 1.921 0.030 . 2 . . . . 75 MET HB3 . 10068 1 896 . 1 1 75 75 MET HG2 H 1 1.943 0.030 . 2 . . . . 75 MET HG2 . 10068 1 897 . 1 1 75 75 MET HG3 H 1 2.045 0.030 . 2 . . . . 75 MET HG3 . 10068 1 898 . 1 1 75 75 MET HE1 H 1 1.902 0.030 . 1 . . . . 75 MET HE . 10068 1 899 . 1 1 75 75 MET HE2 H 1 1.902 0.030 . 1 . . . . 75 MET HE . 10068 1 900 . 1 1 75 75 MET HE3 H 1 1.902 0.030 . 1 . . . . 75 MET HE . 10068 1 901 . 1 1 75 75 MET C C 13 178.604 0.300 . 1 . . . . 75 MET C . 10068 1 902 . 1 1 75 75 MET CA C 13 60.141 0.300 . 1 . . . . 75 MET CA . 10068 1 903 . 1 1 75 75 MET CB C 13 32.248 0.300 . 1 . . . . 75 MET CB . 10068 1 904 . 1 1 75 75 MET CG C 13 32.631 0.300 . 1 . . . . 75 MET CG . 10068 1 905 . 1 1 75 75 MET CE C 13 17.034 0.300 . 1 . . . . 75 MET CE . 10068 1 906 . 1 1 75 75 MET N N 15 116.178 0.300 . 1 . . . . 75 MET N . 10068 1 907 . 1 1 76 76 GLU H H 1 7.760 0.030 . 1 . . . . 76 GLU H . 10068 1 908 . 1 1 76 76 GLU HA H 1 4.065 0.030 . 1 . . . . 76 GLU HA . 10068 1 909 . 1 1 76 76 GLU HB2 H 1 2.049 0.030 . 2 . . . . 76 GLU HB2 . 10068 1 910 . 1 1 76 76 GLU HB3 H 1 2.107 0.030 . 2 . . . . 76 GLU HB3 . 10068 1 911 . 1 1 76 76 GLU HG2 H 1 2.179 0.030 . 2 . . . . 76 GLU HG2 . 10068 1 912 . 1 1 76 76 GLU HG3 H 1 2.401 0.030 . 2 . . . . 76 GLU HG3 . 10068 1 913 . 1 1 76 76 GLU C C 13 178.327 0.300 . 1 . . . . 76 GLU C . 10068 1 914 . 1 1 76 76 GLU CA C 13 59.092 0.300 . 1 . . . . 76 GLU CA . 10068 1 915 . 1 1 76 76 GLU CB C 13 29.974 0.300 . 1 . . . . 76 GLU CB . 10068 1 916 . 1 1 76 76 GLU CG C 13 36.772 0.300 . 1 . . . . 76 GLU CG . 10068 1 917 . 1 1 76 76 GLU N N 15 118.661 0.300 . 1 . . . . 76 GLU N . 10068 1 918 . 1 1 77 77 GLN H H 1 7.694 0.030 . 1 . . . . 77 GLN H . 10068 1 919 . 1 1 77 77 GLN HA H 1 3.805 0.030 . 1 . . . . 77 GLN HA . 10068 1 920 . 1 1 77 77 GLN HB2 H 1 2.846 0.030 . 2 . . . . 77 GLN HB2 . 10068 1 921 . 1 1 77 77 GLN HB3 H 1 2.350 0.030 . 2 . . . . 77 GLN HB3 . 10068 1 922 . 1 1 77 77 GLN HG2 H 1 2.083 0.030 . 2 . . . . 77 GLN HG2 . 10068 1 923 . 1 1 77 77 GLN HG3 H 1 2.172 0.030 . 2 . . . . 77 GLN HG3 . 10068 1 924 . 1 1 77 77 GLN HE21 H 1 7.528 0.030 . 2 . . . . 77 GLN HE21 . 10068 1 925 . 1 1 77 77 GLN HE22 H 1 6.972 0.030 . 2 . . . . 77 GLN HE22 . 10068 1 926 . 1 1 77 77 GLN C C 13 178.773 0.300 . 1 . . . . 77 GLN C . 10068 1 927 . 1 1 77 77 GLN CA C 13 58.682 0.300 . 1 . . . . 77 GLN CA . 10068 1 928 . 1 1 77 77 GLN CB C 13 28.520 0.300 . 1 . . . . 77 GLN CB . 10068 1 929 . 1 1 77 77 GLN CG C 13 33.022 0.300 . 1 . . . . 77 GLN CG . 10068 1 930 . 1 1 77 77 GLN N N 15 122.010 0.300 . 1 . . . . 77 GLN N . 10068 1 931 . 1 1 77 77 GLN NE2 N 15 111.617 0.300 . 1 . . . . 77 GLN NE2 . 10068 1 932 . 1 1 78 78 VAL H H 1 7.894 0.030 . 1 . . . . 78 VAL H . 10068 1 933 . 1 1 78 78 VAL HA H 1 3.591 0.030 . 1 . . . . 78 VAL HA . 10068 1 934 . 1 1 78 78 VAL HB H 1 2.505 0.030 . 1 . . . . 78 VAL HB . 10068 1 935 . 1 1 78 78 VAL HG11 H 1 1.326 0.030 . 1 . . . . 78 VAL HG1 . 10068 1 936 . 1 1 78 78 VAL HG12 H 1 1.326 0.030 . 1 . . . . 78 VAL HG1 . 10068 1 937 . 1 1 78 78 VAL HG13 H 1 1.326 0.030 . 1 . . . . 78 VAL HG1 . 10068 1 938 . 1 1 78 78 VAL HG21 H 1 1.188 0.030 . 1 . . . . 78 VAL HG2 . 10068 1 939 . 1 1 78 78 VAL HG22 H 1 1.188 0.030 . 1 . . . . 78 VAL HG2 . 10068 1 940 . 1 1 78 78 VAL HG23 H 1 1.188 0.030 . 1 . . . . 78 VAL HG2 . 10068 1 941 . 1 1 78 78 VAL C C 13 177.855 0.300 . 1 . . . . 78 VAL C . 10068 1 942 . 1 1 78 78 VAL CA C 13 67.518 0.300 . 1 . . . . 78 VAL CA . 10068 1 943 . 1 1 78 78 VAL CB C 13 31.581 0.300 . 1 . . . . 78 VAL CB . 10068 1 944 . 1 1 78 78 VAL CG1 C 13 23.501 0.300 . 2 . . . . 78 VAL CG1 . 10068 1 945 . 1 1 78 78 VAL CG2 C 13 24.150 0.300 . 2 . . . . 78 VAL CG2 . 10068 1 946 . 1 1 78 78 VAL N N 15 118.548 0.300 . 1 . . . . 78 VAL N . 10068 1 947 . 1 1 79 79 ALA H H 1 8.398 0.030 . 1 . . . . 79 ALA H . 10068 1 948 . 1 1 79 79 ALA HA H 1 4.065 0.030 . 1 . . . . 79 ALA HA . 10068 1 949 . 1 1 79 79 ALA HB1 H 1 1.587 0.030 . 1 . . . . 79 ALA HB . 10068 1 950 . 1 1 79 79 ALA HB2 H 1 1.587 0.030 . 1 . . . . 79 ALA HB . 10068 1 951 . 1 1 79 79 ALA HB3 H 1 1.587 0.030 . 1 . . . . 79 ALA HB . 10068 1 952 . 1 1 79 79 ALA C C 13 180.965 0.300 . 1 . . . . 79 ALA C . 10068 1 953 . 1 1 79 79 ALA CA C 13 55.540 0.300 . 1 . . . . 79 ALA CA . 10068 1 954 . 1 1 79 79 ALA CB C 13 17.812 0.300 . 1 . . . . 79 ALA CB . 10068 1 955 . 1 1 79 79 ALA N N 15 121.735 0.300 . 1 . . . . 79 ALA N . 10068 1 956 . 1 1 80 80 GLN H H 1 8.279 0.030 . 1 . . . . 80 GLN H . 10068 1 957 . 1 1 80 80 GLN HA H 1 4.085 0.030 . 1 . . . . 80 GLN HA . 10068 1 958 . 1 1 80 80 GLN HB2 H 1 2.339 0.030 . 2 . . . . 80 GLN HB2 . 10068 1 959 . 1 1 80 80 GLN HB3 H 1 2.191 0.030 . 2 . . . . 80 GLN HB3 . 10068 1 960 . 1 1 80 80 GLN HG2 H 1 2.572 0.030 . 2 . . . . 80 GLN HG2 . 10068 1 961 . 1 1 80 80 GLN HG3 H 1 2.658 0.030 . 2 . . . . 80 GLN HG3 . 10068 1 962 . 1 1 80 80 GLN HE21 H 1 7.301 0.030 . 2 . . . . 80 GLN HE21 . 10068 1 963 . 1 1 80 80 GLN HE22 H 1 6.830 0.030 . 2 . . . . 80 GLN HE22 . 10068 1 964 . 1 1 80 80 GLN C C 13 179.573 0.300 . 1 . . . . 80 GLN C . 10068 1 965 . 1 1 80 80 GLN CA C 13 59.020 0.300 . 1 . . . . 80 GLN CA . 10068 1 966 . 1 1 80 80 GLN CB C 13 28.689 0.300 . 1 . . . . 80 GLN CB . 10068 1 967 . 1 1 80 80 GLN CG C 13 34.441 0.300 . 1 . . . . 80 GLN CG . 10068 1 968 . 1 1 80 80 GLN N N 15 118.891 0.300 . 1 . . . . 80 GLN N . 10068 1 969 . 1 1 80 80 GLN NE2 N 15 112.270 0.300 . 1 . . . . 80 GLN NE2 . 10068 1 970 . 1 1 81 81 PHE H H 1 7.852 0.030 . 1 . . . . 81 PHE H . 10068 1 971 . 1 1 81 81 PHE HA H 1 4.090 0.030 . 1 . . . . 81 PHE HA . 10068 1 972 . 1 1 81 81 PHE HB2 H 1 3.128 0.030 . 2 . . . . 81 PHE HB2 . 10068 1 973 . 1 1 81 81 PHE HB3 H 1 3.583 0.030 . 2 . . . . 81 PHE HB3 . 10068 1 974 . 1 1 81 81 PHE HD1 H 1 7.121 0.030 . 1 . . . . 81 PHE HD1 . 10068 1 975 . 1 1 81 81 PHE HD2 H 1 7.121 0.030 . 1 . . . . 81 PHE HD2 . 10068 1 976 . 1 1 81 81 PHE HZ H 1 6.999 0.030 . 1 . . . . 81 PHE HZ . 10068 1 977 . 1 1 81 81 PHE C C 13 175.391 0.300 . 1 . . . . 81 PHE C . 10068 1 978 . 1 1 81 81 PHE CA C 13 61.666 0.300 . 1 . . . . 81 PHE CA . 10068 1 979 . 1 1 81 81 PHE CB C 13 37.289 0.300 . 1 . . . . 81 PHE CB . 10068 1 980 . 1 1 81 81 PHE CD1 C 13 133.514 0.300 . 1 . . . . 81 PHE CD1 . 10068 1 981 . 1 1 81 81 PHE CD2 C 13 133.514 0.300 . 1 . . . . 81 PHE CD2 . 10068 1 982 . 1 1 81 81 PHE CZ C 13 128.370 0.300 . 1 . . . . 81 PHE CZ . 10068 1 983 . 1 1 81 81 PHE N N 15 121.148 0.300 . 1 . . . . 81 PHE N . 10068 1 984 . 1 1 82 82 LEU H H 1 8.249 0.030 . 1 . . . . 82 LEU H . 10068 1 985 . 1 1 82 82 LEU HA H 1 3.271 0.030 . 1 . . . . 82 LEU HA . 10068 1 986 . 1 1 82 82 LEU HB2 H 1 1.859 0.030 . 2 . . . . 82 LEU HB2 . 10068 1 987 . 1 1 82 82 LEU HB3 H 1 1.224 0.030 . 2 . . . . 82 LEU HB3 . 10068 1 988 . 1 1 82 82 LEU HG H 1 1.602 0.030 . 1 . . . . 82 LEU HG . 10068 1 989 . 1 1 82 82 LEU HD11 H 1 0.656 0.030 . 1 . . . . 82 LEU HD1 . 10068 1 990 . 1 1 82 82 LEU HD12 H 1 0.656 0.030 . 1 . . . . 82 LEU HD1 . 10068 1 991 . 1 1 82 82 LEU HD13 H 1 0.656 0.030 . 1 . . . . 82 LEU HD1 . 10068 1 992 . 1 1 82 82 LEU HD21 H 1 -0.121 0.030 . 1 . . . . 82 LEU HD2 . 10068 1 993 . 1 1 82 82 LEU HD22 H 1 -0.121 0.030 . 1 . . . . 82 LEU HD2 . 10068 1 994 . 1 1 82 82 LEU HD23 H 1 -0.121 0.030 . 1 . . . . 82 LEU HD2 . 10068 1 995 . 1 1 82 82 LEU C C 13 179.135 0.300 . 1 . . . . 82 LEU C . 10068 1 996 . 1 1 82 82 LEU CA C 13 57.873 0.300 . 1 . . . . 82 LEU CA . 10068 1 997 . 1 1 82 82 LEU CB C 13 41.263 0.300 . 1 . . . . 82 LEU CB . 10068 1 998 . 1 1 82 82 LEU CG C 13 26.922 0.300 . 1 . . . . 82 LEU CG . 10068 1 999 . 1 1 82 82 LEU CD1 C 13 25.806 0.300 . 2 . . . . 82 LEU CD1 . 10068 1 1000 . 1 1 82 82 LEU CD2 C 13 21.158 0.300 . 2 . . . . 82 LEU CD2 . 10068 1 1001 . 1 1 82 82 LEU N N 15 120.889 0.300 . 1 . . . . 82 LEU N . 10068 1 1002 . 1 1 83 83 LYS H H 1 7.692 0.030 . 1 . . . . 83 LYS H . 10068 1 1003 . 1 1 83 83 LYS HA H 1 4.048 0.030 . 1 . . . . 83 LYS HA . 10068 1 1004 . 1 1 83 83 LYS HB2 H 1 1.868 0.030 . 1 . . . . 83 LYS HB2 . 10068 1 1005 . 1 1 83 83 LYS HB3 H 1 1.868 0.030 . 