data_15913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15913 _Entry.Title ; Solution Structure of the IsdC NEAT domain bound to Zinc Protoporphyrin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-07 _Entry.Accession_date 2008-08-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Valerie Villareal . A. . 15913 2 Rosemarie Pilpa . M. . 15913 3 Scott Robson . A. . 15913 4 Evgeny Fadeev . A. . 15913 5 Robert Clubb . T. . 15913 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15913 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID heme . 15913 Isd . 15913 IsdC . 15913 'NEAT domain' . 15913 'NMR complex' . 15913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 15913 '15N chemical shifts' 130 15913 '1H chemical shifts' 730 15913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-02-27 2008-08-07 update BMRB 'complete entry citation' 15913 1 . . 2008-08-14 2008-08-07 original author 'original release' 15913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K78 'BMRB Entry Tracking System' 15913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18715872 _Citation.Full_citation . _Citation.Title 'The IsdC protein from Staphylococcus aureus uses a flexible binding pocket to capture heme' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 46 _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 31591 _Citation.Page_last 31600 _Citation.Year 2008 _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 Valerie Villareal . A. . 15913 1 2 Rosemarie Pilpa . M. . 15913 1 3 Scott Robson . A. . 15913 1 4 Evgeny Fadeev . A. . 15913 1 5 Robert Clubb . T. . 15913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15913 _Assembly.ID 1 _Assembly.Name IsdC _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IsdC 1 $IsdC A . yes native no no . . . 15913 1 2 ZNH 2 $ZNH B . yes native no no . . . 15913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IsdC _Entity.Sf_category entity _Entity.Sf_framecode IsdC _Entity.Entry_ID 15913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IsdC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSANAADSGTLNYEVYKYNT NDTSIANDYFNKPAKYIKKN GKLYVQITVNHSHWITGMSI EGHKENIISKNTAKDERTSE FEVSKLNGKIDGKIDVYIDE KVNGKPFKYDHHYNITYKFN GPTDVAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 4,M _Entity.Polymer_author_seq_details 'Residues 4-24 represent a Histidine-tag that was not included in the structure calculations' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method nat _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14322.988 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K78 . "Solution Structure Of The Isdc Neat Domain Bound To Zinc Protoporphyrin" . . . . . 100.00 147 100.00 100.00 3.54e-101 . . . . 15913 1 2 no PDB 2O6P . "Crystal Structure Of The Heme-isdc Complex" . . . . . 83.67 161 98.37 99.19 3.27e-81 . . . . 15913 1 3 no DBJ BAB42227 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 4 no DBJ BAB57293 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 5 no DBJ BAB94878 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 6 no DBJ BAF67314 . "iron-regulated cell surface protein [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 7 no DBJ BAF78005 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 8 no EMBL CAG40106 . "putative surface anchored protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 85.71 227 97.62 99.21 1.56e-82 . . . . 15913 1 9 no EMBL CAG42839 . "putative surface anchored protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 10 no EMBL CAI80683 . "iron-regulated cell surface protein [Staphylococcus aureus RF122]" . . . . . 85.71 227 99.21 100.00 4.19e-84 . . . . 15913 1 11 no EMBL CAQ49552 . "iron-regulated surface determinant protein C (Staphylococcaliron-regulated protein D) [Staphylococcus aureus subsp. aureus ST39" . . . . . 85.71 228 99.21 99.21 2.03e-83 . . . . 15913 1 12 no EMBL CBI49004 . "putative surface protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 13 no GB AAL33767 . "hypothetical protein SirD [Staphylococcus aureus]" . . . . . 85.71 227 97.62 99.21 1.56e-82 . . . . 15913 1 14 no GB AAW38020 . "NPQTN cell wall surface anchor protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 85.71 227 100.00 100.00 2.93e-84 . . . . 15913 1 15 no GB ABD20415 . "iron transport associated domain protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 16 no GB ABD30198 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 17 no GB ABQ48990 . "NEAr transporter [Staphylococcus aureus subsp. aureus JH9]" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 18 no REF WP_000789795 . "heme transporter IsdC [Staphylococcus aureus]" . . . . . 85.71 228 99.21 99.21 2.42e-83 . . . . 15913 1 19 no REF WP_000789808 . "heme transporter IsdC [Staphylococcus aureus]" . . . . . 85.71 228 99.21 99.21 2.03e-83 . . . . 15913 1 20 no REF WP_000789809 . "iron-regulated surface determinant protein C [Staphylococcus aureus]" . . . . . 85.71 227 98.41 99.21 3.21e-83 . . . . 15913 1 21 no REF WP_000789810 . "iron-regulated surface determinant protein C [Staphylococcus aureus]" . . . . . 85.71 227 98.41 99.21 3.28e-83 . . . . 15913 1 22 no REF WP_000789811 . "heme transporter IsdC [Staphylococcus aureus]" . . . . . 85.71 226 97.62 99.21 1.68e-82 . . . . 15913 1 23 no SP A5IS17 . "RecName: Full=Iron-regulated surface determinant protein C; AltName: Full=Staphylococcal iron-regulated protein D; Flags: Precu" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 24 no SP A6QG32 . "RecName: Full=Iron-regulated surface determinant protein C; AltName: Full=Staphylococcal iron-regulated protein D; Flags: Precu" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 25 no SP A6U0U8 . "RecName: Full=Iron-regulated surface determinant protein C; AltName: Full=Staphylococcal iron-regulated protein D; Flags: Precu" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 26 no SP A7X149 . "RecName: Full=Iron-regulated surface determinant protein C; AltName: Full=Staphylococcal iron-regulated protein D; Flags: Precu" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 1 27 no SP A8Z1R1 . "RecName: Full=Iron-regulated surface determinant protein C; AltName: Full=Staphylococcal iron-regulated protein D; Flags: Precu" . . . . . 85.71 227 100.00 100.00 2.86e-84 . . . . 15913 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 4 MET . 15913 1 2 5 GLY . 15913 1 3 6 SER . 15913 1 4 7 SER . 15913 1 5 8 HIS . 15913 1 6 9 HIS . 15913 1 7 10 HIS . 15913 1 8 11 HIS . 15913 1 9 12 HIS . 15913 1 10 13 HIS . 15913 1 11 14 SER . 15913 1 12 15 SER . 15913 1 13 16 GLY . 15913 1 14 17 LEU . 15913 1 15 18 VAL . 15913 1 16 19 PRO . 15913 1 17 20 ARG . 15913 1 18 21 GLY . 15913 1 19 22 SER . 15913 1 20 23 HIS . 15913 1 21 24 MET . 15913 1 22 25 SER . 15913 1 23 26 ALA . 15913 1 24 27 ASN . 15913 1 25 28 ALA . 15913 1 26 29 ALA . 15913 1 27 30 ASP . 15913 1 28 31 SER . 15913 1 29 32 GLY . 15913 1 30 33 THR . 15913 1 31 34 LEU . 15913 1 32 35 ASN . 15913 1 33 36 TYR . 15913 1 34 37 GLU . 15913 1 35 38 VAL . 15913 1 36 39 TYR . 15913 1 37 40 LYS . 15913 1 38 41 TYR . 15913 1 39 42 ASN . 15913 1 40 43 THR . 15913 1 41 44 ASN . 15913 1 42 45 ASP . 15913 1 43 46 THR . 15913 1 44 47 SER . 15913 1 45 48 ILE . 15913 1 46 49 ALA . 15913 1 47 50 ASN . 15913 1 48 51 ASP . 15913 1 49 52 TYR . 15913 1 50 53 PHE . 15913 1 51 54 ASN . 15913 1 52 55 LYS . 15913 1 53 56 PRO . 15913 1 54 57 ALA . 15913 1 55 58 LYS . 15913 1 56 59 TYR . 15913 1 57 60 ILE . 15913 1 58 61 LYS . 15913 1 59 62 LYS . 15913 1 60 63 ASN . 15913 1 61 64 GLY . 15913 1 62 65 LYS . 15913 1 63 66 LEU . 15913 1 64 67 TYR . 15913 1 65 68 VAL . 15913 1 66 69 GLN . 15913 1 67 70 ILE . 15913 1 68 71 THR . 15913 1 69 72 VAL . 15913 1 70 73 ASN . 15913 1 71 74 HIS . 15913 1 72 75 SER . 15913 1 73 76 HIS . 15913 1 74 77 TRP . 15913 1 75 78 ILE . 15913 1 76 79 THR . 15913 1 77 80 GLY . 15913 1 78 81 MET . 15913 1 79 82 SER . 15913 1 80 83 ILE . 15913 1 81 84 GLU . 15913 1 82 85 GLY . 15913 1 83 86 HIS . 15913 1 84 87 LYS . 15913 1 85 88 GLU . 15913 1 86 89 ASN . 15913 1 87 90 ILE . 15913 1 88 91 ILE . 15913 1 89 92 SER . 15913 1 90 93 LYS . 15913 1 91 94 ASN . 15913 1 92 95 THR . 15913 1 93 96 ALA . 15913 1 94 97 LYS . 15913 1 95 98 ASP . 15913 1 96 99 GLU . 15913 1 97 100 ARG . 15913 1 98 101 THR . 15913 1 99 102 SER . 15913 1 100 103 GLU . 15913 1 101 104 PHE . 15913 1 102 105 GLU . 15913 1 103 106 VAL . 15913 1 104 107 SER . 15913 1 105 108 LYS . 15913 1 106 109 LEU . 15913 1 107 110 ASN . 15913 1 108 111 GLY . 15913 1 109 112 LYS . 15913 1 110 113 ILE . 15913 1 111 114 ASP . 15913 1 112 115 GLY . 15913 1 113 116 LYS . 15913 1 114 117 ILE . 15913 1 115 118 ASP . 15913 1 116 119 VAL . 15913 1 117 120 TYR . 15913 1 118 121 ILE . 15913 1 119 122 ASP . 15913 1 120 123 GLU . 15913 1 121 124 LYS . 15913 1 122 125 VAL . 15913 1 123 126 ASN . 15913 1 124 127 GLY . 15913 1 125 128 LYS . 15913 1 126 129 PRO . 15913 1 127 130 PHE . 15913 1 128 131 LYS . 15913 1 129 132 TYR . 15913 1 130 133 ASP . 15913 1 131 134 HIS . 15913 1 132 135 HIS . 15913 1 133 136 TYR . 15913 1 134 137 ASN . 15913 1 135 138 ILE . 15913 1 136 139 THR . 15913 1 137 140 TYR . 15913 1 138 141 LYS . 15913 1 139 142 PHE . 15913 1 140 143 ASN . 15913 1 141 144 GLY . 15913 1 142 145 PRO . 15913 1 143 146 THR . 15913 1 144 147 ASP . 15913 1 145 148 VAL . 15913 1 146 149 ALA . 15913 1 147 150 GLY . 15913 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 15913 1 . GLY 2 2 15913 1 . SER 3 3 15913 1 . SER 4 4 15913 1 . HIS 5 5 15913 1 . HIS 6 6 15913 1 . HIS 7 7 15913 1 . HIS 8 8 15913 1 . HIS 9 9 15913 1 . HIS 10 10 15913 1 . SER 11 11 15913 1 . SER 12 12 15913 1 . GLY 13 13 15913 1 . LEU 14 14 15913 1 . VAL 15 15 15913 1 . PRO 16 16 15913 1 . ARG 17 17 15913 1 . GLY 18 18 15913 1 . SER 19 19 15913 1 . HIS 20 20 15913 1 . MET 21 21 15913 1 . SER 22 22 15913 1 . ALA 23 23 15913 1 . ASN 24 24 15913 1 . ALA 25 25 15913 1 . ALA 26 26 15913 1 . ASP 27 27 15913 1 . SER 28 28 15913 1 . GLY 29 29 15913 1 . THR 30 30 15913 1 . LEU 31 31 15913 1 . ASN 32 32 15913 1 . TYR 33 33 15913 1 . GLU 34 34 15913 1 . VAL 35 35 15913 1 . TYR 36 36 15913 1 . LYS 37 37 15913 1 . TYR 38 38 15913 1 . ASN 39 39 15913 1 . THR 40 40 15913 1 . ASN 41 41 15913 1 . ASP 42 42 15913 1 . THR 43 43 15913 1 . SER 44 44 15913 1 . ILE 45 45 15913 1 . ALA 46 46 15913 1 . ASN 47 47 15913 1 . ASP 48 48 15913 1 . TYR 49 49 15913 1 . PHE 50 50 15913 1 . ASN 51 51 15913 1 . LYS 52 52 15913 1 . PRO 53 53 15913 1 . ALA 54 54 15913 1 . LYS 55 55 15913 1 . TYR 56 56 15913 1 . ILE 57 57 15913 1 . LYS 58 58 15913 1 . LYS 59 59 15913 1 . ASN 60 60 15913 1 . GLY 61 61 15913 1 . LYS 62 62 15913 1 . LEU 63 63 15913 1 . TYR 64 64 15913 1 . VAL 65 65 15913 1 . GLN 66 66 15913 1 . ILE 67 67 15913 1 . THR 68 68 15913 1 . VAL 69 69 15913 1 . ASN 70 70 15913 1 . HIS 71 71 15913 1 . SER 72 72 15913 1 . HIS 73 73 15913 1 . TRP 74 74 15913 1 . ILE 75 75 15913 1 . THR 76 76 15913 1 . GLY 77 77 15913 1 . MET 78 78 15913 1 . SER 79 79 15913 1 . ILE 80 80 15913 1 . GLU 81 81 15913 1 . GLY 82 82 15913 1 . HIS 83 83 15913 1 . LYS 84 84 15913 1 . GLU 85 85 15913 1 . ASN 86 86 15913 1 . ILE 87 87 15913 1 . ILE 88 88 15913 1 . SER 89 89 15913 1 . LYS 90 90 15913 1 . ASN 91 91 15913 1 . THR 92 92 15913 1 . ALA 93 93 15913 1 . LYS 94 94 15913 1 . ASP 95 95 15913 1 . GLU 96 96 15913 1 . ARG 97 97 15913 1 . THR 98 98 15913 1 . SER 99 99 15913 1 . GLU 100 100 15913 1 . PHE 101 101 15913 1 . GLU 102 102 15913 1 . VAL 103 103 15913 1 . SER 104 104 15913 1 . LYS 105 105 15913 1 . LEU 106 106 15913 1 . ASN 107 107 15913 1 . GLY 108 108 15913 1 . LYS 109 109 15913 1 . ILE 110 110 15913 1 . ASP 111 111 15913 1 . GLY 112 112 15913 1 . LYS 113 113 15913 1 . ILE 114 114 15913 1 . ASP 115 115 15913 1 . VAL 116 116 15913 1 . TYR 117 117 15913 1 . ILE 118 118 15913 1 . ASP 119 119 15913 1 . GLU 120 120 15913 1 . LYS 121 121 15913 1 . VAL 122 122 15913 1 . ASN 123 123 15913 1 . GLY 124 124 15913 1 . LYS 125 125 15913 1 . PRO 126 126 15913 1 . PHE 127 127 15913 1 . LYS 128 128 15913 1 . TYR 129 129 15913 1 . ASP 130 130 15913 1 . HIS 131 131 15913 1 . HIS 132 132 15913 1 . TYR 133 133 15913 1 . ASN 134 134 15913 1 . ILE 135 135 15913 1 . THR 136 136 15913 1 . TYR 137 137 15913 1 . LYS 138 138 15913 1 . PHE 139 139 15913 1 . ASN 140 140 15913 1 . GLY 141 141 15913 1 . PRO 142 142 15913 1 . THR 143 143 15913 1 . ASP 144 144 15913 1 . VAL 145 145 15913 1 . ALA 146 146 15913 1 . GLY 147 147 15913 1 stop_ save_ save_ZNH _Entity.Sf_category entity _Entity.Sf_framecode ZNH _Entity.Entry_ID 15913 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZNH _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 ZNH _Entity.Nonpolymer_comp_label $chem_comp_ZNH _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 . ZNH . 15913 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 15913 _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 $IsdC . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 15913 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 15913 _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 $IsdC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 15913 1 2 2 $ZNH . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 15913 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZNH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZNH _Chem_comp.Entry_ID 15913 _Chem_comp.ID ZNH _Chem_comp.Provenance . _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING ZN' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZNH _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2001-03-01 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZNH _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 N4 O4 Zn' _Chem_comp.Formula_weight 626.051 _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 yes _Chem_comp.Model_coordinates_db_code 1I55 _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 Tue Oct 18 14:52:31 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 Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES 'OpenEye OEToolkits' 1.5.0 15913 ZNH Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15913 ZNH CC1=C(CCC(O)=O)C2=N3|[Zn]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES CACTVS 3.341 15913 ZNH CC1=C(CCC(O)=O)C2=N3|[Zn]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES_CANONICAL CACTVS 3.341 15913 ZNH FUTVBRXUIKZACV-UMRYFLQFDI InChIKey InChI 1.02b 15913 ZNH InChI=1/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Zn/h39,41H;/q-2;m/rC34H32N4O4Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31-16-32-24(10-12-34(41)42)20(6)28-15-30-22(8-2)18(4)27-14-29(21)35(25)43(36(27)30,37(26)31)38(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H InChI InChI 1.02b 15913 ZNH 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 0 . . . . no no . . . . 29.326 . 23.341 . 0.257 . . . . 1 . 15913 ZNH CHA . CHA . . C . . N 0 . . . . yes no . . . . 30.752 . 23.453 . -2.839 . . . . 2 . 15913 ZNH CHB . CHB . . C . . N 0 . . . . yes no . . . . 31.210 . 20.621 . 1.047 . . . . 3 . 15913 ZNH CHC . CHC . . C . . N 0 . . . . yes no . . . . 28.129 . 23.454 . 3.476 . . . . 4 . 15913 ZNH CHD . CHD . . C . . N 0 . . . . yes no . . . . 27.272 . 25.940 . -0.590 . . . . 5 . 15913 ZNH NA . NA . . N . . N 0 . . . . yes no . . . . 30.741 . 22.246 . -0.735 . . . . 6 . 15913 ZNH C1A . C1A . . C . . N 0 . . . . yes no . . . . 31.245 . 22.459 . -1.987 . . . . 7 . 15913 ZNH C2A . C2A . . C . . N 0 . . . . yes no . . . . 32.274 . 21.494 . -2.292 . . . . 8 . 15913 ZNH C3A . C3A . . C . . N 0 . . . . yes no . . . . 32.362 . 