data_4519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4519 _Entry.Title ; HUMAN TRANSLATION INITIATION FACTOR EIF1A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-10-20 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-07-12 _Entry.Original_release_date 2000-07-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 J. Battiste . L. . 4519 2 T. Pestova . V. . 4519 3 C. Hellen . U.T. . 4519 4 G. Wagner . . . 4519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 855 4519 '13C chemical shifts' 515 4519 '15N chemical shifts' 131 4519 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 . . 2000-07-12 1999-10-20 original author . 4519 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4519 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20142663 _Citation.DOI . _Citation.PubMed_ID 10678173 _Citation.Full_citation . _Citation.Title ; The eIF1A solution structure reveals a large RNA-binding surface important for scanning function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol Cell' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 109 _Citation.Page_last 119 _Citation.Year 2000 _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 J. Battiste . L. . 4519 1 2 T. Pestova . V. . 4519 1 3 C. Hellen . U.T. . 4519 1 4 G. Wagner . . . 4519 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID OB-fold 4519 1 beta-barrel 4519 1 'RNA-binding protein' 4519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EIF_1A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EIF_1A _Assembly.Entry_ID 4519 _Assembly.ID 1 _Assembly.Name 'Translation initiation factor 1A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 monomer 4519 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 EIF1A 1 $EIF_1A . . . native . . . . . 4519 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Translation initiation factor 1A' system 4519 1 'EIF 1A' abbreviation 4519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EIF_1A _Entity.Sf_category entity _Entity.Sf_framecode EIF_1A _Entity.Entry_ID 4519 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Translation initiation factor 1A' _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 ; MRGSHHHHHHTDPMPKNKGK GGKNRRRGKNENESEKRELV FKEDGQEYAQVIKMLGNGRL EAMCFDGVKRLCHIRGKLRK KVWINTSDIILVGLRDYQDN KADVILKYNADEARSLKAYG ELPEHAKINETDTFGPGDDD EIQFDDIGDDDEDIDDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The protein has an N-terminal His tag.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1D7Q . "Human Translation Initiation Factor Eif1a" . . . . . 91.08 143 100.00 100.00 7.54e-97 . . . . 4519 1 2 no PDB 3ZJY . "Crystal Structure Of Importin 13 - Rangtp - Eif1a Complex" . . . . . 71.34 112 100.00 100.00 8.74e-74 . . . . 4519 1 3 no PDB 4KZY . "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 4 no PDB 4KZZ . "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 5 no DBJ BAB23869 . "unnamed protein product [Mus musculus]" . . . . . 91.72 144 99.31 99.31 8.70e-97 . . . . 4519 1 6 no DBJ BAB24942 . "unnamed protein product [Mus musculus]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 7 no DBJ BAB26034 . "unnamed protein product [Mus musculus]" . . . . . 91.72 144 98.61 100.00 2.27e-97 . . . . 4519 1 8 no DBJ BAB28110 . "unnamed protein product [Mus musculus]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 9 no DBJ BAB28428 . "unnamed protein product [Mus musculus]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 10 no EMBL CAG32501 . "hypothetical protein RCJMB04_27j6 [Gallus gallus]" . . . . . 91.72 144 99.31 100.00 1.67e-97 . . . . 4519 1 11 no EMBL CAH91368 . "hypothetical protein [Pongo abelii]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 12 no EMBL CAJ18543 . "Eif1a [Mus musculus]" . . . . . 91.72 144 98.61 100.00 2.27e-97 . . . . 4519 1 13 no EMBL CAJ82618 . "eukaryotic translation initiaion factor 1a [Xenopus (Silurana) tropicalis]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 14 no EMBL CDQ69064 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 91.72 144 97.22 99.31 1.83e-95 . . . . 4519 1 15 no GB AAA19812 . "protein synthesis factor [Homo sapiens]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 16 no GB AAC51834 . "eIF-1A, Y isoform [Homo sapiens]" . . . . . 91.72 144 98.61 99.31 2.51e-96 . . . . 4519 1 17 no GB AAC63934 . "eIF-1A [Mus musculus]" . . . . . 91.72 144 98.61 100.00 2.27e-97 . . . . 4519 1 18 no GB AAH00793 . "Eukaryotic translation initiation factor 1A, X-linked [Homo sapiens]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 19 no GB AAH05248 . "Eukaryotic translation initiation factor 1A, Y-linked [Homo sapiens]" . . . . . 91.72 144 99.31 100.00 1.67e-97 . . . . 4519 1 20 no REF NP_001004814 . "eukaryotic translation initiation factor 1A, X-chromosomal [Xenopus (Silurana) tropicalis]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 21 no REF NP_001008773 . "eukaryotic translation initiation factor 1A [Rattus norvegicus]" . . . . . 91.72 144 97.92 99.31 3.09e-96 . . . . 4519 1 22 no REF NP_001008977 . "eukaryotic translation initiation factor 1A, Y-chromosomal [Pan troglodytes]" . . . . . 91.72 144 98.61 100.00 2.76e-97 . . . . 4519 1 23 no REF NP_001020500 . "eukaryotic translation initiation factor 1A, X-chromosomal [Bos taurus]" . . . . . 91.72 144 99.31 100.00 1.29e-97 . . . . 4519 1 24 no REF NP_001020624 . "eukaryotic translation initiation factor 1A, X-chromosomal [Danio rerio]" . . . . . 91.72 144 99.31 100.00 9.07e-98 . . . . 4519 1 25 no SP O14602 . "RecName: Full=Eukaryotic translation initiation factor 1A, Y-chromosomal; Short=eIF-1A Y isoform; AltName: Full=Eukaryotic tran" . . . . . 91.72 144 99.31 100.00 1.67e-97 . . . . 4519 1 26 no SP P47813 . "RecName: Full=Eukaryotic translation initiation factor 1A, X-chromosomal; Short=eIF-1A X isoform; AltName: Full=Eukaryotic tran" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 27 no SP P47814 . "RecName: Full=Eukaryotic translation initiation factor 1A; Short=EIF-1A; AltName: Full=Eukaryotic translation initiation factor" . . . . . 91.72 144 97.92 98.61 8.27e-95 . . . . 4519 1 28 no SP Q5RA42 . "RecName: Full=Eukaryotic translation initiation factor 1A, X-chromosomal; Short=eIF-1A X isoform; AltName: Full=Eukaryotic tran" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 29 no SP Q60872 . "RecName: Full=Eukaryotic translation initiation factor 1A; Short=eIF-1A; AltName: Full=Eukaryotic translation initiation factor" . . . . . 91.72 144 98.61 100.00 2.27e-97 . . . . 4519 1 30 no TPG DAA12633 . "TPA: eukaryotic translation initiation factor 1A, X-linked [Bos taurus]" . . . . . 91.72 144 100.00 100.00 5.08e-98 . . . . 4519 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Translation initiation factor 1A' common 4519 1 EIF1A abbreviation 4519 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4519 1 2 . ARG . 4519 1 3 . GLY . 4519 1 4 . SER . 4519 1 5 . HIS . 4519 1 6 . HIS . 4519 1 7 . HIS . 4519 1 8 . HIS . 4519 1 9 . HIS . 4519 1 10 . HIS . 4519 1 11 . THR . 4519 1 12 . ASP . 4519 1 13 . PRO . 4519 1 14 . MET . 4519 1 15 . PRO . 4519 1 16 . LYS . 4519 1 17 . ASN . 4519 1 18 . LYS . 4519 1 19 . GLY . 4519 1 20 . LYS . 4519 1 21 . GLY . 4519 1 22 . GLY . 4519 1 23 . LYS . 4519 1 24 . ASN . 4519 1 25 . ARG . 4519 1 26 . ARG . 4519 1 27 . ARG . 4519 1 28 . GLY . 4519 1 29 . LYS . 4519 1 30 . ASN . 4519 1 31 . GLU . 4519 1 32 . ASN . 4519 1 33 . GLU . 4519 1 34 . SER . 4519 1 35 . GLU . 4519 1 36 . LYS . 4519 1 37 . ARG . 4519 1 38 . GLU . 4519 1 39 . LEU . 4519 1 40 . VAL . 4519 1 41 . PHE . 4519 1 42 . LYS . 4519 1 43 . GLU . 4519 1 44 . ASP . 4519 1 45 . GLY . 4519 1 46 . GLN . 4519 1 47 . GLU . 4519 1 48 . TYR . 4519 1 49 . ALA . 4519 1 50 . GLN . 4519 1 51 . VAL . 4519 1 52 . ILE . 4519 1 53 . LYS . 4519 1 54 . MET . 4519 1 55 . LEU . 4519 1 56 . GLY . 4519 1 57 . ASN . 4519 1 58 . GLY . 4519 1 59 . ARG . 4519 1 60 . LEU . 4519 1 61 . GLU . 4519 1 62 . ALA . 4519 1 63 . MET . 4519 1 64 . CYS . 4519 1 65 . PHE . 4519 1 66 . ASP . 4519 1 67 . GLY . 4519 1 68 . VAL . 4519 1 69 . LYS . 4519 1 70 . ARG . 4519 1 71 . LEU . 4519 1 72 . CYS . 4519 1 73 . HIS . 4519 1 74 . ILE . 4519 1 75 . ARG . 4519 1 76 . GLY . 4519 1 77 . LYS . 4519 1 78 . LEU . 4519 1 79 . ARG . 4519 1 80 . LYS . 4519 1 81 . LYS . 4519 1 82 . VAL . 4519 1 83 . TRP . 4519 1 84 . ILE . 4519 1 85 . ASN . 4519 1 86 . THR . 4519 1 87 . SER . 4519 1 88 . ASP . 4519 1 89 . ILE . 4519 1 90 . ILE . 4519 1 91 . LEU . 4519 1 92 . VAL . 4519 1 93 . GLY . 4519 1 94 . LEU . 4519 1 95 . ARG . 4519 1 96 . ASP . 4519 1 97 . TYR . 4519 1 98 . GLN . 4519 1 99 . ASP . 4519 1 100 . ASN . 4519 1 101 . LYS . 4519 1 102 . ALA . 4519 1 103 . ASP . 4519 1 104 . VAL . 4519 1 105 . ILE . 4519 1 106 . LEU . 4519 1 107 . LYS . 4519 1 108 . TYR . 4519 1 109 . ASN . 4519 1 110 . ALA . 4519 1 111 . ASP . 4519 1 112 . GLU . 4519 1 113 . ALA . 4519 1 114 . ARG . 4519 1 115 . SER . 4519 1 116 . LEU . 4519 1 117 . LYS . 4519 1 118 . ALA . 4519 1 119 . TYR . 4519 1 120 . GLY . 4519 1 121 . GLU . 4519 1 122 . LEU . 4519 1 123 . PRO . 4519 1 124 . GLU . 4519 1 125 . HIS . 4519 1 126 . ALA . 4519 1 127 . LYS . 4519 1 128 . ILE . 4519 1 129 . ASN . 4519 1 130 . GLU . 4519 1 131 . THR . 4519 1 132 . ASP . 4519 1 133 . THR . 4519 1 134 . PHE . 4519 1 135 . GLY . 4519 1 136 . PRO . 4519 1 137 . GLY . 4519 1 138 . ASP . 4519 1 139 . ASP . 4519 1 140 . ASP . 4519 1 141 . GLU . 4519 1 142 . ILE . 4519 1 143 . GLN . 4519 1 144 . PHE . 4519 1 145 . ASP . 4519 1 146 . ASP . 4519 1 147 . ILE . 4519 1 148 . GLY . 4519 1 149 . ASP . 4519 1 150 . ASP . 4519 1 151 . ASP . 4519 1 152 . GLU . 4519 1 153 . ASP . 4519 1 154 . ILE . 4519 1 155 . ASP . 4519 1 156 . ASP . 4519 1 157 . ILE . 4519 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4519 1 . ARG 2 2 4519 1 . GLY 3 3 4519 1 . SER 4 4 4519 1 . HIS 5 5 4519 1 . HIS 6 6 4519 1 . HIS 7 7 4519 1 . HIS 8 8 4519 1 . HIS 9 9 4519 1 . HIS 10 10 4519 1 . THR 11 11 4519 1 . ASP 12 12 4519 1 . PRO 13 13 4519 1 . MET 14 14 4519 1 . PRO 15 15 4519 1 . LYS 16 16 4519 1 . ASN 17 17 4519 1 . LYS 18 18 4519 1 . GLY 19 19 4519 1 . LYS 20 20 4519 1 . GLY 21 21 4519 1 . GLY 22 22 4519 1 . LYS 23 23 4519 1 . ASN 24 24 4519 1 . ARG 25 25 4519 1 . ARG 26 26 4519 1 . ARG 27 27 4519 1 . GLY 28 28 4519 1 . LYS 29 29 4519 1 . ASN 30 30 4519 1 . GLU 31 31 4519 1 . ASN 32 32 4519 1 . GLU 33 33 4519 1 . SER 34 34 4519 1 . GLU 35 35 4519 1 . LYS 36 36 4519 1 . ARG 37 37 4519 1 . GLU 38 38 4519 1 . LEU 39 39 4519 1 . VAL 40 40 4519 1 . PHE 41 41 4519 1 . LYS 42 42 4519 1 . GLU 43 43 4519 1 . ASP 44 44 4519 1 . GLY 45 45 4519 1 . GLN 46 46 4519 1 . GLU 47 47 4519 1 . TYR 48 48 4519 1 . ALA 49 49 4519 1 . GLN 50 50 4519 1 . VAL 51 51 4519 1 . ILE 52 52 4519 1 . LYS 53 53 4519 1 . MET 54 54 4519 1 . LEU 55 55 4519 1 . GLY 56 56 4519 1 . ASN 57 57 4519 1 . GLY 58 58 4519 1 . ARG 59 59 4519 1 . LEU 60 60 4519 1 . GLU 61 61 4519 1 . ALA 62 62 4519 1 . MET 63 63 4519 1 . CYS 64 64 4519 1 . PHE 65 65 4519 1 . ASP 66 66 4519 1 . GLY 67 67 4519 1 . VAL 68 68 4519 1 . LYS 69 69 4519 1 . ARG 70 70 4519 1 . LEU 71 71 4519 1 . CYS 72 72 4519 1 . HIS 73 73 4519 1 . ILE 74 74 4519 1 . ARG 75 75 4519 1 . GLY 76 76 4519 1 . LYS 77 77 4519 1 . LEU 78 78 4519 1 . ARG 79 79 4519 1 . LYS 80 80 4519 1 . LYS 81 81 4519 1 . VAL 82 82 4519 1 . TRP 83 83 4519 1 . ILE 84 84 4519 1 . ASN 85 85 4519 1 . THR 86 86 4519 1 . SER 87 87 4519 1 . ASP 88 88 4519 1 . ILE 89 89 4519 1 . ILE 90 90 4519 1 . LEU 91 91 4519 1 . VAL 92 92 4519 1 . GLY 93 93 4519 1 . LEU 94 94 4519 1 . ARG 95 95 4519 1 . ASP 96 96 4519 1 . TYR 97 97 4519 1 . GLN 98 98 4519 1 . ASP 99 99 4519 1 . ASN 100 100 4519 1 . LYS 101 101 4519 1 . ALA 102 102 4519 1 . ASP 103 103 4519 1 . VAL 104 104 4519 1 . ILE 105 105 4519 1 . LEU 106 106 4519 1 . LYS 107 107 4519 1 . TYR 108 108 4519 1 . ASN 109 109 4519 1 . ALA 110 110 4519 1 . ASP 111 111 4519 1 . GLU 112 112 4519 1 . ALA 113 113 4519 1 . ARG 114 114 4519 1 . SER 115 115 4519 1 . LEU 116 116 4519 1 . LYS 117 117 4519 1 . ALA 118 118 4519 1 . TYR 119 119 4519 1 . GLY 120 120 4519 1 . GLU 121 121 4519 1 . LEU 122 122 4519 1 . PRO 123 123 4519 1 . GLU 124 124 4519 1 . HIS 125 125 4519 1 . ALA 126 126 4519 1 . LYS 127 127 4519 1 . ILE 128 128 4519 1 . ASN 129 129 4519 1 . GLU 130 130 4519 1 . THR 131 131 4519 1 . ASP 132 132 4519 1 . THR 133 133 4519 1 . PHE 134 134 4519 1 . GLY 135 135 4519 1 . PRO 136 136 4519 1 . GLY 137 137 4519 1 . ASP 138 138 4519 1 . ASP 139 139 4519 1 . ASP 140 140 4519 1 . GLU 141 141 4519 1 . ILE 142 142 4519 1 . GLN 143 143 4519 1 . PHE 144 144 4519 1 . ASP 145 145 4519 1 . ASP 146 146 4519 1 . ILE 147 147 4519 1 . GLY 148 148 4519 1 . ASP 149 149 4519 1 . ASP 150 150 4519 1 . ASP 151 151 4519 1 . GLU 152 152 4519 1 . ASP 153 153 4519 1 . ILE 154 154 4519 1 . ASP 155 155 4519 1 . ASP 156 156 4519 1 . ILE 157 157 4519 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 4519 _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 $EIF_1A . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4519 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 4519 _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 $EIF_1A . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . pQE31 . . . . . . 4519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4519 _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 'Translation initiation factor 1A' '[U-13C; U-15N]' . . 1 $EIF_1A . . 0.8 . . mM . . . . 4519 1 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 4519 1 3 NaCl . . . . . . . 500 . . mM . . . . 4519 1 4 DTT . . . . . . . 1 . . mM . . . . 4519 1 5 EDTA . . . . . . . 0.1 . . mM . . . . 4519 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4519 _Sample.ID 2 _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 'Translation initiation factor 1A' [U-15N] . . 1 $EIF_1A . . 0.5 . . mM . . . . 4519 2 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 4519 2 3 NaCl . . . . . . . 500 . . mM . . . . 4519 2 4 DTT . . . . . . . 1 . . mM . . . . 4519 2 5 EDTA . . . . . . . 0.1 . . mM . . . . 4519 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4519 _Sample.ID 3 _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 'Translation initiation factor 1A' . . . 1 $EIF_1A . . 1.2 . . mM . . . . 4519 3 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 4519 3 3 NaCl . . . . . . . 500 . . mM . . . . 4519 3 4 DTT . . . . . . . 1 . . mM . . . . 4519 3 5 EDTA . . . . . . . 0.1 . . mM . . . . 4519 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4519 _Sample.ID 4 _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 'Translation initiation factor 1A' [U-15N]-Lys . . 1 $EIF_1A . . 0.4 . . mM . . . . 4519 4 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 4519 4 3 NaCl . . . . . . . 500 . . mM . . . . 4519 4 4 DTT . . . . . . . 1 . . mM . . . . 4519 4 5 EDTA . . . . . . . 0.1 . . mM . . . . 