data_5294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5294 _Entry.Title ; Structure of the beta subunit of translation initiation factor 2 from the archaeon Methanococcus jannaschii: A representative of the eIF2beta/eIF5 family of proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-18 _Entry.Accession_date 2002-02-18 _Entry.Last_release_date 2002-09-11 _Entry.Original_release_date 2002-09-11 _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 Seongeun Cho . . . 5294 2 David Hoffman . W. . 5294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 485 5294 '13C chemical shifts' 181 5294 '15N chemical shifts' 103 5294 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 . . 2002-09-11 2002-02-18 original author . 5294 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21976992 _Citation.DOI . _Citation.PubMed_ID 11980477 _Citation.Full_citation . _Citation.Title ; Structure of the Beta Subunit of Translation Initiation Factor 2 from the Archaeon Methanococcus jannaschii: A Representative of the eIF2beta/eIF5 Family of Proteins ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 18 _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 5730 _Citation.Page_last 5742 _Citation.Year 2002 _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 Seongeun Cho . . . 5294 1 2 David Hoffman . W. . 5294 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'translation initiation factor' 5294 1 'protein structure' 5294 1 aIf2b 5294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_aIF2b _Assembly.Sf_category assembly _Assembly.Sf_framecode system_aIF2b _Assembly.Entry_ID 5294 _Assembly.ID 1 _Assembly.Name 'beta subunit of translation initiation factor 2' _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 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; N-terminal domain (residue 39-90)and C-terminal domain (residues 108-143) have been deposited separately. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5294 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 aIF2b 1 $aIF2b . . . native . . . . . 5294 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 5294 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 110 110 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5294 1 2 coordination single . 1 . 1 CYS 113 113 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5294 1 3 coordination single . 1 . 1 CYS 131 131 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5294 1 4 coordination single . 1 . 1 CYS 134 134 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5294 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes pdb 1K8B . . . . . . 5294 1 yes pdb 1K81 . . . . . . 5294 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'beta subunit of translation initiation factor 2' system 5294 1 aIF2b abbreviation 5294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aIF2b _Entity.Sf_category entity _Entity.Sf_framecode aIF2b _Entity.Entry_ID 5294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'translation initiation factor IF2b' _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 ; MSDLENIDYYDYKALLKRAR SQIPDYVFQKDRFELPEIEI LIEGNRTIIRNFRELAKAVN RDEEFFAKYLLKETGSAGNL EGGRLILQRRISPELLKSRI NDFLREYVICRECGKPDTKI IKEGRVHLLKCMACGAIRPI RMI ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB AAB98077 . "translation initiation factor aIF-2, subunit beta, putative (aIF2B) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 143 100.00 100.00 4.95e-97 . . . . 5294 1 2 no GB ACV24219 . "translation initiation factor aIF-2, beta subunit [Methanocaldococcus fervens AG86]" . . . . . 100.00 143 97.20 100.00 7.36e-95 . . . . 5294 1 3 no GB ADC69390 . "translation initiation factor aIF-2, beta subunit [Methanocaldococcus sp. FS406-22]" . . . . . 100.00 143 98.60 100.00 1.08e-95 . . . . 5294 1 4 no GB AIJ05339 . "translation initiation factor eIF-2, beta subunit [Methanocaldococcus sp. JH146]" . . . . . 100.00 143 99.30 100.00 2.41e-96 . . . . 5294 1 5 no REF NP_247061 . "translation initiation factor IF-2 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 143 100.00 100.00 4.95e-97 . . . . 5294 1 6 no REF WP_010869589 . "translation initiation factor IF-2 [Methanocaldococcus jannaschii]" . . . . . 100.00 143 100.00 100.00 4.95e-97 . . . . 5294 1 7 no REF WP_012980300 . "translation initiation factor IF-2 [Methanocaldococcus sp. FS406-22]" . . . . . 100.00 143 98.60 100.00 1.08e-95 . . . . 5294 1 8 no REF WP_015790959 . "translation initiation factor IF-2 [Methanocaldococcus fervens]" . . . . . 100.00 143 97.20 100.00 7.36e-95 . . . . 5294 1 9 no REF YP_003127719 . "translation initiation factor IF-2 [Methanocaldococcus fervens AG86]" . . . . . 100.00 143 97.20 100.00 7.36e-95 . . . . 5294 1 10 no SP Q57562 . "RecName: Full=Translation initiation factor 2 subunit beta; AltName: Full=aIF2-beta; AltName: Full=eIF-2-beta [Methanocaldococc" . . . . . 100.00 143 100.00 100.00 4.95e-97 . . . . 5294 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'translation initiation factor IF2b' common 5294 1 aIF2b abbreviation 5294 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 . 5294 1 2 . SER . 5294 1 3 . ASP . 5294 1 4 . LEU . 5294 1 5 . GLU . 5294 1 6 . ASN . 5294 1 7 . ILE . 5294 1 8 . ASP . 5294 1 9 . TYR . 5294 1 10 . TYR . 5294 1 11 . ASP . 5294 1 12 . TYR . 5294 1 13 . LYS . 5294 1 14 . ALA . 5294 1 15 . LEU . 5294 1 16 . LEU . 5294 1 17 . LYS . 5294 1 18 . ARG . 5294 1 19 . ALA . 5294 1 20 . ARG . 5294 1 21 . SER . 5294 1 22 . GLN . 5294 1 23 . ILE . 5294 1 24 . PRO . 5294 1 25 . ASP . 5294 1 26 . TYR . 5294 1 27 . VAL . 5294 1 28 . PHE . 5294 1 29 . GLN . 5294 1 30 . LYS . 5294 1 31 . ASP . 5294 1 32 . ARG . 5294 1 33 . PHE . 5294 1 34 . GLU . 5294 1 35 . LEU . 5294 1 36 . PRO . 5294 1 37 . GLU . 5294 1 38 . ILE . 5294 1 39 . GLU . 5294 1 40 . ILE . 5294 1 41 . LEU . 5294 1 42 . ILE . 5294 1 43 . GLU . 5294 1 44 . GLY . 5294 1 45 . ASN . 5294 1 46 . ARG . 5294 1 47 . THR . 5294 1 48 . ILE . 5294 1 49 . ILE . 5294 1 50 . ARG . 5294 1 51 . ASN . 5294 1 52 . PHE . 5294 1 53 . ARG . 5294 1 54 . GLU . 5294 1 55 . LEU . 5294 1 56 . ALA . 5294 1 57 . LYS . 5294 1 58 . ALA . 5294 1 59 . VAL . 5294 1 60 . ASN . 5294 1 61 . ARG . 5294 1 62 . ASP . 5294 1 63 . GLU . 5294 1 64 . GLU . 5294 1 65 . PHE . 5294 1 66 . PHE . 5294 1 67 . ALA . 5294 1 68 . LYS . 5294 1 69 . TYR . 5294 1 70 . LEU . 5294 1 71 . LEU . 5294 1 72 . LYS . 5294 1 73 . GLU . 5294 1 74 . THR . 5294 1 75 . GLY . 5294 1 76 . SER . 5294 1 77 . ALA . 5294 1 78 . GLY . 5294 1 79 . ASN . 5294 1 80 . LEU . 5294 1 81 . GLU . 5294 1 82 . GLY . 5294 1 83 . GLY . 5294 1 84 . ARG . 5294 1 85 . LEU . 5294 1 86 . ILE . 5294 1 87 . LEU . 5294 1 88 . GLN . 5294 1 89 . ARG . 5294 1 90 . ARG . 5294 1 91 . ILE . 5294 1 92 . SER . 5294 1 93 . PRO . 5294 1 94 . GLU . 5294 1 95 . LEU . 5294 1 96 . LEU . 5294 1 97 . LYS . 5294 1 98 . SER . 5294 1 99 . ARG . 5294 1 100 . ILE . 5294 1 101 . ASN . 5294 1 102 . ASP . 5294 1 103 . PHE . 5294 1 104 . LEU . 5294 1 105 . ARG . 5294 1 106 . GLU . 5294 1 107 . TYR . 5294 1 108 . VAL . 5294 1 109 . ILE . 5294 1 110 . CYS . 5294 1 111 . ARG . 5294 1 112 . GLU . 5294 1 113 . CYS . 5294 1 114 . GLY . 5294 1 115 . LYS . 5294 1 116 . PRO . 5294 1 117 . ASP . 5294 1 118 . THR . 5294 1 119 . LYS . 5294 1 120 . ILE . 5294 1 121 . ILE . 5294 1 122 . LYS . 5294 1 123 . GLU . 5294 1 124 . GLY . 5294 1 125 . ARG . 5294 1 126 . VAL . 5294 1 127 . HIS . 5294 1 128 . LEU . 5294 1 129 . LEU . 5294 1 130 . LYS . 5294 1 131 . CYS . 5294 1 132 . MET . 5294 1 133 . ALA . 5294 1 134 . CYS . 5294 1 135 . GLY . 5294 1 136 . ALA . 5294 1 137 . ILE . 5294 1 138 . ARG . 5294 1 139 . PRO . 5294 1 140 . ILE . 5294 1 141 . ARG . 5294 1 142 . MET . 5294 1 143 . ILE . 