data_17577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17577 _Entry.Title ; Siderocalin Q83 reveals a dual ligand binding mode ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-07 _Entry.Accession_date 2011-04-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Siderocalin Q83 in complex with enterobactin and arachidonic acid' _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 Nicolas Coudevylle . . . 17577 2 Matthias Hoetzinger . . . 17577 3 Leonhard Geist . . . 17577 4 Georg Kontaxis . . . 17577 5 Klaus Bister . . . 17577 6 Robert Konrat . . . 17577 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' . 17577 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Arachidonic Acid' . 17577 Enterobactin . 17577 Lipocalin . 17577 NMR . 17577 Siderocalin . 17577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 613 17577 '15N chemical shifts' 151 17577 '1H chemical shifts' 718 17577 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 . . 2012-03-08 2011-04-07 update BMRB 'update entry citation' 17577 1 . . 2011-10-12 2011-04-07 original author 'original release' 17577 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBV 'BMRB Entry Tracking System' 17577 stop_ save_ ############### # Citations # ############### save_Siderocalin_Q83_reveals_a_dual_ligand_binding_site _Citation.Sf_category citations _Citation.Sf_framecode Siderocalin_Q83_reveals_a_dual_ligand_binding_site _Citation.Entry_ID 17577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21951132 _Citation.Full_citation . _Citation.Title 'Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 43 _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 9192 _Citation.Page_last 9199 _Citation.Year 2011 _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 Nicolas Coudevylle . . . 17577 1 2 Matthias Hoetzinger . . . 17577 1 3 Leonhard Geist . . . 17577 1 4 Georg Kontaxis . . . 17577 1 5 Markus Hartl . . . 17577 1 6 Klaus Bister . . . 17577 1 7 Robert Konrat . . . 17577 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17577 _Assembly.ID 1 _Assembly.Name 'Siderocalin Q83' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 Siderocalin_Q83 1 $Q83 A . yes native no no . . . 17577 1 2 EB4 2 $EB4 B . no native no no . . . 17577 1 3 'Gallium (III) ion' 3 $GA C . no native no no . . . 17577 1 4 'ARACHIDONIC ACID' 4 $ACD D . no native no no . . . 17577 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 152 152 SG . . . . . . . . . . 17577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Q83 _Entity.Sf_category entity _Entity.Sf_framecode Q83 _Entity.Entry_ID 17577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Q83 _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 ; MTVPDRSEIAGKWYVVALAS NTEFFLREKDKMKMAMARIS FLGEDELKVSYAVPKPNGCR KWETTFKKTSDDGEVYYSEE AKKKVEVLDTDYKSYAVIYA TRVKDGRTLHMMRLYSRSPE VSPAATAIFRKLAGERNYTD EMVAMLPRQEECTVDEV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18104.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 16682 . Q83 . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 17577 1 2 no BMRB 4664 . Q83 . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 17577 1 3 no PDB 1JZU . "Cell Transformation By The Myc Oncogene Activates Expression Of A Lipocalin: Analysis Of The Gene (Q83) And Solution Structure " . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 17577 1 4 no PDB 2KT4 . "Lipocalin Q83 Is A Siderocalin" . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 17577 1 5 no PDB 2LBV . "Siderocalin Q83 Reveals A Dual Ligand Binding Mode" . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 17577 1 6 no GB AAF35894 . "lipocalin Q83 [Coturnix coturnix]" . . . . . 99.36 178 100.00 100.00 7.26e-110 . . . . 17577 1 7 no GB AAK31634 . "lipocalin Q83 [Coturnix coturnix]" . . . . . 99.36 178 99.36 100.00 3.14e-109 . . . . 17577 1 8 no SP Q9I9P7 . "RecName: Full=Extracellular fatty acid-binding protein; Short=Ex-FABP; AltName: Full=Lipocalin Q83; Flags: Precursor" . . . . . 99.36 178 100.00 100.00 7.26e-110 . . . . 17577 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17577 1 2 . THR . 17577 1 3 . VAL . 17577 1 4 . PRO . 17577 1 5 . ASP . 17577 1 6 . ARG . 17577 1 7 . SER . 17577 1 8 . GLU . 17577 1 9 . ILE . 17577 1 10 . ALA . 17577 1 11 . GLY . 17577 1 12 . LYS . 17577 1 13 . TRP . 17577 1 14 . TYR . 17577 1 15 . VAL . 17577 1 16 . VAL . 17577 1 17 . ALA . 17577 1 18 . LEU . 17577 1 19 . ALA . 17577 1 20 . SER . 17577 1 21 . ASN . 17577 1 22 . THR . 17577 1 23 . GLU . 17577 1 24 . PHE . 17577 1 25 . PHE . 17577 1 26 . LEU . 17577 1 27 . ARG . 17577 1 28 . GLU . 17577 1 29 . LYS . 17577 1 30 . ASP . 17577 1 31 . LYS . 17577 1 32 . MET . 17577 1 33 . LYS . 17577 1 34 . MET . 17577 1 35 . ALA . 17577 1 36 . MET . 17577 1 37 . ALA . 17577 1 38 . ARG . 17577 1 39 . ILE . 17577 1 40 . SER . 17577 1 41 . PHE . 17577 1 42 . LEU . 17577 1 43 . GLY . 17577 1 44 . GLU . 17577 1 45 . ASP . 17577 1 46 . GLU . 17577 1 47 . LEU . 17577 1 48 . LYS . 17577 1 49 . VAL . 17577 1 50 . SER . 17577 1 51 . TYR . 17577 1 52 . ALA . 17577 1 53 . VAL . 17577 1 54 . PRO . 17577 1 55 . LYS . 17577 1 56 . PRO . 17577 1 57 . ASN . 17577 1 58 . GLY . 17577 1 59 . CYS . 17577 1 60 . ARG . 17577 1 61 . LYS . 17577 1 62 . TRP . 17577 1 63 . GLU . 17577 1 64 . THR . 17577 1 65 . THR . 17577 1 66 . PHE . 17577 1 67 . LYS . 17577 1 68 . LYS . 17577 1 69 . THR . 17577 1 70 . SER . 17577 1 71 . ASP . 17577 1 72 . ASP . 17577 1 73 . GLY . 17577 1 74 . GLU . 17577 1 75 . VAL . 17577 1 76 . TYR . 17577 1 77 . TYR . 17577 1 78 . SER . 17577 1 79 . GLU . 17577 1 80 . GLU . 17577 1 81 . ALA . 17577 1 82 . LYS . 17577 1 83 . LYS . 17577 1 84 . LYS . 17577 1 85 . VAL . 17577 1 86 . GLU . 17577 1 87 . VAL . 17577 1 88 . LEU . 17577 1 89 . ASP . 17577 1 90 . THR . 17577 1 91 . ASP . 17577 1 92 . TYR . 17577 1 93 . LYS . 17577 1 94 . SER . 17577 1 95 . TYR . 17577 1 96 . ALA . 17577 1 97 . VAL . 17577 1 98 . ILE . 17577 1 99 . TYR . 17577 1 100 . ALA . 17577 1 101 . THR . 17577 1 102 . ARG . 17577 1 103 . VAL . 17577 1 104 . LYS . 17577 1 105 . ASP . 17577 1 106 . GLY . 17577 1 107 . ARG . 17577 1 108 . THR . 17577 1 109 . LEU . 17577 1 110 . HIS . 17577 1 111 . MET . 17577 1 112 . MET . 17577 1 113 . ARG . 17577 1 114 . LEU . 17577 1 115 . TYR . 17577 1 116 . SER . 17577 1 117 . ARG . 17577 1 118 . SER . 17577 1 119 . PRO . 17577 1 120 . GLU . 17577 1 121 . VAL . 17577 1 122 . SER . 17577 1 123 . PRO . 17577 1 124 . ALA . 17577 1 125 . ALA . 17577 1 126 . THR . 17577 1 127 . ALA . 17577 1 128 . ILE . 17577 1 129 . PHE . 17577 1 130 . ARG . 17577 1 131 . LYS . 17577 1 132 . LEU . 17577 1 133 . ALA . 17577 1 134 . GLY . 17577 1 135 . GLU . 17577 1 136 . ARG . 17577 1 137 . ASN . 17577 1 138 . TYR . 17577 1 139 . THR . 17577 1 140 . ASP . 17577 1 141 . GLU . 17577 1 142 . MET . 17577 1 143 . VAL . 17577 1 144 . ALA . 17577 1 145 . MET . 17577 1 146 . LEU . 17577 1 147 . PRO . 17577 1 148 . ARG . 17577 1 149 . GLN . 17577 1 150 . GLU . 17577 1 151 . GLU . 17577 1 152 . CYS . 17577 1 153 . THR . 17577 1 154 . VAL . 17577 1 155 . ASP . 17577 1 156 . GLU . 17577 1 157 . VAL . 17577 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 17577 1 . THR 2 2 17577 1 . VAL 3 3 17577 1 . PRO 4 4 17577 1 . ASP 5 5 17577 1 . ARG 6 6 17577 1 . SER 7 7 17577 1 . GLU 8 8 17577 1 . ILE 9 9 17577 1 . ALA 10 10 17577 1 . GLY 11 11 17577 1 . LYS 12 12 17577 1 . TRP 13 13 17577 1 . TYR 14 14 17577 1 . VAL 15 15 17577 1 . VAL 16 16 17577 1 . ALA 17 17 17577 1 . LEU 18 18 17577 1 . ALA 19 19 17577 1 . SER 20 20 17577 1 . ASN 21 21 17577 1 . THR 22 22 17577 1 . GLU 23 23 17577 1 . PHE 24 24 17577 1 . PHE 25 25 17577 1 . LEU 26 26 17577 1 . ARG 27 27 17577 1 . GLU 28 28 17577 1 . LYS 29 29 17577 1 . ASP 30 30 17577 1 . LYS 31 31 17577 1 . MET 32 32 17577 1 . LYS 33 33 17577 1 . MET 34 34 17577 1 . ALA 35 35 17577 1 . MET 36 36 17577 1 . ALA 37 37 17577 1 . ARG 38 38 17577 1 . ILE 39 39 17577 1 . SER 40 40 17577 1 . PHE 41 41 17577 1 . LEU 42 42 17577 1 . GLY 43 43 17577 1 . GLU 44 44 17577 1 . ASP 45 45 17577 1 . GLU 46 46 17577 1 . LEU 47 47 17577 1 . LYS 48 48 17577 1 . VAL 49 49 17577 1 . SER 50 50 17577 1 . TYR 51 51 17577 1 . ALA 52 52 17577 1 . VAL 53 53 17577 1 . PRO 54 54 17577 1 . LYS 55 55 17577 1 . PRO 56 56 17577 1 . ASN 57 57 17577 1 . GLY 58 58 17577 1 . CYS 59 59 17577 1 . ARG 60 60 17577 1 . LYS 61 61 17577 1 . TRP 62 62 17577 1 . GLU 63 63 17577 1 . THR 64 64 17577 1 . THR 65 65 17577 1 . PHE 66 66 17577 1 . LYS 67 67 17577 1 . LYS 68 68 17577 1 . THR 69 69 17577 1 . SER 70 70 17577 1 . ASP 71 71 17577 1 . ASP 72 72 17577 1 . GLY 73 73 17577 1 . GLU 74 74 17577 1 . VAL 75 75 17577 1 . TYR 76 76 17577 1 . TYR 77 77 17577 1 . SER 78 78 17577 1 . GLU 79 79 17577 1 . GLU 80 80 17577 1 . ALA 81 81 17577 1 . LYS 82 82 17577 1 . LYS 83 83 17577 1 . LYS 84 84 17577 1 . VAL 85 85 17577 1 . GLU 86 86 17577 1 . VAL 87 87 17577 1 . LEU 88 88 17577 1 . ASP 89 89 17577 1 . THR 90 90 17577 1 . ASP 91 91 17577 1 . TYR 92 92 17577 1 . LYS 93 93 17577 1 . SER 94 94 17577 1 . TYR 95 95 17577 1 . ALA 96 96 17577 1 . VAL 97 97 17577 1 . ILE 98 98 17577 1 . TYR 99 99 17577 1 . ALA 100 100 17577 1 . THR 101 101 17577 1 . ARG 102 102 17577 1 . VAL 103 103 17577 1 . LYS 104 104 17577 1 . ASP 105 105 17577 1 . GLY 106 106 17577 1 . ARG 107 107 17577 1 . THR 108 108 17577 1 . LEU 109 109 17577 1 . HIS 110 110 17577 1 . MET 111 111 17577 1 . MET 112 112 17577 1 . ARG 113 113 17577 1 . LEU 114 114 17577 1 . TYR 115 115 17577 1 . SER 116 116 17577 1 . ARG 117 117 17577 1 . SER 118 118 17577 1 . PRO 119 119 17577 1 . GLU 120 120 17577 1 . VAL 121 121 17577 1 . SER 122 122 17577 1 . PRO 123 123 17577 1 . ALA 124 124 17577 1 . ALA 125 125 17577 1 . THR 126 126 17577 1 . ALA 127 127 17577 1 . ILE 128 128 17577 1 . PHE 129 129 17577 1 . ARG 130 130 17577 1 . LYS 131 131 17577 1 . LEU 132 132 17577 1 . ALA 133 133 17577 1 . GLY 134 134 17577 1 . GLU 135 135 17577 1 . ARG 136 136 17577 1 . ASN 137 137 17577 1 . TYR 138 138 17577 1 . THR 139 139 17577 1 . ASP 140 140 17577 1 . GLU 141 141 17577 1 . MET 142 142 17577 1 . VAL 143 143 17577 1 . ALA 144 144 17577 1 . MET 145 145 17577 1 . LEU 146 146 17577 1 . PRO 147 147 17577 1 . ARG 148 148 17577 1 . GLN 149 149 17577 1 . GLU 150 150 17577 1 . GLU 151 151 17577 1 . CYS 152 152 17577 1 . THR 153 153 17577 1 . VAL 154 154 17577 1 . ASP 155 155 17577 1 . GLU 156 156 17577 1 . VAL 157 157 17577 1 stop_ save_ save_EB4 _Entity.Sf_category entity _Entity.Sf_framecode EB4 _Entity.Entry_ID 17577 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name EB4 _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 EB4 _Entity.Nonpolymer_comp_label $chem_comp_EB4 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 669.554 _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 . EB4 . 17577 2 stop_ save_ save_GA _Entity.Sf_category entity _Entity.Sf_framecode GA _Entity.Entry_ID 17577 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name GA _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 GA _Entity.Nonpolymer_comp_label $chem_comp_GA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 69.723 _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 . GA . 17577 3 stop_ save_ save_ACD _Entity.Sf_category entity _Entity.Sf_framecode ACD _Entity.Entry_ID 17577 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name ACD _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 ACD _Entity.Nonpolymer_comp_label $chem_comp_ACD _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 304.472 _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 . ACD . 17577 4 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 17577 _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 $Q83 . 9091 organism . 'Coturnix coturnix' 'common quail' . . Eukaryota Metazoa Coturnix coturnix . . . . . . . . . . . . . . . . . . . . . 17577 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 17577 _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 $Q83 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3d . . . . . . 17577 1 2 2 $EB4 . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 17577 1 3 3 $GA . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17577 1 4 4 $ACD . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17577 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_EB4 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_EB4 _Chem_comp.Entry_ID 17577 _Chem_comp.ID EB4 _Chem_comp.Provenance . _Chem_comp.Name N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code EB4 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2008-04-08 _Chem_comp.Modified_date 2009-05-08 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code EB4 _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 Enterobactin _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C30 H27 N3 O15' _Chem_comp.Formula_weight 669.554 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3CMP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:09:00 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 c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O SMILES 'OpenEye OEToolkits' 1.5.0 17577 EB4 c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17577 EB4 InChI=1/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1/f/h31-33H InChI InChI 1.02b 17577 EB4 Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O SMILES_CANONICAL CACTVS 3.341 17577 EB4 Oc1cccc(C(=O)N[CH]2COC(=O)[CH](COC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O SMILES CACTVS 3.341 17577 EB4 O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O SMILES ACDLabs 10.04 17577 EB4 SERBHKJMVBATSJ-UFRUXDEZDP InChIKey InChI 1.02b 17577 EB4 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxyphenyl)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17577 EB4 N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) 'SYSTEMATIC NAME' ACDLabs 10.04 17577 EB4 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 O6 . O6 . . O . . N 0 . . . . no no . . . . 30.100 . 75.161 . 64.056 . 3.664 -4.780 3.535 1 . 17577 EB4 O4 . O4 . . O . . N 0 . . . . no no . . . . 26.728 . 77.394 . 62.867 . -5.885 -0.658 3.769 2 . 17577 EB4 O5 . O5 . . O . . N 0 . . . . no no . . . . 26.452 . 75.737 . 65.629 . 2.529 5.436 3.577 3 . 17577 EB4 N1 . N1 . . N . . N 0 . . . . no no . . . . 29.185 . 81.559 . 64.787 . -2.549 1.052 -1.007 4 . 17577 EB4 C5 . C5 . . C . . N 0 . . . . yes no . . . . 25.683 . 76.442 . 66.506 . 2.387 4.234 2.956 5 . 17577 EB4 C4 . C4 . . C . . N 0 . . . . yes no . . . . 26.835 . 78.712 . 62.547 . -4.794 -0.158 3.129 6 . 17577 EB4 C1 . C1 . . C . . N 0 . . . . yes no . . . . 27.830 . 79.476 . 63.131 . -4.784 -0.064 1.740 7 . 17577 EB4 C2 . C2 . . C . . N 0 . . . . yes no . . . . 25.885 . 77.805 . 66.665 . 2.407 4.162 1.566 8 . 17577 EB4 C6 . C6 . . C . . N 0 . . . . yes no . . . . 31.022 . 75.479 . 65.007 . 2.659 -4.078 2.945 9 . 17577 EB4 C8 . C8 . . C . . N 0 . . . . yes no . . . . 24.693 . 75.794 . 67.240 . 2.228 3.081 3.707 10 . 17577 EB4 N2 . N2 . . N . . N 0 . . . . no no . . . . 26.488 . 80.476 . 68.149 . 2.140 1.635 -1.142 11 . 17577 EB4 C9 . C9 . . C . . N 0 . . . . yes no . . . . 32.293 . 74.914 . 64.964 . 1.784 -3.337 3.720 12 . 17577 EB4 C10 . C10 . . C . . N 0 . . . . yes no . . . . 26.070 . 80.636 . 61.320 . -2.580 0.773 3.213 13 . 17577 EB4 O3 . O3 . . O . . N 0 . . . . no no . . . . 29.449 . 76.918 . 66.052 . 3.374 -4.820 0.796 14 . 17577 EB4 N3 . N3 . . N . . N 0 . . . . no no . . . . 31.321 . 78.969 . 67.840 . 0.316 -2.690 -1.079 15 . 17577 EB4 C16 . C16 . . C . . N 0 . . . . yes no . . . . 27.950 . 80.825 . 62.822 . -3.658 0.451 1.088 16 . 17577 EB4 C7 . C7 . . C . . N 0 . . . . yes no . . . . 25.952 . 79.287 . 61.640 . -3.695 0.263 3.858 17 . 17577 EB4 C3 . C3 . . C . . N 0 . . . . yes no . . . . 30.697 . 76.368 . 66.020 . 2.515 -4.099 1.561 18 . 17577 EB4 C11 . C11 . . C . . N 0 . . . . yes no . . . . 23.909 . 76.514 . 68.134 . 2.083 1.854 3.082 19 . 17577 EB4 O1 . O1 . . O . . N 0 . . . . no no . . . . 28.680 . 78.884 . 64.018 . -5.862 -0.471 1.022 20 . 17577 EB4 O2 . O2 . . O . . N 0 . . . . no no . . . . 26.856 . 78.426 . 65.940 . 2.568 5.288 0.827 21 . 17577 EB4 C12 . C12 . . C . . N 0 . . . . yes no . . . . 33.233 . 75.242 . 65.938 . 0.758 -2.620 3.127 22 . 17577 EB4 C15 . C15 . . C . . N 0 . . . . yes no . . . . 32.904 . 76.135 . 66.956 . 0.599 -2.636 1.759 23 . 17577 EB4 C14 . C14 . . C . . N 0 . . . . yes no . . . . 24.112 . 77.882 . 68.292 . 2.096 1.767 1.707 24 . 17577 EB4 C13 . C13 . . C . . N 0 . . . . yes no . . . . 27.071 . 81.403 . 61.911 . -2.554 0.867 1.839 25 . 17577 EB4 O7 . O7 . . O . . N 0 . . . . no no . . . . 29.732 . 82.353 . 62.755 . -4.597 0.193 -1.033 26 . 17577 EB4 C19 . C19 . . C . . N 0 . . . . no no . . . . 29.034 . 81.644 . 63.462 . -3.635 0.555 -0.383 27 . 17577 EB4 C22 . C22 . . C . . S 0 . . . . no no . . . . 30.211 . 82.269 . 65.547 . -2.527 1.156 -2.469 28 . 17577 EB4 C25 . C25 . . C . . N 0 . . . . no no . . . . 31.293 . 81.300 . 65.960 . -2.086 -0.159 -3.059 29 . 17577 EB4 O10 . O10 . . O . . N 0 . . . . no no . . . . 31.542 . 80.337 . 65.248 . -2.070 -0.308 -4.257 30 . 17577 EB4 O15 . O15 . . O . . N 0 . . . . no no . . . . 32.092 . 81.466 . 67.178 . -1.712 -1.165 -2.252 31 . 17577 EB4 C30 . C30 . . C . . N 0 . . . . no no . . . . 31.683 . 81.259 . 68.544 . -1.304 -2.404 -2.889 32 . 17577 EB4 C24 . C24 . . C . . S 0 . . . . no no . . . . 30.919 . 79.960 . 68.835 . 0.154 -2.704 -2.535 33 . 17577 EB4 C21 . C21 . . C . . N 0 . . . . no no . . . . 31.243 . 77.659 . 68.077 . 1.315 -3.389 -0.505 34 . 17577 EB4 C18 . C18 . . C . . N 0 . . . . yes no . . . . 31.634 . 76.699 . 66.992 . 1.479 -3.374 0.961 35 . 17577 EB4 O9 . O9 . . O . . N 0 . . . . no no . . . . 30.846 . 77.208 . 69.141 . 2.082 -4.032 -1.196 36 . 17577 EB4 C27 . C27 . . C . . N 0 . . . . no no . . . . 