4519 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4519 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . n/a 4519 1 temperature 298 . K 4519 1 'ionic strength' 500 . mM 4519 1 pressure 1 . atm 4519 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4519 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details VARIAN loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Collection 4519 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4519 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details BIOSYM loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 4519 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4519 _Software.ID 3 _Software.Name XEASY _Software.Version 1.2 _Software.Details 'C. BARTELS, T. XIA, M. BILLETER, P. GUNTERT, AND K. WUTHRICH' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 4519 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4519 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details 'A.T. BRUNGER' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure solution' 4519 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 4519 _Software.ID 5 _Software.Name TALOS _Software.Version 1.0 _Software.Details 'G. CORNILESCU, F. DELAGLIO, AND A. BAX' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 4519 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4519 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4519 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Unity . 500 . . . 4519 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4519 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4519 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4519 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4519 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4519 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4519 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4519 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4519 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . . . . . . . . . . . . . . . 4519 1 C 13 . . . . . . . . . . . . . . . . . . . . 4519 1 N 15 . . . . . . . . . . . . . . . . . . . . 4519 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4519 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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' . . . 4519 1 2 '3D 15N-separated NOESY' . . . 4519 1 3 '2D NOESY' . . . 4519 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG CA C 13 56.809 0.000 . 1 . . . . . . . . 4519 1 2 . 1 1 2 2 ARG CB C 13 31.086 0.000 . 1 . . . . . . . . 4519 1 3 . 1 1 2 2 ARG C C 13 176.727 0.000 . 1 . . . . . . . . 4519 1 4 . 1 1 3 3 GLY N N 15 110.762 0.034 . 1 . . . . . . . . 4519 1 5 . 1 1 3 3 GLY H H 1 8.613 0.007 . 1 . . . . . . . . 4519 1 6 . 1 1 3 3 GLY CA C 13 45.122 0.189 . 1 . . . . . . . . 4519 1 7 . 1 1 3 3 GLY HA2 H 1 4.010 0.000 . 1 . . . . . . . . 4519 1 8 . 1 1 3 3 GLY HA3 H 1 4.010 0.000 . 1 . . . . . . . . 4519 1 9 . 1 1 3 3 GLY C C 13 174.247 0.000 . 1 . . . . . . . . 4519 1 10 . 1 1 4 4 SER N N 15 115.132 0.052 . 1 . . . . . . . . 4519 1 11 . 1 1 4 4 SER H H 1 8.239 0.013 . 1 . . . . . . . . 4519 1 12 . 1 1 4 4 SER CA C 13 58.440 0.274 . 1 . . . . . . . . 4519 1 13 . 1 1 4 4 SER HA H 1 4.428 0.015 . 1 . . . . . . . . 4519 1 14 . 1 1 4 4 SER HB2 H 1 3.839 0.000 . 1 . . . . . . . . 4519 1 15 . 1 1 4 4 SER HB3 H 1 3.839 0.000 . 1 . . . . . . . . 4519 1 16 . 1 1 4 4 SER C C 13 174.546 0.000 . 1 . . . . . . . . 4519 1 17 . 1 1 10 10 HIS CA C 13 56.768 0.000 . 1 . . . . . . . . 4519 1 18 . 1 1 10 10 HIS CB C 13 30.816 0.189 . 1 . . . . . . . . 4519 1 19 . 1 1 10 10 HIS HB2 H 1 3.133 0.000 . 1 . . . . . . . . 4519 1 20 . 1 1 10 10 HIS HB3 H 1 3.133 0.000 . 1 . . . . . . . . 4519 1 21 . 1 1 10 10 HIS C C 13 175.444 0.000 . 1 . . . . . . . . 4519 1 22 . 1 1 11 11 THR N N 15 115.155 0.027 . 1 . . . . . . . . 4519 1 23 . 1 1 11 11 THR H H 1 8.033 0.004 . 1 . . . . . . . . 4519 1 24 . 1 1 11 11 THR CA C 13 61.479 0.139 . 1 . . . . . . . . 4519 1 25 . 1 1 11 11 THR HA H 1 4.354 0.070 . 1 . . . . . . . . 4519 1 26 . 1 1 11 11 THR CB C 13 69.957 0.136 . 1 . . . . . . . . 4519 1 27 . 1 1 11 11 THR HB H 1 4.180 0.018 . 1 . . . . . . . . 4519 1 28 . 1 1 11 11 THR HG21 H 1 1.171 0.019 . 1 . . . . . . . . 4519 1 29 . 1 1 11 11 THR HG22 H 1 1.171 0.019 . 1 . . . . . . . . 4519 1 30 . 1 1 11 11 THR HG23 H 1 1.171 0.019 . 1 . . . . . . . . 4519 1 31 . 1 1 11 11 THR CG2 C 13 21.554 0.000 . 1 . . . . . . . . 4519 1 32 . 1 1 11 11 THR C C 13 174.044 0.010 . 1 . . . . . . . . 4519 1 33 . 1 1 12 12 ASP N N 15 124.691 0.044 . 1 . . . . . . . . 4519 1 34 . 1 1 12 12 ASP H H 1 8.376 0.015 . 1 . . . . . . . . 4519 1 35 . 1 1 12 12 ASP CA C 13 52.614 0.068 . 1 . . . . . . . . 4519 1 36 . 1 1 12 12 ASP HA H 1 4.872 0.019 . 1 . . . . . . . . 4519 1 37 . 1 1 12 12 ASP CB C 13 41.256 0.000 . 1 . . . . . . . . 4519 1 38 . 1 1 12 12 ASP HB2 H 1 2.765 0.000 . 2 . . . . . . . . 4519 1 39 . 1 1 12 12 ASP HB3 H 1 2.558 0.000 . 2 . . . . . . . . 4519 1 40 . 1 1 12 12 ASP C C 13 174.460 0.000 . 1 . . . . . . . . 4519 1 41 . 1 1 13 13 PRO CD C 13 50.621 0.014 . 1 . . . . . . . . 4519 1 42 . 1 1 13 13 PRO CA C 13 63.139 0.156 . 1 . . . . . . . . 4519 1 43 . 1 1 13 13 PRO HA H 1 4.447 0.009 . 1 . . . . . . . . 4519 1 44 . 1 1 13 13 PRO HG2 H 1 2.032 0.000 . 1 . . . . . . . . 4519 1 45 . 1 1 13 13 PRO HG3 H 1 2.032 0.000 . 1 . . . . . . . . 4519 1 46 . 1 1 13 13 PRO HD2 H 1 3.858 0.004 . 2 . . . . . . . . 4519 1 47 . 1 1 13 13 PRO HD3 H 1 3.781 0.003 . 2 . . . . . . . . 4519 1 48 . 1 1 14 14 MET N N 15 121.594 0.202 . 1 . . . . . . . . 4519 1 49 . 1 1 14 14 MET H H 1 8.420 0.018 . 1 . . . . . . . . 4519 1 50 . 1 1 14 14 MET CA C 13 53.026 0.000 . 1 . . . . . . . . 4519 1 51 . 1 1 14 14 MET HA H 1 4.759 0.004 . 1 . . . . . . . . 4519 1 52 . 1 1 14 14 MET C C 13 174.348 0.000 . 1 . . . . . . . . 4519 1 53 . 1 1 15 15 PRO CD C 13 50.790 0.085 . 1 . . . . . . . . 4519 1 54 . 1 1 15 15 PRO CA C 13 63.264 0.072 . 1 . . . . . . . . 4519 1 55 . 1 1 15 15 PRO HA H 1 4.435 0.017 . 1 . . . . . . . . 4519 1 56 . 1 1 15 15 PRO HB2 H 1 2.319 0.000 . 2 . . . . . . . . 4519 1 57 . 1 1 15 15 PRO HB3 H 1 1.932 0.000 . 2 . . . . . . . . 4519 1 58 . 1 1 15 15 PRO HG2 H 1 2.036 0.018 . 1 . . . . . . . . 4519 1 59 . 1 1 15 15 PRO HG3 H 1 2.036 0.018 . 1 . . . . . . . . 4519 1 60 . 1 1 15 15 PRO HD2 H 1 3.843 0.012 . 2 . . . . . . . . 4519 1 61 . 1 1 15 15 PRO HD3 H 1 3.680 0.008 . 2 . . . . . . . . 4519 1 62 . 1 1 20 20 LYS CA C 13 56.544 0.264 . 1 . . . . . . . . 4519 1 63 . 1 1 20 20 LYS CB C 13 32.930 0.101 . 1 . . . . . . . . 4519 1 64 . 1 1 20 20 LYS CG C 13 24.663 0.000 . 1 . . . . . . . . 4519 1 65 . 1 1 20 20 LYS CD C 13 28.883 0.000 . 1 . . . . . . . . 4519 1 66 . 1 1 20 20 LYS C C 13 177.280 0.000 . 1 . . . . . . . . 4519 1 67 . 1 1 21 21 GLY N N 15 109.579 0.220 . 1 . . . . . . . . 4519 1 68 . 1 1 21 21 GLY H H 1 8.462 0.026 . 1 . . . . . . . . 4519 1 69 . 1 1 21 21 GLY CA C 13 45.675 0.000 . 1 . . . . . . . . 4519 1 70 . 1 1 21 21 GLY HA2 H 1 3.984 0.048 . 1 . . . . . . . . 4519 1 71 . 1 1 21 21 GLY HA3 H 1 3.984 0.048 . 1 . . . . . . . . 4519 1 72 . 1 1 21 21 GLY C C 13 174.856 0.011 . 1 . . . . . . . . 4519 1 73 . 1 1 22 22 GLY CA C 13 45.071 0.000 . 1 . . . . . . . . 4519 1 74 . 1 1 22 22 GLY C C 13 174.567 0.000 . 1 . . . . . . . . 4519 1 75 . 1 1 22 22 GLY N N 15 108.839 0.202 . 1 . . . . . . . . 4519 1 76 . 1 1 22 22 GLY H H 1 8.283 0.018 . 1 . . . . . . . . 4519 1 77 . 1 1 27 27 ARG CA C 13 56.367 0.000 . 1 . . . . . . . . 4519 1 78 . 1 1 27 27 ARG CB C 13 30.902 0.000 . 1 . . . . . . . . 4519 1 79 . 1 1 27 27 ARG CG C 13 26.957 0.000 . 1 . . . . . . . . 4519 1 80 . 1 1 27 27 ARG CD C 13 43.381 0.000 . 1 . . . . . . . . 4519 1 81 . 1 1 28 28 GLY N N 15 109.983 0.000 . 1 . . . . . . . . 4519 1 82 . 1 1 28 28 GLY H H 1 8.495 0.000 . 1 . . . . . . . . 4519 1 83 . 1 1 29 29 LYS CA C 13 56.757 0.000 . 1 . . . . . . . . 4519 1 84 . 1 1 29 29 LYS CB C 13 33.206 0.128 . 1 . . . . . . . . 4519 1 85 . 1 1 29 29 LYS CG C 13 24.513 0.000 . 1 . . . . . . . . 4519 1 86 . 1 1 29 29 LYS CD C 13 29.015 0.000 . 1 . . . . . . . . 4519 1 87 . 1 1 29 29 LYS HE2 H 1 3.037 0.000 . 1 . . . . . . . . 4519 1 88 . 1 1 29 29 LYS HE3 H 1 3.037 0.000 . 1 . . . . . . . . 4519 1 89 . 1 1 30 30 ASN N N 15 119.519 0.228 . 1 . . . . . . . . 4519 1 90 . 1 1 30 30 ASN H H 1 8.608 0.018 . 1 . . . . . . . . 4519 1 91 . 1 1 30 30 ASN CA C 13 53.489 0.000 . 1 . . . . . . . . 4519 1 92 . 1 1 30 30 ASN HA H 1 4.761 0.008 . 1 . . . . . . . . 4519 1 93 . 1 1 30 30 ASN CB C 13 38.874 0.000 . 1 . . . . . . . . 4519 1 94 . 1 1 30 30 ASN C C 13 175.579 0.006 . 1 . . . . . . . . 4519 1 95 . 1 1 31 31 GLU N N 15 121.521 0.219 . 1 . . . . . . . . 4519 1 96 . 1 1 31 31 GLU H H 1 8.473 0.020 . 1 . . . . . . . . 4519 1 97 . 1 1 31 31 GLU CA C 13 57.328 0.000 . 1 . . . . . . . . 4519 1 98 . 1 1 31 31 GLU HA H 1 4.261 0.025 . 1 . . . . . . . . 4519 1 99 . 1 1 31 31 GLU CB C 13 30.427 0.000 . 1 . . . . . . . . 4519 1 100 . 1 1 31 31 GLU HB3 H 1 2.010 0.010 . 2 . . . . . . . . 4519 1 101 . 1 1 31 31 GLU HB2 H 1 2.110 0.010 . 2 . . . . . . . . 4519 1 102 . 1 1 31 31 GLU CG C 13 36.316 0.000 . 1 . . . . . . . . 4519 1 103 . 1 1 31 31 GLU HG2 H 1 2.294 0.000 . 1 . . . . . . . . 4519 1 104 . 1 1 31 31 GLU HG3 H 1 2.294 0.000 . 1 . . . . . . . . 4519 1 105 . 1 1 31 31 GLU C C 13 176.500 0.004 . 1 . . . . . . . . 4519 1 106 . 1 1 32 32 ASN N N 15 118.836 0.225 . 1 . . . . . . . . 4519 1 107 . 1 1 32 32 ASN H H 1 8.481 0.016 . 1 . . . . . . . . 4519 1 108 . 1 1 32 32 ASN CA C 13 53.694 0.000 . 1 . . . . . . . . 4519 1 109 . 1 1 32 32 ASN HA H 1 4.747 0.006 . 1 . . . . . . . . 4519 1 110 . 1 1 32 32 ASN CB C 13 39.011 0.000 . 1 . . . . . . . . 4519 1 111 . 1 1 32 32 ASN HB2 H 1 2.801 0.024 . 1 . . . . . . . . 4519 1 112 . 1 1 32 32 ASN HB3 H 1 2.801 0.024 . 1 . . . . . . . . 4519 1 113 . 1 1 32 32 ASN C C 13 175.607 0.017 . 1 . . . . . . . . 4519 1 114 . 1 1 33 33 GLU N N 15 121.586 0.202 . 1 . . . . . . . . 4519 1 115 . 1 1 33 33 GLU H H 1 8.363 0.006 . 1 . . . . . . . . 4519 1 116 . 1 1 33 33 GLU CA C 13 57.236 0.000 . 1 . . . . . . . . 4519 1 117 . 1 1 33 33 GLU HA H 1 4.314 0.004 . 1 . . . . . . . . 4519 1 118 . 1 1 33 33 GLU CB C 13 30.427 0.000 . 1 . . . . . . . . 4519 1 119 . 1 1 33 33 GLU HB2 H 1 2.150 0.008 . 2 . . . . . . . . 4519 1 120 . 1 1 33 33 GLU HB3 H 1 2.030 0.008 . 2 . . . . . . . . 4519 1 121 . 1 1 33 33 GLU CG C 13 36.408 0.000 . 1 . . . . . . . . 4519 1 122 . 1 1 33 33 GLU HG2 H 1 2.318 0.000 . 1 . . . . . . . . 4519 1 123 . 1 1 33 33 GLU HG3 H 1 2.318 0.000 . 1 . . . . . . . . 4519 1 124 . 1 1 33 33 GLU C C 13 176.829 0.016 . 1 . . . . . . . . 4519 1 125 . 1 1 34 34 SER N N 15 116.505 0.213 . 1 . . . . . . . . 4519 1 126 . 1 1 34 34 SER H H 1 8.324 0.009 . 1 . . . . . . . . 4519 1 127 . 1 1 34 34 SER CA C 13 59.046 0.000 . 1 . . . . . . . . 4519 1 128 . 1 1 34 34 SER HA H 1 4.453 0.016 . 1 . . . . . . . . 4519 1 129 . 1 1 34 34 SER CB C 13 63.764 0.180 . 1 . . . . . . . . 4519 1 130 . 1 1 34 34 SER HB2 H 1 3.914 0.008 . 2 . . . . . . . . 4519 1 131 . 1 1 34 34 SER HB3 H 1 3.823 0.007 . 2 . . . . . . . . 4519 1 132 . 1 1 34 34 SER C C 13 174.735 0.006 . 1 . . . . . . . . 4519 1 133 . 1 1 35 35 GLU N N 15 122.556 0.229 . 1 . . . . . . . . 4519 1 134 . 1 1 35 35 GLU H H 1 8.362 0.018 . 1 . . . . . . . . 4519 1 135 . 1 1 35 35 GLU CA C 13 56.645 0.000 . 1 . . . . . . . . 4519 1 136 . 1 1 35 35 GLU HA H 1 4.335 0.023 . 1 . . . . . . . . 4519 1 137 . 1 1 35 35 GLU CB C 13 30.518 0.000 . 1 . . . . . . . . 4519 1 138 . 1 1 35 35 GLU HB2 H 1 2.003 0.000 . 1 . . . . . . . . 4519 1 139 . 1 1 35 35 GLU HB3 H 1 2.003 0.000 . 1 . . . . . . . . 4519 1 140 . 1 1 35 35 GLU CG C 13 36.266 0.000 . 1 . . . . . . . . 4519 1 141 . 1 1 35 35 GLU HG2 H 1 2.290 0.013 . 1 . . . . . . . . 4519 1 142 . 1 1 35 35 GLU HG3 H 1 2.290 0.013 . 1 . . . . . . . . 4519 1 143 . 1 1 35 35 GLU C C 13 176.421 0.002 . 1 . . . . . . . . 4519 1 144 . 1 1 36 36 LYS N N 15 122.707 0.215 . 1 . . . . . . . . 4519 1 145 . 1 1 36 36 LYS H H 1 8.259 0.015 . 1 . . . . . . . . 4519 1 146 . 1 1 36 36 LYS CA C 13 55.920 0.081 . 1 . . . . . . . . 4519 1 147 . 1 1 36 36 LYS HA H 1 4.390 0.006 . 1 . . . . . . . . 4519 1 148 . 1 1 36 36 LYS CB C 13 32.986 0.000 . 1 . . . . . . . . 4519 1 149 . 1 1 36 36 LYS HB2 H 1 1.809 0.000 . 1 . . . . . . . . 4519 1 150 . 1 1 36 36 LYS HB3 H 1 1.809 0.000 . 1 . . . . . . . . 4519 1 151 . 1 1 36 36 LYS CG C 13 24.533 0.000 . 1 . . . . . . . . 4519 1 152 . 1 1 36 36 LYS HG2 H 1 1.481 0.000 . 1 . . . . . . . . 4519 1 153 . 1 1 36 36 LYS HG3 H 1 1.481 0.000 . 1 . . . . . . . . 4519 1 154 . 1 1 36 36 LYS CD C 13 28.993 0.000 . 1 . . . . . . . . 4519 1 155 . 1 1 36 36 LYS C C 13 176.270 0.035 . 1 . . . . . . . . 4519 1 156 . 1 1 37 37 ARG N N 15 122.311 0.268 . 1 . . . . . . . . 4519 1 157 . 1 1 37 37 ARG H H 1 8.367 0.003 . 1 . . . . . . . . 4519 1 158 . 1 1 37 37 ARG CA C 13 55.122 0.332 . 1 . . . . . . . . 4519 1 159 . 1 1 37 37 ARG HA H 1 4.450 0.028 . 1 . . . . . . . . 4519 1 160 . 1 1 37 37 ARG CB C 13 31.375 0.000 . 1 . . . . . . . . 4519 1 161 . 1 1 37 37 ARG HB2 H 1 1.911 0.000 . 1 . . . . . . . . 4519 1 162 . 1 1 37 37 ARG HB3 H 1 1.911 0.000 . 1 . . . . . . . . 4519 1 163 . 1 1 37 37 ARG CG C 13 25.918 0.000 . 1 . . . . . . . . 4519 1 164 . 1 1 37 37 ARG HG2 H 1 1.679 0.000 . 1 . . . . . . . . 4519 1 165 . 1 1 37 37 ARG HG3 H 1 1.679 0.000 . 1 . . . . . . . . 4519 1 166 . 1 1 37 37 ARG CD C 13 43.886 0.000 . 1 . . . . . . . . 4519 1 167 . 1 1 37 37 ARG HD2 H 1 3.169 0.000 . 1 . . . . . . . . 4519 1 168 . 1 1 37 37 ARG HD3 H 1 3.169 0.000 . 1 . . . . . . . . 4519 1 169 . 1 1 37 37 ARG C C 13 176.109 0.016 . 1 . . . . . . . . 4519 1 170 . 1 1 38 38 GLU N N 15 123.509 0.216 . 1 . . . . . . . . 4519 1 171 . 1 1 38 38 GLU H H 1 8.543 0.010 . 1 . . . . . . . . 4519 1 172 . 1 1 38 38 GLU CA C 13 56.487 0.000 . 1 . . . . . . . . 4519 1 173 . 1 1 38 38 GLU HA H 1 4.252 0.003 . 1 . . . . . . . . 4519 1 174 . 1 1 38 38 GLU CB C 13 30.599 0.000 . 1 . . . . . . . . 4519 1 175 . 1 1 38 38 GLU HB2 H 1 1.949 0.046 . 1 . . . . . . . . 4519 1 176 . 1 1 38 38 GLU HB3 H 1 1.949 0.046 . 1 . . . . . . . . 4519 1 177 . 1 1 38 38 GLU CG C 13 36.235 0.000 . 1 . . . . . . . . 4519 1 178 . 1 1 38 38 GLU HG2 H 1 2.294 0.015 . 1 . . . . . . . . 4519 1 179 . 1 1 38 38 GLU HG3 H 1 2.294 0.015 . 1 . . . . . . . . 4519 1 180 . 1 1 38 38 GLU C C 13 176.152 0.012 . 1 . . . . . . . . 4519 1 181 . 1 1 39 39 LEU N N 15 125.768 0.185 . 1 . . . . . . . . 4519 1 182 . 1 1 39 39 LEU H H 1 8.266 0.010 . 1 . . . . . . . . 4519 1 183 . 1 1 39 39 LEU CA C 13 55.166 0.163 . 1 . . . . . . . . 4519 1 184 . 1 1 39 39 LEU HA H 1 4.375 0.014 . 1 . . . . . . . . 4519 1 185 . 1 1 39 39 LEU CB C 13 42.458 0.176 . 1 . . . . . . . . 4519 1 186 . 1 1 39 39 LEU HB2 H 1 1.640 0.003 . 2 . . . . . . . . 4519 1 187 . 1 1 39 39 LEU HB3 H 1 1.475 0.001 . 2 . . . . . . . . 4519 1 188 . 1 1 39 39 LEU HG H 1 1.183 0.000 . 1 . . . . . . . . 4519 1 189 . 1 1 39 39 LEU CD1 C 13 23.881 0.013 . 1 . . . . . . . . 4519 1 190 . 1 1 39 39 LEU HD11 H 1 0.963 0.006 . 1 . . . . . . . . 4519 1 191 . 1 1 39 39 LEU HD12 H 1 0.963 0.006 . 1 . . . . . . . . 4519 1 192 . 1 1 39 39 LEU HD13 H 1 0.963 0.006 . 