5294 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 5294 1 . SER 2 2 5294 1 . ASP 3 3 5294 1 . LEU 4 4 5294 1 . GLU 5 5 5294 1 . ASN 6 6 5294 1 . ILE 7 7 5294 1 . ASP 8 8 5294 1 . TYR 9 9 5294 1 . TYR 10 10 5294 1 . ASP 11 11 5294 1 . TYR 12 12 5294 1 . LYS 13 13 5294 1 . ALA 14 14 5294 1 . LEU 15 15 5294 1 . LEU 16 16 5294 1 . LYS 17 17 5294 1 . ARG 18 18 5294 1 . ALA 19 19 5294 1 . ARG 20 20 5294 1 . SER 21 21 5294 1 . GLN 22 22 5294 1 . ILE 23 23 5294 1 . PRO 24 24 5294 1 . ASP 25 25 5294 1 . TYR 26 26 5294 1 . VAL 27 27 5294 1 . PHE 28 28 5294 1 . GLN 29 29 5294 1 . LYS 30 30 5294 1 . ASP 31 31 5294 1 . ARG 32 32 5294 1 . PHE 33 33 5294 1 . GLU 34 34 5294 1 . LEU 35 35 5294 1 . PRO 36 36 5294 1 . GLU 37 37 5294 1 . ILE 38 38 5294 1 . GLU 39 39 5294 1 . ILE 40 40 5294 1 . LEU 41 41 5294 1 . ILE 42 42 5294 1 . GLU 43 43 5294 1 . GLY 44 44 5294 1 . ASN 45 45 5294 1 . ARG 46 46 5294 1 . THR 47 47 5294 1 . ILE 48 48 5294 1 . ILE 49 49 5294 1 . ARG 50 50 5294 1 . ASN 51 51 5294 1 . PHE 52 52 5294 1 . ARG 53 53 5294 1 . GLU 54 54 5294 1 . LEU 55 55 5294 1 . ALA 56 56 5294 1 . LYS 57 57 5294 1 . ALA 58 58 5294 1 . VAL 59 59 5294 1 . ASN 60 60 5294 1 . ARG 61 61 5294 1 . ASP 62 62 5294 1 . GLU 63 63 5294 1 . GLU 64 64 5294 1 . PHE 65 65 5294 1 . PHE 66 66 5294 1 . ALA 67 67 5294 1 . LYS 68 68 5294 1 . TYR 69 69 5294 1 . LEU 70 70 5294 1 . LEU 71 71 5294 1 . LYS 72 72 5294 1 . GLU 73 73 5294 1 . THR 74 74 5294 1 . GLY 75 75 5294 1 . SER 76 76 5294 1 . ALA 77 77 5294 1 . GLY 78 78 5294 1 . ASN 79 79 5294 1 . LEU 80 80 5294 1 . GLU 81 81 5294 1 . GLY 82 82 5294 1 . GLY 83 83 5294 1 . ARG 84 84 5294 1 . LEU 85 85 5294 1 . ILE 86 86 5294 1 . LEU 87 87 5294 1 . GLN 88 88 5294 1 . ARG 89 89 5294 1 . ARG 90 90 5294 1 . ILE 91 91 5294 1 . SER 92 92 5294 1 . PRO 93 93 5294 1 . GLU 94 94 5294 1 . LEU 95 95 5294 1 . LEU 96 96 5294 1 . LYS 97 97 5294 1 . SER 98 98 5294 1 . ARG 99 99 5294 1 . ILE 100 100 5294 1 . ASN 101 101 5294 1 . ASP 102 102 5294 1 . PHE 103 103 5294 1 . LEU 104 104 5294 1 . ARG 105 105 5294 1 . GLU 106 106 5294 1 . TYR 107 107 5294 1 . VAL 108 108 5294 1 . ILE 109 109 5294 1 . CYS 110 110 5294 1 . ARG 111 111 5294 1 . GLU 112 112 5294 1 . CYS 113 113 5294 1 . GLY 114 114 5294 1 . LYS 115 115 5294 1 . PRO 116 116 5294 1 . ASP 117 117 5294 1 . THR 118 118 5294 1 . LYS 119 119 5294 1 . ILE 120 120 5294 1 . ILE 121 121 5294 1 . LYS 122 122 5294 1 . GLU 123 123 5294 1 . GLY 124 124 5294 1 . ARG 125 125 5294 1 . VAL 126 126 5294 1 . HIS 127 127 5294 1 . LEU 128 128 5294 1 . LEU 129 129 5294 1 . LYS 130 130 5294 1 . CYS 131 131 5294 1 . MET 132 132 5294 1 . ALA 133 133 5294 1 . CYS 134 134 5294 1 . GLY 135 135 5294 1 . ALA 136 136 5294 1 . ILE 137 137 5294 1 . ARG 138 138 5294 1 . PRO 139 139 5294 1 . ILE 140 140 5294 1 . ARG 141 141 5294 1 . MET 142 142 5294 1 . ILE 143 143 5294 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5294 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 5294 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5294 _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 $aIF2b . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 5294 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 5294 _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 $aIF2b . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5294 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5294 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 09:47:52 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 5294 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5294 ZN [Zn++] SMILES CACTVS 3.341 5294 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5294 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5294 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5294 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5294 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5294 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5294 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5294 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5294 _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 IF2b' '[U-13C; U-15N]' . . 1 $aIF2b . . . 0.5 1.5 mM . . . . 5294 1 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 5294 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5294 _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 IF2b' [U-15N] . . 1 $aIF2b . . . 0.5 1.5 mM . . . . 5294 2 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 5294 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5294 _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 6.0 0.2 na 5294 1 temperature 303 1 K 5294 1 stop_ save_ ############################ # Computer software used # ############################ save_felix _Software.Sf_category software _Software.Sf_framecode felix _Software.Entry_ID 5294 _Software.ID 1 _Software.Name felix _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5294 1 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 5294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5294 _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 INOVA . 500 . . . 5294 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 5294 _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 HNCA . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 2 HNCO . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 3 HNCACB . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 4 HN(CO)CACB . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 5 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 6 15N-HMQC . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 7 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 1 8 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5294 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 5294 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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 5294 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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 5294 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5294 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5294 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5294 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5294 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5294 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-13C-1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 1 _NMR_spec_expt.Software_label $felix _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5294 _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 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5294 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5294 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5294 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 5294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; Several residues (such as V59,E63,E64,A67,L71,K72,L80) had double peaks in both proton and nitrogen dimension for amide and nitrogen signals, probably due to conformational heterogeneity. ; _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 HNCA . . . 5294 1 2 HNCO . . . 5294 1 3 HNCACB . . . 5294 1 4 HN(CO)CACB . . . 5294 1 5 3D-HCCH-TOCSY . . . 5294 1 6 15N-HMQC . . . 5294 1 7 '3D 1H-1H-15N NOESY' . . . 5294 1 8 '3D 1H-13C-1H HCCH-TOCSY' . . . 5294 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 21 21 SER N N 15 116.38 . . 1 . . . . . . . . 5294 1 2 . 1 1 21 21 SER H H 1 8.28 . . 1 . . . . . . . . 5294 1 3 . 1 1 21 21 SER CA C 13 58.49 . . 1 . . . . . . . . 5294 1 4 . 1 1 21 21 SER HA H 1 4.46 . . 1 . . . . . . . . 5294 1 5 . 1 1 21 21 SER HB2 H 1 3.84 . . 2 . . . . . . . . 5294 1 6 . 1 1 22 22 GLN C C 13 174.60 . . 1 . . . . . . . . 5294 1 7 . 1 1 23 23 ILE N N 15 124.70 . . 1 . . . . . . . . 5294 1 8 . 1 1 23 23 ILE H H 1 7.19 . . 1 . . . . . . . . 5294 1 9 . 1 1 23 23 ILE CA C 13 63.07 . . 1 . . . . . . . . 5294 1 10 . 1 1 23 23 ILE HA H 1 4.14 . . 1 . . . . . . . . 5294 1 11 . 1 1 23 23 ILE HB H 1 1.85 . . 2 . . . . . . . . 5294 1 12 . 1 1 23 23 ILE HG21 H 1 0.95 . . 4 . . . . . . . . 5294 1 13 . 1 1 23 23 ILE HG22 H 1 0.95 . . 4 . . . . . . . . 5294 1 14 . 1 1 23 23 ILE HG23 H 1 0.95 . . 4 . . . . . . . . 5294 1 15 . 1 1 25 25 ASP N N 15 119.93 . . 1 . . . . . . . . 5294 1 16 . 1 1 25 25 ASP H H 1 8.22 . . 1 . . . . . . . . 5294 1 17 . 1 1 25 25 ASP C C 13 175.02 . . 1 . . . . . . . . 5294 1 18 . 1 1 25 25 ASP CA C 13 54.83 . . 1 . . . . . . . . 