29.415 . 80.118 . 68.786 . 1.046 -1.657 -3.150 37 . 17577 EB4 O12 . O12 . . O . . N 0 . . . . no no . . . . 28.792 . 79.505 . 67.935 . 1.110 -1.548 -4.352 38 . 17577 EB4 C28 . C28 . . C . . N 0 . . . . no no . . . . 29.575 . 82.856 . 66.800 . -1.550 2.256 -2.887 39 . 17577 EB4 O13 . O13 . . O . . N 0 . . . . no no . . . . 28.248 . 83.350 . 66.654 . -0.249 1.998 -2.297 40 . 17577 EB4 C26 . C26 . . C . . N 0 . . . . no no . . . . 27.100 . 82.498 . 66.940 . 0.778 1.819 -3.143 41 . 17577 EB4 O11 . O11 . . O . . N 0 . . . . no no . . . . 26.369 . 82.265 . 65.991 . 0.596 1.877 -4.336 42 . 17577 EB4 C23 . C23 . . C . . S 0 . . . . no no . . . . 26.767 . 81.906 . 68.302 . 2.159 1.546 -2.604 43 . 17577 EB4 C29 . C29 . . C . . N 0 . . . . no no . . . . 27.848 . 82.093 . 69.394 . 2.602 0.143 -3.024 44 . 17577 EB4 O14 . O14 . . O . . N 0 . . . . no no . . . . 28.658 . 80.945 . 69.728 . 1.769 -0.845 -2.363 45 . 17577 EB4 C20 . C20 . . C . . N 0 . . . . no no . . . . 25.312 . 80.005 . 67.726 . 2.281 2.831 -0.538 46 . 17577 EB4 O8 . O8 . . O . . N 0 . . . . no no . . . . 24.377 . 80.738 . 67.447 . 2.424 3.837 -1.206 47 . 17577 EB4 C17 . C17 . . C . . N 0 . . . . yes no . . . . 25.106 . 78.526 . 67.563 . 2.261 2.921 0.935 48 . 17577 EB4 HO6 . HO6 . . H . . N 0 . . . . no no . . . . 29.242 . 75.087 . 64.458 . 4.485 -4.280 3.639 49 . 17577 EB4 HO4 . HO4 . . H . . N 0 . . . . no no . . . . 26.703 . 76.876 . 62.071 . -5.858 -1.615 3.902 50 . 17577 EB4 HO5 . HO5 . . H . . N 0 . . . . no no . . . . 25.958 . 75.573 . 64.835 . 1.694 5.896 3.738 51 . 17577 EB4 HN1 . HN1 . . H . . N 0 . . . . no no . . . . 28.554 . 80.970 . 65.292 . -1.782 1.341 -0.489 52 . 17577 EB4 H8 . H8 . . H . . N 0 . . . . no no . . . . 24.534 . 74.733 . 67.115 . 2.217 3.140 4.785 53 . 17577 EB4 HN2 . HN2 . . H . . N 0 . . . . no no . . . . 27.211 . 79.822 . 68.372 . 2.025 0.833 -0.609 54 . 17577 EB4 H9 . H9 . . H . . N 0 . . . . no no . . . . 32.550 . 74.222 . 64.176 . 1.901 -3.319 4.794 55 . 17577 EB4 H10 . H10 . . H . . N 0 . . . . no no . . . . 25.387 . 81.087 . 60.615 . -1.728 1.099 3.790 56 . 17577 EB4 HO3 . HO3 . . H . . N 0 . . . . no no . . . . 29.182 . 77.046 . 66.955 . 3.093 -5.732 0.641 57 . 17577 EB4 HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.665 . 79.282 . 66.955 . -0.296 -2.177 -0.528 58 . 17577 EB4 H7 . H7 . . H . . N 0 . . . . no no . . . . 25.177 . 78.688 . 61.185 . -3.707 0.193 4.936 59 . 17577 EB4 H11 . H11 . . H . . N 0 . . . . no no . . . . 23.143 . 76.012 . 68.706 . 1.961 0.960 3.675 60 . 17577 EB4 HO1 . HO1 . . H . . N 0 . . . . no no . . . . 29.524 . 78.746 . 63.605 . -6.516 0.225 0.866 61 . 17577 EB4 HO2 . HO2 . . H . . N 0 . . . . no no . . . . 26.546 . 78.571 . 65.054 . 3.491 5.502 0.632 62 . 17577 EB4 H12 . H12 . . H . . N 0 . . . . no no . . . . 34.219 . 74.803 . 65.904 . 0.080 -2.045 3.740 63 . 17577 EB4 H15 . H15 . . H . . N 0 . . . . no no . . . . 33.632 . 76.388 . 67.713 . -0.203 -2.076 1.302 64 . 17577 EB4 H14 . H14 . . H . . N 0 . . . . no no . . . . 23.498 . 78.443 . 68.981 . 1.983 0.807 1.225 65 . 17577 EB4 H13 . H13 . . H . . N 0 . . . . no no . . . . 27.165 . 82.450 . 61.662 . -1.682 1.265 1.341 66 . 17577 EB4 H22 . H22 . . H . . N 0 . . . . no no . . . . 30.645 . 83.067 . 64.927 . -3.526 1.400 -2.831 67 . 17577 EB4 H30 . H30 . . H . . N 0 . . . . no no . . . . 32.595 . 81.246 . 69.159 . -1.938 -3.218 -2.538 68 . 17577 EB4 H30A . H30A . . H . . N 0 . . . . no no . . . . 30.981 . 82.075 . 68.771 . -1.403 -2.306 -3.970 69 . 17577 EB4 H24 . H24 . . H . . N 0 . . . . no no . . . . 31.170 . 79.651 . 69.860 . 0.427 -3.687 -2.921 70 . 17577 EB4 H28 . H28 . . H . . N 0 . . . . no no . . . . 29.547 . 82.059 . 67.558 . -1.461 2.269 -3.973 71 . 17577 EB4 H28A . H28A . . H . . N 0 . . . . no no . . . . 30.191 . 83.726 . 67.070 . -1.921 3.221 -2.542 72 . 17577 EB4 H23 . H23 . . H . . N 0 . . . . no no . . . . 25.891 . 82.468 . 68.656 . 2.857 2.283 -3.004 73 . 17577 EB4 H29 . H29 . . H . . N 0 . . . . no no . . . . 28.533 . 82.875 . 69.036 . 2.503 0.039 -4.104 74 . 17577 EB4 H29A . H29A . . H . . N 0 . . . . no no . . . . 27.290 . 82.328 . 70.313 . 3.643 -0.009 -2.739 75 . 17577 EB4 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 O6 C6 no N 1 . 17577 EB4 2 . SING O6 HO6 no N 2 . 17577 EB4 3 . SING O4 HO4 no N 3 . 17577 EB4 4 . SING O5 C5 no N 4 . 17577 EB4 5 . SING O5 HO5 no N 5 . 17577 EB4 6 . SING N1 C22 no N 6 . 17577 EB4 7 . SING N1 HN1 no N 7 . 17577 EB4 8 . DOUB C5 C2 yes N 8 . 17577 EB4 9 . SING C5 C8 yes N 9 . 17577 EB4 10 . SING C4 O4 no N 10 . 17577 EB4 11 . SING C4 C1 yes N 11 . 17577 EB4 12 . SING C1 O1 no N 12 . 17577 EB4 13 . SING C2 C17 yes N 13 . 17577 EB4 14 . SING C6 C3 yes N 14 . 17577 EB4 15 . DOUB C8 C11 yes N 15 . 17577 EB4 16 . SING C8 H8 no N 16 . 17577 EB4 17 . SING N2 C23 no N 17 . 17577 EB4 18 . SING N2 HN2 no N 18 . 17577 EB4 19 . DOUB C9 C6 yes N 19 . 17577 EB4 20 . SING C9 C12 yes N 20 . 17577 EB4 21 . SING C9 H9 no N 21 . 17577 EB4 22 . SING C10 C7 yes N 22 . 17577 EB4 23 . DOUB C10 C13 yes N 23 . 17577 EB4 24 . SING C10 H10 no N 24 . 17577 EB4 25 . SING O3 HO3 no N 25 . 17577 EB4 26 . SING N3 C21 no N 26 . 17577 EB4 27 . SING N3 C24 no N 27 . 17577 EB4 28 . SING N3 HN3 no N 28 . 17577 EB4 29 . DOUB C16 C1 yes N 29 . 17577 EB4 30 . SING C16 C19 no N 30 . 17577 EB4 31 . DOUB C7 C4 yes N 31 . 17577 EB4 32 . SING C7 H7 no N 32 . 17577 EB4 33 . SING C3 O3 no N 33 . 17577 EB4 34 . DOUB C3 C18 yes N 34 . 17577 EB4 35 . SING C11 C14 yes N 35 . 17577 EB4 36 . SING C11 H11 no N 36 . 17577 EB4 37 . SING O1 HO1 no N 37 . 17577 EB4 38 . SING O2 C2 no N 38 . 17577 EB4 39 . SING O2 HO2 no N 39 . 17577 EB4 40 . DOUB C12 C15 yes N 40 . 17577 EB4 41 . SING C12 H12 no N 41 . 17577 EB4 42 . SING C15 C18 yes N 42 . 17577 EB4 43 . SING C15 H15 no N 43 . 17577 EB4 44 . SING C14 H14 no N 44 . 17577 EB4 45 . SING C13 C16 yes N 45 . 17577 EB4 46 . SING C13 H13 no N 46 . 17577 EB4 47 . DOUB O7 C19 no N 47 . 17577 EB4 48 . SING C19 N1 no N 48 . 17577 EB4 49 . SING C22 C25 no N 49 . 17577 EB4 50 . SING C22 C28 no N 50 . 17577 EB4 51 . SING C22 H22 no N 51 . 17577 EB4 52 . SING C25 O15 no N 52 . 17577 EB4 53 . DOUB O10 C25 no N 53 . 17577 EB4 54 . SING O15 C30 no N 54 . 17577 EB4 55 . SING C30 C24 no N 55 . 17577 EB4 56 . SING C30 H30 no N 56 . 17577 EB4 57 . SING C30 H30A no N 57 . 17577 EB4 58 . SING C24 H24 no N 58 . 17577 EB4 59 . DOUB C21 O9 no N 59 . 17577 EB4 60 . SING C18 C21 no N 60 . 17577 EB4 61 . SING C27 C24 no N 61 . 17577 EB4 62 . SING C27 O14 no N 62 . 17577 EB4 63 . DOUB O12 C27 no N 63 . 17577 EB4 64 . SING C28 H28 no N 64 . 17577 EB4 65 . SING C28 H28A no N 65 . 17577 EB4 66 . SING O13 C28 no N 66 . 17577 EB4 67 . SING O13 C26 no N 67 . 17577 EB4 68 . SING C26 C23 no N 68 . 17577 EB4 69 . DOUB O11 C26 no N 69 . 17577 EB4 70 . SING C23 C29 no N 70 . 17577 EB4 71 . SING C23 H23 no N 71 . 17577 EB4 72 . SING C29 O14 no N 72 . 17577 EB4 73 . SING C29 H29 no N 73 . 17577 EB4 74 . SING C29 H29A no N 74 . 17577 EB4 75 . SING C20 N2 no N 75 . 17577 EB4 76 . DOUB O8 C20 no N 76 . 17577 EB4 77 . DOUB C17 C14 yes N 77 . 17577 EB4 78 . SING C17 C20 no N 78 . 17577 EB4 stop_ save_ save_chem_comp_GA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GA _Chem_comp.Entry_ID 17577 _Chem_comp.ID GA _Chem_comp.Provenance . _Chem_comp.Name 'GALLIUM (III) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _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 GA _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 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ga _Chem_comp.Formula_weight 69.723 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:15:08 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 CKHJYUSOUQDYEN-UHFFFAOYAV InChIKey InChI 1.02b 17577 GA [Ga+3] SMILES ACDLabs 10.04 17577 GA [Ga+3] SMILES CACTVS 3.341 17577 GA [Ga+3] SMILES 'OpenEye OEToolkits' 1.5.0 17577 GA [Ga+3] SMILES_CANONICAL CACTVS 3.341 17577 GA [Ga+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17577 GA InChI=1/Ga/q+3 InChI InChI 1.02b 17577 GA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID gallium 'SYSTEMATIC NAME' ACDLabs 10.04 17577 GA 'gallium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17577 GA 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 GA . GA . . GA . . N 3 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17577 GA stop_ save_ save_chem_comp_ACD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACD _Chem_comp.Entry_ID 17577 _Chem_comp.ID ACD _Chem_comp.Provenance . _Chem_comp.Name 'ARACHIDONIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ACD _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _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 ACD _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 no _Chem_comp.Formula 'C20 H32 O2' _Chem_comp.Formula_weight 304.472 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ADL _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 14 11:30:06 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 CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O SMILES_CANONICAL CACTVS 3.341 17577 ACD CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17577 ACD CCCCCC=CCC=CCC=CCC=CCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17577 ACD CCCCCC=CCC=CCC=CCC=CCCCC(O)=O SMILES CACTVS 3.341 17577 ACD InChI=1/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/f/h21H InChI InChI 1.02b 17577 ACD O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC SMILES ACDLabs 10.04 17577 ACD YZXBAPSDXZZRGB-FSPJQBAYDG InChIKey InChI 1.02b 17577 ACD stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17577 ACD '(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17577 ACD 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 C1 . C1 . . C . . N 0 . . . . no no . . . . -45.266 . 66.779 . -6.119 . 1.652 0.496 -7.475 1 . 17577 ACD C2 . C2 . . C . . N 0 . . . . no no . . . . -45.814 . 68.027 . -5.480 . 0.399 0.400 -6.643 2 . 17577 ACD C3 . C3 . . C . . N 0 . . . . no no . . . . -45.454 . 69.290 . -6.232 . 0.480 -0.830 -5.738 3 . 17577 ACD C4 . C4 . . C . . N 0 . . . . no no . . . . -46.345 . 70.439 . -5.798 . -0.791 -0.928 -4.894 4 . 17577 ACD C5 . C5 . . C . . N 0 . . . . no no . . . . -46.031 . 71.683 . -6.467 . -0.711 -2.140 -4.003 5 . 17577 ACD C6 . C6 . . C . . N 0 . . . . no no . . . . -47.001 . 72.342 . -7.213 . -0.907 -2.019 -2.713 6 . 17577 ACD C7 . C7 . . C . . N 0 . . . . no no . . . . -48.343 . 71.800 . -7.335 . -1.375 -0.706 -2.142 7 . 17577 ACD C8 . C8 . . C . . N 0 . . . . no no . . . . -49.375 . 72.798 . -7.134 . -2.594 -0.935 -1.287 8 . 17577 ACD C9 . C9 . . C . . N 0 . . . . no no . . . . -50.505 . 72.826 . -7.944 . -2.621 -0.496 -0.053 9 . 17577 ACD C10 . C10 . . C . . N 0 . . . . no no . . . . -50.689 . 71.859 . -9.016 . -1.477 0.329 0.477 10 . 17577 ACD C11 . C11 . . C . . N 0 . . . . no no . . . . -51.868 . 72.130 . -9.822 . -2.012 1.613 1.057 11 . 17577 ACD C12 . C12 . . C . . N 0 . . . . no no . . . . -52.103 . 71.452 . -11.018 . -1.683 1.969 2.274 12 . 17577 ACD C13 . C13 . . C . . N 0 . . . . no no . . . . -51.180 . 70.444 . -11.509 . -0.644 1.185 3.034 13 . 17577 ACD C14 . C14 . . C . . N 0 . . . . no no . . . . -51.811 . 69.486 . -12.407 . 0.417 2.123 3.546 14 . 17577 ACD C15 . C15 . . C . . N 0 . . . . no no . . . . -51.246 . 68.229 . -12.623 . 0.745 2.110 4.814 15 . 17577 ACD C16 . C16 . . C . . N 0 . . . . no no . . . . -50.013 . 67.849 . -11.960 . 0.186 1.049 5.727 16 . 17577 ACD C17 . C17 . . C . . N 0 . . . . no no . . . . -50.237 . 67.230 . -10.585 . 1.332 0.359 6.469 17 . 17577 ACD C18 . C18 . . C . . N 0 . . . . no no . . . . -48.916 . 66.936 . -9.897 . 0.765 -0.717 7.395 18 . 17577 ACD C19 . C19 . . C . . N 0 . . . . no no . . . . -48.122 . 68.209 . -9.648 . 1.911 -1.408 8.137 19 . 17577 ACD C20 . C20 . . C . . N 0 . . . . no no . . . . -46.720 . 67.886 . -9.195 . 1.343 -2.485 9.063 20 . 17577 ACD O1 . O1 . . O . . N 0 . . . . no no . . . . -44.087 . 66.764 . -6.549 . 2.521 -0.334 -7.356 21 . 17577 ACD O2 . O2 . . O . . N 0 . . . . no no . . . . -46.024 . 65.787 . -6.208 . 1.803 1.504 -8.348 22 . 17577 ACD H21 . H21 . . H . . N 0 . . . . no no . . . . -46.917 . 67.949 . -5.340 . -0.466 0.311 -7.300 23 . 17577 ACD H22 . H22 . . H . . N 0 . . . . no no . . . . -45.498 . 68.097 . -4.412 . 0.300 1.295 -6.030 24 . 17577 ACD H31 . H31 . . H . . N 0 . . . . no no . . . . -44.372 . 69.541 . -6.126 . 1.346 -0.742 -5.082 25 . 17577 ACD H32 . H32 . . H . . N 0 . . . . no no . . . . -45.482 . 69.137 . -7.336 . 0.579 -1.726 -6.351 26 . 17577 ACD H41 . H41 . . H . . N 0 . . . . no no . . . . -47.421 . 70.178 . -5.927 . -1.657 -1.016 -5.551 27 . 17577 ACD H42 . H42 . . H . . N 0 . . . . no no . . . . -46.319 . 70.565 . -4.690 . -0.890 -0.032 -4.281 28 . 17577 ACD H5 . H5 . . H . . N 0 . . . . no no . . . . -45.028 . 72.139 . -6.406 . -0.492 -3.109 -4.427 29 . 17577 ACD H6 . H6 . . H . . N 0 . . . . no no . . . . -46.708 . 73.285 . -7.703 . -0.734 -2.861 -2.059 30 . 17577 ACD H71 . H71 . . H . . N 0 . . . . no no . . . . -48.475 . 71.280 . -8.312 . -1.626 -0.024 -2.956 31 . 17577 ACD H72 . H72 . . H . . N 0 . . . . no no . . . . -48.487 . 70.933 . -6.648 . -0.582 -0.270 -1.535 32 . 17577 ACD H8 . H8 . . H . . N 0 . . . . no no . . . . -49.298 . 73.559 . -6.340 . -3.446 -1.463 -1.690 33 . 17577 ACD H9 . H9 . . H . . N 0 . . . . no no . . . . -51.251 . 73.611 . -7.737 . -3.463 -0.725 0.583 34 . 17577 ACD H101 . H101 . . H . . N 0 . . . . no no . . . . -49.776 . 71.790 . -9.653 . -0.787 0.557 -0.334 35 . 17577 ACD H102 . H102 . . H . . N 0 . . . . no no . . . . -50.708 . 70.818 . -8.616 . -0.955 -0.229 1.252 36 . 17577 ACD H11 . H11 . . H . . N 0 . . . . no no . . . . -52.614 . 72.880 . -9.513 . -2.665 2.241 0.469 37 . 17577 ACD H12 . H12 . . H . . N 0 . . . . no no . . . . -53.018 . 71.712 . -11.575 . -2.157 2.824 2.734 38 . 17577 ACD H131 . H131 . . H . . N 0 . . . . no no . . . . -50.292 . 70.917 . -11.990 . -0.189 0.448 2.371 39 . 17577 ACD H132 . H132 . . H . . N 0 . . . . no no . . . . -50.672 . 69.923 . -10.663 . -1.116 0.676 3.874 40 . 17577 ACD H14 . H14 . . H . . N 0 . . . . no no . . . . -52.747 . 69.720 . -12.940 . 0.907 2.806 2.868 41 . 17577 ACD H15 . H15 . . H . . N 0 . . . . no no . . . . -51.768 . 67.542 . -13.310 . 1.417 2.860 5.206 42 . 17577 ACD H161 . H161 . . H . . N 0 . . . . no no . . . . -49.407 . 67.171 . -12.606 . -0.359 0.314 5.137 43 . 17577 ACD H162 . H162 . . H . . N 0 . . . . no no . . . . -49.313 . 68.715 . -11.896 . -0.488 1.510 6.449 44 . 17577 ACD H171 . H171 . . H . . N 0 . . . . no no . . . . -50.897 . 67.866 . -9.950 . 1.879 1.094 7.059 45 . 17577 ACD H172 . H172 . . H . . N 0 . . . . no no . . . . -50.880 . 66.321 . -10.643 . 2.007 -0.101 5.747 46 . 17577 ACD H181 . H181 . . H . . N 0 . . . . no no . . . . -49.066 . 66.358 . -8.955 . 0.218 -1.453 6.805 47 . 17577 ACD H182 . H182 . . H . . N 0 . . . . no no . . . . -48.317 . 66.186 . -10.465 . 0.090 -0.257 8.117 48 . 17577 ACD H191 . H191 . . H . . N 0 . . . . no no . . . . -48.123 . 68.877 . -10.540 . 2.457 -0.672 8.727 49 . 17577 ACD H192 . H192 . . H . . N 0 . . . . no no . . . . -48.641 . 68.885 . -8.930 . 2.585 -1.868 7.415 50 . 17577 ACD H201 . H201 . . H . . N 0 . . . . no no . . . . -46.137 . 68.819 . -9.012 . 2.160 -2.977 9.592 51 . 17577 ACD H202 . H202 . . H . . N 0 . . . . no no . . . . -46.718 . 67.217 . -8.302 . 0.668 -2.025 9.785 52 . 17577 ACD H203 . H203 . . H . . N 0 . . . . no no . . . . -46.200 . 67.209 . -9.912 . 0.797 -3.221 8.473 53 . 17577 ACD HO2 . HO2 . . H . . N 0 . . . . no no . . . . -45.678 . 64.999 . -6.611 . 2.607 1.566 -8.881 54 . 17577 ACD 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 C1 C2 no N 1 . 17577 ACD 2 . DOUB C1 O1 no N 2 . 17577 ACD 3 . SING C1 O2 no N 3 . 17577 ACD 4 . SING C2 C3 no N 4 . 17577 ACD 5 . SING C2 H21 no N 5 . 17577 ACD 6 . SING C2 H22 no N 6 . 17577 ACD 7 . SING C3 C4 no N 7 . 17577 ACD 8 . SING C3 H31 no N 8 . 17577 ACD 9 . SING C3 H32 no N 9 . 17577 ACD 10 . SING C4 C5 no N 10 . 17577 ACD 11 . SING C4 H41 no N 11 . 17577 ACD 12 . SING C4 H42 no N 12 . 17577 ACD 13 . DOUB C5 C6 no Z 13 . 17577 ACD 14 . SING C5 H5 no N 14 . 17577 ACD 15 . SING C6 C7 no N 15 . 17577 ACD 16 . SING C6 H6 no N 16 . 17577 ACD 17 . SING C7 C8 no N 17 . 17577 ACD 18 . SING C7 H71 no N 18 . 17577 ACD 19 . SING C7 H72 no N 19 . 17577 ACD 20 . DOUB C8 C9 no Z 20 . 17577 ACD 21 . SING C8 H8 no N 21 . 17577 ACD 22 . SING C9 C10 no N 22 . 17577 ACD 23 . SING C9 H9 no N 23 . 17577 ACD 24 . SING C10 C11 no N 24 . 17577 ACD 25 . SING C10 H101 no N 25 . 17577 ACD 26 . SING C10 H102 no N 26 . 17577 ACD 27 . DOUB C11 C12 no Z 27 . 17577 ACD 28 . SING C11 H11 no N 28 . 17577 ACD 29 . SING C12 C13 no N 29 . 17577 ACD 30 . SING C12 H12 no N 30 . 17577 ACD 31 . SING C13 C14 no N 31 . 17577 ACD 32 . SING C13 H131 no N 32 . 17577 ACD 33 . SING C13 H132 no N 33 . 17577 ACD 34 . DOUB C14 C15 no Z 34 . 17577 ACD 35 . SING C14 H14 no N 35 . 17577 ACD 36 . SING C15 C16 no N 36 . 17577 ACD 37 . SING C15 H15 no N 37 . 17577 ACD 38 . SING C16 C17 no N 38 . 17577 ACD 39 . SING C16 H161 no N 39 . 17577 ACD 40 . SING C16 H162 no N 40 . 17577 ACD 41 . SING C17 C18 no N 41 . 17577 ACD 42 . SING C17 H171 no N 42 . 17577 ACD 43 . SING C17 H172 no N 43 . 17577 ACD 44 . SING C18 C19 no N 44 . 17577 ACD 45 . SING C18 H181 no N 45 . 17577 ACD 46 . SING C18 H182 no N 46 . 17577 ACD 47 . SING C19 C20 no N 47 . 17577 ACD 48 . SING C19 H191 no N 48 . 17577 ACD 49 . SING C19 H192 no N 49 . 17577 ACD 50 . SING C20 H201 no N 50 . 17577 ACD 51 . SING C20 H202 no N 51 . 17577 ACD 52 . SING C20 H203 no N 52 . 17577 ACD 53 . SING O2 HO2 no N 53 . 17577 ACD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17577 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Q83 '[U-100% 13C; U-100% 15N]' . . 1 $Q83 . . 1 . . mM . . . . 17577 1 2 EB4 'natural abundance' . . 