1 . . . . . . . . 4519 1 193 . 1 1 39 39 LEU CD2 C 13 26.677 0.000 . 1 . . . . . . . . 4519 1 194 . 1 1 39 39 LEU HD21 H 1 0.866 0.017 . 1 . . . . . . . . 4519 1 195 . 1 1 39 39 LEU HD22 H 1 0.866 0.017 . 1 . . . . . . . . 4519 1 196 . 1 1 39 39 LEU HD23 H 1 0.866 0.017 . 1 . . . . . . . . 4519 1 197 . 1 1 39 39 LEU C C 13 175.762 0.003 . 1 . . . . . . . . 4519 1 198 . 1 1 40 40 VAL N N 15 128.321 0.152 . 1 . . . . . . . . 4519 1 199 . 1 1 40 40 VAL H H 1 8.108 0.007 . 1 . . . . . . . . 4519 1 200 . 1 1 40 40 VAL CA C 13 62.565 0.116 . 1 . . . . . . . . 4519 1 201 . 1 1 40 40 VAL HA H 1 4.000 0.010 . 1 . . . . . . . . 4519 1 202 . 1 1 40 40 VAL CB C 13 33.112 0.040 . 1 . . . . . . . . 4519 1 203 . 1 1 40 40 VAL HB H 1 1.945 0.013 . 1 . . . . . . . . 4519 1 204 . 1 1 40 40 VAL HG11 H 1 0.846 0.004 . 1 . . . . . . . . 4519 1 205 . 1 1 40 40 VAL HG12 H 1 0.846 0.004 . 1 . . . . . . . . 4519 1 206 . 1 1 40 40 VAL HG13 H 1 0.846 0.004 . 1 . . . . . . . . 4519 1 207 . 1 1 40 40 VAL HG21 H 1 0.928 0.005 . 1 . . . . . . . . 4519 1 208 . 1 1 40 40 VAL HG22 H 1 0.928 0.005 . 1 . . . . . . . . 4519 1 209 . 1 1 40 40 VAL HG23 H 1 0.928 0.005 . 1 . . . . . . . . 4519 1 210 . 1 1 40 40 VAL CG1 C 13 21.715 0.029 . 1 . . . . . . . . 4519 1 211 . 1 1 40 40 VAL CG2 C 13 21.512 0.049 . 1 . . . . . . . . 4519 1 212 . 1 1 40 40 VAL C C 13 175.475 0.010 . 1 . . . . . . . . 4519 1 213 . 1 1 41 41 PHE N N 15 127.280 0.176 . 1 . . . . . . . . 4519 1 214 . 1 1 41 41 PHE H H 1 8.450 0.011 . 1 . . . . . . . . 4519 1 215 . 1 1 41 41 PHE CA C 13 54.929 0.122 . 1 . . . . . . . . 4519 1 216 . 1 1 41 41 PHE HA H 1 5.152 0.004 . 1 . . . . . . . . 4519 1 217 . 1 1 41 41 PHE CB C 13 40.537 0.000 . 1 . . . . . . . . 4519 1 218 . 1 1 41 41 PHE HB2 H 1 3.183 0.000 . 2 . . . . . . . . 4519 1 219 . 1 1 41 41 PHE HB3 H 1 2.923 0.000 . 2 . . . . . . . . 4519 1 220 . 1 1 41 41 PHE HD1 H 1 7.189 0.004 . 1 . . . . . . . . 4519 1 221 . 1 1 41 41 PHE HD2 H 1 7.189 0.004 . 1 . . . . . . . . 4519 1 222 . 1 1 41 41 PHE HE1 H 1 7.013 0.004 . 1 . . . . . . . . 4519 1 223 . 1 1 41 41 PHE HE2 H 1 7.013 0.004 . 1 . . . . . . . . 4519 1 224 . 1 1 41 41 PHE HZ H 1 6.482 0.003 . 1 . . . . . . . . 4519 1 225 . 1 1 41 41 PHE C C 13 176.754 0.006 . 1 . . . . . . . . 4519 1 226 . 1 1 42 42 LYS N N 15 118.485 0.168 . 1 . . . . . . . . 4519 1 227 . 1 1 42 42 LYS H H 1 8.394 0.016 . 1 . . . . . . . . 4519 1 228 . 1 1 42 42 LYS CA C 13 56.641 0.222 . 1 . . . . . . . . 4519 1 229 . 1 1 42 42 LYS HA H 1 4.165 0.003 . 1 . . . . . . . . 4519 1 230 . 1 1 42 42 LYS CB C 13 33.437 0.000 . 1 . . . . . . . . 4519 1 231 . 1 1 42 42 LYS HB2 H 1 1.320 0.004 . 2 . . . . . . . . 4519 1 232 . 1 1 42 42 LYS HB3 H 1 0.889 0.003 . 2 . . . . . . . . 4519 1 233 . 1 1 42 42 LYS CG C 13 24.138 0.000 . 1 . . . . . . . . 4519 1 234 . 1 1 42 42 LYS HG2 H 1 1.168 0.000 . 2 . . . . . . . . 4519 1 235 . 1 1 42 42 LYS HG3 H 1 0.997 0.000 . 2 . . . . . . . . 4519 1 236 . 1 1 42 42 LYS CD C 13 30.182 0.064 . 1 . . . . . . . . 4519 1 237 . 1 1 42 42 LYS HD2 H 1 1.467 0.000 . 2 . . . . . . . . 4519 1 238 . 1 1 42 42 LYS HD3 H 1 0.979 0.003 . 2 . . . . . . . . 4519 1 239 . 1 1 42 42 LYS CE C 13 42.126 0.000 . 1 . . . . . . . . 4519 1 240 . 1 1 42 42 LYS HE2 H 1 3.227 0.006 . 2 . . . . . . . . 4519 1 241 . 1 1 42 42 LYS HE3 H 1 3.006 0.012 . 2 . . . . . . . . 4519 1 242 . 1 1 42 42 LYS C C 13 175.221 0.012 . 1 . . . . . . . . 4519 1 243 . 1 1 43 43 GLU N N 15 122.921 0.183 . 1 . . . . . . . . 4519 1 244 . 1 1 43 43 GLU H H 1 8.105 0.017 . 1 . . . . . . . . 4519 1 245 . 1 1 43 43 GLU CA C 13 53.684 0.251 . 1 . . . . . . . . 4519 1 246 . 1 1 43 43 GLU HA H 1 4.653 0.010 . 1 . . . . . . . . 4519 1 247 . 1 1 43 43 GLU CB C 13 32.220 0.089 . 1 . . . . . . . . 4519 1 248 . 1 1 43 43 GLU HB2 H 1 2.169 0.008 . 2 . . . . . . . . 4519 1 249 . 1 1 43 43 GLU HB3 H 1 1.651 0.005 . 2 . . . . . . . . 4519 1 250 . 1 1 43 43 GLU CG C 13 36.033 0.000 . 1 . . . . . . . . 4519 1 251 . 1 1 43 43 GLU HG2 H 1 2.361 0.004 . 2 . . . . . . . . 4519 1 252 . 1 1 43 43 GLU HG3 H 1 2.254 0.009 . 2 . . . . . . . . 4519 1 253 . 1 1 43 43 GLU C C 13 176.021 0.000 . 1 . . . . . . . . 4519 1 254 . 1 1 44 44 ASP N N 15 119.264 0.194 . 1 . . . . . . . . 4519 1 255 . 1 1 44 44 ASP H H 1 8.301 0.008 . 1 . . . . . . . . 4519 1 256 . 1 1 44 44 ASP CA C 13 56.335 0.226 . 1 . . . . . . . . 4519 1 257 . 1 1 44 44 ASP HA H 1 4.451 0.018 . 1 . . . . . . . . 4519 1 258 . 1 1 44 44 ASP CB C 13 40.975 0.000 . 1 . . . . . . . . 4519 1 259 . 1 1 44 44 ASP HB2 H 1 2.655 0.023 . 1 . . . . . . . . 4519 1 260 . 1 1 44 44 ASP HB3 H 1 2.655 0.023 . 1 . . . . . . . . 4519 1 261 . 1 1 44 44 ASP C C 13 177.572 0.010 . 1 . . . . . . . . 4519 1 262 . 1 1 45 45 GLY N N 15 111.313 0.165 . 1 . . . . . . . . 4519 1 263 . 1 1 45 45 GLY H H 1 8.879 0.009 . 1 . . . . . . . . 4519 1 264 . 1 1 45 45 GLY CA C 13 45.675 0.000 . 1 . . . . . . . . 4519 1 265 . 1 1 45 45 GLY HA2 H 1 4.280 0.004 . 2 . . . . . . . . 4519 1 266 . 1 1 45 45 GLY HA3 H 1 3.790 0.004 . 2 . . . . . . . . 4519 1 267 . 1 1 45 45 GLY C C 13 173.434 0.000 . 1 . . . . . . . . 4519 1 268 . 1 1 46 46 GLN N N 15 118.386 0.149 . 1 . . . . . . . . 4519 1 269 . 1 1 46 46 GLN H H 1 7.992 0.010 . 1 . . . . . . . . 4519 1 270 . 1 1 46 46 GLN CA C 13 53.051 0.171 . 1 . . . . . . . . 4519 1 271 . 1 1 46 46 GLN HA H 1 5.484 0.014 . 1 . . . . . . . . 4519 1 272 . 1 1 46 46 GLN CB C 13 32.646 0.000 . 1 . . . . . . . . 4519 1 273 . 1 1 46 46 GLN HB2 H 1 2.308 0.000 . 2 . . . . . . . . 4519 1 274 . 1 1 46 46 GLN HB3 H 1 1.861 0.003 . 2 . . . . . . . . 4519 1 275 . 1 1 46 46 GLN CG C 13 39.436 0.000 . 1 . . . . . . . . 4519 1 276 . 1 1 46 46 GLN HG2 H 1 2.205 0.014 . 1 . . . . . . . . 4519 1 277 . 1 1 46 46 GLN HG3 H 1 2.205 0.014 . 1 . . . . . . . . 4519 1 278 . 1 1 46 46 GLN NE2 N 15 109.842 0.057 . 1 . . . . . . . . 4519 1 279 . 1 1 46 46 GLN HE21 H 1 7.385 0.003 . 2 . . . . . . . . 4519 1 280 . 1 1 46 46 GLN HE22 H 1 6.594 0.005 . 2 . . . . . . . . 4519 1 281 . 1 1 46 46 GLN C C 13 174.674 0.021 . 1 . . . . . . . . 4519 1 282 . 1 1 47 47 GLU N N 15 116.794 0.132 . 1 . . . . . . . . 4519 1 283 . 1 1 47 47 GLU H H 1 8.814 0.010 . 1 . . . . . . . . 4519 1 284 . 1 1 47 47 GLU CA C 13 54.259 0.151 . 1 . . . . . . . . 4519 1 285 . 1 1 47 47 GLU HA H 1 4.514 0.015 . 1 . . . . . . . . 4519 1 286 . 1 1 47 47 GLU CB C 13 34.304 0.033 . 1 . . . . . . . . 4519 1 287 . 1 1 47 47 GLU HB2 H 1 1.800 0.000 . 2 . . . . . . . . 4519 1 288 . 1 1 47 47 GLU HB3 H 1 1.747 0.007 . 2 . . . . . . . . 4519 1 289 . 1 1 47 47 GLU CG C 13 36.132 0.000 . 1 . . . . . . . . 4519 1 290 . 1 1 47 47 GLU HG2 H 1 2.907 0.000 . 2 . . . . . . . . 4519 1 291 . 1 1 47 47 GLU HG3 H 1 2.122 0.004 . 2 . . . . . . . . 4519 1 292 . 1 1 47 47 GLU C C 13 174.785 0.000 . 1 . . . . . . . . 4519 1 293 . 1 1 48 48 TYR N N 15 124.019 0.184 . 1 . . . . . . . . 4519 1 294 . 1 1 48 48 TYR H H 1 9.564 0.005 . 1 . . . . . . . . 4519 1 295 . 1 1 48 48 TYR CA C 13 57.408 0.154 . 1 . . . . . . . . 4519 1 296 . 1 1 48 48 TYR HA H 1 5.624 0.024 . 1 . . . . . . . . 4519 1 297 . 1 1 48 48 TYR CB C 13 41.402 0.000 . 1 . . . . . . . . 4519 1 298 . 1 1 48 48 TYR HB2 H 1 3.143 0.000 . 2 . . . . . . . . 4519 1 299 . 1 1 48 48 TYR HB3 H 1 2.900 0.000 . 2 . . . . . . . . 4519 1 300 . 1 1 48 48 TYR HD1 H 1 7.248 0.000 . 1 . . . . . . . . 4519 1 301 . 1 1 48 48 TYR HD2 H 1 7.248 0.000 . 1 . . . . . . . . 4519 1 302 . 1 1 48 48 TYR HE1 H 1 7.128 0.008 . 1 . . . . . . . . 4519 1 303 . 1 1 48 48 TYR HE2 H 1 7.128 0.008 . 1 . . . . . . . . 4519 1 304 . 1 1 48 48 TYR C C 13 177.048 0.016 . 1 . . . . . . . . 4519 1 305 . 1 1 49 49 ALA N N 15 123.801 0.179 . 1 . . . . . . . . 4519 1 306 . 1 1 49 49 ALA H H 1 9.693 0.012 . 1 . . . . . . . . 4519 1 307 . 1 1 49 49 ALA CA C 13 51.003 0.149 . 1 . . . . . . . . 4519 1 308 . 1 1 49 49 ALA HA H 1 5.074 0.015 . 1 . . . . . . . . 4519 1 309 . 1 1 49 49 ALA HB1 H 1 1.240 0.016 . 1 . . . . . . . . 4519 1 310 . 1 1 49 49 ALA HB2 H 1 1.240 0.016 . 1 . . . . . . . . 4519 1 311 . 1 1 49 49 ALA HB3 H 1 1.240 0.016 . 1 . . . . . . . . 4519 1 312 . 1 1 49 49 ALA CB C 13 25.555 0.048 . 1 . . . . . . . . 4519 1 313 . 1 1 49 49 ALA C C 13 174.039 0.006 . 1 . . . . . . . . 4519 1 314 . 1 1 50 50 GLN N N 15 119.876 0.170 . 1 . . . . . . . . 4519 1 315 . 1 1 50 50 GLN H H 1 8.514 0.010 . 1 . . . . . . . . 4519 1 316 . 1 1 50 50 GLN CA C 13 53.587 0.228 . 1 . . . . . . . . 4519 1 317 . 1 1 50 50 GLN HA H 1 5.604 0.006 . 1 . . . . . . . . 4519 1 318 . 1 1 50 50 GLN HB3 H 1 1.744 0.004 . 2 . . . . . . . . 4519 1 319 . 1 1 50 50 GLN HB2 H 1 2.230 0.000 . 2 . . . . . . . . 4519 1 320 . 1 1 50 50 GLN CG C 13 33.380 0.000 . 1 . . . . . . . . 4519 1 321 . 1 1 50 50 GLN HG2 H 1 2.126 0.006 . 1 . . . . . . . . 4519 1 322 . 1 1 50 50 GLN HG3 H 1 2.126 0.006 . 1 . . . . . . . . 4519 1 323 . 1 1 50 50 GLN NE2 N 15 112.555 0.000 . 1 . . . . . . . . 4519 1 324 . 1 1 50 50 GLN HE21 H 1 7.848 0.002 . 2 . . . . . . . . 4519 1 325 . 1 1 50 50 GLN HE22 H 1 7.289 0.008 . 2 . . . . . . . . 4519 1 326 . 1 1 50 50 GLN C C 13 175.786 0.001 . 1 . . . . . . . . 4519 1 327 . 1 1 51 51 VAL N N 15 127.398 0.171 . 1 . . . . . . . . 4519 1 328 . 1 1 51 51 VAL H H 1 9.086 0.014 . 1 . . . . . . . . 4519 1 329 . 1 1 51 51 VAL CA C 13 66.009 0.160 . 1 . . . . . . . . 4519 1 330 . 1 1 51 51 VAL HA H 1 3.496 0.027 . 1 . . . . . . . . 4519 1 331 . 1 1 51 51 VAL HB H 1 2.308 0.004 . 1 . . . . . . . . 4519 1 332 . 1 1 51 51 VAL CG1 C 13 22.093 0.037 . 1 . . . . . . . . 4519 1 333 . 1 1 51 51 VAL HG11 H 1 0.840 0.005 . 1 . . . . . . . . 4519 1 334 . 1 1 51 51 VAL HG12 H 1 0.840 0.005 . 1 . . . . . . . . 4519 1 335 . 1 1 51 51 VAL HG13 H 1 0.840 0.005 . 1 . . . . . . . . 4519 1 336 . 1 1 51 51 VAL CG2 C 13 22.635 0.000 . 1 . . . . . . . . 4519 1 337 . 1 1 51 51 VAL HG21 H 1 1.005 0.000 . 1 . . . . . . . . 4519 1 338 . 1 1 51 51 VAL HG22 H 1 1.005 0.000 . 1 . . . . . . . . 4519 1 339 . 1 1 51 51 VAL HG23 H 1 1.005 0.000 . 1 . . . . . . . . 4519 1 340 . 1 1 51 51 VAL C C 13 176.909 0.000 . 1 . . . . . . . . 4519 1 341 . 1 1 52 52 ILE N N 15 128.519 0.236 . 1 . . . . . . . . 4519 1 342 . 1 1 52 52 ILE H H 1 9.348 0.008 . 1 . . . . . . . . 4519 1 343 . 1 1 52 52 ILE CA C 13 62.403 0.215 . 1 . . . . . . . . 4519 1 344 . 1 1 52 52 ILE HA H 1 4.402 0.010 . 1 . . . . . . . . 4519 1 345 . 1 1 52 52 ILE CB C 13 39.728 0.125 . 1 . . . . . . . . 4519 1 346 . 1 1 52 52 ILE HB H 1 1.762 0.000 . 1 . . . . . . . . 4519 1 347 . 1 1 52 52 ILE HG12 H 1 1.521 0.018 . 2 . . . . . . . . 4519 1 348 . 1 1 52 52 ILE HG13 H 1 1.116 0.015 . 2 . . . . . . . . 4519 1 349 . 1 1 52 52 ILE CG2 C 13 17.506 0.000 . 1 . . . . . . . . 4519 1 350 . 1 1 52 52 ILE HG21 H 1 0.952 0.009 . 1 . . . . . . . . 4519 1 351 . 1 1 52 52 ILE HG22 H 1 0.952 0.009 . 1 . . . . . . . . 4519 1 352 . 1 1 52 52 ILE HG23 H 1 0.952 0.009 . 1 . . . . . . . . 4519 1 353 . 1 1 52 52 ILE CD1 C 13 13.473 0.045 . 1 . . . . . . . . 4519 1 354 . 1 1 52 52 ILE HD11 H 1 0.813 0.012 . 1 . . . . . . . . 4519 1 355 . 1 1 52 52 ILE HD12 H 1 0.813 0.012 . 1 . . . . . . . . 4519 1 356 . 1 1 52 52 ILE HD13 H 1 0.813 0.012 . 1 . . . . . . . . 4519 1 357 . 1 1 52 52 ILE C C 13 175.776 0.011 . 1 . . . . . . . . 4519 1 358 . 1 1 53 53 LYS N N 15 117.355 0.152 . 1 . . . . . . . . 4519 1 359 . 1 1 53 53 LYS H H 1 7.568 0.008 . 1 . . . . . . . . 4519 1 360 . 1 1 53 53 LYS CA C 13 56.145 0.265 . 1 . . . . . . . . 4519 1 361 . 1 1 53 53 LYS HA H 1 4.526 0.006 . 1 . . . . . . . . 4519 1 362 . 1 1 53 53 LYS CB C 13 36.193 0.000 . 1 . . . . . . . . 4519 1 363 . 1 1 53 53 LYS HB2 H 1 1.784 0.015 . 1 . . . . . . . . 4519 1 364 . 1 1 53 53 LYS HB3 H 1 1.784 0.015 . 1 . . . . . . . . 4519 1 365 . 1 1 53 53 LYS CG C 13 24.718 0.000 . 1 . . . . . . . . 4519 1 366 . 1 1 53 53 LYS HG2 H 1 1.295 0.002 . 1 . . . . . . . . 4519 1 367 . 1 1 53 53 LYS HG3 H 1 1.295 0.002 . 1 . . . . . . . . 4519 1 368 . 1 1 53 53 LYS CD C 13 29.251 0.000 . 1 . . . . . . . . 4519 1 369 . 1 1 53 53 LYS HD2 H 1 1.644 0.000 . 1 . . . . . . . . 4519 1 370 . 1 1 53 53 LYS HD3 H 1 1.644 0.000 . 1 . . . . . . . . 4519 1 371 . 1 1 53 53 LYS CE C 13 41.913 0.000 . 1 . . . . . . . . 4519 1 372 . 1 1 53 53 LYS HE2 H 1 2.967 0.000 . 1 . . . . . . . . 4519 1 373 . 1 1 53 53 LYS HE3 H 1 2.967 0.000 . 1 . . . . . . . . 4519 1 374 . 1 1 53 53 LYS C C 13 174.459 0.020 . 1 . . . . . . . . 4519 1 375 . 1 1 54 54 MET N N 15 124.310 0.210 . 1 . . . . . . . . 4519 1 376 . 1 1 54 54 MET H H 1 8.976 0.011 . 1 . . . . . . . . 4519 1 377 . 1 1 54 54 MET CA C 13 53.999 0.247 . 1 . . . . . . . . 4519 1 378 . 1 1 54 54 MET HA H 1 4.749 0.011 . 1 . . . . . . . . 4519 1 379 . 1 1 54 54 MET CB C 13 31.005 0.000 . 1 . . . . . . . . 4519 1 380 . 1 1 54 54 MET HB2 H 1 2.206 0.000 . 2 . . . . . . . . 4519 1 381 . 1 1 54 54 MET HB3 H 1 2.045 0.000 . 2 . . . . . . . . 4519 1 382 . 1 1 54 54 MET CG C 13 31.395 0.000 . 1 . . . . . . . . 4519 1 383 . 1 1 54 54 MET HG2 H 1 2.753 0.000 . 2 . . . . . . . . 4519 1 384 . 1 1 54 54 MET HG3 H 1 2.396 0.000 . 2 . . . . . . . . 4519 1 385 . 1 1 54 54 MET CE C 13 16.106 0.000 . 1 . . . . . . . . 4519 1 386 . 1 1 54 54 MET HE1 H 1 1.931 0.000 . 1 . . . . . . . . 4519 1 387 . 1 1 54 54 MET HE2 H 1 1.931 0.000 . 1 . . . . . . . . 4519 1 388 . 1 1 54 54 MET HE3 H 1 1.931 0.000 . 1 . . . . . . . . 4519 1 389 . 1 1 54 54 MET C C 13 176.516 0.020 . 1 . . . . . . . . 4519 1 390 . 1 1 55 55 LEU N N 15 122.746 0.184 . 1 . . . . . . . . 4519 1 391 . 1 1 55 55 LEU H H 1 8.032 0.016 . 1 . . . . . . . . 4519 1 392 . 1 1 55 55 LEU CA C 13 54.379 0.324 . 1 . . . . . . . . 4519 1 393 . 1 1 55 55 LEU HA H 1 4.599 0.008 . 1 . . . . . . . . 4519 1 394 . 1 1 55 55 LEU CB C 13 43.289 0.000 . 1 . . . . . . . . 4519 1 395 . 1 1 55 55 LEU HB2 H 1 1.640 0.004 . 2 . . . . . . . . 4519 1 396 . 1 1 55 55 LEU HB3 H 1 1.414 0.000 . 2 . . . . . . . . 4519 1 397 . 1 1 55 55 LEU CG C 13 28.058 0.000 . 1 . . . . . . . . 4519 1 398 . 1 1 55 55 LEU CD1 C 13 26.131 0.000 . 1 . . . . . . . . 4519 1 399 . 1 1 55 55 LEU HD11 H 1 0.782 0.009 . 1 . . . . . . . . 4519 1 400 . 1 1 55 55 LEU HD12 H 1 0.782 0.009 . 1 . . . . . . . . 4519 1 401 . 1 1 55 55 LEU HD13 H 1 0.782 0.009 . 1 . . . . . . . . 4519 1 402 . 1 1 55 55 LEU CD2 C 13 22.919 0.000 . 1 . . . . . . . . 4519 1 403 . 1 1 55 55 LEU HD21 H 1 0.834 0.009 . 1 . . . . . . . . 4519 1 404 . 1 1 55 55 LEU HD22 H 1 0.834 0.009 . 1 . . . . . . . . 4519 1 405 . 1 1 55 55 LEU HD23 H 1 0.834 0.009 . 1 . . . . . . . . 4519 1 406 . 1 1 55 55 LEU C C 13 177.454 0.021 . 1 . . . . . . . . 4519 1 407 . 1 1 56 56 GLY N N 15 108.365 0.221 . 1 . . . . . . . . 4519 1 408 . 1 1 56 56 GLY H H 1 8.040 0.013 . 1 . . . . . . . . 4519 1 409 . 1 1 56 56 GLY CA C 13 44.387 0.120 . 1 . . . . . . . . 4519 1 410 . 1 1 56 56 GLY HA2 H 1 4.300 0.008 . 2 . . . . . . . . 4519 1 411 . 1 1 56 56 GLY HA3 H 1 3.940 0.008 . 2 . . . . . . . . 4519 1 412 . 1 1 57 57 ASN CA C 13 54.042 0.153 . 1 . . . . . . . . 4519 1 413 . 1 1 57 57 ASN HA H 1 4.450 0.010 . 1 . . . . . . . . 4519 1 414 . 1 1 57 57 ASN CB C 13 38.126 0.051 . 1 . . . . . . . . 