20.679 . -1.205 . . . . 9 . 15913 ZNH C4A . C4A . . C . . N 0 . . . . yes no . . . . 31.400 . 21.158 . -0.233 . . . . 10 . 15913 ZNH CMA . CMA . . C . . N 0 . . . . no no . . . . 33.291 . 19.483 . -1.045 . . . . 11 . 15913 ZNH CAA . CAA . . C . . N 0 . . . . no no . . . . 33.094 . 21.400 . -3.581 . . . . 12 . 15913 ZNH CBA . CBA . . C . . N 0 . . . . no no . . . . 32.330 . 20.512 . -4.554 . . . . 13 . 15913 ZNH CGA . CGA . . C . . N 0 . . . . no no . . . . 33.087 . 20.229 . -5.839 . . . . 14 . 15913 ZNH O1A . O1A . . O . . N 0 . . . . no no . . . . 32.575 . 19.442 . -6.659 . . . . 15 . 15913 ZNH O2A . O2A . . O . . N 0 . . . . no no . . . . 34.190 . 20.781 . -6.035 . . . . 16 . 15913 ZNH NB . NB . . N . . N 0 . . . . yes no . . . . 29.628 . 22.254 . 1.947 . . . . 17 . 15913 ZNH C1B . C1B . . C . . N 0 . . . . yes no . . . . 30.381 . 21.109 . 2.053 . . . . 18 . 15913 ZNH C2B . C2B . . C . . N 0 . . . . no no . . . . 30.240 . 20.515 . 3.367 . . . . 19 . 15913 ZNH C3B . C3B . . C . . N 0 . . . . no no . . . . 29.425 . 21.349 . 4.086 . . . . 20 . 15913 ZNH C4B . C4B . . C . . N 0 . . . . yes no . . . . 29.034 . 22.426 . 3.174 . . . . 21 . 15913 ZNH CMB . CMB . . C . . N 0 . . . . no no . . . . 30.816 . 19.160 . 3.775 . . . . 22 . 15913 ZNH CAB . CAB . . C . . N 0 . . . . no no . . . . 29.099 . 21.265 . 5.428 . . . . 23 . 15913 ZNH CBB . CBB . . C . . N 0 . . . . no no . . . . 30.084 . 21.394 . 6.395 . . . . 24 . 15913 ZNH NC . NC . . N . . N 0 . . . . yes no . . . . 28.004 . 24.549 . 1.271 . . . . 25 . 15913 ZNH C1C . C1C . . C . . N 0 . . . . yes no . . . . 27.651 . 24.439 . 2.596 . . . . 26 . 15913 ZNH C2C . C2C . . C . . N 0 . . . . yes no . . . . 26.620 . 25.395 . 2.926 . . . . 27 . 15913 ZNH C3C . C3C . . C . . N 0 . . . . yes no . . . . 26.325 . 26.070 . 1.770 . . . . 28 . 15913 ZNH C4C . C4C . . C . . N 0 . . . . yes no . . . . 27.208 . 25.535 . 0.746 . . . . 29 . 15913 ZNH CMC . CMC . . C . . N 0 . . . . no no . . . . 26.035 . 25.566 . 4.323 . . . . 30 . 15913 ZNH CAC . CAC . . C . . N 0 . . . . no no . . . . 25.344 . 27.048 . 1.555 . . . . 31 . 15913 ZNH CBC . CBC . . C . . N 0 . . . . no no . . . . 25.207 . 28.203 . 2.309 . . . . 32 . 15913 ZNH ND . ND . . N . . N 0 . . . . yes no . . . . 29.023 . 24.459 . -1.447 . . . . 33 . 15913 ZNH C1D . C1D . . C . . N 0 . . . . yes no . . . . 28.110 . 25.461 . -1.617 . . . . 34 . 15913 ZNH C2D . C2D . . C . . N 0 . . . . no no . . . . 28.222 . 26.013 . -2.928 . . . . 35 . 15913 ZNH C3D . C3D . . C . . N 0 . . . . no no . . . . 29.243 . 25.340 . -3.544 . . . . 36 . 15913 ZNH C4D . C4D . . C . . N 0 . . . . yes no . . . . 29.727 . 24.372 . -2.614 . . . . 37 . 15913 ZNH CMD . CMD . . C . . N 0 . . . . no no . . . . 27.353 . 27.131 . -3.494 . . . . 38 . 15913 ZNH CAD . CAD . . C . . N 0 . . . . no no . . . . 29.834 . 25.630 . -4.915 . . . . 39 . 15913 ZNH CBD . CBD . . C . . N 0 . . . . no no . . . . 30.962 . 26.634 . -4.701 . . . . 40 . 15913 ZNH CGD . CGD . . C . . N 0 . . . . no no . . . . 31.512 . 27.233 . -5.987 . . . . 41 . 15913 ZNH O1D . O1D . . O . . N 0 . . . . no no . . . . 31.086 . 26.836 . -7.093 . . . . 42 . 15913 ZNH O2D . O2D . . O . . N 0 . . . . no no . . . . 32.384 . 28.119 . -5.879 . . . . 43 . 15913 ZNH HHA . HHA . . H . . N 0 . . . . no no . . . . 31.239 . 23.521 . -3.826 . . . . 44 . 15913 ZNH HHB . HHB . . H . . N 0 . . . . no no . . . . 31.779 . 19.708 . 1.291 . . . . 45 . 15913 ZNH HHC . HHC . . H . . N 0 . . . . no no . . . . 27.754 . 23.491 . 4.512 . . . . 46 . 15913 ZNH HHD . HHD . . H . . N 0 . . . . no no . . . . 26.569 . 26.742 . -0.870 . . . . 47 . 15913 ZNH HMA1 . HMA1 . . H . . N 0 . . . . no no . . . . 33.363 . 18.815 . -0.154 . . . . 48 . 15913 ZNH HMA2 . HMA2 . . H . . N 0 . . . . no no . . . . 33.097 . 18.818 . -1.918 . . . . 49 . 15913 ZNH HMA3 . HMA3 . . H . . N 0 . . . . no no . . . . 34.322 . 19.861 . -1.236 . . . . 50 . 15913 ZNH HAA1 . HAA1 . . H . . N 0 . . . . no no . . . . 33.342 . 22.398 . -4.010 . . . . 51 . 15913 ZNH HAA2 . HAA2 . . H . . N 0 . . . . no no . . . . 34.138 . 21.051 . -3.405 . . . . 52 . 15913 ZNH HBA1 . HBA1 . . H . . N 0 . . . . no no . . . . 32.020 . 19.561 . -4.060 . . . . 53 . 15913 ZNH HBA2 . HBA2 . . H . . N 0 . . . . no no . . . . 31.325 . 20.941 . -4.774 . . . . 54 . 15913 ZNH H2A . H2A . . H . . N 0 . . . . no no . . . . 34.663 . 20.603 . -6.839 . . . . 55 . 15913 ZNH HMB1 . HMB1 . . H . . N 0 . . . . no no . . . . 30.707 . 18.702 . 4.786 . . . . 56 . 15913 ZNH HMB2 . HMB2 . . H . . N 0 . . . . no no . . . . 30.435 . 18.412 . 3.040 . . . . 57 . 15913 ZNH HMB3 . HMB3 . . H . . N 0 . . . . no no . . . . 31.907 . 19.192 . 3.550 . . . . 58 . 15913 ZNH HAB . HAB . . H . . N 0 . . . . no no . . . . 28.051 . 21.094 . 5.727 . . . . 59 . 15913 ZNH HBB1 . HBB1 . . H . . N 0 . . . . no no . . . . 31.131 . 21.564 . 6.095 . . . . 60 . 15913 ZNH HBB2 . HBB2 . . H . . N 0 . . . . no no . . . . 29.824 . 21.327 . 7.464 . . . . 61 . 15913 ZNH HMC1 . HMC1 . . H . . N 0 . . . . no no . . . . 25.239 . 26.304 . 4.577 . . . . 62 . 15913 ZNH HMC2 . HMC2 . . H . . N 0 . . . . no no . . . . 25.670 . 24.564 . 4.650 . . . . 63 . 15913 ZNH HMC3 . HMC3 . . H . . N 0 . . . . no no . . . . 26.888 . 25.752 . 5.015 . . . . 64 . 15913 ZNH HAC . HAC . . H . . N 0 . . . . no no . . . . 24.626 . 26.897 . 0.731 . . . . 65 . 15913 ZNH HBC1 . HBC1 . . H . . N 0 . . . . no no . . . . 25.924 . 28.353 . 3.133 . . . . 66 . 15913 ZNH HBC2 . HBC2 . . H . . N 0 . . . . no no . . . . 24.435 . 28.972 . 2.139 . . . . 67 . 15913 ZNH HMD1 . HMD1 . . H . . N 0 . . . . no no . . . . 27.440 . 27.562 . -4.518 . . . . 68 . 15913 ZNH HMD2 . HMD2 . . H . . N 0 . . . . no no . . . . 26.294 . 26.801 . -3.377 . . . . 69 . 15913 ZNH HMD3 . HMD3 . . H . . N 0 . . . . no no . . . . 27.429 . 27.985 . -2.781 . . . . 70 . 15913 ZNH HAD1 . HAD1 . . H . . N 0 . . . . no no . . . . 30.158 . 24.711 . -5.457 . . . . 71 . 15913 ZNH HAD2 . HAD2 . . H . . N 0 . . . . no no . . . . 29.076 . 25.971 . -5.658 . . . . 72 . 15913 ZNH HBD1 . HBD1 . . H . . N 0 . . . . no no . . . . 30.640 . 27.439 . -4.000 . . . . 73 . 15913 ZNH HBD2 . HBD2 . . H . . N 0 . . . . no no . . . . 31.782 . 26.177 . -4.100 . . . . 74 . 15913 ZNH H2D . H2D . . H . . N 0 . . . . no no . . . . 32.727 . 28.493 . -6.681 . . . . 75 . 15913 ZNH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING ZN NA no N 1 . 15913 ZNH 2 . SING ZN NB no N 2 . 15913 ZNH 3 . SING ZN NC no N 3 . 15913 ZNH 4 . SING ZN ND no N 4 . 15913 ZNH 5 . DOUB CHA C1A yes N 5 . 15913 ZNH 6 . SING CHA C4D yes N 6 . 15913 ZNH 7 . SING CHA HHA no N 7 . 15913 ZNH 8 . DOUB CHB C4A yes N 8 . 15913 ZNH 9 . SING CHB C1B yes N 9 . 15913 ZNH 10 . SING CHB HHB no N 10 . 15913 ZNH 11 . DOUB CHC C4B yes N 11 . 15913 ZNH 12 . SING CHC C1C yes N 12 . 15913 ZNH 13 . SING CHC HHC no N 13 . 15913 ZNH 14 . SING CHD C4C yes N 14 . 15913 ZNH 15 . DOUB CHD C1D yes N 15 . 15913 ZNH 16 . SING CHD HHD no N 16 . 15913 ZNH 17 . SING NA C1A yes N 17 . 15913 ZNH 18 . SING NA C4A yes N 18 . 15913 ZNH 19 . SING C1A C2A yes N 19 . 15913 ZNH 20 . DOUB C2A C3A yes N 20 . 15913 ZNH 21 . SING C2A CAA no N 21 . 15913 ZNH 22 . SING C3A C4A yes N 22 . 15913 ZNH 23 . SING C3A CMA no N 23 . 15913 ZNH 24 . SING CMA HMA1 no N 24 . 15913 ZNH 25 . SING CMA HMA2 no N 25 . 15913 ZNH 26 . SING CMA HMA3 no N 26 . 15913 ZNH 27 . SING CAA CBA no N 27 . 15913 ZNH 28 . SING CAA HAA1 no N 28 . 15913 ZNH 29 . SING CAA HAA2 no N 29 . 15913 ZNH 30 . SING CBA CGA no N 30 . 15913 ZNH 31 . SING CBA HBA1 no N 31 . 15913 ZNH 32 . SING CBA HBA2 no N 32 . 15913 ZNH 33 . DOUB CGA O1A no N 33 . 15913 ZNH 34 . SING CGA O2A no N 34 . 15913 ZNH 35 . SING O2A H2A no N 35 . 15913 ZNH 36 . DOUB NB C1B yes N 36 . 15913 ZNH 37 . SING NB C4B yes N 37 . 15913 ZNH 38 . SING C1B C2B no N 38 . 15913 ZNH 39 . DOUB C2B C3B no N 39 . 15913 ZNH 40 . SING C2B CMB no N 40 . 15913 ZNH 41 . SING C3B C4B no N 41 . 15913 ZNH 42 . SING C3B CAB no N 42 . 15913 ZNH 43 . SING CMB HMB1 no N 43 . 15913 ZNH 44 . SING CMB HMB2 no N 44 . 15913 ZNH 45 . SING CMB HMB3 no N 45 . 15913 ZNH 46 . DOUB CAB CBB no N 46 . 15913 ZNH 47 . SING CAB HAB no N 47 . 15913 ZNH 48 . SING CBB HBB1 no N 48 . 15913 ZNH 49 . SING CBB HBB2 no N 49 . 15913 ZNH 50 . SING NC C1C yes N 50 . 15913 ZNH 51 . SING NC C4C yes N 51 . 15913 ZNH 52 . DOUB C1C C2C yes N 52 . 15913 ZNH 53 . SING C2C C3C yes N 53 . 15913 ZNH 54 . SING C2C CMC no N 54 . 15913 ZNH 55 . DOUB C3C C4C yes N 55 . 15913 ZNH 56 . SING C3C CAC no N 56 . 15913 ZNH 57 . SING CMC HMC1 no N 57 . 15913 ZNH 58 . SING CMC HMC2 no N 58 . 15913 ZNH 59 . SING CMC HMC3 no N 59 . 15913 ZNH 60 . DOUB CAC CBC no N 60 . 15913 ZNH 61 . SING CAC HAC no N 61 . 15913 ZNH 62 . SING CBC HBC1 no N 62 . 15913 ZNH 63 . SING CBC HBC2 no N 63 . 15913 ZNH 64 . SING ND C1D yes N 64 . 15913 ZNH 65 . DOUB ND C4D yes N 65 . 15913 ZNH 66 . SING C1D C2D no N 66 . 15913 ZNH 67 . DOUB C2D C3D no N 67 . 15913 ZNH 68 . SING C2D CMD no N 68 . 15913 ZNH 69 . SING C3D C4D no N 69 . 15913 ZNH 70 . SING C3D CAD no N 70 . 15913 ZNH 71 . SING CMD HMD1 no N 71 . 15913 ZNH 72 . SING CMD HMD2 no N 72 . 15913 ZNH 73 . SING CMD HMD3 no N 73 . 15913 ZNH 74 . SING CAD CBD no N 74 . 15913 ZNH 75 . SING CAD HAD1 no N 75 . 15913 ZNH 76 . SING CAD HAD2 no N 76 . 15913 ZNH 77 . SING CBD CGD no N 77 . 15913 ZNH 78 . SING CBD HBD1 no N 78 . 15913 ZNH 79 . SING CBD HBD2 no N 79 . 15913 ZNH 80 . DOUB CGD O1D no N 80 . 15913 ZNH 81 . SING CGD O2D no N 81 . 15913 ZNH 82 . SING O2D H2D no N 82 . 15913 ZNH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15913 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15913 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15913 1 4 IsdC '[U-100% 13C; U-100% 15N]' . . 1 $IsdC . . 1.3 . . mM . . . . 15913 1 5 ZNH 'natural abundance' . . 2 $ZNH . . 2.1 . . mM . . . . 15913 1 6 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 15913 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15913 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15913 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15913 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15913 2 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15913 2 4 IsdC 'natural abundance' . . 1 $IsdC . . 1.1 . . mM . . . . 15913 2 5 ZNH 'natural abundance' . . 2 $ZNH . . 2.3 . . mM . . . . 15913 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15913 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15913 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15913 1 pH 6 . pH 15913 1 pressure 1 . atm 15913 1 temperature 302 . K 15913 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15913 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15913 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15913 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15913 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15913 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15913 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15913 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15913 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15913 3 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 15913 _Software.ID 4 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert, Wuthrich' . . 15913 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15913 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15913 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 15913 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15913 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15913 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15913 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15913 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15913 1 2 spectrometer_2 Bruker Avance . 600 . . . 15913 1 3 spectrometer_3 Bruker Avance . 800 . . . 15913 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 15913 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15913 _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 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15913 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15913 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15913 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 15913 1 4 '3D HNCACB' . . . 15913 1 6 '3D HNHA' . . . 15913 1 7 '3D HCCH-COSY' . . . 15913 1 8 '3D HCCH-TOCSY' . . . 15913 1 10 '3D HNCO' . . . 15913 1 11 '3D HNHB' . . . 15913 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 22 22 SER H H 1 8.3100 . . 1 . . . . 25 SER HN . 15913 1 2 . 1 1 22 22 SER HA H 1 4.4200 . . 1 . . . . 25 SER HA . 15913 1 3 . 1 1 22 22 SER HB2 H 1 3.7900 . . 2 . . . . 25 SER HB2 . 15913 1 4 . 1 1 22 22 SER C C 13 173.2300 . . 1 . . . . 25 SER C . 15913 1 5 . 1 1 22 22 SER CA C 13 58.2300 . . 1 . . . . 25 SER CA . 15913 1 6 . 1 1 22 22 SER CB C 13 63.6100 . . 1 . . . . 25 SER CB . 15913 1 7 . 1 1 22 22 SER N N 15 117.3600 . . 1 . . . . 25 SER N . 15913 1 8 . 1 1 23 23 ALA H H 1 8.4100 . . 1 . . . . 26 ALA HN . 15913 1 9 . 1 1 23 23 ALA HA H 1 4.4130 . . 1 . . . . 26 ALA HA . 15913 1 10 . 1 1 23 23 ALA HB1 H 1 1.4300 . . 1 . . . . 26 ALA HB# . 15913 1 11 . 1 1 23 23 ALA HB2 H 1 1.4300 . . 1 . . . . 26 ALA HB# . 15913 1 12 . 1 1 23 23 ALA HB3 H 1 1.4300 . . 1 . . . . 26 ALA HB# . 15913 1 13 . 1 1 23 23 ALA C C 13 176.3100 . . 1 . . . . 26 ALA C . 15913 1 14 . 1 1 23 23 ALA CA C 13 52.7400 . . 1 . . . . 26 ALA CA . 15913 1 15 . 1 1 23 23 ALA CB C 13 19.1800 . . 1 . . . . 26 ALA CB . 15913 1 16 . 1 1 23 23 ALA N N 15 126.2000 . . 1 . . . . 26 ALA N . 15913 1 17 . 1 1 24 24 ASN H H 1 8.3400 . . 1 . . . . 27 ASN HN . 15913 1 18 . 1 1 24 24 ASN HA H 1 4.7200 . . 1 . . . . 27 ASN HA . 15913 1 19 . 1 1 24 24 ASN HB2 H 1 2.9500 . . 2 . . . . 27 ASN HB1 . 15913 1 20 . 1 1 24 24 ASN HB3 H 1 2.8300 . . 2 . . . . 27 ASN HB2 . 15913 1 21 . 1 1 24 24 ASN C C 13 173.9000 . . 1 . . . . 27 ASN C . 15913 1 22 . 1 1 24 24 ASN CA C 13 52.9600 . . 1 . . . . 27 ASN CA . 15913 1 23 . 1 1 24 24 ASN CB C 13 38.7100 . . 1 . . . . 27 ASN CB . 15913 1 24 . 1 1 24 24 ASN N N 15 117.9300 . . 1 . . . . 27 ASN N . 15913 1 25 . 1 1 25 25 ALA H H 1 8.2300 . . 1 . . . . 28 ALA HN . 15913 1 26 . 1 1 25 25 ALA HA H 1 4.2800 . . 1 . . . . 28 ALA HA . 15913 1 27 . 1 1 25 25 ALA HB1 H 1 1.3400 . . 1 . . . . 28 ALA HB# . 15913 1 28 . 1 1 25 25 ALA HB2 H 1 1.3400 . . 1 . . . . 28 ALA HB# . 15913 1 29 . 1 1 25 25 ALA HB3 H 1 1.3400 . . 1 . . . . 28 ALA HB# . 15913 1 30 . 1 1 25 25 ALA C C 13 176.1400 . . 1 . . . . 28 ALA C . 15913 1 31 . 1 1 25 25 ALA CA C 13 52.4500 . . 1 . . . . 28 ALA CA . 15913 1 32 . 1 1 25 25 ALA CB C 13 19.3100 . . 1 . . . . 28 ALA CB . 15913 1 33 . 1 1 25 25 ALA N N 15 125.0300 . . 1 . . . . 28 ALA N . 15913 1 34 . 1 1 26 26 ALA H H 1 8.2600 . . 1 . . . . 29 ALA HN . 15913 1 35 . 1 1 26 26 ALA HA H 1 4.4200 . . 1 . . . . 29 ALA HA . 15913 1 36 . 1 1 26 26 ALA HB1 H 1 1.4300 . . 1 . . . . 29 ALA HB# . 15913 1 37 . 1 1 26 26 ALA HB2 H 1 1.4300 . . 1 . . . . 29 ALA HB# . 15913 1 38 . 1 1 26 26 ALA HB3 H 1 1.4300 . . 1 . . . . 29 ALA HB# . 15913 1 39 . 1 1 26 26 ALA C C 13 176.4800 . . 1 . . . . 29 ALA C . 15913 1 40 . 1 1 26 26 ALA CA C 13 52.2400 . . 1 . . . . 29 ALA CA . 15913 1 41 . 1 1 26 26 ALA CB C 13 19.2400 . . 1 . . . . 29 ALA CB . 15913 1 42 . 1 1 26 26 ALA N N 15 122.8700 . . 1 . . . . 29 ALA N . 15913 1 43 . 1 1 27 27 ASP H H 1 8.3600 . . 1 . . . . 30 ASP HN . 15913 1 44 . 1 1 27 27 ASP HA H 1 4.6500 . . 1 . . . . 30 ASP HA . 15913 1 45 . 1 1 27 27 ASP HB2 H 1 2.8700 . . 2 . . . . 30 ASP HB1 . 15913 1 46 . 1 1 27 27 ASP HB3 H 1 2.7800 . . 