2 $EB4 . . 1 . . mM . . . . 17577 1 3 Gallium(III) 'natural abundance' . . 3 $GA . . 1 . . mM . . . . 17577 1 4 'ARACHIDONIC ACID' 'natural abundance' . . 4 $ACD . . 1 . . mM . . . . 17577 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17577 1 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 17577 _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' 50 . mM 17577 1 pH 6.5 . pH 17577 1 pressure 1 . atm 17577 1 temperature 273 . K 17577 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17577 _Software.ID 1 _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' . . 17577 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17577 1 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 17577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17577 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17577 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 17577 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17577 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 17577 _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 TMP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17577 1 H 1 TMP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17577 1 N 15 TMP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17577 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 17577 _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 1 '2D 1H-15N HSQC' . . . 17577 1 2 '3D HNCO' . . . 17577 1 5 '3D HNCACB' . . . 17577 1 11 '3D 1H-13C NOESY aromatic' . . . 17577 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 4 4 PRO C C 13 175.8 0.3 . 1 . . . A 4 PRO C . 17577 1 2 . 1 1 4 4 PRO CA C 13 64.3 0.3 . 1 . . . A 4 PRO CA . 17577 1 3 . 1 1 4 4 PRO CB C 13 33.0 0.3 . 1 . . . A 4 PRO CB . 17577 1 4 . 1 1 5 5 ASP H H 1 8.09 0.02 . 1 . . . A 5 ASP H . 17577 1 5 . 1 1 5 5 ASP HA H 1 4.51 0.02 . 1 . . . A 5 ASP HA . 17577 1 6 . 1 1 5 5 ASP C C 13 177.1 0.3 . 1 . . . A 5 ASP C . 17577 1 7 . 1 1 5 5 ASP CA C 13 54.8 0.3 . 1 . . . A 5 ASP CA . 17577 1 8 . 1 1 5 5 ASP CB C 13 42.4 0.3 . 1 . . . A 5 ASP CB . 17577 1 9 . 1 1 5 5 ASP N N 15 119.4 0.3 . 1 . . . A 5 ASP N . 17577 1 10 . 1 1 6 6 ARG H H 1 8.59 0.02 . 1 . . . A 6 ARG H . 17577 1 11 . 1 1 6 6 ARG C C 13 177.3 0.3 . 1 . . . A 6 ARG C . 17577 1 12 . 1 1 6 6 ARG CA C 13 59.0 0.3 . 1 . . . A 6 ARG CA . 17577 1 13 . 1 1 6 6 ARG CB C 13 30.5 0.3 . 1 . . . A 6 ARG CB . 17577 1 14 . 1 1 6 6 ARG N N 15 124.8 0.3 . 1 . . . A 6 ARG N . 17577 1 15 . 1 1 7 7 SER H H 1 8.24 0.02 . 1 . . . A 7 SER H . 17577 1 16 . 1 1 7 7 SER CA C 13 62.4 0.3 . 1 . . . A 7 SER CA . 17577 1 17 . 1 1 7 7 SER CB C 13 63.8 0.3 . 1 . . . A 7 SER CB . 17577 1 18 . 1 1 7 7 SER N N 15 113.8 0.3 . 1 . . . A 7 SER N . 17577 1 19 . 1 1 8 8 GLU H H 1 8.03 0.02 . 1 . . . A 8 GLU H . 17577 1 20 . 1 1 8 8 GLU HA H 1 4.33 0.02 . 1 . . . A 8 GLU HA . 17577 1 21 . 1 1 8 8 GLU C C 13 177.1 0.3 . 1 . . . A 8 GLU C . 17577 1 22 . 1 1 8 8 GLU CA C 13 58.7 0.3 . 1 . . . A 8 GLU CA . 17577 1 23 . 1 1 8 8 GLU CB C 13 30.9 0.3 . 1 . . . A 8 GLU CB . 17577 1 24 . 1 1 8 8 GLU CG C 13 37.8 0.3 . 1 . . . A 8 GLU CG . 17577 1 25 . 1 1 8 8 GLU N N 15 120.2 0.3 . 1 . . . A 8 GLU N . 17577 1 26 . 1 1 9 9 ILE H H 1 7.53 0.02 . 1 . . . A 9 ILE H . 17577 1 27 . 1 1 9 9 ILE HA H 1 4.35 0.02 . 1 . . . A 9 ILE HA . 17577 1 28 . 1 1 9 9 ILE HB H 1 2.10 0.02 . 1 . . . A 9 ILE HB . 17577 1 29 . 1 1 9 9 ILE HG12 H 1 1.53 0.02 . 2 . . . A 9 ILE HG12 . 17577 1 30 . 1 1 9 9 ILE HG13 H 1 1.44 0.02 . 2 . . . A 9 ILE HG13 . 17577 1 31 . 1 1 9 9 ILE HG21 H 1 0.96 0.02 . 1 . . . A 9 ILE HG21 . 17577 1 32 . 1 1 9 9 ILE HG22 H 1 0.96 0.02 . 1 . . . A 9 ILE HG22 . 17577 1 33 . 1 1 9 9 ILE HG23 H 1 0.96 0.02 . 1 . . . A 9 ILE HG23 . 17577 1 34 . 1 1 9 9 ILE HD11 H 1 0.74 0.02 . 1 . . . A 9 ILE HD11 . 17577 1 35 . 1 1 9 9 ILE HD12 H 1 0.74 0.02 . 1 . . . A 9 ILE HD12 . 17577 1 36 . 1 1 9 9 ILE HD13 H 1 0.74 0.02 . 1 . . . A 9 ILE HD13 . 17577 1 37 . 1 1 9 9 ILE C C 13 175.0 0.3 . 1 . . . A 9 ILE C . 17577 1 38 . 1 1 9 9 ILE CA C 13 63.4 0.3 . 1 . . . A 9 ILE CA . 17577 1 39 . 1 1 9 9 ILE CB C 13 40.0 0.3 . 1 . . . A 9 ILE CB . 17577 1 40 . 1 1 9 9 ILE CG1 C 13 27.9 0.3 . 1 . . . A 9 ILE CG1 . 17577 1 41 . 1 1 9 9 ILE CG2 C 13 19.7 0.3 . 1 . . . A 9 ILE CG2 . 17577 1 42 . 1 1 9 9 ILE CD1 C 13 15.7 0.3 . 1 . . . A 9 ILE CD1 . 17577 1 43 . 1 1 9 9 ILE N N 15 112.8 0.3 . 1 . . . A 9 ILE N . 17577 1 44 . 1 1 10 10 ALA H H 1 7.41 0.02 . 1 . . . A 10 ALA H . 17577 1 45 . 1 1 10 10 ALA HA H 1 4.07 0.02 . 1 . . . A 10 ALA HA . 17577 1 46 . 1 1 10 10 ALA HB1 H 1 1.64 0.02 . 1 . . . A 10 ALA HB1 . 17577 1 47 . 1 1 10 10 ALA HB2 H 1 1.64 0.02 . 1 . . . A 10 ALA HB2 . 17577 1 48 . 1 1 10 10 ALA HB3 H 1 1.64 0.02 . 1 . . . A 10 ALA HB3 . 17577 1 49 . 1 1 10 10 ALA C C 13 177.5 0.3 . 1 . . . A 10 ALA C . 17577 1 50 . 1 1 10 10 ALA CA C 13 54.0 0.3 . 1 . . . A 10 ALA CA . 17577 1 51 . 1 1 10 10 ALA CB C 13 20.4 0.3 . 1 . . . A 10 ALA CB . 17577 1 52 . 1 1 10 10 ALA N N 15 120.4 0.3 . 1 . . . A 10 ALA N . 17577 1 53 . 1 1 11 11 GLY H H 1 8.78 0.02 . 1 . . . A 11 GLY H . 17577 1 54 . 1 1 11 11 GLY HA2 H 1 4.67 0.02 . 2 . . . A 11 GLY HA2 . 17577 1 55 . 1 1 11 11 GLY HA3 H 1 3.70 0.02 . 2 . . . A 11 GLY HA3 . 17577 1 56 . 1 1 11 11 GLY C C 13 173.7 0.3 . 1 . . . A 11 GLY C . 17577 1 57 . 1 1 11 11 GLY CA C 13 45.3 0.3 . 1 . . . A 11 GLY CA . 17577 1 58 . 1 1 11 11 GLY N N 15 108.3 0.3 . 1 . . . A 11 GLY N . 17577 1 59 . 1 1 12 12 LYS H H 1 8.74 0.02 . 1 . . . A 12 LYS H . 17577 1 60 . 1 1 12 12 LYS HA H 1 4.83 0.02 . 1 . . . A 12 LYS HA . 17577 1 61 . 1 1 12 12 LYS HB2 H 1 1.58 0.02 . 2 . . . A 12 LYS HB2 . 17577 1 62 . 1 1 12 12 LYS HB3 H 1 1.47 0.02 . 2 . . . A 12 LYS HB3 . 17577 1 63 . 1 1 12 12 LYS C C 13 175.9 0.3 . 1 . . . A 12 LYS C . 17577 1 64 . 1 1 12 12 LYS CA C 13 58.3 0.3 . 1 . . . A 12 LYS CA . 17577 1 65 . 1 1 12 12 LYS CB C 13 35.0 0.3 . 1 . . . A 12 LYS CB . 17577 1 66 . 1 1 12 12 LYS CG C 13 26.1 0.3 . 1 . . . A 12 LYS CG . 17577 1 67 . 1 1 12 12 LYS CD C 13 30.5 0.3 . 1 . . . A 12 LYS CD . 17577 1 68 . 1 1 12 12 LYS CE C 13 42.7 0.3 . 1 . . . A 12 LYS CE . 17577 1 69 . 1 1 12 12 LYS N N 15 122.3 0.3 . 1 . . . A 12 LYS N . 17577 1 70 . 1 1 13 13 TRP H H 1 9.44 0.02 . 1 . . . A 13 TRP H . 17577 1 71 . 1 1 13 13 TRP HA H 1 4.63 0.02 . 1 . . . A 13 TRP HA . 17577 1 72 . 1 1 13 13 TRP HB2 H 1 3.35 0.02 . 2 . . . A 13 TRP HB2 . 17577 1 73 . 1 1 13 13 TRP HB3 H 1 2.76 0.02 . 2 . . . A 13 TRP HB3 . 17577 1 74 . 1 1 13 13 TRP HD1 H 1 7.12 0.02 . 1 . . . A 13 TRP HD1 . 17577 1 75 . 1 1 13 13 TRP HE1 H 1 10.52 0.02 . 1 . . . A 13 TRP HE1 . 17577 1 76 . 1 1 13 13 TRP HZ2 H 1 7.17 0.02 . 1 . . . A 13 TRP HZ2 . 17577 1 77 . 1 1 13 13 TRP HH2 H 1 6.51 0.02 . 1 . . . A 13 TRP HH2 . 17577 1 78 . 1 1 13 13 TRP C C 13 173.3 0.3 . 1 . . . A 13 TRP C . 17577 1 79 . 1 1 13 13 TRP CA C 13 57.7 0.3 . 1 . . . A 13 TRP CA . 17577 1 80 . 1 1 13 13 TRP CB C 13 35.4 0.3 . 1 . . . A 13 TRP CB . 17577 1 81 . 1 1 13 13 TRP CD1 C 13 127.4 0.3 . 1 . . . A 13 TRP CD1 . 17577 1 82 . 1 1 13 13 TRP CZ2 C 13 114.5 0.3 . 1 . . . A 13 TRP CZ2 . 17577 1 83 . 1 1 13 13 TRP CH2 C 13 122.5 0.3 . 1 . . . A 13 TRP CH2 . 17577 1 84 . 1 1 13 13 TRP N N 15 126.0 0.3 . 1 . . . A 13 TRP N . 17577 1 85 . 1 1 13 13 TRP NE1 N 15 131.3 0.3 . 1 . . . A 13 TRP NE1 . 17577 1 86 . 1 1 14 14 TYR H H 1 9.37 0.02 . 1 . . . A 14 TYR H . 17577 1 87 . 1 1 14 14 TYR HA H 1 5.05 0.02 . 1 . . . A 14 TYR HA . 17577 1 88 . 1 1 14 14 TYR HB2 H 1 2.95 0.02 . 2 . . . A 14 TYR HB2 . 17577 1 89 . 1 1 14 14 TYR HB3 H 1 2.81 0.02 . 2 . . . A 14 TYR HB3 . 17577 1 90 . 1 1 14 14 TYR C C 13 175.4 0.3 . 1 . . . A 14 TYR C . 17577 1 91 . 1 1 14 14 TYR CA C 13 58.8 0.3 . 1 . . . A 14 TYR CA . 17577 1 92 . 1 1 14 14 TYR CB C 13 41.5 0.3 . 1 . . . A 14 TYR CB . 17577 1 93 . 1 1 14 14 TYR CD2 C 13 133.5 0.3 . 1 . . . A 14 TYR CD2 . 17577 1 94 . 1 1 14 14 TYR CE2 C 13 117.8 0.3 . 1 . . . A 14 TYR CE2 . 17577 1 95 . 1 1 14 14 TYR N N 15 118.3 0.3 . 1 . . . A 14 TYR N . 17577 1 96 . 1 1 15 15 VAL H H 1 9.00 0.02 . 1 . . . A 15 VAL H . 17577 1 97 . 1 1 15 15 VAL HA H 1 4.04 0.02 . 1 . . . A 15 VAL HA . 17577 1 98 . 1 1 15 15 VAL HB H 1 1.97 0.02 . 1 . . . A 15 VAL HB . 17577 1 99 . 1 1 15 15 VAL HG11 H 1 0.57 0.02 . 1 . . . A 15 VAL HG11 . 17577 1 100 . 1 1 15 15 VAL HG12 H 1 0.57 0.02 . 1 . . . A 15 VAL HG12 . 17577 1 101 . 1 1 15 15 VAL HG13 H 1 0.57 0.02 . 1 . . . A 15 VAL HG13 . 17577 1 102 . 1 1 15 15 VAL HG21 H 1 0.56 0.02 . 1 . . . A 15 VAL HG21 . 17577 1 103 . 1 1 15 15 VAL HG22 H 1 0.56 0.02 . 1 . . . A 15 VAL HG22 . 17577 1 104 . 1 1 15 15 VAL HG23 H 1 0.56 0.02 . 1 . . . A 15 VAL HG23 . 17577 1 105 . 1 1 15 15 VAL C C 13 175.5 0.3 . 1 . . . A 15 VAL C . 17577 1 106 . 1 1 15 15 VAL CA C 13 62.7 0.3 . 1 . . . A 15 VAL CA . 17577 1 107 . 1 1 15 15 VAL CB C 13 32.4 0.3 . 1 . . . A 15 VAL CB . 17577 1 108 . 1 1 15 15 VAL CG1 C 13 22.4 0.3 . 1 . . . A 15 VAL CG1 . 17577 1 109 . 1 1 15 15 VAL CG2 C 13 23.2 0.3 . 1 . . . A 15 VAL CG2 . 17577 1 110 . 1 1 15 15 VAL N N 15 124.2 0.3 . 1 . . . A 15 VAL N . 17577 1 111 . 1 1 16 16 VAL H H 1 8.42 0.02 . 1 . . . A 16 VAL H . 17577 1 112 . 1 1 16 16 VAL HA H 1 4.65 0.02 . 1 . . . A 16 VAL HA . 17577 1 113 . 1 1 16 16 VAL HB H 1 2.44 0.02 . 1 . . . A 16 VAL HB . 17577 1 114 . 1 1 16 16 VAL HG11 H 1 1.04 0.02 . 1 . . . A 16 VAL HG11 . 17577 1 115 . 1 1 16 16 VAL HG12 H 1 1.04 0.02 . 1 . . . A 16 VAL HG12 . 17577 1 116 . 1 1 16 16 VAL HG13 H 1 1.04 0.02 . 1 . . . A 16 VAL HG13 . 17577 1 117 . 1 1 16 16 VAL HG21 H 1 0.70 0.02 . 1 . . . A 16 VAL HG21 . 17577 1 118 . 1 1 16 16 VAL HG22 H 1 0.70 0.02 . 1 . . . A 16 VAL HG22 . 17577 1 119 . 1 1 16 16 VAL HG23 H 1 0.70 0.02 . 1 . . . A 16 VAL HG23 . 17577 1 120 . 1 1 16 16 VAL C C 13 175.9 0.3 . 1 . . . A 16 VAL C . 17577 1 121 . 1 1 16 16 VAL CA C 13 62.2 0.3 . 1 . . . A 16 VAL CA . 17577 1 122 . 1 1 16 16 VAL CB C 13 33.6 0.3 . 1 . . . A 16 VAL CB . 17577 1 123 . 1 1 16 16 VAL CG1 C 13 23.5 0.3 . 1 . . . A 16 VAL CG1 . 17577 1 124 . 1 1 16 16 VAL CG2 C 13 19.8 0.3 . 1 . . . A 16 VAL CG2 . 17577 1 125 . 1 1 16 16 VAL N N 15 114.6 0.3 . 1 . . . A 16 VAL N . 17577 1 126 . 1 1 17 17 ALA H H 1 7.59 0.02 . 1 . . . A 17 ALA H . 17577 1 127 . 1 1 17 17 ALA HA H 1 5.27 0.02 . 1 . . . A 17 ALA HA . 17577 1 128 . 1 1 17 17 ALA HB1 H 1 0.96 0.02 . 1 . . . A 17 ALA HB1 . 17577 1 129 . 1 1 17 17 ALA HB2 H 1 0.96 0.02 . 1 . . . A 17 ALA HB2 . 17577 1 130 . 1 1 17 17 ALA HB3 H 1 0.96 0.02 . 1 . . . A 17 ALA HB3 . 17577 1 131 . 1 1 17 17 ALA C C 13 174.2 0.3 . 1 . . . A 17 ALA C . 17577 1 132 . 1 1 17 17 ALA CA C 13 53.1 0.3 . 1 . . . A 17 ALA CA . 17577 1 133 . 1 1 17 17 ALA CB C 13 24.1 0.3 . 1 . . . A 17 ALA CB . 17577 1 134 . 1 1 17 17 ALA N N 15 122.9 0.3 . 1 . . . A 17 ALA N . 17577 1 135 . 1 1 18 18 LEU H H 1 8.57 0.02 . 1 . . . A 18 LEU H . 17577 1 136 . 1 1 18 18 LEU HA H 1 5.44 0.02 . 1 . . . A 18 LEU HA . 17577 1 137 . 1 1 18 18 LEU HB2 H 1 1.77 0.02 . 2 . . . A 18 LEU HB2 . 17577 1 138 . 1 1 18 18 LEU HB3 H 1 1.60 0.02 . 2 . . . A 18 LEU HB3 . 17577 1 139 . 1 1 18 18 LEU HG H 1 1.57 0.02 . 1 . . . A 18 LEU HG . 17577 1 140 . 1 1 18 18 LEU HD21 H 1 0.82 0.02 . 1 . . . A 18 LEU HD21 . 17577 1 141 . 1 1 18 18 LEU HD22 H 1 0.82 0.02 . 1 . . . A 18 LEU HD22 . 17577 1 142 . 1 1 18 18 LEU HD23 H 1 0.82 0.02 . 1 . . . A 18 LEU HD23 . 17577 1 143 . 1 1 18 18 LEU C C 13 176.1 0.3 . 1 . . . A 18 LEU C . 17577 1 144 . 1 1 18 18 LEU CA C 13 54.0 0.3 . 1 . . . A 18 LEU CA . 17577 1 145 . 1 1 18 18 LEU CB C 13 49.8 0.3 . 1 . . . A 18 LEU CB . 17577 1 146 . 1 1 18 18 LEU CG C 13 28.3 0.3 . 1 . . . A 18 LEU CG . 17577 1 147 . 1 1 18 18 LEU CD1 C 13 28.4 0.3 . 1 . . . A 18 LEU CD1 . 17577 1 148 . 1 1 18 18 LEU CD2 C 13 24.2 0.3 . 1 . . . A 18 LEU CD2 . 17577 1 149 . 1 1 18 18 LEU N N 15 118.0 0.3 . 1 . . . A 18 LEU N . 17577 1 150 . 1 1 19 19 ALA H H 1 8.36 0.02 . 1 . . . A 19 ALA H . 17577 1 151 . 1 1 19 19 ALA HA H 1 5.43 0.02 . 1 . . . A 19 ALA HA . 17577 1 152 . 1 1 19 19 ALA HB1 H 1 0.75 0.02 . 1 . . . A 19 ALA HB1 . 17577 1 153 . 1 1 19 19 ALA HB2 H 1 0.75 0.02 . 1 . . . A 19 ALA HB2 . 17577 1 154 . 1 1 19 19 ALA HB3 H 1 0.75 0.02 . 1 . . . A 19 ALA HB3 . 17577 1 155 . 1 1 19 19 ALA C C 13 174.4 0.3 . 1 . . . A 19 ALA C . 17577 1 156 . 1 1 19 19 ALA CA C 13 52.7 0.3 . 1 . . . A 19 ALA CA . 17577 1 157 . 1 1 19 19 ALA CB C 13 23.1 0.3 . 1 . . . A 19 ALA CB . 17577 1 158 . 1 1 19 19 ALA N N 15 120.3 0.3 . 1 . . . A 19 ALA N . 17577 1 159 . 1 1 20 20 SER H H 1 7.45 0.02 . 1 . . . A 20 SER H . 17577 1 160 . 1 1 20 20 SER HA H 1 3.89 0.02 . 1 . . . A 20 SER HA . 17577 1 161 . 1 1 20 20 SER C C 13 170.7 0.3 . 1 . . . A 20 SER C . 17577 1 162 . 1 1 20 20 SER CA C 13 57.2 0.3 . 1 . . . A 20 SER CA . 17577 1 163 . 1 1 20 20 SER CB C 13 64.2 0.3 . 1 . . . A 20 SER CB . 17577 1 164 . 1 1 20 20 SER N N 15 114.2 0.3 . 1 . . . A 20 SER N . 17577 1 165 . 1 1 21 21 ASN H H 1 7.98 0.02 . 1 . . . A 21 ASN H . 17577 1 166 . 1 1 21 21 ASN HA H 1 5.22 0.02 . 1 . . . A 21 ASN HA . 17577 1 167 . 1 1 21 21 ASN HB2 H 1 3.49 0.02 . 2 . . . A 21 ASN HB2 . 17577 1 168 . 1 1 21 21 ASN HB3 H 1 3.21 0.02 . 2 . . . A 21 ASN HB3 . 17577 1 169 . 1 1 21 21 ASN HD21 H 1 7.65 0.02 . 1 . . . A 21 ASN HD21 . 17577 1 170 . 1 1 21 21 ASN HD22 H 1 7.01 0.02 . 1 . . . A 21 ASN HD22 . 17577 1 171 . 1 1 21 21 ASN C C 13 176.5 0.3 . 1 . . . A 21 ASN C . 17577 1 172 . 1 1 21 21 ASN CA C 13 52.5 0.3 . 1 . . . A 21 ASN CA . 17577 1 173 . 1 1 21 21 ASN CB C 13 40.3 0.3 . 1 . . . A 21 ASN CB . 17577 1 174 . 1 1 21 21 ASN N N 15 117.5 0.3 . 1 . . . A 21 ASN N . 17577 1 175 . 1 1 21 21 ASN ND2 N 15 111.4 0.3 . 1 . . . A 21 ASN ND2 . 17577 1 176 . 1 1 22 22 THR H H 1 8.14 0.02 . 1 . . . A 22 THR H . 17577 1 177 . 1 1 22 22 THR HA H 1 4.42 0.02 . 1 . . . A 22 THR HA . 17577 1 178 . 1 1 22 22 THR HB H 1 4.73 0.02 . 1 . . . A 22 THR HB . 17577 1 179 . 1 1 22 22 THR HG21 H 1 1.69 0.02 . 1 . . . A 22 THR HG21 . 17577 1 180 . 1 1 22 22 THR HG22 H 1 1.69 0.02 . 1 . . . A 22 THR HG22 . 17577 1 181 . 1 1 22 22 THR HG23 H 1 1.69 0.02 . 1 . . . A 22 THR HG23 . 17577 1 182 . 1 1 22 22 THR C C 13 174.8 0.3 . 1 . . . A 22 THR C . 17577 1 183 . 1 1 22 22 THR CA C 13 63.2 0.3 . 1 . . . A 22 THR CA . 17577 1 184 . 1 1 22 22 THR CB C 13 71.8 0.3 . 1 . . . A 22 THR CB . 17577 1 185 . 1 1 22 22 THR CG2 C 13 24.0 0.3 . 1 . . . A 22 THR CG2 . 17577 1 186 . 1 1 22 22 THR N N 15 112.1 0.3 . 1 . . . A 22 THR N . 17577 1 187 . 1 1 23 23 GLU H H 1 8.98 0.02 . 1 . . . A 23 GLU H . 17577 1 188 . 1 1 23 23 GLU HA H 1 4.75 0.02 . 1 . . . A 23 GLU HA . 17577 1 189 . 1 1 23 23 GLU C C 13 178.8 0.3 . 1 . . . A 23 GLU C . 17577 1 190 . 1 1 23 23 GLU CA C 13 61.3 0.3 . 1 . . . A 23 GLU CA . 17577 1 191 . 1 1 23 23 GLU CB C 13 30.3 0.3 . 1 . . . A 23 GLU CB . 17577 1 192 . 1 1 23 23 GLU CG C 13 37.6 0.3 . 1 . . . A 23 GLU CG . 17577 1 193 . 1 1 23 23 GLU N N 15 122.7 0.3 . 1 . . . A 23 GLU N . 17577 1 194 . 1 1 24 24 PHE H H 1 8.61 0.02 . 1 . . . A 24 PHE H . 17577 1 195 . 1 1 24 24 PHE HA H 1 3.98 0.02 . 1 . . . A 24 PHE HA . 17577 1 196 . 1 1 24 24 PHE HB2 H 1 3.27 0.02 . 2 . . . A 24 PHE HB2 . 17577 1 197 . 1 1 24 24 PHE HB3 H 1 2.95 0.02 . 2 . . . A 24 PHE HB3 . 17577 1 198 . 1 1 24 24 PHE C C 13 175.9 0.3 . 1 . . . A 24 PHE C . 17577 1 199 . 1 1 24 24 PHE CA C 13 62.9 0.3 . 1 . . . A 24 PHE CA . 17577 1 200 . 1 1 24 24 PHE CB C 13 40.7 0.3 . 1 . . . A 24 PHE CB . 17577 1 201 . 1 1 24 24 PHE N N 15 118.2 0.3 . 1 . . . A 24 PHE N . 17577 1 202 . 1 1 25 25 PHE H H 1 7.73 0.02 . 1 . . . A 25 PHE H . 17577 1 203 . 1 1 25 25 PHE HA H 1 3.84 0.02 . 1 . . . A 25 PHE HA . 17577 1 204 . 1 1 25 25 PHE C C 13 176.5 0.3 . 1 . . . A 25 PHE C . 17577 1 205 . 1 1 25 25 PHE CA C 13 62.8 0.3 . 1 . . . A 25 PHE CA . 17577 1 206 . 1 1 25 25 PHE CB C 13 40.4 0.3 . 1 . . . A 25 PHE CB . 17577 1 207 . 1 1 25 25 PHE N N 15 119.0 0.3 . 1 . . . A 25 PHE N . 17577 1 208 . 1 1 26 26 LEU H H 1 8.38 0.02 . 1 . . . A 26 LEU H . 17577 1 209 . 1 1 26 26 LEU HA H 1 3.73 0.02 . 1 . . . A 26 LEU HA . 17577 1 210 . 1 1 26 26 LEU HB2 H 1 1.88 0.02 . 2 . . . A 26 LEU HB2 . 17577 1 211 . 1 1 26 26 LEU HB3 H 1 1.47 0.02 . 2 . . . A 26 LEU HB3 . 17577 1 212 . 1 1 26 26 LEU HD11 H 1 1.10 0.02 . 1 . . . A 26 LEU HD11 . 17577 1 213 . 1 1 26 26 LEU HD12 H 1 1.10 0.02 . 1 . . . A 26 LEU HD12 . 17577 1 214 . 1 1 26 26 LEU HD13 H 1 1.10 0.02 . 1 . . . A 26 LEU HD13 . 17577 1 215 . 1 1 26 26 LEU HD21 H 1 0.94 0.02 . 1 . . . A 26 LEU HD21 . 17577 1 216 . 1 1 26 26 LEU HD22 H 1 0.94 0.02 . 1 . . . A 26 LEU HD22 . 17577 1 217 . 1 1 26 26 LEU HD23 H 1 0.94 0.02 . 1 . . . A 26 LEU HD23 . 17577 1 218 . 1 1 26 26 LEU C C 13 179.2 0.3 . 1 . . . A 26 LEU C . 17577 1 219 . 1 1 26 26 LEU CA C 13 58.7 0.3 . 1 . . . A 26 LEU CA . 17577 1 220 . 1 1 26 26 LEU CB C 13 42.0 0.3 . 1 . . . A 26 LEU CB . 17577 1 221 . 1 1 26 26 LEU CD1 C 13 24.1 0.3 . 1 . . . A 26 LEU CD1 . 17577 1 222 . 1 1 26 26 LEU CD2 C 13 26.7 0.3 . 1 . . . A 26 LEU CD2 . 17577 1 223 . 1 1 26 26 LEU N N 15 115.9 0.3 . 1 . . . A 26 LEU N . 17577 1 224 . 1 1 27 27 ARG H H 1 7.72 0.02 . 1 . . . A 27 ARG H . 17577 1 225 . 1 1 27 27 ARG HA H 1 4.11 0.02 . 1 . . . A 27 ARG HA . 17577 1 226 . 1 1 27 27 ARG C C 13 178.4 0.3 . 1 . . . A 27 ARG C . 17577 1 227 . 1 1 27 27 ARG CA C 13 59.2 0.3 . 1 . . . A 27 ARG CA . 17577 1 228 . 1 1 27 27 ARG CB C 13 32.1 0.3 . 1 . . . A 27 ARG CB . 17577 1 229 . 1 1 27 27 ARG CG C 13 28.5 0.3 . 1 . . . A 27 ARG CG . 17577 1 230 . 1 1 27 27 ARG CD C 13 44.5 0.3 . 1 . . . A 27 ARG CD . 17577 1 231 . 1 1 27 27 ARG N N 15 116.9 0.3 . 1 . . . A 27 ARG N . 17577 1 232 . 1 1 28 28 GLU H H 1 7.66 0.02 . 1 . . . A 28 GLU H . 17577 1 233 . 1 1 28 28 GLU HA H 1 4.36 0.02 . 1 . . . A 28 GLU HA . 17577 1 234 . 1 1 28 28 GLU C C 13 178.2 0.3 . 1 . . . A 28 GLU C . 17577 1 235 . 1 1 28 28 GLU CA C 13 56.7 0.3 . 1 . . . A 28 GLU CA . 17577 1 236 . 1 1 28 28 GLU CB C 13 30.9 0.3 . 1 . . . A 28 GLU CB . 17577 1 237 . 