1 . . . . 83 LYS HB3 . 10068 1 1006 . 1 1 83 83 LYS HG2 H 1 1.465 0.030 . 1 . . . . 83 LYS HG2 . 10068 1 1007 . 1 1 83 83 LYS HG3 H 1 1.465 0.030 . 1 . . . . 83 LYS HG3 . 10068 1 1008 . 1 1 83 83 LYS HD2 H 1 1.722 0.030 . 1 . . . . 83 LYS HD2 . 10068 1 1009 . 1 1 83 83 LYS HD3 H 1 1.722 0.030 . 1 . . . . 83 LYS HD3 . 10068 1 1010 . 1 1 83 83 LYS HE2 H 1 3.007 0.030 . 1 . . . . 83 LYS HE2 . 10068 1 1011 . 1 1 83 83 LYS HE3 H 1 3.007 0.030 . 1 . . . . 83 LYS HE3 . 10068 1 1012 . 1 1 83 83 LYS C C 13 178.327 0.300 . 1 . . . . 83 LYS C . 10068 1 1013 . 1 1 83 83 LYS CA C 13 58.753 0.300 . 1 . . . . 83 LYS CA . 10068 1 1014 . 1 1 83 83 LYS CB C 13 32.101 0.300 . 1 . . . . 83 LYS CB . 10068 1 1015 . 1 1 83 83 LYS CG C 13 24.649 0.300 . 1 . . . . 83 LYS CG . 10068 1 1016 . 1 1 83 83 LYS CD C 13 28.546 0.300 . 1 . . . . 83 LYS CD . 10068 1 1017 . 1 1 83 83 LYS CE C 13 42.336 0.300 . 1 . . . . 83 LYS CE . 10068 1 1018 . 1 1 83 83 LYS N N 15 119.317 0.300 . 1 . . . . 83 LYS N . 10068 1 1019 . 1 1 84 84 ALA H H 1 7.535 0.030 . 1 . . . . 84 ALA H . 10068 1 1020 . 1 1 84 84 ALA HA H 1 4.175 0.030 . 1 . . . . 84 ALA HA . 10068 1 1021 . 1 1 84 84 ALA HB1 H 1 1.356 0.030 . 1 . . . . 84 ALA HB . 10068 1 1022 . 1 1 84 84 ALA HB2 H 1 1.356 0.030 . 1 . . . . 84 ALA HB . 10068 1 1023 . 1 1 84 84 ALA HB3 H 1 1.356 0.030 . 1 . . . . 84 ALA HB . 10068 1 1024 . 1 1 84 84 ALA C C 13 180.150 0.300 . 1 . . . . 84 ALA C . 10068 1 1025 . 1 1 84 84 ALA CA C 13 54.347 0.300 . 1 . . . . 84 ALA CA . 10068 1 1026 . 1 1 84 84 ALA CB C 13 19.187 0.300 . 1 . . . . 84 ALA CB . 10068 1 1027 . 1 1 84 84 ALA N N 15 121.032 0.300 . 1 . . . . 84 ALA N . 10068 1 1028 . 1 1 85 85 ALA H H 1 8.730 0.030 . 1 . . . . 85 ALA H . 10068 1 1029 . 1 1 85 85 ALA HA H 1 3.782 0.030 . 1 . . . . 85 ALA HA . 10068 1 1030 . 1 1 85 85 ALA HB1 H 1 0.885 0.030 . 1 . . . . 85 ALA HB . 10068 1 1031 . 1 1 85 85 ALA HB2 H 1 0.885 0.030 . 1 . . . . 85 ALA HB . 10068 1 1032 . 1 1 85 85 ALA HB3 H 1 0.885 0.030 . 1 . . . . 85 ALA HB . 10068 1 1033 . 1 1 85 85 ALA C C 13 178.840 0.300 . 1 . . . . 85 ALA C . 10068 1 1034 . 1 1 85 85 ALA CA C 13 55.084 0.300 . 1 . . . . 85 ALA CA . 10068 1 1035 . 1 1 85 85 ALA CB C 13 16.394 0.300 . 1 . . . . 85 ALA CB . 10068 1 1036 . 1 1 85 85 ALA N N 15 122.512 0.300 . 1 . . . . 85 ALA N . 10068 1 1037 . 1 1 86 86 GLU H H 1 7.840 0.030 . 1 . . . . 86 GLU H . 10068 1 1038 . 1 1 86 86 GLU HA H 1 4.417 0.030 . 1 . . . . 86 GLU HA . 10068 1 1039 . 1 1 86 86 GLU HB2 H 1 2.098 0.030 . 2 . . . . 86 GLU HB2 . 10068 1 1040 . 1 1 86 86 GLU HB3 H 1 2.179 0.030 . 2 . . . . 86 GLU HB3 . 10068 1 1041 . 1 1 86 86 GLU HG2 H 1 2.190 0.030 . 2 . . . . 86 GLU HG2 . 10068 1 1042 . 1 1 86 86 GLU HG3 H 1 2.480 0.030 . 2 . . . . 86 GLU HG3 . 10068 1 1043 . 1 1 86 86 GLU C C 13 181.014 0.300 . 1 . . . . 86 GLU C . 10068 1 1044 . 1 1 86 86 GLU CA C 13 59.118 0.300 . 1 . . . . 86 GLU CA . 10068 1 1045 . 1 1 86 86 GLU CB C 13 29.548 0.300 . 1 . . . . 86 GLU CB . 10068 1 1046 . 1 1 86 86 GLU CG C 13 36.312 0.300 . 1 . . . . 86 GLU CG . 10068 1 1047 . 1 1 86 86 GLU N N 15 120.149 0.300 . 1 . . . . 86 GLU N . 10068 1 1048 . 1 1 87 87 ASP H H 1 8.244 0.030 . 1 . . . . 87 ASP H . 10068 1 1049 . 1 1 87 87 ASP HA H 1 4.356 0.030 . 1 . . . . 87 ASP HA . 10068 1 1050 . 1 1 87 87 ASP HB2 H 1 2.831 0.030 . 1 . . . . 87 ASP HB2 . 10068 1 1051 . 1 1 87 87 ASP HB3 H 1 2.831 0.030 . 1 . . . . 87 ASP HB3 . 10068 1 1052 . 1 1 87 87 ASP C C 13 178.145 0.300 . 1 . . . . 87 ASP C . 10068 1 1053 . 1 1 87 87 ASP CA C 13 57.338 0.300 . 1 . . . . 87 ASP CA . 10068 1 1054 . 1 1 87 87 ASP CB C 13 40.432 0.300 . 1 . . . . 87 ASP CB . 10068 1 1055 . 1 1 87 87 ASP N N 15 121.965 0.300 . 1 . . . . 87 ASP N . 10068 1 1056 . 1 1 88 88 TYR H H 1 8.267 0.030 . 1 . . . . 88 TYR H . 10068 1 1057 . 1 1 88 88 TYR HA H 1 4.158 0.030 . 1 . . . . 88 TYR HA . 10068 1 1058 . 1 1 88 88 TYR HB2 H 1 3.352 0.030 . 2 . . . . 88 TYR HB2 . 10068 1 1059 . 1 1 88 88 TYR HB3 H 1 3.054 0.030 . 2 . . . . 88 TYR HB3 . 10068 1 1060 . 1 1 88 88 TYR HD1 H 1 6.970 0.030 . 1 . . . . 88 TYR HD1 . 10068 1 1061 . 1 1 88 88 TYR HD2 H 1 6.970 0.030 . 1 . . . . 88 TYR HD2 . 10068 1 1062 . 1 1 88 88 TYR HE1 H 1 6.564 0.030 . 1 . . . . 88 TYR HE1 . 10068 1 1063 . 1 1 88 88 TYR HE2 H 1 6.564 0.030 . 1 . . . . 88 TYR HE2 . 10068 1 1064 . 1 1 88 88 TYR C C 13 175.874 0.300 . 1 . . . . 88 TYR C . 10068 1 1065 . 1 1 88 88 TYR CA C 13 60.689 0.300 . 1 . . . . 88 TYR CA . 10068 1 1066 . 1 1 88 88 TYR CB C 13 39.144 0.300 . 1 . . . . 88 TYR CB . 10068 1 1067 . 1 1 88 88 TYR CD1 C 13 133.658 0.300 . 1 . . . . 88 TYR CD1 . 10068 1 1068 . 1 1 88 88 TYR CD2 C 13 133.658 0.300 . 1 . . . . 88 TYR CD2 . 10068 1 1069 . 1 1 88 88 TYR CE1 C 13 117.759 0.300 . 1 . . . . 88 TYR CE1 . 10068 1 1070 . 1 1 88 88 TYR CE2 C 13 117.759 0.300 . 1 . . . . 88 TYR CE2 . 10068 1 1071 . 1 1 88 88 TYR N N 15 120.773 0.300 . 1 . . . . 88 TYR N . 10068 1 1072 . 1 1 89 89 GLY H H 1 7.423 0.030 . 1 . . . . 89 GLY H . 10068 1 1073 . 1 1 89 89 GLY HA2 H 1 3.541 0.030 . 2 . . . . 89 GLY HA2 . 10068 1 1074 . 1 1 89 89 GLY HA3 H 1 4.423 0.030 . 2 . . . . 89 GLY HA3 . 10068 1 1075 . 1 1 89 89 GLY C C 13 174.272 0.300 . 1 . . . . 89 GLY C . 10068 1 1076 . 1 1 89 89 GLY CA C 13 44.781 0.300 . 1 . . . . 89 GLY CA . 10068 1 1077 . 1 1 89 89 GLY N N 15 101.089 0.300 . 1 . . . . 89 GLY N . 10068 1 1078 . 1 1 90 90 VAL H H 1 7.887 0.030 . 1 . . . . 90 VAL H . 10068 1 1079 . 1 1 90 90 VAL HA H 1 3.915 0.030 . 1 . . . . 90 VAL HA . 10068 1 1080 . 1 1 90 90 VAL HB H 1 1.799 0.030 . 1 . . . . 90 VAL HB . 10068 1 1081 . 1 1 90 90 VAL HG11 H 1 1.089 0.030 . 1 . . . . 90 VAL HG1 . 10068 1 1082 . 1 1 90 90 VAL HG12 H 1 1.089 0.030 . 1 . . . . 90 VAL HG1 . 10068 1 1083 . 1 1 90 90 VAL HG13 H 1 1.089 0.030 . 1 . . . . 90 VAL HG1 . 10068 1 1084 . 1 1 90 90 VAL HG21 H 1 1.003 0.030 . 1 . . . . 90 VAL HG2 . 10068 1 1085 . 1 1 90 90 VAL HG22 H 1 1.003 0.030 . 1 . . . . 90 VAL HG2 . 10068 1 1086 . 1 1 90 90 VAL HG23 H 1 1.003 0.030 . 1 . . . . 90 VAL HG2 . 10068 1 1087 . 1 1 90 90 VAL C C 13 176.422 0.300 . 1 . . . . 90 VAL C . 10068 1 1088 . 1 1 90 90 VAL CA C 13 64.123 0.300 . 1 . . . . 90 VAL CA . 10068 1 1089 . 1 1 90 90 VAL CB C 13 31.536 0.300 . 1 . . . . 90 VAL CB . 10068 1 1090 . 1 1 90 90 VAL CG1 C 13 22.977 0.300 . 2 . . . . 90 VAL CG1 . 10068 1 1091 . 1 1 90 90 VAL CG2 C 13 23.407 0.300 . 2 . . . . 90 VAL CG2 . 10068 1 1092 . 1 1 90 90 VAL N N 15 124.086 0.300 . 1 . . . . 90 VAL N . 10068 1 1093 . 1 1 91 91 ILE H H 1 8.659 0.030 . 1 . . . . 91 ILE H . 10068 1 1094 . 1 1 91 91 ILE HA H 1 4.252 0.030 . 1 . . . . 91 ILE HA . 10068 1 1095 . 1 1 91 91 ILE HB H 1 2.133 0.030 . 1 . . . . 91 ILE HB . 10068 1 1096 . 1 1 91 91 ILE HG12 H 1 1.456 0.030 . 2 . . . . 91 ILE HG12 . 10068 1 1097 . 1 1 91 91 ILE HG13 H 1 1.318 0.030 . 2 . . . . 91 ILE HG13 . 10068 1 1098 . 1 1 91 91 ILE HG21 H 1 1.060 0.030 . 1 . . . . 91 ILE HG2 . 10068 1 1099 . 1 1 91 91 ILE HG22 H 1 1.060 0.030 . 1 . . . . 91 ILE HG2 . 10068 1 1100 . 1 1 91 91 ILE HG23 H 1 1.060 0.030 . 1 . . . . 91 ILE HG2 . 10068 1 1101 . 1 1 91 91 ILE HD11 H 1 0.892 0.030 . 1 . . . . 91 ILE HD1 . 10068 1 1102 . 1 1 91 91 ILE HD12 H 1 0.892 0.030 . 1 . . . . 91 ILE HD1 . 10068 1 1103 . 1 1 91 91 ILE HD13 H 1 0.892 0.030 . 1 . . . . 91 ILE HD1 . 10068 1 1104 . 1 1 91 91 ILE C C 13 178.864 0.300 . 1 . . . . 91 ILE C . 10068 1 1105 . 1 1 91 91 ILE CA C 13 61.803 0.300 . 1 . . . . 91 ILE CA . 10068 1 1106 . 1 1 91 91 ILE CB C 13 38.643 0.300 . 1 . . . . 91 ILE CB . 10068 1 1107 . 1 1 91 91 ILE CG1 C 13 26.720 0.300 . 1 . . . . 91 ILE CG1 . 10068 1 1108 . 1 1 91 91 ILE CG2 C 13 17.974 0.300 . 1 . . . . 91 ILE CG2 . 10068 1 1109 . 1 1 91 91 ILE CD1 C 13 13.859 0.300 . 1 . . . . 91 ILE CD1 . 10068 1 1110 . 1 1 91 91 ILE N N 15 125.472 0.300 . 1 . . . . 91 ILE N . 10068 1 1111 . 1 1 92 92 LYS H H 1 8.441 0.030 . 1 . . . . 92 LYS H . 10068 1 1112 . 1 1 92 92 LYS HA H 1 3.891 0.030 . 1 . . . . 92 LYS HA . 10068 1 1113 . 1 1 92 92 LYS HB2 H 1 1.918 0.030 . 2 . . . . 92 LYS HB2 . 10068 1 1114 . 