2 . . . . 30 ASP HB2 . 15913 1 47 . 1 1 27 27 ASP C C 13 173.3600 . . 1 . . . . 30 ASP C . 15913 1 48 . 1 1 27 27 ASP CA C 13 54.7300 . . 1 . . . . 30 ASP CA . 15913 1 49 . 1 1 27 27 ASP CB C 13 41.4100 . . 1 . . . . 30 ASP CB . 15913 1 50 . 1 1 27 27 ASP N N 15 119.1900 . . 1 . . . . 30 ASP N . 15913 1 51 . 1 1 28 28 SER H H 1 7.5900 . . 1 . . . . 31 SER HN . 15913 1 52 . 1 1 28 28 SER HA H 1 4.5700 . . 1 . . . . 31 SER HA . 15913 1 53 . 1 1 28 28 SER HB2 H 1 3.7300 . . 2 . . . . 31 SER HB2 . 15913 1 54 . 1 1 28 28 SER C C 13 171.6600 . . 1 . . . . 31 SER C . 15913 1 55 . 1 1 28 28 SER CA C 13 56.4600 . . 1 . . . . 31 SER CA . 15913 1 56 . 1 1 28 28 SER CB C 13 65.6000 . . 1 . . . . 31 SER CB . 15913 1 57 . 1 1 28 28 SER N N 15 111.6200 . . 1 . . . . 31 SER N . 15913 1 58 . 1 1 29 29 GLY H H 1 6.9200 . . 1 . . . . 32 GLY HN . 15913 1 59 . 1 1 29 29 GLY HA2 H 1 3.7100 . . 2 . . . . 32 GLY HA1 . 15913 1 60 . 1 1 29 29 GLY HA3 H 1 3.9400 . . 2 . . . . 32 GLY HA2 . 15913 1 61 . 1 1 29 29 GLY C C 13 170.8000 . . 1 . . . . 32 GLY C . 15913 1 62 . 1 1 29 29 GLY CA C 13 45.4400 . . 1 . . . . 32 GLY CA . 15913 1 63 . 1 1 29 29 GLY N N 15 106.1500 . . 1 . . . . 32 GLY N . 15913 1 64 . 1 1 30 30 THR H H 1 8.4500 . . 1 . . . . 33 THR HN . 15913 1 65 . 1 1 30 30 THR HA H 1 4.8600 . . 1 . . . . 33 THR HA . 15913 1 66 . 1 1 30 30 THR HB H 1 4.1100 . . 1 . . . . 33 THR HB . 15913 1 67 . 1 1 30 30 THR HG21 H 1 1.2200 . . 1 . . . . 33 THR HG2# . 15913 1 68 . 1 1 30 30 THR HG22 H 1 1.2200 . . 1 . . . . 33 THR HG2# . 15913 1 69 . 1 1 30 30 THR HG23 H 1 1.2200 . . 1 . . . . 33 THR HG2# . 15913 1 70 . 1 1 30 30 THR C C 13 172.5100 . . 1 . . . . 33 THR C . 15913 1 71 . 1 1 30 30 THR CA C 13 61.7300 . . 1 . . . . 33 THR CA . 15913 1 72 . 1 1 30 30 THR CB C 13 70.5900 . . 1 . . . . 33 THR CB . 15913 1 73 . 1 1 30 30 THR CG2 C 13 22.0400 . . 1 . . . . 33 THR CG2 . 15913 1 74 . 1 1 30 30 THR N N 15 113.8300 . . 1 . . . . 33 THR N . 15913 1 75 . 1 1 31 31 LEU H H 1 8.6600 . . 1 . . . . 34 LEU HN . 15913 1 76 . 1 1 31 31 LEU HA H 1 4.8860 . . 1 . . . . 34 LEU HA . 15913 1 77 . 1 1 31 31 LEU HB2 H 1 1.6800 . . 2 . . . . 34 LEU HB1 . 15913 1 78 . 1 1 31 31 LEU HB3 H 1 1.4400 . . 2 . . . . 34 LEU HB2 . 15913 1 79 . 1 1 31 31 LEU HD11 H 1 0.5700 . . 2 . . . . 34 LEU HD1# . 15913 1 80 . 1 1 31 31 LEU HD12 H 1 0.5700 . . 2 . . . . 34 LEU HD1# . 15913 1 81 . 1 1 31 31 LEU HD13 H 1 0.5700 . . 2 . . . . 34 LEU HD1# . 15913 1 82 . 1 1 31 31 LEU HD21 H 1 0.8640 . . 2 . . . . 34 LEU HD2# . 15913 1 83 . 1 1 31 31 LEU HD22 H 1 0.8640 . . 2 . . . . 34 LEU HD2# . 15913 1 84 . 1 1 31 31 LEU HD23 H 1 0.8640 . . 2 . . . . 34 LEU HD2# . 15913 1 85 . 1 1 31 31 LEU HG H 1 1.5850 . . 1 . . . . 34 LEU HG . 15913 1 86 . 1 1 31 31 LEU C C 13 173.1300 . . 1 . . . . 34 LEU C . 15913 1 87 . 1 1 31 31 LEU CA C 13 53.7400 . . 1 . . . . 34 LEU CA . 15913 1 88 . 1 1 31 31 LEU CB C 13 45.1700 . . 1 . . . . 34 LEU CB . 15913 1 89 . 1 1 31 31 LEU CD1 C 13 27.1000 . . 2 . . . . 34 LEU CD1 . 15913 1 90 . 1 1 31 31 LEU CD2 C 13 25.7700 . . 2 . . . . 34 LEU CD2 . 15913 1 91 . 1 1 31 31 LEU CG C 13 27.1000 . . 1 . . . . 34 LEU CG . 15913 1 92 . 1 1 31 31 LEU N N 15 122.8200 . . 1 . . . . 34 LEU N . 15913 1 93 . 1 1 32 32 ASN H H 1 9.1500 . . 1 . . . . 35 ASN HN . 15913 1 94 . 1 1 32 32 ASN HA H 1 5.1200 . . 1 . . . . 35 ASN HA . 15913 1 95 . 1 1 32 32 ASN HB2 H 1 2.8830 . . 2 . . . . 35 ASN HB1 . 15913 1 96 . 1 1 32 32 ASN HB3 H 1 2.7860 . . 2 . . . . 35 ASN HB2 . 15913 1 97 . 1 1 32 32 ASN C C 13 172.8400 . . 1 . . . . 35 ASN C . 15913 1 98 . 1 1 32 32 ASN CA C 13 52.8700 . . 1 . . . . 35 ASN CA . 15913 1 99 . 1 1 32 32 ASN CB C 13 39.2700 . . 1 . . . . 35 ASN CB . 15913 1 100 . 1 1 32 32 ASN N N 15 126.3600 . . 1 . . . . 35 ASN N . 15913 1 101 . 1 1 33 33 TYR H H 1 8.1100 . . 1 . . . . 36 TYR HN . 15913 1 102 . 1 1 33 33 TYR HA H 1 5.4060 . . 1 . . . . 36 TYR HA . 15913 1 103 . 1 1 33 33 TYR HB2 H 1 2.7000 . . 2 . . . . 36 TYR HB2 . 15913 1 104 . 1 1 33 33 TYR HD1 H 1 6.9400 . . 3 . . . . 36 TYR HD1 . 15913 1 105 . 1 1 33 33 TYR HE1 H 1 6.8500 . . 3 . . . . 36 TYR HE1 . 15913 1 106 . 1 1 33 33 TYR C C 13 170.6300 . . 1 . . . . 36 TYR C . 15913 1 107 . 1 1 33 33 TYR CA C 13 55.7100 . . 1 . . . . 36 TYR CA . 15913 1 108 . 1 1 33 33 TYR CB C 13 41.8800 . . 1 . . . . 36 TYR CB . 15913 1 109 . 1 1 33 33 TYR CD1 C 13 132.9400 . . 3 . . . . 36 TYR CD1 . 15913 1 110 . 1 1 33 33 TYR CE1 C 13 118.2600 . . 3 . . . . 36 TYR CE1 . 15913 1 111 . 1 1 33 33 TYR N N 15 118.4700 . . 1 . . . . 36 TYR N . 15913 1 112 . 1 1 34 34 GLU H H 1 8.2100 . . 1 . . . . 37 GLU HN . 15913 1 113 . 1 1 34 34 GLU HA H 1 4.0400 . . 1 . . . . 37 GLU HA . 15913 1 114 . 1 1 34 34 GLU HB2 H 1 1.4400 . . 2 . . . . 37 GLU HB1 . 15913 1 115 . 1 1 34 34 GLU HB3 H 1 1.5900 . . 2 . . . . 37 GLU HB2 . 15913 1 116 . 1 1 34 34 GLU HG2 H 1 1.8840 . . 2 . . . . 37 GLU HG2 . 15913 1 117 . 1 1 34 34 GLU C C 13 172.1600 . . 1 . . . . 37 GLU C . 15913 1 118 . 1 1 34 34 GLU CA C 13 54.8800 . . 1 . . . . 37 GLU CA . 15913 1 119 . 1 1 34 34 GLU CB C 13 34.3700 . . 1 . . . . 37 GLU CB . 15913 1 120 . 1 1 34 34 GLU CG C 13 36.1000 . . 1 . . . . 37 GLU CG . 15913 1 121 . 1 1 34 34 GLU N N 15 116.9800 . . 1 . . . . 37 GLU N . 15913 1 122 . 1 1 35 35 VAL H H 1 7.4000 . . 1 . . . . 38 VAL HN . 15913 1 123 . 1 1 35 35 VAL HA H 1 3.9320 . . 1 . . . . 38 VAL HA . 15913 1 124 . 1 1 35 35 VAL HB H 1 1.3600 . . 1 . . . . 38 VAL HB . 15913 1 125 . 1 1 35 35 VAL HG11 H 1 0.0100 . . 2 . . . . 38 VAL HG1# . 15913 1 126 . 1 1 35 35 VAL HG12 H 1 0.0100 . . 2 . . . . 38 VAL HG1# . 15913 1 127 . 1 1 35 35 VAL HG13 H 1 0.0100 . . 2 . . . . 38 VAL HG1# . 15913 1 128 . 1 1 35 35 VAL HG21 H 1 0.2660 . . 2 . . . . 38 VAL HG2# . 15913 1 129 . 1 1 35 35 VAL HG22 H 1 0.2660 . . 2 . . . . 38 VAL HG2# . 15913 1 130 . 1 1 35 35 VAL HG23 H 1 0.2660 . . 2 . . . . 38 VAL HG2# . 15913 1 131 . 1 1 35 35 VAL C C 13 173.5600 . . 1 . . . . 38 VAL C . 15913 1 132 . 1 1 35 35 VAL CA C 13 62.0900 . . 1 . . . . 38 VAL CA . 15913 1 133 . 1 1 35 35 VAL CB C 13 31.9800 . . 1 . . . . 38 VAL CB . 15913 1 134 . 1 1 35 35 VAL CG1 C 13 20.3400 . . 2 . . . . 38 VAL CG1 . 15913 1 135 . 1 1 35 35 VAL CG2 C 13 22.3700 . . 2 . . . . 38 VAL CG2 . 15913 1 136 . 1 1 35 35 VAL N N 15 121.0100 . . 1 . . . . 38 VAL N . 15913 1 137 . 1 1 36 36 TYR H H 1 9.6000 . . 1 . . . . 39 TYR HN . 15913 1 138 . 1 1 36 36 TYR HA H 1 4.9860 . . 1 . . . . 39 TYR HA . 15913 1 139 . 1 1 36 36 TYR HB2 H 1 2.9700 . . 1 . . . . 39 TYR HB1 . 15913 1 140 . 1 1 36 36 TYR HB3 H 1 2.6900 . . 1 . . . . 39 TYR HB2 . 15913 1 141 . 1 1 36 36 TYR HD1 H 1 6.6100 . . 3 . . . . 39 TYR HD1 . 15913 1 142 . 1 1 36 36 TYR HE1 H 1 6.5400 . . 3 . . . . 39 TYR HE1 . 15913 1 143 . 1 1 36 36 TYR C C 13 175.4900 . . 1 . . . . 39 TYR C . 15913 1 144 . 1 1 36 36 TYR CA C 13 53.9800 . . 1 . . . . 39 TYR CA . 15913 1 145 . 1 1 36 36 TYR CB C 13 39.4400 . . 1 . . . . 39 TYR CB . 15913 1 146 . 1 1 36 36 TYR CD1 C 13 131.9500 . . 3 . . . . 39 TYR CD1 . 15913 1 147 . 1 1 36 36 TYR CE1 C 13 118.0800 . . 3 . . . . 39 TYR CE1 . 15913 1 148 . 1 1 36 36 TYR N N 15 128.4300 . . 1 . . . . 39 TYR N . 15913 1 149 . 1 1 37 37 LYS H H 1 8.5200 . . 1 . . . . 40 LYS HN . 15913 1 150 . 1 1 37 37 LYS HA H 1 4.5130 . . 1 . . . . 40 LYS HA . 15913 1 151 . 1 1 37 37 LYS HB2 H 1 1.7500 . . 2 . . . . 40 LYS HB1 . 15913 1 152 . 1 1 37 37 LYS HB3 H 1 1.6800 . . 2 . . . . 40 LYS HB2 . 15913 1 153 . 1 1 37 37 LYS HE2 H 1 3.1000 . . 2 . . . . 40 LYS HE1 . 15913 1 154 . 1 1 37 37 LYS HE3 H 1 3.0200 . . 2 . . . . 40 LYS HE2 . 15913 1 155 . 1 1 37 37 LYS HG2 H 1 1.4800 . . 2 . . . . 40 LYS HG2 . 15913 1 156 . 1 1 37 37 LYS C C 13 177.2000 . . 1 . . . . 40 LYS C . 15913 1 157 . 1 1 37 37 LYS CA C 13 56.2200 . . 1 . . . . 40 LYS CA . 15913 1 158 . 1 1 37 37 LYS CB C 13 31.6400 . . 1 . . . . 40 LYS CB . 15913 1 159 . 1 1 37 37 LYS CE C 13 42.1400 . . 1 . . . . 40 LYS CE . 15913 1 160 . 1 1 37 37 LYS CG C 13 24.6800 . . 1 . . . . 40 LYS CG . 15913 1 161 . 1 1 37 37 LYS N N 15 122.6100 . . 1 . . . . 40 LYS N . 15913 1 162 . 1 1 38 38 TYR H H 1 9.2400 . . 1 . . . . 41 TYR HN . 15913 1 163 . 1 1 38 38 TYR HA H 1 4.4850 . . 1 . . . . 41 TYR HA . 15913 1 164 . 1 1 38 38 TYR HB2 H 1 2.9300 . . 2 . . . . 41 TYR HB1 . 15913 1 165 . 1 1 38 38 TYR HB3 H 1 2.8600 . . 2 . . . . 41 TYR HB2 . 15913 1 166 . 1 1 38 38 TYR HD1 H 1 7.0700 . . 3 . . . . 41 TYR HD1 . 15913 1 167 . 1 1 38 38 TYR HE1 H 1 6.8000 . . 3 . . . . 41 TYR HE1 . 15913 1 168 . 1 1 38 38 TYR C C 13 175.1200 . . 1 . . . . 41 TYR C . 15913 1 169 . 1 1 38 38 TYR CA C 13 57.9900 . . 1 . . . . 41 TYR CA . 15913 1 170 . 1 1 38 38 TYR CB C 13 39.7600 . . 1 . . . . 41 TYR CB . 15913 1 171 . 1 1 38 38 TYR CD1 C 13 133.0700 . . 3 . . . . 41 TYR CD1 . 15913 1 172 . 1 1 38 38 TYR CE1 C 13 118.2900 . . 3 . . . . 41 TYR CE1 . 15913 1 173 . 1 1 38 38 TYR N N 15 129.1300 . . 1 . . . . 41 TYR N . 15913 1 174 . 1 1 39 39 ASN H H 1 8.6800 . . 1 . . . . 42 ASN HN . 15913 1 175 . 1 1 39 39 ASN HA H 1 4.1120 . . 1 . . . . 42 ASN HA . 15913 1 176 . 1 1 39 39 ASN HB2 H 1 2.9160 . . 2 . . . . 42 ASN HB1 . 15913 1 177 . 1 1 39 39 ASN HB3 H 1 2.0490 . . 2 . . . . 42 ASN HB2 . 15913 1 178 . 1 1 39 39 ASN HD21 H 1 6.4500 . . 2 . . . . 42 ASN HD21 . 15913 1 179 . 1 1 39 39 ASN HD22 H 1 7.1000 . . 2 . . . . 42 ASN HD22 . 15913 1 180 . 1 1 39 39 ASN C C 13 173.1600 . . 1 . . . . 42 ASN C . 15913 1 181 . 1 1 39 39 ASN CA C 13 53.7000 . . 1 . . . . 42 ASN CA . 15913 1 182 . 1 1 39 39 ASN CB C 13 37.1100 . . 1 . . . . 42 ASN CB . 15913 1 183 . 1 1 39 39 ASN N N 15 120.8000 . . 1 . . . . 42 ASN N . 15913 1 184 . 1 1 39 39 ASN ND2 N 15 110.8600 . . 1 . . . . 42 ASN ND2 . 15913 1 185 . 1 1 40 40 THR H H 1 8.0600 . . 1 . . . . 43 THR HN . 15913 1 186 . 1 1 40 40 THR HA H 1 4.7600 . . 1 . . . . 43 THR HA . 15913 1 187 . 1 1 40 40 THR HB H 1 4.1300 . . 1 . . . . 43 THR HB . 15913 1 188 . 1 1 40 40 THR HG21 H 1 1.0500 . . 1 . . . . 43 THR HG2# . 15913 1 189 . 1 1 40 40 THR HG22 H 1 1.0500 . . 1 . . . . 43 THR HG2# . 15913 1 190 . 1 1 40 40 THR HG23 H 1 1.0500 . . 1 . . . . 43 THR HG2# . 15913 1 191 . 1 1 40 40 THR C C 13 172.0200 . . 1 . . . . 43 THR C . 15913 1 192 . 1 1 40 40 THR CA C 13 60.4700 . . 1 . . . . 43 THR CA . 15913 1 193 . 1 1 40 40 THR CB C 13 72.5500 . . 1 . . . . 43 THR CB . 15913 1 194 . 1 1 40 40 THR CG2 C 13 21.0000 . . 1 . . . . 43 THR CG2 . 15913 1 195 . 1 1 40 40 THR N N 15 109.2400 . . 1 . . . . 43 THR N . 15913 1 196 . 1 1 41 41 ASN H H 1 8.1100 . . 1 . . . . 44 ASN HN . 15913 1 197 . 1 1 41 41 ASN HA H 1 4.4600 . . 1 . . . . 44 ASN HA . 15913 1 198 . 1 1 41 41 ASN HB2 H 1 2.7000 . . 2 . . . . 44 ASN HB1 . 15913 1 199 . 1 1 41 41 ASN HB3 H 1 2.2350 . . 2 . . . . 44 ASN HB2 . 15913 1 200 . 1 1 41 41 ASN HD21 H 1 7.3800 . . 2 . . . . 44 ASN HD21 . 15913 1 201 . 1 1 41 41 ASN HD22 H 1 6.8300 . . 2 . . . . 44 ASN HD22 . 15913 1 202 . 1 1 41 41 ASN C C 13 172.8600 . . 1 . . . . 44 ASN C . 15913 1 203 . 1 1 41 41 ASN CA C 13 51.8900 . . 1 . . . . 44 ASN CA . 15913 1 204 . 1 1 41 41 ASN CB C 13 38.7100 . . 1 . . . . 44 ASN CB . 15913 1 205 . 1 1 41 41 ASN N N 15 115.7500 . . 1 . . . . 44 ASN N . 15913 1 206 . 1 1 41 41 ASN ND2 N 15 114.7200 . . 1 . . . . 44 ASN ND2 . 15913 1 207 . 1 1 42 42 ASP H H 1 8.4300 . . 1 . . . . 45 ASP HN . 15913 1 208 . 1 1 42 42 ASP HA H 1 4.5300 . . 1 . . . . 45 ASP HA . 15913 1 209 . 1 1 42 42 ASP HB2 H 1 2.3700 . . 2 . . . . 45 ASP HB2 . 15913 1 210 . 1 1 42 42 ASP C C 13 173.7300 . . 1 . . . . 45 ASP C . 15913 1 211 . 1 1 42 42 ASP CA C 13 52.5600 . . 1 . . . . 45 ASP CA . 15913 1 212 . 1 1 42 42 ASP CB C 13 42.4300 . . 1 . . . . 45 ASP CB . 15913 1 213 . 1 1 42 42 ASP N N 15 120.4000 . . 1 . . . . 45 ASP N . 15913 1 214 . 1 1 43 43 THR H H 1 8.2200 . . 1 . . . . 46 THR HN . 15913 1 215 . 1 1 43 43 THR HA H 1 3.7900 . . 1 . . . . 46 THR HA . 15913 1 216 . 1 1 43 43 THR HB H 1 3.5400 . . 1 . . . . 46 THR HB . 15913 1 217 . 1 1 43 43 THR HG21 H 1 1.0200 . . 1 . . . . 46 THR HG2# . 15913 1 218 . 1 1 43 43 THR HG22 H 1 1.0200 . . 1 . . . . 46 THR HG2# . 15913 1 219 . 1 1 43 43 THR HG23 H 1 1.0200 . . 1 . . . . 46 THR HG2# . 15913 1 220 . 1 1 43 43 THR C C 13 172.8600 . . 1 . . . . 46 THR C . 15913 1 221 . 1 1 43 43 THR CA C 13 64.3300 . . 1 . . . . 46 THR CA . 15913 1 222 . 1 1 43 43 THR CB C 13 69.0600 . . 1 . . . . 46 THR CB . 15913 1 223 . 1 1 43 43 THR CG2 C 13 22.1900 . . 1 . . . . 46 THR CG2 . 15913 1 224 . 1 1 43 43 THR N N 15 118.4100 . . 1 . . . . 46 THR N . 15913 1 225 . 1 1 44 44 SER H H 1 8.6800 . . 1 . . . . 47 SER HN . 15913 1 226 . 1 1 44 44 SER HA H 1 4.4600 . . 1 . . . . 47 SER HA . 15913 1 227 . 1 1 44 44 SER HB2 H 1 3.6000 . . 2 . . . . 47 SER HB1 . 15913 1 228 . 1 1 44 44 SER HB3 H 1 4.4000 . . 2 . . . . 47 SER HB2 . 15913 1 229 . 1 1 44 44 SER C C 13 176.7800 . . 1 . . . . 47 SER C . 15913 1 230 . 1 1 44 44 SER CA C 13 56.2200 . . 1 . . . . 47 SER CA . 15913 1 231 . 1 1 44 44 SER CB C 13 62.9600 . . 1 . . . . 47 SER CB . 15913 1 232 . 1 1 44 44 SER N N 15 120.3600 . . 1 . . . . 47 SER N . 15913 1 233 . 1 1 45 45 ILE H H 1 8.8300 . . 1 . . . . 48 ILE HN . 15913 1 234 . 1 1 45 45 ILE HA H 1 1.9310 . . 1 . . . . 48 ILE HA . 15913 1 235 . 1 1 45 45 ILE HD11 H 1 -1.9500 . . 1 . . . . 48 ILE HD1# . 15913 1 236 . 1 1 45 45 ILE HD12 H 1 -1.9500 . . 1 . . . . 48 ILE HD1# . 15913 1 237 . 1 1 45 45 ILE HD13 H 1 -1.9500 . . 1 . . . . 48 ILE HD1# . 15913 1 238 . 1 1 45 45 ILE HG12 H 1 -0.7500 . . 2 . . . . 48 ILE HG11 . 15913 1 239 . 1 1 45 45 ILE HG13 H 1 -1.0800 . . 2 . . . . 48 ILE HG12 . 15913 1 240 . 1 1 45 45 ILE C C 13 174.4400 . . 1 . . . . 48 ILE C . 15913 1 241 . 1 1 45 45 ILE CA C 13 62.7500 . . 1 . . . . 48 ILE CA . 15913 1 242 . 1 1 45 45 ILE CB C 13 34.4300 . . 1 . . . . 48 ILE CB . 15913 1 243 . 1 1 45 45 ILE CD1 C 13 9.5700 . . 1 . . . . 48 ILE CD1 . 15913 1 244 . 1 1 45 45 ILE CG1 C 13 27.7400 . . 1 . . . . 48 ILE CG1 . 15913 1 245 . 1 1 45 45 ILE CG2 C 13 9.8500 . . 1 . . . . 48 ILE CG2 . 15913 1 246 . 1 1 45 45 ILE N N 15 105.0300 . . 1 . . . . 48 ILE N . 15913 1 247 . 1 1 46 46 ALA H H 1 7.9900 . . 1 . . . . 49 ALA HN . 15913 1 248 . 1 1 46 46 ALA HA H 1 3.5300 . . 1 . . . . 49 ALA HA . 15913 1 249 . 1 1 46 46 ALA HB1 H 1 1.9000 . . 1 . . . . 49 ALA HB# . 15913 1 250 . 1 1 46 46 ALA HB2 H 1 1.9000 . . 1 . . . . 49 ALA HB# . 15913 1 251 . 1 1 46 46 ALA HB3 H 1 1.9000 . . 1 . . . . 49 ALA HB# . 15913 1 252 . 1 1 46 46 ALA C C 13 177.8700 . . 1 . . . . 49 ALA C . 15913 1 253 . 1 1 46 46 ALA CA C 13 52.6300 . . 1 . . . . 49 ALA CA . 15913 1 254 . 1 1 46 46 ALA CB C 13 20.0100 . . 1 . . . . 49 ALA CB . 15913 1 255 . 1 1 46 46 ALA N N 15 116.4900 . . 1 . . . . 49 ALA N . 15913 1 256 . 1 1 47 47 ASN H H 1 7.2000 . . 1 . . . . 50 ASN HN . 15913 1 257 . 1 1 47 47 ASN HA H 1 4.0300 . . 1 . . . . 50 ASN HA . 15913 1 258 . 1 1 47 47 ASN HB2 H 1 2.8330 . . 2 . . . . 50 ASN HB1 . 15913 1 259 . 1 1 47 47 ASN HB3 H 1 2.4300 . . 2 . . . . 50 ASN HB2 . 15913 1 260 . 1 1 47 47 ASN C C 13 175.6200 . . 1 . . . . 50 ASN C . 15913 1 261 . 1 1 47 47 ASN CA C 13 57.8600 . . 1 . . . . 50 ASN CA . 15913 1 262 . 1 1 47 47 ASN CB C 13 39.7700 . . 1 . . . . 50 ASN CB . 15913 1 263 . 1 1 47 47 ASN N N 15 111.9400 . . 1 . . . . 50 ASN N . 15913 1 264 . 1 1 48 48 ASP H H 1 6.8800 . . 1 . . . . 51 ASP HN . 15913 1 265 . 1 1 48 48 ASP HA H 1 4.1000 . . 1 . . . . 51 ASP HA . 15913 1 266 . 1 1 48 48 ASP HB2 H 1 1.3700 . . 1 . . . . 51 ASP HB1 . 15913 1 267 . 1 1 48 48 ASP HB3 H 1 1.9700 . . 1 . . . . 51 ASP HB2 . 15913 1 268 . 1 1 48 48 ASP C C 13 175.6400 . . 1 . . . . 51 ASP C . 15913 1 269 . 1 1 48 48 ASP CA C 13 55.9800 . . 