data_26048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26048 _Entry.Title ; 1H, 13C, 15N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme nitric oxide/oxygen binding (H-NOX) domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-06 _Entry.Accession_date 2016-05-06 _Entry.Last_release_date 2016-09-29 _Entry.Original_release_date 2016-09-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'nostoc sp H-NOX domain is consisted of 183a.a.:M1-D183 with a mutation of Cysteine 139 to Alanine (id Uniprot of wt: Q8YUQ7)' _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.ORCID _Entry_author.Entry_ID 1 Georgios Spyroulias . A. . . 26048 2 Ioannis Alexandropoulos . . . . 26048 3 Aikaterini Argyriou . I. . . 26048 4 Konstantinos Marousis . D. . . 26048 5 Andreas Papapetropoulos . . . . 26048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 603 26048 '15N chemical shifts' 149 26048 '1H chemical shifts' 917 26048 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-29 . original BMRB . 26048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27614467 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C, (15)N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme-nitric oxide/oxygen binding (H-NOX) domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 395 _Citation.Page_last 400 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ioannis Alexandropoulos . . . . 26048 1 2 Aikaterini Argyriou . I. . . 26048 1 3 Konstantinos Maroyusis . D. . . 26048 1 4 Stavros Topouzis . . . . 26048 1 5 Andreas Papapetropoulos . . . . 26048 1 6 Georgios Spyroulias . A. . . 26048 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'H-NOX domain' 26048 1 'Heme binding domain' 26048 1 'heme sensors' 26048 1 'nitrix oxide' 26048 1 'soluble Guanylate Cyclase (sGC)' 26048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26048 _Assembly.ID 1 _Assembly.Name 'H-NOX Monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20990 _Assembly.Enzyme_commission_number 4.6.1.2 _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 'H-NOX Monomer' 1 $nostoc_sp_H-NOX_(C139A) A . yes native no no . . . 26048 1 2 HEM 2 $entity_HEM A . no native no no . . . 26048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nostoc_sp_H-NOX_(C139A) _Entity.Sf_category entity _Entity.Sf_framecode nostoc_sp_H-NOX_(C139A) _Entity.Entry_ID 26048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nostoc_sp_H-NOX_(C139A) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YED ; _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C139A _Entity.EC_number 4.6.1.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20380 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNP Q8YUQ7 . 'Alr2278 protein' . . . . . . . . . . . . . . 26048 1 . yes PDB 4IAM . 'nostoc H-NOX domain (C139A)' . . . . . . . . . . . . . . 26048 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 1 MET . 26048 1 2 2 TYR . 26048 1 3 3 GLY . 26048 1 4 4 LEU . 26048 1 5 5 VAL . 26048 1 6 6 ASN . 26048 1 7 7 LYS . 26048 1 8 8 ALA . 26048 1 9 9 ILE . 26048 1 10 10 GLN . 26048 1 11 11 ASP . 26048 1 12 12 MET . 26048 1 13 13 ILE . 26048 1 14 14 SER . 26048 1 15 15 LYS . 26048 1 16 16 HIS . 26048 1 17 17 HIS . 26048 1 18 18 GLY . 26048 1 19 19 GLU . 26048 1 20 20 ASP . 26048 1 21 21 THR . 26048 1 22 22 TRP . 26048 1 23 23 GLU . 26048 1 24 24 ALA . 26048 1 25 25 ILE . 26048 1 26 26 LYS . 26048 1 27 27 GLN . 26048 1 28 28 LYS . 26048 1 29 29 ALA . 26048 1 30 30 GLY . 26048 1 31 31 LEU . 26048 1 32 32 GLU . 26048 1 33 33 ASP . 26048 1 34 34 ILE . 26048 1 35 35 ASP . 26048 1 36 36 PHE . 26048 1 37 37 PHE . 26048 1 38 38 VAL . 26048 1 39 39 GLY . 26048 1 40 40 MET . 26048 1 41 41 GLU . 26048 1 42 42 ALA . 26048 1 43 43 TYR . 26048 1 44 44 SER . 26048 1 45 45 ASP . 26048 1 46 46 ASP . 26048 1 47 47 VAL . 26048 1 48 48 THR . 26048 1 49 49 TYR . 26048 1 50 50 HIS . 26048 1 51 51 LEU . 26048 1 52 52 VAL . 26048 1 53 53 GLY . 26048 1 54 54 ALA . 26048 1 55 55 ALA . 26048 1 56 56 SER . 26048 1 57 57 GLU . 26048 1 58 58 VAL . 26048 1 59 59 LEU . 26048 1 60 60 GLY . 26048 1 61 61 LYS . 26048 1 62 62 PRO . 26048 1 63 63 ALA . 26048 1 64 64 GLU . 26048 1 65 65 GLU . 26048 1 66 66 LEU . 26048 1 67 67 LEU . 26048 1 68 68 ILE . 26048 1 69 69 ALA . 26048 1 70 70 PHE . 26048 1 71 71 GLY . 26048 1 72 72 GLU . 26048 1 73 73 TYR . 26048 1 74 74 TRP . 26048 1 75 75 VAL . 26048 1 76 76 THR . 26048 1 77 77 TYR . 26048 1 78 78 THR . 26048 1 79 79 SER . 26048 1 80 80 GLU . 26048 1 81 81 GLU . 26048 1 82 82 GLY . 26048 1 83 83 TYR . 26048 1 84 84 GLY . 26048 1 85 85 GLU . 26048 1 86 86 LEU . 26048 1 87 87 LEU . 26048 1 88 88 ALA . 26048 1 89 89 SER . 26048 1 90 90 ALA . 26048 1 91 91 GLY . 26048 1 92 92 ASP . 26048 1 93 93 SER . 26048 1 94 94 LEU . 26048 1 95 95 PRO . 26048 1 96 96 GLU . 26048 1 97 97 PHE . 26048 1 98 98 MET . 26048 1 99 99 GLU . 26048 1 100 100 ASN . 26048 1 101 101 LEU . 26048 1 102 102 ASP . 26048 1 103 103 ASN . 26048 1 104 104 LEU . 26048 1 105 105 HIS . 26048 1 106 106 ALA . 26048 1 107 107 ARG . 26048 1 108 108 VAL . 26048 1 109 109 GLY . 26048 1 110 110 LEU . 26048 1 111 111 SER . 26048 1 112 112 PHE . 26048 1 113 113 PRO . 26048 1 114 114 GLN . 26048 1 115 115 LEU . 26048 1 116 116 ARG . 26048 1 117 117 PRO . 26048 1 118 118 PRO . 26048 1 119 119 ALA . 26048 1 120 120 PHE . 26048 1 121 121 GLU . 26048 1 122 122 CYS . 26048 1 123 123 GLN . 26048 1 124 124 HIS . 26048 1 125 125 THR . 26048 1 126 126 SER . 26048 1 127 127 SER . 26048 1 128 128 LYS . 26048 1 129 129 SER . 26048 1 130 130 MET . 26048 1 131 131 GLU . 26048 1 132 132 LEU . 26048 1 133 133 HIS . 26048 1 134 134 TYR . 26048 1 135 135 GLN . 26048 1 136 136 SER . 26048 1 137 137 THR . 26048 1 138 138 ARG . 26048 1 139 139 ALA . 26048 1 140 140 GLY . 26048 1 141 141 LEU . 26048 1 142 142 ALA . 26048 1 143 143 PRO . 26048 1 144 144 MET . 26048 1 145 145 VAL . 26048 1 146 146 LEU . 26048 1 147 147 GLY . 26048 1 148 148 LEU . 26048 1 149 149 LEU . 26048 1 150 150 HIS . 26048 1 151 151 GLY . 26048 1 152 152 LEU . 26048 1 153 153 GLY . 26048 1 154 154 LYS . 26048 1 155 155 ARG . 26048 1 156 156 PHE . 26048 1 157 157 GLN . 26048 1 158 158 THR . 26048 1 159 159 LYS . 26048 1 160 160 VAL . 26048 1 161 161 GLU . 26048 1 162 162 VAL . 26048 1 163 163 THR . 26048 1 164 164 GLN . 26048 1 165 165 THR . 26048 1 166 166 ALA . 26048 1 167 167 PHE . 26048 1 168 168 ARG . 26048 1 169 169 GLU . 26048 1 170 170 THR . 26048 1 171 171 GLY . 26048 1 172 172 GLU . 26048 1 173 173 ASP . 26048 1 174 174 HIS . 26048 1 175 175 ASP . 26048 1 176 176 ILE . 26048 1 177 177 PHE . 26048 1 178 178 SER . 26048 1 179 179 ILE . 26048 1 180 180 LYS . 26048 1 181 181 TYR . 26048 1 182 182 GLU . 26048 1 183 183 ASP . 26048 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 26048 1 . TYR 2 2 26048 1 . GLY 3 3 26048 1 . LEU 4 4 26048 1 . VAL 5 5 26048 1 . ASN 6 6 26048 1 . LYS 7 7 26048 1 . ALA 8 8 26048 1 . ILE 9 9 26048 1 . GLN 10 10 26048 1 . ASP 11 11 26048 1 . MET 12 12 26048 1 . ILE 13 13 26048 1 . SER 14 14 26048 1 . LYS 15 15 26048 1 . HIS 16 16 26048 1 . HIS 17 17 26048 1 . GLY 18 18 26048 1 . GLU 19 19 26048 1 . ASP 20 20 26048 1 . THR 21 21 26048 1 . TRP 22 22 26048 1 . GLU 23 23 26048 1 . ALA 24 24 26048 1 . ILE 25 25 26048 1 . LYS 26 26 26048 1 . GLN 27 27 26048 1 . LYS 28 28 26048 1 . ALA 29 29 26048 1 . GLY 30 30 26048 1 . LEU 31 31 26048 1 . GLU 32 32 26048 1 . ASP 33 33 26048 1 . ILE 34 34 26048 1 . ASP 35 35 26048 1 . PHE 36 36 26048 1 . PHE 37 37 26048 1 . VAL 38 38 26048 1 . GLY 39 39 26048 1 . MET 40 40 26048 1 . GLU 41 41 26048 1 . ALA 42 42 26048 1 . TYR 43 43 26048 1 . SER 44 44 26048 1 . ASP 45 45 26048 1 . ASP 46 46 26048 1 . VAL 47 47 26048 1 . THR 48 48 26048 1 . TYR 49 49 26048 1 . HIS 50 50 26048 1 . LEU 51 51 26048 1 . VAL 52 52 26048 1 . GLY 53 53 26048 1 . ALA 54 54 26048 1 . ALA 55 55 26048 1 . SER 56 56 26048 1 . GLU 57 57 26048 1 . VAL 58 58 26048 1 . LEU 59 59 26048 1 . GLY 60 60 26048 1 . LYS 61 61 26048 1 . PRO 62 62 26048 1 . ALA 63 63 26048 1 . GLU 64 64 26048 1 . GLU 65 65 26048 1 . LEU 66 66 26048 1 . LEU 67 67 26048 1 . ILE 68 68 26048 1 . ALA 69 69 26048 1 . PHE 70 70 26048 1 . GLY 71 71 26048 1 . GLU 72 72 26048 1 . TYR 73 73 26048 1 . TRP 74 74 26048 1 . VAL 75 75 26048 1 . THR 76 76 26048 1 . TYR 77 77 26048 1 . THR 78 78 26048 1 . SER 79 79 26048 1 . GLU 80 80 26048 1 . GLU 81 81 26048 1 . GLY 82 82 26048 1 . TYR 83 83 26048 1 . GLY 84 84 26048 1 . GLU 85 85 26048 1 . LEU 86 86 26048 1 . LEU 87 87 26048 1 . ALA 88 88 26048 1 . SER 89 89 26048 1 . ALA 90 90 26048 1 . GLY 91 91 26048 1 . ASP 92 92 26048 1 . SER 93 93 26048 1 . LEU 94 94 26048 1 . PRO 95 95 26048 1 . GLU 96 96 26048 1 . PHE 97 97 26048 1 . MET 98 98 26048 1 . GLU 99 99 26048 1 . ASN 100 100 26048 1 . LEU 101 101 26048 1 . ASP 102 102 26048 1 . ASN 103 103 26048 1 . LEU 104 104 26048 1 . HIS 105 105 26048 1 . ALA 106 106 26048 1 . ARG 107 107 26048 1 . VAL 108 108 26048 1 . GLY 109 109 26048 1 . LEU 110 110 26048 1 . SER 111 111 26048 1 . PHE 112 112 26048 1 . PRO 113 113 26048 1 . GLN 114 114 26048 1 . LEU 115 115 26048 1 . ARG 116 116 26048 1 . PRO 117 117 26048 1 . PRO 118 118 26048 1 . ALA 119 119 26048 1 . PHE 120 120 26048 1 . GLU 121 121 26048 1 . CYS 122 122 26048 1 . GLN 123 123 26048 1 . HIS 124 124 26048 1 . THR 125 125 26048 1 . SER 126 126 26048 1 . SER 127 127 26048 1 . LYS 128 128 26048 1 . SER 129 129 26048 1 . MET 130 130 26048 1 . GLU 131 131 26048 1 . LEU 132 132 26048 1 . HIS 133 133 26048 1 . TYR 134 134 26048 1 . GLN 135 135 26048 1 . SER 136 136 26048 1 . THR 137 137 26048 1 . ARG 138 138 26048 1 . ALA 139 139 26048 1 . GLY 140 140 26048 1 . LEU 141 141 26048 1 . ALA 142 142 26048 1 . PRO 143 143 26048 1 . MET 144 144 26048 1 . VAL 145 145 26048 1 . LEU 146 146 26048 1 . GLY 147 147 26048 1 . LEU 148 148 26048 1 . LEU 149 149 26048 1 . HIS 150 150 26048 1 . GLY 151 151 26048 1 . LEU 152 152 26048 1 . GLY 153 153 26048 1 . LYS 154 154 26048 1 . ARG 155 155 26048 1 . PHE 156 156 26048 1 . GLN 157 157 26048 1 . THR 158 158 26048 1 . LYS 159 159 26048 1 . VAL 160 160 26048 1 . GLU 161 161 26048 1 . VAL 162 162 26048 1 . THR 163 163 26048 1 . GLN 164 164 26048 1 . THR 165 165 26048 1 . ALA 166 166 26048 1 . PHE 167 167 26048 1 . ARG 168 168 26048 1 . GLU 169 169 26048 1 . THR 170 170 26048 1 . GLY 171 171 26048 1 . GLU 172 172 26048 1 . ASP 173 173 26048 1 . HIS 174 174 26048 1 . ASP 175 175 26048 1 . ILE 176 176 26048 1 . PHE 177 177 26048 1 . SER 178 178 26048 1 . ILE 179 179 26048 1 . LYS 180 180 26048 1 . TYR 181 181 26048 1 . GLU 182 182 26048 1 . ASP 183 183 26048 1 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 26048 _Entity.ID 2 _Entity.BMRB_code HEM _Entity.Name 'PROTOPORPHYRIN IX CONTAINING FE' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 616.487 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 26048 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 26048 2 HEM 'Three letter code' 26048 2 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 1 HEM $chem_comp_HEM 26048 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26048 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $nostoc_sp_H-NOX_(C139A) . 