4519 1 415 . 1 1 57 57 ASN HB2 H 1 3.018 0.008 . 2 . . . . . . . . 4519 1 416 . 1 1 57 57 ASN HB3 H 1 2.746 0.006 . 2 . . . . . . . . 4519 1 417 . 1 1 57 57 ASN C C 13 175.743 0.000 . 1 . . . . . . . . 4519 1 418 . 1 1 58 58 GLY N N 15 104.702 0.190 . 1 . . . . . . . . 4519 1 419 . 1 1 58 58 GLY H H 1 8.651 0.017 . 1 . . . . . . . . 4519 1 420 . 1 1 58 58 GLY CA C 13 46.501 0.000 . 1 . . . . . . . . 4519 1 421 . 1 1 58 58 GLY HA2 H 1 4.100 0.005 . 2 . . . . . . . . 4519 1 422 . 1 1 58 58 GLY HA3 H 1 3.780 0.005 . 2 . . . . . . . . 4519 1 423 . 1 1 58 58 GLY C C 13 173.541 0.000 . 1 . . . . . . . . 4519 1 424 . 1 1 59 59 ARG N N 15 117.562 0.172 . 1 . . . . . . . . 4519 1 425 . 1 1 59 59 ARG H H 1 7.356 0.013 . 1 . . . . . . . . 4519 1 426 . 1 1 59 59 ARG CA C 13 54.333 0.101 . 1 . . . . . . . . 4519 1 427 . 1 1 59 59 ARG HA H 1 5.383 0.012 . 1 . . . . . . . . 4519 1 428 . 1 1 59 59 ARG CB C 13 34.308 0.000 . 1 . . . . . . . . 4519 1 429 . 1 1 59 59 ARG HB2 H 1 1.807 0.000 . 1 . . . . . . . . 4519 1 430 . 1 1 59 59 ARG HB3 H 1 1.807 0.000 . 1 . . . . . . . . 4519 1 431 . 1 1 59 59 ARG CG C 13 27.620 0.000 . 1 . . . . . . . . 4519 1 432 . 1 1 59 59 ARG HG2 H 1 1.572 0.000 . 2 . . . . . . . . 4519 1 433 . 1 1 59 59 ARG HG3 H 1 1.390 0.000 . 2 . . . . . . . . 4519 1 434 . 1 1 59 59 ARG CD C 13 43.748 0.000 . 1 . . . . . . . . 4519 1 435 . 1 1 59 59 ARG HD2 H 1 3.190 0.014 . 2 . . . . . . . . 4519 1 436 . 1 1 59 59 ARG HD3 H 1 3.076 0.016 . 2 . . . . . . . . 4519 1 437 . 1 1 59 59 ARG C C 13 175.391 0.010 . 1 . . . . . . . . 4519 1 438 . 1 1 60 60 LEU N N 15 117.683 0.167 . 1 . . . . . . . . 4519 1 439 . 1 1 60 60 LEU H H 1 8.871 0.011 . 1 . . . . . . . . 4519 1 440 . 1 1 60 60 LEU CA C 13 54.314 0.130 . 1 . . . . . . . . 4519 1 441 . 1 1 60 60 LEU HA H 1 4.813 0.006 . 1 . . . . . . . . 4519 1 442 . 1 1 60 60 LEU CB C 13 44.115 0.000 . 1 . . . . . . . . 4519 1 443 . 1 1 60 60 LEU HB2 H 1 2.184 0.001 . 2 . . . . . . . . 4519 1 444 . 1 1 60 60 LEU HB3 H 1 1.811 0.008 . 2 . . . . . . . . 4519 1 445 . 1 1 60 60 LEU CG C 13 25.899 0.000 . 1 . . . . . . . . 4519 1 446 . 1 1 60 60 LEU HG H 1 1.544 0.010 . 1 . . . . . . . . 4519 1 447 . 1 1 60 60 LEU CD1 C 13 27.808 0.000 . 1 . . . . . . . . 4519 1 448 . 1 1 60 60 LEU HD11 H 1 0.700 0.013 . 1 . . . . . . . . 4519 1 449 . 1 1 60 60 LEU HD12 H 1 0.700 0.013 . 1 . . . . . . . . 4519 1 450 . 1 1 60 60 LEU HD13 H 1 0.700 0.013 . 1 . . . . . . . . 4519 1 451 . 1 1 60 60 LEU CD2 C 13 28.452 0.142 . 1 . . . . . . . . 4519 1 452 . 1 1 60 60 LEU HD21 H 1 0.729 0.006 . 1 . . . . . . . . 4519 1 453 . 1 1 60 60 LEU HD22 H 1 0.729 0.006 . 1 . . . . . . . . 4519 1 454 . 1 1 60 60 LEU HD23 H 1 0.729 0.006 . 1 . . . . . . . . 4519 1 455 . 1 1 60 60 LEU C C 13 174.229 0.025 . 1 . . . . . . . . 4519 1 456 . 1 1 61 61 GLU N N 15 121.251 0.185 . 1 . . . . . . . . 4519 1 457 . 1 1 61 61 GLU H H 1 9.194 0.008 . 1 . . . . . . . . 4519 1 458 . 1 1 61 61 GLU CA C 13 55.224 0.145 . 1 . . . . . . . . 4519 1 459 . 1 1 61 61 GLU HA H 1 5.037 0.008 . 1 . . . . . . . . 4519 1 460 . 1 1 61 61 GLU CB C 13 33.152 0.029 . 1 . . . . . . . . 4519 1 461 . 1 1 61 61 GLU HB2 H 1 1.924 0.015 . 1 . . . . . . . . 4519 1 462 . 1 1 61 61 GLU HB3 H 1 1.924 0.015 . 1 . . . . . . . . 4519 1 463 . 1 1 61 61 GLU CG C 13 37.484 0.000 . 1 . . . . . . . . 4519 1 464 . 1 1 61 61 GLU HG2 H 1 2.160 0.028 . 2 . . . . . . . . 4519 1 465 . 1 1 61 61 GLU HG3 H 1 2.020 0.001 . 2 . . . . . . . . 4519 1 466 . 1 1 61 61 GLU C C 13 175.533 0.008 . 1 . . . . . . . . 4519 1 467 . 1 1 62 62 ALA N N 15 127.050 0.172 . 1 . . . . . . . . 4519 1 468 . 1 1 62 62 ALA H H 1 9.006 0.010 . 1 . . . . . . . . 4519 1 469 . 1 1 62 62 ALA CA C 13 50.252 0.000 . 1 . . . . . . . . 4519 1 470 . 1 1 62 62 ALA HA H 1 5.042 0.022 . 1 . . . . . . . . 4519 1 471 . 1 1 62 62 ALA CB C 13 23.865 0.020 . 1 . . . . . . . . 4519 1 472 . 1 1 62 62 ALA HB1 H 1 1.075 0.012 . 1 . . . . . . . . 4519 1 473 . 1 1 62 62 ALA HB2 H 1 1.075 0.012 . 1 . . . . . . . . 4519 1 474 . 1 1 62 62 ALA HB3 H 1 1.075 0.012 . 1 . . . . . . . . 4519 1 475 . 1 1 62 62 ALA C C 13 174.770 0.016 . 1 . . . . . . . . 4519 1 476 . 1 1 63 63 MET N N 15 122.445 0.147 . 1 . . . . . . . . 4519 1 477 . 1 1 63 63 MET H H 1 8.856 0.008 . 1 . . . . . . . . 4519 1 478 . 1 1 63 63 MET CA C 13 53.425 0.049 . 1 . . . . . . . . 4519 1 479 . 1 1 63 63 MET HA H 1 4.811 0.016 . 1 . . . . . . . . 4519 1 480 . 1 1 63 63 MET CB C 13 32.273 0.000 . 1 . . . . . . . . 4519 1 481 . 1 1 63 63 MET HB2 H 1 2.091 0.004 . 2 . . . . . . . . 4519 1 482 . 1 1 63 63 MET HB3 H 1 2.023 0.008 . 2 . . . . . . . . 4519 1 483 . 1 1 63 63 MET CG C 13 31.900 0.128 . 1 . . . . . . . . 4519 1 484 . 1 1 63 63 MET HG2 H 1 2.660 0.004 . 2 . . . . . . . . 4519 1 485 . 1 1 63 63 MET HG3 H 1 2.597 0.008 . 2 . . . . . . . . 4519 1 486 . 1 1 63 63 MET CE C 13 16.883 0.010 . 1 . . . . . . . . 4519 1 487 . 1 1 63 63 MET HE1 H 1 1.965 0.007 . 1 . . . . . . . . 4519 1 488 . 1 1 63 63 MET HE2 H 1 1.965 0.007 . 1 . . . . . . . . 4519 1 489 . 1 1 63 63 MET HE3 H 1 1.965 0.007 . 1 . . . . . . . . 4519 1 490 . 1 1 63 63 MET C C 13 175.671 0.008 . 1 . . . . . . . . 4519 1 491 . 1 1 64 64 CYS N N 15 126.893 0.089 . 1 . . . . . . . . 4519 1 492 . 1 1 64 64 CYS H H 1 8.238 0.011 . 1 . . . . . . . . 4519 1 493 . 1 1 64 64 CYS CA C 13 57.418 0.159 . 1 . . . . . . . . 4519 1 494 . 1 1 64 64 CYS HA H 1 5.074 0.012 . 1 . . . . . . . . 4519 1 495 . 1 1 64 64 CYS CB C 13 29.627 0.000 . 1 . . . . . . . . 4519 1 496 . 1 1 64 64 CYS HB2 H 1 3.935 0.010 . 2 . . . . . . . . 4519 1 497 . 1 1 64 64 CYS HB3 H 1 2.592 0.011 . 2 . . . . . . . . 4519 1 498 . 1 1 64 64 CYS C C 13 176.965 0.025 . 1 . . . . . . . . 4519 1 499 . 1 1 65 65 PHE N N 15 120.344 0.167 . 1 . . . . . . . . 4519 1 500 . 1 1 65 65 PHE H H 1 9.088 0.012 . 1 . . . . . . . . 4519 1 501 . 1 1 65 65 PHE CA C 13 62.019 0.210 . 1 . . . . . . . . 4519 1 502 . 1 1 65 65 PHE HA H 1 4.502 0.005 . 1 . . . . . . . . 4519 1 503 . 1 1 65 65 PHE CB C 13 37.374 0.000 . 1 . . . . . . . . 4519 1 504 . 1 1 65 65 PHE HB2 H 1 3.739 0.004 . 2 . . . . . . . . 4519 1 505 . 1 1 65 65 PHE HB3 H 1 3.040 0.006 . 2 . . . . . . . . 4519 1 506 . 1 1 65 65 PHE HD1 H 1 7.256 0.000 . 1 . . . . . . . . 4519 1 507 . 1 1 65 65 PHE HD2 H 1 7.256 0.000 . 1 . . . . . . . . 4519 1 508 . 1 1 65 65 PHE HE1 H 1 7.131 0.014 . 1 . . . . . . . . 4519 1 509 . 1 1 65 65 PHE HE2 H 1 7.131 0.014 . 1 . . . . . . . . 4519 1 510 . 1 1 65 65 PHE HZ H 1 7.110 0.005 . 1 . . . . . . . . 4519 1 511 . 1 1 65 65 PHE C C 13 174.697 0.065 . 1 . . . . . . . . 4519 1 512 . 1 1 66 66 ASP N N 15 116.476 0.153 . 1 . . . . . . . . 4519 1 513 . 1 1 66 66 ASP H H 1 8.313 0.014 . 1 . . . . . . . . 4519 1 514 . 1 1 66 66 ASP CA C 13 53.925 0.249 . 1 . . . . . . . . 4519 1 515 . 1 1 66 66 ASP HA H 1 4.710 0.028 . 1 . . . . . . . . 4519 1 516 . 1 1 66 66 ASP CB C 13 39.354 0.000 . 1 . . . . . . . . 4519 1 517 . 1 1 66 66 ASP HB2 H 1 3.030 0.004 . 2 . . . . . . . . 4519 1 518 . 1 1 66 66 ASP HB3 H 1 2.880 0.004 . 2 . . . . . . . . 4519 1 519 . 1 1 66 66 ASP C C 13 176.777 0.000 . 1 . . . . . . . . 4519 1 520 . 1 1 67 67 GLY N N 15 107.962 0.161 . 1 . . . . . . . . 4519 1 521 . 1 1 67 67 GLY H H 1 8.427 0.007 . 1 . . . . . . . . 4519 1 522 . 1 1 67 67 GLY CA C 13 45.176 0.262 . 1 . . . . . . . . 4519 1 523 . 1 1 67 67 GLY HA2 H 1 4.220 0.007 . 2 . . . . . . . . 4519 1 524 . 1 1 67 67 GLY HA3 H 1 3.710 0.007 . 2 . . . . . . . . 4519 1 525 . 1 1 67 67 GLY C C 13 173.627 0.000 . 1 . . . . . . . . 4519 1 526 . 1 1 68 68 VAL N N 15 121.503 0.168 . 1 . . . . . . . . 4519 1 527 . 1 1 68 68 VAL H H 1 7.056 0.009 . 1 . . . . . . . . 4519 1 528 . 1 1 68 68 VAL CA C 13 61.713 0.238 . 1 . . . . . . . . 4519 1 529 . 1 1 68 68 VAL HA H 1 4.157 0.015 . 1 . . . . . . . . 4519 1 530 . 1 1 68 68 VAL CB C 13 34.389 0.000 . 1 . . . . . . . . 4519 1 531 . 1 1 68 68 VAL HB H 1 1.970 0.022 . 1 . . . . . . . . 4519 1 532 . 1 1 68 68 VAL HG11 H 1 0.829 0.014 . 1 . . . . . . . . 4519 1 533 . 1 1 68 68 VAL HG12 H 1 0.829 0.014 . 1 . . . . . . . . 4519 1 534 . 1 1 68 68 VAL HG13 H 1 0.829 0.014 . 1 . . . . . . . . 4519 1 535 . 1 1 68 68 VAL HG21 H 1 0.749 0.016 . 1 . . . . . . . . 4519 1 536 . 1 1 68 68 VAL HG22 H 1 0.749 0.016 . 1 . . . . . . . . 4519 1 537 . 1 1 68 68 VAL HG23 H 1 0.749 0.016 . 1 . . . . . . . . 4519 1 538 . 1 1 68 68 VAL CG1 C 13 20.957 0.064 . 1 . . . . . . . . 4519 1 539 . 1 1 68 68 VAL CG2 C 13 21.391 0.000 . 1 . . . . . . . . 4519 1 540 . 1 1 68 68 VAL C C 13 175.618 0.003 . 1 . . . . . . . . 4519 1 541 . 1 1 69 69 LYS N N 15 130.486 0.197 . 1 . . . . . . . . 4519 1 542 . 1 1 69 69 LYS H H 1 8.706 0.008 . 1 . . . . . . . . 4519 1 543 . 1 1 69 69 LYS CA C 13 56.048 0.125 . 1 . . . . . . . . 4519 1 544 . 1 1 69 69 LYS HA H 1 4.994 0.009 . 1 . . . . . . . . 4519 1 545 . 1 1 69 69 LYS CB C 13 32.869 0.000 . 1 . . . . . . . . 4519 1 546 . 1 1 69 69 LYS HB2 H 1 1.716 0.077 . 1 . . . . . . . . 4519 1 547 . 1 1 69 69 LYS HB3 H 1 1.716 0.077 . 1 . . . . . . . . 4519 1 548 . 1 1 69 69 LYS CG C 13 25.305 0.000 . 1 . . . . . . . . 4519 1 549 . 1 1 69 69 LYS HG2 H 1 1.359 0.009 . 2 . . . . . . . . 4519 1 550 . 1 1 69 69 LYS HG3 H 1 1.211 0.006 . 2 . . . . . . . . 4519 1 551 . 1 1 69 69 LYS CD C 13 29.251 0.000 . 1 . . . . . . . . 4519 1 552 . 1 1 69 69 LYS HD2 H 1 1.656 0.005 . 1 . . . . . . . . 4519 1 553 . 1 1 69 69 LYS HD3 H 1 1.656 0.005 . 1 . . . . . . . . 4519 1 554 . 1 1 69 69 LYS CE C 13 41.729 0.000 . 1 . . . . . . . . 4519 1 555 . 1 1 69 69 LYS HE2 H 1 2.890 0.000 . 1 . . . . . . . . 4519 1 556 . 1 1 69 69 LYS HE3 H 1 2.890 0.000 . 1 . . . . . . . . 4519 1 557 . 1 1 69 69 LYS C C 13 176.387 0.008 . 1 . . . . . . . . 4519 1 558 . 1 1 70 70 ARG N N 15 122.336 0.226 . 1 . . . . . . . . 4519 1 559 . 1 1 70 70 ARG H H 1 8.867 0.012 . 1 . . . . . . . . 4519 1 560 . 1 1 70 70 ARG CA C 13 55.284 0.216 . 1 . . . . . . . . 4519 1 561 . 1 1 70 70 ARG HA H 1 4.922 0.032 . 1 . . . . . . . . 4519 1 562 . 1 1 70 70 ARG CB C 13 34.955 0.000 . 1 . . . . . . . . 4519 1 563 . 1 1 70 70 ARG HB2 H 1 1.666 0.006 . 1 . . . . . . . . 4519 1 564 . 1 1 70 70 ARG HB3 H 1 1.666 0.006 . 1 . . . . . . . . 4519 1 565 . 1 1 70 70 ARG CG C 13 34.600 0.114 . 1 . . . . . . . . 4519 1 566 . 1 1 70 70 ARG HG2 H 1 1.257 0.007 . 2 . . . . . . . . 4519 1 567 . 1 1 70 70 ARG HG3 H 1 0.872 0.015 . 2 . . . . . . . . 4519 1 568 . 1 1 70 70 ARG CD C 13 43.289 0.000 . 1 . . . . . . . . 4519 1 569 . 1 1 70 70 ARG HD2 H 1 2.729 0.014 . 2 . . . . . . . . 4519 1 570 . 1 1 70 70 ARG C C 13 174.470 0.009 . 1 . . . . . . . . 4519 1 571 . 1 1 71 71 LEU N N 15 125.866 0.884 . 1 . . . . . . . . 4519 1 572 . 1 1 71 71 LEU H H 1 8.326 0.015 . 1 . . . . . . . . 4519 1 573 . 1 1 71 71 LEU CA C 13 54.220 0.240 . 1 . . . . . . . . 4519 1 574 . 1 1 71 71 LEU HA H 1 4.779 0.011 . 1 . . . . . . . . 4519 1 575 . 1 1 71 71 LEU CB C 13 42.701 0.010 . 1 . . . . . . . . 4519 1 576 . 1 1 71 71 LEU HB2 H 1 1.733 0.000 . 2 . . . . . . . . 4519 1 577 . 1 1 71 71 LEU HB3 H 1 1.666 0.000 . 2 . . . . . . . . 4519 1 578 . 1 1 71 71 LEU HG H 1 1.552 0.000 . 1 . . . . . . . . 4519 1 579 . 1 1 71 71 LEU CD1 C 13 24.707 0.042 . 1 . . . . . . . . 4519 1 580 . 1 1 71 71 LEU HD11 H 1 0.837 0.007 . 1 . . . . . . . . 4519 1 581 . 1 1 71 71 LEU HD12 H 1 0.837 0.007 . 1 . . . . . . . . 4519 1 582 . 1 1 71 71 LEU HD13 H 1 0.837 0.007 . 1 . . . . . . . . 4519 1 583 . 1 1 71 71 LEU CD2 C 13 25.290 0.025 . 1 . . . . . . . . 4519 1 584 . 1 1 71 71 LEU HD21 H 1 0.871 0.003 . 1 . . . . . . . . 4519 1 585 . 1 1 71 71 LEU HD22 H 1 0.871 0.003 . 1 . . . . . . . . 4519 1 586 . 1 1 71 71 LEU HD23 H 1 0.871 0.003 . 1 . . . . . . . . 4519 1 587 . 1 1 71 71 LEU C C 13 176.486 0.027 . 1 . . . . . . . . 4519 1 588 . 1 1 72 72 CYS N N 15 122.405 0.180 . 1 . . . . . . . . 4519 1 589 . 1 1 72 72 CYS H H 1 9.405 0.010 . 1 . . . . . . . . 4519 1 590 . 1 1 72 72 CYS CA C 13 56.098 0.125 . 1 . . . . . . . . 4519 1 591 . 1 1 72 72 CYS HA H 1 5.553 0.006 . 1 . . . . . . . . 4519 1 592 . 1 1 72 72 CYS CB C 13 30.640 0.000 . 1 . . . . . . . . 4519 1 593 . 1 1 72 72 CYS HB2 H 1 2.545 0.026 . 2 . . . . . . . . 4519 1 594 . 1 1 72 72 CYS HB3 H 1 2.212 0.019 . 2 . . . . . . . . 4519 1 595 . 1 1 72 72 CYS C C 13 173.895 0.012 . 1 . . . . . . . . 4519 1 596 . 1 1 73 73 HIS N N 15 121.473 0.184 . 1 . . . . . . . . 4519 1 597 . 1 1 73 73 HIS H H 1 8.598 0.013 . 1 . . . . . . . . 4519 1 598 . 1 1 73 73 HIS CA C 13 55.697 0.157 . 1 . . . . . . . . 4519 1 599 . 1 1 73 73 HIS HA H 1 5.118 0.016 . 1 . . . . . . . . 4519 1 600 . 1 1 73 73 HIS CB C 13 32.128 0.000 . 1 . . . . . . . . 4519 1 601 . 1 1 73 73 HIS HB2 H 1 3.221 0.000 . 2 . . . . . . . . 4519 1 602 . 1 1 73 73 HIS HB3 H 1 3.157 0.000 . 2 . . . . . . . . 4519 1 603 . 1 1 73 73 HIS HD2 H 1 6.906 0.011 . 1 . . . . . . . . 4519 1 604 . 1 1 73 73 HIS HE1 H 1 7.700 0.008 . 1 . . . . . . . . 4519 1 605 . 1 1 73 73 HIS C C 13 174.977 0.000 . 1 . . . . . . . . 4519 1 606 . 1 1 74 74 ILE N N 15 126.382 0.153 . 1 . . . . . . . . 4519 1 607 . 1 1 74 74 ILE H H 1 8.964 0.008 . 1 . . . . . . . . 4519 1 608 . 1 1 74 74 ILE CA C 13 61.433 0.232 . 1 . . . . . . . . 4519 1 609 . 1 1 74 74 ILE HA H 1 4.160 0.019 . 1 . . . . . . . . 4519 1 610 . 1 1 74 74 ILE CB C 13 39.218 0.013 . 1 . . . . . . . . 4519 1 611 . 1 1 74 74 ILE HB H 1 1.658 0.000 . 1 . . . . . . . . 4519 1 612 . 1 1 74 74 ILE CG2 C 13 18.423 0.000 . 1 . . . . . . . . 4519 1 613 . 1 1 74 74 ILE HG21 H 1 0.834 0.000 . 1 . . . . . . . . 4519 1 614 . 1 1 74 74 ILE HG22 H 1 0.834 0.000 . 1 . . . . . . . . 4519 1 615 . 1 1 74 74 ILE HG23 H 1 0.834 0.000 . 1 . . . . . . . . 4519 1 616 . 1 1 74 74 ILE HG12 H 1 1.450 0.000 . 1 . . . . . . . . 4519 1 617 . 1 1 74 74 ILE HG13 H 1 1.450 0.000 . 1 . . . . . . . . 4519 1 618 . 1 1 74 74 ILE CD1 C 13 14.552 0.000 . 1 . . . . . . . . 4519 1 619 . 1 1 74 74 ILE HD11 H 1 0.741 0.007 . 1 . . . . . . . . 4519 1 620 . 1 1 74 74 ILE HD12 H 1 0.741 0.007 . 1 . . . . . . . . 4519 1 621 . 1 1 74 74 ILE HD13 H 1 0.741 0.007 . 1 . . . . . . . . 4519 1 622 . 1 1 74 74 ILE C C 13 174.969 0.000 . 1 . . . . . . . . 4519 1 623 . 1 1 75 75 ARG N N 15 127.140 0.215 . 1 . . . . . . . . 4519 1 624 . 1 1 75 75 ARG H H 1 8.700 0.009 . 1 . . . . . . . . 4519 1 625 . 1 1 75 75 ARG CA C 13 55.666 0.241 . 1 . . . . . . . . 4519 1 626 . 1 1 75 75 ARG HA H 1 4.469 0.000 . 1 . . . . . . . . 4519 1 627 . 1 1 75 75 ARG CB C 13 31.815 0.000 . 1 . . . . . . . . 4519 1 628 . 1 1 75 75 ARG HB2 H 1 1.969 0.000 . 1 . . . . . . . . 4519 1 629 . 1 1 75 75 ARG HB3 H 1 1.969 0.000 . 1 . . . . . . . . 4519 1 630 . 1 1 75 75 ARG CG C 13 27.415 0.000 . 1 . . . . . . . . 4519 1 631 . 1 1 75 75 ARG HG2 H 1 1.690 0.000 . 1 . . . . . . . . 4519 1 632 . 1 1 75 75 ARG HG3 H 1 1.690 0.000 . 1 . . . . . . . . 4519 1 633 . 1 1 75 75 ARG CD C 13 43.748 0.000 . 1 . . . . . . . . 4519 1 634 . 1 1 75 75 ARG HD2 H 1 3.240 0.000 . 2 . . . . . . . . 4519 1 635 . 1 1 75 75 ARG HD3 H 1 3.172 0.000 . 2 . . . . . . . . 4519 1 636 . 1 1 75 75 ARG C C 13 177.160 0.005 . 1 . . . . . . . . 4519 1 637 . 1 1 76 76 GLY N N 15 110.075 0.218 . 