1 . . . . 51 ASP CA . 15913 1 270 . 1 1 48 48 ASP CB C 13 40.1700 . . 1 . . . . 51 ASP CB . 15913 1 271 . 1 1 48 48 ASP N N 15 114.1900 . . 1 . . . . 51 ASP N . 15913 1 272 . 1 1 50 50 PHE H H 1 7.3900 . . 1 . . . . 53 PHE HN . 15913 1 273 . 1 1 50 50 PHE HA H 1 4.6300 . . 1 . . . . 53 PHE HA . 15913 1 274 . 1 1 50 50 PHE HB2 H 1 2.6820 . . 2 . . . . 53 PHE HB1 . 15913 1 275 . 1 1 50 50 PHE HB3 H 1 4.0400 . . 2 . . . . 53 PHE HB2 . 15913 1 276 . 1 1 50 50 PHE HD1 H 1 7.7000 . . 3 . . . . 53 PHE HD# . 15913 1 277 . 1 1 50 50 PHE HD2 H 1 7.7000 . . 3 . . . . 53 PHE HD# . 15913 1 278 . 1 1 50 50 PHE C C 13 175.4600 . . 1 . . . . 53 PHE C . 15913 1 279 . 1 1 50 50 PHE CA C 13 57.4700 . . 1 . . . . 53 PHE CA . 15913 1 280 . 1 1 50 50 PHE CB C 13 38.2200 . . 1 . . . . 53 PHE CB . 15913 1 281 . 1 1 50 50 PHE CD1 C 13 131.7200 . . 3 . . . . 53 PHE CD1 . 15913 1 282 . 1 1 50 50 PHE N N 15 119.8600 . . 1 . . . . 53 PHE N . 15913 1 283 . 1 1 51 51 ASN H H 1 9.2500 . . 1 . . . . 54 ASN HN . 15913 1 284 . 1 1 51 51 ASN HA H 1 4.7500 . . 1 . . . . 54 ASN HA . 15913 1 285 . 1 1 51 51 ASN HB2 H 1 2.9100 . . 2 . . . . 54 ASN HB2 . 15913 1 286 . 1 1 51 51 ASN C C 13 175.6600 . . 1 . . . . 54 ASN C . 15913 1 287 . 1 1 51 51 ASN CA C 13 52.9600 . . 1 . . . . 54 ASN CA . 15913 1 288 . 1 1 51 51 ASN CB C 13 36.5300 . . 1 . . . . 54 ASN CB . 15913 1 289 . 1 1 51 51 ASN N N 15 126.5400 . . 1 . . . . 54 ASN N . 15913 1 290 . 1 1 52 52 LYS H H 1 9.3100 . . 1 . . . . 55 LYS HN . 15913 1 291 . 1 1 52 52 LYS HA H 1 4.8400 . . 1 . . . . 55 LYS HA . 15913 1 292 . 1 1 52 52 LYS HB2 H 1 1.6600 . . 2 . . . . 55 LYS HB1 . 15913 1 293 . 1 1 52 52 LYS HB3 H 1 2.0800 . . 2 . . . . 55 LYS HB2 . 15913 1 294 . 1 1 52 52 LYS C C 13 173.9000 . . 1 . . . . 55 LYS C . 15913 1 295 . 1 1 52 52 LYS CA C 13 53.6300 . . 1 . . . . 55 LYS CA . 15913 1 296 . 1 1 52 52 LYS CB C 13 32.6900 . . 1 . . . . 55 LYS CB . 15913 1 297 . 1 1 52 52 LYS N N 15 125.9200 . . 1 . . . . 55 LYS N . 15913 1 298 . 1 1 53 53 PRO HA H 1 4.8660 . . 1 . . . . 56 PRO HA . 15913 1 299 . 1 1 53 53 PRO HB2 H 1 2.4900 . . 2 . . . . 56 PRO HB2 . 15913 1 300 . 1 1 53 53 PRO HD2 H 1 3.4700 . . 2 . . . . 56 PRO HD1 . 15913 1 301 . 1 1 53 53 PRO HD3 H 1 3.6300 . . 2 . . . . 56 PRO HD2 . 15913 1 302 . 1 1 53 53 PRO HG2 H 1 1.7300 . . 2 . . . . 56 PRO HG1 . 15913 1 303 . 1 1 53 53 PRO HG3 H 1 2.0300 . . 2 . . . . 56 PRO HG2 . 15913 1 304 . 1 1 53 53 PRO CA C 13 63.5000 . . 1 . . . . 56 PRO CA . 15913 1 305 . 1 1 53 53 PRO CB C 13 34.9600 . . 1 . . . . 56 PRO CB . 15913 1 306 . 1 1 53 53 PRO CD C 13 49.6800 . . 1 . . . . 56 PRO CD . 15913 1 307 . 1 1 53 53 PRO CG C 13 24.2000 . . 1 . . . . 56 PRO CG . 15913 1 308 . 1 1 54 54 ALA H H 1 8.9400 . . 1 . . . . 57 ALA HN . 15913 1 309 . 1 1 54 54 ALA HA H 1 5.1800 . . 1 . . . . 57 ALA HA . 15913 1 310 . 1 1 54 54 ALA HB1 H 1 1.5400 . . 1 . . . . 57 ALA HB# . 15913 1 311 . 1 1 54 54 ALA HB2 H 1 1.5400 . . 1 . . . . 57 ALA HB# . 15913 1 312 . 1 1 54 54 ALA HB3 H 1 1.5400 . . 1 . . . . 57 ALA HB# . 15913 1 313 . 1 1 54 54 ALA C C 13 175.6600 . . 1 . . . . 57 ALA C . 15913 1 314 . 1 1 54 54 ALA CA C 13 51.3900 . . 1 . . . . 57 ALA CA . 15913 1 315 . 1 1 54 54 ALA CB C 13 21.5200 . . 1 . . . . 57 ALA CB . 15913 1 316 . 1 1 54 54 ALA N N 15 120.3500 . . 1 . . . . 57 ALA N . 15913 1 317 . 1 1 55 55 LYS H H 1 8.1300 . . 1 . . . . 58 LYS HN . 15913 1 318 . 1 1 55 55 LYS HA H 1 5.2380 . . 1 . . . . 58 LYS HA . 15913 1 319 . 1 1 55 55 LYS HB2 H 1 1.7400 . . 2 . . . . 58 LYS HB1 . 15913 1 320 . 1 1 55 55 LYS HB3 H 1 1.6800 . . 2 . . . . 58 LYS HB2 . 15913 1 321 . 1 1 55 55 LYS C C 13 174.4000 . . 1 . . . . 58 LYS C . 15913 1 322 . 1 1 55 55 LYS CA C 13 54.8400 . . 1 . . . . 58 LYS CA . 15913 1 323 . 1 1 55 55 LYS CB C 13 36.0300 . . 1 . . . . 58 LYS CB . 15913 1 324 . 1 1 55 55 LYS N N 15 119.6900 . . 1 . . . . 58 LYS N . 15913 1 325 . 1 1 56 56 TYR H H 1 8.7000 . . 1 . . . . 59 TYR HN . 15913 1 326 . 1 1 56 56 TYR HA H 1 5.8700 . . 1 . . . . 59 TYR HA . 15913 1 327 . 1 1 56 56 TYR HB2 H 1 3.0400 . . 2 . . . . 59 TYR HB1 . 15913 1 328 . 1 1 56 56 TYR HB3 H 1 2.5181 . . 2 . . . . 59 TYR HB2 . 15913 1 329 . 1 1 56 56 TYR HD1 H 1 6.5400 . . 3 . . . . 59 TYR HD1 . 15913 1 330 . 1 1 56 56 TYR HE1 H 1 6.5500 . . 3 . . . . 59 TYR HE1 . 15913 1 331 . 1 1 56 56 TYR C C 13 172.3400 . . 1 . . . . 59 TYR C . 15913 1 332 . 1 1 56 56 TYR CA C 13 55.3601 . . 1 . . . . 59 TYR CA . 15913 1 333 . 1 1 56 56 TYR CB C 13 42.6800 . . 1 . . . . 59 TYR CB . 15913 1 334 . 1 1 56 56 TYR CD1 C 13 133.1900 . . 3 . . . . 59 TYR CD1 . 15913 1 335 . 1 1 56 56 TYR CE1 C 13 117.0400 . . 3 . . . . 59 TYR CE1 . 15913 1 336 . 1 1 56 56 TYR N N 15 119.4200 . . 1 . . . . 59 TYR N . 15913 1 337 . 1 1 57 57 ILE H H 1 9.1200 . . 1 . . . . 60 ILE HN . 15913 1 338 . 1 1 57 57 ILE HA H 1 4.5900 . . 1 . . . . 60 ILE HA . 15913 1 339 . 1 1 57 57 ILE HB H 1 1.6100 . . 1 . . . . 60 ILE HB . 15913 1 340 . 1 1 57 57 ILE HD11 H 1 0.6500 . . 1 . . . . 60 ILE HD1# . 15913 1 341 . 1 1 57 57 ILE HD12 H 1 0.6500 . . 1 . . . . 60 ILE HD1# . 15913 1 342 . 1 1 57 57 ILE HD13 H 1 0.6500 . . 1 . . . . 60 ILE HD1# . 15913 1 343 . 1 1 57 57 ILE HG12 H 1 1.3300 . . 2 . . . . 60 ILE HG11 . 15913 1 344 . 1 1 57 57 ILE HG13 H 1 0.9000 . . 2 . . . . 60 ILE HG12 . 15913 1 345 . 1 1 57 57 ILE HG21 H 1 0.7400 . . 1 . . . . 60 ILE HG2# . 15913 1 346 . 1 1 57 57 ILE HG22 H 1 0.7400 . . 1 . . . . 60 ILE HG2# . 15913 1 347 . 1 1 57 57 ILE HG23 H 1 0.7400 . . 1 . . . . 60 ILE HG2# . 15913 1 348 . 1 1 57 57 ILE C C 13 172.6600 . . 1 . . . . 60 ILE C . 15913 1 349 . 1 1 57 57 ILE CA C 13 60.6000 . . 1 . . . . 60 ILE CA . 15913 1 350 . 1 1 57 57 ILE CB C 13 42.9500 . . 1 . . . . 60 ILE CB . 15913 1 351 . 1 1 57 57 ILE CD1 C 13 14.2300 . . 1 . . . . 60 ILE CD1 . 15913 1 352 . 1 1 57 57 ILE CG1 C 13 28.3300 . . 1 . . . . 60 ILE CG1 . 15913 1 353 . 1 1 57 57 ILE CG2 C 13 17.9000 . . 1 . . . . 60 ILE CG2 . 15913 1 354 . 1 1 57 57 ILE N N 15 119.8700 . . 1 . . . . 60 ILE N . 15913 1 355 . 1 1 58 58 LYS H H 1 8.6500 . . 1 . . . . 61 LYS HN . 15913 1 356 . 1 1 58 58 LYS HA H 1 5.2950 . . 1 . . . . 61 LYS HA . 15913 1 357 . 1 1 58 58 LYS HB2 H 1 1.9090 . . 1 . . . . 61 LYS HB1 . 15913 1 358 . 1 1 58 58 LYS HB3 H 1 1.7070 . . 1 . . . . 61 LYS HB2 . 15913 1 359 . 1 1 58 58 LYS HG2 H 1 1.2560 . . 2 . . . . 61 LYS HG2 . 15913 1 360 . 1 1 58 58 LYS C C 13 174.7700 . . 1 . . . . 61 LYS C . 15913 1 361 . 1 1 58 58 LYS CA C 13 55.1200 . . 1 . . . . 61 LYS CA . 15913 1 362 . 1 1 58 58 LYS CB C 13 33.4700 . . 1 . . . . 61 LYS CB . 15913 1 363 . 1 1 58 58 LYS CG C 13 24.9900 . . 1 . . . . 61 LYS CG . 15913 1 364 . 1 1 58 58 LYS N N 15 126.2200 . . 1 . . . . 61 LYS N . 15913 1 365 . 1 1 59 59 LYS H H 1 8.5900 . . 1 . . . . 62 LYS HN . 15913 1 366 . 1 1 59 59 LYS HA H 1 4.6500 . . 1 . . . . 62 LYS HA . 15913 1 367 . 1 1 59 59 LYS HB2 H 1 1.7800 . . 2 . . . . 62 LYS HB1 . 15913 1 368 . 1 1 59 59 LYS HB3 H 1 1.5700 . . 2 . . . . 62 LYS HB2 . 15913 1 369 . 1 1 59 59 LYS C C 13 174.4200 . . 1 . . . . 62 LYS C . 15913 1 370 . 1 1 59 59 LYS CA C 13 55.4000 . . 1 . . . . 62 LYS CA . 15913 1 371 . 1 1 59 59 LYS CB C 13 34.7100 . . 1 . . . . 62 LYS CB . 15913 1 372 . 1 1 59 59 LYS N N 15 122.2000 . . 1 . . . . 62 LYS N . 15913 1 373 . 1 1 60 60 ASN H H 1 9.4200 . . 1 . . . . 63 ASN HN . 15913 1 374 . 1 1 60 60 ASN HA H 1 4.3700 . . 1 . . . . 63 ASN HA . 15913 1 375 . 1 1 60 60 ASN HB2 H 1 3.0300 . . 2 . . . . 63 ASN HB1 . 15913 1 376 . 1 1 60 60 ASN HB3 H 1 2.8970 . . 2 . . . . 63 ASN HB2 . 15913 1 377 . 1 1 60 60 ASN C C 13 173.8800 . . 1 . . . . 63 ASN C . 15913 1 378 . 1 1 60 60 ASN CA C 13 54.2000 . . 1 . . . . 63 ASN CA . 15913 1 379 . 1 1 60 60 ASN CB C 13 37.4500 . . 1 . . . . 63 ASN CB . 15913 1 380 . 1 1 60 60 ASN N N 15 120.7200 . . 1 . . . . 63 ASN N . 15913 1 381 . 1 1 61 61 GLY H H 1 8.7500 . . 1 . . . . 64 GLY HN . 15913 1 382 . 1 1 61 61 GLY HA2 H 1 4.0700 . . 2 . . . . 64 GLY HA1 . 15913 1 383 . 1 1 61 61 GLY HA3 H 1 3.5800 . . 2 . . . . 64 GLY HA2 . 15913 1 384 . 1 1 61 61 GLY C C 13 172.7000 . . 1 . . . . 64 GLY C . 15913 1 385 . 1 1 61 61 GLY CA C 13 45.6500 . . 1 . . . . 64 GLY CA . 15913 1 386 . 1 1 61 61 GLY N N 15 104.8100 . . 1 . . . . 64 GLY N . 15913 1 387 . 1 1 62 62 LYS H H 1 8.1100 . . 1 . . . . 65 LYS HN . 15913 1 388 . 1 1 62 62 LYS HA H 1 4.4791 . . 1 . . . . 65 LYS HA . 15913 1 389 . 1 1 62 62 LYS HB2 H 1 1.8460 . . 1 . . . . 65 LYS HB1 . 15913 1 390 . 1 1 62 62 LYS HB3 H 1 1.4201 . . 1 . . . . 65 LYS HB2 . 15913 1 391 . 1 1 62 62 LYS C C 13 172.6900 . . 1 . . . . 65 LYS C . 15913 1 392 . 1 1 62 62 LYS CA C 13 54.7300 . . 1 . . . . 65 LYS CA . 15913 1 393 . 1 1 62 62 LYS CB C 13 37.0500 . . 1 . . . . 65 LYS CB . 15913 1 394 . 1 1 62 62 LYS N N 15 121.9000 . . 1 . . . . 65 LYS N . 15913 1 395 . 1 1 63 63 LEU H H 1 8.2900 . . 1 . . . . 66 LEU HN . 15913 1 396 . 1 1 63 63 LEU HA H 1 4.7900 . . 1 . . . . 66 LEU HA . 15913 1 397 . 1 1 63 63 LEU HB2 H 1 0.8100 . . 1 . . . . 66 LEU HB1 . 15913 1 398 . 1 1 63 63 LEU HB3 H 1 1.9600 . . 1 . . . . 66 LEU HB2 . 15913 1 399 . 1 1 63 63 LEU HD11 H 1 0.6300 . . 2 . . . . 66 LEU HD1# . 15913 1 400 . 1 1 63 63 LEU HD12 H 1 0.6300 . . 2 . . . . 66 LEU HD1# . 15913 1 401 . 1 1 63 63 LEU HD13 H 1 0.6300 . . 2 . . . . 66 LEU HD1# . 15913 1 402 . 1 1 63 63 LEU HD21 H 1 0.5701 . . 2 . . . . 66 LEU HD2# . 15913 1 403 . 1 1 63 63 LEU HD22 H 1 0.5701 . . 2 . . . . 66 LEU HD2# . 15913 1 404 . 1 1 63 63 LEU HD23 H 1 0.5701 . . 2 . . . . 66 LEU HD2# . 15913 1 405 . 1 1 63 63 LEU HG H 1 1.4701 . . 1 . . . . 66 LEU HG . 15913 1 406 . 1 1 63 63 LEU C C 13 173.3900 . . 1 . . . . 66 LEU C . 15913 1 407 . 1 1 63 63 LEU CA C 13 53.4700 . . 1 . . . . 66 LEU CA . 15913 1 408 . 1 1 63 63 LEU CB C 13 43.9200 . . 1 . . . . 66 LEU CB . 15913 1 409 . 1 1 63 63 LEU CD1 C 13 23.5100 . . 2 . . . . 66 LEU CD1 . 15913 1 410 . 1 1 63 63 LEU CD2 C 13 25.0000 . . 2 . . . . 66 LEU CD2 . 15913 1 411 . 1 1 63 63 LEU CG C 13 26.1600 . . 1 . . . . 66 LEU CG . 15913 1 412 . 1 1 63 63 LEU N N 15 121.1300 . . 1 . . . . 66 LEU N . 15913 1 413 . 1 1 64 64 TYR H H 1 8.6300 . . 1 . . . . 67 TYR HN . 15913 1 414 . 1 1 64 64 TYR HA H 1 5.5100 . . 1 . . . . 67 TYR HA . 15913 1 415 . 1 1 64 64 TYR HB2 H 1 2.7500 . . 2 . . . . 67 TYR HB1 . 15913 1 416 . 1 1 64 64 TYR HB3 H 1 2.6300 . . 2 . . . . 67 TYR HB2 . 15913 1 417 . 1 1 64 64 TYR HD1 H 1 6.5500 . . 3 . . . . 67 TYR HD1 . 15913 1 418 . 1 1 64 64 TYR C C 13 174.8200 . . 1 . . . . 67 TYR C . 15913 1 419 . 1 1 64 64 TYR CA C 13 55.8600 . . 1 . . . . 67 TYR CA . 15913 1 420 . 1 1 64 64 TYR CB C 13 41.7800 . . 1 . . . . 67 TYR CB . 15913 1 421 . 1 1 64 64 TYR CD1 C 13 133.1200 . . 3 . . . . 67 TYR CD1 . 15913 1 422 . 1 1 64 64 TYR N N 15 116.9100 . . 1 . . . . 67 TYR N . 15913 1 423 . 1 1 65 65 VAL H H 1 9.1500 . . 1 . . . . 68 VAL HN . 15913 1 424 . 1 1 65 65 VAL HA H 1 5.2400 . . 1 . . . . 68 VAL HA . 15913 1 425 . 1 1 65 65 VAL HB H 1 1.6300 . . 1 . . . . 68 VAL HB . 15913 1 426 . 1 1 65 65 VAL HG11 H 1 0.4701 . . 2 . . . . 68 VAL HG1# . 15913 1 427 . 1 1 65 65 VAL HG12 H 1 0.4701 . . 2 . . . . 68 VAL HG1# . 15913 1 428 . 1 1 65 65 VAL HG13 H 1 0.4701 . . 2 . . . . 68 VAL HG1# . 15913 1 429 . 1 1 65 65 VAL HG21 H 1 0.6500 . . 2 . . . . 68 VAL HG2# . 15913 1 430 . 1 1 65 65 VAL HG22 H 1 0.6500 . . 2 . . . . 68 VAL HG2# . 15913 1 431 . 1 1 65 65 VAL HG23 H 1 0.6500 . . 2 . . . . 68 VAL HG2# . 15913 1 432 . 1 1 65 65 VAL C C 13 173.9000 . . 1 . . . . 68 VAL C . 15913 1 433 . 1 1 65 65 VAL CA C 13 58.8500 . . 1 . . . . 68 VAL CA . 15913 1 434 . 1 1 65 65 VAL CB C 13 35.2100 . . 1 . . . . 68 VAL CB . 15913 1 435 . 1 1 65 65 VAL CG1 C 13 21.9500 . . 2 . . . . 68 VAL CG1 . 15913 1 436 . 1 1 65 65 VAL CG2 C 13 20.1600 . . 2 . . . . 68 VAL CG2 . 15913 1 437 . 1 1 65 65 VAL N N 15 113.7600 . . 1 . . . . 68 VAL N . 15913 1 438 . 1 1 66 66 GLN H H 1 9.1800 . . 1 . . . . 69 GLN HN . 15913 1 439 . 1 1 66 66 GLN HA H 1 5.4800 . . 1 . . . . 69 GLN HA . 15913 1 440 . 1 1 66 66 GLN HB2 H 1 1.9400 . . 1 . . . . 69 GLN HB1 . 15913 1 441 . 1 1 66 66 GLN HB3 H 1 1.4500 . . 1 . . . . 69 GLN HB2 . 15913 1 442 . 1 1 66 66 GLN HG2 H 1 2.1400 . . 2 . . . . 69 GLN HG1 . 15913 1 443 . 1 1 66 66 GLN HG3 H 1 2.0100 . . 2 . . . . 69 GLN HG2 . 15913 1 444 . 1 1 66 66 GLN C C 13 174.7700 . . 1 . . . . 69 GLN C . 15913 1 445 . 1 1 66 66 GLN CA C 13 54.1300 . . 1 . . . . 69 GLN CA . 15913 1 446 . 1 1 66 66 GLN CB C 13 29.4900 . . 1 . . . . 69 GLN CB . 15913 1 447 . 1 1 66 66 GLN CG C 13 33.2200 . . 1 . . . . 69 GLN CG . 15913 1 448 . 1 1 66 66 GLN N N 15 121.8500 . . 1 . . . . 69 GLN N . 15913 1 449 . 1 1 67 67 ILE H H 1 9.4500 . . 1 . . . . 70 ILE HN . 15913 1 450 . 1 1 67 67 ILE HA H 1 4.6300 . . 1 . . . . 70 ILE HA . 15913 1 451 . 1 1 67 67 ILE HB H 1 1.9500 . . 1 . . . . 70 ILE HB . 15913 1 452 . 1 1 67 67 ILE HD11 H 1 0.5300 . . 1 . . . . 70 ILE HD1# . 15913 1 453 . 1 1 67 67 ILE HD12 H 1 0.5300 . . 1 . . . . 70 ILE HD1# . 15913 1 454 . 1 1 67 67 ILE HD13 H 1 0.5300 . . 1 . . . . 70 ILE HD1# . 15913 1 455 . 1 1 67 67 ILE HG12 H 1 1.4700 . . 2 . . . . 70 ILE HG11 . 15913 1 456 . 1 1 67 67 ILE HG13 H 1 0.9800 . . 2 . . . . 70 ILE HG12 . 15913 1 457 . 1 1 67 67 ILE HG21 H 1 1.3301 . . 1 . . . . 70 ILE HG2# . 15913 1 458 . 1 1 67 67 ILE HG22 H 1 1.3301 . . 1 . . . . 70 ILE HG2# . 15913 1 459 . 1 1 67 67 ILE HG23 H 1 1.3301 . . 1 . . . . 70 ILE HG2# . 15913 1 460 . 1 1 67 67 ILE C C 13 173.0300 . . 1 . . . . 70 ILE C . 15913 1 461 . 1 1 67 67 ILE CA C 13 59.7600 . . 1 . . . . 70 ILE CA . 15913 1 462 . 1 1 67 67 ILE CB C 13 43.0100 . . 1 . . . . 70 ILE CB . 15913 1 463 . 1 1 67 67 ILE CD1 C 13 13.1000 . . 1 . . . . 70 ILE CD1 . 15913 1 464 . 1 1 67 67 ILE CG1 C 13 28.1700 . . 1 . . . . 70 ILE CG1 . 15913 1 465 . 1 1 67 67 ILE CG2 C 13 17.7900 . . 1 . . . . 70 ILE CG2 . 15913 1 466 . 1 1 67 67 ILE N N 15 128.1500 . . 1 . . . . 70 ILE N . 15913 1 467 . 1 1 68 68 THR H H 1 9.7700 . . 1 . . . . 71 THR HN . 15913 1 468 . 1 1 68 68 THR HA H 1 5.7900 . . 1 . . . . 71 THR HA . 15913 1 469 . 1 1 68 68 THR HB H 1 4.0500 . . 1 . . . . 71 THR HB . 15913 1 470 . 1 1 68 68 THR HG21 H 1 1.0900 . . 1 . . . . 71 THR HG2# . 15913 1 471 . 1 1 68 68 THR HG22 H 1 1.0900 . . 1 . . . . 71 THR HG2# . 15913 1 472 . 1 1 68 68 THR HG23 H 1 1.0900 . . 1 . . . . 71 THR HG2# . 15913 1 473 . 1 1 68 68 THR C C 13 172.5600 . . 1 . . . . 71 THR C . 15913 1 474 . 1 1 68 68 THR CA C 13 60.8700 . . 1 . . . . 71 THR CA . 15913 1 475 . 1 1 68 68 THR CB C 13 70.3700 . . 1 . . . . 71 THR CB . 15913 1 476 . 1 1 68 68 THR CG2 C 13 21.8000 . . 1 . . . . 71 THR CG2 . 15913 1 477 . 1 1 68 68 THR N N 15 126.2400 . . 1 . . . . 71 THR N . 15913 1 478 . 1 1 69 69 VAL H H 1 8.7700 . . 1 . . . . 72 VAL HN . 15913 1 479 . 1 1 69 69 VAL HA H 1 5.1300 . . 1 . . . . 72 VAL HA . 15913 1 480 . 1 1 69 69 VAL HB H 1 2.3200 . . 1 . . . . 72 VAL HB . 15913 1 481 . 1 1 69 69 VAL HG11 H 1 0.4100 . . 2 . . . . 72 VAL HG1# . 15913 1 482 . 1 1 69 69 VAL HG12 H 1 0.4100 . . 2 . . . . 72 VAL HG1# . 15913 1 483 . 1 1 69 69 VAL HG13 H 1 0.4100 . . 2 . . . . 72 VAL HG1# . 15913 1 484 . 1 1 69 69 VAL HG21 H 1 0.8400 . . 2 . . . . 72 VAL HG2# . 15913 1 485 . 1 1 69 69 VAL HG22 H 1 0.8400 . . 2 . . . . 72 VAL HG2# . 15913 1 486 . 1 1 69 69 VAL HG23 H 1 0.8400 . . 2 . . . . 72 VAL HG2# . 15913 1 487 . 1 1 69 69 VAL C C 13 174.4000 . . 1 . . . . 72 VAL C . 15913 1 488 . 1 1 69 69 VAL CA C 13 58.2600 . . 1 . . . . 72 VAL CA . 15913 1 489 . 1 1 69 69 VAL CB C 13 33.2900 . . 1 . . . . 72 VAL CB . 15913 1 490 . 1 1 69 69 VAL CG1 C 13 21.9900 . . 2 . . . . 72 VAL CG1 . 15913 1 491 . 1 1 69 69 VAL CG2 C 13 18.6800 . . 