1 1 28 28 GLU CG C 13 35.6 0.3 . 1 . . . A 28 GLU CG . 17577 1 238 . 1 1 28 28 GLU N N 15 116.0 0.3 . 1 . . . A 28 GLU N . 17577 1 239 . 1 1 29 29 LYS H H 1 7.91 0.02 . 1 . . . A 29 LYS H . 17577 1 240 . 1 1 29 29 LYS HA H 1 4.14 0.02 . 1 . . . A 29 LYS HA . 17577 1 241 . 1 1 29 29 LYS HB2 H 1 1.11 0.02 . 2 . . . A 29 LYS HB2 . 17577 1 242 . 1 1 29 29 LYS HB3 H 1 0.86 0.02 . 2 . . . A 29 LYS HB3 . 17577 1 243 . 1 1 29 29 LYS C C 13 177.9 0.3 . 1 . . . A 29 LYS C . 17577 1 244 . 1 1 29 29 LYS CA C 13 59.9 0.3 . 1 . . . A 29 LYS CA . 17577 1 245 . 1 1 29 29 LYS CB C 13 31.4 0.3 . 1 . . . A 29 LYS CB . 17577 1 246 . 1 1 29 29 LYS CE C 13 43.0 0.3 . 1 . . . A 29 LYS CE . 17577 1 247 . 1 1 29 29 LYS N N 15 120.7 0.3 . 1 . . . A 29 LYS N . 17577 1 248 . 1 1 30 30 ASP H H 1 8.39 0.02 . 1 . . . A 30 ASP H . 17577 1 249 . 1 1 30 30 ASP HA H 1 4.39 0.02 . 1 . . . A 30 ASP HA . 17577 1 250 . 1 1 30 30 ASP HB2 H 1 2.70 0.02 . 2 . . . A 30 ASP HB2 . 17577 1 251 . 1 1 30 30 ASP HB3 H 1 2.61 0.02 . 2 . . . A 30 ASP HB3 . 17577 1 252 . 1 1 30 30 ASP C C 13 177.0 0.3 . 1 . . . A 30 ASP C . 17577 1 253 . 1 1 30 30 ASP CA C 13 57.2 0.3 . 1 . . . A 30 ASP CA . 17577 1 254 . 1 1 30 30 ASP CB C 13 40.6 0.3 . 1 . . . A 30 ASP CB . 17577 1 255 . 1 1 30 30 ASP N N 15 118.8 0.3 . 1 . . . A 30 ASP N . 17577 1 256 . 1 1 31 31 LYS H H 1 8.11 0.02 . 1 . . . A 31 LYS H . 17577 1 257 . 1 1 31 31 LYS HA H 1 4.39 0.02 . 1 . . . A 31 LYS HA . 17577 1 258 . 1 1 31 31 LYS C C 13 177.2 0.3 . 1 . . . A 31 LYS C . 17577 1 259 . 1 1 31 31 LYS CA C 13 57.0 0.3 . 1 . . . A 31 LYS CA . 17577 1 260 . 1 1 31 31 LYS CB C 13 34.2 0.3 . 1 . . . A 31 LYS CB . 17577 1 261 . 1 1 31 31 LYS CG C 13 25.9 0.3 . 1 . . . A 31 LYS CG . 17577 1 262 . 1 1 31 31 LYS CD C 13 30.2 0.3 . 1 . . . A 31 LYS CD . 17577 1 263 . 1 1 31 31 LYS CE C 13 43.1 0.3 . 1 . . . A 31 LYS CE . 17577 1 264 . 1 1 31 31 LYS N N 15 118.0 0.3 . 1 . . . A 31 LYS N . 17577 1 265 . 1 1 32 32 MET H H 1 7.24 0.02 . 1 . . . A 32 MET H . 17577 1 266 . 1 1 32 32 MET HA H 1 4.52 0.02 . 1 . . . A 32 MET HA . 17577 1 267 . 1 1 32 32 MET HE1 H 1 2.01 0.02 . 1 . . . A 32 MET HE1 . 17577 1 268 . 1 1 32 32 MET HE2 H 1 2.01 0.02 . 1 . . . A 32 MET HE2 . 17577 1 269 . 1 1 32 32 MET HE3 H 1 2.01 0.02 . 1 . . . A 32 MET HE3 . 17577 1 270 . 1 1 32 32 MET C C 13 176.2 0.3 . 1 . . . A 32 MET C . 17577 1 271 . 1 1 32 32 MET CA C 13 58.0 0.3 . 1 . . . A 32 MET CA . 17577 1 272 . 1 1 32 32 MET CB C 13 33.5 0.3 . 1 . . . A 32 MET CB . 17577 1 273 . 1 1 32 32 MET CG C 13 35.5 0.3 . 1 . . . A 32 MET CG . 17577 1 274 . 1 1 32 32 MET CE C 13 20.8 0.3 . 1 . . . A 32 MET CE . 17577 1 275 . 1 1 32 32 MET N N 15 120.3 0.3 . 1 . . . A 32 MET N . 17577 1 276 . 1 1 33 33 LYS H H 1 8.56 0.02 . 1 . . . A 33 LYS H . 17577 1 277 . 1 1 33 33 LYS HA H 1 4.70 0.02 . 1 . . . A 33 LYS HA . 17577 1 278 . 1 1 33 33 LYS C C 13 173.0 0.3 . 1 . . . A 33 LYS C . 17577 1 279 . 1 1 33 33 LYS CA C 13 56.1 0.3 . 1 . . . A 33 LYS CA . 17577 1 280 . 1 1 33 33 LYS CB C 13 39.1 0.3 . 1 . . . A 33 LYS CB . 17577 1 281 . 1 1 33 33 LYS N N 15 120.2 0.3 . 1 . . . A 33 LYS N . 17577 1 282 . 1 1 34 34 MET H H 1 8.37 0.02 . 1 . . . A 34 MET H . 17577 1 283 . 1 1 34 34 MET HA H 1 4.08 0.02 . 1 . . . A 34 MET HA . 17577 1 284 . 1 1 34 34 MET HB2 H 1 2.16 0.02 . 2 . . . A 34 MET HB2 . 17577 1 285 . 1 1 34 34 MET HB3 H 1 2.06 0.02 . 2 . . . A 34 MET HB3 . 17577 1 286 . 1 1 34 34 MET HG2 H 1 3.01 0.02 . 2 . . . A 34 MET HG2 . 17577 1 287 . 1 1 34 34 MET HG3 H 1 2.80 0.02 . 2 . . . A 34 MET HG3 . 17577 1 288 . 1 1 34 34 MET HE1 H 1 2.22 0.02 . 1 . . . A 34 MET HE1 . 17577 1 289 . 1 1 34 34 MET HE2 H 1 2.22 0.02 . 1 . . . A 34 MET HE2 . 17577 1 290 . 1 1 34 34 MET HE3 H 1 2.22 0.02 . 1 . . . A 34 MET HE3 . 17577 1 291 . 1 1 34 34 MET C C 13 173.8 0.3 . 1 . . . A 34 MET C . 17577 1 292 . 1 1 34 34 MET CA C 13 59.5 0.3 . 1 . . . A 34 MET CA . 17577 1 293 . 1 1 34 34 MET CB C 13 35.7 0.3 . 1 . . . A 34 MET CB . 17577 1 294 . 1 1 34 34 MET CG C 13 32.1 0.3 . 1 . . . A 34 MET CG . 17577 1 295 . 1 1 34 34 MET CE C 13 18.4 0.3 . 1 . . . A 34 MET CE . 17577 1 296 . 1 1 34 34 MET N N 15 118.3 0.3 . 1 . . . A 34 MET N . 17577 1 297 . 1 1 35 35 ALA H H 1 7.36 0.02 . 1 . . . A 35 ALA H . 17577 1 298 . 1 1 35 35 ALA HA H 1 5.26 0.02 . 1 . . . A 35 ALA HA . 17577 1 299 . 1 1 35 35 ALA HB1 H 1 1.86 0.02 . 1 . . . A 35 ALA HB1 . 17577 1 300 . 1 1 35 35 ALA HB2 H 1 1.86 0.02 . 1 . . . A 35 ALA HB2 . 17577 1 301 . 1 1 35 35 ALA HB3 H 1 1.86 0.02 . 1 . . . A 35 ALA HB3 . 17577 1 302 . 1 1 35 35 ALA C C 13 176.1 0.3 . 1 . . . A 35 ALA C . 17577 1 303 . 1 1 35 35 ALA CA C 13 50.6 0.3 . 1 . . . A 35 ALA CA . 17577 1 304 . 1 1 35 35 ALA CB C 13 23.8 0.3 . 1 . . . A 35 ALA CB . 17577 1 305 . 1 1 35 35 ALA N N 15 126.0 0.3 . 1 . . . A 35 ALA N . 17577 1 306 . 1 1 36 36 MET H H 1 8.92 0.02 . 1 . . . A 36 MET H . 17577 1 307 . 1 1 36 36 MET HA H 1 5.28 0.02 . 1 . . . A 36 MET HA . 17577 1 308 . 1 1 36 36 MET HE1 H 1 2.08 0.02 . 1 . . . A 36 MET HE1 . 17577 1 309 . 1 1 36 36 MET HE2 H 1 2.08 0.02 . 1 . . . A 36 MET HE2 . 17577 1 310 . 1 1 36 36 MET HE3 H 1 2.08 0.02 . 1 . . . A 36 MET HE3 . 17577 1 311 . 1 1 36 36 MET C C 13 172.6 0.3 . 1 . . . A 36 MET C . 17577 1 312 . 1 1 36 36 MET CA C 13 56.1 0.3 . 1 . . . A 36 MET CA . 17577 1 313 . 1 1 36 36 MET CB C 13 39.6 0.3 . 1 . . . A 36 MET CB . 17577 1 314 . 1 1 36 36 MET CG C 13 33.4 0.3 . 1 . . . A 36 MET CG . 17577 1 315 . 1 1 36 36 MET CE C 13 19.0 0.3 . 1 . . . A 36 MET CE . 17577 1 316 . 1 1 36 36 MET N N 15 117.1 0.3 . 1 . . . A 36 MET N . 17577 1 317 . 1 1 37 37 ALA H H 1 8.98 0.02 . 1 . . . A 37 ALA H . 17577 1 318 . 1 1 37 37 ALA HA H 1 5.43 0.02 . 1 . . . A 37 ALA HA . 17577 1 319 . 1 1 37 37 ALA HB1 H 1 1.11 0.02 . 1 . . . A 37 ALA HB1 . 17577 1 320 . 1 1 37 37 ALA HB2 H 1 1.11 0.02 . 1 . . . A 37 ALA HB2 . 17577 1 321 . 1 1 37 37 ALA HB3 H 1 1.11 0.02 . 1 . . . A 37 ALA HB3 . 17577 1 322 . 1 1 37 37 ALA C C 13 175.4 0.3 . 1 . . . A 37 ALA C . 17577 1 323 . 1 1 37 37 ALA CA C 13 51.2 0.3 . 1 . . . A 37 ALA CA . 17577 1 324 . 1 1 37 37 ALA CB C 13 24.4 0.3 . 1 . . . A 37 ALA CB . 17577 1 325 . 1 1 37 37 ALA N N 15 121.7 0.3 . 1 . . . A 37 ALA N . 17577 1 326 . 1 1 38 38 ARG H H 1 9.18 0.02 . 1 . . . A 38 ARG H . 17577 1 327 . 1 1 38 38 ARG HA H 1 5.15 0.02 . 1 . . . A 38 ARG HA . 17577 1 328 . 1 1 38 38 ARG HB2 H 1 1.64 0.02 . 2 . . . A 38 ARG HB2 . 17577 1 329 . 1 1 38 38 ARG HB3 H 1 1.33 0.02 . 2 . . . A 38 ARG HB3 . 17577 1 330 . 1 1 38 38 ARG C C 13 174.9 0.3 . 1 . . . A 38 ARG C . 17577 1 331 . 1 1 38 38 ARG CA C 13 55.2 0.3 . 1 . . . A 38 ARG CA . 17577 1 332 . 1 1 38 38 ARG CB C 13 34.6 0.3 . 1 . . . A 38 ARG CB . 17577 1 333 . 1 1 38 38 ARG CG C 13 28.9 0.3 . 1 . . . A 38 ARG CG . 17577 1 334 . 1 1 38 38 ARG CD C 13 44.3 0.3 . 1 . . . A 38 ARG CD . 17577 1 335 . 1 1 38 38 ARG N N 15 120.4 0.3 . 1 . . . A 38 ARG N . 17577 1 336 . 1 1 39 39 ILE H H 1 8.93 0.02 . 1 . . . A 39 ILE H . 17577 1 337 . 1 1 39 39 ILE HA H 1 4.92 0.02 . 1 . . . A 39 ILE HA . 17577 1 338 . 1 1 39 39 ILE HB H 1 1.51 0.02 . 1 . . . A 39 ILE HB . 17577 1 339 . 1 1 39 39 ILE HG12 H 1 1.14 0.02 . 2 . . . A 39 ILE HG12 . 17577 1 340 . 1 1 39 39 ILE HG13 H 1 0.64 0.02 . 2 . . . A 39 ILE HG13 . 17577 1 341 . 1 1 39 39 ILE HG21 H 1 0.55 0.02 . 1 . . . A 39 ILE HG21 . 17577 1 342 . 1 1 39 39 ILE HG22 H 1 0.55 0.02 . 1 . . . A 39 ILE HG22 . 17577 1 343 . 1 1 39 39 ILE HG23 H 1 0.55 0.02 . 1 . . . A 39 ILE HG23 . 17577 1 344 . 1 1 39 39 ILE HD11 H 1 0.23 0.02 . 1 . . . A 39 ILE HD11 . 17577 1 345 . 1 1 39 39 ILE HD12 H 1 0.23 0.02 . 1 . . . A 39 ILE HD12 . 17577 1 346 . 1 1 39 39 ILE HD13 H 1 0.23 0.02 . 1 . . . A 39 ILE HD13 . 17577 1 347 . 1 1 39 39 ILE C C 13 175.1 0.3 . 1 . . . A 39 ILE C . 17577 1 348 . 1 1 39 39 ILE CA C 13 60.2 0.3 . 1 . . . A 39 ILE CA . 17577 1 349 . 1 1 39 39 ILE CB C 13 41.4 0.3 . 1 . . . A 39 ILE CB . 17577 1 350 . 1 1 39 39 ILE CG1 C 13 29.3 0.3 . 1 . . . A 39 ILE CG1 . 17577 1 351 . 1 1 39 39 ILE CG2 C 13 18.7 0.3 . 1 . . . A 39 ILE CG2 . 17577 1 352 . 1 1 39 39 ILE CD1 C 13 14.9 0.3 . 1 . . . A 39 ILE CD1 . 17577 1 353 . 1 1 39 39 ILE N N 15 126.0 0.3 . 1 . . . A 39 ILE N . 17577 1 354 . 1 1 40 40 SER H H 1 8.78 0.02 . 1 . . . A 40 SER H . 17577 1 355 . 1 1 40 40 SER HA H 1 4.63 0.02 . 1 . . . A 40 SER HA . 17577 1 356 . 1 1 40 40 SER HB2 H 1 3.76 0.02 . 2 . . . A 40 SER HB2 . 17577 1 357 . 1 1 40 40 SER HB3 H 1 3.64 0.02 . 2 . . . A 40 SER HB3 . 17577 1 358 . 1 1 40 40 SER CA C 13 57.9 0.3 . 1 . . . A 40 SER CA . 17577 1 359 . 1 1 40 40 SER CB C 13 66.3 0.3 . 1 . . . A 40 SER CB . 17577 1 360 . 1 1 40 40 SER N N 15 121.7 0.3 . 1 . . . A 40 SER N . 17577 1 361 . 1 1 41 41 PHE H H 1 9.08 0.02 . 1 . . . A 41 PHE H . 17577 1 362 . 1 1 41 41 PHE HA H 1 4.65 0.02 . 1 . . . A 41 PHE HA . 17577 1 363 . 1 1 41 41 PHE HB2 H 1 3.23 0.02 . 2 . . . A 41 PHE HB2 . 17577 1 364 . 1 1 41 41 PHE HB3 H 1 2.89 0.02 . 2 . . . A 41 PHE HB3 . 17577 1 365 . 1 1 41 41 PHE C C 13 175.9 0.3 . 1 . . . A 41 PHE C . 17577 1 366 . 1 1 41 41 PHE CA C 13 60.1 0.3 . 1 . . . A 41 PHE CA . 17577 1 367 . 1 1 41 41 PHE CB C 13 40.7 0.3 . 1 . . . A 41 PHE CB . 17577 1 368 . 1 1 41 41 PHE CD2 C 13 132.1 0.3 . 1 . . . A 41 PHE CD2 . 17577 1 369 . 1 1 41 41 PHE CE2 C 13 131.0 0.3 . 1 . . . A 41 PHE CE2 . 17577 1 370 . 1 1 41 41 PHE N N 15 122.3 0.3 . 1 . . . A 41 PHE N . 17577 1 371 . 1 1 42 42 LEU H H 1 8.54 0.02 . 1 . . . A 42 LEU H . 17577 1 372 . 1 1 42 42 LEU HA H 1 4.63 0.02 . 1 . . . A 42 LEU HA . 17577 1 373 . 1 1 42 42 LEU HB2 H 1 1.65 0.02 . 2 . . . A 42 LEU HB2 . 17577 1 374 . 1 1 42 42 LEU HB3 H 1 1.46 0.02 . 2 . . . A 42 LEU HB3 . 17577 1 375 . 1 1 42 42 LEU HG H 1 1.15 0.02 . 1 . . . A 42 LEU HG . 17577 1 376 . 1 1 42 42 LEU HD11 H 1 0.84 0.02 . 1 . . . A 42 LEU HD11 . 17577 1 377 . 1 1 42 42 LEU HD12 H 1 0.84 0.02 . 1 . . . A 42 LEU HD12 . 17577 1 378 . 1 1 42 42 LEU HD13 H 1 0.84 0.02 . 1 . . . A 42 LEU HD13 . 17577 1 379 . 1 1 42 42 LEU HD21 H 1 0.82 0.02 . 1 . . . A 42 LEU HD21 . 17577 1 380 . 1 1 42 42 LEU HD22 H 1 0.82 0.02 . 1 . . . A 42 LEU HD22 . 17577 1 381 . 1 1 42 42 LEU HD23 H 1 0.82 0.02 . 1 . . . A 42 LEU HD23 . 17577 1 382 . 1 1 42 42 LEU C C 13 176.4 0.3 . 1 . . . A 42 LEU C . 17577 1 383 . 1 1 42 42 LEU CA C 13 55.5 0.3 . 1 . . . A 42 LEU CA . 17577 1 384 . 1 1 42 42 LEU CB C 13 43.8 0.3 . 1 . . . A 42 LEU CB . 17577 1 385 . 1 1 42 42 LEU CG C 13 28.5 0.3 . 1 . . . A 42 LEU CG . 17577 1 386 . 1 1 42 42 LEU CD1 C 13 26.9 0.3 . 1 . . . A 42 LEU CD1 . 17577 1 387 . 1 1 42 42 LEU CD2 C 13 24.3 0.3 . 1 . . . A 42 LEU CD2 . 17577 1 388 . 1 1 42 42 LEU N N 15 125.1 0.3 . 1 . . . A 42 LEU N . 17577 1 389 . 1 1 43 43 GLY H H 1 8.31 0.02 . 1 . . . A 43 GLY H . 17577 1 390 . 1 1 43 43 GLY C C 13 173.7 0.3 . 1 . . . A 43 GLY C . 17577 1 391 . 1 1 43 43 GLY CA C 13 45.9 0.3 . 1 . . . A 43 GLY CA . 17577 1 392 . 1 1 43 43 GLY N N 15 108.7 0.3 . 1 . . . A 43 GLY N . 17577 1 393 . 1 1 44 44 GLU H H 1 8.90 0.02 . 1 . . . A 44 GLU H . 17577 1 394 . 1 1 44 44 GLU HA H 1 4.11 0.02 . 1 . . . A 44 GLU HA . 17577 1 395 . 1 1 44 44 GLU C C 13 177.2 0.3 . 1 . . . A 44 GLU C . 17577 1 396 . 1 1 44 44 GLU CA C 13 59.6 0.3 . 1 . . . A 44 GLU CA . 17577 1 397 . 1 1 44 44 GLU CB C 13 30.8 0.3 . 1 . . . A 44 GLU CB . 17577 1 398 . 1 1 44 44 GLU CG C 13 37.3 0.3 . 1 . . . A 44 GLU CG . 17577 1 399 . 1 1 44 44 GLU N N 15 120.3 0.3 . 1 . . . A 44 GLU N . 17577 1 400 . 1 1 45 45 ASP H H 1 8.50 0.02 . 1 . . . A 45 ASP H . 17577 1 401 . 1 1 45 45 ASP HA H 1 4.87 0.02 . 1 . . . A 45 ASP HA . 17577 1 402 . 1 1 45 45 ASP HB2 H 1 3.01 0.02 . 2 . . . A 45 ASP HB2 . 17577 1 403 . 1 1 45 45 ASP HB3 H 1 2.84 0.02 . 2 . . . A 45 ASP HB3 . 17577 1 404 . 1 1 45 45 ASP C C 13 174.5 0.3 . 1 . . . A 45 ASP C . 17577 1 405 . 1 1 45 45 ASP CA C 13 54.8 0.3 . 1 . . . A 45 ASP CA . 17577 1 406 . 1 1 45 45 ASP CB C 13 42.7 0.3 . 1 . . . A 45 ASP CB . 17577 1 407 . 1 1 45 45 ASP N N 15 115.2 0.3 . 1 . . . A 45 ASP N . 17577 1 408 . 1 1 46 46 GLU H H 1 7.45 0.02 . 1 . . . A 46 GLU H . 17577 1 409 . 1 1 46 46 GLU HA H 1 5.57 0.02 . 1 . . . A 46 GLU HA . 17577 1 410 . 1 1 46 46 GLU C C 13 174.8 0.3 . 1 . . . A 46 GLU C . 17577 1 411 . 1 1 46 46 GLU CA C 13 56.3 0.3 . 1 . . . A 46 GLU CA . 17577 1 412 . 1 1 46 46 GLU CB C 13 35.0 0.3 . 1 . . . A 46 GLU CB . 17577 1 413 . 1 1 46 46 GLU CG C 13 38.1 0.3 . 1 . . . A 46 GLU CG . 17577 1 414 . 1 1 46 46 GLU N N 15 117.8 0.3 . 1 . . . A 46 GLU N . 17577 1 415 . 1 1 47 47 LEU H H 1 9.16 0.02 . 1 . . . A 47 LEU H . 17577 1 416 . 1 1 47 47 LEU HA H 1 4.88 0.02 . 1 . . . A 47 LEU HA . 17577 1 417 . 1 1 47 47 LEU HB2 H 1 1.32 0.02 . 2 . . . A 47 LEU HB2 . 17577 1 418 . 1 1 47 47 LEU HB3 H 1 1.14 0.02 . 2 . . . A 47 LEU HB3 . 17577 1 419 . 1 1 47 47 LEU HG H 1 1.27 0.02 . 1 . . . A 47 LEU HG . 17577 1 420 . 1 1 47 47 LEU HD11 H 1 0.20 0.02 . 1 . . . A 47 LEU HD11 . 17577 1 421 . 1 1 47 47 LEU HD12 H 1 0.20 0.02 . 1 . . . A 47 LEU HD12 . 17577 1 422 . 1 1 47 47 LEU HD13 H 1 0.20 0.02 . 1 . . . A 47 LEU HD13 . 17577 1 423 . 1 1 47 47 LEU HD21 H 1 0.11 0.02 . 1 . . . A 47 LEU HD21 . 17577 1 424 . 1 1 47 47 LEU HD22 H 1 0.11 0.02 . 1 . . . A 47 LEU HD22 . 17577 1 425 . 1 1 47 47 LEU HD23 H 1 0.11 0.02 . 1 . . . A 47 LEU HD23 . 17577 1 426 . 1 1 47 47 LEU C C 13 173.9 0.3 . 1 . . . A 47 LEU C . 17577 1 427 . 1 1 47 47 LEU CA C 13 55.3 0.3 . 1 . . . A 47 LEU CA . 17577 1 428 . 1 1 47 47 LEU CB C 13 46.1 0.3 . 1 . . . A 47 LEU CB . 17577 1 429 . 1 1 47 47 LEU CG C 13 27.7 0.3 . 1 . . . A 47 LEU CG . 17577 1 430 . 1 1 47 47 LEU CD1 C 13 26.8 0.3 . 1 . . . A 47 LEU CD1 . 17577 1 431 . 1 1 47 47 LEU CD2 C 13 27.5 0.3 . 1 . . . A 47 LEU CD2 . 17577 1 432 . 1 1 47 47 LEU N N 15 124.2 0.3 . 1 . . . A 47 LEU N . 17577 1 433 . 1 1 48 48 LYS H H 1 9.02 0.02 . 1 . . . A 48 LYS H . 17577 1 434 . 1 1 48 48 LYS HA H 1 4.95 0.02 . 1 . . . A 48 LYS HA . 17577 1 435 . 1 1 48 48 LYS HB2 H 1 1.65 0.02 . 2 . . . A 48 LYS HB2 . 17577 1 436 . 1 1 48 48 LYS HB3 H 1 1.47 0.02 . 2 . . . A 48 LYS HB3 . 17577 1 437 . 1 1 48 48 LYS HG2 H 1 1.22 0.02 . 2 . . . A 48 LYS HG2 . 17577 1 438 . 1 1 48 48 LYS HG3 H 1 1.12 0.02 . 2 . . . A 48 LYS HG3 . 17577 1 439 . 1 1 48 48 LYS C C 13 174.3 0.3 . 1 . . . A 48 LYS C . 17577 1 440 . 1 1 48 48 LYS CA C 13 56.0 0.3 . 1 . . . A 48 LYS CA . 17577 1 441 . 1 1 48 48 LYS CB C 13 35.8 0.3 . 1 . . . A 48 LYS CB . 17577 1 442 . 1 1 48 48 LYS CG C 13 25.8 0.3 . 1 . . . A 48 LYS CG . 17577 1 443 . 1 1 48 48 LYS CD C 13 30.2 0.3 . 1 . . . A 48 LYS CD . 17577 1 444 . 1 1 48 48 LYS CE C 13 42.8 0.3 . 1 . . . A 48 LYS CE . 17577 1 445 . 1 1 48 48 LYS N N 15 123.8 0.3 . 1 . . . A 48 LYS N . 17577 1 446 . 1 1 49 49 VAL H H 1 8.92 0.02 . 1 . . . A 49 VAL H . 17577 1 447 . 1 1 49 49 VAL HA H 1 4.61 0.02 . 1 . . . A 49 VAL HA . 17577 1 448 . 1 1 49 49 VAL HB H 1 1.63 0.02 . 1 . . . A 49 VAL HB . 17577 1 449 . 1 1 49 49 VAL HG11 H 1 0.52 0.02 . 1 . . . A 49 VAL HG11 . 17577 1 450 . 1 1 49 49 VAL HG12 H 1 0.52 0.02 . 1 . . . A 49 VAL HG12 . 17577 1 451 . 1 1 49 49 VAL HG13 H 1 0.52 0.02 . 1 . . . A 49 VAL HG13 . 17577 1 452 . 1 1 49 49 VAL HG21 H 1 -0.09 0.02 . 1 . . . A 49 VAL HG21 . 17577 1 453 . 1 1 49 49 VAL HG22 H 1 -0.09 0.02 . 1 . . . A 49 VAL HG22 . 17577 1 454 . 1 1 49 49 VAL HG23 H 1 -0.09 0.02 . 1 . . . A 49 VAL HG23 . 17577 1 455 . 1 1 49 49 VAL C C 13 173.8 0.3 . 1 . . . A 49 VAL C . 17577 1 456 . 1 1 49 49 VAL CA C 13 61.3 0.3 . 1 . . . A 49 VAL CA . 17577 1 457 . 1 1 49 49 VAL CB C 13 35.3 0.3 . 1 . . . A 49 VAL CB . 17577 1 458 . 1 1 49 49 VAL CG1 C 13 23.0 0.3 . 1 . . . A 49 VAL CG1 . 17577 1 459 . 1 1 49 49 VAL CG2 C 13 22.5 0.3 . 1 . . . A 49 VAL CG2 . 17577 1 460 . 1 1 49 49 VAL N N 15 126.6 0.3 . 1 . . . A 49 VAL N . 17577 1 461 . 1 1 50 50 SER H H 1 8.36 0.02 . 1 . . . A 50 SER H . 17577 1 462 . 1 1 50 50 SER HA H 1 4.86 0.02 . 1 . . . A 50 SER HA . 17577 1 463 . 1 1 50 50 SER HB2 H 1 3.90 0.02 . 2 . . . A 50 SER HB2 . 17577 1 464 . 1 1 50 50 SER HB3 H 1 3.48 0.02 . 2 . . . A 50 SER HB3 . 17577 1 465 . 1 1 50 50 SER CA C 13 57.3 0.3 . 1 . . . A 50 SER CA . 17577 1 466 . 1 1 50 50 SER CB C 13 65.1 0.3 . 1 . . . A 50 SER CB . 17577 1 467 . 1 1 50 50 SER N N 15 120.9 0.3 . 1 . . . A 50 SER N . 17577 1 468 . 1 1 51 51 TYR H H 1 8.99 0.02 . 1 . . . A 51 TYR H . 17577 1 469 . 1 1 51 51 TYR HA H 1 4.85 0.02 . 1 . . . A 51 TYR HA . 17577 1 470 . 1 1 51 51 TYR C C 13 176.8 0.3 . 1 . . . A 51 TYR C . 17577 1 471 . 1 1 51 51 TYR CA C 13 58.2 0.3 . 1 . . . A 51 TYR CA . 17577 1 472 . 1 1 51 51 TYR CB C 13 42.6 0.3 . 1 . . . A 51 TYR CB . 17577 1 473 . 1 1 51 51 TYR CE1 C 13 117.8 0.3 . 1 . . . A 51 TYR CE1 . 17577 1 474 . 1 1 51 51 TYR N N 15 122.0 0.3 . 1 . . . A 51 TYR N . 17577 1 475 . 1 1 52 52 ALA H H 1 8.64 0.02 . 1 . . . A 52 ALA H . 17577 1 476 . 1 1 52 52 ALA HA H 1 4.87 0.02 . 1 . . . A 52 ALA HA . 17577 1 477 . 1 1 52 52 ALA HB1 H 1 0.93 0.02 . 1 . . . A 52 ALA HB1 . 17577 1 478 . 1 1 52 52 ALA HB2 H 1 0.93 0.02 . 1 . . . A 52 ALA HB2 . 17577 1 479 . 1 1 52 52 ALA HB3 H 1 0.93 0.02 . 1 . . . A 52 ALA HB3 . 17577 1 480 . 1 1 52 52 ALA C C 13 174.8 0.3 . 1 . . . A 52 ALA C . 17577 1 481 . 1 1 52 52 ALA CA C 13 53.0 0.3 . 1 . . . A 52 ALA CA . 17577 1 482 . 1 1 52 52 ALA CB C 13 21.8 0.3 . 1 . . . A 52 ALA CB . 17577 1 483 . 1 1 52 52 ALA N N 15 124.0 0.3 . 1 . . . A 52 ALA N . 17577 1 484 . 1 1 53 53 VAL H H 1 9.12 0.02 . 1 . . . A 53 VAL H . 17577 1 485 . 1 1 53 53 VAL HA H 1 4.77 0.02 . 1 . . . A 53 VAL HA . 17577 1 486 . 1 1 53 53 VAL HB H 1 1.82 0.02 . 1 . . . A 53 VAL HB . 17577 1 487 . 1 1 53 53 VAL HG11 H 1 0.74 0.02 . 1 . . . A 53 VAL HG11 . 17577 1 488 . 1 1 53 53 VAL HG12 H 1 0.74 0.02 . 1 . . . A 53 VAL HG12 . 17577 1 489 . 1 1 53 53 VAL HG13 H 1 0.74 0.02 . 1 . . . A 53 VAL HG13 . 17577 1 490 . 1 1 53 53 VAL HG21 H 1 0.43 0.02 . 1 . . . A 53 VAL HG21 . 17577 1 491 . 1 1 53 53 VAL HG22 H 1 0.43 0.02 . 1 . . . A 53 VAL HG22 . 17577 1 492 . 