1 1 92 92 LYS HB3 H 1 1.846 0.030 . 2 . . . . 92 LYS HB3 . 10068 1 1115 . 1 1 92 92 LYS HG2 H 1 1.478 0.030 . 2 . . . . 92 LYS HG2 . 10068 1 1116 . 1 1 92 92 LYS HG3 H 1 1.523 0.030 . 2 . . . . 92 LYS HG3 . 10068 1 1117 . 1 1 92 92 LYS HD2 H 1 1.712 0.030 . 1 . . . . 92 LYS HD2 . 10068 1 1118 . 1 1 92 92 LYS HD3 H 1 1.712 0.030 . 1 . . . . 92 LYS HD3 . 10068 1 1119 . 1 1 92 92 LYS HE2 H 1 3.014 0.030 . 1 . . . . 92 LYS HE2 . 10068 1 1120 . 1 1 92 92 LYS HE3 H 1 3.014 0.030 . 1 . . . . 92 LYS HE3 . 10068 1 1121 . 1 1 92 92 LYS C C 13 179.691 0.300 . 1 . . . . 92 LYS C . 10068 1 1122 . 1 1 92 92 LYS CA C 13 60.271 0.300 . 1 . . . . 92 LYS CA . 10068 1 1123 . 1 1 92 92 LYS CB C 13 32.473 0.300 . 1 . . . . 92 LYS CB . 10068 1 1124 . 1 1 92 92 LYS CG C 13 24.696 0.300 . 1 . . . . 92 LYS CG . 10068 1 1125 . 1 1 92 92 LYS CD C 13 28.900 0.300 . 1 . . . . 92 LYS CD . 10068 1 1126 . 1 1 92 92 LYS CE C 13 41.842 0.300 . 1 . . . . 92 LYS CE . 10068 1 1127 . 1 1 92 92 LYS N N 15 122.545 0.300 . 1 . . . . 92 LYS N . 10068 1 1128 . 1 1 93 93 THR H H 1 7.448 0.030 . 1 . . . . 93 THR H . 10068 1 1129 . 1 1 93 93 THR HA H 1 4.132 0.030 . 1 . . . . 93 THR HA . 10068 1 1130 . 1 1 93 93 THR HB H 1 4.362 0.030 . 1 . . . . 93 THR HB . 10068 1 1131 . 1 1 93 93 THR HG21 H 1 1.283 0.030 . 1 . . . . 93 THR HG2 . 10068 1 1132 . 1 1 93 93 THR HG22 H 1 1.283 0.030 . 1 . . . . 93 THR HG2 . 10068 1 1133 . 1 1 93 93 THR HG23 H 1 1.283 0.030 . 1 . . . . 93 THR HG2 . 10068 1 1134 . 1 1 93 93 THR C C 13 174.932 0.300 . 1 . . . . 93 THR C . 10068 1 1135 . 1 1 93 93 THR CA C 13 63.732 0.300 . 1 . . . . 93 THR CA . 10068 1 1136 . 1 1 93 93 THR CB C 13 68.196 0.300 . 1 . . . . 93 THR CB . 10068 1 1137 . 1 1 93 93 THR CG2 C 13 22.470 0.300 . 1 . . . . 93 THR CG2 . 10068 1 1138 . 1 1 93 93 THR N N 15 106.711 0.300 . 1 . . . . 93 THR N . 10068 1 1139 . 1 1 94 94 ASP H H 1 7.846 0.030 . 1 . . . . 94 ASP H . 10068 1 1140 . 1 1 94 94 ASP HA H 1 4.931 0.030 . 1 . . . . 94 ASP HA . 10068 1 1141 . 1 1 94 94 ASP HB2 H 1 2.638 0.030 . 2 . . . . 94 ASP HB2 . 10068 1 1142 . 1 1 94 94 ASP HB3 H 1 2.796 0.030 . 2 . . . . 94 ASP HB3 . 10068 1 1143 . 1 1 94 94 ASP C C 13 176.285 0.300 . 1 . . . . 94 ASP C . 10068 1 1144 . 1 1 94 94 ASP CA C 13 54.321 0.300 . 1 . . . . 94 ASP CA . 10068 1 1145 . 1 1 94 94 ASP CB C 13 41.904 0.300 . 1 . . . . 94 ASP CB . 10068 1 1146 . 1 1 94 94 ASP N N 15 120.142 0.300 . 1 . . . . 94 ASP N . 10068 1 1147 . 1 1 95 95 MET H H 1 7.250 0.030 . 1 . . . . 95 MET H . 10068 1 1148 . 1 1 95 95 MET HA H 1 4.596 0.030 . 1 . . . . 95 MET HA . 10068 1 1149 . 1 1 95 95 MET HB2 H 1 2.180 0.030 . 2 . . . . 95 MET HB2 . 10068 1 1150 . 1 1 95 95 MET HB3 H 1 1.990 0.030 . 2 . . . . 95 MET HB3 . 10068 1 1151 . 1 1 95 95 MET HG2 H 1 2.412 0.030 . 2 . . . . 95 MET HG2 . 10068 1 1152 . 1 1 95 95 MET HG3 H 1 2.619 0.030 . 2 . . . . 95 MET HG3 . 10068 1 1153 . 1 1 95 95 MET HE1 H 1 1.920 0.030 . 1 . . . . 95 MET HE . 10068 1 1154 . 1 1 95 95 MET HE2 H 1 1.920 0.030 . 1 . . . . 95 MET HE . 10068 1 1155 . 1 1 95 95 MET HE3 H 1 1.920 0.030 . 1 . . . . 95 MET HE . 10068 1 1156 . 1 1 95 95 MET C C 13 175.560 0.300 . 1 . . . . 95 MET C . 10068 1 1157 . 1 1 95 95 MET CA C 13 54.992 0.300 . 1 . . . . 95 MET CA . 10068 1 1158 . 1 1 95 95 MET CB C 13 33.234 0.300 . 1 . . . . 95 MET CB . 10068 1 1159 . 1 1 95 95 MET CG C 13 32.197 0.300 . 1 . . . . 95 MET CG . 10068 1 1160 . 1 1 95 95 MET CE C 13 17.509 0.300 . 1 . . . . 95 MET CE . 10068 1 1161 . 1 1 95 95 MET N N 15 120.001 0.300 . 1 . . . . 95 MET N . 10068 1 1162 . 1 1 96 96 PHE H H 1 6.832 0.030 . 1 . . . . 96 PHE H . 10068 1 1163 . 1 1 96 96 PHE HA H 1 4.931 0.030 . 1 . . . . 96 PHE HA . 10068 1 1164 . 1 1 96 96 PHE HB2 H 1 3.886 0.030 . 2 . . . . 96 PHE HB2 . 10068 1 1165 . 1 1 96 96 PHE HB3 H 1 2.858 0.030 . 2 . . . . 96 PHE HB3 . 10068 1 1166 . 1 1 96 96 PHE HD1 H 1 7.977 0.030 . 1 . . . . 96 PHE HD1 . 10068 1 1167 . 1 1 96 96 PHE HD2 H 1 7.977 0.030 . 1 . . . . 96 PHE HD2 . 10068 1 1168 . 1 1 96 96 PHE HE1 H 1 7.280 0.030 . 1 . . . . 96 PHE HE1 . 10068 1 1169 . 1 1 96 96 PHE HE2 H 1 7.280 0.030 . 1 . . . . 96 PHE HE2 . 10068 1 1170 . 1 1 96 96 PHE HZ H 1 7.132 0.030 . 1 . . . . 96 PHE HZ . 10068 1 1171 . 1 1 96 96 PHE C C 13 172.480 0.300 . 1 . . . . 96 PHE C . 10068 1 1172 . 1 1 96 96 PHE CA C 13 55.299 0.300 . 1 . . . . 96 PHE CA . 10068 1 1173 . 1 1 96 96 PHE CB C 13 39.088 0.300 . 1 . . . . 96 PHE CB . 10068 1 1174 . 1 1 96 96 PHE CD1 C 13 134.977 0.300 . 1 . . . . 96 PHE CD1 . 10068 1 1175 . 1 1 96 96 PHE CD2 C 13 134.977 0.300 . 1 . . . . 96 PHE CD2 . 10068 1 1176 . 1 1 96 96 PHE CE1 C 13 130.982 0.300 . 1 . . . . 96 PHE CE1 . 10068 1 1177 . 1 1 96 96 PHE CE2 C 13 130.982 0.300 . 1 . . . . 96 PHE CE2 . 10068 1 1178 . 1 1 96 96 PHE CZ C 13 129.087 0.300 . 1 . . . . 96 PHE CZ . 10068 1 1179 . 1 1 96 96 PHE N N 15 119.241 0.300 . 1 . . . . 96 PHE N . 10068 1 1180 . 1 1 97 97 GLN H H 1 9.413 0.030 . 1 . . . . 97 GLN H . 10068 1 1181 . 1 1 97 97 GLN HA H 1 4.723 0.030 . 1 . . . . 97 GLN HA . 10068 1 1182 . 1 1 97 97 GLN HB2 H 1 1.993 0.030 . 2 . . . . 97 GLN HB2 . 10068 1 1183 . 1 1 97 97 GLN HB3 H 1 2.340 0.030 . 2 . . . . 97 GLN HB3 . 10068 1 1184 . 1 1 97 97 GLN HG2 H 1 2.480 0.030 . 2 . . . . 97 GLN HG2 . 10068 1 1185 . 1 1 97 97 GLN HG3 H 1 2.510 0.030 . 2 . . . . 97 GLN HG3 . 10068 1 1186 . 1 1 97 97 GLN HE21 H 1 6.822 0.030 . 2 . . . . 97 GLN HE21 . 10068 1 1187 . 1 1 97 97 GLN HE22 H 1 7.781 0.030 . 2 . . . . 97 GLN HE22 . 10068 1 1188 . 1 1 97 97 GLN C C 13 178.229 0.300 . 1 . . . . 97 GLN C . 10068 1 1189 . 1 1 97 97 GLN CA C 13 54.002 0.300 . 1 . . . . 97 GLN CA . 10068 1 1190 . 1 1 97 97 GLN CB C 13 30.778 0.300 . 1 . . . . 97 GLN CB . 10068 1 1191 . 1 1 97 97 GLN CG C 13 34.084 0.300 . 1 . . . . 97 GLN CG . 10068 1 1192 . 1 1 97 97 GLN N N 15 117.636 0.300 . 1 . . . . 97 GLN N . 10068 1 1193 . 1 1 97 97 GLN NE2 N 15 113.645 0.300 . 1 . . . . 97 GLN NE2 . 10068 1 1194 . 1 1 98 98 THR H H 1 9.001 0.030 . 1 . . . . 98 THR H . 10068 1 1195 . 1 1 98 98 THR HA H 1 3.885 0.030 . 1 . . . . 98 THR HA . 10068 1 1196 . 1 1 98 98 THR HB H 1 4.240 0.030 . 1 . . . . 98 THR HB . 10068 1 1197 . 1 1 98 98 THR HG21 H 1 1.286 0.030 . 1 . . . . 98 THR HG2 . 10068 1 1198 . 1 1 98 98 THR HG22 H 1 1.286 0.030 . 1 . . . . 98 THR HG2 . 10068 1 1199 . 1 1 98 98 THR HG23 H 1 1.286 0.030 . 1 . . . . 98 THR HG2 . 10068 1 1200 . 1 1 98 98 THR CA C 13 68.691 0.300 . 1 . . . . 98 THR CA . 10068 1 1201 . 1 1 98 98 THR CB C 13 68.118 0.300 . 1 . . . . 98 THR CB . 10068 1 1202 . 1 1 98 98 THR CG2 C 13 22.718 0.300 . 1 . . . . 98 THR CG2 . 10068 1 1203 . 1 1 98 98 THR N N 15 119.869 0.300 . 1 . . . . 98 THR N . 10068 1 1204 . 1 1 99 99 VAL H H 1 8.392 0.030 . 1 . . . . 99 VAL H . 10068 1 1205 . 1 1 99 99 VAL HA H 1 4.007 0.030 . 1 . . . . 99 VAL HA . 10068 1 1206 . 1 1 99 99 VAL HB H 1 2.325 0.030 . 1 . . . . 99 VAL HB . 10068 1 1207 . 1 1 99 99 VAL HG11 H 1 1.060 0.030 . 1 . . . . 99 VAL HG1 . 10068 1 1208 . 1 1 99 99 VAL HG12 H 1 1.060 0.030 . 1 . . . . 99 VAL HG1 . 10068 1 1209 . 1 1 99 99 VAL HG13 H 1 1.060 0.030 . 1 . . . . 99 VAL HG1 . 10068 1 1210 . 1 1 99 99 VAL HG21 H 1 1.037 0.030 . 1 . . . . 99 VAL HG2 . 10068 1 1211 . 1 1 99 99 VAL HG22 H 1 1.037 0.030 . 1 . . . . 99 VAL HG2 . 10068 1 1212 . 1 1 99 99 VAL HG23 H 1 1.037 0.030 . 1 . . . . 99 VAL HG2 . 10068 1 1213 . 1 1 99 99 VAL C C 13 176.422 0.300 . 1 . . . . 99 VAL C . 10068 1 1214 . 1 1 99 99 VAL CA C 13 65.922 0.300 . 1 . . . . 99 VAL CA . 10068 1 1215 . 1 1 99 99 VAL CB C 13 32.005 0.300 . 1 . . . . 99 VAL CB . 10068 1 1216 . 1 1 99 99 VAL CG1 C 13 21.237 0.300 . 2 . . . . 99 VAL CG1 . 10068 1 1217 . 1 1 99 99 VAL CG2 C 13 20.066 0.300 . 2 . . . . 99 VAL CG2 . 10068 1 1218 . 1 1 99 99 VAL N N 15 114.927 0.300 . 1 . . . . 99 VAL N . 10068 1 1219 . 1 1 100 100 ASP H H 1 8.220 0.030 . 1 . . . . 100 ASP H . 10068 1 1220 . 1 1 100 100 ASP HA H 1 4.287 0.030 . 1 . . . . 100 ASP HA . 10068 1 1221 . 1 1 100 100 ASP HB2 H 1 3.172 0.030 . 2 . . . . 100 ASP HB2 . 10068 1 1222 . 1 1 100 100 ASP HB3 H 1 3.044 0.030 . 