1172 organism . 'Anabaena variabilis' cyanobacteria . . Bacteria . Anabaena variabilis 'Nostoc sp. (strain PCC 7120 / UTEX 2576)' . . . . . . . . . . . . 26048 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 26048 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $nostoc_sp_H-NOX_(C139A) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) STAR' . . . . . pET.22b(+) . . . 26048 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 26048 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2016-01-20 _Chem_comp.Modified_date 2016-01-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; _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 HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3IA3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O SMILES ACDLabs 12.01 26048 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES CACTVS 3.385 26048 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES_CANONICAL CACTVS 3.385 26048 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 26048 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26048 HEM ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; InChI InChI 1.03 26048 HEM KABFMIBPWCXCRK-RGGAHWMASA-L InChIKey InChI 1.03 26048 HEM 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 '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 26048 HEM [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron 'SYSTEMATIC NAME' ACDLabs 12.01 26048 HEM 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 CHA CHA CHA CHA . C . . N 0 . . . 1 no no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 26048 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 no no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 26048 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 no no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 26048 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 no no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 26048 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 26048 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 26048 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 26048 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 26048 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 26048 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 26048 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 26048 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 26048 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 26048 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 26048 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 no no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 26048 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 26048 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 26048 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 no no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 26048 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 26048 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 26048 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 26048 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 26048 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 26048 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 26048 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 26048 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 26048 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 26048 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 26048 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 no no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 26048 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 no no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 26048 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 no no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 26048 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 no no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 26048 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 26048 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 26048 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 26048 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 26048 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 26048 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 26048 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 26048 HEM NB NB NB NB . N . . N 0 . . . 1 no no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 26048 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 26048 HEM ND ND ND ND . N . . N 0 . . . 1 no no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 26048 HEM FE FE FE FE . FE . . N 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 26048 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 26048 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 26048 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 26048 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 26048 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 26048 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 26048 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.905 . -15.575 . 40.197 . -3.662 -3.862 0.782 50 . 26048 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.268 . -16.991 . 41.102 . -4.024 -2.121 0.869 51 . 26048 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.368 . -18.237 . 40.627 . -3.825 -1.956 -1.597 52 . 26048 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 6.004 . -16.819 . 39.725 . -3.464 -3.697 -1.684 53 . 26048 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 26048 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 26048 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 26048 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 26048 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 26048 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 26048 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 0.153 . -25.793 . 33.346 . 6.554 1.949 -0.639 60 . 26048 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.196 . -24.182 . 32.634 . 6.110 3.316 -1.689 61 . 26048 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 1.472 . -24.846 . 32.578 . 6.362 3.578 0.053 62 . 26048 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 26048 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 26048 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 26048 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 26048 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 26048 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 26048 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.055 . -22.216 . 42.999 . -4.052 1.687 1.738 69 . 26048 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.943 . -20.719 . 42.554 . -3.893 3.459 1.677 70 . 26048 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.767 . -19.646 . 41.835 . -4.262 3.408 -0.775 71 . 26048 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.119 . -21.141 . 42.290 . -4.421 1.636 -0.714 72 . 26048 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 26048 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 26048 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 26048 HEM 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 CHA C1A no N 1 . 26048 HEM 2 . DOUB CHA C4D no N 2 . 26048 HEM 3 . SING CHA HHA no N 3 . 26048 HEM 4 . SING CHB C4A no N 4 . 26048 HEM 5 . DOUB CHB C1B no N 5 . 26048 HEM 6 . SING CHB HHB no N 6 . 26048 HEM 7 . SING CHC C4B no N 7 . 26048 HEM 8 . DOUB CHC C1C no N 8 . 26048 HEM 9 . SING CHC HHC no N 9 . 26048 HEM 10 . DOUB CHD C4C no N 10 . 26048 HEM 11 . SING CHD C1D no N 11 . 26048 HEM 12 . SING CHD HHD no N 12 . 26048 HEM 13 . DOUB C1A C2A yes N 13 . 26048 HEM 14 . SING C1A NA yes N 14 . 26048 HEM 15 . SING C2A C3A yes N 15 . 26048 HEM 16 . SING C2A CAA no N 16 . 26048 HEM 17 . DOUB C3A C4A yes N 17 . 26048 HEM 18 . SING C3A CMA no N 18 . 26048 HEM 19 . SING C4A NA yes N 19 . 26048 HEM 20 . SING CMA HMA no N 20 . 26048 HEM 21 . SING CMA HMAA no N 21 . 26048 HEM 22 . SING CMA HMAB no N 22 . 26048 HEM 23 . SING CAA CBA no N 23 . 26048 HEM 24 . SING CAA HAA no N 24 . 26048 HEM 25 . SING CAA HAAA no N 25 . 26048 HEM 26 . SING CBA CGA no N 26 . 26048 HEM 27 . SING CBA HBA no N 27 . 26048 HEM 28 . SING CBA HBAA no N 28 . 26048 HEM 29 . DOUB CGA O1A no N 29 . 26048 HEM 30 . SING CGA O2A no N 30 . 26048 HEM 31 . SING C1B C2B no N 31 . 26048 HEM 32 . SING C1B NB no N 32 . 26048 HEM 33 . DOUB C2B C3B no N 33 . 26048 HEM 34 . SING C2B CMB no N 34 . 26048 HEM 35 . SING C3B C4B no N 35 . 26048 HEM 36 . SING C3B CAB no N 36 . 26048 HEM 37 . DOUB C4B NB no N 37 . 26048 HEM 38 . SING CMB HMB no N 38 . 26048 HEM 39 . SING CMB HMBA no N 39 . 26048 HEM 40 . SING CMB HMBB no N 40 . 26048 HEM 41 . DOUB CAB CBB no N 41 . 26048 HEM 42 . SING CAB HAB no N 42 . 26048 HEM 43 . SING CBB HBB no N 43 . 26048 HEM 44 . SING CBB HBBA no N 44 . 26048 HEM 45 . SING C1C C2C yes N 45 . 26048 HEM 46 . SING C1C NC yes N 46 . 26048 HEM 47 . DOUB C2C C3C yes N 47 . 26048 HEM 48 . SING C2C CMC no N 48 . 26048 HEM 49 . SING C3C C4C yes N 49 . 26048 HEM 50 . SING C3C CAC no N 50 . 26048 HEM 51 . SING C4C NC yes N 51 . 26048 HEM 52 . SING CMC HMC no N 52 . 26048 HEM 53 . SING CMC HMCA no N 53 . 26048 HEM 54 . SING CMC HMCB no N 54 . 26048 HEM 55 . DOUB CAC CBC no N 55 . 26048 HEM 56 . SING CAC HAC no N 56 . 26048 HEM 57 . SING CBC HBC no N 57 . 26048 HEM 58 . SING CBC HBCA no N 58 . 26048 HEM 59 . SING C1D C2D no N 59 . 26048 HEM 60 . DOUB C1D ND no N 60 . 26048 HEM 61 . DOUB C2D C3D no N 61 . 26048 HEM 62 . SING C2D CMD no N 62 . 26048 HEM 63 . SING C3D C4D no N 63 . 26048 HEM 64 . SING C3D CAD no N 64 . 26048 HEM 65 . SING C4D ND no N 65 . 26048 HEM 66 . SING CMD HMD no N 66 . 26048 HEM 67 . SING CMD HMDA no N 67 . 26048 HEM 68 . SING CMD HMDB no N 68 . 26048 HEM 69 . SING CAD CBD no N 69 . 26048 HEM 70 . SING CAD HAD no N 70 . 26048 HEM 71 . SING CAD HADA no N 71 . 26048 HEM 72 . SING CBD CGD no N 72 . 26048 HEM 73 . SING CBD HBD no N 73 . 26048 HEM 74 . SING CBD HBDA no N 74 . 26048 HEM 75 . DOUB CGD O1D no N 75 . 26048 HEM 76 . SING CGD O2D no N 76 . 26048 HEM 77 . SING O2A H2A no N 77 . 26048 HEM 78 . SING O2D H2D no N 78 . 26048 HEM 79 . SING FE NA no N 79 . 26048 HEM 80 . SING FE NB no N 80 . 26048 HEM 81 . SING FE NC no N 81 . 26048 HEM 82 . SING FE ND no N 82 . 26048 HEM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-1H_Sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-1H_Sample _Sample.Entry_ID 26048 _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 H-NOX '[U-99% 15N]' . . 