2 . . . . 72 VAL CG2 . 15913 1 492 . 1 1 69 69 VAL N N 15 118.5100 . . 1 . . . . 72 VAL N . 15913 1 493 . 1 1 70 70 ASN H H 1 8.9700 . . 1 . . . . 73 ASN HN . 15913 1 494 . 1 1 70 70 ASN HA H 1 5.3400 . . 1 . . . . 73 ASN HA . 15913 1 495 . 1 1 70 70 ASN HB2 H 1 3.3700 . . 2 . . . . 73 ASN HB1 . 15913 1 496 . 1 1 70 70 ASN HB3 H 1 2.6400 . . 2 . . . . 73 ASN HB2 . 15913 1 497 . 1 1 70 70 ASN C C 13 172.0200 . . 1 . . . . 73 ASN C . 15913 1 498 . 1 1 70 70 ASN CA C 13 51.5600 . . 1 . . . . 73 ASN CA . 15913 1 499 . 1 1 70 70 ASN CB C 13 41.6400 . . 1 . . . . 73 ASN CB . 15913 1 500 . 1 1 70 70 ASN N N 15 117.7400 . . 1 . . . . 73 ASN N . 15913 1 501 . 1 1 71 71 HIS H H 1 8.8700 . . 1 . . . . 74 HIS HN . 15913 1 502 . 1 1 71 71 HIS HA H 1 4.1200 . . 1 . . . . 74 HIS HA . 15913 1 503 . 1 1 71 71 HIS C C 13 175.2700 . . 1 . . . . 74 HIS C . 15913 1 504 . 1 1 71 71 HIS CA C 13 57.5600 . . 1 . . . . 74 HIS CA . 15913 1 505 . 1 1 71 71 HIS N N 15 110.1300 . . 1 . . . . 74 HIS N . 15913 1 506 . 1 1 72 72 SER H H 1 8.1500 . . 1 . . . . 75 SER HN . 15913 1 507 . 1 1 72 72 SER HA H 1 3.8100 . . 1 . . . . 75 SER HA . 15913 1 508 . 1 1 72 72 SER CA C 13 61.2200 . . 1 . . . . 75 SER CA . 15913 1 509 . 1 1 72 72 SER CB C 13 62.4600 . . 1 . . . . 75 SER CB . 15913 1 510 . 1 1 72 72 SER N N 15 109.0300 . . 1 . . . . 75 SER N . 15913 1 511 . 1 1 73 73 HIS H H 1 10.3500 . . 1 . . . . 76 HIS HN . 15913 1 512 . 1 1 73 73 HIS HA H 1 4.1300 . . 1 . . . . 76 HIS HA . 15913 1 513 . 1 1 73 73 HIS C C 13 175.1200 . . 1 . . . . 76 HIS C . 15913 1 514 . 1 1 73 73 HIS CA C 13 57.7500 . . 1 . . . . 76 HIS CA . 15913 1 515 . 1 1 73 73 HIS CB C 13 26.3000 . . 1 . . . . 76 HIS CB . 15913 1 516 . 1 1 73 73 HIS N N 15 115.4300 . . 1 . . . . 76 HIS N . 15913 1 517 . 1 1 74 74 TRP H H 1 8.2900 . . 1 . . . . 77 TRP HN . 15913 1 518 . 1 1 74 74 TRP HA H 1 5.0600 . . 1 . . . . 77 TRP HA . 15913 1 519 . 1 1 74 74 TRP HE1 H 1 10.0600 . . 1 . . . . 77 TRP HE1 . 15913 1 520 . 1 1 74 74 TRP C C 13 174.2600 . . 1 . . . . 77 TRP C . 15913 1 521 . 1 1 74 74 TRP CA C 13 55.3900 . . 1 . . . . 77 TRP CA . 15913 1 522 . 1 1 74 74 TRP CB C 13 30.3700 . . 1 . . . . 77 TRP CB . 15913 1 523 . 1 1 74 74 TRP N N 15 121.0600 . . 1 . . . . 77 TRP N . 15913 1 524 . 1 1 74 74 TRP NE1 N 15 128.5600 . . 1 . . . . 77 TRP NE1 . 15913 1 525 . 1 1 75 75 ILE H H 1 8.0300 . . 1 . . . . 78 ILE HN . 15913 1 526 . 1 1 75 75 ILE HA H 1 4.8750 . . 1 . . . . 78 ILE HA . 15913 1 527 . 1 1 75 75 ILE HD11 H 1 1.2100 . . 1 . . . . 78 ILE HD1# . 15913 1 528 . 1 1 75 75 ILE HD12 H 1 1.2100 . . 1 . . . . 78 ILE HD1# . 15913 1 529 . 1 1 75 75 ILE HD13 H 1 1.2100 . . 1 . . . . 78 ILE HD1# . 15913 1 530 . 1 1 75 75 ILE HG21 H 1 1.2100 . . 1 . . . . 78 ILE HG2# . 15913 1 531 . 1 1 75 75 ILE HG22 H 1 1.2100 . . 1 . . . . 78 ILE HG2# . 15913 1 532 . 1 1 75 75 ILE HG23 H 1 1.2100 . . 1 . . . . 78 ILE HG2# . 15913 1 533 . 1 1 75 75 ILE C C 13 176.8300 . . 1 . . . . 78 ILE C . 15913 1 534 . 1 1 75 75 ILE CA C 13 60.7400 . . 1 . . . . 78 ILE CA . 15913 1 535 . 1 1 75 75 ILE CB C 13 38.7800 . . 1 . . . . 78 ILE CB . 15913 1 536 . 1 1 75 75 ILE CD1 C 13 14.5500 . . 1 . . . . 78 ILE CD1 . 15913 1 537 . 1 1 75 75 ILE CG1 C 13 32.5900 . . 1 . . . . 78 ILE CG1 . 15913 1 538 . 1 1 75 75 ILE CG2 C 13 18.7200 . . 1 . . . . 78 ILE CG2 . 15913 1 539 . 1 1 75 75 ILE N N 15 120.6600 . . 1 . . . . 78 ILE N . 15913 1 540 . 1 1 76 76 THR H H 1 8.5900 . . 1 . . . . 79 THR HN . 15913 1 541 . 1 1 76 76 THR HA H 1 4.2300 . . 1 . . . . 79 THR HA . 15913 1 542 . 1 1 76 76 THR HB H 1 4.2200 . . 1 . . . . 79 THR HB . 15913 1 543 . 1 1 76 76 THR HG21 H 1 1.1700 . . 1 . . . . 79 THR HG2# . 15913 1 544 . 1 1 76 76 THR HG22 H 1 1.1700 . . 1 . . . . 79 THR HG2# . 15913 1 545 . 1 1 76 76 THR HG23 H 1 1.1700 . . 1 . . . . 79 THR HG2# . 15913 1 546 . 1 1 76 76 THR C C 13 175.2400 . . 1 . . . . 79 THR C . 15913 1 547 . 1 1 76 76 THR CA C 13 63.5300 . . 1 . . . . 79 THR CA . 15913 1 548 . 1 1 76 76 THR CB C 13 67.8000 . . 1 . . . . 79 THR CB . 15913 1 549 . 1 1 76 76 THR CG2 C 13 23.9000 . . 1 . . . . 79 THR CG2 . 15913 1 550 . 1 1 76 76 THR N N 15 121.3000 . . 1 . . . . 79 THR N . 15913 1 551 . 1 1 77 77 GLY H H 1 7.6200 . . 1 . . . . 80 GLY HN . 15913 1 552 . 1 1 77 77 GLY HA2 H 1 4.4200 . . 2 . . . . 80 GLY HA1 . 15913 1 553 . 1 1 77 77 GLY HA3 H 1 4.1600 . . 2 . . . . 80 GLY HA2 . 15913 1 554 . 1 1 77 77 GLY C C 13 170.1000 . . 1 . . . . 80 GLY C . 15913 1 555 . 1 1 77 77 GLY CA C 13 45.9900 . . 1 . . . . 80 GLY CA . 15913 1 556 . 1 1 77 77 GLY N N 15 107.8900 . . 1 . . . . 80 GLY N . 15913 1 557 . 1 1 78 78 MET H H 1 7.6000 . . 1 . . . . 81 MET HN . 15913 1 558 . 1 1 78 78 MET HA H 1 5.3200 . . 1 . . . . 81 MET HA . 15913 1 559 . 1 1 78 78 MET HB2 H 1 2.6400 . . 2 . . . . 81 MET HB1 . 15913 1 560 . 1 1 78 78 MET HB3 H 1 2.2300 . . 2 . . . . 81 MET HB2 . 15913 1 561 . 1 1 78 78 MET HG2 H 1 2.5800 . . 2 . . . . 81 MET HG1 . 15913 1 562 . 1 1 78 78 MET HG3 H 1 2.6860 . . 2 . . . . 81 MET HG2 . 15913 1 563 . 1 1 78 78 MET C C 13 174.0800 . . 1 . . . . 81 MET C . 15913 1 564 . 1 1 78 78 MET CA C 13 55.9600 . . 1 . . . . 81 MET CA . 15913 1 565 . 1 1 78 78 MET CB C 13 40.6500 . . 1 . . . . 81 MET CB . 15913 1 566 . 1 1 78 78 MET CG C 13 33.2800 . . 1 . . . . 81 MET CG . 15913 1 567 . 1 1 78 78 MET N N 15 118.6700 . . 1 . . . . 81 MET N . 15913 1 568 . 1 1 79 79 SER H H 1 8.6200 . . 1 . . . . 82 SER HN . 15913 1 569 . 1 1 79 79 SER HA H 1 5.5400 . . 1 . . . . 82 SER HA . 15913 1 570 . 1 1 79 79 SER HB2 H 1 3.7100 . . 2 . . . . 82 SER HB1 . 15913 1 571 . 1 1 79 79 SER HB3 H 1 3.4600 . . 2 . . . . 82 SER HB2 . 15913 1 572 . 1 1 79 79 SER C C 13 173.4800 . . 1 . . . . 82 SER C . 15913 1 573 . 1 1 79 79 SER CA C 13 57.2100 . . 1 . . . . 82 SER CA . 15913 1 574 . 1 1 79 79 SER CB C 13 66.2000 . . 1 . . . . 82 SER CB . 15913 1 575 . 1 1 79 79 SER N N 15 114.1800 . . 1 . . . . 82 SER N . 15913 1 576 . 1 1 80 80 ILE H H 1 8.7800 . . 1 . . . . 83 ILE HN . 15913 1 577 . 1 1 80 80 ILE HA H 1 4.3900 . . 1 . . . . 83 ILE HA . 15913 1 578 . 1 1 80 80 ILE HB H 1 1.2500 . . 1 . . . . 83 ILE HB . 15913 1 579 . 1 1 80 80 ILE HD11 H 1 -0.6800 . . 1 . . . . 83 ILE HD1# . 15913 1 580 . 1 1 80 80 ILE HD12 H 1 -0.6800 . . 1 . . . . 83 ILE HD1# . 15913 1 581 . 1 1 80 80 ILE HD13 H 1 -0.6800 . . 1 . . . . 83 ILE HD1# . 15913 1 582 . 1 1 80 80 ILE HG12 H 1 0.4600 . . 2 . . . . 83 ILE HG11 . 15913 1 583 . 1 1 80 80 ILE HG21 H 1 0.5901 . . 1 . . . . 83 ILE HG2# . 15913 1 584 . 1 1 80 80 ILE HG22 H 1 0.5901 . . 1 . . . . 83 ILE HG2# . 15913 1 585 . 1 1 80 80 ILE HG23 H 1 0.5901 . . 1 . . . . 83 ILE HG2# . 15913 1 586 . 1 1 80 80 ILE C C 13 174.6000 . . 1 . . . . 83 ILE C . 15913 1 587 . 1 1 80 80 ILE CA C 13 63.5300 . . 1 . . . . 83 ILE CA . 15913 1 588 . 1 1 80 80 ILE CB C 13 41.1100 . . 1 . . . . 83 ILE CB . 15913 1 589 . 1 1 80 80 ILE CD1 C 13 11.7000 . . 1 . . . . 83 ILE CD1 . 15913 1 590 . 1 1 80 80 ILE CG1 C 13 28.4200 . . 1 . . . . 83 ILE CG1 . 15913 1 591 . 1 1 80 80 ILE CG2 C 13 17.5000 . . 1 . . . . 83 ILE CG2 . 15913 1 592 . 1 1 80 80 ILE N N 15 123.9100 . . 1 . . . . 83 ILE N . 15913 1 593 . 1 1 81 81 GLU H H 1 9.3400 . . 1 . . . . 84 GLU HN . 15913 1 594 . 1 1 81 81 GLU HA H 1 3.9500 . . 1 . . . . 84 GLU HA . 15913 1 595 . 1 1 81 81 GLU HB2 H 1 2.6200 . . 2 . . . . 84 GLU HB1 . 15913 1 596 . 1 1 81 81 GLU HB3 H 1 1.9420 . . 2 . . . . 84 GLU HB2 . 15913 1 597 . 1 1 81 81 GLU HG2 H 1 2.5100 . . 2 . . . . 84 GLU HG1 . 15913 1 598 . 1 1 81 81 GLU HG3 H 1 2.3600 . . 2 . . . . 84 GLU HG2 . 15913 1 599 . 1 1 81 81 GLU C C 13 174.6200 . . 1 . . . . 84 GLU C . 15913 1 600 . 1 1 81 81 GLU CA C 13 57.2100 . . 1 . . . . 84 GLU CA . 15913 1 601 . 1 1 81 81 GLU CB C 13 29.5400 . . 1 . . . . 84 GLU CB . 15913 1 602 . 1 1 81 81 GLU CG C 13 38.9900 . . 1 . . . . 84 GLU CG . 15913 1 603 . 1 1 81 81 GLU N N 15 129.5800 . . 1 . . . . 84 GLU N . 15913 1 604 . 1 1 82 82 GLY H H 1 9.0000 . . 1 . . . . 85 GLY HN . 15913 1 605 . 1 1 82 82 GLY HA2 H 1 3.9100 . . 2 . . . . 85 GLY HA1 . 15913 1 606 . 1 1 82 82 GLY HA3 H 1 3.5600 . . 2 . . . . 85 GLY HA2 . 15913 1 607 . 1 1 82 82 GLY C C 13 173.3900 . . 1 . . . . 85 GLY C . 15913 1 608 . 1 1 82 82 GLY CA C 13 44.9100 . . 1 . . . . 85 GLY CA . 15913 1 609 . 1 1 82 82 GLY N N 15 104.3600 . . 1 . . . . 85 GLY N . 15913 1 610 . 1 1 83 83 HIS H H 1 8.3600 . . 1 . . . . 86 HIS HN . 15913 1 611 . 1 1 83 83 HIS HA H 1 5.0650 . . 1 . . . . 86 HIS HA . 15913 1 612 . 1 1 83 83 HIS HB2 H 1 3.9000 . . 1 . . . . 86 HIS HB1 . 15913 1 613 . 1 1 83 83 HIS HB3 H 1 3.5200 . . 1 . . . . 86 HIS HB2 . 15913 1 614 . 1 1 83 83 HIS HD2 H 1 7.5050 . . 1 . . . . 86 HIS HD2 . 15913 1 615 . 1 1 83 83 HIS C C 13 173.3800 . . 1 . . . . 86 HIS C . 15913 1 616 . 1 1 83 83 HIS CA C 13 53.6700 . . 1 . . . . 86 HIS CA . 15913 1 617 . 1 1 83 83 HIS CB C 13 28.9300 . . 1 . . . . 86 HIS CB . 15913 1 618 . 1 1 83 83 HIS CD2 C 13 121.5700 . . 1 . . . . 86 HIS CD2 . 15913 1 619 . 1 1 83 83 HIS N N 15 120.0000 . . 1 . . . . 86 HIS N . 15913 1 620 . 1 1 84 84 LYS H H 1 8.9300 . . 1 . . . . 87 LYS HN . 15913 1 621 . 1 1 84 84 LYS HA H 1 4.4000 . . 1 . . . . 87 LYS HA . 15913 1 622 . 1 1 84 84 LYS HB2 H 1 1.9600 . . 2 . . . . 87 LYS HB1 . 15913 1 623 . 1 1 84 84 LYS HB3 H 1 1.8900 . . 2 . . . . 87 LYS HB2 . 15913 1 624 . 1 1 84 84 LYS HD2 H 1 1.7300 . . 2 . . . . 87 LYS HD2 . 15913 1 625 . 1 1 84 84 LYS HE2 H 1 3.0400 . . 2 . . . . 87 LYS HE2 . 15913 1 626 . 1 1 84 84 LYS HG2 H 1 1.7500 . . 2 . . . . 87 LYS HG1 . 15913 1 627 . 1 1 84 84 LYS HG3 H 1 1.6500 . . 2 . . . . 87 LYS HG2 . 15913 1 628 . 1 1 84 84 LYS C C 13 175.5400 . . 1 . . . . 87 LYS C . 15913 1 629 . 1 1 84 84 LYS CA C 13 56.8500 . . 1 . . . . 87 LYS CA . 15913 1 630 . 1 1 84 84 LYS CB C 13 33.3000 . . 1 . . . . 87 LYS CB . 15913 1 631 . 1 1 84 84 LYS CD C 13 29.0400 . . 1 . . . . 87 LYS CD . 15913 1 632 . 1 1 84 84 LYS CE C 13 42.4600 . . 1 . . . . 87 LYS CE . 15913 1 633 . 1 1 84 84 LYS CG C 13 25.2200 . . 1 . . . . 87 LYS CG . 15913 1 634 . 1 1 84 84 LYS N N 15 125.8800 . . 1 . . . . 87 LYS N . 15913 1 635 . 1 1 85 85 GLU H H 1 8.0000 . . 1 . . . . 88 GLU HN . 15913 1 636 . 1 1 85 85 GLU HA H 1 4.5800 . . 1 . . . . 88 GLU HA . 15913 1 637 . 1 1 85 85 GLU HB2 H 1 3.1300 . . 2 . . . . 88 GLU HB1 . 15913 1 638 . 1 1 85 85 GLU HB3 H 1 3.0500 . . 2 . . . . 88 GLU HB2 . 15913 1 639 . 1 1 85 85 GLU HG2 H 1 2.2200 . . 2 . . . . 88 GLU HG1 . 15913 1 640 . 1 1 85 85 GLU HG3 H 1 2.5800 . . 2 . . . . 88 GLU HG2 . 15913 1 641 . 1 1 85 85 GLU C C 13 172.8800 . . 1 . . . . 88 GLU C . 15913 1 642 . 1 1 85 85 GLU CA C 13 56.2200 . . 1 . . . . 88 GLU CA . 15913 1 643 . 1 1 85 85 GLU CB C 13 30.0500 . . 1 . . . . 88 GLU CB . 15913 1 644 . 1 1 85 85 GLU CG C 13 34.6000 . . 1 . . . . 88 GLU CG . 15913 1 645 . 1 1 85 85 GLU N N 15 119.6000 . . 1 . . . . 88 GLU N . 15913 1 646 . 1 1 86 86 ASN H H 1 7.3800 . . 1 . . . . 89 ASN HN . 15913 1 647 . 1 1 86 86 ASN HA H 1 4.9430 . . 1 . . . . 89 ASN HA . 15913 1 648 . 1 1 86 86 ASN HB2 H 1 2.8100 . . 2 . . . . 89 ASN HB1 . 15913 1 649 . 1 1 86 86 ASN HB3 H 1 2.6900 . . 2 . . . . 89 ASN HB2 . 15913 1 650 . 1 1 86 86 ASN HD21 H 1 6.6500 . . 2 . . . . 89 ASN HD21 . 15913 1 651 . 1 1 86 86 ASN HD22 H 1 7.5900 . . 2 . . . . 89 ASN HD22 . 15913 1 652 . 1 1 86 86 ASN C C 13 173.8700 . . 1 . . . . 89 ASN C . 15913 1 653 . 1 1 86 86 ASN CA C 13 51.2700 . . 1 . . . . 89 ASN CA . 15913 1 654 . 1 1 86 86 ASN CB C 13 38.9100 . . 1 . . . . 89 ASN CB . 15913 1 655 . 1 1 86 86 ASN N N 15 119.8500 . . 1 . . . . 89 ASN N . 15913 1 656 . 1 1 86 86 ASN ND2 N 15 111.8400 . . 1 . . . . 89 ASN ND2 . 15913 1 657 . 1 1 87 87 ILE H H 1 8.8000 . . 1 . . . . 90 ILE HN . 15913 1 658 . 1 1 87 87 ILE HA H 1 4.1400 . . 1 . . . . 90 ILE HA . 15913 1 659 . 1 1 87 87 ILE HB H 1 1.6700 . . 1 . . . . 90 ILE HB . 15913 1 660 . 1 1 87 87 ILE HD11 H 1 0.7600 . . 1 . . . . 90 ILE HD1# . 15913 1 661 . 1 1 87 87 ILE HD12 H 1 0.7600 . . 1 . . . . 90 ILE HD1# . 15913 1 662 . 1 1 87 87 ILE HD13 H 1 0.7600 . . 1 . . . . 90 ILE HD1# . 15913 1 663 . 1 1 87 87 ILE HG21 H 1 0.7100 . . 1 . . . . 90 ILE HG2# . 15913 1 664 . 1 1 87 87 ILE HG22 H 1 0.7100 . . 1 . . . . 90 ILE HG2# . 15913 1 665 . 1 1 87 87 ILE HG23 H 1 0.7100 . . 1 . . . . 90 ILE HG2# . 15913 1 666 . 1 1 87 87 ILE C C 13 175.5400 . . 1 . . . . 90 ILE C . 15913 1 667 . 1 1 87 87 ILE CA C 13 63.5300 . . 1 . . . . 90 ILE CA . 15913 1 668 . 1 1 87 87 ILE CB C 13 37.7600 . . 1 . . . . 90 ILE CB . 15913 1 669 . 1 1 87 87 ILE CD1 C 13 13.1900 . . 1 . . . . 90 ILE CD1 . 15913 1 670 . 1 1 87 87 ILE CG1 C 13 26.9000 . . 1 . . . . 90 ILE CG1 . 15913 1 671 . 1 1 87 87 ILE CG2 C 13 17.7000 . . 1 . . . . 90 ILE CG2 . 15913 1 672 . 1 1 87 87 ILE N N 15 126.8700 . . 1 . . . . 90 ILE N . 15913 1 673 . 1 1 88 88 ILE H H 1 9.0400 . . 1 . . . . 91 ILE HN . 15913 1 674 . 1 1 88 88 ILE HA H 1 4.2500 . . 1 . . . . 91 ILE HA . 15913 1 675 . 1 1 88 88 ILE HB H 1 1.7900 . . 1 . . . . 91 ILE HB . 15913 1 676 . 1 1 88 88 ILE HD11 H 1 0.5600 . . 1 . . . . 91 ILE HD1# . 15913 1 677 . 1 1 88 88 ILE HD12 H 1 0.5600 . . 1 . . . . 91 ILE HD1# . 15913 1 678 . 1 1 88 88 ILE HD13 H 1 0.5600 . . 1 . . . . 91 ILE HD1# . 15913 1 679 . 1 1 88 88 ILE HG12 H 1 1.0700 . . 2 . . . . 91 ILE HG11 . 15913 1 680 . 1 1 88 88 ILE HG13 H 1 1.0500 . . 2 . . . . 91 ILE HG12 . 15913 1 681 . 1 1 88 88 ILE HG21 H 1 0.7140 . . 1 . . . . 91 ILE HG2# . 15913 1 682 . 1 1 88 88 ILE HG22 H 1 0.7140 . . 1 . . . . 91 ILE HG2# . 15913 1 683 . 1 1 88 88 ILE HG23 H 1 0.7140 . . 1 . . . . 91 ILE HG2# . 15913 1 684 . 1 1 88 88 ILE C C 13 175.6400 . . 1 . . . . 91 ILE C . 15913 1 685 . 1 1 88 88 ILE CA C 13 60.9800 . . 1 . . . . 91 ILE CA . 15913 1 686 . 1 1 88 88 ILE CB C 13 38.5400 . . 1 . . . . 91 ILE CB . 15913 1 687 . 1 1 88 88 ILE CD1 C 13 12.0400 . . 1 . . . . 91 ILE CD1 . 15913 1 688 . 1 1 88 88 ILE CG1 C 13 26.5000 . . 1 . . . . 91 ILE CG1 . 15913 1 689 . 1 1 88 88 ILE CG2 C 13 17.5000 . . 1 . . . . 91 ILE CG2 . 15913 1 690 . 1 1 88 88 ILE N N 15 126.6800 . . 1 . . . . 91 ILE N . 15913 1 691 . 1 1 89 89 SER H H 1 7.8500 . . 1 . . . . 92 SER HN . 15913 1 692 . 1 1 89 89 SER HA H 1 4.5000 . . 1 . . . . 92 SER HA . 15913 1 693 . 1 1 89 89 SER HB2 H 1 3.7900 . . 2 . . . . 92 SER HB1 . 15913 1 694 . 1 1 89 89 SER HB3 H 1 3.5900 . . 2 . . . . 92 SER HB2 . 15913 1 695 . 1 1 89 89 SER C C 13 170.8000 . . 1 . . . . 92 SER C . 15913 1 696 . 1 1 89 89 SER CA C 13 57.9900 . . 1 . . . . 92 SER CA . 15913 1 697 . 1 1 89 89 SER CB C 13 64.5900 . . 1 . . . . 92 SER CB . 15913 1 698 . 1 1 89 89 SER N N 15 114.3300 . . 1 . . . . 92 SER N . 15913 1 699 . 1 1 90 90 LYS H H 1 8.4400 . . 1 . . . . 93 LYS HN . 15913 1 700 . 1 1 90 90 LYS HA H 1 4.7000 . . 1 . . . . 93 LYS HA . 15913 1 701 . 1 1 90 90 LYS HB2 H 1 1.7800 . . 1 . . . . 93 LYS HB1 . 15913 1 702 . 1 1 90 90 LYS HB3 H 1 1.6700 . . 1 . . . . 93 LYS HB2 . 15913 1 703 . 1 1 90 90 LYS HD2 H 1 1.2100 . . 2 . . . . 93 LYS HD1 . 15913 1 704 . 1 1 90 90 LYS HD3 H 1 1.1200 . . 2 . . . . 93 LYS HD2 . 15913 1 705 . 1 1 90 90 LYS HE2 H 1 2.8400 . . 2 . . . . 93 LYS HE1 . 15913 1 706 . 1 1 90 90 LYS HE3 H 1 2.7600 . . 2 . . . . 93 LYS HE2 . 15913 1 707 . 1 1 90 90 LYS HG2 H 1 1.3300 . . 2 . . . . 93 LYS HG1 . 15913 1 708 . 1 1 90 90 LYS HG3 H 1 1.2800 . . 2 . . . . 93 LYS HG2 . 15913 1 709 . 1 1 90 90 LYS C C 13 173.5600 . . 1 . . . . 93 LYS C . 15913 1 710 . 1 1 90 90 LYS CA C 13 55.9800 . . 1 . . . . 93 LYS CA . 15913 1 711 . 1 1 90 90 LYS CB C 13 35.4600 . . 1 . . . . 93 LYS CB . 15913 1 712 . 1 1 90 90 LYS CD C 13 29.7700 . . 1 . . . . 93 LYS CD . 15913 1 713 . 1 1 90 90 LYS CE C 13 42.4600 . . 