5294 1 19 . 1 1 25 25 ASP HA H 1 4.65 . . 1 . . . . . . . . 5294 1 20 . 1 1 25 25 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 5294 1 21 . 1 1 25 25 ASP HB3 H 1 3.75 . . 2 . . . . . . . . 5294 1 22 . 1 1 26 26 TYR N N 15 119.05 . . 1 . . . . . . . . 5294 1 23 . 1 1 26 26 TYR H H 1 7.82 . . 1 . . . . . . . . 5294 1 24 . 1 1 26 26 TYR C C 13 175.07 . . 1 . . . . . . . . 5294 1 25 . 1 1 26 26 TYR CA C 13 58.47 . . 1 . . . . . . . . 5294 1 26 . 1 1 26 26 TYR HA H 1 4.43 . . 1 . . . . . . . . 5294 1 27 . 1 1 26 26 TYR HB2 H 1 2.90 . . 2 . . . . . . . . 5294 1 28 . 1 1 26 26 TYR HB3 H 1 2.96 . . 2 . . . . . . . . 5294 1 29 . 1 1 26 26 TYR HD1 H 1 6.98 . . 3 . . . . . . . . 5294 1 30 . 1 1 26 26 TYR HE1 H 1 6.74 . . 3 . . . . . . . . 5294 1 31 . 1 1 27 27 VAL N N 15 121.82 . . 1 . . . . . . . . 5294 1 32 . 1 1 27 27 VAL H H 1 7.71 . . 1 . . . . . . . . 5294 1 33 . 1 1 27 27 VAL C C 13 176.44 . . 1 . . . . . . . . 5294 1 34 . 1 1 27 27 VAL CA C 13 62.96 . . 1 . . . . . . . . 5294 1 35 . 1 1 27 27 VAL HA H 1 3.88 . . 1 . . . . . . . . 5294 1 36 . 1 1 27 27 VAL HB H 1 1.85 . . 1 . . . . . . . . 5294 1 37 . 1 1 27 27 VAL HG11 H 1 0.70 . . 1 . . . . . . . . 5294 1 38 . 1 1 27 27 VAL HG12 H 1 0.70 . . 1 . . . . . . . . 5294 1 39 . 1 1 27 27 VAL HG13 H 1 0.70 . . 1 . . . . . . . . 5294 1 40 . 1 1 27 27 VAL HG21 H 1 0.74 . . 1 . . . . . . . . 5294 1 41 . 1 1 27 27 VAL HG22 H 1 0.74 . . 1 . . . . . . . . 5294 1 42 . 1 1 27 27 VAL HG23 H 1 0.74 . . 1 . . . . . . . . 5294 1 43 . 1 1 28 28 PHE N N 15 122.87 . . 1 . . . . . . . . 5294 1 44 . 1 1 28 28 PHE H H 1 8.01 . . 1 . . . . . . . . 5294 1 45 . 1 1 28 28 PHE C C 13 173.79 . . 1 . . . . . . . . 5294 1 46 . 1 1 28 28 PHE CA C 13 58.11 . . 1 . . . . . . . . 5294 1 47 . 1 1 28 28 PHE HA H 1 4.55 . . 1 . . . . . . . . 5294 1 48 . 1 1 28 28 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 5294 1 49 . 1 1 28 28 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 5294 1 50 . 1 1 29 29 GLN N N 15 124.69 . . 1 . . . . . . . . 5294 1 51 . 1 1 29 29 GLN H H 1 8.04 . . 1 . . . . . . . . 5294 1 52 . 1 1 29 29 GLN C C 13 177.75 . . 1 . . . . . . . . 5294 1 53 . 1 1 29 29 GLN CA C 13 55.41 . . 1 . . . . . . . . 5294 1 54 . 1 1 29 29 GLN HA H 1 4.28 . . 1 . . . . . . . . 5294 1 55 . 1 1 29 29 GLN HB2 H 1 1.74 . . 2 . . . . . . . . 5294 1 56 . 1 1 29 29 GLN HG2 H 1 2.07 . . 2 . . . . . . . . 5294 1 57 . 1 1 30 30 LYS N N 15 117.56 . . 1 . . . . . . . . 5294 1 58 . 1 1 30 30 LYS H H 1 8.16 . . 1 . . . . . . . . 5294 1 59 . 1 1 30 30 LYS C C 13 177.14 . . 1 . . . . . . . . 5294 1 60 . 1 1 30 30 LYS CA C 13 60.39 . . 1 . . . . . . . . 5294 1 61 . 1 1 30 30 LYS HA H 1 3.73 . . 1 . . . . . . . . 5294 1 62 . 1 1 30 30 LYS HB2 H 1 1.25 . . 2 . . . . . . . . 5294 1 63 . 1 1 31 31 ASP N N 15 111.98 . . 1 . . . . . . . . 5294 1 64 . 1 1 31 31 ASP H H 1 7.87 . . 1 . . . . . . . . 5294 1 65 . 1 1 31 31 ASP CA C 13 59.29 . . 1 . . . . . . . . 5294 1 66 . 1 1 31 31 ASP HA H 1 4.50 . . 1 . . . . . . . . 5294 1 67 . 1 1 31 31 ASP HB2 H 1 1.46 . . 2 . . . . . . . . 5294 1 68 . 1 1 31 31 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 5294 1 69 . 1 1 33 33 PHE N N 15 124.70 . . 1 . . . . . . . . 5294 1 70 . 1 1 33 33 PHE H H 1 7.19 . . 1 . . . . . . . . 5294 1 71 . 1 1 33 33 PHE C C 13 177.01 . . 1 . . . . . . . . 5294 1 72 . 1 1 33 33 PHE CA C 13 61.68 . . 1 . . . . . . . . 5294 1 73 . 1 1 33 33 PHE HA H 1 4.20 . . 1 . . . . . . . . 5294 1 74 . 1 1 33 33 PHE HB2 H 1 3.43 . . 2 . . . . . . . . 5294 1 75 . 1 1 33 33 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 5294 1 76 . 1 1 38 38 ILE N N 15 110.80 . . 1 . . . . . . . . 5294 1 77 . 1 1 38 38 ILE H H 1 7.44 . . 1 . . . . . . . . 5294 1 78 . 1 1 38 38 ILE C C 13 174.39 . . 1 . . . . . . . . 5294 1 79 . 1 1 38 38 ILE CA C 13 62.00 . . 1 . . . . . . . . 5294 1 80 . 1 1 38 38 ILE HA H 1 3.96 . . 1 . . . . . . . . 5294 1 81 . 1 1 39 39 GLU N N 15 130.23 . . 1 . . . . . . . . 5294 1 82 . 1 1 39 39 GLU H H 1 8.66 . . 1 . . . . . . . . 5294 1 83 . 1 1 39 39 GLU C C 13 175.10 . . 1 . . . . . . . . 5294 1 84 . 1 1 39 39 GLU CA C 13 55.70 . . 1 . . . . . . . . 5294 1 85 . 1 1 39 39 GLU HA H 1 4.45 . . 1 . . . . . . . . 5294 1 86 . 1 1 39 39 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 5294 1 87 . 1 1 39 39 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 5294 1 88 . 1 1 40 40 ILE N N 15 126.08 . . 1 . . . . . . . . 5294 1 89 . 1 1 40 40 ILE H H 1 8.27 . . 1 . . . . . . . . 5294 1 90 . 1 1 40 40 ILE C C 13 174.41 . . 1 . . . . . . . . 5294 1 91 . 1 1 40 40 ILE CA C 13 59.91 . . 1 . . . . . . . . 5294 1 92 . 1 1 40 40 ILE HA H 1 5.07 . . 1 . . . . . . . . 5294 1 93 . 1 1 40 40 ILE HB H 1 1.67 . . 2 . . . . . . . . 5294 1 94 . 1 1 40 40 ILE HG21 H 1 0.7 . . 4 . . . . . . . . 5294 1 95 . 1 1 40 40 ILE HG22 H 1 0.7 . . 4 . . . . . . . . 5294 1 96 . 1 1 40 40 ILE HG23 H 1 0.7 . . 4 . . . . . . . . 5294 1 97 . 1 1 40 40 ILE HD11 H 1 0.77 . . 4 . . . . . . . . 5294 1 98 . 1 1 40 40 ILE HD12 H 1 0.77 . . 4 . . . . . . . . 5294 1 99 . 1 1 40 40 ILE HD13 H 1 0.77 . . 4 . . . . . . . . 5294 1 100 . 1 1 41 41 LEU N N 15 129.75 . . 1 . . . . . . . . 5294 1 101 . 1 1 41 41 LEU H H 1 9.39 . . 1 . . . . . . . . 5294 1 102 . 1 1 41 41 LEU CA C 13 53.82 . . 1 . . . . . . . . 5294 1 103 . 1 1 41 41 LEU HA H 1 4.78 . . 1 . . . . . . . . 5294 1 104 . 1 1 41 41 LEU HB2 H 1 1.54 . . 2 . . . . . . . . 5294 1 105 . 1 1 41 41 LEU HB3 H 1 1.62 . . 2 . . . . . . . . 5294 1 106 . 1 1 41 41 LEU HD11 H 1 0.88 . . 4 . . . . . . . . 5294 1 107 . 1 1 41 41 LEU HD12 H 1 0.88 . . 4 . . . . . . . . 5294 1 108 . 1 1 41 41 LEU HD13 H 1 0.88 . . 4 . . . . . . . . 5294 1 109 . 1 1 42 42 ILE N N 15 124.70 . . 1 . . . . . . . . 5294 1 110 . 1 1 42 42 ILE H H 1 8.60 . . 1 . . . . . . . . 5294 1 111 . 1 1 42 42 ILE C C 13 175.39 . . 1 . . . . . . . . 5294 1 112 . 1 1 42 42 ILE CA C 13 60.4 . . 1 . . . . . . . . 5294 1 113 . 1 1 42 42 ILE HA H 1 4.77 . . 1 . . . . . . . . 5294 1 114 . 1 1 42 42 ILE HB H 1 1.77 . . 2 . . . . . . . . 5294 1 115 . 1 1 42 42 ILE HG21 H 1 0.85 . . 4 . . . . . . . . 5294 1 116 . 1 1 42 42 ILE HG22 H 1 0.85 . . 4 . . . . . . . . 5294 1 117 . 1 1 42 42 ILE HG23 H 1 0.85 . . 4 . . . . . . . . 5294 1 118 . 1 1 43 43 GLU N N 15 128.95 . . 1 . . . . . . . . 5294 1 119 . 1 1 43 43 GLU H H 1 8.38 . . 1 . . . . . . . . 5294 1 120 . 1 1 43 43 GLU C C 13 175.39 . . 1 . . . . . . . . 5294 1 121 . 1 1 43 43 GLU CA C 13 54.78 . . 1 . . . . . . . . 5294 1 122 . 1 1 43 43 GLU HA H 1 4.59 . . 1 . . . . . . . . 5294 1 123 . 1 1 43 43 GLU HB2 H 1 1.71 . . 2 . . . . . . . . 5294 1 124 . 1 1 43 43 GLU HG2 H 1 2.04 . . 2 . . . . . . . . 5294 1 125 . 1 1 44 44 GLY N N 15 114.75 . . 1 . . . . . . . . 5294 1 126 . 1 1 44 44 GLY H H 1 8.84 . . 1 . . . . . . . . 5294 1 127 . 1 1 44 44 GLY C C 13 173.76 . . 1 . . . . . . . . 5294 1 128 . 1 1 44 44 GLY CA C 13 47.54 . . 1 . . . . . . . . 5294 1 129 . 1 1 44 44 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 5294 1 130 . 1 1 44 44 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 5294 1 131 . 1 1 45 45 ASN N N 15 123.72 . . 1 . . . . . . . . 5294 1 132 . 1 1 45 45 ASN H H 1 8.57 . . 1 . . . . . . . . 5294 1 133 . 1 1 45 45 ASN C C 13 172.40 . . 1 . . . . . . . . 5294 1 134 . 1 1 45 45 ASN CA C 13 52.75 . . 1 . . . . . . . . 5294 1 135 . 1 1 45 45 ASN HA H 1 4.48 . . 1 . . . . . . . . 5294 1 136 . 1 1 45 45 ASN HB2 H 1 2.90 . . 2 . . . . . . . . 5294 1 137 . 1 1 45 45 ASN HB3 H 1 2.61 . . 2 . . . . . . . . 5294 1 138 . 1 1 46 46 ARG N N 15 115.74 . . 1 . . . . . . . . 5294 1 139 . 1 1 46 46 ARG H H 1 7.58 . . 1 . . . . . . . . 5294 1 140 . 1 1 46 46 ARG C C 13 173.68 . . 1 . . . . . . . . 5294 1 141 . 1 1 46 46 ARG CA C 13 55.25 . . 1 . . . . . . . . 5294 1 142 . 1 1 46 46 ARG HA H 1 4.81 . . 1 . . . . . . . . 5294 1 143 . 1 1 46 46 ARG HB2 H 1 1.53 . . 2 . . . . . . . . 5294 1 144 . 1 1 46 46 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 5294 1 145 . 1 1 47 47 THR N N 15 118.12 . . 1 . . . . . . . . 5294 1 146 . 1 1 47 47 THR H H 1 8.62 . . 1 . . . . . . . . 5294 1 147 . 1 1 47 47 THR C C 13 172.03 . . 