2 . . . . 100 ASP HB3 . 10068 1 1223 . 1 1 100 100 ASP C C 13 176.840 0.300 . 1 . . . . 100 ASP C . 10068 1 1224 . 1 1 100 100 ASP CA C 13 57.880 0.300 . 1 . . . . 100 ASP CA . 10068 1 1225 . 1 1 100 100 ASP CB C 13 40.930 0.300 . 1 . . . . 100 ASP CB . 10068 1 1226 . 1 1 100 100 ASP N N 15 123.768 0.300 . 1 . . . . 100 ASP N . 10068 1 1227 . 1 1 101 101 LEU H H 1 6.747 0.030 . 1 . . . . 101 LEU H . 10068 1 1228 . 1 1 101 101 LEU HA H 1 4.526 0.030 . 1 . . . . 101 LEU HA . 10068 1 1229 . 1 1 101 101 LEU HB2 H 1 1.302 0.030 . 2 . . . . 101 LEU HB2 . 10068 1 1230 . 1 1 101 101 LEU HB3 H 1 1.828 0.030 . 2 . . . . 101 LEU HB3 . 10068 1 1231 . 1 1 101 101 LEU HG H 1 1.406 0.030 . 1 . . . . 101 LEU HG . 10068 1 1232 . 1 1 101 101 LEU HD11 H 1 0.822 0.030 . 1 . . . . 101 LEU HD1 . 10068 1 1233 . 1 1 101 101 LEU HD12 H 1 0.822 0.030 . 1 . . . . 101 LEU HD1 . 10068 1 1234 . 1 1 101 101 LEU HD13 H 1 0.822 0.030 . 1 . . . . 101 LEU HD1 . 10068 1 1235 . 1 1 101 101 LEU HD21 H 1 0.976 0.030 . 1 . . . . 101 LEU HD2 . 10068 1 1236 . 1 1 101 101 LEU HD22 H 1 0.976 0.030 . 1 . . . . 101 LEU HD2 . 10068 1 1237 . 1 1 101 101 LEU HD23 H 1 0.976 0.030 . 1 . . . . 101 LEU HD2 . 10068 1 1238 . 1 1 101 101 LEU C C 13 178.338 0.300 . 1 . . . . 101 LEU C . 10068 1 1239 . 1 1 101 101 LEU CA C 13 55.286 0.300 . 1 . . . . 101 LEU CA . 10068 1 1240 . 1 1 101 101 LEU CB C 13 44.674 0.300 . 1 . . . . 101 LEU CB . 10068 1 1241 . 1 1 101 101 LEU CG C 13 28.098 0.300 . 1 . . . . 101 LEU CG . 10068 1 1242 . 1 1 101 101 LEU CD1 C 13 23.130 0.300 . 2 . . . . 101 LEU CD1 . 10068 1 1243 . 1 1 101 101 LEU CD2 C 13 26.882 0.300 . 2 . . . . 101 LEU CD2 . 10068 1 1244 . 1 1 101 101 LEU N N 15 112.697 0.300 . 1 . . . . 101 LEU N . 10068 1 1245 . 1 1 102 102 TYR H H 1 9.114 0.030 . 1 . . . . 102 TYR H . 10068 1 1246 . 1 1 102 102 TYR HA H 1 3.874 0.030 . 1 . . . . 102 TYR HA . 10068 1 1247 . 1 1 102 102 TYR HB2 H 1 3.031 0.030 . 2 . . . . 102 TYR HB2 . 10068 1 1248 . 1 1 102 102 TYR HB3 H 1 2.856 0.030 . 2 . . . . 102 TYR HB3 . 10068 1 1249 . 1 1 102 102 TYR HD1 H 1 7.231 0.030 . 1 . . . . 102 TYR HD1 . 10068 1 1250 . 1 1 102 102 TYR HD2 H 1 7.231 0.030 . 1 . . . . 102 TYR HD2 . 10068 1 1251 . 1 1 102 102 TYR HE1 H 1 6.839 0.030 . 1 . . . . 102 TYR HE1 . 10068 1 1252 . 1 1 102 102 TYR HE2 H 1 6.839 0.030 . 1 . . . . 102 TYR HE2 . 10068 1 1253 . 1 1 102 102 TYR C C 13 175.874 0.300 . 1 . . . . 102 TYR C . 10068 1 1254 . 1 1 102 102 TYR CA C 13 63.615 0.300 . 1 . . . . 102 TYR CA . 10068 1 1255 . 1 1 102 102 TYR CB C 13 40.687 0.300 . 1 . . . . 102 TYR CB . 10068 1 1256 . 1 1 102 102 TYR CD1 C 13 133.434 0.300 . 1 . . . . 102 TYR CD1 . 10068 1 1257 . 1 1 102 102 TYR CD2 C 13 133.434 0.300 . 1 . . . . 102 TYR CD2 . 10068 1 1258 . 1 1 102 102 TYR CE1 C 13 118.486 0.300 . 1 . . . . 102 TYR CE1 . 10068 1 1259 . 1 1 102 102 TYR CE2 C 13 118.486 0.300 . 1 . . . . 102 TYR CE2 . 10068 1 1260 . 1 1 102 102 TYR N N 15 119.747 0.300 . 1 . . . . 102 TYR N . 10068 1 1261 . 1 1 103 103 GLU H H 1 7.937 0.030 . 1 . . . . 103 GLU H . 10068 1 1262 . 1 1 103 103 GLU HA H 1 4.507 0.030 . 1 . . . . 103 GLU HA . 10068 1 1263 . 1 1 103 103 GLU HB2 H 1 2.380 0.030 . 2 . . . . 103 GLU HB2 . 10068 1 1264 . 1 1 103 103 GLU HB3 H 1 1.980 0.030 . 2 . . . . 103 GLU HB3 . 10068 1 1265 . 1 1 103 103 GLU HG2 H 1 2.388 0.030 . 2 . . . . 103 GLU HG2 . 10068 1 1266 . 1 1 103 103 GLU HG3 H 1 2.360 0.030 . 2 . . . . 103 GLU HG3 . 10068 1 1267 . 1 1 103 103 GLU C C 13 177.396 0.300 . 1 . . . . 103 GLU C . 10068 1 1268 . 1 1 103 103 GLU CA C 13 55.025 0.300 . 1 . . . . 103 GLU CA . 10068 1 1269 . 1 1 103 103 GLU CB C 13 30.130 0.300 . 1 . . . . 103 GLU CB . 10068 1 1270 . 1 1 103 103 GLU CG C 13 36.825 0.300 . 1 . . . . 103 GLU CG . 10068 1 1271 . 1 1 103 103 GLU N N 15 111.069 0.300 . 1 . . . . 103 GLU N . 10068 1 1272 . 1 1 104 104 GLY H H 1 7.255 0.030 . 1 . . . . 104 GLY H . 10068 1 1273 . 1 1 104 104 GLY HA2 H 1 3.827 0.030 . 2 . . . . 104 GLY HA2 . 10068 1 1274 . 1 1 104 104 GLY HA3 H 1 3.677 0.030 . 2 . . . . 104 GLY HA3 . 10068 1 1275 . 1 1 104 104 GLY C C 13 174.666 0.300 . 1 . . . . 104 GLY C . 10068 1 1276 . 1 1 104 104 GLY CA C 13 46.501 0.300 . 1 . . . . 104 GLY CA . 10068 1 1277 . 1 1 104 104 GLY N N 15 107.831 0.300 . 1 . . . . 104 GLY N . 10068 1 1278 . 1 1 105 105 LYS H H 1 7.232 0.030 . 1 . . . . 105 LYS H . 10068 1 1279 . 1 1 105 105 LYS HA H 1 4.132 0.030 . 1 . . . . 105 LYS HA . 10068 1 1280 . 1 1 105 105 LYS HB2 H 1 1.797 0.030 . 2 . . . . 105 LYS HB2 . 10068 1 1281 . 1 1 105 105 LYS HB3 H 1 1.976 0.030 . 2 . . . . 105 LYS HB3 . 10068 1 1282 . 1 1 105 105 LYS HG2 H 1 1.427 0.030 . 2 . . . . 105 LYS HG2 . 10068 1 1283 . 1 1 105 105 LYS HG3 H 1 1.496 0.030 . 2 . . . . 105 LYS HG3 . 10068 1 1284 . 1 1 105 105 LYS HD2 H 1 1.698 0.030 . 1 . . . . 105 LYS HD2 . 10068 1 1285 . 1 1 105 105 LYS HD3 H 1 1.698 0.030 . 1 . . . . 105 LYS HD3 . 10068 1 1286 . 1 1 105 105 LYS HE2 H 1 3.039 0.030 . 1 . . . . 105 LYS HE2 . 10068 1 1287 . 1 1 105 105 LYS HE3 H 1 3.039 0.030 . 1 . . . . 105 LYS HE3 . 10068 1 1288 . 1 1 105 105 LYS C C 13 176.886 0.300 . 1 . . . . 105 LYS C . 10068 1 1289 . 1 1 105 105 LYS CA C 13 58.166 0.300 . 1 . . . . 105 LYS CA . 10068 1 1290 . 1 1 105 105 LYS CB C 13 33.379 0.300 . 1 . . . . 105 LYS CB . 10068 1 1291 . 1 1 105 105 LYS CG C 13 25.517 0.300 . 1 . . . . 105 LYS CG . 10068 1 1292 . 1 1 105 105 LYS CD C 13 29.120 0.300 . 1 . . . . 105 LYS CD . 10068 1 1293 . 1 1 105 105 LYS CE C 13 42.172 0.300 . 1 . . . . 105 LYS CE . 10068 1 1294 . 1 1 105 105 LYS N N 15 117.758 0.300 . 1 . . . . 105 LYS N . 10068 1 1295 . 1 1 106 106 ASP H H 1 8.517 0.030 . 1 . . . . 106 ASP H . 10068 1 1296 . 1 1 106 106 ASP HA H 1 4.756 0.030 . 1 . . . . 106 ASP HA . 10068 1 1297 . 1 1 106 106 ASP HB2 H 1 2.831 0.030 . 2 . . . . 106 ASP HB2 . 10068 1 1298 . 1 1 106 106 ASP HB3 H 1 2.563 0.030 . 2 . . . . 106 ASP HB3 . 10068 1 1299 . 1 1 106 106 ASP C C 13 175.077 0.300 . 1 . . . . 106 ASP C . 10068 1 1300 . 1 1 106 106 ASP CA C 13 53.578 0.300 . 1 . . . . 106 ASP CA . 10068 1 1301 . 1 1 106 106 ASP CB C 13 40.283 0.300 . 1 . . . . 106 ASP CB . 10068 1 1302 . 1 1 106 106 ASP N N 15 117.298 0.300 . 1 . . . . 106 ASP N . 10068 1 1303 . 1 1 107 107 MET H H 1 8.893 0.030 . 1 . . . . 107 MET H . 10068 1 1304 . 1 1 107 107 MET HA H 1 4.681 0.030 . 1 . . . . 107 MET HA . 10068 1 1305 . 1 1 107 107 MET HB2 H 1 2.096 0.030 . 2 . . . . 107 MET HB2 . 10068 1 1306 . 1 1 107 107 MET HB3 H 1 2.143 0.030 . 2 . . . . 107 MET HB3 . 10068 1 1307 . 1 1 107 107 MET HG2 H 1 3.027 0.030 . 2 . . . . 107 MET HG2 . 10068 1 1308 . 1 1 107 107 MET HG3 H 1 2.400 0.030 . 2 . . . . 107 MET HG3 . 10068 1 1309 . 1 1 107 107 MET HE1 H 1 2.029 0.030 . 1 . . . . 107 MET HE . 10068 1 1310 . 1 1 107 107 MET HE2 H 1 2.029 0.030 . 1 . . . . 107 MET HE . 10068 1 1311 . 1 1 107 107 MET HE3 H 1 2.029 0.030 . 1 . . . . 107 MET HE . 10068 1 1312 . 1 1 107 107 MET C C 13 179.594 0.300 . 1 . . . . 107 MET C . 10068 1 1313 . 1 1 107 107 MET CA C 13 54.699 0.300 . 1 . . . . 107 MET CA . 10068 1 1314 . 1 1 107 107 MET CB C 13 29.126 0.300 . 1 . . . . 107 MET CB . 10068 1 1315 . 1 1 107 107 MET CG C 13 32.466 0.300 . 1 . . . . 107 MET CG . 10068 1 1316 . 1 1 107 107 MET CE C 13 15.298 0.300 . 1 . . . . 107 MET CE . 10068 1 1317 . 1 1 107 107 MET N N 15 121.738 0.300 . 1 . . . . 107 MET N . 10068 1 1318 . 1 1 108 108 ALA H H 1 8.368 0.030 . 1 . . . . 108 ALA H . 10068 1 1319 . 1 1 108 108 ALA HA H 1 4.194 0.030 . 1 . . . . 108 ALA HA . 10068 1 1320 . 1 1 108 108 ALA HB1 H 1 1.547 0.030 . 1 . . . . 108 ALA HB . 10068 1 1321 . 1 1 108 108 ALA HB2 H 1 1.547 0.030 . 1 . . . . 108 ALA HB . 10068 1 1322 . 1 1 108 108 ALA HB3 H 1 1.547 0.030 . 1 . . . . 108 ALA HB . 10068 1 1323 . 1 1 108 108 ALA C C 13 180.867 0.300 . 1 . . . . 108 ALA C . 10068 1 1324 . 1 1 108 108 ALA CA C 13 55.364 0.300 . 1 . . . . 108 ALA CA . 10068 1 1325 . 1 1 108 108 ALA CB C 13 17.569 0.300 . 1 . . . . 108 ALA CB . 10068 1 1326 . 1 1 108 108 ALA N N 15 125.373 0.300 . 1 . . . . 108 ALA N . 10068 1 1327 . 