1 . . . . 93 LYS CE . 15913 1 714 . 1 1 90 90 LYS CG C 13 25.0800 . . 1 . . . . 93 LYS CG . 15913 1 715 . 1 1 90 90 LYS N N 15 121.2000 . . 1 . . . . 93 LYS N . 15913 1 716 . 1 1 91 91 ASN H H 1 8.5100 . . 1 . . . . 94 ASN HN . 15913 1 717 . 1 1 91 91 ASN HA H 1 4.9900 . . 1 . . . . 94 ASN HA . 15913 1 718 . 1 1 91 91 ASN HB2 H 1 2.8600 . . 2 . . . . 94 ASN HB1 . 15913 1 719 . 1 1 91 91 ASN HB3 H 1 2.6200 . . 2 . . . . 94 ASN HB2 . 15913 1 720 . 1 1 91 91 ASN HD21 H 1 7.8000 . . 2 . . . . 94 ASN HD21 . 15913 1 721 . 1 1 91 91 ASN HD22 H 1 6.9100 . . 2 . . . . 94 ASN HD22 . 15913 1 722 . 1 1 91 91 ASN C C 13 175.2900 . . 1 . . . . 94 ASN C . 15913 1 723 . 1 1 91 91 ASN CA C 13 51.1500 . . 1 . . . . 94 ASN CA . 15913 1 724 . 1 1 91 91 ASN CB C 13 38.7200 . . 1 . . . . 94 ASN CB . 15913 1 725 . 1 1 91 91 ASN N N 15 121.3800 . . 1 . . . . 94 ASN N . 15913 1 726 . 1 1 91 91 ASN ND2 N 15 112.1900 . . 1 . . . . 94 ASN ND2 . 15913 1 727 . 1 1 92 92 THR H H 1 8.8200 . . 1 . . . . 95 THR HN . 15913 1 728 . 1 1 92 92 THR HA H 1 4.1400 . . 1 . . . . 95 THR HA . 15913 1 729 . 1 1 92 92 THR HB H 1 4.2300 . . 1 . . . . 95 THR HB . 15913 1 730 . 1 1 92 92 THR HG21 H 1 1.2400 . . 1 . . . . 95 THR HG2# . 15913 1 731 . 1 1 92 92 THR HG22 H 1 1.2400 . . 1 . . . . 95 THR HG2# . 15913 1 732 . 1 1 92 92 THR HG23 H 1 1.2400 . . 1 . . . . 95 THR HG2# . 15913 1 733 . 1 1 92 92 THR C C 13 175.9100 . . 1 . . . . 95 THR C . 15913 1 734 . 1 1 92 92 THR CA C 13 64.9600 . . 1 . . . . 95 THR CA . 15913 1 735 . 1 1 92 92 THR CB C 13 68.6000 . . 1 . . . . 95 THR CB . 15913 1 736 . 1 1 92 92 THR CG2 C 13 22.4000 . . 1 . . . . 95 THR CG2 . 15913 1 737 . 1 1 92 92 THR N N 15 119.2300 . . 1 . . . . 95 THR N . 15913 1 738 . 1 1 93 93 ALA H H 1 8.3400 . . 1 . . . . 96 ALA HN . 15913 1 739 . 1 1 93 93 ALA HA H 1 4.1300 . . 1 . . . . 96 ALA HA . 15913 1 740 . 1 1 93 93 ALA HB1 H 1 1.4500 . . 1 . . . . 96 ALA HB# . 15913 1 741 . 1 1 93 93 ALA HB2 H 1 1.4500 . . 1 . . . . 96 ALA HB# . 15913 1 742 . 1 1 93 93 ALA HB3 H 1 1.4500 . . 1 . . . . 96 ALA HB# . 15913 1 743 . 1 1 93 93 ALA C C 13 178.3700 . . 1 . . . . 96 ALA C . 15913 1 744 . 1 1 93 93 ALA CA C 13 54.9300 . . 1 . . . . 96 ALA CA . 15913 1 745 . 1 1 93 93 ALA CB C 13 18.0700 . . 1 . . . . 96 ALA CB . 15913 1 746 . 1 1 93 93 ALA N N 15 125.8100 . . 1 . . . . 96 ALA N . 15913 1 747 . 1 1 94 94 LYS H H 1 7.1200 . . 1 . . . . 97 LYS HN . 15913 1 748 . 1 1 94 94 LYS HA H 1 4.2800 . . 1 . . . . 97 LYS HA . 15913 1 749 . 1 1 94 94 LYS HB2 H 1 1.8300 . . 2 . . . . 97 LYS HB1 . 15913 1 750 . 1 1 94 94 LYS HB3 H 1 1.1100 . . 2 . . . . 97 LYS HB2 . 15913 1 751 . 1 1 94 94 LYS C C 13 174.2500 . . 1 . . . . 97 LYS C . 15913 1 752 . 1 1 94 94 LYS CA C 13 54.9600 . . 1 . . . . 97 LYS CA . 15913 1 753 . 1 1 94 94 LYS CB C 13 33.2900 . . 1 . . . . 97 LYS CB . 15913 1 754 . 1 1 94 94 LYS CD C 13 29.0000 . . 1 . . . . 97 LYS CD . 15913 1 755 . 1 1 94 94 LYS CE C 13 41.9000 . . 1 . . . . 97 LYS CE . 15913 1 756 . 1 1 94 94 LYS CG C 13 25.4000 . . 1 . . . . 97 LYS CG . 15913 1 757 . 1 1 94 94 LYS N N 15 113.8500 . . 1 . . . . 97 LYS N . 15913 1 758 . 1 1 95 95 ASP H H 1 7.9200 . . 1 . . . . 98 ASP HN . 15913 1 759 . 1 1 95 95 ASP HA H 1 4.2900 . . 1 . . . . 98 ASP HA . 15913 1 760 . 1 1 95 95 ASP HB2 H 1 3.1700 . . 2 . . . . 98 ASP HB1 . 15913 1 761 . 1 1 95 95 ASP HB3 H 1 2.2700 . . 2 . . . . 98 ASP HB2 . 15913 1 762 . 1 1 95 95 ASP C C 13 173.0300 . . 1 . . . . 98 ASP C . 15913 1 763 . 1 1 95 95 ASP CA C 13 54.2200 . . 1 . . . . 98 ASP CA . 15913 1 764 . 1 1 95 95 ASP CB C 13 38.5500 . . 1 . . . . 98 ASP CB . 15913 1 765 . 1 1 95 95 ASP N N 15 120.4500 . . 1 . . . . 98 ASP N . 15913 1 766 . 1 1 96 96 GLU H H 1 8.0500 . . 1 . . . . 99 GLU HN . 15913 1 767 . 1 1 96 96 GLU HA H 1 5.6400 . . 1 . . . . 99 GLU HA . 15913 1 768 . 1 1 96 96 GLU HB2 H 1 1.8100 . . 1 . . . . 99 GLU HB1 . 15913 1 769 . 1 1 96 96 GLU HB3 H 1 1.5600 . . 1 . . . . 99 GLU HB2 . 15913 1 770 . 1 1 96 96 GLU HG2 H 1 2.1800 . . 2 . . . . 99 GLU HG1 . 15913 1 771 . 1 1 96 96 GLU HG3 H 1 2.2100 . . 2 . . . . 99 GLU HG2 . 15913 1 772 . 1 1 96 96 GLU C C 13 176.6600 . . 1 . . . . 99 GLU C . 15913 1 773 . 1 1 96 96 GLU CA C 13 53.9800 . . 1 . . . . 99 GLU CA . 15913 1 774 . 1 1 96 96 GLU CB C 13 35.4500 . . 1 . . . . 99 GLU CB . 15913 1 775 . 1 1 96 96 GLU CG C 13 36.5100 . . 1 . . . . 99 GLU CG . 15913 1 776 . 1 1 96 96 GLU N N 15 117.0700 . . 1 . . . . 99 GLU N . 15913 1 777 . 1 1 97 97 ARG H H 1 8.4400 . . 1 . . . . 100 ARG HN . 15913 1 778 . 1 1 97 97 ARG HA H 1 5.1100 . . 1 . . . . 100 ARG HA . 15913 1 779 . 1 1 97 97 ARG HB2 H 1 1.8100 . . 2 . . . . 100 ARG HB2 . 15913 1 780 . 1 1 97 97 ARG C C 13 171.6700 . . 1 . . . . 100 ARG C . 15913 1 781 . 1 1 97 97 ARG CA C 13 55.7000 . . 1 . . . . 100 ARG CA . 15913 1 782 . 1 1 97 97 ARG CB C 13 33.0100 . . 1 . . . . 100 ARG CB . 15913 1 783 . 1 1 97 97 ARG CG C 13 31.1000 . . 1 . . . . 100 ARG CG . 15913 1 784 . 1 1 97 97 ARG N N 15 118.2300 . . 1 . . . . 100 ARG N . 15913 1 785 . 1 1 98 98 THR H H 1 8.8500 . . 1 . . . . 101 THR HN . 15913 1 786 . 1 1 98 98 THR HA H 1 5.3800 . . 1 . . . . 101 THR HA . 15913 1 787 . 1 1 98 98 THR HB H 1 3.7500 . . 1 . . . . 101 THR HB . 15913 1 788 . 1 1 98 98 THR HG21 H 1 1.0100 . . 1 . . . . 101 THR HG2# . 15913 1 789 . 1 1 98 98 THR HG22 H 1 1.0100 . . 1 . . . . 101 THR HG2# . 15913 1 790 . 1 1 98 98 THR HG23 H 1 1.0100 . . 1 . . . . 101 THR HG2# . 15913 1 791 . 1 1 98 98 THR C C 13 172.0200 . . 1 . . . . 101 THR C . 15913 1 792 . 1 1 98 98 THR CA C 13 61.5300 . . 1 . . . . 101 THR CA . 15913 1 793 . 1 1 98 98 THR CB C 13 70.5200 . . 1 . . . . 101 THR CB . 15913 1 794 . 1 1 98 98 THR CG2 C 13 21.3100 . . 1 . . . . 101 THR CG2 . 15913 1 795 . 1 1 98 98 THR N N 15 117.7600 . . 1 . . . . 101 THR N . 15913 1 796 . 1 1 99 99 SER H H 1 9.4800 . . 1 . . . . 102 SER HN . 15913 1 797 . 1 1 99 99 SER HA H 1 5.1400 . . 1 . . . . 102 SER HA . 15913 1 798 . 1 1 99 99 SER HB2 H 1 3.6000 . . 1 . . . . 102 SER HB1 . 15913 1 799 . 1 1 99 99 SER HB3 H 1 3.2800 . . 1 . . . . 102 SER HB2 . 15913 1 800 . 1 1 99 99 SER C C 13 169.9600 . . 1 . . . . 102 SER C . 15913 1 801 . 1 1 99 99 SER CA C 13 57.4800 . . 1 . . . . 102 SER CA . 15913 1 802 . 1 1 99 99 SER CB C 13 67.7000 . . 1 . . . . 102 SER CB . 15913 1 803 . 1 1 99 99 SER N N 15 125.1700 . . 1 . . . . 102 SER N . 15913 1 804 . 1 1 100 100 GLU H H 1 9.2600 . . 1 . . . . 103 GLU HN . 15913 1 805 . 1 1 100 100 GLU HA H 1 5.6400 . . 1 . . . . 103 GLU HA . 15913 1 806 . 1 1 100 100 GLU HB2 H 1 1.9900 . . 2 . . . . 103 GLU HB1 . 15913 1 807 . 1 1 100 100 GLU HB3 H 1 1.7800 . . 2 . . . . 103 GLU HB2 . 15913 1 808 . 1 1 100 100 GLU HG2 H 1 2.1500 . . 2 . . . . 103 GLU HG1 . 15913 1 809 . 1 1 100 100 GLU HG3 H 1 2.0800 . . 2 . . . . 103 GLU HG2 . 15913 1 810 . 1 1 100 100 GLU C C 13 174.2500 . . 1 . . . . 103 GLU C . 15913 1 811 . 1 1 100 100 GLU CA C 13 54.0500 . . 1 . . . . 103 GLU CA . 15913 1 812 . 1 1 100 100 GLU CB C 13 34.9500 . . 1 . . . . 103 GLU CB . 15913 1 813 . 1 1 100 100 GLU CG C 13 39.2900 . . 1 . . . . 103 GLU CG . 15913 1 814 . 1 1 100 100 GLU N N 15 124.2700 . . 1 . . . . 103 GLU N . 15913 1 815 . 1 1 101 101 PHE H H 1 9.0800 . . 1 . . . . 104 PHE HN . 15913 1 816 . 1 1 101 101 PHE HA H 1 4.9500 . . 1 . . . . 104 PHE HA . 15913 1 817 . 1 1 101 101 PHE HB2 H 1 3.0300 . . 1 . . . . 104 PHE HB1 . 15913 1 818 . 1 1 101 101 PHE HB3 H 1 2.5800 . . 1 . . . . 104 PHE HB2 . 15913 1 819 . 1 1 101 101 PHE HD1 H 1 7.2400 . . 3 . . . . 104 PHE HD1 . 15913 1 820 . 1 1 101 101 PHE HE1 H 1 7.0800 . . 3 . . . . 104 PHE HE1 . 15913 1 821 . 1 1 101 101 PHE C C 13 173.3800 . . 1 . . . . 104 PHE C . 15913 1 822 . 1 1 101 101 PHE CA C 13 56.1200 . . 1 . . . . 104 PHE CA . 15913 1 823 . 1 1 101 101 PHE CB C 13 42.5100 . . 1 . . . . 104 PHE CB . 15913 1 824 . 1 1 101 101 PHE CD1 C 13 133.5000 . . 3 . . . . 104 PHE CD1 . 15913 1 825 . 1 1 101 101 PHE CE1 C 13 130.5300 . . 3 . . . . 104 PHE CE1 . 15913 1 826 . 1 1 101 101 PHE N N 15 122.9800 . . 1 . . . . 104 PHE N . 15913 1 827 . 1 1 102 102 GLU H H 1 8.2700 . . 1 . . . . 105 GLU HN . 15913 1 828 . 1 1 102 102 GLU HA H 1 4.2900 . . 1 . . . . 105 GLU HA . 15913 1 829 . 1 1 102 102 GLU HB2 H 1 1.5900 . . 2 . . . . 105 GLU HB1 . 15913 1 830 . 1 1 102 102 GLU HB3 H 1 1.1200 . . 2 . . . . 105 GLU HB2 . 15913 1 831 . 1 1 102 102 GLU C C 13 174.2500 . . 1 . . . . 105 GLU C . 15913 1 832 . 1 1 102 102 GLU CA C 13 55.7400 . . 1 . . . . 105 GLU CA . 15913 1 833 . 1 1 102 102 GLU CB C 13 29.5400 . . 1 . . . . 105 GLU CB . 15913 1 834 . 1 1 102 102 GLU CG C 13 35.8100 . . 1 . . . . 105 GLU CG . 15913 1 835 . 1 1 102 102 GLU N N 15 126.6600 . . 1 . . . . 105 GLU N . 15913 1 836 . 1 1 103 103 VAL H H 1 8.2100 . . 1 . . . . 106 VAL HN . 15913 1 837 . 1 1 103 103 VAL HA H 1 5.0400 . . 1 . . . . 106 VAL HA . 15913 1 838 . 1 1 103 103 VAL HB H 1 2.0400 . . 1 . . . . 106 VAL HB . 15913 1 839 . 1 1 103 103 VAL HG11 H 1 0.3400 . . 2 . . . . 106 VAL HG1# . 15913 1 840 . 1 1 103 103 VAL HG12 H 1 0.3400 . . 2 . . . . 106 VAL HG1# . 15913 1 841 . 1 1 103 103 VAL HG13 H 1 0.3400 . . 2 . . . . 106 VAL HG1# . 15913 1 842 . 1 1 103 103 VAL HG21 H 1 0.6700 . . 2 . . . . 106 VAL HG2# . 15913 1 843 . 1 1 103 103 VAL HG22 H 1 0.6700 . . 2 . . . . 106 VAL HG2# . 15913 1 844 . 1 1 103 103 VAL HG23 H 1 0.6700 . . 2 . . . . 106 VAL HG2# . 15913 1 845 . 1 1 103 103 VAL C C 13 175.6400 . . 1 . . . . 106 VAL C . 15913 1 846 . 1 1 103 103 VAL CA C 13 59.1600 . . 1 . . . . 106 VAL CA . 15913 1 847 . 1 1 103 103 VAL CB C 13 37.1100 . . 1 . . . . 106 VAL CB . 15913 1 848 . 1 1 103 103 VAL CG1 C 13 19.0700 . . 2 . . . . 106 VAL CG1 . 15913 1 849 . 1 1 103 103 VAL CG2 C 13 23.1000 . . 2 . . . . 106 VAL CG2 . 15913 1 850 . 1 1 103 103 VAL N N 15 117.5200 . . 1 . . . . 106 VAL N . 15913 1 851 . 1 1 104 104 SER H H 1 9.9400 . . 1 . . . . 107 SER HN . 15913 1 852 . 1 1 104 104 SER HA H 1 4.0800 . . 1 . . . . 107 SER HA . 15913 1 853 . 1 1 104 104 SER HB2 H 1 3.9500 . . 2 . . . . 107 SER HB1 . 15913 1 854 . 1 1 104 104 SER HB3 H 1 3.8300 . . 2 . . . . 107 SER HB2 . 15913 1 855 . 1 1 104 104 SER CA C 13 59.4900 . . 1 . . . . 107 SER CA . 15913 1 856 . 1 1 104 104 SER CB C 13 62.9800 . . 1 . . . . 107 SER CB . 15913 1 857 . 1 1 104 104 SER N N 15 115.9300 . . 1 . . . . 107 SER N . 15913 1 858 . 1 1 105 105 LYS H H 1 7.3000 . . 1 . . . . 108 LYS HN . 15913 1 859 . 1 1 105 105 LYS HA H 1 4.2300 . . 1 . . . . 108 LYS HA . 15913 1 860 . 1 1 105 105 LYS HB2 H 1 1.9500 . . 2 . . . . 108 LYS HB1 . 15913 1 861 . 1 1 105 105 LYS HB3 H 1 1.6300 . . 2 . . . . 108 LYS HB2 . 15913 1 862 . 1 1 105 105 LYS HD2 H 1 1.5700 . . 2 . . . . 108 LYS HD2 . 15913 1 863 . 1 1 105 105 LYS HE2 H 1 2.8400 . . 2 . . . . 108 LYS HE1 . 15913 1 864 . 1 1 105 105 LYS HE3 H 1 2.7700 . . 2 . . . . 108 LYS HE2 . 15913 1 865 . 1 1 105 105 LYS HG2 H 1 1.2300 . . 2 . . . . 108 LYS HG1 . 15913 1 866 . 1 1 105 105 LYS HG3 H 1 0.9200 . . 2 . . . . 108 LYS HG2 . 15913 1 867 . 1 1 105 105 LYS C C 13 170.9700 . . 1 . . . . 108 LYS C . 15913 1 868 . 1 1 105 105 LYS CA C 13 54.9600 . . 1 . . . . 108 LYS CA . 15913 1 869 . 1 1 105 105 LYS CB C 13 33.8700 . . 1 . . . . 108 LYS CB . 15913 1 870 . 1 1 105 105 LYS CD C 13 29.4600 . . 1 . . . . 108 LYS CD . 15913 1 871 . 1 1 105 105 LYS CE C 13 42.5500 . . 1 . . . . 108 LYS CE . 15913 1 872 . 1 1 105 105 LYS CG C 13 22.3300 . . 1 . . . . 108 LYS CG . 15913 1 873 . 1 1 105 105 LYS N N 15 116.5300 . . 1 . . . . 108 LYS N . 15913 1 874 . 1 1 106 106 LEU H H 1 8.0700 . . 1 . . . . 109 LEU HN . 15913 1 875 . 1 1 106 106 LEU HA H 1 4.2200 . . 1 . . . . 109 LEU HA . 15913 1 876 . 1 1 106 106 LEU HB2 H 1 1.3200 . . 1 . . . . 109 LEU HB1 . 15913 1 877 . 1 1 106 106 LEU HB3 H 1 1.1200 . . 1 . . . . 109 LEU HB2 . 15913 1 878 . 1 1 106 106 LEU HD11 H 1 0.1000 . . 2 . . . . 109 LEU HD1# . 15913 1 879 . 1 1 106 106 LEU HD12 H 1 0.1000 . . 2 . . . . 109 LEU HD1# . 15913 1 880 . 1 1 106 106 LEU HD13 H 1 0.1000 . . 2 . . . . 109 LEU HD1# . 15913 1 881 . 1 1 106 106 LEU HD21 H 1 0.2800 . . 2 . . . . 109 LEU HD2# . 15913 1 882 . 1 1 106 106 LEU HD22 H 1 0.2800 . . 2 . . . . 109 LEU HD2# . 15913 1 883 . 1 1 106 106 LEU HD23 H 1 0.2800 . . 2 . . . . 109 LEU HD2# . 15913 1 884 . 1 1 106 106 LEU HG H 1 1.1800 . . 1 . . . . 109 LEU HG . 15913 1 885 . 1 1 106 106 LEU C C 13 173.2100 . . 1 . . . . 109 LEU C . 15913 1 886 . 1 1 106 106 LEU CA C 13 52.7200 . . 1 . . . . 109 LEU CA . 15913 1 887 . 1 1 106 106 LEU CB C 13 42.5100 . . 1 . . . . 109 LEU CB . 15913 1 888 . 1 1 106 106 LEU CD1 C 13 26.2000 . . 2 . . . . 109 LEU CD1 . 15913 1 889 . 1 1 106 106 LEU CD2 C 13 23.0300 . . 2 . . . . 109 LEU CD2 . 15913 1 890 . 1 1 106 106 LEU CG C 13 25.9000 . . 1 . . . . 109 LEU CG . 15913 1 891 . 1 1 106 106 LEU N N 15 112.6800 . . 1 . . . . 109 LEU N . 15913 1 892 . 1 1 107 107 ASN H H 1 6.9500 . . 1 . . . . 110 ASN HN . 15913 1 893 . 1 1 107 107 ASN HA H 1 4.7600 . . 1 . . . . 110 ASN HA . 15913 1 894 . 1 1 107 107 ASN HB2 H 1 2.4000 . . 2 . . . . 110 ASN HB1 . 15913 1 895 . 1 1 107 107 ASN HB3 H 1 2.1900 . . 2 . . . . 110 ASN HB2 . 15913 1 896 . 1 1 107 107 ASN HD21 H 1 7.0500 . . 2 . . . . 110 ASN HD21 . 15913 1 897 . 1 1 107 107 ASN HD22 H 1 8.2000 . . 2 . . . . 110 ASN HD22 . 15913 1 898 . 1 1 107 107 ASN C C 13 172.6900 . . 1 . . . . 110 ASN C . 15913 1 899 . 1 1 107 107 ASN CA C 13 52.4500 . . 1 . . . . 110 ASN CA . 15913 1 900 . 1 1 107 107 ASN CB C 13 41.5400 . . 1 . . . . 110 ASN CB . 15913 1 901 . 1 1 107 107 ASN N N 15 116.1700 . . 1 . . . . 110 ASN N . 15913 1 902 . 1 1 107 107 ASN ND2 N 15 114.3700 . . 1 . . . . 110 ASN ND2 . 15913 1 903 . 1 1 108 108 GLY H H 1 8.6600 . . 1 . . . . 111 GLY HN . 15913 1 904 . 1 1 108 108 GLY HA2 H 1 4.4200 . . 2 . . . . 111 GLY HA1 . 15913 1 905 . 1 1 108 108 GLY HA3 H 1 3.7500 . . 2 . . . . 111 GLY HA2 . 15913 1 906 . 1 1 108 108 GLY C C 13 170.8000 . . 1 . . . . 111 GLY C . 15913 1 907 . 1 1 108 108 GLY CA C 13 43.6400 . . 1 . . . . 111 GLY CA . 15913 1 908 . 1 1 108 108 GLY N N 15 112.4700 . . 1 . . . . 111 GLY N . 15913 1 909 . 1 1 109 109 LYS H H 1 8.3000 . . 1 . . . . 112 LYS HN . 15913 1 910 . 1 1 109 109 LYS HA H 1 5.3800 . . 1 . . . . 112 LYS HA . 15913 1 911 . 1 1 109 109 LYS HB2 H 1 1.6200 . . 2 . . . . 112 LYS HB1 . 15913 1 912 . 1 1 109 109 LYS HB3 H 1 1.5400 . . 2 . . . . 112 LYS HB2 . 15913 1 913 . 1 1 109 109 LYS HE2 H 1 2.8500 . . 2 . . . . 112 LYS HE1 . 15913 1 914 . 1 1 109 109 LYS HE3 H 1 2.7600 . . 2 . . . . 112 LYS HE2 . 15913 1 915 . 1 1 109 109 LYS HG2 H 1 1.0200 . . 2 . . . . 112 LYS HG2 . 15913 1 916 . 1 1 109 109 LYS C C 13 175.6400 . . 1 . . . . 112 LYS C . 15913 1 917 . 1 1 109 109 LYS CA C 13 55.4200 . . 1 . . . . 112 LYS CA . 15913 1 918 . 1 1 109 109 LYS CB C 13 33.8400 . . 1 . . . . 112 LYS CB . 15913 1 919 . 1 1 109 109 LYS CD C 13 29.7700 . . 1 . . . . 112 LYS CD . 15913 1 920 . 1 1 109 109 LYS CE C 13 42.4700 . . 1 . . . . 112 LYS CE . 15913 1 921 . 1 1 109 109 LYS CG C 13 26.2000 . . 1 . . . . 112 LYS CG . 15913 1 922 . 1 1 109 109 LYS N N 15 119.3800 . . 1 . . . . 112 LYS N . 15913 1 923 . 1 1 110 110 ILE H H 1 9.0900 . . 1 . . . . 113 ILE HN . 15913 1 924 . 1 1 110 110 ILE HA H 1 4.3400 . . 1 . . . . 113 ILE HA . 15913 1 925 . 1 1 110 110 ILE HB H 1 1.5300 . . 1 . . . . 113 ILE HB . 15913 1 926 . 1 1 110 110 ILE HD11 H 1 0.6900 . . 1 . . . . 113 ILE HD1# . 15913 1 927 . 1 1 110 110 ILE HD12 H 1 0.6900 . . 1 . . . . 113 ILE HD1# . 15913 1 928 . 1 1 110 110 ILE HD13 H 1 0.6900 . . 1 . . . . 113 ILE HD1# . 15913 1 929 . 1 1 110 110 ILE HG12 H 1 1.2500 . . 2 . . . . 113 ILE HG11 . 15913 1 930 . 