1 1 53 53 VAL HG23 H 1 0.43 0.02 . 1 . . . A 53 VAL HG23 . 17577 1 493 . 1 1 53 53 VAL C C 13 174.2 0.3 . 1 . . . A 53 VAL C . 17577 1 494 . 1 1 53 53 VAL CA C 13 59.3 0.3 . 1 . . . A 53 VAL CA . 17577 1 495 . 1 1 53 53 VAL CB C 13 36.5 0.3 . 1 . . . A 53 VAL CB . 17577 1 496 . 1 1 53 53 VAL CG1 C 13 21.4 0.3 . 1 . . . A 53 VAL CG1 . 17577 1 497 . 1 1 53 53 VAL CG2 C 13 22.0 0.3 . 1 . . . A 53 VAL CG2 . 17577 1 498 . 1 1 53 53 VAL N N 15 124.3 0.3 . 1 . . . A 53 VAL N . 17577 1 499 . 1 1 54 54 PRO HA H 1 4.70 0.02 . 1 . . . A 54 PRO HA . 17577 1 500 . 1 1 54 54 PRO HD2 H 1 3.84 0.02 . 2 . . . A 54 PRO HD2 . 17577 1 501 . 1 1 54 54 PRO HD3 H 1 3.74 0.02 . 2 . . . A 54 PRO HD3 . 17577 1 502 . 1 1 54 54 PRO CA C 13 64.7 0.3 . 1 . . . A 54 PRO CA . 17577 1 503 . 1 1 54 54 PRO CB C 13 32.9 0.3 . 1 . . . A 54 PRO CB . 17577 1 504 . 1 1 54 54 PRO CG C 13 29.7 0.3 . 1 . . . A 54 PRO CG . 17577 1 505 . 1 1 54 54 PRO CD C 13 52.6 0.3 . 1 . . . A 54 PRO CD . 17577 1 506 . 1 1 55 55 LYS H H 1 8.04 0.02 . 1 . . . A 55 LYS H . 17577 1 507 . 1 1 55 55 LYS HA H 1 4.93 0.02 . 1 . . . A 55 LYS HA . 17577 1 508 . 1 1 55 55 LYS CA C 13 54.6 0.3 . 1 . . . A 55 LYS CA . 17577 1 509 . 1 1 55 55 LYS CB C 13 33.4 0.3 . 1 . . . A 55 LYS CB . 17577 1 510 . 1 1 55 55 LYS N N 15 121.1 0.3 . 1 . . . A 55 LYS N . 17577 1 511 . 1 1 56 56 PRO HA H 1 4.28 0.02 . 1 . . . A 56 PRO HA . 17577 1 512 . 1 1 56 56 PRO HD2 H 1 3.98 0.02 . 2 . . . A 56 PRO HD2 . 17577 1 513 . 1 1 56 56 PRO HD3 H 1 3.95 0.02 . 2 . . . A 56 PRO HD3 . 17577 1 514 . 1 1 56 56 PRO C C 13 177.2 0.3 . 1 . . . A 56 PRO C . 17577 1 515 . 1 1 56 56 PRO CA C 13 66.4 0.3 . 1 . . . A 56 PRO CA . 17577 1 516 . 1 1 56 56 PRO CB C 13 32.3 0.3 . 1 . . . A 56 PRO CB . 17577 1 517 . 1 1 56 56 PRO CG C 13 29.4 0.3 . 1 . . . A 56 PRO CG . 17577 1 518 . 1 1 56 56 PRO CD C 13 52.0 0.3 . 1 . . . A 56 PRO CD . 17577 1 519 . 1 1 57 57 ASN H H 1 8.37 0.02 . 1 . . . A 57 ASN H . 17577 1 520 . 1 1 57 57 ASN HA H 1 4.72 0.02 . 1 . . . A 57 ASN HA . 17577 1 521 . 1 1 57 57 ASN HD21 H 1 7.59 0.02 . 1 . . . A 57 ASN HD21 . 17577 1 522 . 1 1 57 57 ASN HD22 H 1 6.90 0.02 . 1 . . . A 57 ASN HD22 . 17577 1 523 . 1 1 57 57 ASN C C 13 174.9 0.3 . 1 . . . A 57 ASN C . 17577 1 524 . 1 1 57 57 ASN CA C 13 54.0 0.3 . 1 . . . A 57 ASN CA . 17577 1 525 . 1 1 57 57 ASN CB C 13 39.3 0.3 . 1 . . . A 57 ASN CB . 17577 1 526 . 1 1 57 57 ASN N N 15 114.2 0.3 . 1 . . . A 57 ASN N . 17577 1 527 . 1 1 57 57 ASN ND2 N 15 112.6 0.3 . 1 . . . A 57 ASN ND2 . 17577 1 528 . 1 1 58 58 GLY H H 1 7.81 0.02 . 1 . . . A 58 GLY H . 17577 1 529 . 1 1 58 58 GLY C C 13 172.0 0.3 . 1 . . . A 58 GLY C . 17577 1 530 . 1 1 58 58 GLY CA C 13 47.0 0.3 . 1 . . . A 58 GLY CA . 17577 1 531 . 1 1 58 58 GLY N N 15 106.5 0.3 . 1 . . . A 58 GLY N . 17577 1 532 . 1 1 60 60 ARG H H 1 9.12 0.02 . 1 . . . A 60 ARG H . 17577 1 533 . 1 1 60 60 ARG HA H 1 4.58 0.02 . 1 . . . A 60 ARG HA . 17577 1 534 . 1 1 60 60 ARG C C 13 174.0 0.3 . 1 . . . A 60 ARG C . 17577 1 535 . 1 1 60 60 ARG CA C 13 56.5 0.3 . 1 . . . A 60 ARG CA . 17577 1 536 . 1 1 60 60 ARG CB C 13 32.4 0.3 . 1 . . . A 60 ARG CB . 17577 1 537 . 1 1 60 60 ARG CG C 13 28.9 0.3 . 1 . . . A 60 ARG CG . 17577 1 538 . 1 1 60 60 ARG CD C 13 43.9 0.3 . 1 . . . A 60 ARG CD . 17577 1 539 . 1 1 60 60 ARG N N 15 132.3 0.3 . 1 . . . A 60 ARG N . 17577 1 540 . 1 1 61 61 LYS H H 1 8.50 0.02 . 1 . . . A 61 LYS H . 17577 1 541 . 1 1 61 61 LYS HA H 1 5.52 0.02 . 1 . . . A 61 LYS HA . 17577 1 542 . 1 1 61 61 LYS HB2 H 1 1.92 0.02 . 2 . . . A 61 LYS HB2 . 17577 1 543 . 1 1 61 61 LYS HB3 H 1 1.68 0.02 . 2 . . . A 61 LYS HB3 . 17577 1 544 . 1 1 61 61 LYS C C 13 175.9 0.3 . 1 . . . A 61 LYS C . 17577 1 545 . 1 1 61 61 LYS CA C 13 56.1 0.3 . 1 . . . A 61 LYS CA . 17577 1 546 . 1 1 61 61 LYS CB C 13 36.1 0.3 . 1 . . . A 61 LYS CB . 17577 1 547 . 1 1 61 61 LYS CG C 13 26.5 0.3 . 1 . . . A 61 LYS CG . 17577 1 548 . 1 1 61 61 LYS CD C 13 30.4 0.3 . 1 . . . A 61 LYS CD . 17577 1 549 . 1 1 61 61 LYS CE C 13 43.7 0.3 . 1 . . . A 61 LYS CE . 17577 1 550 . 1 1 61 61 LYS N N 15 126.2 0.3 . 1 . . . A 61 LYS N . 17577 1 551 . 1 1 62 62 TRP H H 1 8.07 0.02 . 1 . . . A 62 TRP H . 17577 1 552 . 1 1 62 62 TRP HA H 1 4.86 0.02 . 1 . . . A 62 TRP HA . 17577 1 553 . 1 1 62 62 TRP HD1 H 1 6.73 0.02 . 1 . . . A 62 TRP HD1 . 17577 1 554 . 1 1 62 62 TRP HE1 H 1 9.53 0.02 . 1 . . . A 62 TRP HE1 . 17577 1 555 . 1 1 62 62 TRP HZ2 H 1 6.47 0.02 . 1 . . . A 62 TRP HZ2 . 17577 1 556 . 1 1 62 62 TRP C C 13 171.9 0.3 . 1 . . . A 62 TRP C . 17577 1 557 . 1 1 62 62 TRP CA C 13 57.7 0.3 . 1 . . . A 62 TRP CA . 17577 1 558 . 1 1 62 62 TRP CB C 13 31.3 0.3 . 1 . . . A 62 TRP CB . 17577 1 559 . 1 1 62 62 TRP CD1 C 13 126.7 0.3 . 1 . . . A 62 TRP CD1 . 17577 1 560 . 1 1 62 62 TRP CZ2 C 13 115.5 0.3 . 1 . . . A 62 TRP CZ2 . 17577 1 561 . 1 1 62 62 TRP N N 15 121.9 0.3 . 1 . . . A 62 TRP N . 17577 1 562 . 1 1 62 62 TRP NE1 N 15 131.7 0.3 . 1 . . . A 62 TRP NE1 . 17577 1 563 . 1 1 63 63 GLU H H 1 8.45 0.02 . 1 . . . A 63 GLU H . 17577 1 564 . 1 1 63 63 GLU HA H 1 5.61 0.02 . 1 . . . A 63 GLU HA . 17577 1 565 . 1 1 63 63 GLU HB2 H 1 1.90 0.02 . 2 . . . A 63 GLU HB2 . 17577 1 566 . 1 1 63 63 GLU HB3 H 1 1.85 0.02 . 2 . . . A 63 GLU HB3 . 17577 1 567 . 1 1 63 63 GLU C C 13 175.5 0.3 . 1 . . . A 63 GLU C . 17577 1 568 . 1 1 63 63 GLU CA C 13 55.2 0.3 . 1 . . . A 63 GLU CA . 17577 1 569 . 1 1 63 63 GLU CB C 13 35.1 0.3 . 1 . . . A 63 GLU CB . 17577 1 570 . 1 1 63 63 GLU CG C 13 37.1 0.3 . 1 . . . A 63 GLU CG . 17577 1 571 . 1 1 63 63 GLU N N 15 117.1 0.3 . 1 . . . A 63 GLU N . 17577 1 572 . 1 1 64 64 THR H H 1 8.98 0.02 . 1 . . . A 64 THR H . 17577 1 573 . 1 1 64 64 THR HA H 1 4.60 0.02 . 1 . . . A 64 THR HA . 17577 1 574 . 1 1 64 64 THR HB H 1 3.94 0.02 . 1 . . . A 64 THR HB . 17577 1 575 . 1 1 64 64 THR HG21 H 1 0.66 0.02 . 1 . . . A 64 THR HG21 . 17577 1 576 . 1 1 64 64 THR HG22 H 1 0.66 0.02 . 1 . . . A 64 THR HG22 . 17577 1 577 . 1 1 64 64 THR HG23 H 1 0.66 0.02 . 1 . . . A 64 THR HG23 . 17577 1 578 . 1 1 64 64 THR C C 13 171.8 0.3 . 1 . . . A 64 THR C . 17577 1 579 . 1 1 64 64 THR CA C 13 63.0 0.3 . 1 . . . A 64 THR CA . 17577 1 580 . 1 1 64 64 THR CB C 13 72.7 0.3 . 1 . . . A 64 THR CB . 17577 1 581 . 1 1 64 64 THR CG2 C 13 23.4 0.3 . 1 . . . A 64 THR CG2 . 17577 1 582 . 1 1 64 64 THR N N 15 117.4 0.3 . 1 . . . A 64 THR N . 17577 1 583 . 1 1 65 65 THR H H 1 8.38 0.02 . 1 . . . A 65 THR H . 17577 1 584 . 1 1 65 65 THR HA H 1 5.26 0.02 . 1 . . . A 65 THR HA . 17577 1 585 . 1 1 65 65 THR HB H 1 4.00 0.02 . 1 . . . A 65 THR HB . 17577 1 586 . 1 1 65 65 THR HG21 H 1 1.15 0.02 . 1 . . . A 65 THR HG21 . 17577 1 587 . 1 1 65 65 THR HG22 H 1 1.15 0.02 . 1 . . . A 65 THR HG22 . 17577 1 588 . 1 1 65 65 THR HG23 H 1 1.15 0.02 . 1 . . . A 65 THR HG23 . 17577 1 589 . 1 1 65 65 THR C C 13 173.7 0.3 . 1 . . . A 65 THR C . 17577 1 590 . 1 1 65 65 THR CA C 13 62.3 0.3 . 1 . . . A 65 THR CA . 17577 1 591 . 1 1 65 65 THR CB C 13 71.1 0.3 . 1 . . . A 65 THR CB . 17577 1 592 . 1 1 65 65 THR CG2 C 13 22.8 0.3 . 1 . . . A 65 THR CG2 . 17577 1 593 . 1 1 65 65 THR N N 15 119.1 0.3 . 1 . . . A 65 THR N . 17577 1 594 . 1 1 66 66 PHE H H 1 9.59 0.02 . 1 . . . A 66 PHE H . 17577 1 595 . 1 1 66 66 PHE HA H 1 4.83 0.02 . 1 . . . A 66 PHE HA . 17577 1 596 . 1 1 66 66 PHE HB2 H 1 3.04 0.02 . 2 . . . A 66 PHE HB2 . 17577 1 597 . 1 1 66 66 PHE HB3 H 1 2.74 0.02 . 2 . . . A 66 PHE HB3 . 17577 1 598 . 1 1 66 66 PHE C C 13 174.2 0.3 . 1 . . . A 66 PHE C . 17577 1 599 . 1 1 66 66 PHE CA C 13 58.1 0.3 . 1 . . . A 66 PHE CA . 17577 1 600 . 1 1 66 66 PHE CB C 13 45.6 0.3 . 1 . . . A 66 PHE CB . 17577 1 601 . 1 1 66 66 PHE CD2 C 13 132.0 0.3 . 1 . . . A 66 PHE CD2 . 17577 1 602 . 1 1 66 66 PHE N N 15 123.4 0.3 . 1 . . . A 66 PHE N . 17577 1 603 . 1 1 67 67 LYS H H 1 8.88 0.02 . 1 . . . A 67 LYS H . 17577 1 604 . 1 1 67 67 LYS HA H 1 5.52 0.02 . 1 . . . A 67 LYS HA . 17577 1 605 . 1 1 67 67 LYS HB2 H 1 2.08 0.02 . 2 . . . A 67 LYS HB2 . 17577 1 606 . 1 1 67 67 LYS HB3 H 1 1.90 0.02 . 2 . . . A 67 LYS HB3 . 17577 1 607 . 1 1 67 67 LYS C C 13 176.5 0.3 . 1 . . . A 67 LYS C . 17577 1 608 . 1 1 67 67 LYS CA C 13 55.5 0.3 . 1 . . . A 67 LYS CA . 17577 1 609 . 1 1 67 67 LYS CB C 13 37.3 0.3 . 1 . . . A 67 LYS CB . 17577 1 610 . 1 1 67 67 LYS CG C 13 26.1 0.3 . 1 . . . A 67 LYS CG . 17577 1 611 . 1 1 67 67 LYS CD C 13 30.4 0.3 . 1 . . . A 67 LYS CD . 17577 1 612 . 1 1 67 67 LYS CE C 13 43.2 0.3 . 1 . . . A 67 LYS CE . 17577 1 613 . 1 1 67 67 LYS N N 15 119.7 0.3 . 1 . . . A 67 LYS N . 17577 1 614 . 1 1 68 68 LYS H H 1 8.85 0.02 . 1 . . . A 68 LYS H . 17577 1 615 . 1 1 68 68 LYS HA H 1 4.88 0.02 . 1 . . . A 68 LYS HA . 17577 1 616 . 1 1 68 68 LYS HB2 H 1 1.79 0.02 . 2 . . . A 68 LYS HB2 . 17577 1 617 . 1 1 68 68 LYS HB3 H 1 1.63 0.02 . 2 . . . A 68 LYS HB3 . 17577 1 618 . 1 1 68 68 LYS C C 13 177.4 0.3 . 1 . . . A 68 LYS C . 17577 1 619 . 1 1 68 68 LYS CA C 13 58.7 0.3 . 1 . . . A 68 LYS CA . 17577 1 620 . 1 1 68 68 LYS CB C 13 35.3 0.3 . 1 . . . A 68 LYS CB . 17577 1 621 . 1 1 68 68 LYS CG C 13 26.0 0.3 . 1 . . . A 68 LYS CG . 17577 1 622 . 1 1 68 68 LYS CD C 13 29.9 0.3 . 1 . . . A 68 LYS CD . 17577 1 623 . 1 1 68 68 LYS CE C 13 44.5 0.3 . 1 . . . A 68 LYS CE . 17577 1 624 . 1 1 68 68 LYS N N 15 129.1 0.3 . 1 . . . A 68 LYS N . 17577 1 625 . 1 1 69 69 THR H H 1 8.72 0.02 . 1 . . . A 69 THR H . 17577 1 626 . 1 1 69 69 THR HA H 1 4.71 0.02 . 1 . . . A 69 THR HA . 17577 1 627 . 1 1 69 69 THR HB H 1 3.84 0.02 . 1 . . . A 69 THR HB . 17577 1 628 . 1 1 69 69 THR HG21 H 1 1.21 0.02 . 1 . . . A 69 THR HG21 . 17577 1 629 . 1 1 69 69 THR HG22 H 1 1.21 0.02 . 1 . . . A 69 THR HG22 . 17577 1 630 . 1 1 69 69 THR HG23 H 1 1.21 0.02 . 1 . . . A 69 THR HG23 . 17577 1 631 . 1 1 69 69 THR C C 13 174.6 0.3 . 1 . . . A 69 THR C . 17577 1 632 . 1 1 69 69 THR CA C 13 61.9 0.3 . 1 . . . A 69 THR CA . 17577 1 633 . 1 1 69 69 THR CB C 13 70.8 0.3 . 1 . . . A 69 THR CB . 17577 1 634 . 1 1 69 69 THR CG2 C 13 23.9 0.3 . 1 . . . A 69 THR CG2 . 17577 1 635 . 1 1 69 69 THR N N 15 118.5 0.3 . 1 . . . A 69 THR N . 17577 1 636 . 1 1 70 70 SER H H 1 8.35 0.02 . 1 . . . A 70 SER H . 17577 1 637 . 1 1 70 70 SER HA H 1 4.42 0.02 . 1 . . . A 70 SER HA . 17577 1 638 . 1 1 70 70 SER HB2 H 1 4.03 0.02 . 2 . . . A 70 SER HB2 . 17577 1 639 . 1 1 70 70 SER HB3 H 1 3.87 0.02 . 2 . . . A 70 SER HB3 . 17577 1 640 . 1 1 70 70 SER C C 13 174.5 0.3 . 1 . . . A 70 SER C . 17577 1 641 . 1 1 70 70 SER CA C 13 59.3 0.3 . 1 . . . A 70 SER CA . 17577 1 642 . 1 1 70 70 SER CB C 13 64.4 0.3 . 1 . . . A 70 SER CB . 17577 1 643 . 1 1 70 70 SER N N 15 111.8 0.3 . 1 . . . A 70 SER N . 17577 1 644 . 1 1 71 71 ASP H H 1 7.96 0.02 . 1 . . . A 71 ASP H . 17577 1 645 . 1 1 71 71 ASP HA H 1 4.38 0.02 . 1 . . . A 71 ASP HA . 17577 1 646 . 1 1 71 71 ASP HB2 H 1 2.70 0.02 . 2 . . . A 71 ASP HB2 . 17577 1 647 . 1 1 71 71 ASP HB3 H 1 2.11 0.02 . 2 . . . A 71 ASP HB3 . 17577 1 648 . 1 1 71 71 ASP C C 13 175.6 0.3 . 1 . . . A 71 ASP C . 17577 1 649 . 1 1 71 71 ASP CA C 13 56.1 0.3 . 1 . . . A 71 ASP CA . 17577 1 650 . 1 1 71 71 ASP CB C 13 43.0 0.3 . 1 . . . A 71 ASP CB . 17577 1 651 . 1 1 71 71 ASP N N 15 121.1 0.3 . 1 . . . A 71 ASP N . 17577 1 652 . 1 1 72 72 ASP H H 1 8.50 0.02 . 1 . . . A 72 ASP H . 17577 1 653 . 1 1 72 72 ASP HA H 1 4.45 0.02 . 1 . . . A 72 ASP HA . 17577 1 654 . 1 1 72 72 ASP HB2 H 1 2.63 0.02 . 2 . . . A 72 ASP HB2 . 17577 1 655 . 1 1 72 72 ASP HB3 H 1 2.54 0.02 . 2 . . . A 72 ASP HB3 . 17577 1 656 . 1 1 72 72 ASP C C 13 175.9 0.3 . 1 . . . A 72 ASP C . 17577 1 657 . 1 1 72 72 ASP CA C 13 56.1 0.3 . 1 . . . A 72 ASP CA . 17577 1 658 . 1 1 72 72 ASP CB C 13 42.1 0.3 . 1 . . . A 72 ASP CB . 17577 1 659 . 1 1 72 72 ASP N N 15 121.0 0.3 . 1 . . . A 72 ASP N . 17577 1 660 . 1 1 73 73 GLY H H 1 8.20 0.02 . 1 . . . A 73 GLY H . 17577 1 661 . 1 1 73 73 GLY HA2 H 1 4.04 0.02 . 2 . . . A 73 GLY HA2 . 17577 1 662 . 1 1 73 73 GLY HA3 H 1 3.78 0.02 . 2 . . . A 73 GLY HA3 . 17577 1 663 . 1 1 73 73 GLY C C 13 172.8 0.3 . 1 . . . A 73 GLY C . 17577 1 664 . 1 1 73 73 GLY CA C 13 45.5 0.3 . 1 . . . A 73 GLY CA . 17577 1 665 . 1 1 73 73 GLY N N 15 109.1 0.3 . 1 . . . A 73 GLY N . 17577 1 666 . 1 1 74 74 GLU H H 1 8.78 0.02 . 1 . . . A 74 GLU H . 17577 1 667 . 1 1 74 74 GLU HA H 1 4.77 0.02 . 1 . . . A 74 GLU HA . 17577 1 668 . 1 1 74 74 GLU C C 13 173.6 0.3 . 1 . . . A 74 GLU C . 17577 1 669 . 1 1 74 74 GLU CA C 13 55.4 0.3 . 1 . . . A 74 GLU CA . 17577 1 670 . 1 1 74 74 GLU CB C 13 30.6 0.3 . 1 . . . A 74 GLU CB . 17577 1 671 . 1 1 74 74 GLU CG C 13 35.0 0.3 . 1 . . . A 74 GLU CG . 17577 1 672 . 1 1 74 74 GLU N N 15 123.3 0.3 . 1 . . . A 74 GLU N . 17577 1 673 . 1 1 75 75 VAL H H 1 7.87 0.02 . 1 . . . A 75 VAL H . 17577 1 674 . 1 1 75 75 VAL HA H 1 5.04 0.02 . 1 . . . A 75 VAL HA . 17577 1 675 . 1 1 75 75 VAL HB H 1 2.03 0.02 . 1 . . . A 75 VAL HB . 17577 1 676 . 1 1 75 75 VAL HG11 H 1 0.96 0.02 . 1 . . . A 75 VAL HG11 . 17577 1 677 . 1 1 75 75 VAL HG12 H 1 0.96 0.02 . 1 . . . A 75 VAL HG12 . 17577 1 678 . 1 1 75 75 VAL HG13 H 1 0.96 0.02 . 1 . . . A 75 VAL HG13 . 17577 1 679 . 1 1 75 75 VAL HG21 H 1 0.86 0.02 . 1 . . . A 75 VAL HG21 . 17577 1 680 . 1 1 75 75 VAL HG22 H 1 0.86 0.02 . 1 . . . A 75 VAL HG22 . 17577 1 681 . 1 1 75 75 VAL HG23 H 1 0.86 0.02 . 1 . . . A 75 VAL HG23 . 17577 1 682 . 1 1 75 75 VAL C C 13 174.1 0.3 . 1 . . . A 75 VAL C . 17577 1 683 . 1 1 75 75 VAL CA C 13 62.5 0.3 . 1 . . . A 75 VAL CA . 17577 1 684 . 1 1 75 75 VAL CB C 13 34.0 0.3 . 1 . . . A 75 VAL CB . 17577 1 685 . 1 1 75 75 VAL CG1 C 13 23.4 0.3 . 1 . . . A 75 VAL CG1 . 17577 1 686 . 1 1 75 75 VAL CG2 C 13 21.8 0.3 . 1 . . . A 75 VAL CG2 . 17577 1 687 . 1 1 75 75 VAL N N 15 123.5 0.3 . 1 . . . A 75 VAL N . 17577 1 688 . 1 1 76 76 TYR H H 1 9.36 0.02 . 1 . . . A 76 TYR H . 17577 1 689 . 1 1 76 76 TYR HA H 1 5.24 0.02 . 1 . . . A 76 TYR HA . 17577 1 690 . 1 1 76 76 TYR HB2 H 1 2.76 0.02 . 2 . . . A 76 TYR HB2 . 17577 1 691 . 1 1 76 76 TYR HB3 H 1 2.54 0.02 . 2 . . . A 76 TYR HB3 . 17577 1 692 . 1 1 76 76 TYR C C 13 174.3 0.3 . 1 . . . A 76 TYR C . 17577 1 693 . 1 1 76 76 TYR CA C 13 57.8 0.3 . 1 . . . A 76 TYR CA . 17577 1 694 . 1 1 76 76 TYR CB C 13 43.7 0.3 . 1 . . . A 76 TYR CB . 17577 1 695 . 1 1 76 76 TYR N N 15 125.0 0.3 . 1 . . . A 76 TYR N . 17577 1 696 . 1 1 77 77 TYR H H 1 9.48 0.02 . 1 . . . A 77 TYR H . 17577 1 697 . 1 1 77 77 TYR HA H 1 5.88 0.02 . 1 . . . A 77 TYR HA . 17577 1 698 . 1 1 77 77 TYR C C 13 174.6 0.3 . 1 . . . A 77 TYR C . 17577 1 699 . 1 1 77 77 TYR CA C 13 58.0 0.3 . 1 . . . A 77 TYR CA . 17577 1 700 . 1 1 77 77 TYR CB C 13 44.6 0.3 . 1 . . . A 77 TYR CB . 17577 1 701 . 1 1 77 77 TYR N N 15 120.5 0.3 . 1 . . . A 77 TYR N . 17577 1 702 . 1 1 78 78 SER H H 1 8.57 0.02 . 1 . . . A 78 SER H . 17577 1 703 . 1 1 78 78 SER HA H 1 4.83 0.02 . 1 . . . A 78 SER HA . 17577 1 704 . 1 1 78 78 SER C C 13 174.3 0.3 . 1 . . . A 78 SER C . 17577 1 705 . 1 1 78 78 SER CA C 13 55.6 0.3 . 1 . . . A 78 SER CA . 17577 1 706 . 1 1 78 78 SER CB C 13 64.4 0.3 . 1 . . . A 78 SER CB . 17577 1 707 . 1 1 78 78 SER N N 15 125.1 0.3 . 1 . . . A 78 SER N . 17577 1 708 . 1 1 79 79 GLU H H 1 8.67 0.02 . 1 . . . A 79 GLU H . 17577 1 709 . 1 1 79 79 GLU HA H 1 3.98 0.02 . 1 . . . A 79 GLU HA . 17577 1 710 . 1 1 79 79 GLU HB2 H 1 2.11 0.02 . 2 . . . A 79 GLU HB2 . 17577 1 711 . 1 1 79 79 GLU HB3 H 1 2.03 0.02 . 2 . . . A 79 GLU HB3 . 17577 1 712 . 1 1 79 79 GLU HG2 H 1 2.42 0.02 . 2 . . . A 79 GLU HG2 . 17577 1 713 . 1 1 79 79 GLU HG3 H 1 2.35 0.02 . 2 . . . A 79 GLU HG3 . 17577 1 714 . 1 1 79 79 GLU C C 13 178.6 0.3 . 1 . . . A 79 GLU C . 17577 1 715 . 1 1 79 79 GLU CA C 13 60.1 0.3 . 1 . . . A 79 GLU CA . 17577 1 716 . 1 1 79 79 GLU CB C 13 30.5 0.3 . 1 . . . A 79 GLU CB . 17577 1 717 . 1 1 79 79 GLU CG C 13 36.7 0.3 . 1 . . . A 79 GLU CG . 17577 1 718 . 1 1 79 79 GLU N N 15 130.0 0.3 . 1 . . . A 79 GLU N . 17577 1 719 . 1 1 80 80 GLU H H 1 8.56 0.02 . 1 . . . A 80 GLU H . 17577 1 720 . 1 1 80 80 GLU HA H 1 4.00 0.02 . 1 . . . A 80 GLU HA . 17577 1 721 . 1 1 80 80 GLU C C 13 177.7 0.3 . 1 . . . A 80 GLU C . 17577 1 722 . 1 1 80 80 GLU CA C 13 60.0 0.3 . 1 . . . A 80 GLU CA . 17577 1 723 . 1 1 80 80 GLU CB C 13 30.5 0.3 . 1 . . . A 80 GLU CB . 17577 1 724 . 1 1 80 80 GLU CG C 13 37.2 0.3 . 1 . . . A 80 GLU CG . 17577 1 725 . 1 1 80 80 GLU N N 15 118.9 0.3 . 1 . . . A 80 GLU N . 17577 1 726 . 1 1 81 81 ALA H H 1 7.41 0.02 . 1 . . . A 81 ALA H . 17577 1 727 . 1 1 81 81 ALA HA H 1 4.39 0.02 . 1 . . . A 81 ALA HA . 17577 1 728 . 1 1 81 81 ALA HB1 H 1 1.40 0.02 . 1 . . . A 81 ALA HB1 . 17577 1 729 . 1 1 81 81 ALA HB2 H 1 1.40 0.02 . 1 . . . A 81 ALA HB2 . 17577 1 730 . 1 1 81 81 ALA HB3 H 1 1.40 0.02 . 1 . . . A 81 ALA HB3 . 17577 1 731 . 1 1 81 81 ALA C C 13 176.0 0.3 . 1 . . . A 81 ALA C . 17577 1 732 . 1 1 81 81 ALA CA C 13 52.4 0.3 . 1 . . . A 81 ALA CA . 17577 1 733 . 1 1 81 81 ALA CB C 13 20.6 0.3 . 1 . . . A 81 ALA CB . 17577 1 734 . 1 1 81 81 ALA N N 15 117.6 0.3 . 1 . . . A 81 ALA N . 17577 1 735 . 1 1 82 82 LYS H H 1 7.83 0.02 . 1 . . . A 82 LYS H . 17577 1 736 . 1 1 82 82 LYS HA H 1 3.87 0.02 . 1 . . . A 82 LYS HA . 17577 1 737 . 1 1 82 82 LYS C C 13 175.1 0.3 . 1 . . . A 82 LYS C . 17577 1 738 . 1 1 82 82 LYS CA C 13 57.2 0.3 . 1 . . . A 82 LYS CA . 17577 1 739 . 1 1 82 82 LYS CB C 13 30.3 0.3 . 1 . . . A 82 LYS CB . 17577 1 740 . 1 1 82 82 LYS CE C 13 43.6 0.3 . 1 . . . A 82 LYS CE . 17577 1 741 . 1 1 82 82 LYS N N 15 118.3 0.3 . 1 . . . A 82 LYS N . 17577 1 742 . 1 1 83 83 LYS H H 1 7.15 0.02 . 1 . . . A 83 LYS H . 17577 1 743 . 1 1 83 83 LYS HA H 1 5.44 0.02 . 1 . . . A 83 LYS HA . 17577 1 744 . 1 1 83 83 LYS HB2 H 1 1.76 0.02 . 2 . . . A 83 LYS HB2 . 17577 1 745 . 1 1 83 83 LYS HB3 H 1 1.59 0.02 . 2 . . . A 83 LYS HB3 . 17577 1 746 . 1 1 83 83 LYS C C 13 172.4 0.3 . 1 . . . A 83 LYS C . 17577 1 747 . 1 1 83 83 LYS CA C 13 55.5 0.3 . 1 . . . A 83 LYS CA . 17577 1 748 . 1 1 83 83 LYS CB C 13 40.1 0.3 . 1 . . . A 83 LYS CB . 