1 $nostoc_sp_H-NOX_(C139A) . . 0.6 . . mM . . . . 26048 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26048 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26048 1 stop_ save_ save_15N-13C-1H_Sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-1H_Sample _Sample.Entry_ID 26048 _Sample.ID 2 _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 H-NOX '[U-98% 13C; U-98% 15N]' . . 1 $nostoc_sp_H-NOX_(C139A) . . 1.0 . . mM . . . . 26048 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 2 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26048 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26048 2 stop_ save_ save_1H_Sample _Sample.Sf_category sample _Sample.Sf_framecode 1H_Sample _Sample.Entry_ID 26048 _Sample.ID 3 _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 H-NOX 'natural abundance' . . 1 $nostoc_sp_H-NOX_(C139A) . . 1.0 . . mM . . . . 26048 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 3 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 3 4 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 26048 3 5 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 26048 3 stop_ save_ save_Leu_15N_selective _Sample.Sf_category sample _Sample.Sf_framecode Leu_15N_selective _Sample.Entry_ID 26048 _Sample.ID 4 _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 H-NOX [U-15N]-Leu . . 1 $nostoc_sp_H-NOX_(C139A) . . 0.5 . . mM . . . . 26048 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 4 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 4 4 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 26048 4 5 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 26048 4 stop_ save_ save_Phe-Leu_15N_selective _Sample.Sf_category sample _Sample.Sf_framecode Phe-Leu_15N_selective _Sample.Entry_ID 26048 _Sample.ID 5 _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 H-NOX '[U-15N]-Leu ; [U-15N]-Phe' . . 1 $nostoc_sp_H-NOX_(C139A) . . 0.8 . . mM . . . . 26048 5 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 5 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 5 4 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 26048 5 5 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 26048 5 stop_ save_ save_Tyr-Ala_15N_selective _Sample.Sf_category sample _Sample.Sf_framecode Tyr-Ala_15N_selective _Sample.Entry_ID 26048 _Sample.ID 6 _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 H-NOX '[U-15N]-Ala ; [U-15N]-Tyr' . . 1 $nostoc_sp_H-NOX_(C139A) . . 0.8 . . mM . . . . 26048 6 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 6 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 6 4 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 26048 6 5 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 26048 6 stop_ save_ save_Ile-Val_15N_selective _Sample.Sf_category sample _Sample.Sf_framecode Ile-Val_15N_selective _Sample.Entry_ID 26048 _Sample.ID 7 _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 H-NOX '[U-15N]-Ile ; [U-15N]-Val' . . 1 $nostoc_sp_H-NOX_(C139A) . . 0.25 . . mM . . . . 26048 7 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26048 7 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26048 7 4 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 26048 7 5 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 26048 7 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 26048 _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' 30 . mM 26048 1 pH 7 . pH 26048 1 pressure 1 . atm 26048 1 temperature 298 . K 26048 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26048 _Software.ID 1 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26048 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26048 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26048 2 processing 26048 2 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 26048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance HD III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26048 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance HD III' . 700 'equipped with Cryoprobe' . . 26048 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 26048 _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-1H TOCSY' no . . . . . . . . . . 3 $1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $Leu_15N_selective isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $Phe-Leu_15N_selective isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $Tyr-Ala_15N_selective isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $Ile-Val_15N_selective isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 8 '3D HNHA' no . . . . . . . . . . 1 $15N-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 13 '3D HNCO' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 14 '3D HNCA' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 15 '3D HNCACB' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 16 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 17 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 19 '3D HN(CA)CO' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 20 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 1 21 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $15N-13C-1H_Sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26048 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 26048 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26048 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26048 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26048 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 26048 _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-1H TOCSY' . . . 26048 1 2 '2D 1H-1H NOESY' . . . 26048 1 3 '2D 1H-15N HSQC' . . . 26048 1 4 '2D 1H-15N HSQC' . . . 26048 1 5 '2D 1H-15N HSQC' . . . 26048 1 6 '2D 1H-15N HSQC' . . . 26048 1 7 '2D 1H-15N HSQC' . . . 26048 1 8 '3D HNHA' . . . 26048 1 9 '3D 1H-15N NOESY' . . . 26048 1 10 '2D 1H-15N HSQC' . . . 26048 1 11 '2D 1H-13C HSQC' . . . 26048 1 12 '3D CBCA(CO)NH' . . . 26048 1 13 '3D HNCO' . . . 26048 1 14 '3D HNCA' . . . 26048 1 15 '3D HNCACB' . . . 26048 1 16 '3D HBHA(CO)NH' . . . 26048 1 17 '3D HN(CO)CA' . . . 26048 1 18 '3D HCCH-TOCSY' . . . 26048 1 19 '3D HN(CA)CO' . . . 26048 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 6 6 ASN HA H 1 4.842 0.020 . 1 . . . . 6 ASN HA . 26048 1 2 . 1 1 6 6 ASN C C 13 176.765 0.3 . 1 . . . . 6 ASN C . 26048 1 3 . 1 1 6 6 ASN CA C 13 57.087 0.3 . 1 . . . . 6 ASN CA . 26048 1 4 . 1 1 6 6 ASN CB C 13 43.837 0.3 . 1 . . . . 6 ASN CB . 26048 1 5 . 1 1 7 7 LYS H H 1 9.967 0.020 . 1 . . . . 7 LYS H . 26048 1 6 . 1 1 7 7 LYS HA H 1 4.408 0.020 . 1 . . . . 7 LYS HA . 26048 1 7 . 1 1 7 7 LYS HB2 H 1 2.567 0.020 . 1 . . . . 7 LYS HB2 . 26048 1 8 . 1 1 7 7 LYS HB3 H 1 2.567 0.020 . 1 . . . . 7 LYS HB3 . 26048 1 9 . 1 1 7 7 LYS HG2 H 1 1.965 0.020 . 2 . . . . 7 LYS HG2 . 26048 1 10 . 1 1 7 7 LYS HG3 H 1 2.076 0.020 . 2 . . . . 7 LYS HG3 . 26048 1 11 . 1 1 7 7 LYS HD2 H 1 2.255 0.020 . 1 . . . . 7 LYS HD2 . 26048 1 12 . 1 1 7 7 LYS HD3 H 1 2.255 0.020 . 1 . . . . 7 LYS HD3 . 26048 1 13 . 1 1 7 7 LYS HE2 H 1 3.445 0.020 . 1 . . . . 7 LYS HE2 . 26048 1 14 . 1 1 7 7 LYS HE3 H 1 3.445 0.020 . 1 . . . . 7 LYS HE3 . 26048 1 15 . 1 1 7 7 LYS C C 13 178.834 0.3 . 1 . . . . 7 LYS C . 26048 1 16 . 1 1 7 7 LYS CA C 13 59.821 0.3 . 1 . . . . 7 LYS CA . 26048 1 17 . 1 1 7 7 LYS CB C 13 33.471 0.3 . 1 . . . . 7 LYS CB . 26048 1 18 . 1 1 7 7 LYS CG C 13 25.832 0.3 . 1 . . . . 7 LYS CG . 26048 1 19 . 1 1 7 7 LYS CD C 13 29.639 0.3 . 1 . . . . 7 LYS CD . 26048 1 20 . 1 1 7 7 LYS CE C 13 41.893 0.3 . 1 . . . . 7 LYS CE . 26048 1 21 . 1 1 7 7 LYS N N 15 120.766 0.3 . 1 . . . . 7 LYS N . 26048 1 22 . 1 1 8 8 ALA H H 1 8.454 0.020 . 1 . . . . 8 ALA H . 26048 1 23 . 1 1 8 8 ALA HA H 1 3.657 0.020 . 1 . . . . 8 ALA HA . 26048 1 24 . 1 1 8 8 ALA HB1 H 1 1.880 0.020 . 1 . . . . 8 ALA HB . 26048 1 25 . 1 1 8 8 ALA HB2 H 1 1.880 0.020 . 1 . . . . 8 ALA HB . 26048 1 26 . 1 1 8 8 ALA HB3 H 1 1.880 0.020 . 1 . . . . 8 ALA HB . 26048 1 27 . 1 1 8 8 ALA C C 13 179.201 0.3 . 1 . . . . 8 ALA C . 26048 1 28 . 1 1 8 8 ALA CA C 13 56.184 0.3 . 1 . . . . 8 ALA CA . 26048 1 29 . 1 1 8 8 ALA CB C 13 19.213 0.3 . 1 . . . . 8 ALA CB . 26048 1 30 . 1 1 8 8 ALA N N 15 122.913 0.3 . 1 . . . . 8 ALA N . 26048 1 31 . 1 1 9 9 ILE H H 1 8.077 0.020 . 1 . . . . 9 ILE H . 26048 1 32 . 1 1 9 9 ILE HA H 1 3.372 0.020 . 1 . . . . 9 ILE HA . 26048 1 33 . 1 1 9 9 ILE HB H 1 2.156 0.020 . 1 . . . . 9 ILE HB . 26048 1 34 . 1 1 9 9 ILE HG12 H 1 -0.141 0.020 . 1 . . . . 9 ILE HG12 . 26048 1 35 . 1 1 9 9 ILE HG13 H 1 -0.141 0.020 . 1 . . . . 9 ILE HG13 . 26048 1 36 . 1 1 9 9 ILE HG21 H 1 0.924 0.020 . 1 . . . . 9 ILE HG2 . 26048 1 37 . 1 1 9 9 ILE HG22 H 1 0.924 0.020 . 1 . . . . 9 ILE HG2 . 26048 1 38 . 1 1 9 9 ILE HG23 H 1 0.924 0.020 . 1 . . . . 9 ILE HG2 . 26048 1 39 . 1 1 9 9 ILE HD11 H 1 0.954 0.020 . 1 . . . . 9 ILE HD1 . 26048 1 40 . 1 1 9 9 ILE HD12 H 1 0.954 0.020 . 1 . . . . 9 ILE HD1 . 26048 1 41 . 1 1 9 9 ILE HD13 H 1 0.954 0.020 . 1 . . . . 9 ILE HD1 . 26048 1 42 . 1 1 9 9 ILE C C 13 177.212 0.3 . 1 . . . . 9 ILE C . 26048 1 43 . 1 1 9 9 ILE CA C 13 66.667 0.3 . 1 . . . . 9 ILE CA . 26048 1 44 . 1 1 9 9 ILE CB C 13 37.883 0.3 . 1 . . . . 9 ILE CB . 26048 1 45 . 1 1 9 9 ILE CG1 C 13 29.466 0.3 . 1 . . . . 9 ILE CG1 . 26048 1 46 . 1 1 9 9 ILE CG2 C 13 16.973 0.3 . 1 . . . . 9 ILE CG2 . 26048 1 47 . 1 1 9 9 ILE CD1 C 13 13.993 0.3 . 1 . . . . 9 ILE CD1 . 26048 1 48 . 1 1 9 9 ILE N N 15 120.279 0.3 . 1 . . . . 9 ILE N . 26048 1 49 . 1 1 10 10 GLN H H 1 7.956 0.020 . 1 . . . . 10 GLN H . 26048 1 50 . 1 1 10 10 GLN HA H 1 2.538 0.020 . 1 . . . . 10 GLN HA . 26048 1 51 . 1 1 10 10 GLN HB2 H 1 2.052 0.020 . 1 . . . . 10 GLN HB2 . 26048 1 52 . 1 1 10 10 GLN HB3 H 1 2.052 0.020 . 1 . . . . 10 GLN HB3 . 26048 1 53 . 1 1 10 10 GLN HG2 H 1 0.153 0.020 . 1 . . . . 10 GLN HG2 . 26048 1 54 . 1 1 10 10 GLN C C 13 178.983 0.3 . 1 . . . . 10 GLN C . 26048 1 55 . 1 1 10 10 GLN CA C 13 58.927 0.3 . 1 . . . . 10 GLN CA . 26048 1 56 . 1 1 10 10 GLN CB C 13 26.825 0.3 . 1 . . . . 10 GLN CB . 26048 1 57 . 1 1 10 10 GLN CG C 13 30.857 0.3 . 1 . . . . 10 GLN CG . 26048 1 58 . 1 1 10 10 GLN N N 15 120.085 0.3 . 1 . . . . 10 GLN N . 26048 1 59 . 1 1 11 11 ASP H H 1 8.656 0.020 . 1 . . . . 11 ASP H . 26048 1 60 . 1 1 11 11 ASP HA H 1 4.172 0.020 . 1 . . . . 11 ASP HA . 26048 1 61 . 1 1 11 11 ASP HB2 H 1 2.904 0.020 . 2 . . . . 11 ASP HB2 . 26048 1 62 . 1 1 11 11 ASP HB3 H 1 2.762 0.020 . 2 . . . . 11 ASP HB3 . 26048 1 63 . 1 1 11 11 ASP C C 13 177.280 0.3 . 1 . . . . 11 ASP C . 26048 1 64 . 1 1 11 11 ASP CA C 13 57.884 0.3 . 1 . . . . 11 ASP CA . 26048 1 65 . 1 1 11 11 ASP CB C 13 42.418 0.3 . 1 . . . . 11 ASP CB . 26048 1 66 . 1 1 11 11 ASP N N 15 122.490 0.3 . 1 . . . . 11 ASP N . 26048 1 67 . 