1 1 110 110 ILE HG13 H 1 0.8500 . . 2 . . . . 113 ILE HG12 . 15913 1 931 . 1 1 110 110 ILE HG21 H 1 0.9300 . . 1 . . . . 113 ILE HG2# . 15913 1 932 . 1 1 110 110 ILE HG22 H 1 0.9300 . . 1 . . . . 113 ILE HG2# . 15913 1 933 . 1 1 110 110 ILE HG23 H 1 0.9300 . . 1 . . . . 113 ILE HG2# . 15913 1 934 . 1 1 110 110 ILE C C 13 173.2100 . . 1 . . . . 113 ILE C . 15913 1 935 . 1 1 110 110 ILE CA C 13 60.4700 . . 1 . . . . 113 ILE CA . 15913 1 936 . 1 1 110 110 ILE CB C 13 42.0000 . . 1 . . . . 113 ILE CB . 15913 1 937 . 1 1 110 110 ILE CD1 C 13 13.7300 . . 1 . . . . 113 ILE CD1 . 15913 1 938 . 1 1 110 110 ILE CG1 C 13 26.4900 . . 1 . . . . 113 ILE CG1 . 15913 1 939 . 1 1 110 110 ILE CG2 C 13 18.9200 . . 1 . . . . 113 ILE CG2 . 15913 1 940 . 1 1 110 110 ILE N N 15 124.0600 . . 1 . . . . 113 ILE N . 15913 1 941 . 1 1 111 111 ASP H H 1 8.9000 . . 1 . . . . 114 ASP HN . 15913 1 942 . 1 1 111 111 ASP HA H 1 5.5400 . . 1 . . . . 114 ASP HA . 15913 1 943 . 1 1 111 111 ASP HB2 H 1 3.1300 . . 1 . . . . 114 ASP HB1 . 15913 1 944 . 1 1 111 111 ASP HB3 H 1 2.7500 . . 1 . . . . 114 ASP HB2 . 15913 1 945 . 1 1 111 111 ASP C C 13 174.9400 . . 1 . . . . 114 ASP C . 15913 1 946 . 1 1 111 111 ASP CA C 13 55.2000 . . 1 . . . . 114 ASP CA . 15913 1 947 . 1 1 111 111 ASP CB C 13 42.9400 . . 1 . . . . 114 ASP CB . 15913 1 948 . 1 1 111 111 ASP N N 15 127.2200 . . 1 . . . . 114 ASP N . 15913 1 949 . 1 1 112 112 GLY H H 1 9.1600 . . 1 . . . . 115 GLY HN . 15913 1 950 . 1 1 112 112 GLY HA2 H 1 5.2200 . . 2 . . . . 115 GLY HA1 . 15913 1 951 . 1 1 112 112 GLY HA3 H 1 4.2300 . . 2 . . . . 115 GLY HA2 . 15913 1 952 . 1 1 112 112 GLY C C 13 171.8300 . . 1 . . . . 115 GLY C . 15913 1 953 . 1 1 112 112 GLY CA C 13 45.9000 . . 1 . . . . 115 GLY CA . 15913 1 954 . 1 1 112 112 GLY N N 15 106.0900 . . 1 . . . . 115 GLY N . 15913 1 955 . 1 1 113 113 LYS H H 1 8.5800 . . 1 . . . . 116 LYS HN . 15913 1 956 . 1 1 113 113 LYS HA H 1 5.5400 . . 1 . . . . 116 LYS HA . 15913 1 957 . 1 1 113 113 LYS HB2 H 1 1.8600 . . 1 . . . . 116 LYS HB1 . 15913 1 958 . 1 1 113 113 LYS HB3 H 1 1.6500 . . 1 . . . . 116 LYS HB2 . 15913 1 959 . 1 1 113 113 LYS C C 13 175.4700 . . 1 . . . . 116 LYS C . 15913 1 960 . 1 1 113 113 LYS CA C 13 55.2300 . . 1 . . . . 116 LYS CA . 15913 1 961 . 1 1 113 113 LYS CB C 13 37.6600 . . 1 . . . . 116 LYS CB . 15913 1 962 . 1 1 113 113 LYS CE C 13 42.7000 . . 1 . . . . 116 LYS CE . 15913 1 963 . 1 1 113 113 LYS N N 15 119.1200 . . 1 . . . . 116 LYS N . 15913 1 964 . 1 1 114 114 ILE H H 1 9.3500 . . 1 . . . . 117 ILE HN . 15913 1 965 . 1 1 114 114 ILE HA H 1 5.2000 . . 1 . . . . 117 ILE HA . 15913 1 966 . 1 1 114 114 ILE HB H 1 2.0000 . . 1 . . . . 117 ILE HB . 15913 1 967 . 1 1 114 114 ILE HD11 H 1 1.7400 . . 1 . . . . 117 ILE HD1# . 15913 1 968 . 1 1 114 114 ILE HD12 H 1 1.7400 . . 1 . . . . 117 ILE HD1# . 15913 1 969 . 1 1 114 114 ILE HD13 H 1 1.7400 . . 1 . . . . 117 ILE HD1# . 15913 1 970 . 1 1 114 114 ILE HG12 H 1 1.4600 . . 2 . . . . 117 ILE HG11 . 15913 1 971 . 1 1 114 114 ILE HG13 H 1 2.2300 . . 2 . . . . 117 ILE HG12 . 15913 1 972 . 1 1 114 114 ILE HG21 H 1 1.5300 . . 1 . . . . 117 ILE HG2# . 15913 1 973 . 1 1 114 114 ILE HG22 H 1 1.5300 . . 1 . . . . 117 ILE HG2# . 15913 1 974 . 1 1 114 114 ILE HG23 H 1 1.5300 . . 1 . . . . 117 ILE HG2# . 15913 1 975 . 1 1 114 114 ILE C C 13 169.9300 . . 1 . . . . 117 ILE C . 15913 1 976 . 1 1 114 114 ILE CA C 13 60.5200 . . 1 . . . . 117 ILE CA . 15913 1 977 . 1 1 114 114 ILE CB C 13 44.1200 . . 1 . . . . 117 ILE CB . 15913 1 978 . 1 1 114 114 ILE CD1 C 13 16.4700 . . 1 . . . . 117 ILE CD1 . 15913 1 979 . 1 1 114 114 ILE CG1 C 13 29.4100 . . 1 . . . . 117 ILE CG1 . 15913 1 980 . 1 1 114 114 ILE CG2 C 13 17.6000 . . 1 . . . . 117 ILE CG2 . 15913 1 981 . 1 1 114 114 ILE N N 15 121.8500 . . 1 . . . . 117 ILE N . 15913 1 982 . 1 1 115 115 ASP H H 1 8.6200 . . 1 . . . . 118 ASP HN . 15913 1 983 . 1 1 115 115 ASP HA H 1 5.1100 . . 1 . . . . 118 ASP HA . 15913 1 984 . 1 1 115 115 ASP HB2 H 1 2.5000 . . 2 . . . . 118 ASP HB1 . 15913 1 985 . 1 1 115 115 ASP HB3 H 1 2.2700 . . 2 . . . . 118 ASP HB2 . 15913 1 986 . 1 1 115 115 ASP C C 13 172.8600 . . 1 . . . . 118 ASP C . 15913 1 987 . 1 1 115 115 ASP CA C 13 53.2600 . . 1 . . . . 118 ASP CA . 15913 1 988 . 1 1 115 115 ASP CB C 13 44.0000 . . 1 . . . . 118 ASP CB . 15913 1 989 . 1 1 115 115 ASP N N 15 127.1100 . . 1 . . . . 118 ASP N . 15913 1 990 . 1 1 116 116 VAL HA H 1 4.9100 . . 1 . . . . 119 VAL HA . 15913 1 991 . 1 1 116 116 VAL HB H 1 0.7100 . . 1 . . . . 119 VAL HB . 15913 1 992 . 1 1 116 116 VAL HG11 H 1 0.2100 . . 2 . . . . 119 VAL HG1# . 15913 1 993 . 1 1 116 116 VAL HG12 H 1 0.2100 . . 2 . . . . 119 VAL HG1# . 15913 1 994 . 1 1 116 116 VAL HG13 H 1 0.2100 . . 2 . . . . 119 VAL HG1# . 15913 1 995 . 1 1 116 116 VAL HG21 H 1 0.5300 . . 2 . . . . 119 VAL HG2# . 15913 1 996 . 1 1 116 116 VAL HG22 H 1 0.5300 . . 2 . . . . 119 VAL HG2# . 15913 1 997 . 1 1 116 116 VAL HG23 H 1 0.5300 . . 2 . . . . 119 VAL HG2# . 15913 1 998 . 1 1 116 116 VAL CA C 13 60.2200 . . 1 . . . . 119 VAL CA . 15913 1 999 . 1 1 116 116 VAL CB C 13 34.7500 . . 1 . . . . 119 VAL CB . 15913 1 1000 . 1 1 116 116 VAL CG1 C 13 21.1000 . . 2 . . . . 119 VAL CG1 . 15913 1 1001 . 1 1 116 116 VAL CG2 C 13 20.5800 . . 2 . . . . 119 VAL CG2 . 15913 1 1002 . 1 1 117 117 TYR H H 1 9.2300 . . 1 . . . . 120 TYR HN . 15913 1 1003 . 1 1 117 117 TYR HA H 1 4.9400 . . 1 . . . . 120 TYR HA . 15913 1 1004 . 1 1 117 117 TYR HB2 H 1 2.7100 . . 2 . . . . 120 TYR HB1 . 15913 1 1005 . 1 1 117 117 TYR HB3 H 1 2.5700 . . 2 . . . . 120 TYR HB2 . 15913 1 1006 . 1 1 117 117 TYR HD1 H 1 6.7700 . . 3 . . . . 120 TYR HD1 . 15913 1 1007 . 1 1 117 117 TYR HE1 H 1 6.6000 . . 3 . . . . 120 TYR HE1 . 15913 1 1008 . 1 1 117 117 TYR C C 13 171.8400 . . 1 . . . . 120 TYR C . 15913 1 1009 . 1 1 117 117 TYR CA C 13 57.4800 . . 1 . . . . 120 TYR CA . 15913 1 1010 . 1 1 117 117 TYR CB C 13 41.9300 . . 1 . . . . 120 TYR CB . 15913 1 1011 . 1 1 117 117 TYR CD1 C 13 133.0200 . . 3 . . . . 120 TYR CD1 . 15913 1 1012 . 1 1 117 117 TYR CE1 C 13 118.0000 . . 3 . . . . 120 TYR CE1 . 15913 1 1013 . 1 1 117 117 TYR N N 15 130.3600 . . 1 . . . . 120 TYR N . 15913 1 1014 . 1 1 118 118 ILE H H 1 8.5700 . . 1 . . . . 121 ILE HN . 15913 1 1015 . 1 1 118 118 ILE HA H 1 3.7100 . . 1 . . . . 121 ILE HA . 15913 1 1016 . 1 1 118 118 ILE HB H 1 0.9200 . . 1 . . . . 121 ILE HB . 15913 1 1017 . 1 1 118 118 ILE HD11 H 1 -0.3000 . . 1 . . . . 121 ILE HD1# . 15913 1 1018 . 1 1 118 118 ILE HD12 H 1 -0.3000 . . 1 . . . . 121 ILE HD1# . 15913 1 1019 . 1 1 118 118 ILE HD13 H 1 -0.3000 . . 1 . . . . 121 ILE HD1# . 15913 1 1020 . 1 1 118 118 ILE HG12 H 1 0.7100 . . 2 . . . . 121 ILE HG11 . 15913 1 1021 . 1 1 118 118 ILE HG13 H 1 -0.6400 . . 2 . . . . 121 ILE HG12 . 15913 1 1022 . 1 1 118 118 ILE HG21 H 1 0.4300 . . 1 . . . . 121 ILE HG2# . 15913 1 1023 . 1 1 118 118 ILE HG22 H 1 0.4300 . . 1 . . . . 121 ILE HG2# . 15913 1 1024 . 1 1 118 118 ILE HG23 H 1 0.4300 . . 1 . . . . 121 ILE HG2# . 15913 1 1025 . 1 1 118 118 ILE C C 13 172.8800 . . 1 . . . . 121 ILE C . 15913 1 1026 . 1 1 118 118 ILE CA C 13 59.9600 . . 1 . . . . 121 ILE CA . 15913 1 1027 . 1 1 118 118 ILE CB C 13 41.4600 . . 1 . . . . 121 ILE CB . 15913 1 1028 . 1 1 118 118 ILE CD1 C 13 13.8900 . . 1 . . . . 121 ILE CD1 . 15913 1 1029 . 1 1 118 118 ILE CG1 C 13 24.9200 . . 1 . . . . 121 ILE CG1 . 15913 1 1030 . 1 1 118 118 ILE CG2 C 13 16.8500 . . 1 . . . . 121 ILE CG2 . 15913 1 1031 . 1 1 118 118 ILE N N 15 128.2800 . . 1 . . . . 121 ILE N . 15913 1 1032 . 1 1 119 119 ASP H H 1 9.1400 . . 1 . . . . 122 ASP HN . 15913 1 1033 . 1 1 119 119 ASP HA H 1 5.0200 . . 1 . . . . 122 ASP HA . 15913 1 1034 . 1 1 119 119 ASP HB2 H 1 2.6300 . . 1 . . . . 122 ASP HB1 . 15913 1 1035 . 1 1 119 119 ASP HB3 H 1 2.1000 . . 1 . . . . 122 ASP HB2 . 15913 1 1036 . 1 1 119 119 ASP C C 13 173.3800 . . 1 . . . . 122 ASP C . 15913 1 1037 . 1 1 119 119 ASP CA C 13 53.3000 . . 1 . . . . 122 ASP CA . 15913 1 1038 . 1 1 119 119 ASP CB C 13 40.5000 . . 1 . . . . 122 ASP CB . 15913 1 1039 . 1 1 119 119 ASP N N 15 127.1500 . . 1 . . . . 122 ASP N . 15913 1 1040 . 1 1 120 120 GLU H H 1 8.1400 . . 1 . . . . 123 GLU HN . 15913 1 1041 . 1 1 120 120 GLU HA H 1 4.7600 . . 1 . . . . 123 GLU HA . 15913 1 1042 . 1 1 120 120 GLU HB2 H 1 2.5800 . . 1 . . . . 123 GLU HB1 . 15913 1 1043 . 1 1 120 120 GLU HB3 H 1 2.2200 . . 1 . . . . 123 GLU HB2 . 15913 1 1044 . 1 1 120 120 GLU HG2 H 1 2.2600 . . 2 . . . . 123 GLU HG2 . 15913 1 1045 . 1 1 120 120 GLU C C 13 173.3800 . . 1 . . . . 123 GLU C . 15913 1 1046 . 1 1 120 120 GLU CA C 13 54.5900 . . 1 . . . . 123 GLU CA . 15913 1 1047 . 1 1 120 120 GLU CB C 13 31.1700 . . 1 . . . . 123 GLU CB . 15913 1 1048 . 1 1 120 120 GLU CG C 13 34.5200 . . 1 . . . . 123 GLU CG . 15913 1 1049 . 1 1 120 120 GLU N N 15 117.7100 . . 1 . . . . 123 GLU N . 15913 1 1050 . 1 1 121 121 LYS H H 1 8.4600 . . 1 . . . . 124 LYS HN . 15913 1 1051 . 1 1 121 121 LYS HA H 1 4.5500 . . 1 . . . . 124 LYS HA . 15913 1 1052 . 1 1 121 121 LYS HB2 H 1 1.7900 . . 2 . . . . 124 LYS HB1 . 15913 1 1053 . 1 1 121 121 LYS HB3 H 1 1.3400 . . 2 . . . . 124 LYS HB2 . 15913 1 1054 . 1 1 121 121 LYS HE2 H 1 2.8700 . . 2 . . . . 124 LYS HE2 . 15913 1 1055 . 1 1 121 121 LYS HG2 H 1 1.4600 . . 2 . . . . 124 LYS HG1 . 15913 1 1056 . 1 1 121 121 LYS HG3 H 1 0.9500 . . 2 . . . . 124 LYS HG2 . 15913 1 1057 . 1 1 121 121 LYS C C 13 175.6600 . . 1 . . . . 124 LYS C . 15913 1 1058 . 1 1 121 121 LYS CA C 13 56.9700 . . 1 . . . . 124 LYS CA . 15913 1 1059 . 1 1 121 121 LYS CB C 13 32.7800 . . 1 . . . . 124 LYS CB . 15913 1 1060 . 1 1 121 121 LYS CE C 13 41.8000 . . 1 . . . . 124 LYS CE . 15913 1 1061 . 1 1 121 121 LYS CG C 13 26.2800 . . 1 . . . . 124 LYS CG . 15913 1 1062 . 1 1 121 121 LYS N N 15 118.6100 . . 1 . . . . 124 LYS N . 15913 1 1063 . 1 1 122 122 VAL H H 1 8.9200 . . 1 . . . . 125 VAL HN . 15913 1 1064 . 1 1 122 122 VAL HA H 1 4.3500 . . 1 . . . . 125 VAL HA . 15913 1 1065 . 1 1 122 122 VAL HB H 1 1.8500 . . 1 . . . . 125 VAL HB . 15913 1 1066 . 1 1 122 122 VAL HG11 H 1 1.0600 . . 2 . . . . 125 VAL HG1# . 15913 1 1067 . 1 1 122 122 VAL HG12 H 1 1.0600 . . 2 . . . . 125 VAL HG1# . 15913 1 1068 . 1 1 122 122 VAL HG13 H 1 1.0600 . . 2 . . . . 125 VAL HG1# . 15913 1 1069 . 1 1 122 122 VAL HG21 H 1 1.1800 . . 2 . . . . 125 VAL HG2# . 15913 1 1070 . 1 1 122 122 VAL HG22 H 1 1.1800 . . 2 . . . . 125 VAL HG2# . 15913 1 1071 . 1 1 122 122 VAL HG23 H 1 1.1800 . . 2 . . . . 125 VAL HG2# . 15913 1 1072 . 1 1 122 122 VAL C C 13 175.5900 . . 1 . . . . 125 VAL C . 15913 1 1073 . 1 1 122 122 VAL CA C 13 61.8500 . . 1 . . . . 125 VAL CA . 15913 1 1074 . 1 1 122 122 VAL CB C 13 34.3500 . . 1 . . . . 125 VAL CB . 15913 1 1075 . 1 1 122 122 VAL CG1 C 13 21.2000 . . 2 . . . . 125 VAL CG1 . 15913 1 1076 . 1 1 122 122 VAL CG2 C 13 21.7000 . . 2 . . . . 125 VAL CG2 . 15913 1 1077 . 1 1 122 122 VAL N N 15 126.1200 . . 1 . . . . 125 VAL N . 15913 1 1078 . 1 1 123 123 ASN H H 1 9.7900 . . 1 . . . . 126 ASN HN . 15913 1 1079 . 1 1 123 123 ASN HA H 1 4.4300 . . 1 . . . . 126 ASN HA . 15913 1 1080 . 1 1 123 123 ASN HB2 H 1 3.1300 . . 2 . . . . 126 ASN HB1 . 15913 1 1081 . 1 1 123 123 ASN HB3 H 1 2.8500 . . 2 . . . . 126 ASN HB2 . 15913 1 1082 . 1 1 123 123 ASN HD21 H 1 7.5900 . . 2 . . . . 126 ASN HD21 . 15913 1 1083 . 1 1 123 123 ASN HD22 H 1 6.9700 . . 2 . . . . 126 ASN HD22 . 15913 1 1084 . 1 1 123 123 ASN C C 13 174.6200 . . 1 . . . . 126 ASN C . 15913 1 1085 . 1 1 123 123 ASN CA C 13 54.4100 . . 1 . . . . 126 ASN CA . 15913 1 1086 . 1 1 123 123 ASN CB C 13 37.1100 . . 1 . . . . 126 ASN CB . 15913 1 1087 . 1 1 123 123 ASN N N 15 127.6400 . . 1 . . . . 126 ASN N . 15913 1 1088 . 1 1 123 123 ASN ND2 N 15 113.2400 . . 1 . . . . 126 ASN ND2 . 15913 1 1089 . 1 1 124 124 GLY H H 1 8.7000 . . 1 . . . . 127 GLY HN . 15913 1 1090 . 1 1 124 124 GLY HA2 H 1 4.2300 . . 2 . . . . 127 GLY HA1 . 15913 1 1091 . 1 1 124 124 GLY HA3 H 1 3.5900 . . 2 . . . . 127 GLY HA2 . 15913 1 1092 . 1 1 124 124 GLY C C 13 172.6700 . . 1 . . . . 127 GLY C . 15913 1 1093 . 1 1 124 124 GLY CA C 13 45.2400 . . 1 . . . . 127 GLY CA . 15913 1 1094 . 1 1 124 124 GLY N N 15 102.1600 . . 1 . . . . 127 GLY N . 15913 1 1095 . 1 1 125 125 LYS H H 1 7.6500 . . 1 . . . . 128 LYS HN . 15913 1 1096 . 1 1 125 125 LYS HA H 1 5.0000 . . 1 . . . . 128 LYS HA . 15913 1 1097 . 1 1 125 125 LYS HB2 H 1 1.8700 . . 2 . . . . 128 LYS HB1 . 15913 1 1098 . 1 1 125 125 LYS HB3 H 1 1.7500 . . 2 . . . . 128 LYS HB2 . 15913 1 1099 . 1 1 125 125 LYS HE2 H 1 3.0400 . . 2 . . . . 128 LYS HE2 . 15913 1 1100 . 1 1 125 125 LYS HG2 H 1 1.4600 . . 2 . . . . 128 LYS HG1 . 15913 1 1101 . 1 1 125 125 LYS HG3 H 1 1.4200 . . 2 . . . . 128 LYS HG2 . 15913 1 1102 . 1 1 125 125 LYS C C 13 172.3400 . . 1 . . . . 128 LYS C . 15913 1 1103 . 1 1 125 125 LYS CA C 13 52.9200 . . 1 . . . . 128 LYS CA . 15913 1 1104 . 1 1 125 125 LYS CB C 13 34.3700 . . 1 . . . . 128 LYS CB . 15913 1 1105 . 1 1 125 125 LYS CE C 13 41.8000 . . 1 . . . . 128 LYS CE . 15913 1 1106 . 1 1 125 125 LYS CG C 13 24.4100 . . 1 . . . . 128 LYS CG . 15913 1 1107 . 1 1 125 125 LYS N N 15 120.7900 . . 1 . . . . 128 LYS N . 15913 1 1108 . 1 1 126 126 PRO HA H 1 4.1100 . . 1 . . . . 129 PRO HA . 15913 1 1109 . 1 1 126 126 PRO HB2 H 1 2.1600 . . 2 . . . . 129 PRO HB1 . 15913 1 1110 . 1 1 126 126 PRO HB3 H 1 1.8500 . . 2 . . . . 129 PRO HB2 . 15913 1 1111 . 1 1 126 126 PRO HD2 H 1 3.8500 . . 2 . . . . 129 PRO HD1 . 15913 1 1112 . 1 1 126 126 PRO HD3 H 1 3.6700 . . 2 . . . . 129 PRO HD2 . 15913 1 1113 . 1 1 126 126 PRO HG2 H 1 2.1500 . . 2 . . . . 129 PRO HG1 . 15913 1 1114 . 1 1 126 126 PRO HG3 H 1 1.8900 . . 2 . . . . 129 PRO HG2 . 15913 1 1115 . 1 1 126 126 PRO CA C 13 64.3300 . . 1 . . . . 129 PRO CA . 15913 1 1116 . 1 1 126 126 PRO CB C 13 32.0200 . . 1 . . . . 129 PRO CB . 15913 1 1117 . 1 1 126 126 PRO CD C 13 51.0600 . . 1 . . . . 129 PRO CD . 15913 1 1118 . 1 1 126 126 PRO CG C 13 27.2900 . . 1 . . . . 129 PRO CG . 15913 1 1119 . 1 1 127 127 PHE H H 1 8.4600 . . 1 . . . . 130 PHE HN . 15913 1 1120 . 1 1 127 127 PHE HA H 1 4.7900 . . 1 . . . . 130 PHE HA . 15913 1 1121 . 1 1 127 127 PHE HB2 H 1 3.1200 . . 2 . . . . 130 PHE HB1 . 15913 1 1122 . 1 1 127 127 PHE HB3 H 1 3.0200 . . 2 . . . . 130 PHE HB2 . 15913 1 1123 . 1 1 127 127 PHE HD1 H 1 7.0800 . . 3 . . . . 130 PHE HD1 . 15913 1 1124 . 1 1 127 127 PHE C C 13 171.3500 . . 1 . . . . 130 PHE C . 15913 1 1125 . 1 1 127 127 PHE CA C 13 57.2100 . . 1 . . . . 130 PHE CA . 15913 1 1126 . 1 1 127 127 PHE CB C 13 42.3300 . . 1 . . . . 130 PHE CB . 15913 1 1127 . 1 1 127 127 PHE CD1 C 13 131.0200 . . 3 . . . . 130 PHE CD1 . 15913 1 1128 . 1 1 127 127 PHE N N 15 127.7500 . . 1 . . . . 130 PHE N . 15913 1 1129 . 1 1 128 128 LYS H H 1 7.3700 . . 1 . . . . 131 LYS HN . 15913 1 1130 . 1 1 128 128 LYS HA H 1 4.7500 . . 1 . . . . 131 LYS HA . 15913 1 1131 . 1 1 128 128 LYS HB2 H 1 1.3300 . . 2 . . . . 131 LYS HB1 . 15913 1 1132 . 1 1 128 128 LYS HB3 H 1 1.1800 . . 2 . . . . 131 LYS HB2 . 15913 1 1133 . 1 1 128 128 LYS HE2 H 1 2.7300 . . 2 . . . . 131 LYS HE1 . 15913 1 1134 . 1 1 128 128 LYS HE3 H 1 2.6000 . . 2 . . . . 131 LYS HE2 . 15913 1 1135 . 1 1 128 128 LYS HG2 H 1 0.9900 . . 2 . . . . 131 LYS HG1 . 15913 1 1136 . 1 1 128 128 LYS HG3 H 1 0.8800 . . 2 . . . . 131 LYS HG2 . 15913 1 1137 . 1 1 128 128 LYS C C 13 173.0300 . . 1 . . . . 131 LYS C . 15913 1 1138 . 1 1 128 128 LYS CA C 13 53.7000 . . 1 . . . . 131 LYS CA . 15913 1 1139 . 1 1 128 128 LYS CB C 13 34.3600 . . 1 . . . . 131 LYS CB . 15913 1 1140 . 1 1 128 128 LYS CD C 13 28.0200 . . 