17577 1 749 . 1 1 83 83 LYS N N 15 118.4 0.3 . 1 . . . A 83 LYS N . 17577 1 750 . 1 1 84 84 LYS H H 1 9.54 0.02 . 1 . . . A 84 LYS H . 17577 1 751 . 1 1 84 84 LYS HA H 1 5.68 0.02 . 1 . . . A 84 LYS HA . 17577 1 752 . 1 1 84 84 LYS C C 13 174.9 0.3 . 1 . . . A 84 LYS C . 17577 1 753 . 1 1 84 84 LYS CA C 13 55.7 0.3 . 1 . . . A 84 LYS CA . 17577 1 754 . 1 1 84 84 LYS CB C 13 38.0 0.3 . 1 . . . A 84 LYS CB . 17577 1 755 . 1 1 84 84 LYS CG C 13 26.6 0.3 . 1 . . . A 84 LYS CG . 17577 1 756 . 1 1 84 84 LYS CD C 13 30.7 0.3 . 1 . . . A 84 LYS CD . 17577 1 757 . 1 1 84 84 LYS CE C 13 43.2 0.3 . 1 . . . A 84 LYS CE . 17577 1 758 . 1 1 84 84 LYS N N 15 130.0 0.3 . 1 . . . A 84 LYS N . 17577 1 759 . 1 1 85 85 VAL H H 1 9.51 0.02 . 1 . . . A 85 VAL H . 17577 1 760 . 1 1 85 85 VAL HA H 1 4.98 0.02 . 1 . . . A 85 VAL HA . 17577 1 761 . 1 1 85 85 VAL HB H 1 1.68 0.02 . 1 . . . A 85 VAL HB . 17577 1 762 . 1 1 85 85 VAL HG11 H 1 0.73 0.02 . 1 . . . A 85 VAL HG11 . 17577 1 763 . 1 1 85 85 VAL HG12 H 1 0.73 0.02 . 1 . . . A 85 VAL HG12 . 17577 1 764 . 1 1 85 85 VAL HG13 H 1 0.73 0.02 . 1 . . . A 85 VAL HG13 . 17577 1 765 . 1 1 85 85 VAL HG21 H 1 0.52 0.02 . 1 . . . A 85 VAL HG21 . 17577 1 766 . 1 1 85 85 VAL HG22 H 1 0.52 0.02 . 1 . . . A 85 VAL HG22 . 17577 1 767 . 1 1 85 85 VAL HG23 H 1 0.52 0.02 . 1 . . . A 85 VAL HG23 . 17577 1 768 . 1 1 85 85 VAL C C 13 173.0 0.3 . 1 . . . A 85 VAL C . 17577 1 769 . 1 1 85 85 VAL CA C 13 61.4 0.3 . 1 . . . A 85 VAL CA . 17577 1 770 . 1 1 85 85 VAL CB C 13 36.7 0.3 . 1 . . . A 85 VAL CB . 17577 1 771 . 1 1 85 85 VAL CG1 C 13 22.7 0.3 . 1 . . . A 85 VAL CG1 . 17577 1 772 . 1 1 85 85 VAL CG2 C 13 21.1 0.3 . 1 . . . A 85 VAL CG2 . 17577 1 773 . 1 1 85 85 VAL N N 15 121.1 0.3 . 1 . . . A 85 VAL N . 17577 1 774 . 1 1 86 86 GLU H H 1 8.83 0.02 . 1 . . . A 86 GLU H . 17577 1 775 . 1 1 86 86 GLU HA H 1 5.32 0.02 . 1 . . . A 86 GLU HA . 17577 1 776 . 1 1 86 86 GLU HB2 H 1 2.21 0.02 . 2 . . . A 86 GLU HB2 . 17577 1 777 . 1 1 86 86 GLU HB3 H 1 2.13 0.02 . 2 . . . A 86 GLU HB3 . 17577 1 778 . 1 1 86 86 GLU C C 13 175.8 0.3 . 1 . . . A 86 GLU C . 17577 1 779 . 1 1 86 86 GLU CA C 13 54.7 0.3 . 1 . . . A 86 GLU CA . 17577 1 780 . 1 1 86 86 GLU CB C 13 34.2 0.3 . 1 . . . A 86 GLU CB . 17577 1 781 . 1 1 86 86 GLU CG C 13 37.4 0.3 . 1 . . . A 86 GLU CG . 17577 1 782 . 1 1 86 86 GLU N N 15 123.7 0.3 . 1 . . . A 86 GLU N . 17577 1 783 . 1 1 87 87 VAL H H 1 8.76 0.02 . 1 . . . A 87 VAL H . 17577 1 784 . 1 1 87 87 VAL HA H 1 4.17 0.02 . 1 . . . A 87 VAL HA . 17577 1 785 . 1 1 87 87 VAL HB H 1 2.24 0.02 . 1 . . . A 87 VAL HB . 17577 1 786 . 1 1 87 87 VAL HG11 H 1 0.73 0.02 . 1 . . . A 87 VAL HG11 . 17577 1 787 . 1 1 87 87 VAL HG12 H 1 0.73 0.02 . 1 . . . A 87 VAL HG12 . 17577 1 788 . 1 1 87 87 VAL HG13 H 1 0.73 0.02 . 1 . . . A 87 VAL HG13 . 17577 1 789 . 1 1 87 87 VAL HG21 H 1 0.59 0.02 . 1 . . . A 87 VAL HG21 . 17577 1 790 . 1 1 87 87 VAL HG22 H 1 0.59 0.02 . 1 . . . A 87 VAL HG22 . 17577 1 791 . 1 1 87 87 VAL HG23 H 1 0.59 0.02 . 1 . . . A 87 VAL HG23 . 17577 1 792 . 1 1 87 87 VAL C C 13 176.0 0.3 . 1 . . . A 87 VAL C . 17577 1 793 . 1 1 87 87 VAL CA C 13 63.5 0.3 . 1 . . . A 87 VAL CA . 17577 1 794 . 1 1 87 87 VAL CB C 13 32.0 0.3 . 1 . . . A 87 VAL CB . 17577 1 795 . 1 1 87 87 VAL CG1 C 13 21.5 0.3 . 1 . . . A 87 VAL CG1 . 17577 1 796 . 1 1 87 87 VAL CG2 C 13 22.1 0.3 . 1 . . . A 87 VAL CG2 . 17577 1 797 . 1 1 87 87 VAL N N 15 125.4 0.3 . 1 . . . A 87 VAL N . 17577 1 798 . 1 1 88 88 LEU H H 1 8.99 0.02 . 1 . . . A 88 LEU H . 17577 1 799 . 1 1 88 88 LEU HA H 1 4.39 0.02 . 1 . . . A 88 LEU HA . 17577 1 800 . 1 1 88 88 LEU HD11 H 1 0.81 0.02 . 1 . . . A 88 LEU HD11 . 17577 1 801 . 1 1 88 88 LEU HD12 H 1 0.81 0.02 . 1 . . . A 88 LEU HD12 . 17577 1 802 . 1 1 88 88 LEU HD13 H 1 0.81 0.02 . 1 . . . A 88 LEU HD13 . 17577 1 803 . 1 1 88 88 LEU HD21 H 1 0.73 0.02 . 1 . . . A 88 LEU HD21 . 17577 1 804 . 1 1 88 88 LEU HD22 H 1 0.73 0.02 . 1 . . . A 88 LEU HD22 . 17577 1 805 . 1 1 88 88 LEU HD23 H 1 0.73 0.02 . 1 . . . A 88 LEU HD23 . 17577 1 806 . 1 1 88 88 LEU C C 13 177.2 0.3 . 1 . . . A 88 LEU C . 17577 1 807 . 1 1 88 88 LEU CA C 13 57.0 0.3 . 1 . . . A 88 LEU CA . 17577 1 808 . 1 1 88 88 LEU CB C 13 44.2 0.3 . 1 . . . A 88 LEU CB . 17577 1 809 . 1 1 88 88 LEU CD1 C 13 27.2 0.3 . 1 . . . A 88 LEU CD1 . 17577 1 810 . 1 1 88 88 LEU CD2 C 13 22.4 0.3 . 1 . . . A 88 LEU CD2 . 17577 1 811 . 1 1 88 88 LEU N N 15 128.0 0.3 . 1 . . . A 88 LEU N . 17577 1 812 . 1 1 89 89 ASP H H 1 7.14 0.02 . 1 . . . A 89 ASP H . 17577 1 813 . 1 1 89 89 ASP HA H 1 4.78 0.02 . 1 . . . A 89 ASP HA . 17577 1 814 . 1 1 89 89 ASP HB2 H 1 2.82 0.02 . 2 . . . A 89 ASP HB2 . 17577 1 815 . 1 1 89 89 ASP HB3 H 1 2.20 0.02 . 2 . . . A 89 ASP HB3 . 17577 1 816 . 1 1 89 89 ASP C C 13 173.9 0.3 . 1 . . . A 89 ASP C . 17577 1 817 . 1 1 89 89 ASP CA C 13 55.9 0.3 . 1 . . . A 89 ASP CA . 17577 1 818 . 1 1 89 89 ASP CB C 13 46.6 0.3 . 1 . . . A 89 ASP CB . 17577 1 819 . 1 1 89 89 ASP N N 15 113.9 0.3 . 1 . . . A 89 ASP N . 17577 1 820 . 1 1 90 90 THR H H 1 8.07 0.02 . 1 . . . A 90 THR H . 17577 1 821 . 1 1 90 90 THR HA H 1 3.80 0.02 . 1 . . . A 90 THR HA . 17577 1 822 . 1 1 90 90 THR HB H 1 3.94 0.02 . 1 . . . A 90 THR HB . 17577 1 823 . 1 1 90 90 THR HG21 H 1 0.04 0.02 . 1 . . . A 90 THR HG21 . 17577 1 824 . 1 1 90 90 THR HG22 H 1 0.04 0.02 . 1 . . . A 90 THR HG22 . 17577 1 825 . 1 1 90 90 THR HG23 H 1 0.04 0.02 . 1 . . . A 90 THR HG23 . 17577 1 826 . 1 1 90 90 THR C C 13 169.8 0.3 . 1 . . . A 90 THR C . 17577 1 827 . 1 1 90 90 THR CA C 13 61.5 0.3 . 1 . . . A 90 THR CA . 17577 1 828 . 1 1 90 90 THR CB C 13 69.2 0.3 . 1 . . . A 90 THR CB . 17577 1 829 . 1 1 90 90 THR CG2 C 13 17.0 0.3 . 1 . . . A 90 THR CG2 . 17577 1 830 . 1 1 90 90 THR N N 15 119.5 0.3 . 1 . . . A 90 THR N . 17577 1 831 . 1 1 91 91 ASP H H 1 6.79 0.02 . 1 . . . A 91 ASP H . 17577 1 832 . 1 1 91 91 ASP HA H 1 4.85 0.02 . 1 . . . A 91 ASP HA . 17577 1 833 . 1 1 91 91 ASP HB2 H 1 3.27 0.02 . 2 . . . A 91 ASP HB2 . 17577 1 834 . 1 1 91 91 ASP HB3 H 1 2.80 0.02 . 2 . . . A 91 ASP HB3 . 17577 1 835 . 1 1 91 91 ASP C C 13 176.8 0.3 . 1 . . . A 91 ASP C . 17577 1 836 . 1 1 91 91 ASP CA C 13 53.9 0.3 . 1 . . . A 91 ASP CA . 17577 1 837 . 1 1 91 91 ASP CB C 13 41.9 0.3 . 1 . . . A 91 ASP CB . 17577 1 838 . 1 1 91 91 ASP N N 15 122.4 0.3 . 1 . . . A 91 ASP N . 17577 1 839 . 1 1 92 92 TYR H H 1 9.42 0.02 . 1 . . . A 92 TYR H . 17577 1 840 . 1 1 92 92 TYR HA H 1 3.51 0.02 . 1 . . . A 92 TYR HA . 17577 1 841 . 1 1 92 92 TYR C C 13 173.9 0.3 . 1 . . . A 92 TYR C . 17577 1 842 . 1 1 92 92 TYR CA C 13 62.3 0.3 . 1 . . . A 92 TYR CA . 17577 1 843 . 1 1 92 92 TYR CB C 13 36.6 0.3 . 1 . . . A 92 TYR CB . 17577 1 844 . 1 1 92 92 TYR CD2 C 13 133.0 0.3 . 1 . . . A 92 TYR CD2 . 17577 1 845 . 1 1 92 92 TYR CE2 C 13 118.6 0.3 . 1 . . . A 92 TYR CE2 . 17577 1 846 . 1 1 92 92 TYR N N 15 115.1 0.3 . 1 . . . A 92 TYR N . 17577 1 847 . 1 1 93 93 LYS H H 1 8.08 0.02 . 1 . . . A 93 LYS H . 17577 1 848 . 1 1 93 93 LYS HA H 1 4.67 0.02 . 1 . . . A 93 LYS HA . 17577 1 849 . 1 1 93 93 LYS C C 13 175.6 0.3 . 1 . . . A 93 LYS C . 17577 1 850 . 1 1 93 93 LYS CA C 13 59.5 0.3 . 1 . . . A 93 LYS CA . 17577 1 851 . 1 1 93 93 LYS CB C 13 37.8 0.3 . 1 . . . A 93 LYS CB . 17577 1 852 . 1 1 93 93 LYS N N 15 112.3 0.3 . 1 . . . A 93 LYS N . 17577 1 853 . 1 1 94 94 SER H H 1 11.42 0.02 . 1 . . . A 94 SER H . 17577 1 854 . 1 1 94 94 SER HA H 1 4.82 0.02 . 1 . . . A 94 SER HA . 17577 1 855 . 1 1 94 94 SER HB2 H 1 4.28 0.02 . 2 . . . A 94 SER HB2 . 17577 1 856 . 1 1 94 94 SER HB3 H 1 3.89 0.02 . 2 . . . A 94 SER HB3 . 17577 1 857 . 1 1 94 94 SER CA C 13 61.2 0.3 . 1 . . . A 94 SER CA . 17577 1 858 . 1 1 94 94 SER CB C 13 68.8 0.3 . 1 . . . A 94 SER CB . 17577 1 859 . 1 1 94 94 SER N N 15 120.3 0.3 . 1 . . . A 94 SER N . 17577 1 860 . 1 1 95 95 TYR H H 1 8.49 0.02 . 1 . . . A 95 TYR H . 17577 1 861 . 1 1 95 95 TYR HA H 1 6.15 0.02 . 1 . . . A 95 TYR HA . 17577 1 862 . 1 1 95 95 TYR HB2 H 1 3.29 0.02 . 2 . . . A 95 TYR HB2 . 17577 1 863 . 1 1 95 95 TYR HB3 H 1 3.16 0.02 . 2 . . . A 95 TYR HB3 . 17577 1 864 . 1 1 95 95 TYR C C 13 173.5 0.3 . 1 . . . A 95 TYR C . 17577 1 865 . 1 1 95 95 TYR CA C 13 58.6 0.3 . 1 . . . A 95 TYR CA . 17577 1 866 . 1 1 95 95 TYR CB C 13 42.6 0.3 . 1 . . . A 95 TYR CB . 17577 1 867 . 1 1 95 95 TYR N N 15 122.7 0.3 . 1 . . . A 95 TYR N . 17577 1 868 . 1 1 96 96 ALA H H 1 9.01 0.02 . 1 . . . A 96 ALA H . 17577 1 869 . 1 1 96 96 ALA HA H 1 4.55 0.02 . 1 . . . A 96 ALA HA . 17577 1 870 . 1 1 96 96 ALA HB1 H 1 0.88 0.02 . 1 . . . A 96 ALA HB1 . 17577 1 871 . 1 1 96 96 ALA HB2 H 1 0.88 0.02 . 1 . . . A 96 ALA HB2 . 17577 1 872 . 1 1 96 96 ALA HB3 H 1 0.88 0.02 . 1 . . . A 96 ALA HB3 . 17577 1 873 . 1 1 96 96 ALA C C 13 174.7 0.3 . 1 . . . A 96 ALA C . 17577 1 874 . 1 1 96 96 ALA CA C 13 53.5 0.3 . 1 . . . A 96 ALA CA . 17577 1 875 . 1 1 96 96 ALA CB C 13 23.7 0.3 . 1 . . . A 96 ALA CB . 17577 1 876 . 1 1 96 96 ALA N N 15 120.9 0.3 . 1 . . . A 96 ALA N . 17577 1 877 . 1 1 97 97 VAL H H 1 9.31 0.02 . 1 . . . A 97 VAL H . 17577 1 878 . 1 1 97 97 VAL HA H 1 5.02 0.02 . 1 . . . A 97 VAL HA . 17577 1 879 . 1 1 97 97 VAL HB H 1 2.15 0.02 . 1 . . . A 97 VAL HB . 17577 1 880 . 1 1 97 97 VAL HG11 H 1 1.30 0.02 . 1 . . . A 97 VAL HG11 . 17577 1 881 . 1 1 97 97 VAL HG12 H 1 1.30 0.02 . 1 . . . A 97 VAL HG12 . 17577 1 882 . 1 1 97 97 VAL HG13 H 1 1.30 0.02 . 1 . . . A 97 VAL HG13 . 17577 1 883 . 1 1 97 97 VAL HG21 H 1 1.19 0.02 . 1 . . . A 97 VAL HG21 . 17577 1 884 . 1 1 97 97 VAL HG22 H 1 1.19 0.02 . 1 . . . A 97 VAL HG22 . 17577 1 885 . 1 1 97 97 VAL HG23 H 1 1.19 0.02 . 1 . . . A 97 VAL HG23 . 17577 1 886 . 1 1 97 97 VAL C C 13 174.3 0.3 . 1 . . . A 97 VAL C . 17577 1 887 . 1 1 97 97 VAL CA C 13 63.2 0.3 . 1 . . . A 97 VAL CA . 17577 1 888 . 1 1 97 97 VAL CB C 13 33.6 0.3 . 1 . . . A 97 VAL CB . 17577 1 889 . 1 1 97 97 VAL CG1 C 13 22.4 0.3 . 1 . . . A 97 VAL CG1 . 17577 1 890 . 1 1 97 97 VAL CG2 C 13 23.9 0.3 . 1 . . . A 97 VAL CG2 . 17577 1 891 . 1 1 97 97 VAL N N 15 121.7 0.3 . 1 . . . A 97 VAL N . 17577 1 892 . 1 1 98 98 ILE H H 1 9.55 0.02 . 1 . . . A 98 ILE H . 17577 1 893 . 1 1 98 98 ILE HA H 1 5.05 0.02 . 1 . . . A 98 ILE HA . 17577 1 894 . 1 1 98 98 ILE HB H 1 1.98 0.02 . 1 . . . A 98 ILE HB . 17577 1 895 . 1 1 98 98 ILE HG21 H 1 0.91 0.02 . 1 . . . A 98 ILE HG21 . 17577 1 896 . 1 1 98 98 ILE HG22 H 1 0.91 0.02 . 1 . . . A 98 ILE HG22 . 17577 1 897 . 1 1 98 98 ILE HG23 H 1 0.91 0.02 . 1 . . . A 98 ILE HG23 . 17577 1 898 . 1 1 98 98 ILE HD11 H 1 0.62 0.02 . 1 . . . A 98 ILE HD11 . 17577 1 899 . 1 1 98 98 ILE HD12 H 1 0.62 0.02 . 1 . . . A 98 ILE HD12 . 17577 1 900 . 1 1 98 98 ILE HD13 H 1 0.62 0.02 . 1 . . . A 98 ILE HD13 . 17577 1 901 . 1 1 98 98 ILE C C 13 174.0 0.3 . 1 . . . A 98 ILE C . 17577 1 902 . 1 1 98 98 ILE CA C 13 59.2 0.3 . 1 . . . A 98 ILE CA . 17577 1 903 . 1 1 98 98 ILE CB C 13 42.7 0.3 . 1 . . . A 98 ILE CB . 17577 1 904 . 1 1 98 98 ILE CG1 C 13 31.0 0.3 . 1 . . . A 98 ILE CG1 . 17577 1 905 . 1 1 98 98 ILE CG2 C 13 19.9 0.3 . 1 . . . A 98 ILE CG2 . 17577 1 906 . 1 1 98 98 ILE CD1 C 13 15.0 0.3 . 1 . . . A 98 ILE CD1 . 17577 1 907 . 1 1 98 98 ILE N N 15 129.6 0.3 . 1 . . . A 98 ILE N . 17577 1 908 . 1 1 99 99 TYR H H 1 9.55 0.02 . 1 . . . A 99 TYR H . 17577 1 909 . 1 1 99 99 TYR HA H 1 5.26 0.02 . 1 . . . A 99 TYR HA . 17577 1 910 . 1 1 99 99 TYR HB2 H 1 3.16 0.02 . 2 . . . A 99 TYR HB2 . 17577 1 911 . 1 1 99 99 TYR HB3 H 1 2.79 0.02 . 2 . . . A 99 TYR HB3 . 17577 1 912 . 1 1 99 99 TYR HD1 H 1 7.17 0.02 . 1 . . . A 99 TYR HD1 . 17577 1 913 . 1 1 99 99 TYR C C 13 173.7 0.3 . 1 . . . A 99 TYR C . 17577 1 914 . 1 1 99 99 TYR CA C 13 57.7 0.3 . 1 . . . A 99 TYR CA . 17577 1 915 . 1 1 99 99 TYR CB C 13 42.2 0.3 . 1 . . . A 99 TYR CB . 17577 1 916 . 1 1 99 99 TYR CD1 C 13 133.0 0.3 . 1 . . . A 99 TYR CD1 . 17577 1 917 . 1 1 99 99 TYR CE1 C 13 117.7 0.3 . 1 . . . A 99 TYR CE1 . 17577 1 918 . 1 1 99 99 TYR N N 15 128.1 0.3 . 1 . . . A 99 TYR N . 17577 1 919 . 1 1 100 100 ALA H H 1 9.61 0.02 . 1 . . . A 100 ALA H . 17577 1 920 . 1 1 100 100 ALA HA H 1 5.72 0.02 . 1 . . . A 100 ALA HA . 17577 1 921 . 1 1 100 100 ALA HB1 H 1 1.50 0.02 . 1 . . . A 100 ALA HB1 . 17577 1 922 . 1 1 100 100 ALA HB2 H 1 1.50 0.02 . 1 . . . A 100 ALA HB2 . 17577 1 923 . 1 1 100 100 ALA HB3 H 1 1.50 0.02 . 1 . . . A 100 ALA HB3 . 17577 1 924 . 1 1 100 100 ALA C C 13 175.5 0.3 . 1 . . . A 100 ALA C . 17577 1 925 . 1 1 100 100 ALA CA C 13 51.4 0.3 . 1 . . . A 100 ALA CA . 17577 1 926 . 1 1 100 100 ALA CB C 13 24.9 0.3 . 1 . . . A 100 ALA CB . 17577 1 927 . 1 1 100 100 ALA N N 15 134.4 0.3 . 1 . . . A 100 ALA N . 17577 1 928 . 1 1 101 101 THR H H 1 9.43 0.02 . 1 . . . A 101 THR H . 17577 1 929 . 1 1 101 101 THR HA H 1 5.45 0.02 . 1 . . . A 101 THR HA . 17577 1 930 . 1 1 101 101 THR HB H 1 4.03 0.02 . 1 . . . A 101 THR HB . 17577 1 931 . 1 1 101 101 THR HG21 H 1 1.10 0.02 . 1 . . . A 101 THR HG21 . 17577 1 932 . 1 1 101 101 THR HG22 H 1 1.10 0.02 . 1 . . . A 101 THR HG22 . 17577 1 933 . 1 1 101 101 THR HG23 H 1 1.10 0.02 . 1 . . . A 101 THR HG23 . 17577 1 934 . 1 1 101 101 THR C C 13 173.6 0.3 . 1 . . . A 101 THR C . 17577 1 935 . 1 1 101 101 THR CA C 13 62.0 0.3 . 1 . . . A 101 THR CA . 17577 1 936 . 1 1 101 101 THR CB C 13 73.1 0.3 . 1 . . . A 101 THR CB . 17577 1 937 . 1 1 101 101 THR CG2 C 13 22.5 0.3 . 1 . . . A 101 THR CG2 . 17577 1 938 . 1 1 101 101 THR N N 15 116.2 0.3 . 1 . . . A 101 THR N . 17577 1 939 . 1 1 102 102 ARG H H 1 8.97 0.02 . 1 . . . A 102 ARG H . 17577 1 940 . 1 1 102 102 ARG HA H 1 5.21 0.02 . 1 . . . A 102 ARG HA . 17577 1 941 . 1 1 102 102 ARG C C 13 173.9 0.3 . 1 . . . A 102 ARG C . 17577 1 942 . 1 1 102 102 ARG CA C 13 55.5 0.3 . 1 . . . A 102 ARG CA . 17577 1 943 . 1 1 102 102 ARG CB C 13 36.1 0.3 . 1 . . . A 102 ARG CB . 17577 1 944 . 1 1 102 102 ARG CG C 13 27.6 0.3 . 1 . . . A 102 ARG CG . 17577 1 945 . 1 1 102 102 ARG CD C 13 44.8 0.3 . 1 . . . A 102 ARG CD . 17577 1 946 . 1 1 102 102 ARG N N 15 125.7 0.3 . 1 . . . A 102 ARG N . 17577 1 947 . 1 1 103 103 VAL H H 1 7.87 0.02 . 1 . . . A 103 VAL H . 17577 1 948 . 1 1 103 103 VAL HA H 1 4.77 0.02 . 1 . . . A 103 VAL HA . 17577 1 949 . 1 1 103 103 VAL HB H 1 1.90 0.02 . 1 . . . A 103 VAL HB . 17577 1 950 . 1 1 103 103 VAL HG11 H 1 0.92 0.02 . 1 . . . A 103 VAL HG11 . 17577 1 951 . 1 1 103 103 VAL HG12 H 1 0.92 0.02 . 1 . . . A 103 VAL HG12 . 17577 1 952 . 1 1 103 103 VAL HG13 H 1 0.92 0.02 . 1 . . . A 103 VAL HG13 . 17577 1 953 . 1 1 103 103 VAL HG21 H 1 0.71 0.02 . 1 . . . A 103 VAL HG21 . 17577 1 954 . 1 1 103 103 VAL HG22 H 1 0.71 0.02 . 1 . . . A 103 VAL HG22 . 17577 1 955 . 1 1 103 103 VAL HG23 H 1 0.71 0.02 . 1 . . . A 103 VAL HG23 . 17577 1 956 . 1 1 103 103 VAL C C 13 175.7 0.3 . 1 . . . A 103 VAL C . 17577 1 957 . 1 1 103 103 VAL CA C 13 62.4 0.3 . 1 . . . A 103 VAL CA . 17577 1 958 . 1 1 103 103 VAL CB C 13 33.4 0.3 . 1 . . . A 103 VAL CB . 17577 1 959 . 1 1 103 103 VAL CG1 C 13 22.1 0.3 . 1 . . . A 103 VAL CG1 . 17577 1 960 . 1 1 103 103 VAL CG2 C 13 21.7 0.3 . 1 . . . A 103 VAL CG2 . 17577 1 961 . 1 1 103 103 VAL N N 15 122.1 0.3 . 1 . . . A 103 VAL N . 17577 1 962 . 1 1 104 104 LYS H H 1 8.98 0.02 . 1 . . . A 104 LYS H . 17577 1 963 . 1 1 104 104 LYS HA H 1 4.46 0.02 . 1 . . . A 104 LYS HA . 17577 1 964 . 1 1 104 104 LYS C C 13 175.4 0.3 . 1 . . . A 104 LYS C . 17577 1 965 . 1 1 104 104 LYS CA C 13 56.0 0.3 . 1 . . . A 104 LYS CA . 17577 1 966 . 1 1 104 104 LYS CB C 13 36.4 0.3 . 1 . . . A 104 LYS CB . 17577 1 967 . 1 1 104 104 LYS N N 15 130.1 0.3 . 1 . . . A 104 LYS N . 17577 1 968 . 1 1 106 106 GLY H H 1 8.33 0.02 . 1 . . . A 106 GLY H . 17577 1 969 . 1 1 106 106 GLY HA2 H 1 4.08 0.02 . 2 . . . A 106 GLY HA2 . 17577 1 970 . 1 1 106 106 GLY HA3 H 1 3.52 0.02 . 2 . . . A 106 GLY HA3 . 17577 1 971 . 1 1 106 106 GLY CA C 13 46.4 0.3 . 1 . . . A 106 GLY CA . 17577 1 972 . 1 1 106 106 GLY N N 15 103.0 0.3 . 1 . . . A 106 GLY N . 17577 1 973 . 1 1 107 107 ARG H H 1 7.88 0.02 . 1 . . . A 107 ARG H . 17577 1 974 . 1 1 107 107 ARG HA H 1 4.67 0.02 . 1 . . . A 107 ARG HA . 17577 1 975 . 1 1 107 107 ARG C C 13 174.5 0.3 . 1 . . . A 107 ARG C . 17577 1 976 . 1 1 107 107 ARG CA C 13 55.4 0.3 . 1 . . . A 107 ARG CA . 17577 1 977 . 1 1 107 107 ARG CB C 13 33.2 0.3 . 1 . . . A 107 ARG CB . 17577 1 978 . 1 1 107 107 ARG CG C 13 28.0 0.3 . 1 . . . A 107 ARG CG . 17577 1 979 . 1 1 107 107 ARG CD C 13 44.3 0.3 . 1 . . . A 107 ARG CD . 17577 1 980 . 1 1 107 107 ARG N N 15 121.3 0.3 . 1 . . . A 107 ARG N . 17577 1 981 . 1 1 108 108 THR H H 1 8.65 0.02 . 1 . . . A 108 THR H . 17577 1 982 . 1 1 108 108 THR HA H 1 4.49 0.02 . 1 . . . A 108 THR HA . 17577 1 983 . 1 1 108 108 THR HB H 1 3.94 0.02 . 1 . . . A 108 THR HB . 17577 1 984 . 1 1 108 108 THR HG21 H 1 0.89 0.02 . 1 . . . A 108 THR HG21 . 17577 1 985 . 1 1 108 108 THR HG22 H 1 0.89 0.02 . 1 . . . A 108 THR HG22 . 17577 1 986 . 1 1 108 108 THR HG23 H 1 0.89 0.02 . 1 . . . A 108 THR HG23 . 17577 1 987 . 1 1 108 108 THR C C 13 173.4 0.3 . 1 . . . A 108 THR C . 17577 1 988 . 1 1 108 108 THR CA C 13 64.1 0.3 . 1 . . . A 108 THR CA . 17577 1 989 . 1 1 108 108 THR CB C 13 69.8 0.3 . 1 . . . A 108 THR CB . 17577 1 990 . 1 1 108 108 THR CG2 C 13 23.1 0.3 . 1 . . . A 108 THR CG2 . 17577 1 991 . 1 1 108 108 THR N N 15 118.8 0.3 . 1 . . . A 108 THR N . 17577 1 992 . 1 1 109 109 LEU H H 1 9.22 0.02 . 1 . . . A 109 LEU H . 17577 1 993 . 1 1 109 109 LEU HA H 1 4.73 0.02 . 1 . . . A 109 LEU HA . 17577 1 994 . 1 1 109 109 LEU HB2 H 1 1.75 0.02 . 2 . . . A 109 LEU HB2 . 17577 1 995 . 1 1 109 109 LEU HB3 H 1 1.61 0.02 . 2 . . . A 109 LEU HB3 . 17577 1 996 . 1 1 109 109 LEU HG H 1 1.53 0.02 . 1 . . . A 109 LEU HG . 17577 1 997 . 1 1 109 109 LEU HD11 H 1 0.87 0.02 . 1 . . . A 109 LEU HD11 . 17577 1 998 . 1 1 109 109 LEU HD12 H 1 0.87 0.02 . 1 . . . A 109 LEU HD12 . 17577 1 999 . 1 1 109 109 LEU HD13 H 1 0.87 0.02 . 1 . . . A 109 LEU HD13 . 