1 1 109 109 ALA H H 1 7.807 0.030 . 1 . . . . 109 ALA H . 10068 1 1328 . 1 1 109 109 ALA HA H 1 4.073 0.030 . 1 . . . . 109 ALA HA . 10068 1 1329 . 1 1 109 109 ALA HB1 H 1 1.555 0.030 . 1 . . . . 109 ALA HB . 10068 1 1330 . 1 1 109 109 ALA HB2 H 1 1.555 0.030 . 1 . . . . 109 ALA HB . 10068 1 1331 . 1 1 109 109 ALA HB3 H 1 1.555 0.030 . 1 . . . . 109 ALA HB . 10068 1 1332 . 1 1 109 109 ALA C C 13 180.005 0.300 . 1 . . . . 109 ALA C . 10068 1 1333 . 1 1 109 109 ALA CA C 13 54.892 0.300 . 1 . . . . 109 ALA CA . 10068 1 1334 . 1 1 109 109 ALA CB C 13 18.138 0.300 . 1 . . . . 109 ALA CB . 10068 1 1335 . 1 1 109 109 ALA N N 15 122.909 0.300 . 1 . . . . 109 ALA N . 10068 1 1336 . 1 1 110 110 VAL H H 1 7.002 0.030 . 1 . . . . 110 VAL H . 10068 1 1337 . 1 1 110 110 VAL HA H 1 3.557 0.030 . 1 . . . . 110 VAL HA . 10068 1 1338 . 1 1 110 110 VAL HB H 1 2.236 0.030 . 1 . . . . 110 VAL HB . 10068 1 1339 . 1 1 110 110 VAL HG11 H 1 0.539 0.030 . 1 . . . . 110 VAL HG1 . 10068 1 1340 . 1 1 110 110 VAL HG12 H 1 0.539 0.030 . 1 . . . . 110 VAL HG1 . 10068 1 1341 . 1 1 110 110 VAL HG13 H 1 0.539 0.030 . 1 . . . . 110 VAL HG1 . 10068 1 1342 . 1 1 110 110 VAL HG21 H 1 0.197 0.030 . 1 . . . . 110 VAL HG2 . 10068 1 1343 . 1 1 110 110 VAL HG22 H 1 0.197 0.030 . 1 . . . . 110 VAL HG2 . 10068 1 1344 . 1 1 110 110 VAL HG23 H 1 0.197 0.030 . 1 . . . . 110 VAL HG2 . 10068 1 1345 . 1 1 110 110 VAL C C 13 178.107 0.300 . 1 . . . . 110 VAL C . 10068 1 1346 . 1 1 110 110 VAL CA C 13 65.062 0.300 . 1 . . . . 110 VAL CA . 10068 1 1347 . 1 1 110 110 VAL CB C 13 31.244 0.300 . 1 . . . . 110 VAL CB . 10068 1 1348 . 1 1 110 110 VAL CG1 C 13 19.759 0.300 . 2 . . . . 110 VAL CG1 . 10068 1 1349 . 1 1 110 110 VAL CG2 C 13 21.382 0.300 . 2 . . . . 110 VAL CG2 . 10068 1 1350 . 1 1 110 110 VAL N N 15 118.286 0.300 . 1 . . . . 110 VAL N . 10068 1 1351 . 1 1 111 111 GLN H H 1 8.105 0.030 . 1 . . . . 111 GLN H . 10068 1 1352 . 1 1 111 111 GLN HA H 1 3.857 0.030 . 1 . . . . 111 GLN HA . 10068 1 1353 . 1 1 111 111 GLN HB2 H 1 2.348 0.030 . 2 . . . . 111 GLN HB2 . 10068 1 1354 . 1 1 111 111 GLN HB3 H 1 2.076 0.030 . 2 . . . . 111 GLN HB3 . 10068 1 1355 . 1 1 111 111 GLN HG2 H 1 2.005 0.030 . 2 . . . . 111 GLN HG2 . 10068 1 1356 . 1 1 111 111 GLN HG3 H 1 2.651 0.030 . 2 . . . . 111 GLN HG3 . 10068 1 1357 . 1 1 111 111 GLN HE21 H 1 6.507 0.030 . 2 . . . . 111 GLN HE21 . 10068 1 1358 . 1 1 111 111 GLN HE22 H 1 6.816 0.030 . 2 . . . . 111 GLN HE22 . 10068 1 1359 . 1 1 111 111 GLN C C 13 177.710 0.300 . 1 . . . . 111 GLN C . 10068 1 1360 . 1 1 111 111 GLN CA C 13 60.178 0.300 . 1 . . . . 111 GLN CA . 10068 1 1361 . 1 1 111 111 GLN CB C 13 28.334 0.300 . 1 . . . . 111 GLN CB . 10068 1 1362 . 1 1 111 111 GLN CG C 13 35.000 0.300 . 1 . . . . 111 GLN CG . 10068 1 1363 . 1 1 111 111 GLN N N 15 117.284 0.300 . 1 . . . . 111 GLN N . 10068 1 1364 . 1 1 111 111 GLN NE2 N 15 108.294 0.300 . 1 . . . . 111 GLN NE2 . 10068 1 1365 . 1 1 112 112 ARG H H 1 8.237 0.030 . 1 . . . . 112 ARG H . 10068 1 1366 . 1 1 112 112 ARG HA H 1 4.159 0.030 . 1 . . . . 112 ARG HA . 10068 1 1367 . 1 1 112 112 ARG HB2 H 1 2.193 0.030 . 2 . . . . 112 ARG HB2 . 10068 1 1368 . 1 1 112 112 ARG HB3 H 1 2.111 0.030 . 2 . . . . 112 ARG HB3 . 10068 1 1369 . 1 1 112 112 ARG HG2 H 1 1.608 0.030 . 2 . . . . 112 ARG HG2 . 10068 1 1370 . 1 1 112 112 ARG HG3 H 1 1.916 0.030 . 2 . . . . 112 ARG HG3 . 10068 1 1371 . 1 1 112 112 ARG HD2 H 1 3.389 0.030 . 2 . . . . 112 ARG HD2 . 10068 1 1372 . 1 1 112 112 ARG HD3 H 1 3.432 0.030 . 2 . . . . 112 ARG HD3 . 10068 1 1373 . 1 1 112 112 ARG HE H 1 7.404 0.030 . 1 . . . . 112 ARG HE . 10068 1 1374 . 1 1 112 112 ARG C C 13 179.873 0.300 . 1 . . . . 112 ARG C . 10068 1 1375 . 1 1 112 112 ARG CA C 13 60.339 0.300 . 1 . . . . 112 ARG CA . 10068 1 1376 . 1 1 112 112 ARG CB C 13 29.974 0.300 . 1 . . . . 112 ARG CB . 10068 1 1377 . 1 1 112 112 ARG CG C 13 27.828 0.300 . 1 . . . . 112 ARG CG . 10068 1 1378 . 1 1 112 112 ARG CD C 13 43.738 0.300 . 1 . . . . 112 ARG CD . 10068 1 1379 . 1 1 112 112 ARG N N 15 119.490 0.300 . 1 . . . . 112 ARG N . 10068 1 1380 . 1 1 112 112 ARG NE N 15 84.177 0.300 . 1 . . . . 112 ARG NE . 10068 1 1381 . 1 1 113 113 THR H H 1 8.417 0.030 . 1 . . . . 113 THR H . 10068 1 1382 . 1 1 113 113 THR HA H 1 4.323 0.030 . 1 . . . . 113 THR HA . 10068 1 1383 . 1 1 113 113 THR HB H 1 4.731 0.030 . 1 . . . . 113 THR HB . 10068 1 1384 . 1 1 113 113 THR HG21 H 1 1.513 0.030 . 1 . . . . 113 THR HG2 . 10068 1 1385 . 1 1 113 113 THR HG22 H 1 1.513 0.030 . 1 . . . . 113 THR HG2 . 10068 1 1386 . 1 1 113 113 THR HG23 H 1 1.513 0.030 . 1 . . . . 113 THR HG2 . 10068 1 1387 . 1 1 113 113 THR C C 13 176.333 0.300 . 1 . . . . 113 THR C . 10068 1 1388 . 1 1 113 113 THR CA C 13 66.962 0.300 . 1 . . . . 113 THR CA . 10068 1 1389 . 1 1 113 113 THR CB C 13 68.243 0.300 . 1 . . . . 113 THR CB . 10068 1 1390 . 1 1 113 113 THR CG2 C 13 22.700 0.300 . 1 . . . . 113 THR CG2 . 10068 1 1391 . 1 1 113 113 THR N N 15 118.715 0.300 . 1 . . . . 113 THR N . 10068 1 1392 . 1 1 114 114 LEU H H 1 8.224 0.030 . 1 . . . . 114 LEU H . 10068 1 1393 . 1 1 114 114 LEU HA H 1 4.356 0.030 . 1 . . . . 114 LEU HA . 10068 1 1394 . 1 1 114 114 LEU HB2 H 1 2.355 0.030 . 2 . . . . 114 LEU HB2 . 10068 1 1395 . 1 1 114 114 LEU HB3 H 1 1.748 0.030 . 2 . . . . 114 LEU HB3 . 10068 1 1396 . 1 1 114 114 LEU HG H 1 2.227 0.030 . 1 . . . . 114 LEU HG . 10068 1 1397 . 1 1 114 114 LEU HD11 H 1 1.062 0.030 . 1 . . . . 114 LEU HD1 . 10068 1 1398 . 1 1 114 114 LEU HD12 H 1 1.062 0.030 . 1 . . . . 114 LEU HD1 . 10068 1 1399 . 1 1 114 114 LEU HD13 H 1 1.062 0.030 . 1 . . . . 114 LEU HD1 . 10068 1 1400 . 1 1 114 114 LEU HD21 H 1 0.972 0.030 . 1 . . . . 114 LEU HD2 . 10068 1 1401 . 1 1 114 114 LEU HD22 H 1 0.972 0.030 . 1 . . . . 114 LEU HD2 . 10068 1 1402 . 1 1 114 114 LEU HD23 H 1 0.972 0.030 . 1 . . . . 114 LEU HD2 . 10068 1 1403 . 1 1 114 114 LEU C C 13 178.380 0.300 . 1 . . . . 114 LEU C . 10068 1 1404 . 1 1 114 114 LEU CA C 13 58.727 0.300 . 1 . . . . 114 LEU CA . 10068 1 1405 . 1 1 114 114 LEU CB C 13 42.861 0.300 . 1 . . . . 114 LEU CB . 10068 1 1406 . 1 1 114 114 LEU CG C 13 27.449 0.300 . 1 . . . . 114 LEU CG . 10068 1 1407 . 1 1 114 114 LEU CD1 C 13 26.396 0.300 . 2 . . . . 114 LEU CD1 . 10068 1 1408 . 1 1 114 114 LEU CD2 C 13 23.096 0.300 . 2 . . . . 114 LEU CD2 . 10068 1 1409 . 1 1 114 114 LEU N N 15 120.383 0.300 . 1 . . . . 114 LEU N . 10068 1 1410 . 1 1 115 115 MET H H 1 8.784 0.030 . 1 . . . . 115 MET H . 10068 1 1411 . 1 1 115 115 MET HA H 1 4.406 0.030 . 1 . . . . 115 MET HA . 10068 1 1412 . 1 1 115 115 MET HB2 H 1 2.351 0.030 . 1 . . . . 115 MET HB2 . 10068 1 1413 . 1 1 115 115 MET HB3 H 1 2.351 0.030 . 1 . . . . 115 MET HB3 . 10068 1 1414 . 1 1 115 115 MET HG2 H 1 2.817 0.030 . 2 . . . . 115 MET HG2 . 10068 1 1415 . 1 1 115 115 MET HG3 H 1 2.881 0.030 . 2 . . . . 115 MET HG3 . 10068 1 1416 . 1 1 115 115 MET HE1 H 1 2.194 0.030 . 1 . . . . 115 MET HE . 10068 1 1417 . 1 1 115 115 MET HE2 H 1 2.194 0.030 . 1 . . . . 115 MET HE . 10068 1 1418 . 1 1 115 115 MET HE3 H 1 2.194 0.030 . 1 . . . . 115 MET HE . 10068 1 1419 . 1 1 115 115 MET C C 13 179.027 0.300 . 1 . . . . 115 MET C . 10068 1 1420 . 1 1 115 115 MET CA C 13 57.741 0.300 . 1 . . . . 115 MET CA . 10068 1 1421 . 1 1 115 115 MET CB C 13 31.614 0.300 . 1 . . . . 115 MET CB . 10068 1 1422 . 1 1 115 115 MET CG C 13 32.624 0.300 . 1 . . . . 115 MET CG . 10068 1 1423 . 1 1 115 115 MET CE C 13 16.747 0.300 . 1 . . . . 115 MET CE . 10068 1 1424 . 1 1 115 115 MET N N 15 117.668 0.300 . 1 . . . . 115 MET N . 10068 1 1425 . 1 1 116 116 ALA H H 1 8.277 0.030 . 1 . . . . 116 ALA H . 10068 1 1426 . 1 1 116 116 ALA HA H 1 4.226 0.030 . 1 . . . . 116 ALA HA . 10068 1 1427 . 1 1 116 116 ALA HB1 H 1 1.778 0.030 . 1 . . . . 116 ALA HB . 10068 1 1428 . 1 1 116 116 ALA HB2 H 1 1.778 0.030 . 1 . . . . 116 ALA HB . 10068 1 1429 . 1 1 116 116 ALA HB3 H 1 1.778 0.030 . 1 . . . . 116 ALA HB . 10068 1 1430 . 1 1 116 116 ALA C C 13 180.745 0.300 . 1 . . . . 116 ALA C . 10068 1 1431 . 1 1 116 116 ALA CA C 13 55.151 0.300 . 1 . . . . 116 ALA CA . 