1 1 12 12 MET H H 1 8.369 0.020 . 1 . . . . 12 MET H . 26048 1 68 . 1 1 12 12 MET HA H 1 2.783 0.020 . 1 . . . . 12 MET HA . 26048 1 69 . 1 1 12 12 MET HB2 H 1 1.691 0.020 . 1 . . . . 12 MET HB2 . 26048 1 70 . 1 1 12 12 MET HB3 H 1 1.691 0.020 . 1 . . . . 12 MET HB3 . 26048 1 71 . 1 1 12 12 MET HG2 H 1 1.605 0.020 . 1 . . . . 12 MET HG2 . 26048 1 72 . 1 1 12 12 MET HG3 H 1 1.605 0.020 . 1 . . . . 12 MET HG3 . 26048 1 73 . 1 1 12 12 MET C C 13 178.438 0.3 . 1 . . . . 12 MET C . 26048 1 74 . 1 1 12 12 MET CA C 13 59.586 0.3 . 1 . . . . 12 MET CA . 26048 1 75 . 1 1 12 12 MET CB C 13 32.472 0.3 . 1 . . . . 12 MET CB . 26048 1 76 . 1 1 12 12 MET CG C 13 28.979 0.3 . 1 . . . . 12 MET CG . 26048 1 77 . 1 1 12 12 MET N N 15 118.696 0.3 . 1 . . . . 12 MET N . 26048 1 78 . 1 1 13 13 ILE H H 1 8.277 0.020 . 1 . . . . 13 ILE H . 26048 1 79 . 1 1 13 13 ILE HA H 1 3.676 0.020 . 1 . . . . 13 ILE HA . 26048 1 80 . 1 1 13 13 ILE HB H 1 2.169 0.020 . 1 . . . . 13 ILE HB . 26048 1 81 . 1 1 13 13 ILE HG12 H 1 1.805 0.020 . 1 . . . . 13 ILE HG12 . 26048 1 82 . 1 1 13 13 ILE HG13 H 1 1.805 0.020 . 1 . . . . 13 ILE HG13 . 26048 1 83 . 1 1 13 13 ILE HG21 H 1 1.119 0.020 . 1 . . . . 13 ILE HG2 . 26048 1 84 . 1 1 13 13 ILE HG22 H 1 1.119 0.020 . 1 . . . . 13 ILE HG2 . 26048 1 85 . 1 1 13 13 ILE HG23 H 1 1.119 0.020 . 1 . . . . 13 ILE HG2 . 26048 1 86 . 1 1 13 13 ILE HD11 H 1 0.903 0.020 . 1 . . . . 13 ILE HD1 . 26048 1 87 . 1 1 13 13 ILE HD12 H 1 0.903 0.020 . 1 . . . . 13 ILE HD1 . 26048 1 88 . 1 1 13 13 ILE HD13 H 1 0.903 0.020 . 1 . . . . 13 ILE HD1 . 26048 1 89 . 1 1 13 13 ILE C C 13 178.334 0.3 . 1 . . . . 13 ILE C . 26048 1 90 . 1 1 13 13 ILE CA C 13 64.492 0.3 . 1 . . . . 13 ILE CA . 26048 1 91 . 1 1 13 13 ILE CB C 13 36.917 0.3 . 1 . . . . 13 ILE CB . 26048 1 92 . 1 1 13 13 ILE CG1 C 13 28.918 0.3 . 1 . . . . 13 ILE CG1 . 26048 1 93 . 1 1 13 13 ILE CG2 C 13 17.933 0.3 . 1 . . . . 13 ILE CG2 . 26048 1 94 . 1 1 13 13 ILE CD1 C 13 12.280 0.3 . 1 . . . . 13 ILE CD1 . 26048 1 95 . 1 1 13 13 ILE N N 15 116.259 0.3 . 1 . . . . 13 ILE N . 26048 1 96 . 1 1 14 14 SER H H 1 8.652 0.020 . 1 . . . . 14 SER H . 26048 1 97 . 1 1 14 14 SER HA H 1 3.943 0.020 . 1 . . . . 14 SER HA . 26048 1 98 . 1 1 14 14 SER HB2 H 1 3.716 0.020 . 1 . . . . 14 SER HB2 . 26048 1 99 . 1 1 14 14 SER HB3 H 1 3.716 0.020 . 1 . . . . 14 SER HB3 . 26048 1 100 . 1 1 14 14 SER C C 13 178.327 0.3 . 1 . . . . 14 SER C . 26048 1 101 . 1 1 14 14 SER CA C 13 62.524 0.3 . 1 . . . . 14 SER CA . 26048 1 102 . 1 1 14 14 SER CB C 13 67.962 0.3 . 1 . . . . 14 SER CB . 26048 1 103 . 1 1 14 14 SER N N 15 116.169 0.3 . 1 . . . . 14 SER N . 26048 1 104 . 1 1 15 15 LYS H H 1 8.295 0.020 . 1 . . . . 15 LYS H . 26048 1 105 . 1 1 15 15 LYS HA H 1 3.915 0.020 . 1 . . . . 15 LYS HA . 26048 1 106 . 1 1 15 15 LYS HB2 H 1 1.693 0.020 . 2 . . . . 15 LYS HB2 . 26048 1 107 . 1 1 15 15 LYS HB3 H 1 1.524 0.020 . 2 . . . . 15 LYS HB3 . 26048 1 108 . 1 1 15 15 LYS HG2 H 1 1.204 0.020 . 2 . . . . 15 LYS HG2 . 26048 1 109 . 1 1 15 15 LYS HG3 H 1 1.151 0.020 . 2 . . . . 15 LYS HG3 . 26048 1 110 . 1 1 15 15 LYS HD2 H 1 1.497 0.020 . 1 . . . . 15 LYS HD2 . 26048 1 111 . 1 1 15 15 LYS HD3 H 1 1.497 0.020 . 1 . . . . 15 LYS HD3 . 26048 1 112 . 1 1 15 15 LYS HE2 H 1 2.926 0.020 . 1 . . . . 15 LYS HE2 . 26048 1 113 . 1 1 15 15 LYS HE3 H 1 2.926 0.020 . 1 . . . . 15 LYS HE3 . 26048 1 114 . 1 1 15 15 LYS C C 13 178.535 0.3 . 1 . . . . 15 LYS C . 26048 1 115 . 1 1 15 15 LYS CA C 13 59.313 0.3 . 1 . . . . 15 LYS CA . 26048 1 116 . 1 1 15 15 LYS CB C 13 32.408 0.3 . 1 . . . . 15 LYS CB . 26048 1 117 . 1 1 15 15 LYS CG C 13 25.725 0.3 . 1 . . . . 15 LYS CG . 26048 1 118 . 1 1 15 15 LYS CD C 13 28.605 0.3 . 1 . . . . 15 LYS CD . 26048 1 119 . 1 1 15 15 LYS CE C 13 42.008 0.3 . 1 . . . . 15 LYS CE . 26048 1 120 . 1 1 15 15 LYS N N 15 120.774 0.3 . 1 . . . . 15 LYS N . 26048 1 121 . 1 1 16 16 HIS H H 1 7.950 0.020 . 1 . . . . 16 HIS H . 26048 1 122 . 1 1 16 16 HIS HA H 1 4.287 0.020 . 1 . . . . 16 HIS HA . 26048 1 123 . 1 1 16 16 HIS HB2 H 1 2.681 0.020 . 2 . . . . 16 HIS HB2 . 26048 1 124 . 1 1 16 16 HIS HB3 H 1 2.267 0.020 . 2 . . . . 16 HIS HB3 . 26048 1 125 . 1 1 16 16 HIS C C 13 176.713 0.3 . 1 . . . . 16 HIS C . 26048 1 126 . 1 1 16 16 HIS CA C 13 57.244 0.3 . 1 . . . . 16 HIS CA . 26048 1 127 . 1 1 16 16 HIS CB C 13 30.598 0.3 . 1 . . . . 16 HIS CB . 26048 1 128 . 1 1 16 16 HIS N N 15 114.977 0.3 . 1 . . . . 16 HIS N . 26048 1 129 . 1 1 17 17 HIS H H 1 8.476 0.020 . 1 . . . . 17 HIS H . 26048 1 130 . 1 1 17 17 HIS HA H 1 4.809 0.020 . 1 . . . . 17 HIS HA . 26048 1 131 . 1 1 17 17 HIS HB2 H 1 3.287 0.020 . 2 . . . . 17 HIS HB2 . 26048 1 132 . 1 1 17 17 HIS HB3 H 1 3.041 0.020 . 2 . . . . 17 HIS HB3 . 26048 1 133 . 1 1 17 17 HIS C C 13 175.938 0.3 . 1 . . . . 17 HIS C . 26048 1 134 . 1 1 17 17 HIS CA C 13 56.274 0.3 . 1 . . . . 17 HIS CA . 26048 1 135 . 1 1 17 17 HIS CB C 13 31.795 0.3 . 1 . . . . 17 HIS CB . 26048 1 136 . 1 1 17 17 HIS N N 15 114.656 0.3 . 1 . . . . 17 HIS N . 26048 1 137 . 1 1 18 18 GLY H H 1 7.648 0.020 . 1 . . . . 18 GLY H . 26048 1 138 . 1 1 18 18 GLY HA2 H 1 4.779 0.020 . 2 . . . . 18 GLY HA2 . 26048 1 139 . 1 1 18 18 GLY HA3 H 1 3.992 0.020 . 2 . . . . 18 GLY HA3 . 26048 1 140 . 1 1 18 18 GLY C C 13 174.705 0.3 . 1 . . . . 18 GLY C . 26048 1 141 . 1 1 18 18 GLY CA C 13 44.942 0.3 . 1 . . . . 18 GLY CA . 26048 1 142 . 1 1 18 18 GLY N N 15 111.053 0.3 . 1 . . . . 18 GLY N . 26048 1 143 . 1 1 19 19 GLU H H 1 9.043 0.020 . 1 . . . . 19 GLU H . 26048 1 144 . 1 1 19 19 GLU HA H 1 4.181 0.020 . 1 . . . . 19 GLU HA . 26048 1 145 . 1 1 19 19 GLU HB2 H 1 2.217 0.020 . 2 . . . . 19 GLU HB2 . 26048 1 146 . 1 1 19 19 GLU HB3 H 1 2.142 0.020 . 2 . . . . 19 GLU HB3 . 26048 1 147 . 1 1 19 19 GLU HG2 H 1 2.451 0.020 . 1 . . . . 19 GLU HG2 . 26048 1 148 . 1 1 19 19 GLU HG3 H 1 2.451 0.020 . 1 . . . . 19 GLU HG3 . 26048 1 149 . 1 1 19 19 GLU C C 13 178.558 0.3 . 1 . . . . 19 GLU C . 26048 1 150 . 1 1 19 19 GLU CA C 13 60.183 0.3 . 1 . . . . 19 GLU CA . 26048 1 151 . 1 1 19 19 GLU CB C 13 29.716 0.3 . 1 . . . . 19 GLU CB . 26048 1 152 . 1 1 19 19 GLU CG C 13 36.878 0.3 . 1 . . . . 19 GLU CG . 26048 1 153 . 1 1 19 19 GLU N N 15 122.763 0.3 . 1 . . . . 19 GLU N . 26048 1 154 . 1 1 20 20 ASP H H 1 8.967 0.020 . 1 . . . . 20 ASP H . 26048 1 155 . 1 1 20 20 ASP HA H 1 4.397 0.020 . 1 . . . . 20 ASP HA . 26048 1 156 . 1 1 20 20 ASP HB2 H 1 2.707 0.020 . 2 . . . . 20 ASP HB2 . 26048 1 157 . 1 1 20 20 ASP HB3 H 1 2.648 0.020 . 2 . . . . 20 ASP HB3 . 26048 1 158 . 1 1 20 20 ASP C C 13 179.677 0.3 . 1 . . . . 20 ASP C . 26048 1 159 . 1 1 20 20 ASP CA C 13 57.096 0.3 . 1 . . . . 20 ASP CA . 26048 1 160 . 1 1 20 20 ASP CB C 13 39.072 0.3 . 1 . . . . 20 ASP CB . 26048 1 161 . 1 1 20 20 ASP N N 15 118.948 0.3 . 1 . . . . 20 ASP N . 26048 1 162 . 1 1 21 21 THR H H 1 7.827 0.020 . 1 . . . . 21 THR H . 26048 1 163 . 1 1 21 21 THR HA H 1 3.902 0.020 . 1 . . . . 21 THR HA . 26048 1 164 . 1 1 21 21 THR HB H 1 4.033 0.020 . 1 . . . . 21 THR HB . 26048 1 165 . 1 1 21 21 THR HG21 H 1 1.039 0.020 . 1 . . . . 21 THR HG2 . 26048 1 166 . 1 1 21 21 THR HG22 H 1 1.039 0.020 . 1 . . . . 21 THR HG2 . 26048 1 167 . 1 1 21 21 THR HG23 H 1 1.039 0.020 . 1 . . . . 21 THR HG2 . 26048 1 168 . 1 1 21 21 THR C C 13 176.151 0.3 . 1 . . . . 21 THR C . 26048 1 169 . 1 1 21 21 THR CA C 13 66.448 0.3 . 1 . . . . 21 THR CA . 26048 1 170 . 1 1 21 21 THR CB C 13 67.345 0.3 . 1 . . . . 21 THR CB . 26048 1 171 . 1 1 21 21 THR CG2 C 13 22.615 0.3 . 1 . . . . 21 THR CG2 . 26048 1 172 . 1 1 21 21 THR N N 15 120.553 0.3 . 1 . . . . 21 THR N . 26048 1 173 . 1 1 22 22 TRP H H 1 7.793 0.020 . 1 . . . . 22 TRP H . 26048 1 174 . 1 1 22 22 TRP HA H 1 4.523 0.020 . 1 . . . . 22 TRP HA . 26048 1 175 . 1 1 22 22 TRP HB2 H 1 3.535 0.020 . 2 . . . . 22 TRP HB2 . 26048 1 176 . 1 1 22 22 TRP HB3 H 1 3.231 0.020 . 2 . . . . 22 TRP HB3 . 26048 1 177 . 1 1 22 22 TRP C C 13 176.204 0.3 . 1 . . . . 22 TRP C . 26048 1 178 . 1 1 22 22 TRP CA C 13 60.065 0.3 . 1 . . . . 22 TRP CA . 26048 1 179 . 1 1 22 22 TRP CB C 13 29.142 0.3 . 1 . . . . 22 TRP CB . 26048 1 180 . 1 1 22 22 TRP N N 15 121.059 0.3 . 1 . . . . 22 TRP N . 26048 1 181 . 1 1 23 23 GLU H H 1 8.319 0.020 . 1 . . . . 23 GLU H . 26048 1 182 . 1 1 23 23 GLU HA H 1 3.437 0.020 . 1 . . . . 23 GLU HA . 26048 1 183 . 1 1 23 23 GLU HB2 H 1 2.023 0.020 . 1 . . . . 23 GLU HB2 . 26048 1 184 . 1 1 23 23 GLU HB3 H 1 2.023 0.020 . 1 . . . . 23 GLU HB3 . 26048 1 185 . 1 1 23 23 GLU HG2 H 1 2.444 0.020 . 1 . . . . 23 GLU HG2 . 26048 1 186 . 1 1 23 23 GLU HG3 H 1 2.444 0.020 . 1 . . . . 23 GLU HG3 . 26048 1 187 . 1 1 23 23 GLU C C 13 178.899 0.3 . 1 . . . . 23 GLU C . 26048 1 188 . 1 1 23 23 GLU CA C 13 59.261 0.3 . 1 . . . . 23 GLU CA . 26048 1 189 . 1 1 23 23 GLU CB C 13 28.712 0.3 . 1 . . . . 23 GLU CB . 26048 1 190 . 1 1 23 23 GLU CG C 13 35.712 0.3 . 1 . . . . 23 GLU CG . 26048 1 191 . 1 1 23 23 GLU N N 15 117.368 0.3 . 1 . . . . 23 GLU N . 26048 1 192 . 1 1 24 24 ALA H H 1 7.527 0.020 . 1 . . . . 24 ALA H . 26048 1 193 . 1 1 24 24 ALA HA H 1 4.041 0.020 . 1 . . . . 24 ALA HA . 26048 1 194 . 1 1 24 24 ALA HB1 H 1 1.484 0.020 . 1 . . . . 24 ALA HB . 26048 1 195 . 1 1 24 24 ALA HB2 H 1 1.484 0.020 . 1 . . . . 24 ALA HB . 26048 1 196 . 1 1 24 24 ALA HB3 H 1 1.484 0.020 . 1 . . . . 24 ALA HB . 26048 1 197 . 1 1 24 24 ALA C C 13 181.041 0.3 . 1 . . . . 24 ALA C . 26048 1 198 . 1 1 24 24 ALA CA C 13 54.989 0.3 . 1 . . . . 24 ALA CA . 26048 1 199 . 1 1 24 24 ALA CB C 13 17.951 0.3 . 1 . . . . 24 ALA CB . 26048 1 200 . 1 1 24 24 ALA N N 15 121.021 0.3 . 1 . . . . 24 ALA N . 26048 1 201 . 1 1 25 25 ILE H H 1 7.885 0.020 . 1 . . . . 25 ILE H . 26048 1 202 . 1 1 25 25 ILE HA H 1 3.250 0.020 . 1 . . . . 25 ILE HA . 26048 1 203 . 1 1 25 25 ILE HB H 1 1.856 0.020 . 1 . . . . 25 ILE HB . 26048 1 204 . 1 1 25 25 ILE HG12 H 1 1.883 0.020 . 2 . . . . 25 ILE HG12 . 26048 1 205 . 1 1 25 25 ILE HG13 H 1 0.702 0.020 . 2 . . . . 25 ILE HG13 . 26048 1 206 . 1 1 25 25 ILE HG21 H 1 0.737 0.020 . 1 . . . . 25 ILE HG2 . 26048 1 207 . 1 1 25 25 ILE HG22 H 1 0.737 0.020 . 1 . . . . 25 ILE HG2 . 26048 1 208 . 1 1 25 25 ILE HG23 H 1 0.737 0.020 . 1 . . . . 25 ILE HG2 . 26048 1 209 . 1 1 25 25 ILE HD11 H 1 0.870 0.020 . 1 . . . . 25 ILE HD1 . 26048 1 210 . 1 1 25 25 ILE HD12 H 1 0.870 0.020 . 1 . . . . 25 ILE HD1 . 26048 1 211 . 1 1 25 25 ILE HD13 H 1 0.870 0.020 . 1 . . . . 25 ILE HD1 . 26048 1 212 . 1 1 25 25 ILE C C 13 176.130 0.3 . 1 . . . . 25 ILE C . 26048 1 213 . 1 1 25 25 ILE CA C 13 65.870 0.3 . 1 . . . . 25 ILE CA . 26048 1 214 . 1 1 25 25 ILE CB C 13 37.436 0.3 . 1 . . . . 25 ILE CB . 26048 1 215 . 1 1 25 25 ILE CG1 C 13 31.274 0.3 . 1 . . . . 25 ILE CG1 . 26048 1 216 . 1 1 25 25 ILE CG2 C 13 16.712 0.3 . 1 . . . . 25 ILE CG2 . 26048 1 217 . 1 1 25 25 ILE CD1 C 13 15.575 0.3 . 1 . . . . 25 ILE CD1 . 26048 1 218 . 1 1 25 25 ILE N N 15 122.184 0.3 . 1 . . . . 25 ILE N . 