1 . . . . . . . . 5294 1 148 . 1 1 47 47 THR CA C 13 62.88 . . 1 . . . . . . . . 5294 1 149 . 1 1 47 47 THR HA H 1 4.83 . . 1 . . . . . . . . 5294 1 150 . 1 1 47 47 THR HB H 1 3.92 . . 1 . . . . . . . . 5294 1 151 . 1 1 47 47 THR HG21 H 1 1.09 . . 1 . . . . . . . . 5294 1 152 . 1 1 47 47 THR HG22 H 1 1.09 . . 1 . . . . . . . . 5294 1 153 . 1 1 47 47 THR HG23 H 1 1.09 . . 1 . . . . . . . . 5294 1 154 . 1 1 48 48 ILE N N 15 126.58 . . 1 . . . . . . . . 5294 1 155 . 1 1 48 48 ILE H H 1 9.49 . . 1 . . . . . . . . 5294 1 156 . 1 1 48 48 ILE C C 13 175.86 . . 1 . . . . . . . . 5294 1 157 . 1 1 48 48 ILE CA C 13 59.90 . . 1 . . . . . . . . 5294 1 158 . 1 1 48 48 ILE HA H 1 5.03 . . 1 . . . . . . . . 5294 1 159 . 1 1 48 48 ILE HB H 1 1.82 . . 1 . . . . . . . . 5294 1 160 . 1 1 48 48 ILE HG21 H 1 0.69 . . 4 . . . . . . . . 5294 1 161 . 1 1 48 48 ILE HG22 H 1 0.69 . . 4 . . . . . . . . 5294 1 162 . 1 1 48 48 ILE HG23 H 1 0.69 . . 4 . . . . . . . . 5294 1 163 . 1 1 48 48 ILE HD11 H 1 0.76 . . 4 . . . . . . . . 5294 1 164 . 1 1 48 48 ILE HD12 H 1 0.76 . . 4 . . . . . . . . 5294 1 165 . 1 1 48 48 ILE HD13 H 1 0.76 . . 4 . . . . . . . . 5294 1 166 . 1 1 49 49 ILE N N 15 125.53 . . 1 . . . . . . . . 5294 1 167 . 1 1 49 49 ILE H H 1 9.12 . . 1 . . . . . . . . 5294 1 168 . 1 1 49 49 ILE C C 13 176.36 . . 1 . . . . . . . . 5294 1 169 . 1 1 49 49 ILE CA C 13 60.60 . . 1 . . . . . . . . 5294 1 170 . 1 1 49 49 ILE HA H 1 4.78 . . 1 . . . . . . . . 5294 1 171 . 1 1 49 49 ILE HB H 1 1.88 . . 1 . . . . . . . . 5294 1 172 . 1 1 49 49 ILE HG21 H 1 0.73 . . 4 . . . . . . . . 5294 1 173 . 1 1 49 49 ILE HG22 H 1 0.73 . . 4 . . . . . . . . 5294 1 174 . 1 1 49 49 ILE HG23 H 1 0.73 . . 4 . . . . . . . . 5294 1 175 . 1 1 49 49 ILE HD11 H 1 0.90 . . 4 . . . . . . . . 5294 1 176 . 1 1 49 49 ILE HD12 H 1 0.90 . . 4 . . . . . . . . 5294 1 177 . 1 1 49 49 ILE HD13 H 1 0.90 . . 4 . . . . . . . . 5294 1 178 . 1 1 50 50 ARG N N 15 128.90 . . 1 . . . . . . . . 5294 1 179 . 1 1 50 50 ARG H H 1 8.92 . . 1 . . . . . . . . 5294 1 180 . 1 1 50 50 ARG C C 13 180.26 . . 1 . . . . . . . . 5294 1 181 . 1 1 50 50 ARG CA C 13 59.46 . . 1 . . . . . . . . 5294 1 182 . 1 1 50 50 ARG HA H 1 3.79 . . 1 . . . . . . . . 5294 1 183 . 1 1 50 50 ARG HB2 H 1 1.63 . . 2 . . . . . . . . 5294 1 184 . 1 1 51 51 ASN N N 15 115.35 . . 1 . . . . . . . . 5294 1 185 . 1 1 51 51 ASN H H 1 8.49 . . 1 . . . . . . . . 5294 1 186 . 1 1 51 51 ASN C C 13 174.78 . . 1 . . . . . . . . 5294 1 187 . 1 1 51 51 ASN CA C 13 51.32 . . 1 . . . . . . . . 5294 1 188 . 1 1 51 51 ASN HA H 1 5.25 . . 1 . . . . . . . . 5294 1 189 . 1 1 51 51 ASN HB2 H 1 2.55 . . 2 . . . . . . . . 5294 1 190 . 1 1 51 51 ASN HB3 H 1 3.11 . . 2 . . . . . . . . 5294 1 191 . 1 1 51 51 ASN HD21 H 1 7.4 . . 2 . . . . . . . . 5294 1 192 . 1 1 51 51 ASN HD22 H 1 7.6 . . 2 . . . . . . . . 5294 1 193 . 1 1 52 52 PHE N N 15 120.22 . . 1 . . . . . . . . 5294 1 194 . 1 1 52 52 PHE H H 1 7.07 . . 1 . . . . . . . . 5294 1 195 . 1 1 52 52 PHE C C 13 175.49 . . 1 . . . . . . . . 5294 1 196 . 1 1 52 52 PHE CA C 13 63.75 . . 1 . . . . . . . . 5294 1 197 . 1 1 52 52 PHE HA H 1 3.75 . . 1 . . . . . . . . 5294 1 198 . 1 1 52 52 PHE HB2 H 1 2.86 . . 2 . . . . . . . . 5294 1 199 . 1 1 53 53 ARG N N 15 118.54 . . 1 . . . . . . . . 5294 1 200 . 1 1 53 53 ARG H H 1 8.41 . . 1 . . . . . . . . 5294 1 201 . 1 1 53 53 ARG CA C 13 60.08 . . 1 . . . . . . . . 5294 1 202 . 1 1 53 53 ARG HA H 1 3.72 . . 1 . . . . . . . . 5294 1 203 . 1 1 54 54 GLU N N 15 119.26 . . 1 . . . . . . . . 5294 1 204 . 1 1 54 54 GLU H H 1 8.1 . . 1 . . . . . . . . 5294 1 205 . 1 1 54 54 GLU HA H 1 3.90 . . 1 . . . . . . . . 5294 1 206 . 1 1 54 54 GLU HB2 H 1 2.32 . . 2 . . . . . . . . 5294 1 207 . 1 1 54 54 GLU HB3 H 1 2.14 . . 2 . . . . . . . . 5294 1 208 . 1 1 55 55 LEU N N 15 121.60 . . 1 . . . . . . . . 5294 1 209 . 1 1 55 55 LEU H H 1 7.79 . . 1 . . . . . . . . 5294 1 210 . 1 1 55 55 LEU CA C 13 58.24 . . 1 . . . . . . . . 5294 1 211 . 1 1 55 55 LEU HA H 1 3.89 . . 1 . . . . . . . . 5294 1 212 . 1 1 55 55 LEU HB2 H 1 1.54 . . 2 . . . . . . . . 5294 1 213 . 1 1 55 55 LEU HD11 H 1 0.76 . . 2 . . . . . . . . 5294 1 214 . 1 1 55 55 LEU HD12 H 1 0.76 . . 2 . . . . . . . . 5294 1 215 . 1 1 55 55 LEU HD13 H 1 0.76 . . 2 . . . . . . . . 5294 1 216 . 1 1 56 56 ALA N N 15 120.37 . . 1 . . . . . . . . 5294 1 217 . 1 1 56 56 ALA H H 1 8.05 . . 1 . . . . . . . . 5294 1 218 . 1 1 56 56 ALA C C 13 178.61 . . 1 . . . . . . . . 5294 1 219 . 1 1 56 56 ALA CA C 13 55.49 . . 1 . . . . . . . . 5294 1 220 . 1 1 56 56 ALA HA H 1 3.87 . . 1 . . . . . . . . 5294 1 221 . 1 1 56 56 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 5294 1 222 . 1 1 56 56 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 5294 1 223 . 1 1 56 56 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 5294 1 224 . 1 1 57 57 LYS N N 15 116.46 . . 1 . . . . . . . . 5294 1 225 . 1 1 57 57 LYS H H 1 8.15 . . 1 . . . . . . . . 5294 1 226 . 1 1 57 57 LYS C C 13 179.61 . . 1 . . . . . . . . 5294 1 227 . 1 1 57 57 LYS CA C 13 59.08 . . 1 . . . . . . . . 5294 1 228 . 1 1 57 57 LYS HA H 1 4.12 . . 1 . . . . . . . . 5294 1 229 . 1 1 58 58 ALA N N 15 121.82 . . 1 . . . . . . . . 5294 1 230 . 1 1 58 58 ALA H H 1 7.86 . . 1 . . . . . . . . 5294 1 231 . 1 1 58 58 ALA C C 13 178.66 . . 1 . . . . . . . . 5294 1 232 . 1 1 58 58 ALA CA C 13 55.01 . . 1 . . . . . . . . 5294 1 233 . 1 1 58 58 ALA HA H 1 4.19 . . 1 . . . . . . . . 5294 1 234 . 1 1 58 58 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 5294 1 235 . 1 1 58 58 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 5294 1 236 . 1 1 58 58 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 5294 1 237 . 1 1 59 59 VAL N N 15 106.45 . . 1 . . . . . . . . 5294 1 238 . 1 1 59 59 VAL H H 1 7.39 . . 1 . . . . . . . . 5294 1 239 . 1 1 59 59 VAL C C 13 177.83 . . 9 . . . . . . . . 5294 1 240 . 1 1 59 59 VAL CA C 13 60.40 . . 1 . . . . . . . . 5294 1 241 . 1 1 59 59 VAL HA H 1 4.27 . . 1 . . . . . . . . 5294 1 242 . 1 1 59 59 VAL HB H 1 2.36 . . 1 . . . . . . . . 5294 1 243 . 1 1 59 59 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 5294 1 244 . 1 1 59 59 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 5294 1 245 . 1 1 59 59 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 5294 1 246 . 1 1 60 60 ASN N N 15 118.62 . . 1 . . . . . . . . 5294 1 247 . 1 1 60 60 ASN H H 1 7.92 . . 1 . . . . . . . . 5294 1 248 . 1 1 60 60 ASN CA C 13 53.68 . . 1 . . . . . . . . 5294 1 249 . 1 1 60 60 ASN HA H 1 4.31 . . 1 . . . . . . . . 5294 1 250 . 1 1 60 60 ASN HB2 H 1 3.19 . . 2 . . . . . . . . 5294 1 251 . 1 1 60 60 ASN HB3 H 1 2.50 . . 2 . . . . . . . . 5294 1 252 . 1 1 60 60 ASN HD21 H 1 6.78 . . 2 . . . . . . . . 5294 1 253 . 1 1 60 60 ASN HD22 H 1 7.45 . . 2 . . . . . . . . 5294 1 254 . 1 1 61 61 ARG N N 15 115.20 . . 1 . . . . . . . . 5294 1 255 . 1 1 61 61 ARG H H 1 7.82 . . 1 . . . . . . . . 5294 1 256 . 1 1 61 61 ARG CA C 13 52.37 . . 1 . . . . . . . . 5294 1 257 . 1 1 61 61 ARG HB2 H 1 1.45 . . 2 . . . . . . . . 5294 1 258 . 1 1 62 62 ASP N N 15 120.70 . . 1 . . . . . . . . 5294 1 259 . 1 1 62 62 ASP H H 1 8.36 . . 1 . . . . . . . . 5294 1 260 . 1 1 62 62 ASP CA C 13 55.05 . . 1 . . . . . . . . 5294 1 261 . 1 1 62 62 ASP HA H 1 4.43 . . 1 . . . . . . . . 5294 1 262 . 1 1 62 62 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 5294 1 263 . 1 1 63 63 GLU N N 15 124.87 . . 1 . . . . . . . . 5294 1 264 . 1 1 63 63 GLU H H 1 8.97 . . 1 . . . . . . . . 5294 1 265 . 1 1 63 63 GLU CA C 13 60.49 . . 1 . . . . . . . . 5294 1 266 . 1 1 63 63 GLU HA H 1 3.83 . . 1 . . . . . . . . 5294 1 267 . 1 1 63 63 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 5294 1 268 . 1 1 63 63 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 5294 1 269 . 1 1 63 63 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 5294 1 270 . 1 1 64 64 GLU N N 15 119.50 . . 1 . . . . . . . . 5294 1 271 . 1 1 64 64 GLU H H 1 8.53 . . 1 . . . . . . . . 5294 1 272 . 1 1 64 64 GLU CA C 13 60.30 . . 1 . . . . . . . . 5294 1 273 . 1 1 64 64 GLU HA H 1 3.98 . . 1 . . . . . . . . 5294 1 274 . 