1 . . . . . . . . 4519 1 638 . 1 1 76 76 GLY H H 1 8.831 0.016 . 1 . . . . . . . . 4519 1 639 . 1 1 76 76 GLY CA C 13 46.580 0.018 . 1 . . . . . . . . 4519 1 640 . 1 1 76 76 GLY HA2 H 1 4.080 0.010 . 2 . . . . . . . . 4519 1 641 . 1 1 76 76 GLY HA3 H 1 3.770 0.012 . 2 . . . . . . . . 4519 1 642 . 1 1 77 77 LYS CA C 13 58.276 0.130 . 1 . . . . . . . . 4519 1 643 . 1 1 77 77 LYS HA H 1 4.128 0.005 . 1 . . . . . . . . 4519 1 644 . 1 1 77 77 LYS CB C 13 32.531 0.161 . 1 . . . . . . . . 4519 1 645 . 1 1 77 77 LYS HB2 H 1 1.853 0.000 . 1 . . . . . . . . 4519 1 646 . 1 1 77 77 LYS HB3 H 1 1.853 0.000 . 1 . . . . . . . . 4519 1 647 . 1 1 77 77 LYS HE2 H 1 3.029 0.000 . 1 . . . . . . . . 4519 1 648 . 1 1 77 77 LYS HE3 H 1 3.029 0.000 . 1 . . . . . . . . 4519 1 649 . 1 1 77 77 LYS C C 13 177.882 0.000 . 1 . . . . . . . . 4519 1 650 . 1 1 78 78 LEU N N 15 119.527 0.176 . 1 . . . . . . . . 4519 1 651 . 1 1 78 78 LEU H H 1 7.718 0.010 . 1 . . . . . . . . 4519 1 652 . 1 1 78 78 LEU CA C 13 56.525 0.192 . 1 . . . . . . . . 4519 1 653 . 1 1 78 78 LEU HA H 1 4.216 0.002 . 1 . . . . . . . . 4519 1 654 . 1 1 78 78 LEU CB C 13 42.280 0.000 . 1 . . . . . . . . 4519 1 655 . 1 1 78 78 LEU HB2 H 1 1.658 0.000 . 2 . . . . . . . . 4519 1 656 . 1 1 78 78 LEU HB3 H 1 1.599 0.000 . 2 . . . . . . . . 4519 1 657 . 1 1 78 78 LEU HG H 1 1.642 0.015 . 1 . . . . . . . . 4519 1 658 . 1 1 78 78 LEU CD1 C 13 24.939 0.055 . 1 . . . . . . . . 4519 1 659 . 1 1 78 78 LEU HD11 H 1 0.878 0.012 . 1 . . . . . . . . 4519 1 660 . 1 1 78 78 LEU HD12 H 1 0.878 0.012 . 1 . . . . . . . . 4519 1 661 . 1 1 78 78 LEU HD13 H 1 0.878 0.012 . 1 . . . . . . . . 4519 1 662 . 1 1 78 78 LEU CD2 C 13 24.793 0.052 . 1 . . . . . . . . 4519 1 663 . 1 1 78 78 LEU HD21 H 1 0.775 0.000 . 1 . . . . . . . . 4519 1 664 . 1 1 78 78 LEU HD22 H 1 0.775 0.000 . 1 . . . . . . . . 4519 1 665 . 1 1 78 78 LEU HD23 H 1 0.775 0.000 . 1 . . . . . . . . 4519 1 666 . 1 1 78 78 LEU C C 13 178.070 0.004 . 1 . . . . . . . . 4519 1 667 . 1 1 79 79 ARG N N 15 117.926 0.208 . 1 . . . . . . . . 4519 1 668 . 1 1 79 79 ARG H H 1 7.702 0.006 . 1 . . . . . . . . 4519 1 669 . 1 1 79 79 ARG CA C 13 58.089 0.097 . 1 . . . . . . . . 4519 1 670 . 1 1 79 79 ARG HA H 1 4.033 0.008 . 1 . . . . . . . . 4519 1 671 . 1 1 79 79 ARG CB C 13 30.670 0.000 . 1 . . . . . . . . 4519 1 672 . 1 1 79 79 ARG HB2 H 1 1.896 0.000 . 2 . . . . . . . . 4519 1 673 . 1 1 79 79 ARG HB3 H 1 1.740 0.000 . 2 . . . . . . . . 4519 1 674 . 1 1 79 79 ARG CG C 13 27.415 0.000 . 1 . . . . . . . . 4519 1 675 . 1 1 79 79 ARG HG2 H 1 1.644 0.000 . 1 . . . . . . . . 4519 1 676 . 1 1 79 79 ARG HG3 H 1 1.644 0.000 . 1 . . . . . . . . 4519 1 677 . 1 1 79 79 ARG CD C 13 43.656 0.000 . 1 . . . . . . . . 4519 1 678 . 1 1 79 79 ARG HD2 H 1 3.220 0.000 . 1 . . . . . . . . 4519 1 679 . 1 1 79 79 ARG HD3 H 1 3.220 0.000 . 1 . . . . . . . . 4519 1 680 . 1 1 79 79 ARG C C 13 177.112 0.000 . 1 . . . . . . . . 4519 1 681 . 1 1 80 80 LYS N N 15 115.773 0.205 . 1 . . . . . . . . 4519 1 682 . 1 1 80 80 LYS H H 1 7.753 0.014 . 1 . . . . . . . . 4519 1 683 . 1 1 80 80 LYS CA C 13 56.891 0.212 . 1 . . . . . . . . 4519 1 684 . 1 1 80 80 LYS HA H 1 4.230 0.009 . 1 . . . . . . . . 4519 1 685 . 1 1 80 80 LYS CB C 13 33.096 0.000 . 1 . . . . . . . . 4519 1 686 . 1 1 80 80 LYS HB2 H 1 1.960 0.000 . 1 . . . . . . . . 4519 1 687 . 1 1 80 80 LYS HB3 H 1 1.960 0.000 . 1 . . . . . . . . 4519 1 688 . 1 1 80 80 LYS CG C 13 25.213 0.000 . 1 . . . . . . . . 4519 1 689 . 1 1 80 80 LYS HG2 H 1 1.497 0.001 . 2 . . . . . . . . 4519 1 690 . 1 1 80 80 LYS HG3 H 1 1.445 0.004 . 2 . . . . . . . . 4519 1 691 . 1 1 80 80 LYS CD C 13 28.608 0.000 . 1 . . . . . . . . 4519 1 692 . 1 1 80 80 LYS HD2 H 1 1.738 0.000 . 1 . . . . . . . . 4519 1 693 . 1 1 80 80 LYS HD3 H 1 1.738 0.000 . 1 . . . . . . . . 4519 1 694 . 1 1 80 80 LYS HE2 H 1 2.999 0.000 . 1 . . . . . . . . 4519 1 695 . 1 1 80 80 LYS HE3 H 1 2.999 0.000 . 1 . . . . . . . . 4519 1 696 . 1 1 80 80 LYS C C 13 176.706 0.000 . 1 . . . . . . . . 4519 1 697 . 1 1 81 81 LYS N N 15 117.623 0.205 . 1 . . . . . . . . 4519 1 698 . 1 1 81 81 LYS H H 1 7.775 0.017 . 1 . . . . . . . . 4519 1 699 . 1 1 81 81 LYS CA C 13 56.461 0.234 . 1 . . . . . . . . 4519 1 700 . 1 1 81 81 LYS HA H 1 4.399 0.010 . 1 . . . . . . . . 4519 1 701 . 1 1 81 81 LYS CB C 13 34.297 0.000 . 1 . . . . . . . . 4519 1 702 . 1 1 81 81 LYS HB2 H 1 1.897 0.000 . 2 . . . . . . . . 4519 1 703 . 1 1 81 81 LYS HB3 H 1 1.802 0.001 . 2 . . . . . . . . 4519 1 704 . 1 1 81 81 LYS CG C 13 25.300 0.000 . 1 . . . . . . . . 4519 1 705 . 1 1 81 81 LYS HG2 H 1 1.480 0.000 . 1 . . . . . . . . 4519 1 706 . 1 1 81 81 LYS HG3 H 1 1.480 0.000 . 1 . . . . . . . . 4519 1 707 . 1 1 81 81 LYS CD C 13 28.792 0.000 . 1 . . . . . . . . 4519 1 708 . 1 1 81 81 LYS HD2 H 1 1.676 0.000 . 1 . . . . . . . . 4519 1 709 . 1 1 81 81 LYS HD3 H 1 1.676 0.000 . 1 . . . . . . . . 4519 1 710 . 1 1 81 81 LYS CE C 13 41.700 0.000 . 1 . . . . . . . . 4519 1 711 . 1 1 81 81 LYS HE2 H 1 2.991 0.000 . 1 . . . . . . . . 4519 1 712 . 1 1 81 81 LYS HE3 H 1 2.991 0.000 . 1 . . . . . . . . 4519 1 713 . 1 1 81 81 LYS C C 13 176.000 0.021 . 1 . . . . . . . . 4519 1 714 . 1 1 82 82 VAL N N 15 118.270 0.161 . 1 . . . . . . . . 4519 1 715 . 1 1 82 82 VAL H H 1 7.716 0.010 . 1 . . . . . . . . 4519 1 716 . 1 1 82 82 VAL CA C 13 61.145 0.196 . 1 . . . . . . . . 4519 1 717 . 1 1 82 82 VAL HA H 1 4.346 0.009 . 1 . . . . . . . . 4519 1 718 . 1 1 82 82 VAL CB C 13 34.022 0.000 . 1 . . . . . . . . 4519 1 719 . 1 1 82 82 VAL HB H 1 2.012 0.004 . 1 . . . . . . . . 4519 1 720 . 1 1 82 82 VAL CG1 C 13 21.397 0.010 . 1 . . . . . . . . 4519 1 721 . 1 1 82 82 VAL HG11 H 1 0.884 0.006 . 1 . . . . . . . . 4519 1 722 . 1 1 82 82 VAL HG12 H 1 0.884 0.006 . 1 . . . . . . . . 4519 1 723 . 1 1 82 82 VAL HG13 H 1 0.884 0.006 . 1 . . . . . . . . 4519 1 724 . 1 1 82 82 VAL CG2 C 13 21.131 0.149 . 1 . . . . . . . . 4519 1 725 . 1 1 82 82 VAL HG21 H 1 0.933 0.007 . 1 . . . . . . . . 4519 1 726 . 1 1 82 82 VAL HG22 H 1 0.933 0.007 . 1 . . . . . . . . 4519 1 727 . 1 1 82 82 VAL HG23 H 1 0.933 0.007 . 1 . . . . . . . . 4519 1 728 . 1 1 82 82 VAL C C 13 174.012 0.021 . 1 . . . . . . . . 4519 1 729 . 1 1 83 83 TRP N N 15 127.131 0.198 . 1 . . . . . . . . 4519 1 730 . 1 1 83 83 TRP H H 1 8.533 0.009 . 1 . . . . . . . . 4519 1 731 . 1 1 83 83 TRP CA C 13 56.454 0.230 . 1 . . . . . . . . 4519 1 732 . 1 1 83 83 TRP HA H 1 4.771 0.019 . 1 . . . . . . . . 4519 1 733 . 1 1 83 83 TRP CB C 13 29.985 0.000 . 1 . . . . . . . . 4519 1 734 . 1 1 83 83 TRP HB2 H 1 3.206 0.000 . 2 . . . . . . . . 4519 1 735 . 1 1 83 83 TRP HB3 H 1 3.111 0.000 . 2 . . . . . . . . 4519 1 736 . 1 1 83 83 TRP NE1 N 15 129.449 0.000 . 1 . . . . . . . . 4519 1 737 . 1 1 83 83 TRP HD1 H 1 7.154 0.003 . 1 . . . . . . . . 4519 1 738 . 1 1 83 83 TRP HE3 H 1 7.651 0.000 . 1 . . . . . . . . 4519 1 739 . 1 1 83 83 TRP HE1 H 1 10.018 0.007 . 1 . . . . . . . . 4519 1 740 . 1 1 83 83 TRP HH2 H 1 7.220 0.000 . 1 . . . . . . . . 4519 1 741 . 1 1 83 83 TRP HZ2 H 1 7.472 0.000 . 1 . . . . . . . . 4519 1 742 . 1 1 83 83 TRP HZ3 H 1 7.154 0.003 . 1 . . . . . . . . 4519 1 743 . 1 1 83 83 TRP C C 13 174.600 0.011 . 1 . . . . . . . . 4519 1 744 . 1 1 84 84 ILE N N 15 125.202 0.172 . 1 . . . . . . . . 4519 1 745 . 1 1 84 84 ILE H H 1 7.873 0.008 . 1 . . . . . . . . 4519 1 746 . 1 1 84 84 ILE CA C 13 60.378 0.197 . 1 . . . . . . . . 4519 1 747 . 1 1 84 84 ILE HA H 1 4.235 0.009 . 1 . . . . . . . . 4519 1 748 . 1 1 84 84 ILE CB C 13 39.921 0.086 . 1 . . . . . . . . 4519 1 749 . 1 1 84 84 ILE HB H 1 1.474 0.003 . 1 . . . . . . . . 4519 1 750 . 1 1 84 84 ILE HG21 H 1 0.880 0.010 . 1 . . . . . . . . 4519 1 751 . 1 1 84 84 ILE HG22 H 1 0.880 0.010 . 1 . . . . . . . . 4519 1 752 . 1 1 84 84 ILE HG23 H 1 0.880 0.010 . 1 . . . . . . . . 4519 1 753 . 1 1 84 84 ILE CG2 C 13 19.780 0.009 . 1 . . . . . . . . 4519 1 754 . 1 1 84 84 ILE HD11 H 1 0.615 0.013 . 1 . . . . . . . . 4519 1 755 . 1 1 84 84 ILE HD12 H 1 0.615 0.013 . 1 . . . . . . . . 4519 1 756 . 1 1 84 84 ILE HD13 H 1 0.615 0.013 . 1 . . . . . . . . 4519 1 757 . 1 1 84 84 ILE CD1 C 13 13.619 0.000 . 1 . . . . . . . . 4519 1 758 . 1 1 84 84 ILE C C 13 173.195 0.017 . 1 . . . . . . . . 4519 1 759 . 1 1 85 85 ASN N N 15 125.416 0.182 . 1 . . . . . . . . 4519 1 760 . 1 1 85 85 ASN H H 1 9.239 0.008 . 1 . . . . . . . . 4519 1 761 . 1 1 85 85 ASN CA C 13 50.927 0.000 . 1 . . . . . . . . 4519 1 762 . 1 1 85 85 ASN HA H 1 5.042 0.014 . 1 . . . . . . . . 4519 1 763 . 1 1 85 85 ASN CB C 13 42.815 0.121 . 1 . . . . . . . . 4519 1 764 . 1 1 85 85 ASN HB2 H 1 2.796 0.005 . 2 . . . . . . . . 4519 1 765 . 1 1 85 85 ASN HB3 H 1 2.462 0.011 . 2 . . . . . . . . 4519 1 766 . 1 1 85 85 ASN ND2 N 15 114.406 0.000 . 1 . . . . . . . . 4519 1 767 . 1 1 85 85 ASN HD21 H 1 7.808 0.001 . 2 . . . . . . . . 4519 1 768 . 1 1 85 85 ASN HD22 H 1 6.855 0.008 . 2 . . . . . . . . 4519 1 769 . 1 1 85 85 ASN C C 13 174.902 0.035 . 1 . . . . . . . . 4519 1 770 . 1 1 86 86 THR N N 15 114.316 0.163 . 1 . . . . . . . . 4519 1 771 . 1 1 86 86 THR H H 1 8.401 0.010 . 1 . . . . . . . . 4519 1 772 . 1 1 86 86 THR CA C 13 65.384 0.000 . 1 . . . . . . . . 4519 1 773 . 1 1 86 86 THR HA H 1 3.432 0.116 . 1 . . . . . . . . 4519 1 774 . 1 1 86 86 THR CB C 13 68.906 0.000 . 1 . . . . . . . . 4519 1 775 . 1 1 86 86 THR HB H 1 4.016 0.007 . 1 . . . . . . . . 4519 1 776 . 1 1 86 86 THR HG21 H 1 1.334 0.009 . 1 . . . . . . . . 4519 1 777 . 1 1 86 86 THR HG22 H 1 1.334 0.009 . 1 . . . . . . . . 4519 1 778 . 1 1 86 86 THR HG23 H 1 1.334 0.009 . 1 . . . . . . . . 4519 1 779 . 1 1 86 86 THR CG2 C 13 22.596 0.164 . 1 . . . . . . . . 4519 1 780 . 1 1 86 86 THR C C 13 174.747 0.034 . 1 . . . . . . . . 4519 1 781 . 1 1 87 87 SER N N 15 116.735 0.190 . 1 . . . . . . . . 4519 1 782 . 1 1 87 87 SER H H 1 8.757 0.197 . 1 . . . . . . . . 4519 1 783 . 1 1 87 87 SER CA C 13 62.209 0.294 . 1 . . . . . . . . 4519 1 784 . 1 1 87 87 SER HA H 1 4.108 0.009 . 1 . . . . . . . . 4519 1 785 . 1 1 87 87 SER CB C 13 62.385 0.102 . 1 . . . . . . . . 4519 1 786 . 1 1 87 87 SER HB2 H 1 4.505 0.016 . 1 . . . . . . . . 4519 1 787 . 1 1 87 87 SER HB3 H 1 4.505 0.016 . 1 . . . . . . . . 4519 1 788 . 1 1 87 87 SER C C 13 174.332 0.000 . 1 . . . . . . . . 4519 1 789 . 1 1 88 88 ASP N N 15 123.688 0.160 . 1 . . . . . . . . 4519 1 790 . 1 1 88 88 ASP H H 1 8.054 0.014 . 1 . . . . . . . . 4519 1 791 . 1 1 88 88 ASP CA C 13 55.944 0.229 . 1 . . . . . . . . 4519 1 792 . 1 1 88 88 ASP HA H 1 4.725 0.000 . 1 . . . . . . . . 4519 1 793 . 1 1 88 88 ASP CB C 13 41.543 0.000 . 1 . . . . . . . . 4519 1 794 . 1 1 88 88 ASP HB2 H 1 2.916 0.003 . 2 . . . . . . . . 4519 1 795 . 1 1 88 88 ASP HB3 H 1 2.552 0.003 . 2 . . . . . . . . 4519 1 796 . 1 1 88 88 ASP C C 13 175.114 0.023 . 1 . . . . . . . . 4519 1 797 . 1 1 89 89 ILE N N 15 122.400 0.180 . 1 . . . . . . . . 4519 1 798 . 1 1 89 89 ILE H H 1 9.547 0.017 . 1 . . . . . . . . 4519 1 799 . 1 1 89 89 ILE CA C 13 58.472 0.000 . 1 . . . . . . . . 4519 1 800 . 1 1 89 89 ILE HA H 1 5.390 0.011 . 1 . . . . . . . . 4519 1 801 . 1 1 89 89 ILE CB C 13 36.355 0.000 . 1 . . . . . . . . 4519 1 802 . 1 1 89 89 ILE HB H 1 2.107 0.004 . 1 . . . . . . . . 4519 1 803 . 1 1 89 89 ILE HG12 H 1 1.616 0.236 . 2 . . . . . . . . 4519 1 804 . 1 1 89 89 ILE HG13 H 1 1.361 0.000 . 2 . . . . . . . . 4519 1 805 . 1 1 89 89 ILE HG21 H 1 1.077 0.010 . 1 . . . . . . . . 4519 1 806 . 1 1 89 89 ILE HG22 H 1 1.077 0.010 . 1 . . . . . . . . 4519 1 807 . 1 1 89 89 ILE HG23 H 1 1.077 0.010 . 1 . . . . . . . . 4519 1 808 . 1 1 89 89 ILE HD11 H 1 0.873 0.001 . 1 . . . . . . . . 4519 1 809 . 1 1 89 89 ILE HD12 H 1 0.873 0.001 . 1 . . . . . . . . 4519 1 810 . 1 1 89 89 ILE HD13 H 1 0.873 0.001 . 1 . . . . . . . . 4519 1 811 . 1 1 89 89 ILE CG2 C 13 17.038 0.004 . 1 . . . . . . . . 4519 1 812 . 1 1 89 89 ILE CD1 C 13 9.888 0.000 . 1 . . . . . . . . 4519 1 813 . 1 1 89 89 ILE C C 13 175.562 0.001 . 1 . . . . . . . . 4519 1 814 . 1 1 90 90 ILE N N 15 118.591 0.183 . 1 . . . . . . . . 4519 1 815 . 1 1 90 90 ILE H H 1 9.257 0.015 . 1 . . . . . . . . 4519 1 816 . 1 1 90 90 ILE CA C 13 58.833 0.213 . 1 . . . . . . . . 4519 1 817 . 1 1 90 90 ILE HA H 1 5.283 0.007 . 1 . . . . . . . . 4519 1 818 . 1 1 90 90 ILE CB C 13 42.725 0.047 . 1 . . . . . . . . 4519 1 819 . 1 1 90 90 ILE HB H 1 2.098 0.011 . 1 . . . . . . . . 4519 1 820 . 1 1 90 90 ILE HG12 H 1 1.338 0.008 . 1 . . . . . . . . 4519 1 821 . 1 1 90 90 ILE HG13 H 1 1.338 0.008 . 1 . . . . . . . . 4519 1 822 . 1 1 90 90 ILE CG2 C 13 17.034 0.021 . 1 . . . . . . . . 4519 1 823 . 1 1 90 90 ILE HG21 H 1 0.807 0.010 . 1 . . . . . . . . 4519 1 824 . 1 1 90 90 ILE HG22 H 1 0.807 0.010 . 1 . . . . . . . . 4519 1 825 . 1 1 90 90 ILE HG23 H 1 0.807 0.010 . 1 . . . . . . . . 4519 1 826 . 1 1 90 90 ILE CD1 C 13 14.863 0.000 . 1 . . . . . . . . 4519 1 827 . 1 1 90 90 ILE HD11 H 1 0.597 0.012 . 1 . . . . . . . . 4519 1 828 . 1 1 90 90 ILE HD12 H 1 0.597 0.012 . 1 . . . . . . . . 4519 1 829 . 1 1 90 90 ILE HD13 H 1 0.597 0.012 . 1 . . . . . . . . 4519 1 830 . 1 1 90 90 ILE C C 13 173.144 0.012 . 1 . . . . . . . . 4519 1 831 . 1 1 91 91 LEU N N 15 122.605 0.105 . 1 . . . . . . . . 4519 1 832 . 1 1 91 91 LEU H H 1 8.575 0.025 . 1 . . . . . . . . 4519 1 833 . 1 1 91 91 LEU CA C 13 53.536 0.190 . 1 . . . . . . . . 4519 1 834 . 1 1 91 91 LEU HA H 1 5.270 0.008 . 1 . . . . . . . . 4519 1 835 . 1 1 91 91 LEU CB C 13 45.062 0.000 . 1 . . . . . . . . 4519 1 836 . 1 1 91 91 LEU HB2 H 1 1.840 0.000 . 2 . . . . . . . . 4519 1 837 . 1 1 91 91 LEU HB3 H 1 1.780 0.000 . 2 . . . . . . . . 4519 1 838 . 1 1 91 91 LEU HG H 1 1.419 0.000 . 1 . . . . . . . . 4519 1 839 . 1 1 91 91 LEU HD11 H 1 0.830 0.017 . 1 . . . . . . . . 4519 1 840 . 1 1 91 91 LEU HD12 H 1 0.830 0.017 . 1 . . . . . . . . 4519 1 841 . 1 1 91 91 LEU HD13 H 1 0.830 0.017 . 1 . . . . . . . . 4519 1 842 . 1 1 91 91 LEU HD21 H 1 0.755 0.008 . 1 . . . . . . . . 4519 1 843 . 1 1 91 91 LEU HD22 H 1 0.755 0.008 . 1 . . . . . . . . 4519 1 844 . 1 1 91 91 LEU HD23 H 1 0.755 0.008 . 1 . . . . . . . . 4519 1 845 . 1 1 91 91 LEU CD1 C 13 23.014 0.118 . 1 . . . . . . . . 4519 1 846 . 1 1 91 91 LEU CD2 C 13 25.320 0.050 . 1 . . . . . . . . 4519 1 847 . 1 1 91 91 LEU C C 13 176.600 0.002 . 1 . . . . . . . . 4519 1 848 . 1 1 92 92 VAL N N 15 119.152 0.187 . 1 . . . . . . . . 4519 1 849 . 1 1 92 92 VAL H H 1 9.340 0.013 . 1 . . . . . . . . 4519 1 850 . 1 1 92 92 VAL CA C 13 58.001 0.171 . 1 . . . . . . . . 4519 1 851 . 1 1 92 92 VAL CB C 13 34.797 0.000 . 1 . . . . . . . . 4519 1 852 . 1 1 92 92 VAL HA H 1 5.478 0.019 . 1 . . . . . . . . 4519 1 853 . 1 1 92 92 VAL HB H 1 2.068 0.075 . 1 . . . . . . . . 4519 1 854 . 1 1 92 92 VAL HG11 H 1 0.825 0.016 . 1 . . . . . . . . 4519 1 855 . 1 1 92 92 VAL HG12 H 1 0.825 0.016 . 1 . . . . . . . . 4519 1 856 . 1 1 92 92 VAL HG13 H 1 0.825 0.016 . 1 . . . . . . . . 4519 1 857 . 1 1 92 92 VAL HG21 H 1 0.720 0.017 . 1 . . . . . . . . 4519 1 858 . 1 1 92 92 VAL HG22 H 1 0.720 0.017 . 1 . . . . . . . . 4519 1 859 . 1 1 92 92 VAL HG23 H 1 0.720 0.017 . 