26048 1 219 . 1 1 26 26 LYS H H 1 8.267 0.020 . 1 . . . . 26 LYS H . 26048 1 220 . 1 1 26 26 LYS HA H 1 3.180 0.020 . 1 . . . . 26 LYS HA . 26048 1 221 . 1 1 26 26 LYS HB2 H 1 1.211 0.020 . 2 . . . . 26 LYS HB2 . 26048 1 222 . 1 1 26 26 LYS HB3 H 1 0.687 0.020 . 2 . . . . 26 LYS HB3 . 26048 1 223 . 1 1 26 26 LYS HG2 H 1 0.856 0.020 . 1 . . . . 26 LYS HG2 . 26048 1 224 . 1 1 26 26 LYS HG3 H 1 0.856 0.020 . 1 . . . . 26 LYS HG3 . 26048 1 225 . 1 1 26 26 LYS HD2 H 1 1.725 0.020 . 1 . . . . 26 LYS HD2 . 26048 1 226 . 1 1 26 26 LYS HD3 H 1 1.725 0.020 . 1 . . . . 26 LYS HD3 . 26048 1 227 . 1 1 26 26 LYS HE2 H 1 2.905 0.020 . 1 . . . . 26 LYS HE2 . 26048 1 228 . 1 1 26 26 LYS HE3 H 1 2.905 0.020 . 1 . . . . 26 LYS HE3 . 26048 1 229 . 1 1 26 26 LYS C C 13 178.448 0.3 . 1 . . . . 26 LYS C . 26048 1 230 . 1 1 26 26 LYS CA C 13 60.314 0.3 . 1 . . . . 26 LYS CA . 26048 1 231 . 1 1 26 26 LYS CB C 13 32.034 0.3 . 1 . . . . 26 LYS CB . 26048 1 232 . 1 1 26 26 LYS CG C 13 25.401 0.3 . 1 . . . . 26 LYS CG . 26048 1 233 . 1 1 26 26 LYS CD C 13 29.588 0.3 . 1 . . . . 26 LYS CD . 26048 1 234 . 1 1 26 26 LYS CE C 13 42.334 0.3 . 1 . . . . 26 LYS CE . 26048 1 235 . 1 1 26 26 LYS N N 15 121.216 0.3 . 1 . . . . 26 LYS N . 26048 1 236 . 1 1 27 27 GLN H H 1 7.647 0.020 . 1 . . . . 27 GLN H . 26048 1 237 . 1 1 27 27 GLN HA H 1 3.915 0.020 . 1 . . . . 27 GLN HA . 26048 1 238 . 1 1 27 27 GLN HB2 H 1 2.049 0.020 . 1 . . . . 27 GLN HB2 . 26048 1 239 . 1 1 27 27 GLN HB3 H 1 2.049 0.020 . 1 . . . . 27 GLN HB3 . 26048 1 240 . 1 1 27 27 GLN HG2 H 1 2.261 0.020 . 2 . . . . 27 GLN HG2 . 26048 1 241 . 1 1 27 27 GLN HG3 H 1 2.460 0.020 . 2 . . . . 27 GLN HG3 . 26048 1 242 . 1 1 27 27 GLN C C 13 180.141 0.3 . 1 . . . . 27 GLN C . 26048 1 243 . 1 1 27 27 GLN CA C 13 58.943 0.3 . 1 . . . . 27 GLN CA . 26048 1 244 . 1 1 27 27 GLN CB C 13 28.283 0.3 . 1 . . . . 27 GLN CB . 26048 1 245 . 1 1 27 27 GLN CG C 13 33.710 0.3 . 1 . . . . 27 GLN CG . 26048 1 246 . 1 1 27 27 GLN N N 15 116.048 0.3 . 1 . . . . 27 GLN N . 26048 1 247 . 1 1 28 28 LYS H H 1 8.010 0.020 . 1 . . . . 28 LYS H . 26048 1 248 . 1 1 28 28 LYS HA H 1 4.013 0.020 . 1 . . . . 28 LYS HA . 26048 1 249 . 1 1 28 28 LYS HB2 H 1 1.856 0.020 . 1 . . . . 28 LYS HB2 . 26048 1 250 . 1 1 28 28 LYS HB3 H 1 1.856 0.020 . 1 . . . . 28 LYS HB3 . 26048 1 251 . 1 1 28 28 LYS HG2 H 1 1.467 0.020 . 1 . . . . 28 LYS HG2 . 26048 1 252 . 1 1 28 28 LYS HG3 H 1 1.467 0.020 . 1 . . . . 28 LYS HG3 . 26048 1 253 . 1 1 28 28 LYS HD2 H 1 1.638 0.020 . 1 . . . . 28 LYS HD2 . 26048 1 254 . 1 1 28 28 LYS HD3 H 1 1.638 0.020 . 1 . . . . 28 LYS HD3 . 26048 1 255 . 1 1 28 28 LYS HE2 H 1 2.873 0.020 . 1 . . . . 28 LYS HE2 . 26048 1 256 . 1 1 28 28 LYS HE3 H 1 2.873 0.020 . 1 . . . . 28 LYS HE3 . 26048 1 257 . 1 1 28 28 LYS C C 13 177.811 0.3 . 1 . . . . 28 LYS C . 26048 1 258 . 1 1 28 28 LYS CA C 13 58.504 0.3 . 1 . . . . 28 LYS CA . 26048 1 259 . 1 1 28 28 LYS CB C 13 31.695 0.3 . 1 . . . . 28 LYS CB . 26048 1 260 . 1 1 28 28 LYS CG C 13 24.506 0.3 . 1 . . . . 28 LYS CG . 26048 1 261 . 1 1 28 28 LYS CD C 13 28.267 0.3 . 1 . . . . 28 LYS CD . 26048 1 262 . 1 1 28 28 LYS CE C 13 41.588 0.3 . 1 . . . . 28 LYS CE . 26048 1 263 . 1 1 28 28 LYS N N 15 122.901 0.3 . 1 . . . . 28 LYS N . 26048 1 264 . 1 1 29 29 ALA H H 1 8.292 0.020 . 1 . . . . 29 ALA H . 26048 1 265 . 1 1 29 29 ALA HA H 1 4.198 0.020 . 1 . . . . 29 ALA HA . 26048 1 266 . 1 1 29 29 ALA HB1 H 1 1.418 0.020 . 1 . . . . 29 ALA HB . 26048 1 267 . 1 1 29 29 ALA HB2 H 1 1.418 0.020 . 1 . . . . 29 ALA HB . 26048 1 268 . 1 1 29 29 ALA HB3 H 1 1.418 0.020 . 1 . . . . 29 ALA HB . 26048 1 269 . 1 1 29 29 ALA C C 13 176.643 0.3 . 1 . . . . 29 ALA C . 26048 1 270 . 1 1 29 29 ALA CA C 13 52.440 0.3 . 1 . . . . 29 ALA CA . 26048 1 271 . 1 1 29 29 ALA CB C 13 19.510 0.3 . 1 . . . . 29 ALA CB . 26048 1 272 . 1 1 29 29 ALA N N 15 118.819 0.3 . 1 . . . . 29 ALA N . 26048 1 273 . 1 1 30 30 GLY H H 1 7.787 0.020 . 1 . . . . 30 GLY H . 26048 1 274 . 1 1 30 30 GLY HA2 H 1 4.092 0.020 . 1 . . . . 30 GLY HA2 . 26048 1 275 . 1 1 30 30 GLY HA3 H 1 4.092 0.020 . 1 . . . . 30 GLY HA3 . 26048 1 276 . 1 1 30 30 GLY C C 13 176.297 0.3 . 1 . . . . 30 GLY C . 26048 1 277 . 1 1 30 30 GLY CA C 13 46.280 0.3 . 1 . . . . 30 GLY CA . 26048 1 278 . 1 1 30 30 GLY N N 15 106.352 0.3 . 1 . . . . 30 GLY N . 26048 1 279 . 1 1 31 31 LEU H H 1 7.813 0.020 . 1 . . . . 31 LEU H . 26048 1 280 . 1 1 31 31 LEU HA H 1 4.783 0.020 . 1 . . . . 31 LEU HA . 26048 1 281 . 1 1 31 31 LEU HB2 H 1 1.926 0.020 . 2 . . . . 31 LEU HB2 . 26048 1 282 . 1 1 31 31 LEU HB3 H 1 1.613 0.020 . 2 . . . . 31 LEU HB3 . 26048 1 283 . 1 1 31 31 LEU HG H 1 1.261 0.020 . 1 . . . . 31 LEU HG . 26048 1 284 . 1 1 31 31 LEU HD11 H 1 1.656 0.020 . 1 . . . . 31 LEU HD1 . 26048 1 285 . 1 1 31 31 LEU HD12 H 1 1.656 0.020 . 1 . . . . 31 LEU HD1 . 26048 1 286 . 1 1 31 31 LEU HD13 H 1 1.656 0.020 . 1 . . . . 31 LEU HD1 . 26048 1 287 . 1 1 31 31 LEU HD21 H 1 1.174 0.020 . 1 . . . . 31 LEU HD2 . 26048 1 288 . 1 1 31 31 LEU HD22 H 1 1.174 0.020 . 1 . . . . 31 LEU HD2 . 26048 1 289 . 1 1 31 31 LEU HD23 H 1 1.174 0.020 . 1 . . . . 31 LEU HD2 . 26048 1 290 . 1 1 31 31 LEU C C 13 176.900 0.3 . 1 . . . . 31 LEU C . 26048 1 291 . 1 1 31 31 LEU CA C 13 53.475 0.3 . 1 . . . . 31 LEU CA . 26048 1 292 . 1 1 31 31 LEU CB C 13 41.532 0.3 . 1 . . . . 31 LEU CB . 26048 1 293 . 1 1 31 31 LEU CG C 13 27.713 0.3 . 1 . . . . 31 LEU CG . 26048 1 294 . 1 1 31 31 LEU CD1 C 13 26.285 0.3 . 1 . . . . 31 LEU CD1 . 26048 1 295 . 1 1 31 31 LEU CD2 C 13 23.300 0.3 . 1 . . . . 31 LEU CD2 . 26048 1 296 . 1 1 31 31 LEU N N 15 119.731 0.3 . 1 . . . . 31 LEU N . 26048 1 297 . 1 1 32 32 GLU H H 1 8.877 0.020 . 1 . . . . 32 GLU H . 26048 1 298 . 1 1 32 32 GLU HA H 1 3.857 0.020 . 1 . . . . 32 GLU HA . 26048 1 299 . 1 1 32 32 GLU HB2 H 1 2.039 0.020 . 2 . . . . 32 GLU HB2 . 26048 1 300 . 1 1 32 32 GLU HB3 H 1 1.876 0.020 . 2 . . . . 32 GLU HB3 . 26048 1 301 . 1 1 32 32 GLU HG2 H 1 2.210 0.020 . 2 . . . . 32 GLU HG2 . 26048 1 302 . 1 1 32 32 GLU HG3 H 1 1.991 0.020 . 2 . . . . 32 GLU HG3 . 26048 1 303 . 1 1 32 32 GLU C C 13 176.449 0.3 . 1 . . . . 32 GLU C . 26048 1 304 . 1 1 32 32 GLU CA C 13 59.173 0.3 . 1 . . . . 32 GLU CA . 26048 1 305 . 1 1 32 32 GLU CB C 13 29.430 0.3 . 1 . . . . 32 GLU CB . 26048 1 306 . 1 1 32 32 GLU CG C 13 35.956 0.3 . 1 . . . . 32 GLU CG . 26048 1 307 . 1 1 32 32 GLU N N 15 119.512 0.3 . 1 . . . . 32 GLU N . 26048 1 308 . 1 1 33 33 ASP H H 1 8.617 0.020 . 1 . . . . 33 ASP H . 26048 1 309 . 1 1 33 33 ASP HA H 1 4.507 0.020 . 1 . . . . 33 ASP HA . 26048 1 310 . 1 1 33 33 ASP HB2 H 1 2.745 0.020 . 2 . . . . 33 ASP HB2 . 26048 1 311 . 1 1 33 33 ASP HB3 H 1 2.637 0.020 . 2 . . . . 33 ASP HB3 . 26048 1 312 . 1 1 33 33 ASP C C 13 175.986 0.3 . 1 . . . . 33 ASP C . 26048 1 313 . 1 1 33 33 ASP CA C 13 54.711 0.3 . 1 . . . . 33 ASP CA . 26048 1 314 . 1 1 33 33 ASP CB C 13 40.396 0.3 . 1 . . . . 33 ASP CB . 26048 1 315 . 1 1 33 33 ASP N N 15 116.252 0.3 . 1 . . . . 33 ASP N . 26048 1 316 . 1 1 34 34 ILE H H 1 7.641 0.020 . 1 . . . . 34 ILE H . 26048 1 317 . 1 1 34 34 ILE HA H 1 4.118 0.020 . 1 . . . . 34 ILE HA . 26048 1 318 . 1 1 34 34 ILE HB H 1 1.876 0.020 . 1 . . . . 34 ILE HB . 26048 1 319 . 1 1 34 34 ILE HG12 H 1 1.236 0.020 . 2 . . . . 34 ILE HG12 . 26048 1 320 . 1 1 34 34 ILE HG13 H 1 1.563 0.020 . 2 . . . . 34 ILE HG13 . 26048 1 321 . 1 1 34 34 ILE HG21 H 1 0.357 0.020 . 1 . . . . 34 ILE HG2 . 26048 1 322 . 1 1 34 34 ILE HG22 H 1 0.357 0.020 . 1 . . . . 34 ILE HG2 . 26048 1 323 . 1 1 34 34 ILE HG23 H 1 0.357 0.020 . 1 . . . . 34 ILE HG2 . 26048 1 324 . 1 1 34 34 ILE HD11 H 1 1.067 0.020 . 1 . . . . 34 ILE HD1 . 26048 1 325 . 1 1 34 34 ILE HD12 H 1 1.067 0.020 . 1 . . . . 34 ILE HD1 . 26048 1 326 . 1 1 34 34 ILE HD13 H 1 1.067 0.020 . 1 . . . . 34 ILE HD1 . 26048 1 327 . 1 1 34 34 ILE C C 13 175.028 0.3 . 1 . . . . 34 ILE C . 26048 1 328 . 1 1 34 34 ILE CA C 13 60.540 0.3 . 1 . . . . 34 ILE CA . 26048 1 329 . 1 1 34 34 ILE CB C 13 38.084 0.3 . 1 . . . . 34 ILE CB . 26048 1 330 . 1 1 34 34 ILE CG1 C 13 27.044 0.3 . 1 . . . . 34 ILE CG1 . 26048 1 331 . 1 1 34 34 ILE CG2 C 13 16.384 0.3 . 1 . . . . 34 ILE CG2 . 26048 1 332 . 1 1 34 34 ILE CD1 C 13 13.317 0.3 . 1 . . . . 34 ILE CD1 . 26048 1 333 . 1 1 34 34 ILE N N 15 121.206 0.3 . 1 . . . . 34 ILE N . 26048 1 334 . 1 1 35 35 ASP H H 1 8.625 0.020 . 1 . . . . 35 ASP H . 26048 1 335 . 1 1 35 35 ASP HA H 1 4.434 0.020 . 1 . . . . 35 ASP HA . 26048 1 336 . 1 1 35 35 ASP HB2 H 1 2.730 0.020 . 2 . . . . 35 ASP HB2 . 26048 1 337 . 1 1 35 35 ASP HB3 H 1 2.544 0.020 . 2 . . . . 35 ASP HB3 . 26048 1 338 . 1 1 35 35 ASP C C 13 176.094 0.3 . 1 . . . . 35 ASP C . 26048 1 339 . 1 1 35 35 ASP CA C 13 56.403 0.3 . 1 . . . . 35 ASP CA . 26048 1 340 . 1 1 35 35 ASP CB C 13 41.090 0.3 . 1 . . . . 35 ASP CB . 26048 1 341 . 1 1 35 35 ASP N N 15 127.729 0.3 . 1 . . . . 35 ASP N . 26048 1 342 . 1 1 36 36 PHE H H 1 7.346 0.020 . 1 . . . . 36 PHE H . 26048 1 343 . 1 1 36 36 PHE HA H 1 4.795 0.020 . 1 . . . . 36 PHE HA . 26048 1 344 . 1 1 36 36 PHE HB2 H 1 3.329 0.020 . 2 . . . . 36 PHE HB2 . 26048 1 345 . 1 1 36 36 PHE HB3 H 1 3.052 0.020 . 2 . . . . 36 PHE HB3 . 26048 1 346 . 1 1 36 36 PHE C C 13 173.991 0.3 . 1 . . . . 36 PHE C . 26048 1 347 . 1 1 36 36 PHE CA C 13 55.663 0.3 . 1 . . . . 36 PHE CA . 26048 1 348 . 1 1 36 36 PHE CB C 13 40.698 0.3 . 1 . . . . 36 PHE CB . 26048 1 349 . 1 1 36 36 PHE N N 15 114.117 0.3 . 1 . . . . 36 PHE N . 26048 1 350 . 1 1 37 37 PHE H H 1 9.575 0.020 . 1 . . . . 37 PHE H . 26048 1 351 . 1 1 37 37 PHE HA H 1 4.986 0.020 . 1 . . . . 37 PHE HA . 26048 1 352 . 1 1 37 37 PHE HB2 H 1 3.243 0.020 . 2 . . . . 37 PHE HB2 . 26048 1 353 . 1 1 37 37 PHE HB3 H 1 3.165 0.020 . 2 . . . . 37 PHE HB3 . 26048 1 354 . 1 1 37 37 PHE C C 13 175.426 0.3 . 1 . . . . 37 PHE C . 26048 1 355 . 1 1 37 37 PHE CA C 13 58.384 0.3 . 1 . . . . 37 PHE CA . 26048 1 356 . 1 1 37 37 PHE CB C 13 40.937 0.3 . 1 . . . . 37 PHE CB . 26048 1 357 . 1 1 37 37 PHE N N 15 119.748 0.3 . 1 . . . . 37 PHE N . 26048 1 358 . 1 1 38 38 VAL H H 1 9.153 0.020 . 1 . . . . 38 VAL H . 26048 1 359 . 1 1 38 38 VAL HA H 1 4.410 0.020 . 1 . . . . 38 VAL HA . 26048 1 360 . 1 1 38 38 VAL HB H 1 2.561 0.020 . 1 . . . . 38 VAL HB . 26048 1 361 . 1 1 38 38 VAL HG21 H 1 1.269 0.020 . 1 . . . . 38 VAL HG2 . 26048 1 362 . 1 1 38 38 VAL HG22 H 1 1.269 0.020 . 1 . . . . 38 VAL HG2 . 26048 1 363 . 1 1 38 38 VAL HG23 H 1 1.269 0.020 . 1 . . . . 38 VAL HG2 . 26048 1 364 . 1 1 38 38 VAL C C 13 179.132 0.3 . 1 . . . . 38 VAL C . 26048 1 365 . 1 1 38 38 VAL CA C 13 63.019 0.3 . 1 . . . . 38 VAL CA . 26048 1 366 . 1 1 38 38 VAL CB C 13 32.354 0.3 . 1 . . . . 38 VAL CB . 26048 1 367 . 1 1 38 38 VAL CG1 C 13 21.572 0.3 . 1 . . . . 38 VAL CG1 . 26048 1 368 . 1 1 38 38 VAL CG2 C 13 21.897 0.3 . 1 . . . . 38 VAL CG2 . 26048 1 369 . 1 1 38 38 VAL N N 15 125.894 0.3 . 1 . . . . 38 VAL N . 