17577 1 1000 . 1 1 109 109 LEU HD21 H 1 0.58 0.02 . 1 . . . A 109 LEU HD21 . 17577 1 1001 . 1 1 109 109 LEU HD22 H 1 0.58 0.02 . 1 . . . A 109 LEU HD22 . 17577 1 1002 . 1 1 109 109 LEU HD23 H 1 0.58 0.02 . 1 . . . A 109 LEU HD23 . 17577 1 1003 . 1 1 109 109 LEU C C 13 175.7 0.3 . 1 . . . A 109 LEU C . 17577 1 1004 . 1 1 109 109 LEU CA C 13 54.3 0.3 . 1 . . . A 109 LEU CA . 17577 1 1005 . 1 1 109 109 LEU CB C 13 46.5 0.3 . 1 . . . A 109 LEU CB . 17577 1 1006 . 1 1 109 109 LEU CG C 13 27.9 0.3 . 1 . . . A 109 LEU CG . 17577 1 1007 . 1 1 109 109 LEU CD1 C 13 23.9 0.3 . 1 . . . A 109 LEU CD1 . 17577 1 1008 . 1 1 109 109 LEU CD2 C 13 26.4 0.3 . 1 . . . A 109 LEU CD2 . 17577 1 1009 . 1 1 109 109 LEU N N 15 128.9 0.3 . 1 . . . A 109 LEU N . 17577 1 1010 . 1 1 110 110 HIS H H 1 8.49 0.02 . 1 . . . A 110 HIS H . 17577 1 1011 . 1 1 110 110 HIS HA H 1 6.04 0.02 . 1 . . . A 110 HIS HA . 17577 1 1012 . 1 1 110 110 HIS HB2 H 1 3.07 0.02 . 2 . . . A 110 HIS HB2 . 17577 1 1013 . 1 1 110 110 HIS HB3 H 1 2.95 0.02 . 2 . . . A 110 HIS HB3 . 17577 1 1014 . 1 1 110 110 HIS C C 13 175.3 0.3 . 1 . . . A 110 HIS C . 17577 1 1015 . 1 1 110 110 HIS CA C 13 55.3 0.3 . 1 . . . A 110 HIS CA . 17577 1 1016 . 1 1 110 110 HIS CB C 13 34.5 0.3 . 1 . . . A 110 HIS CB . 17577 1 1017 . 1 1 110 110 HIS N N 15 116.2 0.3 . 1 . . . A 110 HIS N . 17577 1 1018 . 1 1 111 111 MET H H 1 9.09 0.02 . 1 . . . A 111 MET H . 17577 1 1019 . 1 1 111 111 MET HA H 1 4.55 0.02 . 1 . . . A 111 MET HA . 17577 1 1020 . 1 1 111 111 MET HB2 H 1 1.46 0.02 . 2 . . . A 111 MET HB2 . 17577 1 1021 . 1 1 111 111 MET HB3 H 1 1.12 0.02 . 2 . . . A 111 MET HB3 . 17577 1 1022 . 1 1 111 111 MET HE1 H 1 1.23 0.02 . 1 . . . A 111 MET HE1 . 17577 1 1023 . 1 1 111 111 MET HE2 H 1 1.23 0.02 . 1 . . . A 111 MET HE2 . 17577 1 1024 . 1 1 111 111 MET HE3 H 1 1.23 0.02 . 1 . . . A 111 MET HE3 . 17577 1 1025 . 1 1 111 111 MET C C 13 174.0 0.3 . 1 . . . A 111 MET C . 17577 1 1026 . 1 1 111 111 MET CA C 13 56.6 0.3 . 1 . . . A 111 MET CA . 17577 1 1027 . 1 1 111 111 MET CB C 13 37.8 0.3 . 1 . . . A 111 MET CB . 17577 1 1028 . 1 1 111 111 MET CG C 13 30.3 0.3 . 1 . . . A 111 MET CG . 17577 1 1029 . 1 1 111 111 MET CE C 13 15.5 0.3 . 1 . . . A 111 MET CE . 17577 1 1030 . 1 1 111 111 MET N N 15 123.4 0.3 . 1 . . . A 111 MET N . 17577 1 1031 . 1 1 112 112 MET H H 1 9.12 0.02 . 1 . . . A 112 MET H . 17577 1 1032 . 1 1 112 112 MET HA H 1 5.67 0.02 . 1 . . . A 112 MET HA . 17577 1 1033 . 1 1 112 112 MET HE1 H 1 1.58 0.02 . 1 . . . A 112 MET HE1 . 17577 1 1034 . 1 1 112 112 MET HE2 H 1 1.58 0.02 . 1 . . . A 112 MET HE2 . 17577 1 1035 . 1 1 112 112 MET HE3 H 1 1.58 0.02 . 1 . . . A 112 MET HE3 . 17577 1 1036 . 1 1 112 112 MET C C 13 175.4 0.3 . 1 . . . A 112 MET C . 17577 1 1037 . 1 1 112 112 MET CA C 13 55.1 0.3 . 1 . . . A 112 MET CA . 17577 1 1038 . 1 1 112 112 MET CB C 13 37.2 0.3 . 1 . . . A 112 MET CB . 17577 1 1039 . 1 1 112 112 MET CG C 13 34.5 0.3 . 1 . . . A 112 MET CG . 17577 1 1040 . 1 1 112 112 MET CE C 13 17.5 0.3 . 1 . . . A 112 MET CE . 17577 1 1041 . 1 1 112 112 MET N N 15 122.9 0.3 . 1 . . . A 112 MET N . 17577 1 1042 . 1 1 113 113 ARG H H 1 9.39 0.02 . 1 . . . A 113 ARG H . 17577 1 1043 . 1 1 113 113 ARG HA H 1 5.05 0.02 . 1 . . . A 113 ARG HA . 17577 1 1044 . 1 1 113 113 ARG HB2 H 1 1.60 0.02 . 2 . . . A 113 ARG HB2 . 17577 1 1045 . 1 1 113 113 ARG HB3 H 1 1.21 0.02 . 2 . . . A 113 ARG HB3 . 17577 1 1046 . 1 1 113 113 ARG C C 13 173.8 0.3 . 1 . . . A 113 ARG C . 17577 1 1047 . 1 1 113 113 ARG CA C 13 56.0 0.3 . 1 . . . A 113 ARG CA . 17577 1 1048 . 1 1 113 113 ARG CB C 13 38.6 0.3 . 1 . . . A 113 ARG CB . 17577 1 1049 . 1 1 113 113 ARG CG C 13 30.4 0.3 . 1 . . . A 113 ARG CG . 17577 1 1050 . 1 1 113 113 ARG CD C 13 43.9 0.3 . 1 . . . A 113 ARG CD . 17577 1 1051 . 1 1 113 113 ARG N N 15 119.5 0.3 . 1 . . . A 113 ARG N . 17577 1 1052 . 1 1 114 114 LEU H H 1 8.02 0.02 . 1 . . . A 114 LEU H . 17577 1 1053 . 1 1 114 114 LEU HA H 1 5.03 0.02 . 1 . . . A 114 LEU HA . 17577 1 1054 . 1 1 114 114 LEU HD11 H 1 1.02 0.02 . 1 . . . A 114 LEU HD11 . 17577 1 1055 . 1 1 114 114 LEU HD12 H 1 1.02 0.02 . 1 . . . A 114 LEU HD12 . 17577 1 1056 . 1 1 114 114 LEU HD13 H 1 1.02 0.02 . 1 . . . A 114 LEU HD13 . 17577 1 1057 . 1 1 114 114 LEU HD21 H 1 0.49 0.02 . 1 . . . A 114 LEU HD21 . 17577 1 1058 . 1 1 114 114 LEU HD22 H 1 0.49 0.02 . 1 . . . A 114 LEU HD22 . 17577 1 1059 . 1 1 114 114 LEU HD23 H 1 0.49 0.02 . 1 . . . A 114 LEU HD23 . 17577 1 1060 . 1 1 114 114 LEU C C 13 174.2 0.3 . 1 . . . A 114 LEU C . 17577 1 1061 . 1 1 114 114 LEU CA C 13 54.1 0.3 . 1 . . . A 114 LEU CA . 17577 1 1062 . 1 1 114 114 LEU CB C 13 43.9 0.3 . 1 . . . A 114 LEU CB . 17577 1 1063 . 1 1 114 114 LEU CD1 C 13 24.0 0.3 . 1 . . . A 114 LEU CD1 . 17577 1 1064 . 1 1 114 114 LEU CD2 C 13 26.7 0.3 . 1 . . . A 114 LEU CD2 . 17577 1 1065 . 1 1 114 114 LEU N N 15 124.4 0.3 . 1 . . . A 114 LEU N . 17577 1 1066 . 1 1 115 115 TYR H H 1 9.54 0.02 . 1 . . . A 115 TYR H . 17577 1 1067 . 1 1 115 115 TYR HA H 1 5.80 0.02 . 1 . . . A 115 TYR HA . 17577 1 1068 . 1 1 115 115 TYR HB2 H 1 2.90 0.02 . 2 . . . A 115 TYR HB2 . 17577 1 1069 . 1 1 115 115 TYR HB3 H 1 2.71 0.02 . 2 . . . A 115 TYR HB3 . 17577 1 1070 . 1 1 115 115 TYR C C 13 176.5 0.3 . 1 . . . A 115 TYR C . 17577 1 1071 . 1 1 115 115 TYR CA C 13 58.0 0.3 . 1 . . . A 115 TYR CA . 17577 1 1072 . 1 1 115 115 TYR CB C 13 42.9 0.3 . 1 . . . A 115 TYR CB . 17577 1 1073 . 1 1 115 115 TYR N N 15 126.0 0.3 . 1 . . . A 115 TYR N . 17577 1 1074 . 1 1 116 116 SER H H 1 9.93 0.02 . 1 . . . A 116 SER H . 17577 1 1075 . 1 1 116 116 SER HA H 1 5.84 0.02 . 1 . . . A 116 SER HA . 17577 1 1076 . 1 1 116 116 SER HB2 H 1 3.96 0.02 . 2 . . . A 116 SER HB2 . 17577 1 1077 . 1 1 116 116 SER HB3 H 1 3.69 0.02 . 2 . . . A 116 SER HB3 . 17577 1 1078 . 1 1 116 116 SER C C 13 175.4 0.3 . 1 . . . A 116 SER C . 17577 1 1079 . 1 1 116 116 SER CA C 13 56.6 0.3 . 1 . . . A 116 SER CA . 17577 1 1080 . 1 1 116 116 SER CB C 13 67.7 0.3 . 1 . . . A 116 SER CB . 17577 1 1081 . 1 1 116 116 SER N N 15 113.2 0.3 . 1 . . . A 116 SER N . 17577 1 1082 . 1 1 117 117 ARG H H 1 8.35 0.02 . 1 . . . A 117 ARG H . 17577 1 1083 . 1 1 117 117 ARG HA H 1 3.68 0.02 . 1 . . . A 117 ARG HA . 17577 1 1084 . 1 1 117 117 ARG HB2 H 1 1.87 0.02 . 2 . . . A 117 ARG HB2 . 17577 1 1085 . 1 1 117 117 ARG HB3 H 1 1.43 0.02 . 2 . . . A 117 ARG HB3 . 17577 1 1086 . 1 1 117 117 ARG C C 13 175.4 0.3 . 1 . . . A 117 ARG C . 17577 1 1087 . 1 1 117 117 ARG CA C 13 58.3 0.3 . 1 . . . A 117 ARG CA . 17577 1 1088 . 1 1 117 117 ARG CB C 13 32.5 0.3 . 1 . . . A 117 ARG CB . 17577 1 1089 . 1 1 117 117 ARG CG C 13 26.9 0.3 . 1 . . . A 117 ARG CG . 17577 1 1090 . 1 1 117 117 ARG CD C 13 43.4 0.3 . 1 . . . A 117 ARG CD . 17577 1 1091 . 1 1 117 117 ARG N N 15 130.5 0.3 . 1 . . . A 117 ARG N . 17577 1 1092 . 1 1 118 118 SER H H 1 7.98 0.02 . 1 . . . A 118 SER H . 17577 1 1093 . 1 1 118 118 SER HA H 1 4.99 0.02 . 1 . . . A 118 SER HA . 17577 1 1094 . 1 1 118 118 SER HB2 H 1 3.96 0.02 . 2 . . . A 118 SER HB2 . 17577 1 1095 . 1 1 118 118 SER HB3 H 1 3.68 0.02 . 2 . . . A 118 SER HB3 . 17577 1 1096 . 1 1 118 118 SER C C 13 173.4 0.3 . 1 . . . A 118 SER C . 17577 1 1097 . 1 1 118 118 SER CA C 13 54.8 0.3 . 1 . . . A 118 SER CA . 17577 1 1098 . 1 1 118 118 SER CB C 13 65.8 0.3 . 1 . . . A 118 SER CB . 17577 1 1099 . 1 1 118 118 SER N N 15 111.3 0.3 . 1 . . . A 118 SER N . 17577 1 1100 . 1 1 119 119 PRO HA H 1 3.97 0.02 . 1 . . . A 119 PRO HA . 17577 1 1101 . 1 1 119 119 PRO HB2 H 1 1.40 0.02 . 2 . . . A 119 PRO HB2 . 17577 1 1102 . 1 1 119 119 PRO HB3 H 1 1.20 0.02 . 2 . . . A 119 PRO HB3 . 17577 1 1103 . 1 1 119 119 PRO HG2 H 1 1.60 0.02 . 2 . . . A 119 PRO HG2 . 17577 1 1104 . 1 1 119 119 PRO HG3 H 1 1.15 0.02 . 2 . . . A 119 PRO HG3 . 17577 1 1105 . 1 1 119 119 PRO HD2 H 1 3.65 0.02 . 2 . . . A 119 PRO HD2 . 17577 1 1106 . 1 1 119 119 PRO HD3 H 1 3.08 0.02 . 2 . . . A 119 PRO HD3 . 17577 1 1107 . 1 1 119 119 PRO C C 13 175.5 0.3 . 1 . . . A 119 PRO C . 17577 1 1108 . 1 1 119 119 PRO CA C 13 65.1 0.3 . 1 . . . A 119 PRO CA . 17577 1 1109 . 1 1 119 119 PRO CB C 13 32.2 0.3 . 1 . . . A 119 PRO CB . 17577 1 1110 . 1 1 119 119 PRO CG C 13 27.1 0.3 . 1 . . . A 119 PRO CG . 17577 1 1111 . 1 1 119 119 PRO CD C 13 51.1 0.3 . 1 . . . A 119 PRO CD . 17577 1 1112 . 1 1 120 120 GLU H H 1 7.41 0.02 . 1 . . . A 120 GLU H . 17577 1 1113 . 1 1 120 120 GLU HA H 1 4.26 0.02 . 1 . . . A 120 GLU HA . 17577 1 1114 . 1 1 120 120 GLU HB2 H 1 1.83 0.02 . 2 . . . A 120 GLU HB2 . 17577 1 1115 . 1 1 120 120 GLU HB3 H 1 1.77 0.02 . 2 . . . A 120 GLU HB3 . 17577 1 1116 . 1 1 120 120 GLU HG2 H 1 2.33 0.02 . 2 . . . A 120 GLU HG2 . 17577 1 1117 . 1 1 120 120 GLU HG3 H 1 2.25 0.02 . 2 . . . A 120 GLU HG3 . 17577 1 1118 . 1 1 120 120 GLU C C 13 174.5 0.3 . 1 . . . A 120 GLU C . 17577 1 1119 . 1 1 120 120 GLU CA C 13 55.8 0.3 . 1 . . . A 120 GLU CA . 17577 1 1120 . 1 1 120 120 GLU CB C 13 29.7 0.3 . 1 . . . A 120 GLU CB . 17577 1 1121 . 1 1 120 120 GLU CG C 13 37.1 0.3 . 1 . . . A 120 GLU CG . 17577 1 1122 . 1 1 120 120 GLU N N 15 117.5 0.3 . 1 . . . A 120 GLU N . 17577 1 1123 . 1 1 121 121 VAL H H 1 7.90 0.02 . 1 . . . A 121 VAL H . 17577 1 1124 . 1 1 121 121 VAL HA H 1 4.14 0.02 . 1 . . . A 121 VAL HA . 17577 1 1125 . 1 1 121 121 VAL HB H 1 1.85 0.02 . 1 . . . A 121 VAL HB . 17577 1 1126 . 1 1 121 121 VAL HG11 H 1 1.11 0.02 . 1 . . . A 121 VAL HG11 . 17577 1 1127 . 1 1 121 121 VAL HG12 H 1 1.11 0.02 . 1 . . . A 121 VAL HG12 . 17577 1 1128 . 1 1 121 121 VAL HG13 H 1 1.11 0.02 . 1 . . . A 121 VAL HG13 . 17577 1 1129 . 1 1 121 121 VAL HG21 H 1 0.78 0.02 . 1 . . . A 121 VAL HG21 . 17577 1 1130 . 1 1 121 121 VAL HG22 H 1 0.78 0.02 . 1 . . . A 121 VAL HG22 . 17577 1 1131 . 1 1 121 121 VAL HG23 H 1 0.78 0.02 . 1 . . . A 121 VAL HG23 . 17577 1 1132 . 1 1 121 121 VAL C C 13 174.4 0.3 . 1 . . . A 121 VAL C . 17577 1 1133 . 1 1 121 121 VAL CA C 13 61.7 0.3 . 1 . . . A 121 VAL CA . 17577 1 1134 . 1 1 121 121 VAL CB C 13 34.1 0.3 . 1 . . . A 121 VAL CB . 17577 1 1135 . 1 1 121 121 VAL CG1 C 13 23.5 0.3 . 1 . . . A 121 VAL CG1 . 17577 1 1136 . 1 1 121 121 VAL CG2 C 13 20.3 0.3 . 1 . . . A 121 VAL CG2 . 17577 1 1137 . 1 1 121 121 VAL N N 15 124.9 0.3 . 1 . . . A 121 VAL N . 17577 1 1138 . 1 1 122 122 SER H H 1 8.68 0.02 . 1 . . . A 122 SER H . 17577 1 1139 . 1 1 122 122 SER HA H 1 4.75 0.02 . 1 . . . A 122 SER HA . 17577 1 1140 . 1 1 122 122 SER HB2 H 1 4.26 0.02 . 2 . . . A 122 SER HB2 . 17577 1 1141 . 1 1 122 122 SER HB3 H 1 3.96 0.02 . 2 . . . A 122 SER HB3 . 17577 1 1142 . 1 1 122 122 SER CA C 13 57.3 0.3 . 1 . . . A 122 SER CA . 17577 1 1143 . 1 1 122 122 SER CB C 13 64.5 0.3 . 1 . . . A 122 SER CB . 17577 1 1144 . 1 1 122 122 SER N N 15 124.5 0.3 . 1 . . . A 122 SER N . 17577 1 1145 . 1 1 123 123 PRO C C 13 175.6 0.3 . 1 . . . A 123 PRO C . 17577 1 1146 . 1 1 123 123 PRO CA C 13 65.9 0.3 . 1 . . . A 123 PRO CA . 17577 1 1147 . 1 1 124 124 ALA H H 1 8.03 0.02 . 1 . . . A 124 ALA H . 17577 1 1148 . 1 1 124 124 ALA HA H 1 4.07 0.02 . 1 . . . A 124 ALA HA . 17577 1 1149 . 1 1 124 124 ALA HB1 H 1 1.31 0.02 . 1 . . . A 124 ALA HB1 . 17577 1 1150 . 1 1 124 124 ALA HB2 H 1 1.31 0.02 . 1 . . . A 124 ALA HB2 . 17577 1 1151 . 1 1 124 124 ALA HB3 H 1 1.31 0.02 . 1 . . . A 124 ALA HB3 . 17577 1 1152 . 1 1 124 124 ALA C C 13 179.9 0.3 . 1 . . . A 124 ALA C . 17577 1 1153 . 1 1 124 124 ALA CA C 13 55.8 0.3 . 1 . . . A 124 ALA CA . 17577 1 1154 . 1 1 124 124 ALA CB C 13 19.1 0.3 . 1 . . . A 124 ALA CB . 17577 1 1155 . 1 1 124 124 ALA N N 15 120.1 0.3 . 1 . . . A 124 ALA N . 17577 1 1156 . 1 1 125 125 ALA H H 1 7.51 0.02 . 1 . . . A 125 ALA H . 17577 1 1157 . 1 1 125 125 ALA HA H 1 3.43 0.02 . 1 . . . A 125 ALA HA . 17577 1 1158 . 1 1 125 125 ALA HB1 H 1 1.14 0.02 . 1 . . . A 125 ALA HB1 . 17577 1 1159 . 1 1 125 125 ALA HB2 H 1 1.14 0.02 . 1 . . . A 125 ALA HB2 . 17577 1 1160 . 1 1 125 125 ALA HB3 H 1 1.14 0.02 . 1 . . . A 125 ALA HB3 . 17577 1 1161 . 1 1 125 125 ALA C C 13 179.2 0.3 . 1 . . . A 125 ALA C . 17577 1 1162 . 1 1 125 125 ALA CA C 13 55.6 0.3 . 1 . . . A 125 ALA CA . 17577 1 1163 . 1 1 125 125 ALA CB C 13 19.2 0.3 . 1 . . . A 125 ALA CB . 17577 1 1164 . 1 1 125 125 ALA N N 15 121.1 0.3 . 1 . . . A 125 ALA N . 17577 1 1165 . 1 1 126 126 THR H H 1 7.82 0.02 . 1 . . . A 126 THR H . 17577 1 1166 . 1 1 126 126 THR HA H 1 4.15 0.02 . 1 . . . A 126 THR HA . 17577 1 1167 . 1 1 126 126 THR HB H 1 3.58 0.02 . 1 . . . A 126 THR HB . 17577 1 1168 . 1 1 126 126 THR HG21 H 1 1.14 0.02 . 1 . . . A 126 THR HG21 . 17577 1 1169 . 1 1 126 126 THR HG22 H 1 1.14 0.02 . 1 . . . A 126 THR HG22 . 17577 1 1170 . 1 1 126 126 THR HG23 H 1 1.14 0.02 . 1 . . . A 126 THR HG23 . 17577 1 1171 . 1 1 126 126 THR C C 13 176.1 0.3 . 1 . . . A 126 THR C . 17577 1 1172 . 1 1 126 126 THR CA C 13 68.9 0.3 . 1 . . . A 126 THR CA . 17577 1 1173 . 1 1 126 126 THR CB C 13 67.7 0.3 . 1 . . . A 126 THR CB . 17577 1 1174 . 1 1 126 126 THR CG2 C 13 23.9 0.3 . 1 . . . A 126 THR CG2 . 17577 1 1175 . 1 1 126 126 THR N N 15 113.2 0.3 . 1 . . . A 126 THR N . 17577 1 1176 . 1 1 127 127 ALA H H 1 7.90 0.02 . 1 . . . A 127 ALA H . 17577 1 1177 . 1 1 127 127 ALA HA H 1 4.08 0.02 . 1 . . . A 127 ALA HA . 17577 1 1178 . 1 1 127 127 ALA HB1 H 1 1.44 0.02 . 1 . . . A 127 ALA HB1 . 17577 1 1179 . 1 1 127 127 ALA HB2 H 1 1.44 0.02 . 1 . . . A 127 ALA HB2 . 17577 1 1180 . 1 1 127 127 ALA HB3 H 1 1.44 0.02 . 1 . . . A 127 ALA HB3 . 17577 1 1181 . 1 1 127 127 ALA C C 13 181.1 0.3 . 1 . . . A 127 ALA C . 17577 1 1182 . 1 1 127 127 ALA CA C 13 56.2 0.3 . 1 . . . A 127 ALA CA . 17577 1 1183 . 1 1 127 127 ALA CB C 13 18.7 0.3 . 1 . . . A 127 ALA CB . 17577 1 1184 . 1 1 127 127 ALA N N 15 123.1 0.3 . 1 . . . A 127 ALA N . 17577 1 1185 . 1 1 128 128 ILE H H 1 7.64 0.02 . 1 . . . A 128 ILE H . 17577 1 1186 . 1 1 128 128 ILE HA H 1 3.74 0.02 . 1 . . . A 128 ILE HA . 17577 1 1187 . 1 1 128 128 ILE HB H 1 1.70 0.02 . 1 . . . A 128 ILE HB . 17577 1 1188 . 1 1 128 128 ILE HG12 H 1 1.59 0.02 . 2 . . . A 128 ILE HG12 . 17577 1 1189 . 1 1 128 128 ILE HG13 H 1 1.09 0.02 . 2 . . . A 128 ILE HG13 . 17577 1 1190 . 1 1 128 128 ILE HG21 H 1 0.99 0.02 . 1 . . . A 128 ILE HG21 . 17577 1 1191 . 1 1 128 128 ILE HG22 H 1 0.99 0.02 . 1 . . . A 128 ILE HG22 . 17577 1 1192 . 1 1 128 128 ILE HG23 H 1 0.99 0.02 . 1 . . . A 128 ILE HG23 . 17577 1 1193 . 1 1 128 128 ILE HD11 H 1 0.70 0.02 . 1 . . . A 128 ILE HD11 . 17577 1 1194 . 1 1 128 128 ILE HD12 H 1 0.70 0.02 . 1 . . . A 128 ILE HD12 . 17577 1 1195 . 1 1 128 128 ILE HD13 H 1 0.70 0.02 . 1 . . . A 128 ILE HD13 . 17577 1 1196 . 1 1 128 128 ILE C C 13 177.3 0.3 . 1 . . . A 128 ILE C . 17577 1 1197 . 1 1 128 128 ILE CA C 13 65.6 0.3 . 1 . . . A 128 ILE CA . 17577 1 1198 . 1 1 128 128 ILE CB C 13 39.4 0.3 . 1 . . . A 128 ILE CB . 17577 1 1199 . 1 1 128 128 ILE CG1 C 13 30.5 0.3 . 1 . . . A 128 ILE CG1 . 17577 1 1200 . 1 1 128 128 ILE CG2 C 13 18.7 0.3 . 1 . . . A 128 ILE CG2 . 17577 1 1201 . 1 1 128 128 ILE CD1 C 13 14.3 0.3 . 1 . . . A 128 ILE CD1 . 17577 1 1202 . 1 1 128 128 ILE N N 15 120.9 0.3 . 1 . . . A 128 ILE N . 17577 1 1203 . 1 1 129 129 PHE H H 1 8.25 0.02 . 1 . . . A 129 PHE H . 17577 1 1204 . 1 1 129 129 PHE HA H 1 4.01 0.02 . 1 . . . A 129 PHE HA . 17577 1 1205 . 1 1 129 129 PHE C C 13 176.1 0.3 . 1 . . . A 129 PHE C . 17577 1 1206 . 1 1 129 129 PHE CA C 13 63.3 0.3 . 1 . . . A 129 PHE CA . 17577 1 1207 . 1 1 129 129 PHE CB C 13 40.9 0.3 . 1 . . . A 129 PHE CB . 17577 1 1208 . 1 1 129 129 PHE N N 15 120.3 0.3 . 1 . . . A 129 PHE N . 17577 1 1209 . 1 1 130 130 ARG H H 1 8.65 0.02 . 1 . . . A 130 ARG H . 17577 1 1210 . 1 1 130 130 ARG HA H 1 3.56 0.02 . 1 . . . A 130 ARG HA . 17577 1 1211 . 1 1 130 130 ARG HB2 H 1 1.94 0.02 . 2 . . . A 130 ARG HB2 . 17577 1 1212 . 1 1 130 130 ARG HB3 H 1 1.84 0.02 . 2 . . . A 130 ARG HB3 . 17577 1 1213 . 1 1 130 130 ARG C C 13 179.4 0.3 . 1 . . . A 130 ARG C . 17577 1 1214 . 1 1 130 130 ARG CA C 13 61.1 0.3 . 1 . . . A 130 ARG CA . 17577 1 1215 . 1 1 130 130 ARG CB C 13 30.6 0.3 . 1 . . . A 130 ARG CB . 17577 1 1216 . 1 1 130 130 ARG CG C 13 30.4 0.3 . 1 . . . A 130 ARG CG . 17577 1 1217 . 1 1 130 130 ARG CD C 13 43.9 0.3 . 1 . . . A 130 ARG CD . 17577 1 1218 . 1 1 130 130 ARG N N 15 116.3 0.3 . 1 . . . A 130 ARG N . 17577 1 1219 . 1 1 131 131 LYS H H 1 8.02 0.02 . 1 . . . A 131 LYS H . 17577 1 1220 . 1 1 131 131 LYS HA H 1 4.03 0.02 . 1 . . . A 131 LYS HA . 17577 1 1221 . 1 1 131 131 LYS C C 13 179.3 0.3 . 1 . . . A 131 LYS C . 17577 1 1222 . 1 1 131 131 LYS CA C 13 60.5 0.3 . 1 . . . A 131 LYS CA . 17577 1 1223 . 1 1 131 131 LYS CB C 13 33.2 0.3 . 1 . . . A 131 LYS CB . 17577 1 1224 . 1 1 131 131 LYS CG C 13 25.7 0.3 . 1 . . . A 131 LYS CG . 17577 1 1225 . 1 1 131 131 LYS CD C 13 30.5 0.3 . 1 . . . A 131 LYS CD . 17577 1 1226 . 1 1 131 131 LYS CE C 13 43.2 0.3 . 1 . . . A 131 LYS CE . 17577 1 1227 . 1 1 131 131 LYS N N 15 122.2 0.3 . 1 . . . A 131 LYS N . 17577 1 1228 . 1 1 132 132 LEU H H 1 8.45 0.02 . 1 . . . A 132 LEU H . 17577 1 1229 . 1 1 132 132 LEU HA H 1 3.93 0.02 . 1 . . . A 132 LEU HA . 17577 1 1230 . 1 1 132 132 LEU HD11 H 1 1.16 0.02 . 1 . . . A 132 LEU HD11 . 17577 1 1231 . 1 1 132 132 LEU HD12 H 1 1.16 0.02 . 1 . . . A 132 LEU HD12 . 17577 1 1232 . 1 1 132 132 LEU HD13 H 1 1.16 0.02 . 1 . . . A 132 LEU HD13 . 17577 1 1233 . 1 1 132 132 LEU HD21 H 1 0.87 0.02 . 1 . . . A 132 LEU HD21 . 17577 1 1234 . 1 1 132 132 LEU HD22 H 1 0.87 0.02 . 1 . . . A 132 LEU HD22 . 17577 1 1235 . 1 1 132 132 LEU HD23 H 1 0.87 0.02 . 1 . . . A 132 LEU HD23 . 17577 1 1236 . 1 1 132 132 LEU C C 13 179.6 0.3 . 1 . . . A 132 LEU C . 17577 1 1237 . 1 1 132 132 LEU CA C 13 58.6 0.3 . 1 . . . A 132 LEU CA . 17577 1 1238 . 1 1 132 132 LEU CB C 13 42.5 0.3 . 1 . . . A 132 LEU CB . 17577 1 1239 . 1 1 132 132 LEU CD1 C 13 28.5 0.3 . 1 . . . A 132 LEU CD1 . 17577 1 1240 . 1 1 132 132 LEU CD2 C 13 23.5 0.3 . 1 . . . A 132 LEU CD2 . 17577 1 1241 . 