1 1 64 64 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 5294 1 275 . 1 1 66 66 PHE N N 15 119.95 . . 1 . . . . . . . . 5294 1 276 . 1 1 66 66 PHE H H 1 8.24 . . 1 . . . . . . . . 5294 1 277 . 1 1 66 66 PHE CA C 13 57.03 . . 1 . . . . . . . . 5294 1 278 . 1 1 67 67 ALA N N 15 120.22 . . 1 . . . . . . . . 5294 1 279 . 1 1 67 67 ALA H H 1 8.81 . . 1 . . . . . . . . 5294 1 280 . 1 1 67 67 ALA CA C 13 55.85 . . 1 . . . . . . . . 5294 1 281 . 1 1 67 67 ALA HA H 1 3.48 . . 1 . . . . . . . . 5294 1 282 . 1 1 67 67 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 5294 1 283 . 1 1 67 67 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 5294 1 284 . 1 1 67 67 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 5294 1 285 . 1 1 68 68 LYS N N 15 116.36 . . 1 . . . . . . . . 5294 1 286 . 1 1 68 68 LYS H H 1 8.32 . . 1 . . . . . . . . 5294 1 287 . 1 1 68 68 LYS CA C 13 60.30 . . 1 . . . . . . . . 5294 1 288 . 1 1 68 68 LYS HA H 1 3.73 . . 1 . . . . . . . . 5294 1 289 . 1 1 69 69 TYR N N 15 120.27 . . 1 . . . . . . . . 5294 1 290 . 1 1 69 69 TYR H H 1 7.57 . . 1 . . . . . . . . 5294 1 291 . 1 1 69 69 TYR CA C 13 62.02 . . 1 . . . . . . . . 5294 1 292 . 1 1 69 69 TYR HA H 1 4.11 . . 1 . . . . . . . . 5294 1 293 . 1 1 69 69 TYR HB2 H 1 3.28 . . 2 . . . . . . . . 5294 1 294 . 1 1 69 69 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 5294 1 295 . 1 1 70 70 LEU N N 15 118.12 . . 1 . . . . . . . . 5294 1 296 . 1 1 70 70 LEU H H 1 7.77 . . 1 . . . . . . . . 5294 1 297 . 1 1 70 70 LEU CA C 13 58.00 . . 1 . . . . . . . . 5294 1 298 . 1 1 70 70 LEU HA H 1 3.77 . . 1 . . . . . . . . 5294 1 299 . 1 1 70 70 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 5294 1 300 . 1 1 70 70 LEU HD11 H 1 0.97 . . 2 . . . . . . . . 5294 1 301 . 1 1 70 70 LEU HD12 H 1 0.97 . . 2 . . . . . . . . 5294 1 302 . 1 1 70 70 LEU HD13 H 1 0.97 . . 2 . . . . . . . . 5294 1 303 . 1 1 70 70 LEU HD21 H 1 0.55 . . 2 . . . . . . . . 5294 1 304 . 1 1 70 70 LEU HD22 H 1 0.55 . . 2 . . . . . . . . 5294 1 305 . 1 1 70 70 LEU HD23 H 1 0.55 . . 2 . . . . . . . . 5294 1 306 . 1 1 71 71 LEU N N 15 121.32 . . 1 . . . . . . . . 5294 1 307 . 1 1 71 71 LEU H H 1 8.7 . . 1 . . . . . . . . 5294 1 308 . 1 1 71 71 LEU CA C 13 58.83 . . 1 . . . . . . . . 5294 1 309 . 1 1 71 71 LEU HA H 1 3.66 . . 1 . . . . . . . . 5294 1 310 . 1 1 71 71 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 5294 1 311 . 1 1 71 71 LEU HD11 H 1 0.54 . . 2 . . . . . . . . 5294 1 312 . 1 1 71 71 LEU HD12 H 1 0.54 . . 2 . . . . . . . . 5294 1 313 . 1 1 71 71 LEU HD13 H 1 0.54 . . 2 . . . . . . . . 5294 1 314 . 1 1 71 71 LEU HD21 H 1 0.44 . . 2 . . . . . . . . 5294 1 315 . 1 1 71 71 LEU HD22 H 1 0.44 . . 2 . . . . . . . . 5294 1 316 . 1 1 71 71 LEU HD23 H 1 0.44 . . 2 . . . . . . . . 5294 1 317 . 1 1 72 72 LYS N N 15 119.14 . . 1 . . . . . . . . 5294 1 318 . 1 1 72 72 LYS H H 1 7.88 . . 1 . . . . . . . . 5294 1 319 . 1 1 72 72 LYS C C 13 180.26 . . 1 . . . . . . . . 5294 1 320 . 1 1 72 72 LYS CA C 13 56.09 . . 1 . . . . . . . . 5294 1 321 . 1 1 72 72 LYS HA H 1 4.04 . . 1 . . . . . . . . 5294 1 322 . 1 1 73 73 GLU N N 15 115.78 . . 1 . . . . . . . . 5294 1 323 . 1 1 73 73 GLU H H 1 8.48 . . 1 . . . . . . . . 5294 1 324 . 1 1 73 73 GLU C C 13 177.50 . . 1 . . . . . . . . 5294 1 325 . 1 1 73 73 GLU CA C 13 57.93 . . 1 . . . . . . . . 5294 1 326 . 1 1 73 73 GLU HA H 1 4.07 . . 1 . . . . . . . . 5294 1 327 . 1 1 73 73 GLU HB2 H 1 1.44 . . 2 . . . . . . . . 5294 1 328 . 1 1 74 74 THR N N 15 105.51 . . 1 . . . . . . . . 5294 1 329 . 1 1 74 74 THR H H 1 7.5 . . 1 . . . . . . . . 5294 1 330 . 1 1 74 74 THR C C 13 174.78 . . 1 . . . . . . . . 5294 1 331 . 1 1 74 74 THR CA C 13 61.92 . . 1 . . . . . . . . 5294 1 332 . 1 1 74 74 THR HA H 1 4.39 . . 1 . . . . . . . . 5294 1 333 . 1 1 74 74 THR HB H 1 4.17 . . 1 . . . . . . . . 5294 1 334 . 1 1 74 74 THR HG21 H 1 1.06 . . 1 . . . . . . . . 5294 1 335 . 1 1 74 74 THR HG22 H 1 1.06 . . 1 . . . . . . . . 5294 1 336 . 1 1 74 74 THR HG23 H 1 1.06 . . 1 . . . . . . . . 5294 1 337 . 1 1 75 75 GLY N N 15 112.48 . . 1 . . . . . . . . 5294 1 338 . 1 1 75 75 GLY H H 1 7.57 . . 1 . . . . . . . . 5294 1 339 . 1 1 75 75 GLY C C 13 175.96 . . 1 . . . . . . . . 5294 1 340 . 1 1 75 75 GLY CA C 13 47.27 . . 1 . . . . . . . . 5294 1 341 . 1 1 75 75 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 5294 1 342 . 1 1 76 76 SER N N 15 114.86 . . 1 . . . . . . . . 5294 1 343 . 1 1 76 76 SER H H 1 8.1 . . 1 . . . . . . . . 5294 1 344 . 1 1 76 76 SER CA C 13 57.7 . . 1 . . . . . . . . 5294 1 345 . 1 1 76 76 SER HA H 1 4.64 . . 1 . . . . . . . . 5294 1 346 . 1 1 76 76 SER HB2 H 1 3.30 . . 2 . . . . . . . . 5294 1 347 . 1 1 76 76 SER HB3 H 1 3.56 . . 2 . . . . . . . . 5294 1 348 . 1 1 77 77 ALA N N 15 125.58 . . 1 . . . . . . . . 5294 1 349 . 1 1 77 77 ALA H H 1 8.27 . . 1 . . . . . . . . 5294 1 350 . 1 1 77 77 ALA C C 13 176.50 . . 1 . . . . . . . . 5294 1 351 . 1 1 77 77 ALA CA C 13 51.0 . . 1 . . . . . . . . 5294 1 352 . 1 1 77 77 ALA HA H 1 4.58 . . 1 . . . . . . . . 5294 1 353 . 1 1 77 77 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 5294 1 354 . 1 1 77 77 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 5294 1 355 . 1 1 77 77 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 5294 1 356 . 1 1 78 78 GLY N N 15 107.72 . . 1 . . . . . . . . 5294 1 357 . 1 1 78 78 GLY H H 1 8.2 . . 1 . . . . . . . . 5294 1 358 . 1 1 78 78 GLY C C 13 170.9 . . 1 . . . . . . . . 5294 1 359 . 1 1 78 78 GLY CA C 13 46.54 . . 1 . . . . . . . . 5294 1 360 . 1 1 78 78 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 5294 1 361 . 1 1 78 78 GLY HA3 H 1 4.49 . . 2 . . . . . . . . 5294 1 362 . 1 1 79 79 ASN N N 15 113.31 . . 1 . . . . . . . . 5294 1 363 . 1 1 79 79 ASN H H 1 8.58 . . 1 . . . . . . . . 5294 1 364 . 1 1 79 79 ASN C C 13 173.81 . . 1 . . . . . . . . 5294 1 365 . 1 1 79 79 ASN CA C 13 53.05 . . 1 . . . . . . . . 5294 1 366 . 1 1 79 79 ASN HA H 1 4.77 . . 1 . . . . . . . . 5294 1 367 . 1 1 79 79 ASN HB2 H 1 2.53 . . 2 . . . . . . . . 5294 1 368 . 1 1 79 79 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 5294 1 369 . 1 1 79 79 ASN HD21 H 1 7.20 . . 2 . . . . . . . . 5294 1 370 . 1 1 79 79 ASN HD22 H 1 6.86 . . 2 . . . . . . . . 5294 1 371 . 1 1 80 80 LEU N N 15 123.39 . . 1 . . . . . . . . 5294 1 372 . 1 1 80 80 LEU H H 1 8.48 . . 1 . . . . . . . . 5294 1 373 . 1 1 80 80 LEU C C 13 176.23 . . 1 . . . . . . . . 5294 1 374 . 1 1 80 80 LEU CA C 13 54.15 . . 1 . . . . . . . . 5294 1 375 . 1 1 80 80 LEU HA H 1 4.91 . . 1 . . . . . . . . 5294 1 376 . 1 1 80 80 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 5294 1 377 . 1 1 80 80 LEU HD11 H 1 0.73 . . 2 . . . . . . . . 5294 1 378 . 1 1 80 80 LEU HD12 H 1 0.73 . . 2 . . . . . . . . 5294 1 379 . 1 1 80 80 LEU HD13 H 1 0.73 . . 2 . . . . . . . . 5294 1 380 . 1 1 80 80 LEU HD21 H 1 0.78 . . 2 . . . . . . . . 5294 1 381 . 1 1 80 80 LEU HD22 H 1 0.78 . . 2 . . . . . . . . 5294 1 382 . 1 1 80 80 LEU HD23 H 1 0.78 . . 2 . . . . . . . . 5294 1 383 . 1 1 81 81 GLU N N 15 124.53 . . 1 . . . . . . . . 5294 1 384 . 1 1 81 81 GLU H H 1 8.61 . . 1 . . . . . . . . 5294 1 385 . 1 1 81 81 GLU C C 13 174.36 . . 1 . . . . . . . . 5294 1 386 . 1 1 81 81 GLU CA C 13 55.98 . . 1 . . . . . . . . 5294 1 387 . 1 1 81 81 GLU HA H 1 4.52 . . 1 . . . . . . . . 5294 1 388 . 1 1 81 81 GLU HB2 H 1 1.77 . . 2 . . . . . . . . 5294 1 389 . 1 1 82 82 GLY N N 15 117.11 . . 1 . . . . . . . . 5294 1 390 . 1 1 82 82 GLY H H 1 9.11 . . 1 . . . . . . . . 5294 1 391 . 1 1 82 82 GLY C C 13 174.49 . . 1 . . . . . . . . 5294 1 392 . 1 1 82 82 GLY CA C 13 47.43 . . 1 . . . . . . . . 5294 1 393 . 1 1 82 82 GLY HA2 H 1 4.71 . . 2 . . . . . . . . 5294 1 394 . 1 1 82 82 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 5294 1 395 . 1 1 83 83 GLY N N 15 108.60 . . 1 . . . . . . . . 5294 1 396 . 1 1 83 83 GLY H H 1 8.73 . . 1 . . . . . . . . 5294 1 397 . 1 1 83 83 GLY C C 13 172.16 . . 1 . . . . . . . . 5294 1 398 . 1 1 83 83 GLY CA C 13 45.84 . . 1 . . . . . . . . 5294 1 399 . 1 1 83 83 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 5294 1 400 . 