1 . . . . . . . . 4519 1 860 . 1 1 92 92 VAL CG1 C 13 22.300 0.090 . 1 . . . . . . . . 4519 1 861 . 1 1 92 92 VAL CG2 C 13 18.593 0.000 . 1 . . . . . . . . 4519 1 862 . 1 1 92 92 VAL C C 13 174.399 0.010 . 1 . . . . . . . . 4519 1 863 . 1 1 93 93 GLY N N 15 109.002 0.137 . 1 . . . . . . . . 4519 1 864 . 1 1 93 93 GLY H H 1 9.760 0.019 . 1 . . . . . . . . 4519 1 865 . 1 1 93 93 GLY CA C 13 44.953 0.000 . 1 . . . . . . . . 4519 1 866 . 1 1 93 93 GLY HA2 H 1 4.745 0.000 . 2 . . . . . . . . 4519 1 867 . 1 1 93 93 GLY HA3 H 1 3.766 0.000 . 2 . . . . . . . . 4519 1 868 . 1 1 93 93 GLY C C 13 173.840 0.000 . 1 . . . . . . . . 4519 1 869 . 1 1 94 94 LEU N N 15 124.942 0.189 . 1 . . . . . . . . 4519 1 870 . 1 1 94 94 LEU H H 1 8.477 0.007 . 1 . . . . . . . . 4519 1 871 . 1 1 94 94 LEU CA C 13 55.210 0.249 . 1 . . . . . . . . 4519 1 872 . 1 1 94 94 LEU HA H 1 4.415 0.007 . 1 . . . . . . . . 4519 1 873 . 1 1 94 94 LEU CB C 13 41.288 0.090 . 1 . . . . . . . . 4519 1 874 . 1 1 94 94 LEU HB2 H 1 1.677 0.000 . 2 . . . . . . . . 4519 1 875 . 1 1 94 94 LEU HB3 H 1 1.592 0.051 . 2 . . . . . . . . 4519 1 876 . 1 1 94 94 LEU HG H 1 1.436 0.000 . 1 . . . . . . . . 4519 1 877 . 1 1 94 94 LEU HD11 H 1 0.776 0.016 . 1 . . . . . . . . 4519 1 878 . 1 1 94 94 LEU HD12 H 1 0.776 0.016 . 1 . . . . . . . . 4519 1 879 . 1 1 94 94 LEU HD13 H 1 0.776 0.016 . 1 . . . . . . . . 4519 1 880 . 1 1 94 94 LEU HD21 H 1 0.687 0.008 . 1 . . . . . . . . 4519 1 881 . 1 1 94 94 LEU HD22 H 1 0.687 0.008 . 1 . . . . . . . . 4519 1 882 . 1 1 94 94 LEU HD23 H 1 0.687 0.008 . 1 . . . . . . . . 4519 1 883 . 1 1 94 94 LEU CD1 C 13 25.213 0.000 . 1 . . . . . . . . 4519 1 884 . 1 1 94 94 LEU CD2 C 13 22.320 0.019 . 1 . . . . . . . . 4519 1 885 . 1 1 94 94 LEU C C 13 177.229 0.011 . 1 . . . . . . . . 4519 1 886 . 1 1 95 95 ARG N N 15 120.450 0.174 . 1 . . . . . . . . 4519 1 887 . 1 1 95 95 ARG H H 1 8.685 0.014 . 1 . . . . . . . . 4519 1 888 . 1 1 95 95 ARG CA C 13 55.757 0.000 . 1 . . . . . . . . 4519 1 889 . 1 1 95 95 ARG HA H 1 4.323 0.012 . 1 . . . . . . . . 4519 1 890 . 1 1 95 95 ARG C C 13 176.111 0.000 . 1 . . . . . . . . 4519 1 891 . 1 1 96 96 ASP CA C 13 55.422 1.053 . 1 . . . . . . . . 4519 1 892 . 1 1 96 96 ASP HA H 1 4.459 0.000 . 1 . . . . . . . . 4519 1 893 . 1 1 96 96 ASP CB C 13 41.347 0.076 . 1 . . . . . . . . 4519 1 894 . 1 1 96 96 ASP HB2 H 1 2.580 0.000 . 1 . . . . . . . . 4519 1 895 . 1 1 96 96 ASP HB3 H 1 2.580 0.000 . 1 . . . . . . . . 4519 1 896 . 1 1 96 96 ASP C C 13 176.755 0.000 . 1 . . . . . . . . 4519 1 897 . 1 1 97 97 TYR N N 15 117.848 0.142 . 1 . . . . . . . . 4519 1 898 . 1 1 97 97 TYR H H 1 8.068 0.019 . 1 . . . . . . . . 4519 1 899 . 1 1 97 97 TYR CA C 13 58.290 0.169 . 1 . . . . . . . . 4519 1 900 . 1 1 97 97 TYR HA H 1 4.494 0.000 . 1 . . . . . . . . 4519 1 901 . 1 1 97 97 TYR CB C 13 38.300 0.000 . 1 . . . . . . . . 4519 1 902 . 1 1 97 97 TYR HB2 H 1 3.188 0.008 . 2 . . . . . . . . 4519 1 903 . 1 1 97 97 TYR HB3 H 1 3.103 0.003 . 2 . . . . . . . . 4519 1 904 . 1 1 97 97 TYR HD1 H 1 7.176 0.008 . 1 . . . . . . . . 4519 1 905 . 1 1 97 97 TYR HD2 H 1 7.176 0.008 . 1 . . . . . . . . 4519 1 906 . 1 1 97 97 TYR HE1 H 1 6.809 0.000 . 1 . . . . . . . . 4519 1 907 . 1 1 97 97 TYR HE2 H 1 6.809 0.000 . 1 . . . . . . . . 4519 1 908 . 1 1 97 97 TYR C C 13 176.426 0.002 . 1 . . . . . . . . 4519 1 909 . 1 1 98 98 GLN N N 15 119.900 0.237 . 1 . . . . . . . . 4519 1 910 . 1 1 98 98 GLN H H 1 8.155 0.021 . 1 . . . . . . . . 4519 1 911 . 1 1 98 98 GLN CA C 13 54.918 0.000 . 1 . . . . . . . . 4519 1 912 . 1 1 98 98 GLN CB C 13 41.543 0.000 . 1 . . . . . . . . 4519 1 913 . 1 1 98 98 GLN C C 13 175.476 0.032 . 1 . . . . . . . . 4519 1 914 . 1 1 99 99 ASP CA C 13 54.759 0.247 . 1 . . . . . . . . 4519 1 915 . 1 1 99 99 ASP HA H 1 4.674 0.004 . 1 . . . . . . . . 4519 1 916 . 1 1 99 99 ASP CB C 13 41.523 0.019 . 1 . . . . . . . . 4519 1 917 . 1 1 99 99 ASP HB2 H 1 2.755 0.012 . 1 . . . . . . . . 4519 1 918 . 1 1 99 99 ASP HB3 H 1 2.755 0.012 . 1 . . . . . . . . 4519 1 919 . 1 1 99 99 ASP C C 13 176.064 0.000 . 1 . . . . . . . . 4519 1 920 . 1 1 100 100 ASN N N 15 115.800 0.169 . 1 . . . . . . . . 4519 1 921 . 1 1 100 100 ASN H H 1 8.500 0.017 . 1 . . . . . . . . 4519 1 922 . 1 1 100 100 ASN CA C 13 54.025 0.000 . 1 . . . . . . . . 4519 1 923 . 1 1 100 100 ASN HA H 1 4.750 0.012 . 1 . . . . . . . . 4519 1 924 . 1 1 100 100 ASN CB C 13 37.784 0.000 . 1 . . . . . . . . 4519 1 925 . 1 1 100 100 ASN HB2 H 1 3.105 0.000 . 2 . . . . . . . . 4519 1 926 . 1 1 100 100 ASN HB3 H 1 2.944 0.000 . 2 . . . . . . . . 4519 1 927 . 1 1 100 100 ASN ND2 N 15 112.246 0.020 . 1 . . . . . . . . 4519 1 928 . 1 1 100 100 ASN HD21 H 1 7.570 0.003 . 2 . . . . . . . . 4519 1 929 . 1 1 100 100 ASN HD22 H 1 6.880 0.003 . 2 . . . . . . . . 4519 1 930 . 1 1 100 100 ASN C C 13 174.418 0.000 . 1 . . . . . . . . 4519 1 931 . 1 1 101 101 LYS N N 15 118.946 0.181 . 1 . . . . . . . . 4519 1 932 . 1 1 101 101 LYS H H 1 7.771 0.013 . 1 . . . . . . . . 4519 1 933 . 1 1 101 101 LYS CA C 13 55.126 0.000 . 1 . . . . . . . . 4519 1 934 . 1 1 101 101 LYS HA H 1 5.476 0.001 . 1 . . . . . . . . 4519 1 935 . 1 1 101 101 LYS CB C 13 36.600 0.000 . 1 . . . . . . . . 4519 1 936 . 1 1 101 101 LYS HB2 H 1 1.669 0.011 . 1 . . . . . . . . 4519 1 937 . 1 1 101 101 LYS HB3 H 1 1.669 0.011 . 1 . . . . . . . . 4519 1 938 . 1 1 101 101 LYS CG C 13 25.397 0.000 . 1 . . . . . . . . 4519 1 939 . 1 1 101 101 LYS HG2 H 1 1.517 0.000 . 2 . . . . . . . . 4519 1 940 . 1 1 101 101 LYS HG3 H 1 1.406 0.000 . 2 . . . . . . . . 4519 1 941 . 1 1 101 101 LYS CD C 13 29.342 0.000 . 1 . . . . . . . . 4519 1 942 . 1 1 101 101 LYS HD2 H 1 1.733 0.016 . 1 . . . . . . . . 4519 1 943 . 1 1 101 101 LYS HD3 H 1 1.733 0.016 . 1 . . . . . . . . 4519 1 944 . 1 1 101 101 LYS HE2 H 1 2.971 0.017 . 1 . . . . . . . . 4519 1 945 . 1 1 101 101 LYS HE3 H 1 2.971 0.017 . 1 . . . . . . . . 4519 1 946 . 1 1 101 101 LYS C C 13 175.102 0.000 . 1 . . . . . . . . 4519 1 947 . 1 1 102 102 ALA N N 15 120.237 0.216 . 1 . . . . . . . . 4519 1 948 . 1 1 102 102 ALA H H 1 8.352 0.021 . 1 . . . . . . . . 4519 1 949 . 1 1 102 102 ALA CA C 13 51.238 0.000 . 1 . . . . . . . . 4519 1 950 . 1 1 102 102 ALA HA H 1 4.904 0.014 . 1 . . . . . . . . 4519 1 951 . 1 1 102 102 ALA HB1 H 1 1.327 0.012 . 1 . . . . . . . . 4519 1 952 . 1 1 102 102 ALA HB2 H 1 1.327 0.012 . 1 . . . . . . . . 4519 1 953 . 1 1 102 102 ALA HB3 H 1 1.327 0.012 . 1 . . . . . . . . 4519 1 954 . 1 1 102 102 ALA CB C 13 23.700 0.033 . 1 . . . . . . . . 4519 1 955 . 1 1 102 102 ALA C C 13 175.639 0.024 . 1 . . . . . . . . 4519 1 956 . 1 1 103 103 ASP N N 15 119.764 0.172 . 1 . . . . . . . . 4519 1 957 . 1 1 103 103 ASP H H 1 8.941 0.008 . 1 . . . . . . . . 4519 1 958 . 1 1 103 103 ASP CA C 13 53.512 0.270 . 1 . . . . . . . . 4519 1 959 . 1 1 103 103 ASP HA H 1 5.588 0.014 . 1 . . . . . . . . 4519 1 960 . 1 1 103 103 ASP CB C 13 43.840 0.000 . 1 . . . . . . . . 4519 1 961 . 1 1 103 103 ASP HB2 H 1 2.639 0.002 . 2 . . . . . . . . 4519 1 962 . 1 1 103 103 ASP HB3 H 1 2.546 0.008 . 2 . . . . . . . . 4519 1 963 . 1 1 103 103 ASP C C 13 176.275 0.021 . 1 . . . . . . . . 4519 1 964 . 1 1 104 104 VAL N N 15 122.179 0.178 . 1 . . . . . . . . 4519 1 965 . 1 1 104 104 VAL H H 1 8.980 0.017 . 1 . . . . . . . . 4519 1 966 . 1 1 104 104 VAL CA C 13 64.919 0.130 . 1 . . . . . . . . 4519 1 967 . 1 1 104 104 VAL HA H 1 3.879 0.023 . 1 . . . . . . . . 4519 1 968 . 1 1 104 104 VAL HB H 1 1.985 0.000 . 1 . . . . . . . . 4519 1 969 . 1 1 104 104 VAL HG11 H 1 0.758 0.006 . 1 . . . . . . . . 4519 1 970 . 1 1 104 104 VAL HG12 H 1 0.758 0.006 . 1 . . . . . . . . 4519 1 971 . 1 1 104 104 VAL HG13 H 1 0.758 0.006 . 1 . . . . . . . . 4519 1 972 . 1 1 104 104 VAL HG21 H 1 0.752 0.006 . 1 . . . . . . . . 4519 1 973 . 1 1 104 104 VAL HG22 H 1 0.752 0.006 . 1 . . . . . . . . 4519 1 974 . 1 1 104 104 VAL HG23 H 1 0.752 0.006 . 1 . . . . . . . . 4519 1 975 . 1 1 104 104 VAL CG1 C 13 21.505 0.063 . 1 . . . . . . . . 4519 1 976 . 1 1 104 104 VAL CG2 C 13 23.231 0.068 . 1 . . . . . . . . 4519 1 977 . 1 1 104 104 VAL C C 13 175.038 0.000 . 1 . . . . . . . . 4519 1 978 . 1 1 105 105 ILE N N 15 127.634 0.111 . 1 . . . . . . . . 4519 1 979 . 1 1 105 105 ILE H H 1 9.283 0.006 . 1 . . . . . . . . 4519 1 980 . 1 1 105 105 ILE CA C 13 62.648 0.167 . 1 . . . . . . . . 4519 1 981 . 1 1 105 105 ILE HA H 1 4.126 0.007 . 1 . . . . . . . . 4519 1 982 . 1 1 105 105 ILE CB C 13 39.030 0.000 . 1 . . . . . . . . 4519 1 983 . 1 1 105 105 ILE HB H 1 1.492 0.003 . 1 . . . . . . . . 4519 1 984 . 1 1 105 105 ILE HG21 H 1 0.869 0.032 . 1 . . . . . . . . 4519 1 985 . 1 1 105 105 ILE HG22 H 1 0.869 0.032 . 1 . . . . . . . . 4519 1 986 . 1 1 105 105 ILE HG23 H 1 0.869 0.032 . 1 . . . . . . . . 4519 1 987 . 1 1 105 105 ILE CG2 C 13 17.187 0.028 . 1 . . . . . . . . 4519 1 988 . 1 1 105 105 ILE HG12 H 1 1.528 0.016 . 2 . . . . . . . . 4519 1 989 . 1 1 105 105 ILE HG13 H 1 1.156 0.013 . 2 . . . . . . . . 4519 1 990 . 1 1 105 105 ILE HD11 H 1 0.728 0.032 . 1 . . . . . . . . 4519 1 991 . 1 1 105 105 ILE HD12 H 1 0.728 0.032 . 1 . . . . . . . . 4519 1 992 . 1 1 105 105 ILE HD13 H 1 0.728 0.032 . 1 . . . . . . . . 4519 1 993 . 1 1 105 105 ILE CD1 C 13 12.220 0.000 . 1 . . . . . . . . 4519 1 994 . 1 1 105 105 ILE C C 13 175.508 0.000 . 1 . . . . . . . . 4519 1 995 . 1 1 106 106 LEU N N 15 114.215 0.163 . 1 . . . . . . . . 4519 1 996 . 1 1 106 106 LEU H H 1 7.495 0.008 . 1 . . . . . . . . 4519 1 997 . 1 1 106 106 LEU CA C 13 54.835 0.000 . 1 . . . . . . . . 4519 1 998 . 1 1 106 106 LEU HA H 1 4.396 0.012 . 1 . . . . . . . . 4519 1 999 . 1 1 106 106 LEU CB C 13 44.461 0.000 . 1 . . . . . . . . 4519 1 1000 . 1 1 106 106 LEU HB2 H 1 1.770 0.004 . 2 . . . . . . . . 4519 1 1001 . 1 1 106 106 LEU HB3 H 1 1.478 0.004 . 2 . . . . . . . . 4519 1 1002 . 1 1 106 106 LEU CG C 13 25.900 0.198 . 1 . . . . . . . . 4519 1 1003 . 1 1 106 106 LEU HG H 1 1.316 0.011 . 1 . . . . . . . . 4519 1 1004 . 1 1 106 106 LEU CD1 C 13 23.568 0.000 . 1 . . . . . . . . 4519 1 1005 . 1 1 106 106 LEU CD2 C 13 26.669 0.109 . 1 . . . . . . . . 4519 1 1006 . 1 1 106 106 LEU HD11 H 1 0.180 0.010 . 1 . . . . . . . . 4519 1 1007 . 1 1 106 106 LEU HD12 H 1 0.180 0.010 . 1 . . . . . . . . 4519 1 1008 . 1 1 106 106 LEU HD13 H 1 0.180 0.010 . 1 . . . . . . . . 4519 1 1009 . 1 1 106 106 LEU HD21 H 1 0.561 0.007 . 1 . . . . . . . . 4519 1 1010 . 1 1 106 106 LEU HD22 H 1 0.561 0.007 . 1 . . . . . . . . 4519 1 1011 . 1 1 106 106 LEU HD23 H 1 0.561 0.007 . 1 . . . . . . . . 4519 1 1012 . 1 1 106 106 LEU C C 13 173.541 0.021 . 1 . . . . . . . . 4519 1 1013 . 1 1 107 107 LYS N N 15 122.245 0.200 . 1 . . . . . . . . 4519 1 1014 . 1 1 107 107 LYS H H 1 8.527 0.016 . 1 . . . . . . . . 4519 1 1015 . 1 1 107 107 LYS CA C 13 54.624 0.239 . 1 . . . . . . . . 4519 1 1016 . 1 1 107 107 LYS HA H 1 4.774 0.008 . 1 . . . . . . . . 4519 1 1017 . 1 1 107 107 LYS CB C 13 35.868 0.000 . 1 . . . . . . . . 4519 1 1018 . 1 1 107 107 LYS CD C 13 29.801 0.000 . 1 . . . . . . . . 4519 1 1019 . 1 1 107 107 LYS C C 13 175.339 0.003 . 1 . . . . . . . . 4519 1 1020 . 1 1 108 108 TYR N N 15 128.549 0.125 . 1 . . . . . . . . 4519 1 1021 . 1 1 108 108 TYR H H 1 8.808 0.014 . 1 . . . . . . . . 4519 1 1022 . 1 1 108 108 TYR CA C 13 58.695 0.221 . 1 . . . . . . . . 4519 1 1023 . 1 1 108 108 TYR HA H 1 4.600 0.032 . 1 . . . . . . . . 4519 1 1024 . 1 1 108 108 TYR CB C 13 38.793 0.000 . 1 . . . . . . . . 4519 1 1025 . 1 1 108 108 TYR HB2 H 1 3.060 0.004 . 2 . . . . . . . . 4519 1 1026 . 1 1 108 108 TYR HB3 H 1 2.616 0.003 . 2 . . . . . . . . 4519 1 1027 . 1 1 108 108 TYR HD1 H 1 6.838 0.007 . 1 . . . . . . . . 4519 1 1028 . 1 1 108 108 TYR HD2 H 1 6.838 0.007 . 1 . . . . . . . . 4519 1 1029 . 1 1 108 108 TYR HE1 H 1 7.140 0.007 . 1 . . . . . . . . 4519 1 1030 . 1 1 108 108 TYR HE2 H 1 7.140 0.007 . 1 . . . . . . . . 4519 1 1031 . 1 1 108 108 TYR C C 13 176.326 0.012 . 1 . . . . . . . . 4519 1 1032 . 1 1 109 109 ASN N N 15 121.377 0.170 . 1 . . . . . . . . 4519 1 1033 . 1 1 109 109 ASN H H 1 9.334 0.013 . 1 . . . . . . . . 4519 1 1034 . 1 1 109 109 ASN CA C 13 51.601 0.160 . 1 . . . . . . . . 4519 1 1035 . 1 1 109 109 ASN HA H 1 4.964 0.013 . 1 . . . . . . . . 4519 1 1036 . 1 1 109 109 ASN CB C 13 38.868 0.000 . 1 . . . . . . . . 4519 1 1037 . 1 1 109 109 ASN HB2 H 1 3.349 0.004 . 2 . . . . . . . . 4519 1 1038 . 1 1 109 109 ASN HB3 H 1 2.998 0.005 . 2 . . . . . . . . 4519 1 1039 . 1 1 109 109 ASN ND2 N 15 112.670 0.000 . 1 . . . . . . . . 4519 1 1040 . 1 1 109 109 ASN HD21 H 1 7.615 0.000 . 2 . . . . . . . . 4519 1 1041 . 1 1 109 109 ASN HD22 H 1 7.087 0.000 . 2 . . . . . . . . 4519 1 1042 . 1 1 109 109 ASN C C 13 175.746 0.001 . 1 . . . . . . . . 4519 1 1043 . 1 1 110 110 ALA N N 15 121.929 0.184 . 1 . . . . . . . . 4519 1 1044 . 1 1 110 110 ALA H H 1 9.027 0.016 . 1 . . . . . . . . 4519 1 1045 . 1 1 110 110 ALA CA C 13 56.255 0.207 . 1 . . . . . . . . 4519 1 1046 . 1 1 110 110 ALA HA H 1 4.087 0.011 . 1 . . . . . . . . 4519 1 1047 . 1 1 110 110 ALA HB1 H 1 1.449 0.017 . 1 . . . . . . . . 4519 1 1048 . 1 1 110 110 ALA HB2 H 1 1.449 0.017 . 1 . . . . . . . . 4519 1 1049 . 1 1 110 110 ALA HB3 H 1 1.449 0.017 . 1 . . . . . . . . 4519 1 1050 . 1 1 110 110 ALA CB C 13 18.536 0.080 . 1 . . . . . . . . 4519 1 1051 . 1 1 110 110 ALA C C 13 175.812 4.058 . 1 . . . . . . . . 4519 1 1052 . 1 1 111 111 ASP N N 15 117.107 0.168 . 1 . . . . . . . . 4519 1 1053 . 1 1 111 111 ASP H H 1 8.267 0.008 . 1 . . . . . . . . 4519 1 1054 . 1 1 111 111 ASP CA C 13 54.554 1.914 . 1 . . . . . . . . 4519 1 1055 . 1 1 111 111 ASP HA H 1 4.362 0.005 . 1 . . . . . . . . 4519 1 1056 . 1 1 111 111 ASP CB C 13 39.240 0.000 . 1 . . . . . . . . 4519 1 1057 . 1 1 111 111 ASP HB2 H 1 2.745 0.012 . 1 . . . . . . . . 4519 1 1058 . 1 1 111 111 ASP HB3 H 1 2.745 0.012 . 1 . . . . . . . . 4519 1 1059 . 1 1 111 111 ASP C C 13 179.614 0.000 . 1 . . . . . . . . 4519 1 1060 . 1 1 112 112 GLU N N 15 122.113 0.206 . 1 . . . . . . . . 4519 1 1061 . 1 1 112 112 GLU H H 1 8.378 0.015 . 1 . . . . . . . . 4519 1 1062 . 1 1 112 112 GLU CA C 13 58.928 0.199 . 1 . . . . . . . . 4519 1 1063 . 1 1 112 112 GLU HA H 1 3.970 0.008 . 1 . . . . . . . . 4519 1 1064 . 1 1 112 112 GLU CB C 13 30.751 0.000 . 1 . . . . . . . . 4519 1 1065 . 1 1 112 112 GLU HB2 H 1 2.023 0.007 . 1 . . . . . . . . 4519 1 1066 . 1 1 112 112 GLU HB3 H 1 2.023 0.007 . 1 . . . . . . . . 4519 1 1067 . 1 1 112 112 GLU CG C 13 36.815 0.000 . 1 . . . . . . . . 4519 1 1068 . 1 1 112 112 GLU HG2 H 1 2.727 0.007 . 2 . . . . . . . . 4519 1 1069 . 1 1 112 112 GLU HG3 H 1 2.293 0.004 . 2 . . . . . . . . 4519 1 1070 . 1 1 112 112 GLU C C 13 178.648 0.003 . 1 . . . . . . . . 4519 1 1071 . 1 1 113 113 ALA N N 15 121.589 0.154 . 1 . . . . . . . . 4519 1 1072 . 1 1 113 113 ALA H H 1 8.851 0.015 . 1 . . . . . . . . 4519 1 1073 . 1 1 113 113 ALA CA C 13 55.124 0.000 . 1 . . . . . . . . 4519 1 1074 . 1 1 113 113 ALA HA H 1 3.654 0.009 . 1 . . . . . . . . 4519 1 1075 . 1 1 113 113 ALA HB1 H 1 1.382 0.012 . 1 . . . . . . . . 4519 1 1076 . 