1 . . . . 131 LYS CD . 15913 1 1141 . 1 1 128 128 LYS CE C 13 42.2000 . . 1 . . . . 131 LYS CE . 15913 1 1142 . 1 1 128 128 LYS CG C 13 24.9000 . . 1 . . . . 131 LYS CG . 15913 1 1143 . 1 1 128 128 LYS N N 15 127.4400 . . 1 . . . . 131 LYS N . 15913 1 1144 . 1 1 129 129 TYR H H 1 8.2700 . . 1 . . . . 132 TYR HN . 15913 1 1145 . 1 1 129 129 TYR HA H 1 3.4200 . . 1 . . . . 132 TYR HA . 15913 1 1146 . 1 1 129 129 TYR HB2 H 1 1.6300 . . 1 . . . . 132 TYR HB1 . 15913 1 1147 . 1 1 129 129 TYR HB3 H 1 1.4300 . . 1 . . . . 132 TYR HB2 . 15913 1 1148 . 1 1 129 129 TYR HD1 H 1 7.0100 . . 3 . . . . 132 TYR HD# . 15913 1 1149 . 1 1 129 129 TYR HD2 H 1 7.0100 . . 3 . . . . 132 TYR HD# . 15913 1 1150 . 1 1 129 129 TYR C C 13 170.6500 . . 1 . . . . 132 TYR C . 15913 1 1151 . 1 1 129 129 TYR CA C 13 56.5400 . . 1 . . . . 132 TYR CA . 15913 1 1152 . 1 1 129 129 TYR CB C 13 42.3500 . . 1 . . . . 132 TYR CB . 15913 1 1153 . 1 1 129 129 TYR N N 15 128.8600 . . 1 . . . . 132 TYR N . 15913 1 1154 . 1 1 130 130 ASP H H 1 7.1000 . . 1 . . . . 133 ASP HN . 15913 1 1155 . 1 1 130 130 ASP HA H 1 4.4900 . . 1 . . . . 133 ASP HA . 15913 1 1156 . 1 1 130 130 ASP HB2 H 1 2.0200 . . 2 . . . . 133 ASP HB1 . 15913 1 1157 . 1 1 130 130 ASP HB3 H 1 1.8600 . . 2 . . . . 133 ASP HB2 . 15913 1 1158 . 1 1 130 130 ASP C C 13 172.8600 . . 1 . . . . 133 ASP C . 15913 1 1159 . 1 1 130 130 ASP CA C 13 51.5500 . . 1 . . . . 133 ASP CA . 15913 1 1160 . 1 1 130 130 ASP CB C 13 41.2300 . . 1 . . . . 133 ASP CB . 15913 1 1161 . 1 1 130 130 ASP N N 15 127.9700 . . 1 . . . . 133 ASP N . 15913 1 1162 . 1 1 131 131 HIS H H 1 7.5300 . . 1 . . . . 134 HIS HN . 15913 1 1163 . 1 1 131 131 HIS HA H 1 3.7400 . . 1 . . . . 134 HIS HA . 15913 1 1164 . 1 1 131 131 HIS HB2 H 1 0.8300 . . 2 . . . . 134 HIS HB1 . 15913 1 1165 . 1 1 131 131 HIS HB3 H 1 0.3600 . . 2 . . . . 134 HIS HB2 . 15913 1 1166 . 1 1 131 131 HIS C C 13 169.7600 . . 1 . . . . 134 HIS C . 15913 1 1167 . 1 1 131 131 HIS CA C 13 53.5000 . . 1 . . . . 134 HIS CA . 15913 1 1168 . 1 1 131 131 HIS CB C 13 34.8100 . . 1 . . . . 134 HIS CB . 15913 1 1169 . 1 1 131 131 HIS N N 15 118.3700 . . 1 . . . . 134 HIS N . 15913 1 1170 . 1 1 132 132 HIS H H 1 7.4500 . . 1 . . . . 135 HIS HN . 15913 1 1171 . 1 1 132 132 HIS HA H 1 4.8700 . . 1 . . . . 135 HIS HA . 15913 1 1172 . 1 1 132 132 HIS HB2 H 1 2.8900 . . 2 . . . . 135 HIS HB1 . 15913 1 1173 . 1 1 132 132 HIS HB3 H 1 2.7400 . . 2 . . . . 135 HIS HB2 . 15913 1 1174 . 1 1 132 132 HIS C C 13 172.5100 . . 1 . . . . 135 HIS C . 15913 1 1175 . 1 1 132 132 HIS CA C 13 53.8100 . . 1 . . . . 135 HIS CA . 15913 1 1176 . 1 1 132 132 HIS CB C 13 29.5800 . . 1 . . . . 135 HIS CB . 15913 1 1177 . 1 1 132 132 HIS N N 15 119.1400 . . 1 . . . . 135 HIS N . 15913 1 1178 . 1 1 133 133 TYR H H 1 8.9500 . . 1 . . . . 136 TYR HN . 15913 1 1179 . 1 1 133 133 TYR HA H 1 5.0800 . . 1 . . . . 136 TYR HA . 15913 1 1180 . 1 1 133 133 TYR HB2 H 1 3.6900 . . 1 . . . . 136 TYR HB1 . 15913 1 1181 . 1 1 133 133 TYR HB3 H 1 2.6300 . . 1 . . . . 136 TYR HB2 . 15913 1 1182 . 1 1 133 133 TYR HD1 H 1 6.8800 . . 3 . . . . 136 TYR HD# . 15913 1 1183 . 1 1 133 133 TYR HD2 H 1 6.8800 . . 3 . . . . 136 TYR HD# . 15913 1 1184 . 1 1 133 133 TYR C C 13 175.1400 . . 1 . . . . 136 TYR C . 15913 1 1185 . 1 1 133 133 TYR CA C 13 56.9700 . . 1 . . . . 136 TYR CA . 15913 1 1186 . 1 1 133 133 TYR CB C 13 44.0900 . . 1 . . . . 136 TYR CB . 15913 1 1187 . 1 1 133 133 TYR N N 15 120.8000 . . 1 . . . . 136 TYR N . 15913 1 1188 . 1 1 134 134 ASN H H 1 9.0200 . . 1 . . . . 137 ASN HN . 15913 1 1189 . 1 1 134 134 ASN HA H 1 5.4100 . . 1 . . . . 137 ASN HA . 15913 1 1190 . 1 1 134 134 ASN HB2 H 1 1.9600 . . 1 . . . . 137 ASN HB1 . 15913 1 1191 . 1 1 134 134 ASN HB3 H 1 1.8000 . . 1 . . . . 137 ASN HB2 . 15913 1 1192 . 1 1 134 134 ASN HD21 H 1 6.9200 . . 2 . . . . 137 ASN HD21 . 15913 1 1193 . 1 1 134 134 ASN HD22 H 1 6.6700 . . 2 . . . . 137 ASN HD22 . 15913 1 1194 . 1 1 134 134 ASN C C 13 173.3800 . . 1 . . . . 137 ASN C . 15913 1 1195 . 1 1 134 134 ASN CA C 13 52.7500 . . 1 . . . . 137 ASN CA . 15913 1 1196 . 1 1 134 134 ASN CB C 13 40.0900 . . 1 . . . . 137 ASN CB . 15913 1 1197 . 1 1 134 134 ASN N N 15 119.7500 . . 1 . . . . 137 ASN N . 15913 1 1198 . 1 1 134 134 ASN ND2 N 15 113.9800 . . 1 . . . . 137 ASN ND2 . 15913 1 1199 . 1 1 135 135 ILE H H 1 8.6300 . . 1 . . . . 138 ILE HN . 15913 1 1200 . 1 1 135 135 ILE HA H 1 4.7900 . . 1 . . . . 138 ILE HA . 15913 1 1201 . 1 1 135 135 ILE HB H 1 1.7100 . . 1 . . . . 138 ILE HB . 15913 1 1202 . 1 1 135 135 ILE HD11 H 1 0.7200 . . 1 . . . . 138 ILE HD1# . 15913 1 1203 . 1 1 135 135 ILE HD12 H 1 0.7200 . . 1 . . . . 138 ILE HD1# . 15913 1 1204 . 1 1 135 135 ILE HD13 H 1 0.7200 . . 1 . . . . 138 ILE HD1# . 15913 1 1205 . 1 1 135 135 ILE HG21 H 1 1.1900 . . 1 . . . . 138 ILE HG2# . 15913 1 1206 . 1 1 135 135 ILE HG22 H 1 1.1900 . . 1 . . . . 138 ILE HG2# . 15913 1 1207 . 1 1 135 135 ILE HG23 H 1 1.1900 . . 1 . . . . 138 ILE HG2# . 15913 1 1208 . 1 1 135 135 ILE C C 13 172.3400 . . 1 . . . . 138 ILE C . 15913 1 1209 . 1 1 135 135 ILE CA C 13 61.3600 . . 1 . . . . 138 ILE CA . 15913 1 1210 . 1 1 135 135 ILE CB C 13 43.5900 . . 1 . . . . 138 ILE CB . 15913 1 1211 . 1 1 135 135 ILE CD1 C 13 14.1000 . . 1 . . . . 138 ILE CD1 . 15913 1 1212 . 1 1 135 135 ILE CG1 C 13 25.3800 . . 1 . . . . 138 ILE CG1 . 15913 1 1213 . 1 1 135 135 ILE CG2 C 13 20.7500 . . 1 . . . . 138 ILE CG2 . 15913 1 1214 . 1 1 135 135 ILE N N 15 115.7600 . . 1 . . . . 138 ILE N . 15913 1 1215 . 1 1 136 136 THR H H 1 8.5100 . . 1 . . . . 139 THR HN . 15913 1 1216 . 1 1 136 136 THR HA H 1 5.0300 . . 1 . . . . 139 THR HA . 15913 1 1217 . 1 1 136 136 THR HB H 1 3.7200 . . 1 . . . . 139 THR HB . 15913 1 1218 . 1 1 136 136 THR HG21 H 1 1.1900 . . 1 . . . . 139 THR HG2# . 15913 1 1219 . 1 1 136 136 THR HG22 H 1 1.1900 . . 1 . . . . 139 THR HG2# . 15913 1 1220 . 1 1 136 136 THR HG23 H 1 1.1900 . . 1 . . . . 139 THR HG2# . 15913 1 1221 . 1 1 136 136 THR C C 13 171.3000 . . 1 . . . . 139 THR C . 15913 1 1222 . 1 1 136 136 THR CA C 13 62.7700 . . 1 . . . . 139 THR CA . 15913 1 1223 . 1 1 136 136 THR CB C 13 72.4400 . . 1 . . . . 139 THR CB . 15913 1 1224 . 1 1 136 136 THR CG2 C 13 22.3000 . . 1 . . . . 139 THR CG2 . 15913 1 1225 . 1 1 136 136 THR N N 15 118.6100 . . 1 . . . . 139 THR N . 15913 1 1226 . 1 1 137 137 TYR H H 1 9.6200 . . 1 . . . . 140 TYR HN . 15913 1 1227 . 1 1 137 137 TYR HA H 1 4.2900 . . 1 . . . . 140 TYR HA . 15913 1 1228 . 1 1 137 137 TYR HB2 H 1 2.6200 . . 1 . . . . 140 TYR HB1 . 15913 1 1229 . 1 1 137 137 TYR HB3 H 1 1.6500 . . 1 . . . . 140 TYR HB2 . 15913 1 1230 . 1 1 137 137 TYR HD1 H 1 6.6200 . . 3 . . . . 140 TYR HD# . 15913 1 1231 . 1 1 137 137 TYR HD2 H 1 6.6200 . . 3 . . . . 140 TYR HD# . 15913 1 1232 . 1 1 137 137 TYR HE1 H 1 6.3200 . . 3 . . . . 140 TYR HE1 . 15913 1 1233 . 1 1 137 137 TYR C C 13 173.5800 . . 1 . . . . 140 TYR C . 15913 1 1234 . 1 1 137 137 TYR CA C 13 57.9900 . . 1 . . . . 140 TYR CA . 15913 1 1235 . 1 1 137 137 TYR CB C 13 40.4000 . . 1 . . . . 140 TYR CB . 15913 1 1236 . 1 1 137 137 TYR CD1 C 13 132.0900 . . 3 . . . . 140 TYR CD1 . 15913 1 1237 . 1 1 137 137 TYR CE1 C 13 117.4800 . . 3 . . . . 140 TYR CE1 . 15913 1 1238 . 1 1 137 137 TYR N N 15 127.1700 . . 1 . . . . 140 TYR N . 15913 1 1239 . 1 1 138 138 LYS H H 1 8.6000 . . 1 . . . . 141 LYS HN . 15913 1 1240 . 1 1 138 138 LYS HA H 1 4.5700 . . 1 . . . . 141 LYS HA . 15913 1 1241 . 1 1 138 138 LYS HB2 H 1 1.4100 . . 2 . . . . 141 LYS HB1 . 15913 1 1242 . 1 1 138 138 LYS HB3 H 1 0.7700 . . 2 . . . . 141 LYS HB2 . 15913 1 1243 . 1 1 138 138 LYS HE2 H 1 2.8700 . . 2 . . . . 141 LYS HE2 . 15913 1 1244 . 1 1 138 138 LYS HG2 H 1 1.1100 . . 2 . . . . 141 LYS HG1 . 15913 1 1245 . 1 1 138 138 LYS HG3 H 1 0.9600 . . 2 . . . . 141 LYS HG2 . 15913 1 1246 . 1 1 138 138 LYS C C 13 174.3300 . . 1 . . . . 141 LYS C . 15913 1 1247 . 1 1 138 138 LYS CA C 13 54.5100 . . 1 . . . . 141 LYS CA . 15913 1 1248 . 1 1 138 138 LYS CB C 13 34.0200 . . 1 . . . . 141 LYS CB . 15913 1 1249 . 1 1 138 138 LYS CE C 13 42.0000 . . 1 . . . . 141 LYS CE . 15913 1 1250 . 1 1 138 138 LYS CG C 13 25.0900 . . 1 . . . . 141 LYS CG . 15913 1 1251 . 1 1 138 138 LYS N N 15 122.3100 . . 1 . . . . 141 LYS N . 15913 1 1252 . 1 1 139 139 PHE H H 1 8.7600 . . 1 . . . . 142 PHE HN . 15913 1 1253 . 1 1 139 139 PHE HA H 1 4.8800 . . 1 . . . . 142 PHE HA . 15913 1 1254 . 1 1 139 139 PHE HB2 H 1 3.1600 . . 1 . . . . 142 PHE HB1 . 15913 1 1255 . 1 1 139 139 PHE HB3 H 1 2.6500 . . 1 . . . . 142 PHE HB2 . 15913 1 1256 . 1 1 139 139 PHE HD1 H 1 6.9700 . . 3 . . . . 142 PHE HD1 . 15913 1 1257 . 1 1 139 139 PHE HE1 H 1 6.6000 . . 3 . . . . 142 PHE HE1 . 15913 1 1258 . 1 1 139 139 PHE C C 13 175.2900 . . 1 . . . . 142 PHE C . 15913 1 1259 . 1 1 139 139 PHE CA C 13 56.1200 . . 1 . . . . 142 PHE CA . 15913 1 1260 . 1 1 139 139 PHE CB C 13 39.7700 . . 1 . . . . 142 PHE CB . 15913 1 1261 . 1 1 139 139 PHE CD1 C 13 130.6800 . . 3 . . . . 142 PHE CD1 . 15913 1 1262 . 1 1 139 139 PHE CE1 C 13 130.8400 . . 3 . . . . 142 PHE CE1 . 15913 1 1263 . 1 1 139 139 PHE N N 15 125.2600 . . 1 . . . . 142 PHE N . 15913 1 1264 . 1 1 140 140 ASN H H 1 8.7400 . . 1 . . . . 143 ASN HN . 15913 1 1265 . 1 1 140 140 ASN HA H 1 5.3700 . . 1 . . . . 143 ASN HA . 15913 1 1266 . 1 1 140 140 ASN HB2 H 1 3.0100 . . 1 . . . . 143 ASN HB1 . 15913 1 1267 . 1 1 140 140 ASN HB3 H 1 2.4700 . . 1 . . . . 143 ASN HB2 . 15913 1 1268 . 1 1 140 140 ASN HD21 H 1 7.1000 . . 2 . . . . 143 ASN HD21 . 15913 1 1269 . 1 1 140 140 ASN HD22 H 1 6.8400 . . 2 . . . . 143 ASN HD22 . 15913 1 1270 . 1 1 140 140 ASN C C 13 174.3000 . . 1 . . . . 143 ASN C . 15913 1 1271 . 1 1 140 140 ASN CA C 13 51.9500 . . 1 . . . . 143 ASN CA . 15913 1 1272 . 1 1 140 140 ASN CB C 13 38.7600 . . 1 . . . . 143 ASN CB . 15913 1 1273 . 1 1 140 140 ASN N N 15 123.9000 . . 1 . . . . 143 ASN N . 15913 1 1274 . 1 1 140 140 ASN ND2 N 15 111.9400 . . 1 . . . . 143 ASN ND2 . 15913 1 1275 . 1 1 141 141 GLY H H 1 7.9500 . . 1 . . . . 144 GLY HN . 15913 1 1276 . 1 1 141 141 GLY HA2 H 1 4.4600 . . 2 . . . . 144 GLY HA1 . 15913 1 1277 . 1 1 141 141 GLY HA3 H 1 3.6400 . . 2 . . . . 144 GLY HA2 . 15913 1 1278 . 1 1 141 141 GLY C C 13 169.7600 . . 1 . . . . 144 GLY C . 15913 1 1279 . 1 1 141 141 GLY CA C 13 45.0900 . . 1 . . . . 144 GLY CA . 15913 1 1280 . 1 1 141 141 GLY N N 15 108.9400 . . 1 . . . . 144 GLY N . 15913 1 1281 . 1 1 142 142 PRO HA H 1 4.3300 . . 1 . . . . 145 PRO HA . 15913 1 1282 . 1 1 142 142 PRO HB2 H 1 2.2000 . . 2 . . . . 145 PRO HB1 . 15913 1 1283 . 1 1 142 142 PRO HB3 H 1 1.8100 . . 2 . . . . 145 PRO HB2 . 15913 1 1284 . 1 1 142 142 PRO HD2 H 1 3.7500 . . 2 . . . . 145 PRO HD1 . 15913 1 1285 . 1 1 142 142 PRO HD3 H 1 3.6000 . . 2 . . . . 145 PRO HD2 . 15913 1 1286 . 1 1 142 142 PRO HG2 H 1 1.9600 . . 2 . . . . 145 PRO HG1 . 15913 1 1287 . 1 1 142 142 PRO HG3 H 1 1.8800 . . 2 . . . . 145 PRO HG2 . 15913 1 1288 . 1 1 142 142 PRO CA C 13 63.0000 . . 1 . . . . 145 PRO CA . 15913 1 1289 . 1 1 142 142 PRO CB C 13 32.0100 . . 1 . . . . 145 PRO CB . 15913 1 1290 . 1 1 142 142 PRO CD C 13 50.8900 . . 1 . . . . 145 PRO CD . 15913 1 1291 . 1 1 142 142 PRO CG C 13 27.5400 . . 1 . . . . 145 PRO CG . 15913 1 1292 . 1 1 143 143 THR H H 1 8.1900 . . 1 . . . . 146 THR HN . 15913 1 1293 . 1 1 143 143 THR HA H 1 4.0900 . . 1 . . . . 146 THR HA . 15913 1 1294 . 1 1 143 143 THR HB H 1 4.2000 . . 1 . . . . 146 THR HB . 15913 1 1295 . 1 1 143 143 THR HG21 H 1 1.0900 . . 1 . . . . 146 THR HG2# . 15913 1 1296 . 1 1 143 143 THR HG22 H 1 1.0900 . . 1 . . . . 146 THR HG2# . 15913 1 1297 . 1 1 143 143 THR HG23 H 1 1.0900 . . 1 . . . . 146 THR HG2# . 15913 1 1298 . 1 1 143 143 THR C C 13 173.3800 . . 1 . . . . 146 THR C . 15913 1 1299 . 1 1 143 143 THR CA C 13 61.6400 . . 1 . . . . 146 THR CA . 15913 1 1300 . 1 1 143 143 THR CB C 13 69.5000 . . 1 . . . . 146 THR CB . 15913 1 1301 . 1 1 143 143 THR CG2 C 13 21.4400 . . 1 . . . . 146 THR CG2 . 15913 1 1302 . 1 1 143 143 THR N N 15 112.3700 . . 1 . . . . 146 THR N . 15913 1 1303 . 1 1 144 144 ASP H H 1 8.2300 . . 1 . . . . 147 ASP HN . 15913 1 1304 . 1 1 144 144 ASP HA H 1 4.5800 . . 1 . . . . 147 ASP HA . 15913 1 1305 . 1 1 144 144 ASP HB2 H 1 2.5700 . . 2 . . . . 147 ASP HB1 . 15913 1 1306 . 1 1 144 144 ASP HB3 H 1 2.5200 . . 2 . . . . 147 ASP HB2 . 15913 1 1307 . 1 1 144 144 ASP C C 13 174.7200 . . 1 . . . . 147 ASP C . 15913 1 1308 . 1 1 144 144 ASP CA C 13 53.9700 . . 1 . . . . 147 ASP CA . 15913 1 1309 . 1 1 144 144 ASP CB C 13 41.1800 . . 1 . . . . 147 ASP CB . 15913 1 1310 . 1 1 144 144 ASP N N 15 121.6900 . . 1 . . . . 147 ASP N . 15913 1 1311 . 1 1 145 145 VAL H H 1 7.8600 . . 1 . . . . 148 VAL HN . 15913 1 1312 . 1 1 145 145 VAL HA H 1 4.0900 . . 1 . . . . 148 VAL HA . 15913 1 1313 . 1 1 145 145 VAL HB H 1 1.9800 . . 1 . . . . 148 VAL HB . 15913 1 1314 . 1 1 145 145 VAL HG11 H 1 0.7800 . . 2 . . . . 148 VAL HG1# . 15913 1 1315 . 1 1 145 145 VAL HG12 H 1 0.7800 . . 2 . . . . 148 VAL HG1# . 15913 1 1316 . 1 1 145 145 VAL HG13 H 1 0.7800 . . 2 . . . . 148 VAL HG1# . 15913 1 1317 . 1 1 145 145 VAL HG21 H 1 0.8000 . . 2 . . . . 148 VAL HG2# . 15913 1 1318 . 1 1 145 145 VAL HG22 H 1 0.8000 . . 2 . . . . 148 VAL HG2# . 15913 1 1319 . 1 1 145 145 VAL HG23 H 1 0.8000 . . 2 . . . . 148 VAL HG2# . 15913 1 1320 . 1 1 145 145 VAL C C 13 174.2500 . . 1 . . . . 148 VAL C . 15913 1 1321 . 1 1 145 145 VAL CA C 13 61.4300 . . 1 . . . . 148 VAL CA . 15913 1 1322 . 1 1 145 145 VAL CB C 13 32.5000 . . 1 . . . . 148 VAL CB . 15913 1 1323 . 1 1 145 145 VAL CG1 C 13 20.0500 . . 2 . . . . 148 VAL CG1 . 15913 1 1324 . 1 1 145 145 VAL CG2 C 13 21.6000 . . 2 . . . . 148 VAL CG2 . 15913 1 1325 . 1 1 145 145 VAL N N 15 118.8000 . . 1 . . . . 148 VAL N . 15913 1 1326 . 1 1 146 146 ALA H H 1 8.2600 . . 1 . . . . 149 ALA HN . 15913 1 1327 . 1 1 146 146 ALA HA H 1 4.4000 . . 1 . . . . 149 ALA HA . 15913 1 1328 . 1 1 146 146 ALA HB1 H 1 1.4200 . . 1 . . . . 149 ALA HB# . 15913 1 1329 . 1 1 146 146 ALA HB2 H 1 1.4200 . . 1 . . . . 149 ALA HB# . 15913 1 1330 . 1 1 146 146 ALA HB3 H 1 1.4200 . . 1 . . . . 149 ALA HB# . 15913 1 1331 . 1 1 146 146 ALA C C 13 175.7900 . . 1 . . . . 149 ALA C . 15913 1 1332 . 1 1 146 146 ALA CA C 13 52.4300 . . 1 . . . . 149 ALA CA . 15913 1 1333 . 1 1 146 146 ALA CB C 13 19.4700 . . 1 . . . . 149 ALA CB . 15913 1 1334 . 1 1 146 146 ALA N N 15 127.7300 . . 1 . . . . 149 ALA N . 15913 1 1335 . 1 1 147 147 GLY H H 1 7.9100 . . 1 . . . . 150 GLY HN . 15913 1 1336 . 1 1 147 147 GLY HA2 H 1 3.6500 . . 2 . . . . 150 GLY HA2 . 15913 1 1337 . 1 1 147 147 GLY C C 13 177.8700 . . 1 . . . . 150 GLY C . 15913 1 1338 . 1 1 147 147 GLY CA C 13 45.8000 . . 1 . . . . 150 GLY CA . 15913 1 1339 . 1 1 147 147 GLY N N 15 114.6000 . . 1 . . . . 150 GLY N . 15913 1 1340 . 2 2 1 1 ZNH HAB H 1 7.8800 . . 9 . . . . 148 ZNH HAB . 15913 1 1341 . 2 2 1 1 ZNH HAC H 1 8.4900 . . 9 . . . . 148 ZNH HAC . 15913 1 1342 . 2 2 1 1 ZNH HBC1 H 1 6.0000 . . 9 . . . . 148 ZNH HBC1 . 15913 1 1343 . 2 2 1 1 ZNH HHA H 1 10.0000 . . 9 . . . . 148 ZNH HHA . 15913 1 1344 . 2 2 1 1 ZNH HHC H 1 9.7800 . . 9 . . . . 148 ZNH HHC . 15913 1 1345 . 2 2 1 1 ZNH HHD H 1 9.7700 . . 9 . . . . 148 ZNH HHD . 15913 1 1346 . 2 2 1 1 ZNH HMC1 H 1 2.9600 . . 9 . . . . 148 ZNH HMC1 . 15913 1 1347 . 2 2 1 1 ZNH HMC3 H 1 2.9600 . . 9 . . . . 148 ZNH HMC3 . 15913 1 1348 . 2 2 1 1 ZNH HMD1 H 1 3.1100 . . 9 . . . . 148 ZNH HMD# . 15913 1 1349 . 2 2 1 1 ZNH HMD2 H 1 3.1100 . . 9 . . . . 148 ZNH HMD# . 15913 1 1350 . 2 2 1 1 ZNH HMD3 H 1 3.1100 . . 9 . . . . 148 ZNH HMD# . 15913 1 stop_ save_