1 1 83 83 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 5294 1 401 . 1 1 84 84 ARG N N 15 117.68 . . 1 . . . . . . . . 5294 1 402 . 1 1 84 84 ARG H H 1 7.88 . . 1 . . . . . . . . 5294 1 403 . 1 1 84 84 ARG CA C 13 54.50 . . 1 . . . . . . . . 5294 1 404 . 1 1 84 84 ARG HA H 1 4.93 . . 1 . . . . . . . . 5294 1 405 . 1 1 84 84 ARG HB2 H 1 1.77 . . 2 . . . . . . . . 5294 1 406 . 1 1 84 84 ARG HB3 H 1 2.02 . . 2 . . . . . . . . 5294 1 407 . 1 1 84 84 ARG HG2 H 1 3.23 . . 2 . . . . . . . . 5294 1 408 . 1 1 85 85 LEU N N 15 121.82 . . 1 . . . . . . . . 5294 1 409 . 1 1 85 85 LEU H H 1 7.69 . . 1 . . . . . . . . 5294 1 410 . 1 1 85 85 LEU C C 13 173.00 . . 1 . . . . . . . . 5294 1 411 . 1 1 85 85 LEU CA C 13 53.80 . . 1 . . . . . . . . 5294 1 412 . 1 1 85 85 LEU HA H 1 4.60 . . 1 . . . . . . . . 5294 1 413 . 1 1 85 85 LEU HB2 H 1 1.10 . . 2 . . . . . . . . 5294 1 414 . 1 1 85 85 LEU HG H 1 0.90 . . 1 . . . . . . . . 5294 1 415 . 1 1 85 85 LEU HD11 H 1 0.26 . . 2 . . . . . . . . 5294 1 416 . 1 1 85 85 LEU HD12 H 1 0.26 . . 2 . . . . . . . . 5294 1 417 . 1 1 85 85 LEU HD13 H 1 0.26 . . 2 . . . . . . . . 5294 1 418 . 1 1 85 85 LEU HD21 H 1 -0.02 . . 2 . . . . . . . . 5294 1 419 . 1 1 85 85 LEU HD22 H 1 -0.02 . . 2 . . . . . . . . 5294 1 420 . 1 1 85 85 LEU HD23 H 1 -0.02 . . 2 . . . . . . . . 5294 1 421 . 1 1 86 86 ILE N N 15 128.29 . . 1 . . . . . . . . 5294 1 422 . 1 1 86 86 ILE H H 1 8.7 . . 1 . . . . . . . . 5294 1 423 . 1 1 86 86 ILE C C 13 174.11 . . 1 . . . . . . . . 5294 1 424 . 1 1 86 86 ILE CA C 13 61.12 . . 1 . . . . . . . . 5294 1 425 . 1 1 86 86 ILE HA H 1 4.33 . . 1 . . . . . . . . 5294 1 426 . 1 1 86 86 ILE HB H 1 1.91 . . 1 . . . . . . . . 5294 1 427 . 1 1 86 86 ILE HG21 H 1 0.67 . . 4 . . . . . . . . 5294 1 428 . 1 1 86 86 ILE HG22 H 1 0.67 . . 4 . . . . . . . . 5294 1 429 . 1 1 86 86 ILE HG23 H 1 0.67 . . 4 . . . . . . . . 5294 1 430 . 1 1 87 87 LEU N N 15 125.76 . . 1 . . . . . . . . 5294 1 431 . 1 1 87 87 LEU H H 1 9.31 . . 1 . . . . . . . . 5294 1 432 . 1 1 87 87 LEU C C 13 177.25 . . 1 . . . . . . . . 5294 1 433 . 1 1 87 87 LEU CA C 13 55.01 . . 1 . . . . . . . . 5294 1 434 . 1 1 87 87 LEU HA H 1 4.80 . . 1 . . . . . . . . 5294 1 435 . 1 1 87 87 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 5294 1 436 . 1 1 88 88 GLN N N 15 123.81 . . 1 . . . . . . . . 5294 1 437 . 1 1 88 88 GLN H H 1 8.7 . . 1 . . . . . . . . 5294 1 438 . 1 1 88 88 GLN CA C 13 55.40 . . 1 . . . . . . . . 5294 1 439 . 1 1 88 88 GLN HA H 1 4.34 . . 1 . . . . . . . . 5294 1 440 . 1 1 88 88 GLN HB2 H 1 1.60 . . 2 . . . . . . . . 5294 1 441 . 1 1 88 88 GLN HB3 H 1 2.12 . . 2 . . . . . . . . 5294 1 442 . 1 1 88 88 GLN HG2 H 1 2.32 . . 2 . . . . . . . . 5294 1 443 . 1 1 88 88 GLN HE21 H 1 6.67 . . 2 . . . . . . . . 5294 1 444 . 1 1 88 88 GLN HE22 H 1 7.33 . . 2 . . . . . . . . 5294 1 445 . 1 1 89 89 ARG N N 15 119.00 . . 1 . . . . . . . . 5294 1 446 . 1 1 89 89 ARG H H 1 8.01 . . 1 . . . . . . . . 5294 1 447 . 1 1 89 89 ARG C C 13 174.36 . . 1 . . . . . . . . 5294 1 448 . 1 1 89 89 ARG CA C 13 55.83 . . 1 . . . . . . . . 5294 1 449 . 1 1 89 89 ARG HA H 1 4.00 . . 1 . . . . . . . . 5294 1 450 . 1 1 90 90 ARG N N 15 122.13 . . 1 . . . . . . . . 5294 1 451 . 1 1 90 90 ARG H H 1 8.41 . . 1 . . . . . . . . 5294 1 452 . 1 1 90 90 ARG C C 13 174.07 . . 1 . . . . . . . . 5294 1 453 . 1 1 90 90 ARG CA C 13 56.80 . . 1 . . . . . . . . 5294 1 454 . 1 1 90 90 ARG HA H 1 3.93 . . 1 . . . . . . . . 5294 1 455 . 1 1 90 90 ARG HB2 H 1 1.70 . . 2 . . . . . . . . 5294 1 456 . 1 1 90 90 ARG HB3 H 1 1.85 . . 4 . . . . . . . . 5294 1 457 . 1 1 90 90 ARG HG2 H 1 1.55 . . 4 . . . . . . . . 5294 1 458 . 1 1 90 90 ARG HG3 H 1 1.35 . . 4 . . . . . . . . 5294 1 459 . 1 1 91 91 ILE N N 15 128.51 . . 1 . . . . . . . . 5294 1 460 . 1 1 91 91 ILE H H 1 7.95 . . 1 . . . . . . . . 5294 1 461 . 1 1 91 91 ILE C C 13 174.45 . . 1 . . . . . . . . 5294 1 462 . 1 1 91 91 ILE CA C 13 59.54 . . 1 . . . . . . . . 5294 1 463 . 1 1 91 91 ILE HA H 1 4.21 . . 1 . . . . . . . . 5294 1 464 . 1 1 91 91 ILE HB H 1 1.50 . . 1 . . . . . . . . 5294 1 465 . 1 1 91 91 ILE HG12 H 1 1.74 . . 2 . . . . . . . . 5294 1 466 . 1 1 91 91 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 5294 1 467 . 1 1 91 91 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 5294 1 468 . 1 1 91 91 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 5294 1 469 . 1 1 91 91 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 5294 1 470 . 1 1 91 91 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 5294 1 471 . 1 1 91 91 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 5294 1 472 . 1 1 92 92 SER N N 15 120.20 . . 1 . . . . . . . . 5294 1 473 . 1 1 92 92 SER H H 1 8.24 . . 1 . . . . . . . . 5294 1 474 . 1 1 92 92 SER CA C 13 65.74 . . 1 . . . . . . . . 5294 1 475 . 1 1 93 93 PRO CA C 13 65.83 . . 1 . . . . . . . . 5294 1 476 . 1 1 93 93 PRO HA H 1 4.05 . . 1 . . . . . . . . 5294 1 477 . 1 1 93 93 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 5294 1 478 . 1 1 93 93 PRO HB3 H 1 2.05 . . 2 . . . . . . . . 5294 1 479 . 1 1 94 94 GLU N N 15 115.56 . . 1 . . . . . . . . 5294 1 480 . 1 1 94 94 GLU H H 1 8.43 . . 1 . . . . . . . . 5294 1 481 . 1 1 94 94 GLU C C 13 177.51 . . 1 . . . . . . . . 5294 1 482 . 1 1 94 94 GLU CA C 13 59.97 . . 1 . . . . . . . . 5294 1 483 . 1 1 94 94 GLU HA H 1 3.95 . . 1 . . . . . . . . 5294 1 484 . 1 1 94 94 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 5294 1 485 . 1 1 94 94 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 5294 1 486 . 1 1 95 95 LEU N N 15 122.76 . . 1 . . . . . . . . 5294 1 487 . 1 1 95 95 LEU H H 1 7.49 . . 1 . . . . . . . . 5294 1 488 . 1 1 95 95 LEU C C 13 178.64 . . 1 . . . . . . . . 5294 1 489 . 1 1 95 95 LEU CA C 13 57.90 . . 1 . . . . . . . . 5294 1 490 . 1 1 95 95 LEU HA H 1 4.20 . . 1 . . . . . . . . 5294 1 491 . 1 1 95 95 LEU HB2 H 1 1.82 . . 2 . . . . . . . . 5294 1 492 . 1 1 95 95 LEU HG H 1 1.74 . . 1 . . . . . . . . 5294 1 493 . 1 1 95 95 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 5294 1 494 . 1 1 95 95 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 5294 1 495 . 1 1 95 95 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 5294 1 496 . 1 1 95 95 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 5294 1 497 . 1 1 95 95 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 5294 1 498 . 1 1 95 95 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 5294 1 499 . 1 1 96 96 LEU H H 1 7.82 . . 1 . . . . . . . . 5294 1 500 . 1 1 96 96 LEU C C 13 178.23 . . 1 . . . . . . . . 5294 1 501 . 1 1 96 96 LEU CA C 13 58.35 . . 1 . . . . . . . . 5294 1 502 . 1 1 97 97 LYS N N 15 117.40 . . 1 . . . . . . . . 5294 1 503 . 1 1 97 97 LYS H H 1 8.55 . . 1 . . . . . . . . 5294 1 504 . 1 1 97 97 LYS C C 13 178.04 . . 1 . . . . . . . . 5294 1 505 . 1 1 97 97 LYS CA C 13 61.00 . . 1 . . . . . . . . 5294 1 506 . 1 1 97 97 LYS HA H 1 3.80 . . 1 . . . . . . . . 5294 1 507 . 1 1 97 97 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 5294 1 508 . 1 1 98 98 SER N N 15 115.80 . . 1 . . . . . . . . 5294 1 509 . 1 1 98 98 SER H H 1 7.91 . . 1 . . . . . . . . 5294 1 510 . 1 1 98 98 SER C C 13 179.00 . . 1 . . . . . . . . 5294 1 511 . 1 1 98 98 SER CA C 13 62.88 . . 1 . . . . . . . . 5294 1 512 . 1 1 98 98 SER HA H 1 4.13 . . 1 . . . . . . . . 5294 1 513 . 1 1 98 98 SER HB2 H 1 4.32 . . 2 . . . . . . . . 5294 1 514 . 1 1 99 99 ARG H H 1 8.08 . . 1 . . . . . . . . 5294 1 515 . 1 1 99 99 ARG CA C 13 55.88 . . 1 . . . . . . . . 5294 1 516 . 1 1 100 100 ILE N N 15 121.42 . . 1 . . . . . . . . 5294 1 517 . 1 1 100 100 ILE H H 1 8.42 . . 1 . . . . . . . . 5294 1 518 . 1 1 100 100 ILE CA C 13 58.87 . . 1 . . . . . . . . 5294 1 519 . 1 1 100 100 ILE HA H 1 3.84 . . 1 . . . . . . . . 5294 1 520 . 1 1 101 101 ASN N N 15 119.00 . . 1 . . . . . . . . 5294 1 521 . 1 1 101 101 ASN H H 1 8.19 . . 1 . . . . . . . . 5294 1 522 . 1 1 101 101 ASN HA H 1 4.56 . . 1 . . . . . . . . 5294 1 523 . 1 1 103 103 PHE N N 15 122.47 . . 1 . . . . . . . . 5294 1 524 . 1 1 103 103 PHE H H 1 8.2 . . 1 . . . . . . . . 5294 1 525 . 