1 1 113 113 ALA HB2 H 1 1.382 0.012 . 1 . . . . . . . . 4519 1 1077 . 1 1 113 113 ALA HB3 H 1 1.382 0.012 . 1 . . . . . . . . 4519 1 1078 . 1 1 113 113 ALA CB C 13 17.742 0.102 . 1 . . . . . . . . 4519 1 1079 . 1 1 113 113 ALA C C 13 179.460 0.025 . 1 . . . . . . . . 4519 1 1080 . 1 1 114 114 ARG N N 15 117.501 0.098 . 1 . . . . . . . . 4519 1 1081 . 1 1 114 114 ARG H H 1 8.237 0.010 . 1 . . . . . . . . 4519 1 1082 . 1 1 114 114 ARG CA C 13 60.835 0.000 . 1 . . . . . . . . 4519 1 1083 . 1 1 114 114 ARG HA H 1 3.726 0.052 . 1 . . . . . . . . 4519 1 1084 . 1 1 114 114 ARG CB C 13 30.535 0.000 . 1 . . . . . . . . 4519 1 1085 . 1 1 114 114 ARG HB2 H 1 2.078 0.004 . 2 . . . . . . . . 4519 1 1086 . 1 1 114 114 ARG HB3 H 1 1.859 0.007 . 2 . . . . . . . . 4519 1 1087 . 1 1 114 114 ARG CG C 13 29.590 0.071 . 1 . . . . . . . . 4519 1 1088 . 1 1 114 114 ARG HG2 H 1 1.927 0.002 . 2 . . . . . . . . 4519 1 1089 . 1 1 114 114 ARG HG3 H 1 1.594 0.005 . 2 . . . . . . . . 4519 1 1090 . 1 1 114 114 ARG CD C 13 43.577 0.000 . 1 . . . . . . . . 4519 1 1091 . 1 1 114 114 ARG HD2 H 1 3.347 0.011 . 2 . . . . . . . . 4519 1 1092 . 1 1 114 114 ARG HD3 H 1 3.205 0.016 . 2 . . . . . . . . 4519 1 1093 . 1 1 114 114 ARG C C 13 180.436 0.011 . 1 . . . . . . . . 4519 1 1094 . 1 1 115 115 SER N N 15 119.037 0.164 . 1 . . . . . . . . 4519 1 1095 . 1 1 115 115 SER H H 1 8.051 0.014 . 1 . . . . . . . . 4519 1 1096 . 1 1 115 115 SER CA C 13 62.898 0.236 . 1 . . . . . . . . 4519 1 1097 . 1 1 115 115 SER HA H 1 4.164 0.008 . 1 . . . . . . . . 4519 1 1098 . 1 1 115 115 SER CB C 13 62.622 0.123 . 1 . . . . . . . . 4519 1 1099 . 1 1 115 115 SER HB2 H 1 3.820 0.014 . 1 . . . . . . . . 4519 1 1100 . 1 1 115 115 SER HB3 H 1 3.820 0.014 . 1 . . . . . . . . 4519 1 1101 . 1 1 115 115 SER C C 13 175.615 0.000 . 1 . . . . . . . . 4519 1 1102 . 1 1 116 116 LEU N N 15 121.487 0.194 . 1 . . . . . . . . 4519 1 1103 . 1 1 116 116 LEU H H 1 8.551 0.014 . 1 . . . . . . . . 4519 1 1104 . 1 1 116 116 LEU CA C 13 58.329 0.144 . 1 . . . . . . . . 4519 1 1105 . 1 1 116 116 LEU HA H 1 3.744 0.011 . 1 . . . . . . . . 4519 1 1106 . 1 1 116 116 LEU CB C 13 41.454 0.000 . 1 . . . . . . . . 4519 1 1107 . 1 1 116 116 LEU HB2 H 1 1.773 0.003 . 2 . . . . . . . . 4519 1 1108 . 1 1 116 116 LEU HB3 H 1 0.601 0.012 . 2 . . . . . . . . 4519 1 1109 . 1 1 116 116 LEU CG C 13 26.055 0.000 . 1 . . . . . . . . 4519 1 1110 . 1 1 116 116 LEU HG H 1 1.369 0.012 . 1 . . . . . . . . 4519 1 1111 . 1 1 116 116 LEU HD11 H 1 -0.494 0.012 . 1 . . . . . . . . 4519 1 1112 . 1 1 116 116 LEU HD12 H 1 -0.494 0.012 . 1 . . . . . . . . 4519 1 1113 . 1 1 116 116 LEU HD13 H 1 -0.494 0.012 . 1 . . . . . . . . 4519 1 1114 . 1 1 116 116 LEU HD21 H 1 0.357 0.014 . 1 . . . . . . . . 4519 1 1115 . 1 1 116 116 LEU HD22 H 1 0.357 0.014 . 1 . . . . . . . . 4519 1 1116 . 1 1 116 116 LEU HD23 H 1 0.357 0.014 . 1 . . . . . . . . 4519 1 1117 . 1 1 116 116 LEU CD1 C 13 23.832 0.066 . 1 . . . . . . . . 4519 1 1118 . 1 1 116 116 LEU CD2 C 13 22.009 0.014 . 1 . . . . . . . . 4519 1 1119 . 1 1 116 116 LEU C C 13 180.465 0.003 . 1 . . . . . . . . 4519 1 1120 . 1 1 117 117 LYS N N 15 119.179 0.170 . 1 . . . . . . . . 4519 1 1121 . 1 1 117 117 LYS H H 1 7.855 0.012 . 1 . . . . . . . . 4519 1 1122 . 1 1 117 117 LYS CA C 13 60.015 0.149 . 1 . . . . . . . . 4519 1 1123 . 1 1 117 117 LYS HA H 1 3.953 0.004 . 1 . . . . . . . . 4519 1 1124 . 1 1 117 117 LYS CB C 13 32.464 0.000 . 1 . . . . . . . . 4519 1 1125 . 1 1 117 117 LYS HB2 H 1 1.855 0.003 . 2 . . . . . . . . 4519 1 1126 . 1 1 117 117 LYS HB3 H 1 1.629 0.000 . 2 . . . . . . . . 4519 1 1127 . 1 1 117 117 LYS CG C 13 25.213 0.000 . 1 . . . . . . . . 4519 1 1128 . 1 1 117 117 LYS HG2 H 1 1.337 0.010 . 2 . . . . . . . . 4519 1 1129 . 1 1 117 117 LYS HG3 H 1 1.178 0.003 . 2 . . . . . . . . 4519 1 1130 . 1 1 117 117 LYS CD C 13 29.434 0.000 . 1 . . . . . . . . 4519 1 1131 . 1 1 117 117 LYS CE C 13 42.126 0.000 . 1 . . . . . . . . 4519 1 1132 . 1 1 117 117 LYS HE2 H 1 3.032 0.015 . 2 . . . . . . . . 4519 1 1133 . 1 1 117 117 LYS HE3 H 1 2.929 0.013 . 2 . . . . . . . . 4519 1 1134 . 1 1 117 117 LYS C C 13 179.732 0.054 . 1 . . . . . . . . 4519 1 1135 . 1 1 118 118 ALA N N 15 125.383 0.209 . 1 . . . . . . . . 4519 1 1136 . 1 1 118 118 ALA H H 1 8.056 0.015 . 1 . . . . . . . . 4519 1 1137 . 1 1 118 118 ALA CA C 13 55.124 0.000 . 1 . . . . . . . . 4519 1 1138 . 1 1 118 118 ALA HA H 1 4.106 0.011 . 1 . . . . . . . . 4519 1 1139 . 1 1 118 118 ALA HB1 H 1 1.413 0.010 . 1 . . . . . . . . 4519 1 1140 . 1 1 118 118 ALA HB2 H 1 1.413 0.010 . 1 . . . . . . . . 4519 1 1141 . 1 1 118 118 ALA HB3 H 1 1.413 0.010 . 1 . . . . . . . . 4519 1 1142 . 1 1 118 118 ALA CB C 13 17.505 0.000 . 1 . . . . . . . . 4519 1 1143 . 1 1 118 118 ALA C C 13 180.255 0.000 . 1 . . . . . . . . 4519 1 1144 . 1 1 119 119 TYR N N 15 114.581 0.167 . 1 . . . . . . . . 4519 1 1145 . 1 1 119 119 TYR H H 1 8.138 0.007 . 1 . . . . . . . . 4519 1 1146 . 1 1 119 119 TYR CA C 13 58.270 0.215 . 1 . . . . . . . . 4519 1 1147 . 1 1 119 119 TYR HA H 1 4.656 0.010 . 1 . . . . . . . . 4519 1 1148 . 1 1 119 119 TYR CB C 13 39.160 0.000 . 1 . . . . . . . . 4519 1 1149 . 1 1 119 119 TYR HB2 H 1 3.532 0.000 . 2 . . . . . . . . 4519 1 1150 . 1 1 119 119 TYR HB3 H 1 2.835 0.000 . 2 . . . . . . . . 4519 1 1151 . 1 1 119 119 TYR HD1 H 1 7.207 0.003 . 1 . . . . . . . . 4519 1 1152 . 1 1 119 119 TYR HD2 H 1 7.207 0.003 . 1 . . . . . . . . 4519 1 1153 . 1 1 119 119 TYR HE1 H 1 6.878 0.010 . 1 . . . . . . . . 4519 1 1154 . 1 1 119 119 TYR HE2 H 1 6.878 0.010 . 1 . . . . . . . . 4519 1 1155 . 1 1 119 119 TYR C C 13 176.759 0.011 . 1 . . . . . . . . 4519 1 1156 . 1 1 120 120 GLY N N 15 108.424 0.172 . 1 . . . . . . . . 4519 1 1157 . 1 1 120 120 GLY H H 1 8.004 0.016 . 1 . . . . . . . . 4519 1 1158 . 1 1 120 120 GLY CA C 13 45.675 0.000 . 1 . . . . . . . . 4519 1 1159 . 1 1 120 120 GLY HA2 H 1 4.260 0.008 . 2 . . . . . . . . 4519 1 1160 . 1 1 120 120 GLY HA3 H 1 3.920 0.008 . 2 . . . . . . . . 4519 1 1161 . 1 1 120 120 GLY C C 13 174.952 0.021 . 1 . . . . . . . . 4519 1 1162 . 1 1 121 121 GLU N N 15 118.030 0.167 . 1 . . . . . . . . 4519 1 1163 . 1 1 121 121 GLU H H 1 7.965 0.008 . 1 . . . . . . . . 4519 1 1164 . 1 1 121 121 GLU CA C 13 57.119 0.183 . 1 . . . . . . . . 4519 1 1165 . 1 1 121 121 GLU HA H 1 3.947 0.003 . 1 . . . . . . . . 4519 1 1166 . 1 1 121 121 GLU CB C 13 30.762 0.000 . 1 . . . . . . . . 4519 1 1167 . 1 1 121 121 GLU HB2 H 1 2.097 0.000 . 2 . . . . . . . . 4519 1 1168 . 1 1 121 121 GLU HB3 H 1 1.844 0.000 . 2 . . . . . . . . 4519 1 1169 . 1 1 121 121 GLU CG C 13 36.408 0.000 . 1 . . . . . . . . 4519 1 1170 . 1 1 121 121 GLU HG2 H 1 1.980 0.000 . 2 . . . . . . . . 4519 1 1171 . 1 1 121 121 GLU HG3 H 1 1.580 0.000 . 2 . . . . . . . . 4519 1 1172 . 1 1 121 121 GLU C C 13 176.021 0.021 . 1 . . . . . . . . 4519 1 1173 . 1 1 122 122 LEU N N 15 113.504 0.181 . 1 . . . . . . . . 4519 1 1174 . 1 1 122 122 LEU H H 1 6.277 0.015 . 1 . . . . . . . . 4519 1 1175 . 1 1 122 122 LEU CA C 13 49.669 0.055 . 1 . . . . . . . . 4519 1 1176 . 1 1 122 122 LEU HA H 1 4.279 0.010 . 1 . . . . . . . . 4519 1 1177 . 1 1 122 122 LEU CB C 13 43.900 0.000 . 1 . . . . . . . . 4519 1 1178 . 1 1 122 122 LEU HB2 H 1 0.748 0.000 . 2 . . . . . . . . 4519 1 1179 . 1 1 122 122 LEU HB3 H 1 0.648 0.009 . 2 . . . . . . . . 4519 1 1180 . 1 1 122 122 LEU CG C 13 26.749 0.000 . 1 . . . . . . . . 4519 1 1181 . 1 1 122 122 LEU HG H 1 0.761 0.022 . 1 . . . . . . . . 4519 1 1182 . 1 1 122 122 LEU HD11 H 1 0.414 0.013 . 1 . . . . . . . . 4519 1 1183 . 1 1 122 122 LEU HD12 H 1 0.414 0.013 . 1 . . . . . . . . 4519 1 1184 . 1 1 122 122 LEU HD13 H 1 0.414 0.013 . 1 . . . . . . . . 4519 1 1185 . 1 1 122 122 LEU HD21 H 1 -0.035 0.011 . 1 . . . . . . . . 4519 1 1186 . 1 1 122 122 LEU HD22 H 1 -0.035 0.011 . 1 . . . . . . . . 4519 1 1187 . 1 1 122 122 LEU HD23 H 1 -0.035 0.011 . 1 . . . . . . . . 4519 1 1188 . 1 1 122 122 LEU CD1 C 13 26.055 0.000 . 1 . . . . . . . . 4519 1 1189 . 1 1 122 122 LEU CD2 C 13 22.631 0.092 . 1 . . . . . . . . 4519 1 1190 . 1 1 122 122 LEU C C 13 177.262 0.000 . 1 . . . . . . . . 4519 1 1191 . 1 1 123 123 PRO CD C 13 49.978 0.017 . 1 . . . . . . . . 4519 1 1192 . 1 1 123 123 PRO CA C 13 61.825 0.121 . 1 . . . . . . . . 4519 1 1193 . 1 1 123 123 PRO HA H 1 4.401 0.007 . 1 . . . . . . . . 4519 1 1194 . 1 1 123 123 PRO CB C 13 32.836 0.019 . 1 . . . . . . . . 4519 1 1195 . 1 1 123 123 PRO HB2 H 1 2.261 0.012 . 2 . . . . . . . . 4519 1 1196 . 1 1 123 123 PRO HB3 H 1 1.557 0.010 . 2 . . . . . . . . 4519 1 1197 . 1 1 123 123 PRO CG C 13 27.329 0.000 . 1 . . . . . . . . 4519 1 1198 . 1 1 123 123 PRO HG2 H 1 2.097 0.012 . 2 . . . . . . . . 4519 1 1199 . 1 1 123 123 PRO HG3 H 1 1.382 0.007 . 2 . . . . . . . . 4519 1 1200 . 1 1 123 123 PRO HD2 H 1 3.498 0.007 . 2 . . . . . . . . 4519 1 1201 . 1 1 123 123 PRO HD3 H 1 2.597 0.009 . 2 . . . . . . . . 4519 1 1202 . 1 1 123 123 PRO C C 13 177.104 0.000 . 1 . . . . . . . . 4519 1 1203 . 1 1 124 124 GLU N N 15 119.650 0.151 . 1 . . . . . . . . 4519 1 1204 . 1 1 124 124 GLU H H 1 8.657 0.008 . 1 . . . . . . . . 4519 1 1205 . 1 1 124 124 GLU CA C 13 59.010 0.000 . 1 . . . . . . . . 4519 1 1206 . 1 1 124 124 GLU HA H 1 3.815 0.004 . 1 . . . . . . . . 4519 1 1207 . 1 1 124 124 GLU CB C 13 29.676 0.052 . 1 . . . . . . . . 4519 1 1208 . 1 1 124 124 GLU HB2 H 1 2.094 0.007 . 2 . . . . . . . . 4519 1 1209 . 1 1 124 124 GLU HB3 H 1 2.009 0.007 . 2 . . . . . . . . 4519 1 1210 . 1 1 124 124 GLU CG C 13 35.916 0.000 . 1 . . . . . . . . 4519 1 1211 . 1 1 124 124 GLU HG2 H 1 2.301 0.020 . 1 . . . . . . . . 4519 1 1212 . 1 1 124 124 GLU HG3 H 1 2.301 0.020 . 1 . . . . . . . . 4519 1 1213 . 1 1 124 124 GLU C C 13 177.052 0.000 . 1 . . . . . . . . 4519 1 1214 . 1 1 125 125 HIS N N 15 111.007 0.207 . 1 . . . . . . . . 4519 1 1215 . 1 1 125 125 HIS H H 1 7.290 0.006 . 1 . . . . . . . . 4519 1 1216 . 1 1 125 125 HIS CA C 13 56.005 0.000 . 1 . . . . . . . . 4519 1 1217 . 1 1 125 125 HIS HA H 1 4.568 0.008 . 1 . . . . . . . . 4519 1 1218 . 1 1 125 125 HIS CB C 13 30.275 0.000 . 1 . . . . . . . . 4519 1 1219 . 1 1 125 125 HIS HB2 H 1 3.352 0.000 . 2 . . . . . . . . 4519 1 1220 . 1 1 125 125 HIS HB3 H 1 3.043 0.000 . 2 . . . . . . . . 4519 1 1221 . 1 1 125 125 HIS HD2 H 1 7.210 0.000 . 1 . . . . . . . . 4519 1 1222 . 1 1 125 125 HIS HE1 H 1 7.900 0.000 . 1 . . . . . . . . 4519 1 1223 . 1 1 125 125 HIS C C 13 175.975 0.018 . 1 . . . . . . . . 4519 1 1224 . 1 1 126 126 ALA N N 15 124.153 0.181 . 1 . . . . . . . . 4519 1 1225 . 1 1 126 126 ALA H H 1 7.207 0.008 . 1 . . . . . . . . 4519 1 1226 . 1 1 126 126 ALA CA C 13 52.637 0.000 . 1 . . . . . . . . 4519 1 1227 . 1 1 126 126 ALA HA H 1 4.257 0.009 . 1 . . . . . . . . 4519 1 1228 . 1 1 126 126 ALA HB1 H 1 0.999 0.009 . 1 . . . . . . . . 4519 1 1229 . 1 1 126 126 ALA HB2 H 1 0.999 0.009 . 1 . . . . . . . . 4519 1 1230 . 1 1 126 126 ALA HB3 H 1 0.999 0.009 . 1 . . . . . . . . 4519 1 1231 . 1 1 126 126 ALA CB C 13 18.402 0.050 . 1 . . . . . . . . 4519 1 1232 . 1 1 126 126 ALA C C 13 176.465 0.015 . 1 . . . . . . . . 4519 1 1233 . 1 1 127 127 LYS N N 15 127.367 0.159 . 1 . . . . . . . . 4519 1 1234 . 1 1 127 127 LYS H H 1 9.238 0.010 . 1 . . . . . . . . 4519 1 1235 . 1 1 127 127 LYS CA C 13 55.445 0.254 . 1 . . . . . . . . 4519 1 1236 . 1 1 127 127 LYS HA H 1 4.424 0.010 . 1 . . . . . . . . 4519 1 1237 . 1 1 127 127 LYS CB C 13 32.304 0.000 . 1 . . . . . . . . 4519 1 1238 . 1 1 127 127 LYS HB2 H 1 1.827 0.036 . 1 . . . . . . . . 4519 1 1239 . 1 1 127 127 LYS HB3 H 1 1.827 0.036 . 1 . . . . . . . . 4519 1 1240 . 1 1 127 127 LYS CG C 13 24.597 0.000 . 1 . . . . . . . . 4519 1 1241 . 1 1 127 127 LYS HE2 H 1 3.074 0.000 . 1 . . . . . . . . 4519 1 1242 . 1 1 127 127 LYS HE3 H 1 3.074 0.000 . 1 . . . . . . . . 4519 1 1243 . 1 1 127 127 LYS C C 13 175.828 0.000 . 1 . . . . . . . . 4519 1 1244 . 1 1 128 128 ILE N N 15 124.286 0.219 . 1 . . . . . . . . 4519 1 1245 . 1 1 128 128 ILE H H 1 8.289 0.012 . 1 . . . . . . . . 4519 1 1246 . 1 1 128 128 ILE CA C 13 59.477 0.000 . 1 . . . . . . . . 4519 1 1247 . 1 1 128 128 ILE HA H 1 4.316 0.017 . 1 . . . . . . . . 4519 1 1248 . 1 1 128 128 ILE CB C 13 38.661 0.045 . 1 . . . . . . . . 4519 1 1249 . 1 1 128 128 ILE HB H 1 1.858 0.015 . 1 . . . . . . . . 4519 1 1250 . 1 1 128 128 ILE CG1 C 13 27.329 0.000 . 1 . . . . . . . . 4519 1 1251 . 1 1 128 128 ILE HG12 H 1 1.270 0.010 . 2 . . . . . . . . 4519 1 1252 . 1 1 128 128 ILE HG13 H 1 1.068 0.009 . 2 . . . . . . . . 4519 1 1253 . 1 1 128 128 ILE HG21 H 1 0.897 0.015 . 1 . . . . . . . . 4519 1 1254 . 1 1 128 128 ILE HG22 H 1 0.897 0.015 . 1 . . . . . . . . 4519 1 1255 . 1 1 128 128 ILE HG23 H 1 0.897 0.015 . 1 . . . . . . . . 4519 1 1256 . 1 1 128 128 ILE CG2 C 13 17.800 0.138 . 1 . . . . . . . . 4519 1 1257 . 1 1 128 128 ILE HD11 H 1 0.649 0.013 . 1 . . . . . . . . 4519 1 1258 . 1 1 128 128 ILE HD12 H 1 0.649 0.013 . 1 . . . . . . . . 4519 1 1259 . 1 1 128 128 ILE HD13 H 1 0.649 0.013 . 1 . . . . . . . . 4519 1 1260 . 1 1 128 128 ILE CD1 C 13 12.842 0.000 . 1 . . . . . . . . 4519 1 1261 . 1 1 128 128 ILE C C 13 176.193 0.001 . 1 . . . . . . . . 4519 1 1262 . 1 1 129 129 ASN N N 15 125.552 0.174 . 1 . . . . . . . . 4519 1 1263 . 1 1 129 129 ASN H H 1 9.120 0.014 . 1 . . . . . . . . 4519 1 1264 . 1 1 129 129 ASN CA C 13 52.867 0.233 . 1 . . . . . . . . 4519 1 1265 . 1 1 129 129 ASN HA H 1 4.742 0.019 . 1 . . . . . . . . 4519 1 1266 . 1 1 129 129 ASN CB C 13 38.885 0.000 . 1 . . . . . . . . 4519 1 1267 . 1 1 129 129 ASN HB2 H 1 2.976 0.000 . 2 . . . . . . . . 4519 1 1268 . 1 1 129 129 ASN HB3 H 1 2.814 0.000 . 2 . . . . . . . . 4519 1 1269 . 1 1 129 129 ASN C C 13 175.477 0.014 . 1 . . . . . . . . 4519 1 1270 . 1 1 130 130 GLU N N 15 122.659 0.174 . 1 . . . . . . . . 4519 1 1271 . 1 1 130 130 GLU H H 1 8.637 0.013 . 1 . . . . . . . . 4519 1 1272 . 1 1 130 130 GLU CA C 13 56.958 0.221 . 1 . . . . . . . . 4519 1 1273 . 1 1 130 130 GLU HA H 1 4.276 0.004 . 1 . . . . . . . . 4519 1 1274 . 1 1 130 130 GLU CB C 13 30.589 0.000 . 1 . . . . . . . . 4519 1 1275 . 1 1 130 130 GLU HB2 H 1 2.141 0.000 . 2 . . . . . . . . 4519 1 1276 . 1 1 130 130 GLU HB3 H 1 1.948 0.000 . 2 . . . . . . . . 4519 1 1277 . 1 1 130 130 GLU CG C 13 36.408 0.000 . 1 . . . . . . . . 4519 1 1278 . 1 1 130 130 GLU HG2 H 1 2.334 0.000 . 2 . . . . . . . . 4519 1 1279 . 1 1 130 130 GLU HG3 H 1 2.245 0.000 . 2 . . . . . . . . 4519 1 1280 . 1 1 130 130 GLU C C 13 176.723 0.004 . 1 . . . . . . . . 4519 1 1281 . 1 1 131 131 THR N N 15 113.510 0.177 . 1 . . . . . . . . 4519 1 1282 . 1 1 131 131 THR H H 1 7.984 0.011 . 1 . . . . . . . . 4519 1 1283 . 1 1 131 131 THR CA C 13 61.140 0.190 . 1 . . . . . . . . 4519 1 1284 . 1 1 131 131 THR HA H 1 4.433 0.027 . 1 . . . . . . . . 4519 1 1285 . 1 1 131 131 THR CB C 13 70.186 0.264 . 1 . . . . . . . . 4519 1 1286 . 1 1 131 131 THR HB H 1 4.264 0.009 . 1 . . . . . . . . 4519 1 1287 . 1 1 131 131 THR HG21 H 1 1.234 0.011 . 1 . . . . . . . . 4519 1 1288 . 1 1 131 131 THR HG22 H 1 1.234 0.011 . 1 . . . . . . . . 4519 1 1289 . 