10068 1 1432 . 1 1 116 116 ALA CB C 13 18.558 0.300 . 1 . . . . 116 ALA CB . 10068 1 1433 . 1 1 116 116 ALA N N 15 124.124 0.300 . 1 . . . . 116 ALA N . 10068 1 1434 . 1 1 117 117 LEU H H 1 8.673 0.030 . 1 . . . . 117 LEU H . 10068 1 1435 . 1 1 117 117 LEU HA H 1 4.115 0.030 . 1 . . . . 117 LEU HA . 10068 1 1436 . 1 1 117 117 LEU HB2 H 1 1.880 0.030 . 2 . . . . 117 LEU HB2 . 10068 1 1437 . 1 1 117 117 LEU HB3 H 1 2.268 0.030 . 2 . . . . 117 LEU HB3 . 10068 1 1438 . 1 1 117 117 LEU HG H 1 1.876 0.030 . 1 . . . . 117 LEU HG . 10068 1 1439 . 1 1 117 117 LEU HD11 H 1 0.949 0.030 . 1 . . . . 117 LEU HD1 . 10068 1 1440 . 1 1 117 117 LEU HD12 H 1 0.949 0.030 . 1 . . . . 117 LEU HD1 . 10068 1 1441 . 1 1 117 117 LEU HD13 H 1 0.949 0.030 . 1 . . . . 117 LEU HD1 . 10068 1 1442 . 1 1 117 117 LEU HD21 H 1 1.033 0.030 . 1 . . . . 117 LEU HD2 . 10068 1 1443 . 1 1 117 117 LEU HD22 H 1 1.033 0.030 . 1 . . . . 117 LEU HD2 . 10068 1 1444 . 1 1 117 117 LEU HD23 H 1 1.033 0.030 . 1 . . . . 117 LEU HD2 . 10068 1 1445 . 1 1 117 117 LEU CA C 13 58.306 0.300 . 1 . . . . 117 LEU CA . 10068 1 1446 . 1 1 117 117 LEU CB C 13 43.017 0.300 . 1 . . . . 117 LEU CB . 10068 1 1447 . 1 1 117 117 LEU CG C 13 26.792 0.300 . 1 . . . . 117 LEU CG . 10068 1 1448 . 1 1 117 117 LEU CD1 C 13 25.191 0.300 . 2 . . . . 117 LEU CD1 . 10068 1 1449 . 1 1 117 117 LEU CD2 C 13 26.006 0.300 . 2 . . . . 117 LEU CD2 . 10068 1 1450 . 1 1 117 117 LEU N N 15 121.152 0.300 . 1 . . . . 117 LEU N . 10068 1 1451 . 1 1 118 118 GLY H H 1 8.108 0.030 . 1 . . . . 118 GLY H . 10068 1 1452 . 1 1 118 118 GLY HA2 H 1 2.525 0.030 . 2 . . . . 118 GLY HA2 . 10068 1 1453 . 1 1 118 118 GLY HA3 H 1 1.042 0.030 . 2 . . . . 118 GLY HA3 . 10068 1 1454 . 1 1 118 118 GLY C C 13 174.835 0.300 . 1 . . . . 118 GLY C . 10068 1 1455 . 1 1 118 118 GLY CA C 13 46.540 0.300 . 1 . . . . 118 GLY CA . 10068 1 1456 . 1 1 118 118 GLY N N 15 107.212 0.300 . 1 . . . . 118 GLY N . 10068 1 1457 . 1 1 119 119 SER H H 1 7.900 0.030 . 1 . . . . 119 SER H . 10068 1 1458 . 1 1 119 119 SER HA H 1 4.090 0.030 . 1 . . . . 119 SER HA . 10068 1 1459 . 1 1 119 119 SER HB2 H 1 4.076 0.030 . 2 . . . . 119 SER HB2 . 10068 1 1460 . 1 1 119 119 SER HB3 H 1 3.970 0.030 . 2 . . . . 119 SER HB3 . 10068 1 1461 . 1 1 119 119 SER CA C 13 61.720 0.300 . 1 . . . . 119 SER CA . 10068 1 1462 . 1 1 119 119 SER CB C 13 63.315 0.300 . 1 . . . . 119 SER CB . 10068 1 1463 . 1 1 119 119 SER N N 15 114.822 0.300 . 1 . . . . 119 SER N . 10068 1 1464 . 1 1 120 120 LEU H H 1 8.034 0.030 . 1 . . . . 120 LEU H . 10068 1 1465 . 1 1 120 120 LEU HA H 1 4.111 0.030 . 1 . . . . 120 LEU HA . 10068 1 1466 . 1 1 120 120 LEU HB2 H 1 2.048 0.030 . 2 . . . . 120 LEU HB2 . 10068 1 1467 . 1 1 120 120 LEU HB3 H 1 1.577 0.030 . 2 . . . . 120 LEU HB3 . 10068 1 1468 . 1 1 120 120 LEU HG H 1 1.642 0.030 . 1 . . . . 120 LEU HG . 10068 1 1469 . 1 1 120 120 LEU HD11 H 1 0.854 0.030 . 1 . . . . 120 LEU HD1 . 10068 1 1470 . 1 1 120 120 LEU HD12 H 1 0.854 0.030 . 1 . . . . 120 LEU HD1 . 10068 1 1471 . 1 1 120 120 LEU HD13 H 1 0.854 0.030 . 1 . . . . 120 LEU HD1 . 10068 1 1472 . 1 1 120 120 LEU HD21 H 1 0.832 0.030 . 1 . . . . 120 LEU HD2 . 10068 1 1473 . 1 1 120 120 LEU HD22 H 1 0.832 0.030 . 1 . . . . 120 LEU HD2 . 10068 1 1474 . 1 1 120 120 LEU HD23 H 1 0.832 0.030 . 1 . . . . 120 LEU HD2 . 10068 1 1475 . 1 1 120 120 LEU C C 13 178.538 0.300 . 1 . . . . 120 LEU C . 10068 1 1476 . 1 1 120 120 LEU CA C 13 57.804 0.300 . 1 . . . . 120 LEU CA . 10068 1 1477 . 1 1 120 120 LEU CB C 13 43.095 0.300 . 1 . . . . 120 LEU CB . 10068 1 1478 . 1 1 120 120 LEU CG C 13 27.251 0.300 . 1 . . . . 120 LEU CG . 10068 1 1479 . 1 1 120 120 LEU CD1 C 13 25.263 0.300 . 2 . . . . 120 LEU CD1 . 10068 1 1480 . 1 1 120 120 LEU CD2 C 13 24.362 0.300 . 2 . . . . 120 LEU CD2 . 10068 1 1481 . 1 1 120 120 LEU N N 15 123.087 0.300 . 1 . . . . 120 LEU N . 10068 1 1482 . 1 1 121 121 ALA H H 1 8.713 0.030 . 1 . . . . 121 ALA H . 10068 1 1483 . 1 1 121 121 ALA HA H 1 4.828 0.030 . 1 . . . . 121 ALA HA . 10068 1 1484 . 1 1 121 121 ALA HB1 H 1 1.799 0.030 . 1 . . . . 121 ALA HB . 10068 1 1485 . 1 1 121 121 ALA HB2 H 1 1.799 0.030 . 1 . . . . 121 ALA HB . 10068 1 1486 . 1 1 121 121 ALA HB3 H 1 1.799 0.030 . 1 . . . . 121 ALA HB . 10068 1 1487 . 1 1 121 121 ALA C C 13 181.338 0.300 . 1 . . . . 121 ALA C . 10068 1 1488 . 1 1 121 121 ALA CA C 13 55.178 0.300 . 1 . . . . 121 ALA CA . 10068 1 1489 . 1 1 121 121 ALA CB C 13 19.883 0.300 . 1 . . . . 121 ALA CB . 10068 1 1490 . 1 1 121 121 ALA N N 15 123.057 0.300 . 1 . . . . 121 ALA N . 10068 1 1491 . 1 1 122 122 VAL H H 1 7.928 0.030 . 1 . . . . 122 VAL H . 10068 1 1492 . 1 1 122 122 VAL HA H 1 3.230 0.030 . 1 . . . . 122 VAL HA . 10068 1 1493 . 1 1 122 122 VAL HB H 1 1.775 0.030 . 1 . . . . 122 VAL HB . 10068 1 1494 . 1 1 122 122 VAL HG11 H 1 0.779 0.030 . 1 . . . . 122 VAL HG1 . 10068 1 1495 . 1 1 122 122 VAL HG12 H 1 0.779 0.030 . 1 . . . . 122 VAL HG1 . 10068 1 1496 . 1 1 122 122 VAL HG13 H 1 0.779 0.030 . 1 . . . . 122 VAL HG1 . 10068 1 1497 . 1 1 122 122 VAL HG21 H 1 0.608 0.030 . 1 . . . . 122 VAL HG2 . 10068 1 1498 . 1 1 122 122 VAL HG22 H 1 0.608 0.030 . 1 . . . . 122 VAL HG2 . 10068 1 1499 . 1 1 122 122 VAL HG23 H 1 0.608 0.030 . 1 . . . . 122 VAL HG2 . 10068 1 1500 . 1 1 122 122 VAL C C 13 178.132 0.300 . 1 . . . . 122 VAL C . 10068 1 1501 . 1 1 122 122 VAL CA C 13 65.492 0.300 . 1 . . . . 122 VAL CA . 10068 1 1502 . 1 1 122 122 VAL CB C 13 31.536 0.300 . 1 . . . . 122 VAL CB . 10068 1 1503 . 1 1 122 122 VAL CG1 C 13 21.200 0.300 . 2 . . . . 122 VAL CG1 . 10068 1 1504 . 1 1 122 122 VAL CG2 C 13 22.636 0.300 . 2 . . . . 122 VAL CG2 . 10068 1 1505 . 1 1 122 122 VAL N N 15 117.009 0.300 . 1 . . . . 122 VAL N . 10068 1 1506 . 1 1 123 123 THR H H 1 7.675 0.030 . 1 . . . . 123 THR H . 10068 1 1507 . 1 1 123 123 THR HA H 1 3.972 0.030 . 1 . . . . 123 THR HA . 10068 1 1508 . 1 1 123 123 THR HB H 1 4.348 0.030 . 1 . . . . 123 THR HB . 10068 1 1509 . 1 1 123 123 THR HG21 H 1 1.285 0.030 . 1 . . . . 123 THR HG2 . 10068 1 1510 . 1 1 123 123 THR HG22 H 1 1.285 0.030 . 1 . . . . 123 THR HG2 . 10068 1 1511 . 1 1 123 123 THR HG23 H 1 1.285 0.030 . 1 . . . . 123 THR HG2 . 10068 1 1512 . 1 1 123 123 THR C C 13 176.333 0.300 . 1 . . . . 123 THR C . 10068 1 1513 . 1 1 123 123 THR CA C 13 65.492 0.300 . 1 . . . . 123 THR CA . 10068 1 1514 . 1 1 123 123 THR CB C 13 69.130 0.300 . 1 . . . . 123 THR CB . 10068 1 1515 . 1 1 123 123 THR CG2 C 13 22.864 0.300 . 1 . . . . 123 THR CG2 . 10068 1 1516 . 1 1 123 123 THR N N 15 115.799 0.300 . 1 . . . . 123 THR N . 10068 1 1517 . 1 1 124 124 LYS H H 1 8.318 0.030 . 1 . . . . 124 LYS H . 10068 1 1518 . 1 1 124 124 LYS HA H 1 3.927 0.030 . 1 . . . . 124 LYS HA . 10068 1 1519 . 1 1 124 124 LYS HB2 H 1 1.912 0.030 . 2 . . . . 124 LYS HB2 . 10068 1 1520 . 1 1 124 124 LYS HB3 H 1 1.751 0.030 . 2 . . . . 124 LYS HB3 . 10068 1 1521 . 1 1 124 124 LYS HG2 H 1 1.348 0.030 . 2 . . . . 124 LYS HG2 . 10068 1 1522 . 1 1 124 124 LYS HG3 H 1 1.568 0.030 . 2 . . . . 124 LYS HG3 . 10068 1 1523 . 1 1 124 124 LYS HD2 H 1 1.453 0.030 . 2 . . . . 124 LYS HD2 . 10068 1 1524 . 1 1 124 124 LYS HD3 H 1 1.490 0.030 . 2 . . . . 124 LYS HD3 . 10068 1 1525 . 1 1 124 124 LYS HE2 H 1 2.551 0.030 . 2 . . . . 124 LYS HE2 . 10068 1 1526 . 1 1 124 124 LYS HE3 H 1 2.186 0.030 . 2 . . . . 124 LYS HE3 . 10068 1 1527 . 1 1 124 124 LYS C C 13 177.619 0.300 . 1 . . . . 124 LYS C . 10068 1 1528 . 1 1 124 124 LYS CA C 13 59.551 0.300 . 1 . . . . 124 LYS CA . 10068 1 1529 . 1 1 124 124 LYS CB C 13 32.708 0.300 . 1 . . . . 124 LYS CB . 10068 1 1530 . 1 1 124 124 LYS CG C 13 26.178 0.300 . 1 . . . . 124 LYS CG . 10068 1 1531 . 1 1 124 124 LYS CD C 13 29.542 0.300 . 1 . . . . 124 LYS CD . 10068 1 1532 . 1 1 124 124 LYS CE C 13 42.383 0.300 . 1 . . . . 124 LYS CE . 10068 1 1533 . 1 1 124 124 LYS N N 15 121.437 0.300 . 1 . . . . 124 LYS N . 10068 1 1534 . 1 1 125 125 ASN H H 1 7.723 0.030 . 1 . . . . 125 ASN H . 10068 1 1535 . 1 1 125 125 ASN HA H 1 4.575 0.030 . 1 . . . . 125 ASN HA . 10068 1 1536 . 1 1 125 125 ASN HB2 H 1 3.138 0.030 . 