1 1 103 103 PHE C C 13 176.80 . . 1 . . . . . . . . 5294 1 526 . 1 1 103 103 PHE CA C 13 62.18 . . 1 . . . . . . . . 5294 1 527 . 1 1 103 103 PHE HA H 1 3.61 . . 1 . . . . . . . . 5294 1 528 . 1 1 103 103 PHE HB2 H 1 3.02 . . 2 . . . . . . . . 5294 1 529 . 1 1 103 103 PHE HB3 H 1 3.35 . . 2 . . . . . . . . 5294 1 530 . 1 1 104 104 LEU N N 15 117.62 . . 1 . . . . . . . . 5294 1 531 . 1 1 104 104 LEU H H 1 8.39 . . 1 . . . . . . . . 5294 1 532 . 1 1 104 104 LEU C C 13 178.98 . . 1 . . . . . . . . 5294 1 533 . 1 1 104 104 LEU CA C 13 57.90 . . 1 . . . . . . . . 5294 1 534 . 1 1 104 104 LEU HA H 1 4.45 . . 1 . . . . . . . . 5294 1 535 . 1 1 105 105 ARG H H 1 8.08 . . 1 . . . . . . . . 5294 1 536 . 1 1 105 105 ARG CA C 13 56.80 . . 1 . . . . . . . . 5294 1 537 . 1 1 105 105 ARG HA H 1 4.06 . . 1 . . . . . . . . 5294 1 538 . 1 1 106 106 GLU C C 13 177.22 . . 1 . . . . . . . . 5294 1 539 . 1 1 106 106 GLU CA C 13 57.87 . . 1 . . . . . . . . 5294 1 540 . 1 1 107 107 TYR N N 15 110.21 . . 1 . . . . . . . . 5294 1 541 . 1 1 107 107 TYR H H 1 7.93 . . 1 . . . . . . . . 5294 1 542 . 1 1 107 107 TYR C C 13 175.04 . . 1 . . . . . . . . 5294 1 543 . 1 1 107 107 TYR CA C 13 58.59 . . 1 . . . . . . . . 5294 1 544 . 1 1 107 107 TYR HA H 1 4.44 . . 1 . . . . . . . . 5294 1 545 . 1 1 107 107 TYR HB2 H 1 2.70 . . 2 . . . . . . . . 5294 1 546 . 1 1 107 107 TYR HB3 H 1 3.18 . . 2 . . . . . . . . 5294 1 547 . 1 1 107 107 TYR HD1 H 1 6.54 . . 3 . . . . . . . . 5294 1 548 . 1 1 107 107 TYR HE1 H 1 6.81 . . 3 . . . . . . . . 5294 1 549 . 1 1 108 108 VAL N N 15 117.68 . . 1 . . . . . . . . 5294 1 550 . 1 1 108 108 VAL H H 1 7.44 . . 1 . . . . . . . . 5294 1 551 . 1 1 108 108 VAL CA C 13 64.70 . . 1 . . . . . . . . 5294 1 552 . 1 1 108 108 VAL HA H 1 3.89 . . 1 . . . . . . . . 5294 1 553 . 1 1 108 108 VAL HB H 1 2.06 . . 1 . . . . . . . . 5294 1 554 . 1 1 108 108 VAL HG11 H 1 0.54 . . 2 . . . . . . . . 5294 1 555 . 1 1 108 108 VAL HG12 H 1 0.54 . . 2 . . . . . . . . 5294 1 556 . 1 1 108 108 VAL HG13 H 1 0.54 . . 2 . . . . . . . . 5294 1 557 . 1 1 108 108 VAL HG21 H 1 0.78 . . 2 . . . . . . . . 5294 1 558 . 1 1 108 108 VAL HG22 H 1 0.78 . . 2 . . . . . . . . 5294 1 559 . 1 1 108 108 VAL HG23 H 1 0.78 . . 2 . . . . . . . . 5294 1 560 . 1 1 109 109 ILE N N 15 119.90 . . 1 . . . . . . . . 5294 1 561 . 1 1 109 109 ILE H H 1 8.01 . . 1 . . . . . . . . 5294 1 562 . 1 1 109 109 ILE C C 13 175.36 . . 1 . . . . . . . . 5294 1 563 . 1 1 109 109 ILE CA C 13 61.00 . . 1 . . . . . . . . 5294 1 564 . 1 1 109 109 ILE HA H 1 3.51 . . 1 . . . . . . . . 5294 1 565 . 1 1 109 109 ILE HB H 1 1.04 . . 1 . . . . . . . . 5294 1 566 . 1 1 109 109 ILE HG21 H 1 0.55 . . 4 . . . . . . . . 5294 1 567 . 1 1 109 109 ILE HG22 H 1 0.55 . . 4 . . . . . . . . 5294 1 568 . 1 1 109 109 ILE HG23 H 1 0.55 . . 4 . . . . . . . . 5294 1 569 . 1 1 110 110 CYS N N 15 131.24 . . 1 . . . . . . . . 5294 1 570 . 1 1 110 110 CYS H H 1 8.45 . . 1 . . . . . . . . 5294 1 571 . 1 1 110 110 CYS C C 13 173.50 . . 1 . . . . . . . . 5294 1 572 . 1 1 110 110 CYS CA C 13 60.65 . . 1 . . . . . . . . 5294 1 573 . 1 1 110 110 CYS HA H 1 3.88 . . 1 . . . . . . . . 5294 1 574 . 1 1 110 110 CYS HB2 H 1 3.13 . . 2 . . . . . . . . 5294 1 575 . 1 1 111 111 ARG N N 15 130.72 . . 1 . . . . . . . . 5294 1 576 . 1 1 111 111 ARG H H 1 9.07 . . 1 . . . . . . . . 5294 1 577 . 1 1 111 111 ARG C C 13 175.86 . . 1 . . . . . . . . 5294 1 578 . 1 1 111 111 ARG CA C 13 58.08 . . 1 . . . . . . . . 5294 1 579 . 1 1 111 111 ARG HA H 1 3.98 . . 1 . . . . . . . . 5294 1 580 . 1 1 111 111 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 5294 1 581 . 1 1 111 111 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 5294 1 582 . 1 1 112 112 GLU N N 15 120.72 . . 1 . . . . . . . . 5294 1 583 . 1 1 112 112 GLU H H 1 9.14 . . 1 . . . . . . . . 5294 1 584 . 1 1 112 112 GLU C C 13 177.17 . . 1 . . . . . . . . 5294 1 585 . 1 1 112 112 GLU CA C 13 57.87 . . 1 . . . . . . . . 5294 1 586 . 1 1 112 112 GLU HA H 1 4.34 . . 1 . . . . . . . . 5294 1 587 . 1 1 112 112 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 5294 1 588 . 1 1 112 112 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 5294 1 589 . 1 1 113 113 CYS N N 15 118.89 . . 1 . . . . . . . . 5294 1 590 . 1 1 113 113 CYS H H 1 8.8 . . 1 . . . . . . . . 5294 1 591 . 1 1 113 113 CYS C C 13 176.17 . . 1 . . . . . . . . 5294 1 592 . 1 1 113 113 CYS CA C 13 58.6 . . 1 . . . . . . . . 5294 1 593 . 1 1 113 113 CYS HA H 1 5.00 . . 1 . . . . . . . . 5294 1 594 . 1 1 113 113 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 5294 1 595 . 1 1 113 113 CYS HB3 H 1 2.69 . . 2 . . . . . . . . 5294 1 596 . 1 1 114 114 GLY N N 15 109.64 . . 1 . . . . . . . . 5294 1 597 . 1 1 114 114 GLY H H 1 8.37 . . 1 . . . . . . . . 5294 1 598 . 1 1 114 114 GLY CA C 13 45.34 . . 1 . . . . . . . . 5294 1 599 . 1 1 114 114 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 5294 1 600 . 1 1 115 115 LYS N N 15 125.25 . . 1 . . . . . . . . 5294 1 601 . 1 1 115 115 LYS H H 1 7.99 . . 1 . . . . . . . . 5294 1 602 . 1 1 115 115 LYS CA C 13 52.37 . . 1 . . . . . . . . 5294 1 603 . 1 1 115 115 LYS HA H 1 4.35 . . 2 . . . . . . . . 5294 1 604 . 1 1 115 115 LYS HB2 H 1 1.33 . . 2 . . . . . . . . 5294 1 605 . 1 1 117 117 ASP N N 15 123.11 . . 1 . . . . . . . . 5294 1 606 . 1 1 117 117 ASP H H 1 6.74 . . 1 . . . . . . . . 5294 1 607 . 1 1 117 117 ASP C C 13 176.67 . . 1 . . . . . . . . 5294 1 608 . 1 1 117 117 ASP CA C 13 53.35 . . 1 . . . . . . . . 5294 1 609 . 1 1 117 117 ASP HA H 1 4.74 . . 1 . . . . . . . . 5294 1 610 . 1 1 117 117 ASP HB2 H 1 2.36 . . 2 . . . . . . . . 5294 1 611 . 1 1 117 117 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 5294 1 612 . 1 1 118 118 THR N N 15 110.48 . . 1 . . . . . . . . 5294 1 613 . 1 1 118 118 THR H H 1 8.25 . . 1 . . . . . . . . 5294 1 614 . 1 1 118 118 THR C C 13 174.63 . . 1 . . . . . . . . 5294 1 615 . 1 1 118 118 THR CA C 13 58.95 . . 1 . . . . . . . . 5294 1 616 . 1 1 118 118 THR HA H 1 5.35 . . 1 . . . . . . . . 5294 1 617 . 1 1 118 118 THR HB H 1 3.80 . . 1 . . . . . . . . 5294 1 618 . 1 1 118 118 THR HG21 H 1 1.01 . . 1 . . . . . . . . 5294 1 619 . 1 1 118 118 THR HG22 H 1 1.01 . . 1 . . . . . . . . 5294 1 620 . 1 1 118 118 THR HG23 H 1 1.01 . . 1 . . . . . . . . 5294 1 621 . 1 1 119 119 LYS N N 15 121.80 . . 1 . . . . . . . . 5294 1 622 . 1 1 119 119 LYS H H 1 9.28 . . 1 . . . . . . . . 5294 1 623 . 1 1 119 119 LYS CA C 13 54.89 . . 1 . . . . . . . . 5294 1 624 . 1 1 119 119 LYS HA H 1 4.75 . . 1 . . . . . . . . 5294 1 625 . 1 1 119 119 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 5294 1 626 . 1 1 119 119 LYS HG2 H 1 1.36 . . 2 . . . . . . . . 5294 1 627 . 1 1 120 120 ILE H H 1 8.58 . . 1 . . . . . . . . 5294 1 628 . 1 1 120 120 ILE CA C 13 55.73 . . 1 . . . . . . . . 5294 1 629 . 1 1 120 120 ILE HA H 1 4.87 . . 1 . . . . . . . . 5294 1 630 . 1 1 121 121 ILE N N 15 126.96 . . 1 . . . . . . . . 5294 1 631 . 1 1 121 121 ILE H H 1 9.38 . . 1 . . . . . . . . 5294 1 632 . 1 1 121 121 ILE C C 13 173.42 . . 1 . . . . . . . . 5294 1 633 . 1 1 121 121 ILE CA C 13 59.39 . . 1 . . . . . . . . 5294 1 634 . 1 1 121 121 ILE HA H 1 4.56 . . 1 . . . . . . . . 5294 1 635 . 1 1 121 121 ILE HB H 1 1.84 . . 1 . . . . . . . . 5294 1 636 . 1 1 121 121 ILE HG21 H 1 0.81 . . 4 . . . . . . . . 5294 1 637 . 1 1 121 121 ILE HG22 H 1 0.81 . . 4 . . . . . . . . 5294 1 638 . 1 1 121 121 ILE HG23 H 1 0.81 . . 4 . . . . . . . . 5294 1 639 . 1 1 122 122 LYS N N 15 124.05 . . 1 . . . . . . . . 5294 1 640 . 1 1 122 122 LYS H H 1 8.38 . . 1 . . . . . . . . 5294 1 641 . 1 1 122 122 LYS C C 13 175.04 . . 1 . . . . . . . . 5294 1 642 . 1 1 122 122 LYS CA C 13 55.37 . . 1 . . . . . . . . 5294 1 643 . 1 1 122 122 LYS HA H 1 4.60 . . 1 . . . . . . . . 5294 1 644 . 1 1 122 122 LYS HB2 H 1 1.29 . . 2 . . . . . . . . 5294 1 645 . 1 1 122 122 LYS HB3 H 1 1.56 . . 2 . . . . . . . . 5294 1 646 . 1 1 123 123 GLU N N 15 127.96 . . 1 . . . . . . . . 5294 1 647 . 1 1 123 123 GLU H H 1 8.5 . . 1 . . . . . . . . 5294 1 648 . 1 1 123 123 GLU C C 13 175.46 . . 1 . . . . . . . . 5294 1 649 . 