26048 1 370 . 1 1 39 39 GLY H H 1 9.360 0.020 . 1 . . . . 39 GLY H . 26048 1 371 . 1 1 39 39 GLY HA2 H 1 4.555 0.020 . 2 . . . . 39 GLY HA2 . 26048 1 372 . 1 1 39 39 GLY HA3 H 1 4.110 0.020 . 2 . . . . 39 GLY HA3 . 26048 1 373 . 1 1 39 39 GLY C C 13 174.823 0.3 . 1 . . . . 39 GLY C . 26048 1 374 . 1 1 39 39 GLY CA C 13 47.742 0.3 . 1 . . . . 39 GLY CA . 26048 1 375 . 1 1 39 39 GLY N N 15 116.737 0.3 . 1 . . . . 39 GLY N . 26048 1 376 . 1 1 40 40 MET H H 1 8.029 0.020 . 1 . . . . 40 MET H . 26048 1 377 . 1 1 40 40 MET HA H 1 5.106 0.020 . 1 . . . . 40 MET HA . 26048 1 378 . 1 1 40 40 MET HB2 H 1 1.935 0.020 . 1 . . . . 40 MET HB2 . 26048 1 379 . 1 1 40 40 MET HB3 H 1 1.935 0.020 . 1 . . . . 40 MET HB3 . 26048 1 380 . 1 1 40 40 MET HG2 H 1 1.594 0.020 . 1 . . . . 40 MET HG2 . 26048 1 381 . 1 1 40 40 MET HG3 H 1 1.594 0.020 . 1 . . . . 40 MET HG3 . 26048 1 382 . 1 1 40 40 MET C C 13 175.875 0.3 . 1 . . . . 40 MET C . 26048 1 383 . 1 1 40 40 MET CA C 13 54.715 0.3 . 1 . . . . 40 MET CA . 26048 1 384 . 1 1 40 40 MET CB C 13 31.011 0.3 . 1 . . . . 40 MET CB . 26048 1 385 . 1 1 40 40 MET CG C 13 29.133 0.3 . 1 . . . . 40 MET CG . 26048 1 386 . 1 1 40 40 MET N N 15 112.850 0.3 . 1 . . . . 40 MET N . 26048 1 387 . 1 1 41 41 GLU H H 1 8.195 0.020 . 1 . . . . 41 GLU H . 26048 1 388 . 1 1 41 41 GLU HA H 1 4.555 0.020 . 1 . . . . 41 GLU HA . 26048 1 389 . 1 1 41 41 GLU HB2 H 1 2.321 0.020 . 2 . . . . 41 GLU HB2 . 26048 1 390 . 1 1 41 41 GLU HB3 H 1 2.192 0.020 . 2 . . . . 41 GLU HB3 . 26048 1 391 . 1 1 41 41 GLU HG2 H 1 2.072 0.020 . 2 . . . . 41 GLU HG2 . 26048 1 392 . 1 1 41 41 GLU HG3 H 1 2.001 0.020 . 2 . . . . 41 GLU HG3 . 26048 1 393 . 1 1 41 41 GLU C C 13 174.679 0.3 . 1 . . . . 41 GLU C . 26048 1 394 . 1 1 41 41 GLU CA C 13 55.271 0.3 . 1 . . . . 41 GLU CA . 26048 1 395 . 1 1 41 41 GLU CB C 13 31.899 0.3 . 1 . . . . 41 GLU CB . 26048 1 396 . 1 1 41 41 GLU CG C 13 35.858 0.3 . 1 . . . . 41 GLU CG . 26048 1 397 . 1 1 41 41 GLU N N 15 121.615 0.3 . 1 . . . . 41 GLU N . 26048 1 398 . 1 1 42 42 ALA H H 1 8.684 0.020 . 1 . . . . 42 ALA H . 26048 1 399 . 1 1 42 42 ALA HA H 1 4.431 0.020 . 1 . . . . 42 ALA HA . 26048 1 400 . 1 1 42 42 ALA HB1 H 1 1.071 0.020 . 1 . . . . 42 ALA HB . 26048 1 401 . 1 1 42 42 ALA HB2 H 1 1.071 0.020 . 1 . . . . 42 ALA HB . 26048 1 402 . 1 1 42 42 ALA HB3 H 1 1.071 0.020 . 1 . . . . 42 ALA HB . 26048 1 403 . 1 1 42 42 ALA C C 13 176.975 0.3 . 1 . . . . 42 ALA C . 26048 1 404 . 1 1 42 42 ALA CA C 13 52.332 0.3 . 1 . . . . 42 ALA CA . 26048 1 405 . 1 1 42 42 ALA CB C 13 18.708 0.3 . 1 . . . . 42 ALA CB . 26048 1 406 . 1 1 42 42 ALA N N 15 127.655 0.3 . 1 . . . . 42 ALA N . 26048 1 407 . 1 1 43 43 TYR H H 1 8.305 0.020 . 1 . . . . 43 TYR H . 26048 1 408 . 1 1 43 43 TYR HA H 1 4.947 0.020 . 1 . . . . 43 TYR HA . 26048 1 409 . 1 1 43 43 TYR HB2 H 1 3.835 0.020 . 2 . . . . 43 TYR HB2 . 26048 1 410 . 1 1 43 43 TYR HB3 H 1 3.565 0.020 . 2 . . . . 43 TYR HB3 . 26048 1 411 . 1 1 43 43 TYR C C 13 176.502 0.3 . 1 . . . . 43 TYR C . 26048 1 412 . 1 1 43 43 TYR CA C 13 57.906 0.3 . 1 . . . . 43 TYR CA . 26048 1 413 . 1 1 43 43 TYR CB C 13 41.246 0.3 . 1 . . . . 43 TYR CB . 26048 1 414 . 1 1 43 43 TYR N N 15 121.938 0.3 . 1 . . . . 43 TYR N . 26048 1 415 . 1 1 44 44 SER H H 1 9.597 0.020 . 1 . . . . 44 SER H . 26048 1 416 . 1 1 44 44 SER HA H 1 4.715 0.020 . 1 . . . . 44 SER HA . 26048 1 417 . 1 1 44 44 SER HB2 H 1 4.492 0.020 . 2 . . . . 44 SER HB2 . 26048 1 418 . 1 1 44 44 SER HB3 H 1 4.262 0.020 . 2 . . . . 44 SER HB3 . 26048 1 419 . 1 1 44 44 SER CA C 13 59.298 0.3 . 1 . . . . 44 SER CA . 26048 1 420 . 1 1 44 44 SER CB C 13 63.461 0.3 . 1 . . . . 44 SER CB . 26048 1 421 . 1 1 44 44 SER N N 15 117.200 0.3 . 1 . . . . 44 SER N . 26048 1 422 . 1 1 45 45 ASP HA H 1 5.190 0.020 . 1 . . . . 45 ASP HA . 26048 1 423 . 1 1 45 45 ASP HB2 H 1 3.500 0.020 . 1 . . . . 45 ASP HB2 . 26048 1 424 . 1 1 45 45 ASP HB3 H 1 3.500 0.020 . 1 . . . . 45 ASP HB3 . 26048 1 425 . 1 1 45 45 ASP C C 13 177.555 0.3 . 1 . . . . 45 ASP C . 26048 1 426 . 1 1 45 45 ASP CA C 13 59.076 0.3 . 1 . . . . 45 ASP CA . 26048 1 427 . 1 1 45 45 ASP CB C 13 40.189 0.3 . 1 . . . . 45 ASP CB . 26048 1 428 . 1 1 46 46 ASP H H 1 8.828 0.020 . 1 . . . . 46 ASP H . 26048 1 429 . 1 1 46 46 ASP HA H 1 5.109 0.020 . 1 . . . . 46 ASP HA . 26048 1 430 . 1 1 46 46 ASP HB2 H 1 2.614 0.020 . 2 . . . . 46 ASP HB2 . 26048 1 431 . 1 1 46 46 ASP HB3 H 1 2.780 0.020 . 2 . . . . 46 ASP HB3 . 26048 1 432 . 1 1 46 46 ASP C C 13 177.703 0.3 . 1 . . . . 46 ASP C . 26048 1 433 . 1 1 46 46 ASP CA C 13 57.689 0.3 . 1 . . . . 46 ASP CA . 26048 1 434 . 1 1 46 46 ASP CB C 13 40.663 0.3 . 1 . . . . 46 ASP CB . 26048 1 435 . 1 1 46 46 ASP N N 15 118.326 0.3 . 1 . . . . 46 ASP N . 26048 1 436 . 1 1 47 47 VAL H H 1 7.980 0.020 . 1 . . . . 47 VAL H . 26048 1 437 . 1 1 47 47 VAL HA H 1 4.047 0.020 . 1 . . . . 47 VAL HA . 26048 1 438 . 1 1 47 47 VAL HB H 1 2.741 0.020 . 1 . . . . 47 VAL HB . 26048 1 439 . 1 1 47 47 VAL HG11 H 1 1.354 0.020 . 1 . . . . 47 VAL HG1 . 26048 1 440 . 1 1 47 47 VAL HG12 H 1 1.354 0.020 . 1 . . . . 47 VAL HG1 . 26048 1 441 . 1 1 47 47 VAL HG13 H 1 1.354 0.020 . 1 . . . . 47 VAL HG1 . 26048 1 442 . 1 1 47 47 VAL HG21 H 1 1.684 0.020 . 1 . . . . 47 VAL HG2 . 26048 1 443 . 1 1 47 47 VAL HG22 H 1 1.684 0.020 . 1 . . . . 47 VAL HG2 . 26048 1 444 . 1 1 47 47 VAL HG23 H 1 1.684 0.020 . 1 . . . . 47 VAL HG2 . 26048 1 445 . 1 1 47 47 VAL C C 13 177.921 0.3 . 1 . . . . 47 VAL C . 26048 1 446 . 1 1 47 47 VAL CA C 13 67.270 0.3 . 1 . . . . 47 VAL CA . 26048 1 447 . 1 1 47 47 VAL CB C 13 32.884 0.3 . 1 . . . . 47 VAL CB . 26048 1 448 . 1 1 47 47 VAL CG1 C 13 21.377 0.3 . 1 . . . . 47 VAL CG1 . 26048 1 449 . 1 1 47 47 VAL CG2 C 13 23.167 0.3 . 1 . . . . 47 VAL CG2 . 26048 1 450 . 1 1 47 47 VAL N N 15 119.002 0.3 . 1 . . . . 47 VAL N . 26048 1 451 . 1 1 48 48 THR H H 1 7.786 0.020 . 1 . . . . 48 THR H . 26048 1 452 . 1 1 48 48 THR HA H 1 4.361 0.020 . 1 . . . . 48 THR HA . 26048 1 453 . 1 1 48 48 THR HB H 1 3.464 0.020 . 1 . . . . 48 THR HB . 26048 1 454 . 1 1 48 48 THR HG21 H 1 1.952 0.020 . 1 . . . . 48 THR HG2 . 26048 1 455 . 1 1 48 48 THR HG22 H 1 1.952 0.020 . 1 . . . . 48 THR HG2 . 26048 1 456 . 1 1 48 48 THR HG23 H 1 1.952 0.020 . 1 . . . . 48 THR HG2 . 26048 1 457 . 1 1 48 48 THR C C 13 176.690 0.3 . 1 . . . . 48 THR C . 26048 1 458 . 1 1 48 48 THR CA C 13 67.722 0.3 . 1 . . . . 48 THR CA . 26048 1 459 . 1 1 48 48 THR CB C 13 70.091 0.3 . 1 . . . . 48 THR CB . 26048 1 460 . 1 1 48 48 THR CG2 C 13 21.951 0.3 . 1 . . . . 48 THR CG2 . 26048 1 461 . 1 1 48 48 THR N N 15 115.700 0.3 . 1 . . . . 48 THR N . 26048 1 462 . 1 1 49 49 TYR H H 1 7.974 0.020 . 1 . . . . 49 TYR H . 26048 1 463 . 1 1 49 49 TYR HA H 1 4.407 0.020 . 1 . . . . 49 TYR HA . 26048 1 464 . 1 1 49 49 TYR HB2 H 1 3.486 0.020 . 1 . . . . 49 TYR HB2 . 26048 1 465 . 1 1 49 49 TYR HB3 H 1 3.486 0.020 . 1 . . . . 49 TYR HB3 . 26048 1 466 . 1 1 49 49 TYR C C 13 180.346 0.3 . 1 . . . . 49 TYR C . 26048 1 467 . 1 1 49 49 TYR CA C 13 62.117 0.3 . 1 . . . . 49 TYR CA . 26048 1 468 . 1 1 49 49 TYR CB C 13 37.430 0.3 . 1 . . . . 49 TYR CB . 26048 1 469 . 1 1 49 49 TYR N N 15 119.107 0.3 . 1 . . . . 49 TYR N . 26048 1 470 . 1 1 50 50 HIS H H 1 9.453 0.020 . 1 . . . . 50 HIS H . 26048 1 471 . 1 1 50 50 HIS HA H 1 4.882 0.020 . 1 . . . . 50 HIS HA . 26048 1 472 . 1 1 50 50 HIS HB2 H 1 3.671 0.020 . 2 . . . . 50 HIS HB2 . 26048 1 473 . 1 1 50 50 HIS HB3 H 1 3.465 0.020 . 2 . . . . 50 HIS HB3 . 26048 1 474 . 1 1 50 50 HIS C C 13 178.829 0.3 . 1 . . . . 50 HIS C . 26048 1 475 . 1 1 50 50 HIS CA C 13 57.913 0.3 . 1 . . . . 50 HIS CA . 26048 1 476 . 1 1 50 50 HIS CB C 13 28.986 0.3 . 1 . . . . 50 HIS CB . 26048 1 477 . 1 1 50 50 HIS N N 15 119.270 0.3 . 1 . . . . 50 HIS N . 26048 1 478 . 1 1 51 51 LEU H H 1 8.546 0.020 . 1 . . . . 51 LEU H . 26048 1 479 . 1 1 51 51 LEU HA H 1 4.153 0.020 . 1 . . . . 51 LEU HA . 26048 1 480 . 1 1 51 51 LEU HB2 H 1 1.648 0.020 . 1 . . . . 51 LEU HB2 . 26048 1 481 . 1 1 51 51 LEU HB3 H 1 1.648 0.020 . 1 . . . . 51 LEU HB3 . 26048 1 482 . 1 1 51 51 LEU HG H 1 1.446 0.020 . 1 . . . . 51 LEU HG . 26048 1 483 . 1 1 51 51 LEU HD11 H 1 1.107 0.020 . 1 . . . . 51 LEU HD1 . 26048 1 484 . 1 1 51 51 LEU HD12 H 1 1.107 0.020 . 1 . . . . 51 LEU HD1 . 26048 1 485 . 1 1 51 51 LEU HD13 H 1 1.107 0.020 . 1 . . . . 51 LEU HD1 . 26048 1 486 . 1 1 51 51 LEU HD21 H 1 0.735 0.020 . 1 . . . . 51 LEU HD2 . 26048 1 487 . 1 1 51 51 LEU HD22 H 1 0.735 0.020 . 1 . . . . 51 LEU HD2 . 26048 1 488 . 1 1 51 51 LEU HD23 H 1 0.735 0.020 . 1 . . . . 51 LEU HD2 . 26048 1 489 . 1 1 51 51 LEU C C 13 178.375 0.3 . 1 . . . . 51 LEU C . 26048 1 490 . 1 1 51 51 LEU CA C 13 59.074 0.3 . 1 . . . . 51 LEU CA . 26048 1 491 . 1 1 51 51 LEU CB C 13 43.266 0.3 . 1 . . . . 51 LEU CB . 26048 1 492 . 1 1 51 51 LEU CG C 13 25.932 0.3 . 1 . . . . 51 LEU CG . 26048 1 493 . 1 1 51 51 LEU CD1 C 13 24.401 0.3 . 1 . . . . 51 LEU CD1 . 26048 1 494 . 1 1 51 51 LEU CD2 C 13 22.899 0.3 . 1 . . . . 51 LEU CD2 . 26048 1 495 . 1 1 51 51 LEU N N 15 122.258 0.3 . 1 . . . . 51 LEU N . 26048 1 496 . 1 1 52 52 VAL H H 1 8.369 0.020 . 1 . . . . 52 VAL H . 26048 1 497 . 1 1 52 52 VAL HA H 1 3.468 0.020 . 1 . . . . 52 VAL HA . 26048 1 498 . 1 1 52 52 VAL HB H 1 2.302 0.020 . 1 . . . . 52 VAL HB . 26048 1 499 . 1 1 52 52 VAL HG11 H 1 1.092 0.020 . 1 . . . . 52 VAL HG1 . 26048 1 500 . 1 1 52 52 VAL HG12 H 1 1.092 0.020 . 1 . . . . 52 VAL HG1 . 26048 1 501 . 1 1 52 52 VAL HG13 H 1 1.092 0.020 . 1 . . . . 52 VAL HG1 . 26048 1 502 . 1 1 52 52 VAL HG21 H 1 0.943 0.020 . 1 . . . . 52 VAL HG2 . 26048 1 503 . 1 1 52 52 VAL HG22 H 1 0.943 0.020 . 1 . . . . 52 VAL HG2 . 26048 1 504 . 1 1 52 52 VAL HG23 H 1 0.943 0.020 . 1 . . . . 52 VAL HG2 . 26048 1 505 . 1 1 52 52 VAL C C 13 178.232 0.3 . 1 . . . . 52 VAL C . 26048 1 506 . 1 1 52 52 VAL CA C 13 67.586 0.3 . 1 . . . . 52 VAL CA . 26048 1 507 . 1 1 52 52 VAL CB C 13 31.919 0.3 . 1 . . . . 52 VAL CB . 26048 1 508 . 1 1 52 52 VAL CG1 C 13 21.269 0.3 . 1 . . . . 52 VAL CG1 . 26048 1 509 . 1 1 52 52 VAL CG2 C 13 22.288 0.3 . 1 . . . . 52 VAL CG2 . 26048 1 510 . 1 1 52 52 VAL N N 15 119.005 0.3 . 1 . . . . 52 VAL N . 26048 1 511 . 1 1 53 53 GLY H H 1 8.493 0.020 . 1 . . . . 53 GLY H . 26048 1 512 . 1 1 53 53 GLY HA2 H 1 4.080 0.020 . 2 . . . . 53 GLY HA2 . 26048 1 513 . 1 1 53 53 GLY HA3 H 1 3.884 0.020 . 2 . . . . 53 GLY HA3 . 26048 1 514 . 1 1 53 53 GLY C C 13 176.729 0.3 . 1 . . . . 53 GLY C . 26048 1 515 . 1 1 53 53 GLY CA C 13 47.446 0.3 . 1 . . . . 53 GLY CA . 26048 1 516 . 1 1 53 53 GLY N N 15 106.636 0.3 . 1 . . . . 53 GLY N . 26048 1 517 . 1 1 54 54 ALA H H 1 8.407 0.020 . 1 . . . . 54 ALA H . 26048 1 518 . 1 1 54 54 ALA HA H 1 4.245 0.020 . 1 . . . . 54 ALA HA . 26048 1 519 . 1 1 54 54 ALA HB1 H 1 1.504 0.020 . 1 . . . . 54 ALA HB . 26048 1 520 . 1 1 54 54 ALA HB2 H 1 1.504 0.020 . 1 . . . . 54 ALA HB . 26048 1 521 . 