2 . . . . 125 ASN HB2 . 10068 1 1537 . 1 1 125 125 ASN HB3 H 1 2.600 0.030 . 2 . . . . 125 ASN HB3 . 10068 1 1538 . 1 1 125 125 ASN HD21 H 1 7.661 0.030 . 2 . . . . 125 ASN HD21 . 10068 1 1539 . 1 1 125 125 ASN HD22 H 1 6.858 0.030 . 2 . . . . 125 ASN HD22 . 10068 1 1540 . 1 1 125 125 ASN CA C 13 53.763 0.300 . 1 . . . . 125 ASN CA . 10068 1 1541 . 1 1 125 125 ASN CB C 13 37.446 0.300 . 1 . . . . 125 ASN CB . 10068 1 1542 . 1 1 125 125 ASN N N 15 113.879 0.300 . 1 . . . . 125 ASN N . 10068 1 1543 . 1 1 125 125 ASN ND2 N 15 111.663 0.300 . 1 . . . . 125 ASN ND2 . 10068 1 1544 . 1 1 126 126 ASP H H 1 8.391 0.030 . 1 . . . . 126 ASP H . 10068 1 1545 . 1 1 126 126 ASP HA H 1 4.689 0.030 . 1 . . . . 126 ASP HA . 10068 1 1546 . 1 1 126 126 ASP HB2 H 1 2.438 0.030 . 2 . . . . 126 ASP HB2 . 10068 1 1547 . 1 1 126 126 ASP HB3 H 1 3.154 0.030 . 2 . . . . 126 ASP HB3 . 10068 1 1548 . 1 1 126 126 ASP C C 13 177.299 0.300 . 1 . . . . 126 ASP C . 10068 1 1549 . 1 1 126 126 ASP CA C 13 53.539 0.300 . 1 . . . . 126 ASP CA . 10068 1 1550 . 1 1 126 126 ASP CB C 13 41.489 0.300 . 1 . . . . 126 ASP CB . 10068 1 1551 . 1 1 126 126 ASP N N 15 116.905 0.300 . 1 . . . . 126 ASP N . 10068 1 1552 . 1 1 127 127 GLY H H 1 8.766 0.030 . 1 . . . . 127 GLY H . 10068 1 1553 . 1 1 127 127 GLY HA2 H 1 4.465 0.030 . 2 . . . . 127 GLY HA2 . 10068 1 1554 . 1 1 127 127 GLY HA3 H 1 3.827 0.030 . 2 . . . . 127 GLY HA3 . 10068 1 1555 . 1 1 127 127 GLY C C 13 175.560 0.300 . 1 . . . . 127 GLY C . 10068 1 1556 . 1 1 127 127 GLY CA C 13 45.195 0.300 . 1 . . . . 127 GLY CA . 10068 1 1557 . 1 1 127 127 GLY N N 15 109.188 0.300 . 1 . . . . 127 GLY N . 10068 1 1558 . 1 1 128 128 ASN H H 1 8.202 0.030 . 1 . . . . 128 ASN H . 10068 1 1559 . 1 1 128 128 ASN HA H 1 4.910 0.030 . 1 . . . . 128 ASN HA . 10068 1 1560 . 1 1 128 128 ASN HB2 H 1 2.874 0.030 . 2 . . . . 128 ASN HB2 . 10068 1 1561 . 1 1 128 128 ASN HB3 H 1 3.403 0.030 . 2 . . . . 128 ASN HB3 . 10068 1 1562 . 1 1 128 128 ASN HD21 H 1 6.957 0.030 . 2 . . . . 128 ASN HD21 . 10068 1 1563 . 1 1 128 128 ASN HD22 H 1 6.368 0.030 . 2 . . . . 128 ASN HD22 . 10068 1 1564 . 1 1 128 128 ASN C C 13 174.860 0.300 . 1 . . . . 128 ASN C . 10068 1 1565 . 1 1 128 128 ASN CA C 13 54.506 0.300 . 1 . . . . 128 ASN CA . 10068 1 1566 . 1 1 128 128 ASN CB C 13 39.190 0.300 . 1 . . . . 128 ASN CB . 10068 1 1567 . 1 1 128 128 ASN N N 15 116.318 0.300 . 1 . . . . 128 ASN N . 10068 1 1568 . 1 1 128 128 ASN ND2 N 15 113.878 0.300 . 1 . . . . 128 ASN ND2 . 10068 1 1569 . 1 1 129 129 TYR H H 1 8.060 0.030 . 1 . . . . 129 TYR H . 10068 1 1570 . 1 1 129 129 TYR HA H 1 4.814 0.030 . 1 . . . . 129 TYR HA . 10068 1 1571 . 1 1 129 129 TYR HB2 H 1 3.047 0.030 . 2 . . . . 129 TYR HB2 . 10068 1 1572 . 1 1 129 129 TYR HB3 H 1 3.125 0.030 . 2 . . . . 129 TYR HB3 . 10068 1 1573 . 1 1 129 129 TYR HD1 H 1 7.090 0.030 . 1 . . . . 129 TYR HD1 . 10068 1 1574 . 1 1 129 129 TYR HD2 H 1 7.090 0.030 . 1 . . . . 129 TYR HD2 . 10068 1 1575 . 1 1 129 129 TYR HE1 H 1 6.187 0.030 . 1 . . . . 129 TYR HE1 . 10068 1 1576 . 1 1 129 129 TYR HE2 H 1 6.187 0.030 . 1 . . . . 129 TYR HE2 . 10068 1 1577 . 1 1 129 129 TYR C C 13 175.836 0.300 . 1 . . . . 129 TYR C . 10068 1 1578 . 1 1 129 129 TYR CA C 13 59.211 0.300 . 1 . . . . 129 TYR CA . 10068 1 1579 . 1 1 129 129 TYR CB C 13 38.605 0.300 . 1 . . . . 129 TYR CB . 10068 1 1580 . 1 1 129 129 TYR CD1 C 13 132.688 0.300 . 1 . . . . 129 TYR CD1 . 10068 1 1581 . 1 1 129 129 TYR CD2 C 13 132.688 0.300 . 1 . . . . 129 TYR CD2 . 10068 1 1582 . 1 1 129 129 TYR CE1 C 13 118.810 0.300 . 1 . . . . 129 TYR CE1 . 10068 1 1583 . 1 1 129 129 TYR CE2 C 13 118.810 0.300 . 1 . . . . 129 TYR CE2 . 10068 1 1584 . 1 1 129 129 TYR N N 15 120.793 0.300 . 1 . . . . 129 TYR N . 10068 1 1585 . 1 1 130 130 ARG H H 1 9.119 0.030 . 1 . . . . 130 ARG H . 10068 1 1586 . 1 1 130 130 ARG HA H 1 4.450 0.030 . 1 . . . . 130 ARG HA . 10068 1 1587 . 1 1 130 130 ARG HB2 H 1 1.200 0.030 . 2 . . . . 130 ARG HB2 . 10068 1 1588 . 1 1 130 130 ARG HB3 H 1 1.882 0.030 . 2 . . . . 130 ARG HB3 . 10068 1 1589 . 1 1 130 130 ARG HG2 H 1 1.591 0.030 . 2 . . . . 130 ARG HG2 . 10068 1 1590 . 1 1 130 130 ARG HG3 H 1 1.699 0.030 . 2 . . . . 130 ARG HG3 . 10068 1 1591 . 1 1 130 130 ARG HD2 H 1 3.263 0.030 . 1 . . . . 130 ARG HD2 . 10068 1 1592 . 1 1 130 130 ARG HD3 H 1 3.263 0.030 . 1 . . . . 130 ARG HD3 . 10068 1 1593 . 1 1 130 130 ARG HE H 1 7.152 0.030 . 1 . . . . 130 ARG HE . 10068 1 1594 . 1 1 130 130 ARG C C 13 174.232 0.300 . 1 . . . . 130 ARG C . 10068 1 1595 . 1 1 130 130 ARG CA C 13 54.873 0.300 . 1 . . . . 130 ARG CA . 10068 1 1596 . 1 1 130 130 ARG CB C 13 32.335 0.300 . 1 . . . . 130 ARG CB . 10068 1 1597 . 1 1 130 130 ARG CG C 13 27.404 0.300 . 1 . . . . 130 ARG CG . 10068 1 1598 . 1 1 130 130 ARG CD C 13 43.284 0.300 . 1 . . . . 130 ARG CD . 10068 1 1599 . 1 1 130 130 ARG N N 15 129.067 0.300 . 1 . . . . 130 ARG N . 10068 1 1600 . 1 1 130 130 ARG NE N 15 84.348 0.300 . 1 . . . . 130 ARG NE . 10068 1 1601 . 1 1 131 131 GLY H H 1 5.852 0.030 . 1 . . . . 131 GLY H . 10068 1 1602 . 1 1 131 131 GLY HA2 H 1 3.704 0.030 . 2 . . . . 131 GLY HA2 . 10068 1 1603 . 1 1 131 131 GLY HA3 H 1 3.963 0.030 . 2 . . . . 131 GLY HA3 . 10068 1 1604 . 1 1 131 131 GLY C C 13 171.671 0.300 . 1 . . . . 131 GLY C . 10068 1 1605 . 1 1 131 131 GLY CA C 13 44.397 0.300 . 1 . . . . 131 GLY CA . 10068 1 1606 . 1 1 131 131 GLY N N 15 101.225 0.300 . 1 . . . . 131 GLY N . 10068 1 1607 . 1 1 132 132 ASP H H 1 4.062 0.030 . 1 . . . . 132 ASP H . 10068 1 1608 . 1 1 132 132 ASP HA H 1 4.551 0.030 . 1 . . . . 132 ASP HA . 10068 1 1609 . 1 1 132 132 ASP HB2 H 1 0.521 0.030 . 2 . . . . 132 ASP HB2 . 10068 1 1610 . 1 1 132 132 ASP HB3 H 1 1.384 0.030 . 2 . . . . 132 ASP HB3 . 10068 1 1611 . 1 1 132 132 ASP CA C 13 50.662 0.300 . 1 . . . . 132 ASP CA . 10068 1 1612 . 1 1 132 132 ASP CB C 13 40.598 0.300 . 1 . . . . 132 ASP CB . 10068 1 1613 . 1 1 132 132 ASP N N 15 118.594 0.300 . 1 . . . . 132 ASP N . 10068 1 1614 . 1 1 133 133 PRO HA H 1 4.246 0.030 . 1 . . . . 133 PRO HA . 10068 1 1615 . 1 1 133 133 PRO HB2 H 1 1.927 0.030 . 2 . . . . 133 PRO HB2 . 10068 1 1616 . 1 1 133 133 PRO HB3 H 1 2.332 0.030 . 2 . . . . 133 PRO HB3 . 10068 1 1617 . 1 1 133 133 PRO HG2 H 1 2.023 0.030 . 2 . . . . 133 PRO HG2 . 10068 1 1618 . 1 1 133 133 PRO HG3 H 1 2.048 0.030 . 2 . . . . 133 PRO HG3 . 10068 1 1619 . 1 1 133 133 PRO HD2 H 1 3.876 0.030 . 2 . . . . 133 PRO HD2 . 10068 1 1620 . 1 1 133 133 PRO HD3 H 1 3.990 0.030 . 2 . . . . 133 PRO HD3 . 10068 1 1621 . 1 1 133 133 PRO C C 13 176.585 0.300 . 1 . . . . 133 PRO C . 10068 1 1622 . 1 1 133 133 PRO CA C 13 65.340 0.300 . 1 . . . . 133 PRO CA . 10068 1 1623 . 1 1 133 133 PRO CB C 13 32.030 0.300 . 1 . . . . 133 PRO CB . 10068 1 1624 . 1 1 133 133 PRO CG C 13 27.416 0.300 . 1 . . . . 133 PRO CG . 10068 1 1625 . 1 1 133 133 PRO CD C 13 51.397 0.300 . 1 . . . . 133 PRO CD . 10068 1 1626 . 1 1 134 134 ASN H H 1 8.657 0.030 . 1 . . . . 134 ASN H . 10068 1 1627 . 1 1 134 134 ASN HA H 1 4.619 0.030 . 1 . . . . 134 ASN HA . 10068 1 1628 . 1 1 134 134 ASN HB2 H 1 2.654 0.030 . 2 . . . . 134 ASN HB2 . 10068 1 1629 . 1 1 134 134 ASN HB3 H 1 2.768 0.030 . 2 . . . . 134 ASN HB3 . 10068 1 1630 . 1 1 134 134 ASN HD21 H 1 7.934 0.030 . 2 . . . . 134 ASN HD21 . 10068 1 1631 . 1 1 134 134 ASN HD22 H 1 6.920 0.030 . 2 . . . . 134 ASN HD22 . 10068 1 1632 . 1 1 134 134 ASN C C 13 176.666 0.300 . 1 . . . . 134 ASN C . 10068 1 1633 . 1 1 134 134 ASN CA C 13 54.165 0.300 . 1 . . . . 134 ASN CA . 10068 1 1634 . 1 1 134 134 ASN CB C 13 38.518 0.300 . 1 . . . . 134 ASN CB . 10068 1 1635 . 1 1 134 134 ASN N N 15 113.753 0.300 . 1 . . . . 134 ASN N . 10068 1 1636 . 1 1 134 134 ASN ND2 N 15 114.662 0.300 . 1 . . . . 134 ASN ND2 . 10068 1 1637 . 1 1 135 135 TRP H H 1 7.591 0.030 . 1 . . . . 135 TRP H . 10068 1 1638 . 1 1 135 135 TRP HA H 1 4.356 0.030 . 1 . . . . 135 TRP HA . 10068 1 1639 . 1 1 135 135 TRP HB2 H 1 2.892 0.030 . 2 . . . . 135 TRP HB2 . 10068 1 1640 . 1 1 135 135 TRP HB3 H 1 1.901 0.030 . 2 . . . . 