1 1 123 123 GLU CA C 13 55.37 . . 1 . . . . . . . . 5294 1 650 . 1 1 123 123 GLU HA H 1 4.45 . . 1 . . . . . . . . 5294 1 651 . 1 1 123 123 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 5294 1 652 . 1 1 123 123 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 5294 1 653 . 1 1 123 123 GLU HG2 H 1 1.65 . . 2 . . . . . . . . 5294 1 654 . 1 1 123 123 GLU HG3 H 1 1.83 . . 2 . . . . . . . . 5294 1 655 . 1 1 124 124 GLY N N 15 116.08 . . 1 . . . . . . . . 5294 1 656 . 1 1 124 124 GLY H H 1 8.76 . . 1 . . . . . . . . 5294 1 657 . 1 1 124 124 GLY CA C 13 46.8 . . 1 . . . . . . . . 5294 1 658 . 1 1 124 124 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 5294 1 659 . 1 1 124 124 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 5294 1 660 . 1 1 125 125 ARG N N 15 124.55 . . 1 . . . . . . . . 5294 1 661 . 1 1 125 125 ARG H H 1 8.83 . . 1 . . . . . . . . 5294 1 662 . 1 1 125 125 ARG C C 13 175.41 . . 1 . . . . . . . . 5294 1 663 . 1 1 125 125 ARG CA C 13 56.51 . . 1 . . . . . . . . 5294 1 664 . 1 1 125 125 ARG HA H 1 4.30 . . 1 . . . . . . . . 5294 1 665 . 1 1 125 125 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 5294 1 666 . 1 1 126 126 VAL N N 15 119.50 . . 1 . . . . . . . . 5294 1 667 . 1 1 126 126 VAL H H 1 7.75 . . 1 . . . . . . . . 5294 1 668 . 1 1 126 126 VAL C C 13 173.44 . . 1 . . . . . . . . 5294 1 669 . 1 1 126 126 VAL CA C 13 61.92 . . 1 . . . . . . . . 5294 1 670 . 1 1 126 126 VAL HA H 1 4.29 . . 1 . . . . . . . . 5294 1 671 . 1 1 126 126 VAL HB H 1 2.21 . . 1 . . . . . . . . 5294 1 672 . 1 1 126 126 VAL HG11 H 1 1.83 . . 2 . . . . . . . . 5294 1 673 . 1 1 126 126 VAL HG12 H 1 1.83 . . 2 . . . . . . . . 5294 1 674 . 1 1 126 126 VAL HG13 H 1 1.83 . . 2 . . . . . . . . 5294 1 675 . 1 1 126 126 VAL HG21 H 1 1.65 . . 2 . . . . . . . . 5294 1 676 . 1 1 126 126 VAL HG22 H 1 1.65 . . 2 . . . . . . . . 5294 1 677 . 1 1 126 126 VAL HG23 H 1 1.65 . . 2 . . . . . . . . 5294 1 678 . 1 1 127 127 HIS N N 15 123.15 . . 1 . . . . . . . . 5294 1 679 . 1 1 127 127 HIS H H 1 8.51 . . 1 . . . . . . . . 5294 1 680 . 1 1 127 127 HIS C C 13 173.86 . . 1 . . . . . . . . 5294 1 681 . 1 1 127 127 HIS CA C 13 56.1 . . 1 . . . . . . . . 5294 1 682 . 1 1 127 127 HIS HA H 1 5.18 . . 1 . . . . . . . . 5294 1 683 . 1 1 127 127 HIS HB2 H 1 2.72 . . 2 . . . . . . . . 5294 1 684 . 1 1 127 127 HIS HB3 H 1 2.98 . . 2 . . . . . . . . 5294 1 685 . 1 1 127 127 HIS HD1 H 1 6.68 . . 4 . . . . . . . . 5294 1 686 . 1 1 127 127 HIS HE1 H 1 7.65 . . 4 . . . . . . . . 5294 1 687 . 1 1 128 128 LEU N N 15 121.33 . . 1 . . . . . . . . 5294 1 688 . 1 1 128 128 LEU H H 1 9.13 . . 1 . . . . . . . . 5294 1 689 . 1 1 128 128 LEU C C 13 173.79 . . 1 . . . . . . . . 5294 1 690 . 1 1 128 128 LEU CA C 13 53.30 . . 1 . . . . . . . . 5294 1 691 . 1 1 128 128 LEU HA H 1 4.96 . . 1 . . . . . . . . 5294 1 692 . 1 1 128 128 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 5294 1 693 . 1 1 128 128 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 5294 1 694 . 1 1 128 128 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 5294 1 695 . 1 1 128 128 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 5294 1 696 . 1 1 128 128 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 5294 1 697 . 1 1 128 128 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 5294 1 698 . 1 1 128 128 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 5294 1 699 . 1 1 129 129 LEU N N 15 123.11 . . 1 . . . . . . . . 5294 1 700 . 1 1 129 129 LEU H H 1 9.14 . . 1 . . . . . . . . 5294 1 701 . 1 1 129 129 LEU C C 13 174.70 . . 1 . . . . . . . . 5294 1 702 . 1 1 129 129 LEU CA C 13 53.82 . . 1 . . . . . . . . 5294 1 703 . 1 1 129 129 LEU HA H 1 4.85 . . 1 . . . . . . . . 5294 1 704 . 1 1 129 129 LEU HB2 H 1 1.77 . . 2 . . . . . . . . 5294 1 705 . 1 1 130 130 LYS N N 15 129.34 . . 1 . . . . . . . . 5294 1 706 . 1 1 130 130 LYS H H 1 9.25 . . 1 . . . . . . . . 5294 1 707 . 1 1 130 130 LYS C C 13 173.50 . . 1 . . . . . . . . 5294 1 708 . 1 1 130 130 LYS CA C 13 54.20 . . 1 . . . . . . . . 5294 1 709 . 1 1 130 130 LYS HA H 1 4.94 . . 1 . . . . . . . . 5294 1 710 . 1 1 130 130 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 5294 1 711 . 1 1 131 131 CYS N N 15 128.79 . . 1 . . . . . . . . 5294 1 712 . 1 1 131 131 CYS H H 1 9.02 . . 1 . . . . . . . . 5294 1 713 . 1 1 131 131 CYS C C 13 177.17 . . 1 . . . . . . . . 5294 1 714 . 1 1 131 131 CYS CA C 13 59.60 . . 1 . . . . . . . . 5294 1 715 . 1 1 131 131 CYS HA H 1 4.44 . . 1 . . . . . . . . 5294 1 716 . 1 1 131 131 CYS HB2 H 1 2.73 . . 2 . . . . . . . . 5294 1 717 . 1 1 131 131 CYS HB3 H 1 3.27 . . 2 . . . . . . . . 5294 1 718 . 1 1 132 132 MET N N 15 128.95 . . 1 . . . . . . . . 5294 1 719 . 1 1 132 132 MET H H 1 9.37 . . 1 . . . . . . . . 5294 1 720 . 1 1 132 132 MET C C 13 174.21 . . 1 . . . . . . . . 5294 1 721 . 1 1 132 132 MET CA C 13 55.93 . . 1 . . . . . . . . 5294 1 722 . 1 1 132 132 MET HA H 1 4.40 . . 1 . . . . . . . . 5294 1 723 . 1 1 132 132 MET HB2 H 1 2.02 . . 2 . . . . . . . . 5294 1 724 . 1 1 132 132 MET HB3 H 1 2.33 . . 2 . . . . . . . . 5294 1 725 . 1 1 133 133 ALA N N 15 126.58 . . 1 . . . . . . . . 5294 1 726 . 1 1 133 133 ALA H H 1 9.33 . . 1 . . . . . . . . 5294 1 727 . 1 1 133 133 ALA C C 13 178.09 . . 1 . . . . . . . . 5294 1 728 . 1 1 133 133 ALA CA C 13 54.66 . . 1 . . . . . . . . 5294 1 729 . 1 1 133 133 ALA HA H 1 4.44 . . 1 . . . . . . . . 5294 1 730 . 1 1 133 133 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 5294 1 731 . 1 1 133 133 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 5294 1 732 . 1 1 133 133 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 5294 1 733 . 1 1 134 134 CYS N N 15 120.83 . . 1 . . . . . . . . 5294 1 734 . 1 1 134 134 CYS H H 1 9.7 . . 1 . . . . . . . . 5294 1 735 . 1 1 134 134 CYS C C 13 176.42 . . 1 . . . . . . . . 5294 1 736 . 1 1 134 134 CYS CA C 13 58.83 . . 1 . . . . . . . . 5294 1 737 . 1 1 134 134 CYS HA H 1 5.01 . . 1 . . . . . . . . 5294 1 738 . 1 1 134 134 CYS HB2 H 1 2.57 . . 2 . . . . . . . . 5294 1 739 . 1 1 134 134 CYS HB3 H 1 3.27 . . 2 . . . . . . . . 5294 1 740 . 1 1 135 135 GLY N N 15 112.42 . . 1 . . . . . . . . 5294 1 741 . 1 1 135 135 GLY H H 1 7.3 . . 1 . . . . . . . . 5294 1 742 . 1 1 135 135 GLY C C 13 173.44 . . 1 . . . . . . . . 5294 1 743 . 1 1 135 135 GLY CA C 13 46.08 . . 1 . . . . . . . . 5294 1 744 . 1 1 135 135 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 5294 1 745 . 1 1 135 135 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 5294 1 746 . 1 1 136 136 ALA N N 15 126.91 . . 1 . . . . . . . . 5294 1 747 . 1 1 136 136 ALA H H 1 8.86 . . 1 . . . . . . . . 5294 1 748 . 1 1 136 136 ALA CA C 13 54.18 . . 1 . . . . . . . . 5294 1 749 . 1 1 136 136 ALA HA H 1 4.20 . . 1 . . . . . . . . 5294 1 750 . 1 1 136 136 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 5294 1 751 . 1 1 136 136 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 5294 1 752 . 1 1 136 136 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 5294 1 753 . 1 1 137 137 ILE N N 15 119.35 . . 1 . . . . . . . . 5294 1 754 . 1 1 137 137 ILE H H 1 8.3 . . 1 . . . . . . . . 5294 1 755 . 1 1 137 137 ILE C C 13 175.07 . . 1 . . . . . . . . 5294 1 756 . 1 1 137 137 ILE CA C 13 59.70 . . 1 . . . . . . . . 5294 1 757 . 1 1 137 137 ILE HA H 1 5.41 . . 1 . . . . . . . . 5294 1 758 . 1 1 137 137 ILE HB H 1 1.58 . . 1 . . . . . . . . 5294 1 759 . 1 1 137 137 ILE HG21 H 1 0.82 . . 4 . . . . . . . . 5294 1 760 . 1 1 137 137 ILE HG22 H 1 0.82 . . 4 . . . . . . . . 5294 1 761 . 1 1 137 137 ILE HG23 H 1 0.82 . . 4 . . . . . . . . 5294 1 762 . 1 1 138 138 ARG N N 15 123.15 . . 1 . . . . . . . . 5294 1 763 . 1 1 138 138 ARG H H 1 8.42 . . 1 . . . . . . . . 5294 1 764 . 1 1 138 138 ARG CA C 13 55.73 . . 1 . . . . . . . . 5294 1 765 . 1 1 138 138 ARG HA H 1 5.03 . . 1 . . . . . . . . 5294 1 766 . 1 1 140 140 ILE N N 15 115.80 . . 1 . . . . . . . . 5294 1 767 . 1 1 140 140 ILE H H 1 8.11 . . 1 . . . . . . . . 5294 1 768 . 1 1 140 140 ILE CA C 13 59.30 . . 1 . . . . . . . . 5294 1 769 . 1 1 140 140 ILE HA H 1 4.17 . . 1 . . . . . . . . 5294 1 stop_ save_