1 1 54 54 ALA HB3 H 1 1.504 0.020 . 1 . . . . 54 ALA HB . 26048 1 522 . 1 1 54 54 ALA C C 13 179.249 0.3 . 1 . . . . 54 ALA C . 26048 1 523 . 1 1 54 54 ALA CA C 13 54.858 0.3 . 1 . . . . 54 ALA CA . 26048 1 524 . 1 1 54 54 ALA CB C 13 20.060 0.3 . 1 . . . . 54 ALA CB . 26048 1 525 . 1 1 54 54 ALA N N 15 124.756 0.3 . 1 . . . . 54 ALA N . 26048 1 526 . 1 1 55 55 ALA H H 1 8.751 0.020 . 1 . . . . 55 ALA H . 26048 1 527 . 1 1 55 55 ALA HA H 1 3.843 0.020 . 1 . . . . 55 ALA HA . 26048 1 528 . 1 1 55 55 ALA HB1 H 1 1.425 0.020 . 1 . . . . 55 ALA HB . 26048 1 529 . 1 1 55 55 ALA HB2 H 1 1.425 0.020 . 1 . . . . 55 ALA HB . 26048 1 530 . 1 1 55 55 ALA HB3 H 1 1.425 0.020 . 1 . . . . 55 ALA HB . 26048 1 531 . 1 1 55 55 ALA C C 13 178.686 0.3 . 1 . . . . 55 ALA C . 26048 1 532 . 1 1 55 55 ALA CA C 13 55.002 0.3 . 1 . . . . 55 ALA CA . 26048 1 533 . 1 1 55 55 ALA CB C 13 18.144 0.3 . 1 . . . . 55 ALA CB . 26048 1 534 . 1 1 55 55 ALA N N 15 120.533 0.3 . 1 . . . . 55 ALA N . 26048 1 535 . 1 1 56 56 SER H H 1 8.219 0.020 . 1 . . . . 56 SER H . 26048 1 536 . 1 1 56 56 SER HA H 1 4.279 0.020 . 1 . . . . 56 SER HA . 26048 1 537 . 1 1 56 56 SER HB2 H 1 3.909 0.020 . 2 . . . . 56 SER HB2 . 26048 1 538 . 1 1 56 56 SER HB3 H 1 4.108 0.020 . 2 . . . . 56 SER HB3 . 26048 1 539 . 1 1 56 56 SER CA C 13 60.903 0.3 . 1 . . . . 56 SER CA . 26048 1 540 . 1 1 56 56 SER CB C 13 63.137 0.3 . 1 . . . . 56 SER CB . 26048 1 541 . 1 1 56 56 SER N N 15 112.936 0.3 . 1 . . . . 56 SER N . 26048 1 542 . 1 1 57 57 GLU H H 1 7.548 0.020 . 1 . . . . 57 GLU H . 26048 1 543 . 1 1 57 57 GLU HA H 1 3.988 0.020 . 1 . . . . 57 GLU HA . 26048 1 544 . 1 1 57 57 GLU HB2 H 1 2.144 0.020 . 2 . . . . 57 GLU HB2 . 26048 1 545 . 1 1 57 57 GLU HB3 H 1 2.041 0.020 . 2 . . . . 57 GLU HB3 . 26048 1 546 . 1 1 57 57 GLU HG2 H 1 2.379 0.020 . 1 . . . . 57 GLU HG2 . 26048 1 547 . 1 1 57 57 GLU HG3 H 1 2.379 0.020 . 1 . . . . 57 GLU HG3 . 26048 1 548 . 1 1 57 57 GLU C C 13 179.147 0.3 . 1 . . . . 57 GLU C . 26048 1 549 . 1 1 57 57 GLU CA C 13 59.423 0.3 . 1 . . . . 57 GLU CA . 26048 1 550 . 1 1 57 57 GLU CB C 13 29.935 0.3 . 1 . . . . 57 GLU CB . 26048 1 551 . 1 1 57 57 GLU CG C 13 36.201 0.3 . 1 . . . . 57 GLU CG . 26048 1 552 . 1 1 57 57 GLU N N 15 120.048 0.3 . 1 . . . . 57 GLU N . 26048 1 553 . 1 1 58 58 VAL H H 1 8.442 0.020 . 1 . . . . 58 VAL H . 26048 1 554 . 1 1 58 58 VAL HA H 1 3.612 0.020 . 1 . . . . 58 VAL HA . 26048 1 555 . 1 1 58 58 VAL HB H 1 1.750 0.020 . 1 . . . . 58 VAL HB . 26048 1 556 . 1 1 58 58 VAL HG11 H 1 0.894 0.020 . 1 . . . . 58 VAL HG1 . 26048 1 557 . 1 1 58 58 VAL HG12 H 1 0.894 0.020 . 1 . . . . 58 VAL HG1 . 26048 1 558 . 1 1 58 58 VAL HG13 H 1 0.894 0.020 . 1 . . . . 58 VAL HG1 . 26048 1 559 . 1 1 58 58 VAL HG21 H 1 0.843 0.020 . 1 . . . . 58 VAL HG2 . 26048 1 560 . 1 1 58 58 VAL HG22 H 1 0.843 0.020 . 1 . . . . 58 VAL HG2 . 26048 1 561 . 1 1 58 58 VAL HG23 H 1 0.843 0.020 . 1 . . . . 58 VAL HG2 . 26048 1 562 . 1 1 58 58 VAL C C 13 178.260 0.3 . 1 . . . . 58 VAL C . 26048 1 563 . 1 1 58 58 VAL CA C 13 66.067 0.3 . 1 . . . . 58 VAL CA . 26048 1 564 . 1 1 58 58 VAL CB C 13 32.410 0.3 . 1 . . . . 58 VAL CB . 26048 1 565 . 1 1 58 58 VAL CG1 C 13 22.639 0.3 . 1 . . . . 58 VAL CG1 . 26048 1 566 . 1 1 58 58 VAL CG2 C 13 20.799 0.3 . 1 . . . . 58 VAL CG2 . 26048 1 567 . 1 1 58 58 VAL N N 15 119.400 0.3 . 1 . . . . 58 VAL N . 26048 1 568 . 1 1 59 59 LEU H H 1 8.538 0.020 . 1 . . . . 59 LEU H . 26048 1 569 . 1 1 59 59 LEU HA H 1 4.061 0.020 . 1 . . . . 59 LEU HA . 26048 1 570 . 1 1 59 59 LEU HB2 H 1 1.121 0.020 . 2 . . . . 59 LEU HB2 . 26048 1 571 . 1 1 59 59 LEU HB3 H 1 1.668 0.020 . 2 . . . . 59 LEU HB3 . 26048 1 572 . 1 1 59 59 LEU HG H 1 1.498 0.020 . 1 . . . . 59 LEU HG . 26048 1 573 . 1 1 59 59 LEU HD11 H 1 0.390 0.020 . 1 . . . . 59 LEU HD1 . 26048 1 574 . 1 1 59 59 LEU HD12 H 1 0.390 0.020 . 1 . . . . 59 LEU HD1 . 26048 1 575 . 1 1 59 59 LEU HD13 H 1 0.390 0.020 . 1 . . . . 59 LEU HD1 . 26048 1 576 . 1 1 59 59 LEU HD21 H 1 0.274 0.020 . 1 . . . . 59 LEU HD2 . 26048 1 577 . 1 1 59 59 LEU HD22 H 1 0.274 0.020 . 1 . . . . 59 LEU HD2 . 26048 1 578 . 1 1 59 59 LEU HD23 H 1 0.274 0.020 . 1 . . . . 59 LEU HD2 . 26048 1 579 . 1 1 59 59 LEU C C 13 177.893 0.3 . 1 . . . . 59 LEU C . 26048 1 580 . 1 1 59 59 LEU CA C 13 55.129 0.3 . 1 . . . . 59 LEU CA . 26048 1 581 . 1 1 59 59 LEU CB C 13 41.814 0.3 . 1 . . . . 59 LEU CB . 26048 1 582 . 1 1 59 59 LEU CG C 13 26.709 0.3 . 1 . . . . 59 LEU CG . 26048 1 583 . 1 1 59 59 LEU CD1 C 13 24.889 0.3 . 1 . . . . 59 LEU CD1 . 26048 1 584 . 1 1 59 59 LEU CD2 C 13 21.053 0.3 . 1 . . . . 59 LEU CD2 . 26048 1 585 . 1 1 59 59 LEU N N 15 115.277 0.3 . 1 . . . . 59 LEU N . 26048 1 586 . 1 1 60 60 GLY H H 1 7.623 0.020 . 1 . . . . 60 GLY H . 26048 1 587 . 1 1 60 60 GLY HA2 H 1 3.792 0.020 . 1 . . . . 60 GLY HA2 . 26048 1 588 . 1 1 60 60 GLY HA3 H 1 3.792 0.020 . 1 . . . . 60 GLY HA3 . 26048 1 589 . 1 1 60 60 GLY C C 13 174.394 0.3 . 1 . . . . 60 GLY C . 26048 1 590 . 1 1 60 60 GLY CA C 13 46.795 0.3 . 1 . . . . 60 GLY CA . 26048 1 591 . 1 1 60 60 GLY N N 15 109.003 0.3 . 1 . . . . 60 GLY N . 26048 1 592 . 1 1 61 61 LYS H H 1 7.350 0.020 . 1 . . . . 61 LYS H . 26048 1 593 . 1 1 61 61 LYS HA H 1 4.780 0.020 . 1 . . . . 61 LYS HA . 26048 1 594 . 1 1 61 61 LYS HB2 H 1 1.473 0.020 . 2 . . . . 61 LYS HB2 . 26048 1 595 . 1 1 61 61 LYS HB3 H 1 1.142 0.020 . 2 . . . . 61 LYS HB3 . 26048 1 596 . 1 1 61 61 LYS HG2 H 1 1.176 0.020 . 1 . . . . 61 LYS HG2 . 26048 1 597 . 1 1 61 61 LYS HG3 H 1 1.176 0.020 . 1 . . . . 61 LYS HG3 . 26048 1 598 . 1 1 61 61 LYS HD2 H 1 1.401 0.020 . 1 . . . . 61 LYS HD2 . 26048 1 599 . 1 1 61 61 LYS HD3 H 1 1.401 0.020 . 1 . . . . 61 LYS HD3 . 26048 1 600 . 1 1 61 61 LYS HE2 H 1 2.847 0.020 . 1 . . . . 61 LYS HE2 . 26048 1 601 . 1 1 61 61 LYS HE3 H 1 2.847 0.020 . 1 . . . . 61 LYS HE3 . 26048 1 602 . 1 1 61 61 LYS C C 13 172.992 0.3 . 1 . . . . 61 LYS C . 26048 1 603 . 1 1 61 61 LYS CA C 13 51.912 0.3 . 1 . . . . 61 LYS CA . 26048 1 604 . 1 1 61 61 LYS CB C 13 35.735 0.3 . 1 . . . . 61 LYS CB . 26048 1 605 . 1 1 61 61 LYS CG C 13 23.755 0.3 . 1 . . . . 61 LYS CG . 26048 1 606 . 1 1 61 61 LYS CD C 13 29.017 0.3 . 1 . . . . 61 LYS CD . 26048 1 607 . 1 1 61 61 LYS CE C 13 41.643 0.3 . 1 . . . . 61 LYS CE . 26048 1 608 . 1 1 61 61 LYS N N 15 117.866 0.3 . 1 . . . . 61 LYS N . 26048 1 609 . 1 1 62 62 PRO HA H 1 4.288 0.020 . 1 . . . . 62 PRO HA . 26048 1 610 . 1 1 62 62 PRO HB2 H 1 2.427 0.020 . 2 . . . . 62 PRO HB2 . 26048 1 611 . 1 1 62 62 PRO HB3 H 1 1.753 0.020 . 2 . . . . 62 PRO HB3 . 26048 1 612 . 1 1 62 62 PRO HG2 H 1 2.009 0.020 . 1 . . . . 62 PRO HG2 . 26048 1 613 . 1 1 62 62 PRO HG3 H 1 2.009 0.020 . 1 . . . . 62 PRO HG3 . 26048 1 614 . 1 1 62 62 PRO HD2 H 1 3.829 0.020 . 2 . . . . 62 PRO HD2 . 26048 1 615 . 1 1 62 62 PRO HD3 H 1 3.568 0.020 . 2 . . . . 62 PRO HD3 . 26048 1 616 . 1 1 62 62 PRO C C 13 177.159 0.3 . 1 . . . . 62 PRO C . 26048 1 617 . 1 1 62 62 PRO CA C 13 62.589 0.3 . 1 . . . . 62 PRO CA . 26048 1 618 . 1 1 62 62 PRO CB C 13 32.559 0.3 . 1 . . . . 62 PRO CB . 26048 1 619 . 1 1 62 62 PRO CG C 13 27.719 0.3 . 1 . . . . 62 PRO CG . 26048 1 620 . 1 1 62 62 PRO CD C 13 50.597 0.3 . 1 . . . . 62 PRO CD . 26048 1 621 . 1 1 63 63 ALA H H 1 8.994 0.020 . 1 . . . . 63 ALA H . 26048 1 622 . 1 1 63 63 ALA HA H 1 3.735 0.020 . 1 . . . . 63 ALA HA . 26048 1 623 . 1 1 63 63 ALA HB1 H 1 1.385 0.020 . 1 . . . . 63 ALA HB . 26048 1 624 . 1 1 63 63 ALA HB2 H 1 1.385 0.020 . 1 . . . . 63 ALA HB . 26048 1 625 . 1 1 63 63 ALA HB3 H 1 1.385 0.020 . 1 . . . . 63 ALA HB . 26048 1 626 . 1 1 63 63 ALA C C 13 179.238 0.3 . 1 . . . . 63 ALA C . 26048 1 627 . 1 1 63 63 ALA CA C 13 55.961 0.3 . 1 . . . . 63 ALA CA . 26048 1 628 . 1 1 63 63 ALA CB C 13 17.971 0.3 . 1 . . . . 63 ALA CB . 26048 1 629 . 1 1 63 63 ALA N N 15 127.701 0.3 . 1 . . . . 63 ALA N . 26048 1 630 . 1 1 64 64 GLU H H 1 9.198 0.020 . 1 . . . . 64 GLU H . 26048 1 631 . 1 1 64 64 GLU HA H 1 3.591 0.020 . 1 . . . . 64 GLU HA . 26048 1 632 . 1 1 64 64 GLU HB2 H 1 1.911 0.020 . 2 . . . . 64 GLU HB2 . 26048 1 633 . 1 1 64 64 GLU HB3 H 1 1.773 0.020 . 2 . . . . 64 GLU HB3 . 26048 1 634 . 1 1 64 64 GLU HG2 H 1 2.116 0.020 . 1 . . . . 64 GLU HG2 . 26048 1 635 . 1 1 64 64 GLU HG3 H 1 2.116 0.020 . 1 . . . . 64 GLU HG3 . 26048 1 636 . 1 1 64 64 GLU C C 13 177.576 0.3 . 1 . . . . 64 GLU C . 26048 1 637 . 1 1 64 64 GLU CA C 13 60.566 0.3 . 1 . . . . 64 GLU CA . 26048 1 638 . 1 1 64 64 GLU CB C 13 29.005 0.3 . 1 . . . . 64 GLU CB . 26048 1 639 . 1 1 64 64 GLU CG C 13 36.142 0.3 . 1 . . . . 64 GLU CG . 26048 1 640 . 1 1 64 64 GLU N N 15 114.710 0.3 . 1 . . . . 64 GLU N . 26048 1 641 . 1 1 65 65 GLU H H 1 6.759 0.020 . 1 . . . . 65 GLU H . 26048 1 642 . 1 1 65 65 GLU HA H 1 3.694 0.020 . 1 . . . . 65 GLU HA . 26048 1 643 . 1 1 65 65 GLU HB2 H 1 1.897 0.020 . 1 . . . . 65 GLU HB2 . 26048 1 644 . 1 1 65 65 GLU HB3 H 1 1.897 0.020 . 1 . . . . 65 GLU HB3 . 26048 1 645 . 1 1 65 65 GLU HG2 H 1 2.155 0.020 . 1 . . . . 65 GLU HG2 . 26048 1 646 . 1 1 65 65 GLU HG3 H 1 2.155 0.020 . 1 . . . . 65 GLU HG3 . 26048 1 647 . 1 1 65 65 GLU C C 13 180.055 0.3 . 1 . . . . 65 GLU C . 26048 1 648 . 1 1 65 65 GLU CA C 13 59.076 0.3 . 1 . . . . 65 GLU CA . 26048 1 649 . 1 1 65 65 GLU CB C 13 29.419 0.3 . 1 . . . . 65 GLU CB . 26048 1 650 . 1 1 65 65 GLU CG C 13 36.265 0.3 . 1 . . . . 65 GLU CG . 26048 1 651 . 1 1 65 65 GLU N N 15 115.851 0.3 . 1 . . . . 65 GLU N . 26048 1 652 . 1 1 66 66 LEU H H 1 7.314 0.020 . 1 . . . . 66 LEU H . 26048 1 653 . 1 1 66 66 LEU HA H 1 3.798 0.020 . 1 . . . . 66 LEU HA . 26048 1 654 . 1 1 66 66 LEU HB2 H 1 1.148 0.020 . 2 . . . . 66 LEU HB2 . 26048 1 655 . 1 1 66 66 LEU HB3 H 1 1.800 0.020 . 2 . . . . 66 LEU HB3 . 26048 1 656 . 1 1 66 66 LEU HG H 1 0.656 0.020 . 1 . . . . 66 LEU HG . 26048 1 657 . 1 1 66 66 LEU HD11 H 1 0.610 0.020 . 1 . . . . 66 LEU HD1 . 26048 1 658 . 1 1 66 66 LEU HD12 H 1 0.610 0.020 . 1 . . . . 66 LEU HD1 . 26048 1 659 . 1 1 66 66 LEU HD13 H 1 0.610 0.020 . 1 . . . . 66 LEU HD1 . 26048 1 660 . 1 1 66 66 LEU C C 13 178.434 0.3 . 1 . . . . 66 LEU C . 26048 1 661 . 1 1 66 66 LEU CA C 13 57.295 0.3 . 1 . . . . 66 LEU CA . 26048 1 662 . 1 1 66 66 LEU CB C 13 41.787 0.3 . 1 . . . . 66 LEU CB . 26048 1 663 . 1 1 66 66 LEU CG C 13 26.028 0.3 . 1 . . . . 66 LEU CG . 26048 1 664 . 1 1 66 66 LEU CD1 C 13 23.448 0.3 . 1 . . . . 66 LEU CD1 . 26048 1 665 . 1 1 66 66 LEU N N 15 120.825 0.3 . 1 . . . . 66 LEU N . 26048 1 666 . 1 1 67 67 LEU H H 1 8.131 0.020 . 1 . . . . 67 LEU H . 26048 1 667 . 1 1 67 67 LEU HA H 1 4.107 0.020 . 1 . . . . 67 LEU HA . 26048 1 668 . 1 1 67 67 LEU HB2 H 1 2.616 0.020 . 1 . . . . 67 LEU HB2 . 26048 1 669 . 1 1 67 67 LEU HB3 H 1 2.616 0.020 . 1 . . . . 67 LEU HB3 . 26048 1 670 . 1 1 67 67 LEU HG H 1 1.700 0.020 . 1 . . . . 67 LEU HG . 26048 1 671 . 1 1 67 67 LEU HD11 H 1 0.885 0.020 . 1 . . . . 67 LEU HD1 . 26048 1 672 . 