135 TRP HB3 . 10068 1 1641 . 1 1 135 135 TRP HD1 H 1 6.971 0.030 . 1 . . . . 135 TRP HD1 . 10068 1 1642 . 1 1 135 135 TRP HE1 H 1 10.298 0.030 . 1 . . . . 135 TRP HE1 . 10068 1 1643 . 1 1 135 135 TRP HE3 H 1 7.772 0.030 . 1 . . . . 135 TRP HE3 . 10068 1 1644 . 1 1 135 135 TRP HZ2 H 1 7.680 0.030 . 1 . . . . 135 TRP HZ2 . 10068 1 1645 . 1 1 135 135 TRP HZ3 H 1 7.417 0.030 . 1 . . . . 135 TRP HZ3 . 10068 1 1646 . 1 1 135 135 TRP HH2 H 1 7.374 0.030 . 1 . . . . 135 TRP HH2 . 10068 1 1647 . 1 1 135 135 TRP C C 13 175.958 0.300 . 1 . . . . 135 TRP C . 10068 1 1648 . 1 1 135 135 TRP CA C 13 56.997 0.300 . 1 . . . . 135 TRP CA . 10068 1 1649 . 1 1 135 135 TRP CB C 13 30.130 0.300 . 1 . . . . 135 TRP CB . 10068 1 1650 . 1 1 135 135 TRP CD1 C 13 123.764 0.300 . 1 . . . . 135 TRP CD1 . 10068 1 1651 . 1 1 135 135 TRP CE3 C 13 120.459 0.300 . 1 . . . . 135 TRP CE3 . 10068 1 1652 . 1 1 135 135 TRP CZ2 C 13 115.916 0.300 . 1 . . . . 135 TRP CZ2 . 10068 1 1653 . 1 1 135 135 TRP CZ3 C 13 120.459 0.300 . 1 . . . . 135 TRP CZ3 . 10068 1 1654 . 1 1 135 135 TRP CH2 C 13 124.486 0.300 . 1 . . . . 135 TRP CH2 . 10068 1 1655 . 1 1 135 135 TRP N N 15 119.267 0.300 . 1 . . . . 135 TRP N . 10068 1 1656 . 1 1 135 135 TRP NE1 N 15 129.712 0.300 . 1 . . . . 135 TRP NE1 . 10068 1 1657 . 1 1 136 136 PHE H H 1 7.142 0.030 . 1 . . . . 136 PHE H . 10068 1 1658 . 1 1 136 136 PHE HA H 1 4.772 0.030 . 1 . . . . 136 PHE HA . 10068 1 1659 . 1 1 136 136 PHE HB2 H 1 2.342 0.030 . 2 . . . . 136 PHE HB2 . 10068 1 1660 . 1 1 136 136 PHE HB3 H 1 3.206 0.030 . 2 . . . . 136 PHE HB3 . 10068 1 1661 . 1 1 136 136 PHE HD1 H 1 7.127 0.030 . 1 . . . . 136 PHE HD1 . 10068 1 1662 . 1 1 136 136 PHE HD2 H 1 7.127 0.030 . 1 . . . . 136 PHE HD2 . 10068 1 1663 . 1 1 136 136 PHE HE1 H 1 6.957 0.030 . 1 . . . . 136 PHE HE1 . 10068 1 1664 . 1 1 136 136 PHE HE2 H 1 6.957 0.030 . 1 . . . . 136 PHE HE2 . 10068 1 1665 . 1 1 136 136 PHE HZ H 1 6.775 0.030 . 1 . . . . 136 PHE HZ . 10068 1 1666 . 1 1 136 136 PHE C C 13 174.688 0.300 . 1 . . . . 136 PHE C . 10068 1 1667 . 1 1 136 136 PHE CA C 13 56.478 0.300 . 1 . . . . 136 PHE CA . 10068 1 1668 . 1 1 136 136 PHE CB C 13 40.361 0.300 . 1 . . . . 136 PHE CB . 10068 1 1669 . 1 1 136 136 PHE CD1 C 13 132.850 0.300 . 1 . . . . 136 PHE CD1 . 10068 1 1670 . 1 1 136 136 PHE CD2 C 13 132.850 0.300 . 1 . . . . 136 PHE CD2 . 10068 1 1671 . 1 1 136 136 PHE CE1 C 13 130.418 0.300 . 1 . . . . 136 PHE CE1 . 10068 1 1672 . 1 1 136 136 PHE CE2 C 13 130.418 0.300 . 1 . . . . 136 PHE CE2 . 10068 1 1673 . 1 1 136 136 PHE CZ C 13 128.915 0.300 . 1 . . . . 136 PHE CZ . 10068 1 1674 . 1 1 136 136 PHE N N 15 111.201 0.300 . 1 . . . . 136 PHE N . 10068 1 1675 . 1 1 137 137 MET H H 1 7.774 0.030 . 1 . . . . 137 MET H . 10068 1 1676 . 1 1 137 137 MET HA H 1 4.455 0.030 . 1 . . . . 137 MET HA . 10068 1 1677 . 1 1 137 137 MET HB2 H 1 1.980 0.030 . 2 . . . . 137 MET HB2 . 10068 1 1678 . 1 1 137 137 MET HB3 H 1 2.051 0.030 . 2 . . . . 137 MET HB3 . 10068 1 1679 . 1 1 137 137 MET HG2 H 1 2.537 0.030 . 2 . . . . 137 MET HG2 . 10068 1 1680 . 1 1 137 137 MET HG3 H 1 2.585 0.030 . 2 . . . . 137 MET HG3 . 10068 1 1681 . 1 1 137 137 MET HE1 H 1 2.064 0.030 . 1 . . . . 137 MET HE . 10068 1 1682 . 1 1 137 137 MET HE2 H 1 2.064 0.030 . 1 . . . . 137 MET HE . 10068 1 1683 . 1 1 137 137 MET HE3 H 1 2.064 0.030 . 1 . . . . 137 MET HE . 10068 1 1684 . 1 1 137 137 MET C C 13 175.933 0.300 . 1 . . . . 137 MET C . 10068 1 1685 . 1 1 137 137 MET CA C 13 55.393 0.300 . 1 . . . . 137 MET CA . 10068 1 1686 . 1 1 137 137 MET CB C 13 33.710 0.300 . 1 . . . . 137 MET CB . 10068 1 1687 . 1 1 137 137 MET CG C 13 31.837 0.300 . 1 . . . . 137 MET CG . 10068 1 1688 . 1 1 137 137 MET CE C 13 16.998 0.300 . 1 . . . . 137 MET CE . 10068 1 1689 . 1 1 137 137 MET N N 15 119.340 0.300 . 1 . . . . 137 MET N . 10068 1 1690 . 1 1 138 138 LYS H H 1 8.483 0.030 . 1 . . . . 138 LYS H . 10068 1 1691 . 1 1 138 138 LYS HA H 1 4.362 0.030 . 1 . . . . 138 LYS HA . 10068 1 1692 . 1 1 138 138 LYS HB2 H 1 1.766 0.030 . 2 . . . . 138 LYS HB2 . 10068 1 1693 . 1 1 138 138 LYS HB3 H 1 1.855 0.030 . 2 . . . . 138 LYS HB3 . 10068 1 1694 . 1 1 138 138 LYS HG2 H 1 1.414 0.030 . 2 . . . . 138 LYS HG2 . 10068 1 1695 . 1 1 138 138 LYS HG3 H 1 1.490 0.030 . 2 . . . . 138 LYS HG3 . 10068 1 1696 . 1 1 138 138 LYS HD2 H 1 1.709 0.030 . 1 . . . . 138 LYS HD2 . 10068 1 1697 . 1 1 138 138 LYS HD3 H 1 1.709 0.030 . 1 . . . . 138 LYS HD3 . 10068 1 1698 . 1 1 138 138 LYS HE2 H 1 2.989 0.030 . 1 . . . . 138 LYS HE2 . 10068 1 1699 . 1 1 138 138 LYS HE3 H 1 2.989 0.030 . 1 . . . . 138 LYS HE3 . 10068 1 1700 . 1 1 138 138 LYS C C 13 176.495 0.300 . 1 . . . . 138 LYS C . 10068 1 1701 . 1 1 138 138 LYS CA C 13 56.307 0.300 . 1 . . . . 138 LYS CA . 10068 1 1702 . 1 1 138 138 LYS CB C 13 33.064 0.300 . 1 . . . . 138 LYS CB . 10068 1 1703 . 1 1 138 138 LYS CG C 13 24.838 0.300 . 1 . . . . 138 LYS CG . 10068 1 1704 . 1 1 138 138 LYS CD C 13 29.230 0.300 . 1 . . . . 138 LYS CD . 10068 1 1705 . 1 1 138 138 LYS CE C 13 42.254 0.300 . 1 . . . . 138 LYS CE . 10068 1 1706 . 1 1 138 138 LYS N N 15 123.670 0.300 . 1 . . . . 138 LYS N . 10068 1 1707 . 1 1 139 139 SER H H 1 8.344 0.030 . 1 . . . . 139 SER H . 10068 1 1708 . 1 1 139 139 SER HA H 1 4.490 0.030 . 1 . . . . 139 SER HA . 10068 1 1709 . 1 1 139 139 SER HB2 H 1 3.857 0.030 . 1 . . . . 139 SER HB2 . 10068 1 1710 . 1 1 139 139 SER HB3 H 1 3.857 0.030 . 1 . . . . 139 SER HB3 . 10068 1 1711 . 1 1 139 139 SER C C 13 174.521 0.300 . 1 . . . . 139 SER C . 10068 1 1712 . 1 1 139 139 SER CA C 13 58.270 0.300 . 1 . . . . 139 SER CA . 10068 1 1713 . 1 1 139 139 SER CB C 13 64.103 0.300 . 1 . . . . 139 SER CB . 10068 1 1714 . 1 1 139 139 SER N N 15 117.767 0.300 . 1 . . . . 139 SER N . 10068 1 1715 . 1 1 140 140 GLY H H 1 8.280 0.030 . 1 . . . . 140 GLY H . 10068 1 1716 . 1 1 140 140 GLY HA2 H 1 4.108 0.030 . 2 . . . . 140 GLY HA2 . 10068 1 1717 . 1 1 140 140 GLY HA3 H 1 4.190 0.030 . 2 . . . . 140 GLY HA3 . 10068 1 1718 . 1 1 140 140 GLY C C 13 171.781 0.300 . 1 . . . . 140 GLY C . 10068 1 1719 . 1 1 140 140 GLY CA C 13 44.682 0.300 . 1 . . . . 140 GLY CA . 10068 1 1720 . 1 1 140 140 GLY N N 15 110.699 0.300 . 1 . . . . 140 GLY N . 10068 1 1721 . 1 1 141 141 PRO HA H 1 4.505 0.030 . 1 . . . . 141 PRO HA . 10068 1 1722 . 1 1 141 141 PRO HB2 H 1 1.996 0.030 . 2 . . . . 141 PRO HB2 . 10068 1 1723 . 1 1 141 141 PRO HB3 H 1 2.309 0.030 . 2 . . . . 141 PRO HB3 . 10068 1 1724 . 1 1 141 141 PRO HG2 H 1 2.038 0.030 . 1 . . . . 141 PRO HG2 . 10068 1 1725 . 1 1 141 141 PRO HG3 H 1 2.038 0.030 . 1 . . . . 141 PRO HG3 . 10068 1 1726 . 1 1 141 141 PRO HD2 H 1 3.645 0.030 . 1 . . . . 141 PRO HD2 . 10068 1 1727 . 1 1 141 141 PRO HD3 H 1 3.645 0.030 . 1 . . . . 141 PRO HD3 . 10068 1 1728 . 1 1 141 141 PRO CA C 13 63.333 0.300 . 1 . . . . 141 PRO CA . 10068 1 1729 . 1 1 141 141 PRO CB C 13 32.243 0.300 . 1 . . . . 141 PRO CB . 10068 1 1730 . 1 1 141 141 PRO CG C 13 27.216 0.300 . 1 . . . . 141 PRO CG . 10068 1 1731 . 1 1 141 141 PRO CD C 13 49.844 0.300 . 1 . . . . 141 PRO CD . 10068 1 1732 . 1 1 142 142 SER H H 1 8.534 0.030 . 1 . . . . 142 SER H . 10068 1 1733 . 1 1 142 142 SER N N 15 116.429 0.300 . 1 . . . . 142 SER N . 10068 1 1734 . 1 1 143 143 SER HA H 1 4.518 0.030 . 1 . . . . 143 SER HA . 10068 1 1735 . 1 1 143 143 SER HB2 H 1 4.019 0.030 . 2 . . . . 143 SER HB2 . 10068 1 1736 . 1 1 143 143 SER C C 13 173.955 0.300 . 1 . . . . 143 SER C . 10068 1 1737 . 1 1 143 143 SER CA C 13 58.494 0.300 . 1 . . . . 143 SER CA . 10068 1 1738 . 1 1 143 143 SER CB C 13 64.058 0.300 . 1 . . . . 143 SER CB . 10068 1 1739 . 1 1 144 144 GLY H H 1 8.055 0.030 . 1 . . . . 144 GLY H . 10068 1 1740 . 1 1 144 144 GLY HA2 H 1 3.793 0.030 . 1 . . . . 144 GLY HA2 . 10068 1 1741 . 1 1 144 144 GLY HA3 H 1 3.793 0.030 . 1 . . . . 144 GLY HA3 . 10068 1 1742 . 1 1 144 144 GLY C C 13 179.052 0.300 . 1 . . . . 144 GLY C . 10068 1 1743 . 1 1 144 144 GLY CA C 13 46.263 0.300 . 1 . . . . 144 GLY CA . 10068 1 1744 . 1 1 144 144 GLY N N 15 116.887 0.300 . 1 . . . . 144 GLY N . 10068 1 stop_ save_