1 1 131 131 THR HG23 H 1 1.234 0.011 . 1 . . . . . . . . 4519 1 1290 . 1 1 131 131 THR CG2 C 13 21.546 0.002 . 1 . . . . . . . . 4519 1 1291 . 1 1 131 131 THR C C 13 174.076 0.021 . 1 . . . . . . . . 4519 1 1292 . 1 1 132 132 ASP N N 15 123.048 0.215 . 1 . . . . . . . . 4519 1 1293 . 1 1 132 132 ASP H H 1 8.462 0.012 . 1 . . . . . . . . 4519 1 1294 . 1 1 132 132 ASP CA C 13 54.759 0.000 . 1 . . . . . . . . 4519 1 1295 . 1 1 132 132 ASP HA H 1 4.775 0.018 . 1 . . . . . . . . 4519 1 1296 . 1 1 132 132 ASP CB C 13 42.005 0.000 . 1 . . . . . . . . 4519 1 1297 . 1 1 132 132 ASP HB2 H 1 2.617 0.012 . 1 . . . . . . . . 4519 1 1298 . 1 1 132 132 ASP HB3 H 1 2.617 0.012 . 1 . . . . . . . . 4519 1 1299 . 1 1 132 132 ASP C C 13 176.234 0.020 . 1 . . . . . . . . 4519 1 1300 . 1 1 133 133 THR N N 15 114.400 0.203 . 1 . . . . . . . . 4519 1 1301 . 1 1 133 133 THR H H 1 8.104 0.008 . 1 . . . . . . . . 4519 1 1302 . 1 1 133 133 THR CA C 13 61.779 0.099 . 1 . . . . . . . . 4519 1 1303 . 1 1 133 133 THR HA H 1 4.308 0.021 . 1 . . . . . . . . 4519 1 1304 . 1 1 133 133 THR CB C 13 69.991 0.171 . 1 . . . . . . . . 4519 1 1305 . 1 1 133 133 THR HB H 1 4.158 0.012 . 1 . . . . . . . . 4519 1 1306 . 1 1 133 133 THR HG21 H 1 1.129 0.013 . 1 . . . . . . . . 4519 1 1307 . 1 1 133 133 THR HG22 H 1 1.129 0.013 . 1 . . . . . . . . 4519 1 1308 . 1 1 133 133 THR HG23 H 1 1.129 0.013 . 1 . . . . . . . . 4519 1 1309 . 1 1 133 133 THR CG2 C 13 21.592 0.078 . 1 . . . . . . . . 4519 1 1310 . 1 1 133 133 THR C C 13 174.183 0.000 . 1 . . . . . . . . 4519 1 1311 . 1 1 134 134 PHE N N 15 122.198 0.215 . 1 . . . . . . . . 4519 1 1312 . 1 1 134 134 PHE H H 1 8.336 0.012 . 1 . . . . . . . . 4519 1 1313 . 1 1 134 134 PHE CA C 13 57.423 0.210 . 1 . . . . . . . . 4519 1 1314 . 1 1 134 134 PHE HA H 1 4.678 0.000 . 1 . . . . . . . . 4519 1 1315 . 1 1 134 134 PHE CB C 13 40.246 0.000 . 1 . . . . . . . . 4519 1 1316 . 1 1 134 134 PHE HB2 H 1 3.083 0.013 . 2 . . . . . . . . 4519 1 1317 . 1 1 134 134 PHE HB3 H 1 2.950 0.013 . 2 . . . . . . . . 4519 1 1318 . 1 1 134 134 PHE HD1 H 1 7.250 0.113 . 1 . . . . . . . . 4519 1 1319 . 1 1 134 134 PHE HD2 H 1 7.250 0.113 . 1 . . . . . . . . 4519 1 1320 . 1 1 134 134 PHE HE1 H 1 7.350 0.113 . 1 . . . . . . . . 4519 1 1321 . 1 1 134 134 PHE HE2 H 1 7.350 0.113 . 1 . . . . . . . . 4519 1 1322 . 1 1 134 134 PHE C C 13 175.690 0.011 . 1 . . . . . . . . 4519 1 1323 . 1 1 135 135 GLY N N 15 110.302 0.205 . 1 . . . . . . . . 4519 1 1324 . 1 1 135 135 GLY H H 1 8.051 0.015 . 1 . . . . . . . . 4519 1 1325 . 1 1 135 135 GLY CA C 13 44.603 0.268 . 1 . . . . . . . . 4519 1 1326 . 1 1 135 135 GLY HA2 H 1 3.757 0.010 . 1 . . . . . . . . 4519 1 1327 . 1 1 135 135 GLY HA3 H 1 3.757 0.010 . 1 . . . . . . . . 4519 1 1328 . 1 1 135 135 GLY C C 13 171.617 0.000 . 1 . . . . . . . . 4519 1 1329 . 1 1 136 136 PRO CD C 13 49.528 0.000 . 1 . . . . . . . . 4519 1 1330 . 1 1 136 136 PRO CA C 13 63.342 0.103 . 1 . . . . . . . . 4519 1 1331 . 1 1 136 136 PRO HA H 1 4.366 0.023 . 1 . . . . . . . . 4519 1 1332 . 1 1 136 136 PRO CB C 13 32.282 0.032 . 1 . . . . . . . . 4519 1 1333 . 1 1 136 136 PRO HB2 H 1 2.212 0.020 . 2 . . . . . . . . 4519 1 1334 . 1 1 136 136 PRO HB3 H 1 2.014 0.052 . 2 . . . . . . . . 4519 1 1335 . 1 1 136 136 PRO CG C 13 26.988 0.000 . 1 . . . . . . . . 4519 1 1336 . 1 1 136 136 PRO HG2 H 1 1.977 0.020 . 1 . . . . . . . . 4519 1 1337 . 1 1 136 136 PRO HG3 H 1 1.977 0.020 . 1 . . . . . . . . 4519 1 1338 . 1 1 136 136 PRO HD2 H 1 3.467 0.017 . 2 . . . . . . . . 4519 1 1339 . 1 1 136 136 PRO HD3 H 1 3.283 0.021 . 2 . . . . . . . . 4519 1 1340 . 1 1 136 136 PRO C C 13 177.753 0.000 . 1 . . . . . . . . 4519 1 1341 . 1 1 137 137 GLY N N 15 109.589 0.215 . 1 . . . . . . . . 4519 1 1342 . 1 1 137 137 GLY H H 1 8.509 0.019 . 1 . . . . . . . . 4519 1 1343 . 1 1 137 137 GLY CA C 13 45.359 0.000 . 1 . . . . . . . . 4519 1 1344 . 1 1 137 137 GLY HA2 H 1 4.001 0.033 . 2 . . . . . . . . 4519 1 1345 . 1 1 137 137 GLY HA3 H 1 3.941 0.033 . 2 . . . . . . . . 4519 1 1346 . 1 1 137 137 GLY C C 13 174.308 0.000 . 1 . . . . . . . . 4519 1 1347 . 1 1 138 138 ASP N N 15 120.706 0.178 . 1 . . . . . . . . 4519 1 1348 . 1 1 138 138 ASP H H 1 8.211 0.007 . 1 . . . . . . . . 4519 1 1349 . 1 1 138 138 ASP CA C 13 54.800 0.000 . 1 . . . . . . . . 4519 1 1350 . 1 1 138 138 ASP HA H 1 4.756 0.000 . 1 . . . . . . . . 4519 1 1351 . 1 1 138 138 ASP C C 13 176.770 0.000 . 1 . . . . . . . . 4519 1 1352 . 1 1 141 141 GLU N N 15 120.648 0.219 . 1 . . . . . . . . 4519 1 1353 . 1 1 141 141 GLU H H 1 8.283 0.019 . 1 . . . . . . . . 4519 1 1354 . 1 1 141 141 GLU CA C 13 56.988 0.000 . 1 . . . . . . . . 4519 1 1355 . 1 1 141 141 GLU HA H 1 4.233 0.035 . 1 . . . . . . . . 4519 1 1356 . 1 1 141 141 GLU CB C 13 30.648 0.000 . 1 . . . . . . . . 4519 1 1357 . 1 1 141 141 GLU HB2 H 1 2.007 0.037 . 1 . . . . . . . . 4519 1 1358 . 1 1 141 141 GLU HB3 H 1 2.007 0.037 . 1 . . . . . . . . 4519 1 1359 . 1 1 141 141 GLU CG C 13 36.335 0.000 . 1 . . . . . . . . 4519 1 1360 . 1 1 141 141 GLU HG2 H 1 2.283 0.000 . 1 . . . . . . . . 4519 1 1361 . 1 1 141 141 GLU HG3 H 1 2.283 0.000 . 1 . . . . . . . . 4519 1 1362 . 1 1 141 141 GLU C C 13 176.598 0.021 . 1 . . . . . . . . 4519 1 1363 . 1 1 142 142 ILE N N 15 122.158 0.204 . 1 . . . . . . . . 4519 1 1364 . 1 1 142 142 ILE H H 1 8.085 0.017 . 1 . . . . . . . . 4519 1 1365 . 1 1 142 142 ILE CA C 13 61.066 0.085 . 1 . . . . . . . . 4519 1 1366 . 1 1 142 142 ILE HA H 1 4.094 0.016 . 1 . . . . . . . . 4519 1 1367 . 1 1 142 142 ILE CB C 13 38.701 0.000 . 1 . . . . . . . . 4519 1 1368 . 1 1 142 142 ILE HB H 1 1.806 0.015 . 1 . . . . . . . . 4519 1 1369 . 1 1 142 142 ILE HG21 H 1 0.768 0.034 . 1 . . . . . . . . 4519 1 1370 . 1 1 142 142 ILE HG22 H 1 0.768 0.034 . 1 . . . . . . . . 4519 1 1371 . 1 1 142 142 ILE HG23 H 1 0.768 0.034 . 1 . . . . . . . . 4519 1 1372 . 1 1 142 142 ILE CG2 C 13 17.505 0.000 . 1 . . . . . . . . 4519 1 1373 . 1 1 142 142 ILE CG1 C 13 27.415 0.000 . 1 . . . . . . . . 4519 1 1374 . 1 1 142 142 ILE HG12 H 1 1.475 0.000 . 2 . . . . . . . . 4519 1 1375 . 1 1 142 142 ILE HG13 H 1 1.156 0.000 . 2 . . . . . . . . 4519 1 1376 . 1 1 142 142 ILE HD11 H 1 0.815 0.057 . 1 . . . . . . . . 4519 1 1377 . 1 1 142 142 ILE HD12 H 1 0.815 0.057 . 1 . . . . . . . . 4519 1 1378 . 1 1 142 142 ILE HD13 H 1 0.815 0.057 . 1 . . . . . . . . 4519 1 1379 . 1 1 142 142 ILE CD1 C 13 12.918 0.000 . 1 . . . . . . . . 4519 1 1380 . 1 1 142 142 ILE C C 13 175.915 0.021 . 1 . . . . . . . . 4519 1 1381 . 1 1 143 143 GLN N N 15 124.395 0.227 . 1 . . . . . . . . 4519 1 1382 . 1 1 143 143 GLN H H 1 8.315 0.015 . 1 . . . . . . . . 4519 1 1383 . 1 1 143 143 GLN CA C 13 55.493 0.000 . 1 . . . . . . . . 4519 1 1384 . 1 1 143 143 GLN HA H 1 4.678 0.032 . 1 . . . . . . . . 4519 1 1385 . 1 1 143 143 GLN CB C 13 29.998 0.000 . 1 . . . . . . . . 4519 1 1386 . 1 1 143 143 GLN HB2 H 1 2.260 0.000 . 1 . . . . . . . . 4519 1 1387 . 1 1 143 143 GLN HB3 H 1 2.260 0.000 . 1 . . . . . . . . 4519 1 1388 . 1 1 143 143 GLN CG C 13 33.655 0.000 . 1 . . . . . . . . 4519 1 1389 . 1 1 143 143 GLN C C 13 175.584 0.012 . 1 . . . . . . . . 4519 1 1390 . 1 1 144 144 PHE N N 15 122.015 0.214 . 1 . . . . . . . . 4519 1 1391 . 1 1 144 144 PHE H H 1 8.316 0.020 . 1 . . . . . . . . 4519 1 1392 . 1 1 144 144 PHE CA C 13 57.880 0.000 . 1 . . . . . . . . 4519 1 1393 . 1 1 144 144 PHE HA H 1 4.667 0.000 . 1 . . . . . . . . 4519 1 1394 . 1 1 144 144 PHE CB C 13 39.971 0.000 . 1 . . . . . . . . 4519 1 1395 . 1 1 144 144 PHE HB2 H 1 3.196 0.000 . 2 . . . . . . . . 4519 1 1396 . 1 1 144 144 PHE HB3 H 1 2.996 0.000 . 2 . . . . . . . . 4519 1 1397 . 1 1 144 144 PHE HD1 H 1 7.270 0.000 . 1 . . . . . . . . 4519 1 1398 . 1 1 144 144 PHE HD2 H 1 7.270 0.000 . 1 . . . . . . . . 4519 1 1399 . 1 1 144 144 PHE HE1 H 1 7.350 0.000 . 1 . . . . . . . . 4519 1 1400 . 1 1 144 144 PHE HE2 H 1 7.350 0.000 . 1 . . . . . . . . 4519 1 1401 . 1 1 144 144 PHE C C 13 175.493 0.006 . 1 . . . . . . . . 4519 1 1402 . 1 1 145 145 ASP N N 15 121.339 0.175 . 1 . . . . . . . . 4519 1 1403 . 1 1 145 145 ASP H H 1 8.371 0.021 . 1 . . . . . . . . 4519 1 1404 . 1 1 145 145 ASP CA C 13 53.950 0.000 . 1 . . . . . . . . 4519 1 1405 . 1 1 145 145 ASP C C 13 175.732 0.010 . 1 . . . . . . . . 4519 1 1406 . 1 1 147 147 ILE N N 15 120.627 0.214 . 1 . . . . . . . . 4519 1 1407 . 1 1 147 147 ILE H H 1 8.060 0.018 . 1 . . . . . . . . 4519 1 1408 . 1 1 147 147 ILE CA C 13 61.733 0.000 . 1 . . . . . . . . 4519 1 1409 . 1 1 147 147 ILE HA H 1 4.188 0.037 . 1 . . . . . . . . 4519 1 1410 . 1 1 147 147 ILE CB C 13 38.701 0.000 . 1 . . . . . . . . 4519 1 1411 . 1 1 147 147 ILE HB H 1 1.977 0.007 . 1 . . . . . . . . 4519 1 1412 . 1 1 147 147 ILE HG21 H 1 0.940 0.000 . 1 . . . . . . . . 4519 1 1413 . 1 1 147 147 ILE HG22 H 1 0.940 0.000 . 1 . . . . . . . . 4519 1 1414 . 1 1 147 147 ILE HG23 H 1 0.940 0.000 . 1 . . . . . . . . 4519 1 1415 . 1 1 147 147 ILE CG2 C 13 17.597 0.000 . 1 . . . . . . . . 4519 1 1416 . 1 1 147 147 ILE CG1 C 13 27.048 0.000 . 1 . . . . . . . . 4519 1 1417 . 1 1 147 147 ILE HG12 H 1 1.490 0.000 . 2 . . . . . . . . 4519 1 1418 . 1 1 147 147 ILE HG13 H 1 1.220 0.000 . 2 . . . . . . . . 4519 1 1419 . 1 1 147 147 ILE CD1 C 13 13.193 0.000 . 1 . . . . . . . . 4519 1 1420 . 1 1 147 147 ILE HD11 H 1 0.890 0.000 . 1 . . . . . . . . 4519 1 1421 . 1 1 147 147 ILE HD12 H 1 0.890 0.000 . 1 . . . . . . . . 4519 1 1422 . 1 1 147 147 ILE HD13 H 1 0.890 0.000 . 1 . . . . . . . . 4519 1 1423 . 1 1 147 147 ILE C C 13 176.941 0.000 . 1 . . . . . . . . 4519 1 1424 . 1 1 148 148 GLY N N 15 112.351 0.226 . 1 . . . . . . . . 4519 1 1425 . 1 1 148 148 GLY H H 1 8.469 0.017 . 1 . . . . . . . . 4519 1 1426 . 1 1 148 148 GLY CA C 13 44.991 0.000 . 1 . . . . . . . . 4519 1 1427 . 1 1 148 148 GLY HA2 H 1 3.983 0.000 . 1 . . . . . . . . 4519 1 1428 . 1 1 148 148 GLY HA3 H 1 3.983 0.000 . 1 . . . . . . . . 4519 1 1429 . 1 1 148 148 GLY C C 13 174.053 0.009 . 1 . . . . . . . . 4519 1 1430 . 1 1 149 149 ASP N N 15 120.876 0.183 . 1 . . . . . . . . 4519 1 1431 . 1 1 149 149 ASP H H 1 8.295 0.017 . 1 . . . . . . . . 4519 1 1432 . 1 1 149 149 ASP CA C 13 54.358 0.000 . 1 . . . . . . . . 4519 1 1433 . 1 1 149 149 ASP C C 13 176.495 0.000 . 1 . . . . . . . . 4519 1 1434 . 1 1 152 152 GLU N N 15 120.664 0.224 . 1 . . . . . . . . 4519 1 1435 . 1 1 152 152 GLU H H 1 8.310 0.028 . 1 . . . . . . . . 4519 1 1436 . 1 1 152 152 GLU CA C 13 56.782 0.000 . 1 . . . . . . . . 4519 1 1437 . 1 1 152 152 GLU HA H 1 4.306 0.000 . 1 . . . . . . . . 4519 1 1438 . 1 1 152 152 GLU CB C 13 30.870 0.000 . 1 . . . . . . . . 4519 1 1439 . 1 1 152 152 GLU CG C 13 36.266 0.000 . 1 . . . . . . . . 4519 1 1440 . 1 1 152 152 GLU HG2 H 1 2.283 0.000 . 1 . . . . . . . . 4519 1 1441 . 1 1 152 152 GLU HG3 H 1 2.283 0.000 . 1 . . . . . . . . 4519 1 1442 . 1 1 152 152 GLU C C 13 176.317 0.039 . 1 . . . . . . . . 4519 1 1443 . 1 1 153 153 ASP N N 15 122.049 0.196 . 1 . . . . . . . . 4519 1 1444 . 1 1 153 153 ASP H H 1 8.455 0.009 . 1 . . . . . . . . 4519 1 1445 . 1 1 153 153 ASP CA C 13 54.479 0.000 . 1 . . . . . . . . 4519 1 1446 . 1 1 153 153 ASP HA H 1 4.681 0.000 . 1 . . . . . . . . 4519 1 1447 . 1 1 153 153 ASP CB C 13 41.423 0.000 . 1 . . . . . . . . 4519 1 1448 . 1 1 153 153 ASP HB2 H 1 2.618 0.000 . 2 . . . . . . . . 4519 1 1449 . 1 1 153 153 ASP HB3 H 1 2.800 0.000 . 2 . . . . . . . . 4519 1 1450 . 1 1 153 153 ASP C C 13 176.275 0.003 . 1 . . . . . . . . 4519 1 1451 . 1 1 154 154 ILE N N 15 120.643 0.198 . 1 . . . . . . . . 4519 1 1452 . 1 1 154 154 ILE H H 1 8.032 0.014 . 1 . . . . . . . . 4519 1 1453 . 1 1 154 154 ILE CA C 13 61.457 0.000 . 1 . . . . . . . . 4519 1 1454 . 1 1 154 154 ILE HA H 1 4.215 0.016 . 1 . . . . . . . . 4519 1 1455 . 1 1 154 154 ILE CB C 13 39.252 0.000 . 1 . . . . . . . . 4519 1 1456 . 1 1 154 154 ILE HB H 1 1.953 0.000 . 1 . . . . . . . . 4519 1 1457 . 1 1 154 154 ILE HG21 H 1 0.920 0.000 . 1 . . . . . . . . 4519 1 1458 . 1 1 154 154 ILE HG22 H 1 0.920 0.000 . 1 . . . . . . . . 4519 1 1459 . 1 1 154 154 ILE HG23 H 1 0.920 0.000 . 1 . . . . . . . . 4519 1 1460 . 1 1 154 154 ILE CG2 C 13 17.597 0.000 . 1 . . . . . . . . 4519 1 1461 . 1 1 154 154 ILE CG1 C 13 26.957 0.000 . 1 . . . . . . . . 4519 1 1462 . 1 1 154 154 ILE HG12 H 1 1.473 0.000 . 2 . . . . . . . . 4519 1 1463 . 1 1 154 154 ILE HG13 H 1 1.215 0.000 . 2 . . . . . . . . 4519 1 1464 . 1 1 154 154 ILE CD1 C 13 13.193 0.000 . 1 . . . . . . . . 4519 1 1465 . 1 1 154 154 ILE HD11 H 1 0.900 0.000 . 1 . . . . . . . . 4519 1 1466 . 1 1 154 154 ILE HD12 H 1 0.900 0.000 . 1 . . . . . . . . 4519 1 1467 . 1 1 154 154 ILE HD13 H 1 0.900 0.000 . 1 . . . . . . . . 4519 1 1468 . 1 1 154 154 ILE C C 13 176.032 0.011 . 1 . . . . . . . . 4519 1 1469 . 1 1 155 155 ASP N N 15 123.932 0.226 . 1 . . . . . . . . 4519 1 1470 . 1 1 155 155 ASP H H 1 8.363 0.013 . 1 . . . . . . . . 4519 1 1471 . 1 1 155 155 ASP CA C 13 54.760 0.000 . 1 . . . . . . . . 4519 1 1472 . 1 1 155 155 ASP HA H 1 4.673 0.008 . 1 . . . . . . . . 4519 1 1473 . 1 1 155 155 ASP CB C 13 41.747 0.000 . 1 . . . . . . . . 4519 1 1474 . 1 1 155 155 ASP HB2 H 1 2.724 0.015 . 2 . . . . . . . . 4519 1 1475 . 1 1 155 155 ASP HB3 H 1 2.644 0.015 . 2 . . . . . . . . 4519 1 1476 . 1 1 155 155 ASP C C 13 175.968 0.011 . 1 . . . . . . . . 4519 1 1477 . 1 1 156 156 ASP N N 15 121.433 0.214 . 1 . . . . . . . . 4519 1 1478 . 1 1 156 156 ASP H H 1 8.265 0.010 . 1 . . . . . . . . 4519 1 1479 . 1 1 156 156 ASP CA C 13 54.517 0.000 . 1 . . . . . . . . 4519 1 1480 . 1 1 156 156 ASP HA H 1 4.671 0.010 . 1 . . . . . . . . 4519 1 1481 . 1 1 156 156 ASP CB C 13 41.265 0.000 . 1 . . . . . . . . 4519 1 1482 . 1 1 156 156 ASP HB2 H 1 2.729 0.011 . 2 . . . . . . . . 4519 1 1483 . 1 1 156 156 ASP HB3 H 1 2.590 0.011 . 2 . . . . . . . . 4519 1 1484 . 1 1 156 156 ASP C C 13 175.241 0.011 . 1 . . . . . . . . 4519 1 1485 . 1 1 157 157 ILE N N 15 124.783 0.213 . 1 . . . . . . . . 4519 1 1486 . 1 1 157 157 ILE H H 1 7.601 0.011 . 1 . . . . . . . . 4519 1 1487 . 1 1 157 157 ILE CA C 13 62.732 0.020 . 1 . . . . . . . . 4519 1 1488 . 1 1 157 157 ILE HA H 1 4.096 0.018 . 1 . . . . . . . . 4519 1 1489 . 1 1 157 157 ILE CB C 13 39.579 0.000 . 1 . . . . . . . . 4519 1 1490 . 1 1 157 157 ILE HB H 1 1.873 0.000 . 1 . . . . . . . . 4519 1 1491 . 1 1 157 157 ILE HG21 H 1 0.913 0.019 . 1 . . . . . . . . 4519 1 1492 . 1 1 157 157 ILE HG22 H 1 0.913 0.019 . 1 . . . . . . . . 4519 1 1493 . 1 1 157 157 ILE HG23 H 1 0.913 0.019 . 1 . . . . . . . . 4519 1 1494 . 1 1 157 157 ILE CG2 C 13 18.018 0.040 . 1 . . . . . . . . 4519 1 1495 . 1 1 157 157 ILE HG12 H 1 1.453 0.021 . 2 . . . . . . . . 4519 1 1496 . 1 1 157 157 ILE HG13 H 1 1.171 0.020 . 2 . . . . . . . . 4519 1 1497 . 1 1 157 157 ILE HD11 H 1 0.898 0.000 . 1 . . . . . . . . 4519 1 1498 . 1 1 157 157 ILE HD12 H 1 0.898 0.000 . 1 . . . . . . . . 4519 1 1499 . 1 1 157 157 ILE HD13 H 1 0.898 0.000 . 1 . . . . . . . . 4519 1 1500 . 1 1 157 157 ILE CD1 C 13 13.603 0.000 . 1 . . . . . . . . 4519 1 1501 . 1 1 157 157 ILE C C 13 181.388 0.000 . 1 . . . . . . . . 4519 1 stop_ save_