1 1 132 132 LEU N N 15 120.3 0.3 . 1 . . . A 132 LEU N . 17577 1 1242 . 1 1 133 133 ALA H H 1 8.75 0.02 . 1 . . . A 133 ALA H . 17577 1 1243 . 1 1 133 133 ALA HA H 1 3.97 0.02 . 1 . . . A 133 ALA HA . 17577 1 1244 . 1 1 133 133 ALA HB1 H 1 0.87 0.02 . 1 . . . A 133 ALA HB1 . 17577 1 1245 . 1 1 133 133 ALA HB2 H 1 0.87 0.02 . 1 . . . A 133 ALA HB2 . 17577 1 1246 . 1 1 133 133 ALA HB3 H 1 0.87 0.02 . 1 . . . A 133 ALA HB3 . 17577 1 1247 . 1 1 133 133 ALA C C 13 180.4 0.3 . 1 . . . A 133 ALA C . 17577 1 1248 . 1 1 133 133 ALA CA C 13 56.0 0.3 . 1 . . . A 133 ALA CA . 17577 1 1249 . 1 1 133 133 ALA CB C 13 16.9 0.3 . 1 . . . A 133 ALA CB . 17577 1 1250 . 1 1 133 133 ALA N N 15 122.4 0.3 . 1 . . . A 133 ALA N . 17577 1 1251 . 1 1 134 134 GLY H H 1 8.13 0.02 . 1 . . . A 134 GLY H . 17577 1 1252 . 1 1 134 134 GLY C C 13 178.2 0.3 . 1 . . . A 134 GLY C . 17577 1 1253 . 1 1 134 134 GLY CA C 13 48.1 0.3 . 1 . . . A 134 GLY CA . 17577 1 1254 . 1 1 134 134 GLY N N 15 107.4 0.3 . 1 . . . A 134 GLY N . 17577 1 1255 . 1 1 135 135 GLU H H 1 7.73 0.02 . 1 . . . A 135 GLU H . 17577 1 1256 . 1 1 135 135 GLU HA H 1 4.05 0.02 . 1 . . . A 135 GLU HA . 17577 1 1257 . 1 1 135 135 GLU C C 13 177.4 0.3 . 1 . . . A 135 GLU C . 17577 1 1258 . 1 1 135 135 GLU CA C 13 59.3 0.3 . 1 . . . A 135 GLU CA . 17577 1 1259 . 1 1 135 135 GLU CB C 13 30.4 0.3 . 1 . . . A 135 GLU CB . 17577 1 1260 . 1 1 135 135 GLU CG C 13 37.6 0.3 . 1 . . . A 135 GLU CG . 17577 1 1261 . 1 1 135 135 GLU N N 15 121.9 0.3 . 1 . . . A 135 GLU N . 17577 1 1262 . 1 1 136 136 ARG H H 1 7.13 0.02 . 1 . . . A 136 ARG H . 17577 1 1263 . 1 1 136 136 ARG HA H 1 4.15 0.02 . 1 . . . A 136 ARG HA . 17577 1 1264 . 1 1 136 136 ARG C C 13 173.5 0.3 . 1 . . . A 136 ARG C . 17577 1 1265 . 1 1 136 136 ARG CA C 13 55.8 0.3 . 1 . . . A 136 ARG CA . 17577 1 1266 . 1 1 136 136 ARG CB C 13 28.9 0.3 . 1 . . . A 136 ARG CB . 17577 1 1267 . 1 1 136 136 ARG CG C 13 29.4 0.3 . 1 . . . A 136 ARG CG . 17577 1 1268 . 1 1 136 136 ARG CD C 13 43.9 0.3 . 1 . . . A 136 ARG CD . 17577 1 1269 . 1 1 136 136 ARG N N 15 118.0 0.3 . 1 . . . A 136 ARG N . 17577 1 1270 . 1 1 137 137 ASN H H 1 7.56 0.02 . 1 . . . A 137 ASN H . 17577 1 1271 . 1 1 137 137 ASN HA H 1 4.15 0.02 . 1 . . . A 137 ASN HA . 17577 1 1272 . 1 1 137 137 ASN HB2 H 1 2.88 0.02 . 2 . . . A 137 ASN HB2 . 17577 1 1273 . 1 1 137 137 ASN HB3 H 1 2.81 0.02 . 2 . . . A 137 ASN HB3 . 17577 1 1274 . 1 1 137 137 ASN HD21 H 1 7.34 0.02 . 1 . . . A 137 ASN HD21 . 17577 1 1275 . 1 1 137 137 ASN HD22 H 1 6.77 0.02 . 1 . . . A 137 ASN HD22 . 17577 1 1276 . 1 1 137 137 ASN C C 13 174.2 0.3 . 1 . . . A 137 ASN C . 17577 1 1277 . 1 1 137 137 ASN CA C 13 56.0 0.3 . 1 . . . A 137 ASN CA . 17577 1 1278 . 1 1 137 137 ASN CB C 13 37.2 0.3 . 1 . . . A 137 ASN CB . 17577 1 1279 . 1 1 137 137 ASN N N 15 109.6 0.3 . 1 . . . A 137 ASN N . 17577 1 1280 . 1 1 137 137 ASN ND2 N 15 112.6 0.3 . 1 . . . A 137 ASN ND2 . 17577 1 1281 . 1 1 138 138 TYR H H 1 8.02 0.02 . 1 . . . A 138 TYR H . 17577 1 1282 . 1 1 138 138 TYR HA H 1 5.29 0.02 . 1 . . . A 138 TYR HA . 17577 1 1283 . 1 1 138 138 TYR C C 13 175.9 0.3 . 1 . . . A 138 TYR C . 17577 1 1284 . 1 1 138 138 TYR CA C 13 57.7 0.3 . 1 . . . A 138 TYR CA . 17577 1 1285 . 1 1 138 138 TYR CB C 13 37.6 0.3 . 1 . . . A 138 TYR CB . 17577 1 1286 . 1 1 138 138 TYR CD1 C 13 132.8 0.3 . 1 . . . A 138 TYR CD1 . 17577 1 1287 . 1 1 138 138 TYR CE1 C 13 117.3 0.3 . 1 . . . A 138 TYR CE1 . 17577 1 1288 . 1 1 138 138 TYR N N 15 118.6 0.3 . 1 . . . A 138 TYR N . 17577 1 1289 . 1 1 139 139 THR H H 1 7.74 0.02 . 1 . . . A 139 THR H . 17577 1 1290 . 1 1 139 139 THR HA H 1 4.42 0.02 . 1 . . . A 139 THR HA . 17577 1 1291 . 1 1 139 139 THR HB H 1 4.70 0.02 . 1 . . . A 139 THR HB . 17577 1 1292 . 1 1 139 139 THR HG21 H 1 1.25 0.02 . 1 . . . A 139 THR HG21 . 17577 1 1293 . 1 1 139 139 THR HG22 H 1 1.25 0.02 . 1 . . . A 139 THR HG22 . 17577 1 1294 . 1 1 139 139 THR HG23 H 1 1.25 0.02 . 1 . . . A 139 THR HG23 . 17577 1 1295 . 1 1 139 139 THR C C 13 175.5 0.3 . 1 . . . A 139 THR C . 17577 1 1296 . 1 1 139 139 THR CA C 13 61.4 0.3 . 1 . . . A 139 THR CA . 17577 1 1297 . 1 1 139 139 THR CB C 13 71.4 0.3 . 1 . . . A 139 THR CB . 17577 1 1298 . 1 1 139 139 THR CG2 C 13 23.1 0.3 . 1 . . . A 139 THR CG2 . 17577 1 1299 . 1 1 139 139 THR N N 15 115.0 0.3 . 1 . . . A 139 THR N . 17577 1 1300 . 1 1 140 140 ASP H H 1 8.63 0.02 . 1 . . . A 140 ASP H . 17577 1 1301 . 1 1 140 140 ASP HA H 1 4.26 0.02 . 1 . . . A 140 ASP HA . 17577 1 1302 . 1 1 140 140 ASP C C 13 178.4 0.3 . 1 . . . A 140 ASP C . 17577 1 1303 . 1 1 140 140 ASP CA C 13 59.0 0.3 . 1 . . . A 140 ASP CA . 17577 1 1304 . 1 1 140 140 ASP CB C 13 41.8 0.3 . 1 . . . A 140 ASP CB . 17577 1 1305 . 1 1 140 140 ASP N N 15 117.9 0.3 . 1 . . . A 140 ASP N . 17577 1 1306 . 1 1 141 141 GLU H H 1 8.50 0.02 . 1 . . . A 141 GLU H . 17577 1 1307 . 1 1 141 141 GLU HA H 1 4.27 0.02 . 1 . . . A 141 GLU HA . 17577 1 1308 . 1 1 141 141 GLU HB2 H 1 2.11 0.02 . 2 . . . A 141 GLU HB2 . 17577 1 1309 . 1 1 141 141 GLU HB3 H 1 2.03 0.02 . 2 . . . A 141 GLU HB3 . 17577 1 1310 . 1 1 141 141 GLU C C 13 176.2 0.3 . 1 . . . A 141 GLU C . 17577 1 1311 . 1 1 141 141 GLU CA C 13 59.1 0.3 . 1 . . . A 141 GLU CA . 17577 1 1312 . 1 1 141 141 GLU CB C 13 30.1 0.3 . 1 . . . A 141 GLU CB . 17577 1 1313 . 1 1 141 141 GLU CG C 13 37.6 0.3 . 1 . . . A 141 GLU CG . 17577 1 1314 . 1 1 141 141 GLU N N 15 116.8 0.3 . 1 . . . A 141 GLU N . 17577 1 1315 . 1 1 142 142 MET H H 1 7.96 0.02 . 1 . . . A 142 MET H . 17577 1 1316 . 1 1 142 142 MET HA H 1 4.49 0.02 . 1 . . . A 142 MET HA . 17577 1 1317 . 1 1 142 142 MET HG2 H 1 2.85 0.02 . 2 . . . A 142 MET HG2 . 17577 1 1318 . 1 1 142 142 MET HG3 H 1 2.71 0.02 . 2 . . . A 142 MET HG3 . 17577 1 1319 . 1 1 142 142 MET HE1 H 1 2.36 0.02 . 1 . . . A 142 MET HE1 . 17577 1 1320 . 1 1 142 142 MET HE2 H 1 2.36 0.02 . 1 . . . A 142 MET HE2 . 17577 1 1321 . 1 1 142 142 MET HE3 H 1 2.36 0.02 . 1 . . . A 142 MET HE3 . 17577 1 1322 . 1 1 142 142 MET C C 13 172.9 0.3 . 1 . . . A 142 MET C . 17577 1 1323 . 1 1 142 142 MET CA C 13 57.1 0.3 . 1 . . . A 142 MET CA . 17577 1 1324 . 1 1 142 142 MET CB C 13 33.4 0.3 . 1 . . . A 142 MET CB . 17577 1 1325 . 1 1 142 142 MET CG C 13 35.3 0.3 . 1 . . . A 142 MET CG . 17577 1 1326 . 1 1 142 142 MET CE C 13 19.9 0.3 . 1 . . . A 142 MET CE . 17577 1 1327 . 1 1 142 142 MET N N 15 117.4 0.3 . 1 . . . A 142 MET N . 17577 1 1328 . 1 1 143 143 VAL H H 1 7.12 0.02 . 1 . . . A 143 VAL H . 17577 1 1329 . 1 1 143 143 VAL HA H 1 4.79 0.02 . 1 . . . A 143 VAL HA . 17577 1 1330 . 1 1 143 143 VAL HB H 1 2.11 0.02 . 1 . . . A 143 VAL HB . 17577 1 1331 . 1 1 143 143 VAL HG11 H 1 0.92 0.02 . 1 . . . A 143 VAL HG11 . 17577 1 1332 . 1 1 143 143 VAL HG12 H 1 0.92 0.02 . 1 . . . A 143 VAL HG12 . 17577 1 1333 . 1 1 143 143 VAL HG13 H 1 0.92 0.02 . 1 . . . A 143 VAL HG13 . 17577 1 1334 . 1 1 143 143 VAL HG21 H 1 0.80 0.02 . 1 . . . A 143 VAL HG21 . 17577 1 1335 . 1 1 143 143 VAL HG22 H 1 0.80 0.02 . 1 . . . A 143 VAL HG22 . 17577 1 1336 . 1 1 143 143 VAL HG23 H 1 0.80 0.02 . 1 . . . A 143 VAL HG23 . 17577 1 1337 . 1 1 143 143 VAL C C 13 175.6 0.3 . 1 . . . A 143 VAL C . 17577 1 1338 . 1 1 143 143 VAL CA C 13 62.2 0.3 . 1 . . . A 143 VAL CA . 17577 1 1339 . 1 1 143 143 VAL CB C 13 34.5 0.3 . 1 . . . A 143 VAL CB . 17577 1 1340 . 1 1 143 143 VAL CG1 C 13 22.6 0.3 . 1 . . . A 143 VAL CG1 . 17577 1 1341 . 1 1 143 143 VAL CG2 C 13 21.8 0.3 . 1 . . . A 143 VAL CG2 . 17577 1 1342 . 1 1 143 143 VAL N N 15 116.8 0.3 . 1 . . . A 143 VAL N . 17577 1 1343 . 1 1 144 144 ALA H H 1 9.60 0.02 . 1 . . . A 144 ALA H . 17577 1 1344 . 1 1 144 144 ALA HA H 1 4.81 0.02 . 1 . . . A 144 ALA HA . 17577 1 1345 . 1 1 144 144 ALA HB1 H 1 1.29 0.02 . 1 . . . A 144 ALA HB1 . 17577 1 1346 . 1 1 144 144 ALA HB2 H 1 1.29 0.02 . 1 . . . A 144 ALA HB2 . 17577 1 1347 . 1 1 144 144 ALA HB3 H 1 1.29 0.02 . 1 . . . A 144 ALA HB3 . 17577 1 1348 . 1 1 144 144 ALA C C 13 175.8 0.3 . 1 . . . A 144 ALA C . 17577 1 1349 . 1 1 144 144 ALA CA C 13 51.5 0.3 . 1 . . . A 144 ALA CA . 17577 1 1350 . 1 1 144 144 ALA CB C 13 22.6 0.3 . 1 . . . A 144 ALA CB . 17577 1 1351 . 1 1 144 144 ALA N N 15 131.0 0.3 . 1 . . . A 144 ALA N . 17577 1 1352 . 1 1 145 145 MET H H 1 8.63 0.02 . 1 . . . A 145 MET H . 17577 1 1353 . 1 1 145 145 MET HA H 1 4.89 0.02 . 1 . . . A 145 MET HA . 17577 1 1354 . 1 1 145 145 MET HG2 H 1 2.80 0.02 . 2 . . . A 145 MET HG2 . 17577 1 1355 . 1 1 145 145 MET HG3 H 1 2.46 0.02 . 2 . . . A 145 MET HG3 . 17577 1 1356 . 1 1 145 145 MET HE1 H 1 1.90 0.02 . 1 . . . A 145 MET HE1 . 17577 1 1357 . 1 1 145 145 MET HE2 H 1 1.90 0.02 . 1 . . . A 145 MET HE2 . 17577 1 1358 . 1 1 145 145 MET HE3 H 1 1.90 0.02 . 1 . . . A 145 MET HE3 . 17577 1 1359 . 1 1 145 145 MET C C 13 176.9 0.3 . 1 . . . A 145 MET C . 17577 1 1360 . 1 1 145 145 MET CA C 13 54.0 0.3 . 1 . . . A 145 MET CA . 17577 1 1361 . 1 1 145 145 MET CB C 13 30.1 0.3 . 1 . . . A 145 MET CB . 17577 1 1362 . 1 1 145 145 MET CG C 13 32.4 0.3 . 1 . . . A 145 MET CG . 17577 1 1363 . 1 1 145 145 MET CE C 13 16.9 0.3 . 1 . . . A 145 MET CE . 17577 1 1364 . 1 1 145 145 MET N N 15 122.4 0.3 . 1 . . . A 145 MET N . 17577 1 1365 . 1 1 146 146 LEU H H 1 7.88 0.02 . 1 . . . A 146 LEU H . 17577 1 1366 . 1 1 146 146 LEU HA H 1 4.54 0.02 . 1 . . . A 146 LEU HA . 17577 1 1367 . 1 1 146 146 LEU HB2 H 1 1.67 0.02 . 2 . . . A 146 LEU HB2 . 17577 1 1368 . 1 1 146 146 LEU HB3 H 1 1.02 0.02 . 2 . . . A 146 LEU HB3 . 17577 1 1369 . 1 1 146 146 LEU HG H 1 1.40 0.02 . 1 . . . A 146 LEU HG . 17577 1 1370 . 1 1 146 146 LEU HD11 H 1 0.84 0.02 . 1 . . . A 146 LEU HD11 . 17577 1 1371 . 1 1 146 146 LEU HD12 H 1 0.84 0.02 . 1 . . . A 146 LEU HD12 . 17577 1 1372 . 1 1 146 146 LEU HD13 H 1 0.84 0.02 . 1 . . . A 146 LEU HD13 . 17577 1 1373 . 1 1 146 146 LEU HD21 H 1 0.55 0.02 . 1 . . . A 146 LEU HD21 . 17577 1 1374 . 1 1 146 146 LEU HD22 H 1 0.55 0.02 . 1 . . . A 146 LEU HD22 . 17577 1 1375 . 1 1 146 146 LEU HD23 H 1 0.55 0.02 . 1 . . . A 146 LEU HD23 . 17577 1 1376 . 1 1 146 146 LEU C C 13 174.5 0.3 . 1 . . . A 146 LEU C . 17577 1 1377 . 1 1 146 146 LEU CA C 13 53.9 0.3 . 1 . . . A 146 LEU CA . 17577 1 1378 . 1 1 146 146 LEU CB C 13 42.8 0.3 . 1 . . . A 146 LEU CB . 17577 1 1379 . 1 1 146 146 LEU CG C 13 27.4 0.3 . 1 . . . A 146 LEU CG . 17577 1 1380 . 1 1 146 146 LEU CD1 C 13 25.6 0.3 . 1 . . . A 146 LEU CD1 . 17577 1 1381 . 1 1 146 146 LEU CD2 C 13 23.5 0.3 . 1 . . . A 146 LEU CD2 . 17577 1 1382 . 1 1 146 146 LEU N N 15 125.4 0.3 . 1 . . . A 146 LEU N . 17577 1 1383 . 1 1 147 147 PRO HA H 1 4.58 0.02 . 1 . . . A 147 PRO HA . 17577 1 1384 . 1 1 147 147 PRO HB2 H 1 2.39 0.02 . 2 . . . A 147 PRO HB2 . 17577 1 1385 . 1 1 147 147 PRO HB3 H 1 1.92 0.02 . 2 . . . A 147 PRO HB3 . 17577 1 1386 . 1 1 147 147 PRO C C 13 176.2 0.3 . 1 . . . A 147 PRO C . 17577 1 1387 . 1 1 147 147 PRO CA C 13 63.3 0.3 . 1 . . . A 147 PRO CA . 17577 1 1388 . 1 1 147 147 PRO CB C 13 33.6 0.3 . 1 . . . A 147 PRO CB . 17577 1 1389 . 1 1 147 147 PRO CG C 13 28.3 0.3 . 1 . . . A 147 PRO CG . 17577 1 1390 . 1 1 147 147 PRO CD C 13 52.2 0.3 . 1 . . . A 147 PRO CD . 17577 1 1391 . 1 1 148 148 ARG H H 1 8.54 0.02 . 1 . . . A 148 ARG H . 17577 1 1392 . 1 1 148 148 ARG HA H 1 4.27 0.02 . 1 . . . A 148 ARG HA . 17577 1 1393 . 1 1 148 148 ARG C C 13 175.5 0.3 . 1 . . . A 148 ARG C . 17577 1 1394 . 1 1 148 148 ARG CA C 13 58.3 0.3 . 1 . . . A 148 ARG CA . 17577 1 1395 . 1 1 148 148 ARG CB C 13 32.4 0.3 . 1 . . . A 148 ARG CB . 17577 1 1396 . 1 1 148 148 ARG CG C 13 28.1 0.3 . 1 . . . A 148 ARG CG . 17577 1 1397 . 1 1 148 148 ARG CD C 13 44.8 0.3 . 1 . . . A 148 ARG CD . 17577 1 1398 . 1 1 148 148 ARG N N 15 120.7 0.3 . 1 . . . A 148 ARG N . 17577 1 1399 . 1 1 149 149 GLN H H 1 7.77 0.02 . 1 . . . A 149 GLN H . 17577 1 1400 . 1 1 149 149 GLN HA H 1 4.72 0.02 . 1 . . . A 149 GLN HA . 17577 1 1401 . 1 1 149 149 GLN C C 13 174.3 0.3 . 1 . . . A 149 GLN C . 17577 1 1402 . 1 1 149 149 GLN CA C 13 55.9 0.3 . 1 . . . A 149 GLN CA . 17577 1 1403 . 1 1 149 149 GLN CB C 13 29.7 0.3 . 1 . . . A 149 GLN CB . 17577 1 1404 . 1 1 149 149 GLN CG C 13 37.4 0.3 . 1 . . . A 149 GLN CG . 17577 1 1405 . 1 1 149 149 GLN N N 15 115.0 0.3 . 1 . . . A 149 GLN N . 17577 1 1406 . 1 1 150 150 GLU H H 1 8.57 0.02 . 1 . . . A 150 GLU H . 17577 1 1407 . 1 1 150 150 GLU HA H 1 4.47 0.02 . 1 . . . A 150 GLU HA . 17577 1 1408 . 1 1 150 150 GLU HB2 H 1 2.22 0.02 . 2 . . . A 150 GLU HB2 . 17577 1 1409 . 1 1 150 150 GLU HB3 H 1 1.72 0.02 . 2 . . . A 150 GLU HB3 . 17577 1 1410 . 1 1 150 150 GLU C C 13 175.8 0.3 . 1 . . . A 150 GLU C . 17577 1 1411 . 1 1 150 150 GLU CA C 13 56.3 0.3 . 1 . . . A 150 GLU CA . 17577 1 1412 . 1 1 150 150 GLU CB C 13 32.4 0.3 . 1 . . . A 150 GLU CB . 17577 1 1413 . 1 1 150 150 GLU CG C 13 37.0 0.3 . 1 . . . A 150 GLU CG . 17577 1 1414 . 1 1 150 150 GLU N N 15 117.8 0.3 . 1 . . . A 150 GLU N . 17577 1 1415 . 1 1 151 151 GLU H H 1 8.00 0.02 . 1 . . . A 151 GLU H . 17577 1 1416 . 1 1 151 151 GLU HA H 1 4.26 0.02 . 1 . . . A 151 GLU HA . 17577 1 1417 . 1 1 151 151 GLU C C 13 176.0 0.3 . 1 . . . A 151 GLU C . 17577 1 1418 . 1 1 151 151 GLU CA C 13 59.5 0.3 . 1 . . . A 151 GLU CA . 17577 1 1419 . 1 1 151 151 GLU CB C 13 32.2 0.3 . 1 . . . A 151 GLU CB . 17577 1 1420 . 1 1 151 151 GLU CG C 13 37.7 0.3 . 1 . . . A 151 GLU CG . 17577 1 1421 . 1 1 151 151 GLU N N 15 119.2 0.3 . 1 . . . A 151 GLU N . 17577 1 1422 . 1 1 152 152 CYS H H 1 9.62 0.02 . 1 . . . A 152 CYS H . 17577 1 1423 . 1 1 152 152 CYS HA H 1 5.14 0.02 . 1 . . . A 152 CYS HA . 17577 1 1424 . 1 1 152 152 CYS HB2 H 1 3.09 0.02 . 2 . . . A 152 CYS HB2 . 17577 1 1425 . 1 1 152 152 CYS HB3 H 1 2.60 0.02 . 2 . . . A 152 CYS HB3 . 17577 1 1426 . 1 1 152 152 CYS C C 13 172.8 0.3 . 1 . . . A 152 CYS C . 17577 1 1427 . 1 1 152 152 CYS CA C 13 54.0 0.3 . 1 . . . A 152 CYS CA . 17577 1 1428 . 1 1 152 152 CYS CB C 13 34.9 0.3 . 1 . . . A 152 CYS CB . 17577 1 1429 . 1 1 152 152 CYS N N 15 122.1 0.3 . 1 . . . A 152 CYS N . 17577 1 1430 . 1 1 153 153 THR H H 1 8.49 0.02 . 1 . . . A 153 THR H . 17577 1 1431 . 1 1 153 153 THR HA H 1 4.86 0.02 . 1 . . . A 153 THR HA . 17577 1 1432 . 1 1 153 153 THR HB H 1 4.12 0.02 . 1 . . . A 153 THR HB . 17577 1 1433 . 1 1 153 153 THR HG21 H 1 1.03 0.02 . 1 . . . A 153 THR HG21 . 17577 1 1434 . 1 1 153 153 THR HG22 H 1 1.03 0.02 . 1 . . . A 153 THR HG22 . 17577 1 1435 . 1 1 153 153 THR HG23 H 1 1.03 0.02 . 1 . . . A 153 THR HG23 . 17577 1 1436 . 1 1 153 153 THR C C 13 173.0 0.3 . 1 . . . A 153 THR C . 17577 1 1437 . 1 1 153 153 THR CA C 13 59.8 0.3 . 1 . . . A 153 THR CA . 17577 1 1438 . 1 1 153 153 THR CB C 13 72.5 0.3 . 1 . . . A 153 THR CB . 17577 1 1439 . 1 1 153 153 THR CG2 C 13 21.6 0.3 . 1 . . . A 153 THR CG2 . 17577 1 1440 . 1 1 153 153 THR N N 15 118.0 0.3 . 1 . . . A 153 THR N . 17577 1 1441 . 1 1 154 154 VAL H H 1 6.92 0.02 . 1 . . . A 154 VAL H . 17577 1 1442 . 1 1 154 154 VAL HA H 1 4.12 0.02 . 1 . . . A 154 VAL HA . 17577 1 1443 . 1 1 154 154 VAL HB H 1 1.99 0.02 . 1 . . . A 154 VAL HB . 17577 1 1444 . 1 1 154 154 VAL HG11 H 1 0.67 0.02 . 1 . . . A 154 VAL HG11 . 17577 1 1445 . 1 1 154 154 VAL HG12 H 1 0.67 0.02 . 1 . . . A 154 VAL HG12 . 17577 1 1446 . 1 1 154 154 VAL HG13 H 1 0.67 0.02 . 1 . . . A 154 VAL HG13 . 17577 1 1447 . 1 1 154 154 VAL HG21 H 1 0.70 0.02 . 1 . . . A 154 VAL HG21 . 17577 1 1448 . 1 1 154 154 VAL HG22 H 1 0.70 0.02 . 1 . . . A 154 VAL HG22 . 17577 1 1449 . 1 1 154 154 VAL HG23 H 1 0.70 0.02 . 1 . . . A 154 VAL HG23 . 17577 1 1450 . 1 1 154 154 VAL C C 13 175.5 0.3 . 1 . . . A 154 VAL C . 17577 1 1451 . 1 1 154 154 VAL CA C 13 62.0 0.3 . 1 . . . A 154 VAL CA . 17577 1 1452 . 1 1 154 154 VAL CB C 13 33.1 0.3 . 1 . . . A 154 VAL CB . 17577 1 1453 . 1 1 154 154 VAL CG1 C 13 21.0 0.3 . 1 . . . A 154 VAL CG1 . 17577 1 1454 . 1 1 154 154 VAL CG2 C 13 22.9 0.3 . 1 . . . A 154 VAL CG2 . 17577 1 1455 . 1 1 154 154 VAL N N 15 114.9 0.3 . 1 . . . A 154 VAL N . 17577 1 1456 . 1 1 155 155 ASP H H 1 8.39 0.02 . 1 . . . A 155 ASP H . 17577 1 1457 . 1 1 155 155 ASP HA H 1 4.49 0.02 . 1 . . . A 155 ASP HA . 17577 1 1458 . 1 1 155 155 ASP HB2 H 1 2.66 0.02 . 2 . . . A 155 ASP HB2 . 17577 1 1459 . 1 1 155 155 ASP HB3 H 1 2.42 0.02 . 2 . . . A 155 ASP HB3 . 17577 1 1460 . 1 1 155 155 ASP C C 13 175.8 0.3 . 1 . . . A 155 ASP C . 17577 1 1461 . 1 1 155 155 ASP CA C 13 55.7 0.3 . 1 . . . A 155 ASP CA . 17577 1 1462 . 1 1 155 155 ASP CB C 13 42.3 0.3 . 1 . . . A 155 ASP CB . 17577 1 1463 . 1 1 155 155 ASP N N 15 124.1 0.3 . 1 . . . A 155 ASP N . 17577 1 1464 . 1 1 156 156 GLU H H 1 8.45 0.02 . 1 . . . A 156 GLU H . 17577 1 1465 . 1 1 156 156 GLU HA H 1 4.17 0.02 . 1 . . . A 156 GLU HA . 17577 1 1466 . 1 1 156 156 GLU HB2 H 1 2.03 0.02 . 2 . . . A 156 GLU HB2 . 17577 1 1467 . 1 1 156 156 GLU HB3 H 1 1.83 0.02 . 2 . . . A 156 GLU HB3 . 17577 1 1468 . 1 1 156 156 GLU HG2 H 1 2.20 0.02 . 2 . . . A 156 GLU HG2 . 17577 1 1469 . 1 1 156 156 GLU HG3 H 1 2.03 0.02 . 2 . . . A 156 GLU HG3 . 17577 1 1470 . 1 1 156 156 GLU C C 13 175.4 0.3 . 1 . . . A 156 GLU C . 17577 1 1471 . 1 1 156 156 GLU CA C 13 57.5 0.3 . 1 . . . A 156 GLU CA . 17577 1 1472 . 1 1 156 156 GLU CB C 13 31.4 0.3 . 1 . . . A 156 GLU CB . 17577 1 1473 . 1 1 156 156 GLU CG C 13 37.2 0.3 . 1 . . . A 156 GLU CG . 17577 1 1474 . 1 1 156 156 GLU N N 15 121.0 0.3 . 1 . . . A 156 GLU N . 17577 1 1475 . 1 1 157 157 VAL H H 1 7.62 0.02 . 1 . . . A 157 VAL H . 17577 1 1476 . 1 1 157 157 VAL HA H 1 3.95 0.02 . 1 . . . A 157 VAL HA . 17577 1 1477 . 1 1 157 157 VAL HB H 1 2.02 0.02 . 1 . . . A 157 VAL HB . 17577 1 1478 . 1 1 157 157 VAL C C 13 180.7 0.3 . 1 . . . A 157 VAL C . 17577 1 1479 . 1 1 157 157 VAL CA C 13 64.4 0.3 . 1 . . . A 157 VAL CA . 17577 1 1480 . 1 1 157 157 VAL CB C 13 34.2 0.3 . 1 . . . A 157 VAL CB . 17577 1 1481 . 1 1 157 157 VAL CG1 C 13 21.3 0.3 . 1 . . . A 157 VAL CG1 . 17577 1 1482 . 1 1 157 157 VAL N N 15 124.0 0.3 . 1 . . . A 157 VAL N . 17577 1 stop_ save_