1 1 67 67 LEU HD12 H 1 0.885 0.020 . 1 . . . . 67 LEU HD1 . 26048 1 673 . 1 1 67 67 LEU HD13 H 1 0.885 0.020 . 1 . . . . 67 LEU HD1 . 26048 1 674 . 1 1 67 67 LEU HD21 H 1 0.865 0.020 . 1 . . . . 67 LEU HD2 . 26048 1 675 . 1 1 67 67 LEU HD22 H 1 0.865 0.020 . 1 . . . . 67 LEU HD2 . 26048 1 676 . 1 1 67 67 LEU HD23 H 1 0.865 0.020 . 1 . . . . 67 LEU HD2 . 26048 1 677 . 1 1 67 67 LEU C C 13 178.484 0.3 . 1 . . . . 67 LEU C . 26048 1 678 . 1 1 67 67 LEU CA C 13 57.684 0.3 . 1 . . . . 67 LEU CA . 26048 1 679 . 1 1 67 67 LEU CB C 13 43.341 0.3 . 1 . . . . 67 LEU CB . 26048 1 680 . 1 1 67 67 LEU CG C 13 28.806 0.3 . 1 . . . . 67 LEU CG . 26048 1 681 . 1 1 67 67 LEU CD1 C 13 26.726 0.3 . 1 . . . . 67 LEU CD1 . 26048 1 682 . 1 1 67 67 LEU CD2 C 13 24.491 0.3 . 1 . . . . 67 LEU CD2 . 26048 1 683 . 1 1 67 67 LEU N N 15 119.331 0.3 . 1 . . . . 67 LEU N . 26048 1 684 . 1 1 68 68 ILE H H 1 7.644 0.020 . 1 . . . . 68 ILE H . 26048 1 685 . 1 1 68 68 ILE HA H 1 2.887 0.020 . 1 . . . . 68 ILE HA . 26048 1 686 . 1 1 68 68 ILE HB H 1 1.250 0.020 . 1 . . . . 68 ILE HB . 26048 1 687 . 1 1 68 68 ILE HG12 H 1 0.489 0.020 . 1 . . . . 68 ILE HG12 . 26048 1 688 . 1 1 68 68 ILE HG13 H 1 0.489 0.020 . 1 . . . . 68 ILE HG13 . 26048 1 689 . 1 1 68 68 ILE HG21 H 1 0.223 0.020 . 1 . . . . 68 ILE HG2 . 26048 1 690 . 1 1 68 68 ILE HG22 H 1 0.223 0.020 . 1 . . . . 68 ILE HG2 . 26048 1 691 . 1 1 68 68 ILE HG23 H 1 0.223 0.020 . 1 . . . . 68 ILE HG2 . 26048 1 692 . 1 1 68 68 ILE HD11 H 1 0.457 0.020 . 1 . . . . 68 ILE HD1 . 26048 1 693 . 1 1 68 68 ILE HD12 H 1 0.457 0.020 . 1 . . . . 68 ILE HD1 . 26048 1 694 . 1 1 68 68 ILE HD13 H 1 0.457 0.020 . 1 . . . . 68 ILE HD1 . 26048 1 695 . 1 1 68 68 ILE C C 13 178.017 0.3 . 1 . . . . 68 ILE C . 26048 1 696 . 1 1 68 68 ILE CA C 13 65.157 0.3 . 1 . . . . 68 ILE CA . 26048 1 697 . 1 1 68 68 ILE CB C 13 38.179 0.3 . 1 . . . . 68 ILE CB . 26048 1 698 . 1 1 68 68 ILE CG1 C 13 29.226 0.3 . 1 . . . . 68 ILE CG1 . 26048 1 699 . 1 1 68 68 ILE CG2 C 13 16.577 0.3 . 1 . . . . 68 ILE CG2 . 26048 1 700 . 1 1 68 68 ILE CD1 C 13 13.752 0.3 . 1 . . . . 68 ILE CD1 . 26048 1 701 . 1 1 68 68 ILE N N 15 121.509 0.3 . 1 . . . . 68 ILE N . 26048 1 702 . 1 1 69 69 ALA H H 1 7.102 0.020 . 1 . . . . 69 ALA H . 26048 1 703 . 1 1 69 69 ALA HA H 1 3.533 0.020 . 1 . . . . 69 ALA HA . 26048 1 704 . 1 1 69 69 ALA HB1 H 1 1.145 0.020 . 1 . . . . 69 ALA HB . 26048 1 705 . 1 1 69 69 ALA HB2 H 1 1.145 0.020 . 1 . . . . 69 ALA HB . 26048 1 706 . 1 1 69 69 ALA HB3 H 1 1.145 0.020 . 1 . . . . 69 ALA HB . 26048 1 707 . 1 1 69 69 ALA C C 13 180.325 0.3 . 1 . . . . 69 ALA C . 26048 1 708 . 1 1 69 69 ALA CA C 13 54.584 0.3 . 1 . . . . 69 ALA CA . 26048 1 709 . 1 1 69 69 ALA CB C 13 17.090 0.3 . 1 . . . . 69 ALA CB . 26048 1 710 . 1 1 69 69 ALA N N 15 121.174 0.3 . 1 . . . . 69 ALA N . 26048 1 711 . 1 1 70 70 PHE H H 1 8.270 0.020 . 1 . . . . 70 PHE H . 26048 1 712 . 1 1 70 70 PHE HA H 1 3.989 0.020 . 1 . . . . 70 PHE HA . 26048 1 713 . 1 1 70 70 PHE HB2 H 1 2.730 0.020 . 2 . . . . 70 PHE HB2 . 26048 1 714 . 1 1 70 70 PHE HB3 H 1 2.454 0.020 . 2 . . . . 70 PHE HB3 . 26048 1 715 . 1 1 70 70 PHE C C 13 175.244 0.3 . 1 . . . . 70 PHE C . 26048 1 716 . 1 1 70 70 PHE CA C 13 59.774 0.3 . 1 . . . . 70 PHE CA . 26048 1 717 . 1 1 70 70 PHE CB C 13 38.587 0.3 . 1 . . . . 70 PHE CB . 26048 1 718 . 1 1 70 70 PHE N N 15 119.638 0.3 . 1 . . . . 70 PHE N . 26048 1 719 . 1 1 71 71 GLY H H 1 7.561 0.020 . 1 . . . . 71 GLY H . 26048 1 720 . 1 1 71 71 GLY HA2 H 1 3.740 0.020 . 1 . . . . 71 GLY HA2 . 26048 1 721 . 1 1 71 71 GLY HA3 H 1 3.740 0.020 . 1 . . . . 71 GLY HA3 . 26048 1 722 . 1 1 71 71 GLY C C 13 171.735 0.3 . 1 . . . . 71 GLY C . 26048 1 723 . 1 1 71 71 GLY CA C 13 45.732 0.3 . 1 . . . . 71 GLY CA . 26048 1 724 . 1 1 71 71 GLY N N 15 105.869 0.3 . 1 . . . . 71 GLY N . 26048 1 725 . 1 1 72 72 GLU H H 1 6.096 0.020 . 1 . . . . 72 GLU H . 26048 1 726 . 1 1 72 72 GLU HA H 1 2.163 0.020 . 1 . . . . 72 GLU HA . 26048 1 727 . 1 1 72 72 GLU HB2 H 1 1.253 0.020 . 2 . . . . 72 GLU HB2 . 26048 1 728 . 1 1 72 72 GLU HB3 H 1 1.117 0.020 . 2 . . . . 72 GLU HB3 . 26048 1 729 . 1 1 72 72 GLU HG2 H 1 1.402 0.020 . 2 . . . . 72 GLU HG2 . 26048 1 730 . 1 1 72 72 GLU HG3 H 1 1.280 0.020 . 2 . . . . 72 GLU HG3 . 26048 1 731 . 1 1 72 72 GLU CA C 13 59.075 0.3 . 1 . . . . 72 GLU CA . 26048 1 732 . 1 1 72 72 GLU CB C 13 28.246 0.3 . 1 . . . . 72 GLU CB . 26048 1 733 . 1 1 72 72 GLU CG C 13 35.634 0.3 . 1 . . . . 72 GLU CG . 26048 1 734 . 1 1 72 72 GLU N N 15 116.811 0.3 . 1 . . . . 72 GLU N . 26048 1 735 . 1 1 73 73 TYR H H 1 7.093 0.020 . 1 . . . . 73 TYR H . 26048 1 736 . 1 1 73 73 TYR C C 13 180.303 0.3 . 1 . . . . 73 TYR C . 26048 1 737 . 1 1 73 73 TYR CA C 13 54.506 0.3 . 1 . . . . 73 TYR CA . 26048 1 738 . 1 1 73 73 TYR CB C 13 39.169 0.3 . 1 . . . . 73 TYR CB . 26048 1 739 . 1 1 73 73 TYR N N 15 121.739 0.3 . 1 . . . . 73 TYR N . 26048 1 740 . 1 1 78 78 THR HA H 1 3.190 0.020 . 1 . . . . 78 THR HA . 26048 1 741 . 1 1 78 78 THR HB H 1 3.324 0.020 . 1 . . . . 78 THR HB . 26048 1 742 . 1 1 78 78 THR HG21 H 1 0.591 0.020 . 1 . . . . 78 THR HG2 . 26048 1 743 . 1 1 78 78 THR HG22 H 1 0.591 0.020 . 1 . . . . 78 THR HG2 . 26048 1 744 . 1 1 78 78 THR HG23 H 1 0.591 0.020 . 1 . . . . 78 THR HG2 . 26048 1 745 . 1 1 78 78 THR C C 13 176.483 0.3 . 1 . . . . 78 THR C . 26048 1 746 . 1 1 78 78 THR CA C 13 64.373 0.3 . 1 . . . . 78 THR CA . 26048 1 747 . 1 1 78 78 THR CB C 13 67.734 0.3 . 1 . . . . 78 THR CB . 26048 1 748 . 1 1 78 78 THR CG2 C 13 21.166 0.3 . 1 . . . . 78 THR CG2 . 26048 1 749 . 1 1 79 79 SER H H 1 5.796 0.020 . 1 . . . . 79 SER H . 26048 1 750 . 1 1 79 79 SER HA H 1 3.483 0.020 . 1 . . . . 79 SER HA . 26048 1 751 . 1 1 79 79 SER HB2 H 1 3.528 0.020 . 1 . . . . 79 SER HB2 . 26048 1 752 . 1 1 79 79 SER HB3 H 1 3.528 0.020 . 1 . . . . 79 SER HB3 . 26048 1 753 . 1 1 79 79 SER CA C 13 61.018 0.3 . 1 . . . . 79 SER CA . 26048 1 754 . 1 1 79 79 SER CB C 13 62.641 0.3 . 1 . . . . 79 SER CB . 26048 1 755 . 1 1 79 79 SER N N 15 114.105 0.3 . 1 . . . . 79 SER N . 26048 1 756 . 1 1 80 80 GLU H H 1 7.379 0.020 . 1 . . . . 80 GLU H . 26048 1 757 . 1 1 80 80 GLU HA H 1 3.797 0.020 . 1 . . . . 80 GLU HA . 26048 1 758 . 1 1 80 80 GLU HB2 H 1 1.634 0.020 . 2 . . . . 80 GLU HB2 . 26048 1 759 . 1 1 80 80 GLU HB3 H 1 1.521 0.020 . 2 . . . . 80 GLU HB3 . 26048 1 760 . 1 1 80 80 GLU HG2 H 1 1.969 0.020 . 2 . . . . 80 GLU HG2 . 26048 1 761 . 1 1 80 80 GLU HG3 H 1 1.836 0.020 . 2 . . . . 80 GLU HG3 . 26048 1 762 . 1 1 80 80 GLU C C 13 178.129 0.3 . 1 . . . . 80 GLU C . 26048 1 763 . 1 1 80 80 GLU CA C 13 57.944 0.3 . 1 . . . . 80 GLU CA . 26048 1 764 . 1 1 80 80 GLU CB C 13 29.678 0.3 . 1 . . . . 80 GLU CB . 26048 1 765 . 1 1 80 80 GLU CG C 13 36.091 0.3 . 1 . . . . 80 GLU CG . 26048 1 766 . 1 1 80 80 GLU N N 15 120.749 0.3 . 1 . . . . 80 GLU N . 26048 1 767 . 1 1 81 81 GLU H H 1 7.285 0.020 . 1 . . . . 81 GLU H . 26048 1 768 . 1 1 81 81 GLU HA H 1 3.877 0.020 . 1 . . . . 81 GLU HA . 26048 1 769 . 1 1 81 81 GLU HB2 H 1 1.965 0.020 . 2 . . . . 81 GLU HB2 . 26048 1 770 . 1 1 81 81 GLU HB3 H 1 0.861 0.020 . 2 . . . . 81 GLU HB3 . 26048 1 771 . 1 1 81 81 GLU HG2 H 1 1.281 0.020 . 2 . . . . 81 GLU HG2 . 26048 1 772 . 1 1 81 81 GLU HG3 H 1 1.143 0.020 . 2 . . . . 81 GLU HG3 . 26048 1 773 . 1 1 81 81 GLU C C 13 175.842 0.3 . 1 . . . . 81 GLU C . 26048 1 774 . 1 1 81 81 GLU CA C 13 55.339 0.3 . 1 . . . . 81 GLU CA . 26048 1 775 . 1 1 81 81 GLU CB C 13 28.114 0.3 . 1 . . . . 81 GLU CB . 26048 1 776 . 1 1 81 81 GLU CG C 13 34.763 0.3 . 1 . . . . 81 GLU CG . 26048 1 777 . 1 1 81 81 GLU N N 15 116.771 0.3 . 1 . . . . 81 GLU N . 26048 1 778 . 1 1 82 82 GLY H H 1 7.007 0.020 . 1 . . . . 82 GLY H . 26048 1 779 . 1 1 82 82 GLY HA2 H 1 3.823 0.020 . 2 . . . . 82 GLY HA2 . 26048 1 780 . 1 1 82 82 GLY HA3 H 1 3.359 0.020 . 2 . . . . 82 GLY HA3 . 26048 1 781 . 1 1 82 82 GLY C C 13 175.733 0.3 . 1 . . . . 82 GLY C . 26048 1 782 . 1 1 82 82 GLY CA C 13 45.154 0.3 . 1 . . . . 82 GLY CA . 26048 1 783 . 1 1 82 82 GLY N N 15 103.242 0.3 . 1 . . . . 82 GLY N . 26048 1 784 . 1 1 83 83 TYR H H 1 7.413 0.020 . 1 . . . . 83 TYR H . 26048 1 785 . 1 1 83 83 TYR HA H 1 4.727 0.020 . 1 . . . . 83 TYR HA . 26048 1 786 . 1 1 83 83 TYR HB2 H 1 2.900 0.020 . 1 . . . . 83 TYR HB2 . 26048 1 787 . 1 1 83 83 TYR HB3 H 1 2.900 0.020 . 1 . . . . 83 TYR HB3 . 26048 1 788 . 1 1 83 83 TYR C C 13 176.400 0.3 . 1 . . . . 83 TYR C . 26048 1 789 . 1 1 83 83 TYR CA C 13 57.901 0.3 . 1 . . . . 83 TYR CA . 26048 1 790 . 1 1 83 83 TYR CB C 13 38.721 0.3 . 1 . . . . 83 TYR CB . 26048 1 791 . 1 1 83 83 TYR N N 15 117.824 0.3 . 1 . . . . 83 TYR N . 26048 1 792 . 1 1 84 84 GLY H H 1 8.662 0.020 . 1 . . . . 84 GLY H . 26048 1 793 . 1 1 84 84 GLY HA2 H 1 4.100 0.020 . 2 . . . . 84 GLY HA2 . 26048 1 794 . 1 1 84 84 GLY HA3 H 1 3.699 0.020 . 2 . . . . 84 GLY HA3 . 26048 1 795 . 1 1 84 84 GLY C C 13 176.921 0.3 . 1 . . . . 84 GLY C . 26048 1 796 . 1 1 84 84 GLY CA C 13 48.115 0.3 . 1 . . . . 84 GLY CA . 26048 1 797 . 1 1 84 84 GLY N N 15 110.126 0.3 . 1 . . . . 84 GLY N . 26048 1 798 . 1 1 85 85 GLU H H 1 8.903 0.020 . 1 . . . . 85 GLU H . 26048 1 799 . 1 1 85 85 GLU HA H 1 4.283 0.020 . 1 . . . . 85 GLU HA . 26048 1 800 . 1 1 85 85 GLU HB2 H 1 2.024 0.020 . 1 . . . . 85 GLU HB2 . 26048 1 801 . 1 1 85 85 GLU HB3 H 1 2.024 0.020 . 1 . . . . 85 GLU HB3 . 26048 1 802 . 1 1 85 85 GLU HG2 H 1 2.295 0.020 . 2 . . . . 85 GLU HG2 . 26048 1 803 . 1 1 85 85 GLU HG3 H 1 2.247 0.020 . 2 . . . . 85 GLU HG3 . 26048 1 804 . 1 1 85 85 GLU C C 13 179.602 0.3 . 1 . . . . 85 GLU C . 26048 1 805 . 1 1 85 85 GLU CA C 13 59.587 0.3 . 1 . . . . 85 GLU CA . 26048 1 806 . 1 1 85 85 GLU CB C 13 28.815 0.3 . 1 . . . . 85 GLU CB . 26048 1 807 . 1 1 85 85 GLU CG C 13 36.470 0.3 . 1 . . . . 85 GLU CG . 26048 1 808 . 1 1 85 85 GLU N N 15 122.219 0.3 . 1 . . . . 85 GLU N . 26048 1 809 . 1 1 86 86 LEU H H 1 7.617 0.020 . 1 . . . . 86 LEU H . 26048 1 810 . 1 1 86 86 LEU HA H 1 4.528 0.020 . 1 . . . . 86 LEU HA . 26048 1 811 . 1 1 86 86 LEU C C 13 178.010 0.3 . 1 . . . . 86 LEU C . 26048 1 812 . 1 1 86 86 LEU CA C 13 58.589 0.3 . 1 . . . . 86 LEU CA . 26048 1 813 . 1 1 86 86 LEU CB C 13 38.025 0.3 . 1 . . . . 86 LEU CB . 26048 1 814 . 1 1 86 86 LEU N N 15 121.587 0.3 . 1 . . . . 86 LEU N . 26048 1 815 . 1 1 87 87 LEU HA H 1 5.802 0.020 . 1 . . . . 87 LEU HA . 26048 1 816 . 1 1 87 87 LEU HB2 H 1 2.125 0.020 . 1 . . . . 87 LEU HB2 . 26048 1 817 . 1 1 87 87 LEU HB3 H 1 2.125 0.020 . 1 . . . . 87 LEU HB3 . 26048 1 818 . 1 1 87 87 LEU HG H 1 2.752 0.020 . 1 . . . . 87 LEU HG . 26048 1 819 . 1 1 87 87 LEU HD11 H 1 2.616 0.020 . 1 . . . . 87 LEU HD1 . 26048 1 820 . 1 1 87 87 LEU HD12 H 1 2.616 0.020 . 1 . . . . 87 LEU HD1 . 26048 1 821 . 1 1 87 87 LEU HD13 H 1 2.616 0.020 . 1 . . . . 87 LEU HD1 . 26048 1 822 . 1 1 87 87 LEU C C 13 180.706 0.3 . 1 . . . . 87 LEU C . 26048 1 823 . 1 1 87 87 LEU CA C 13 59.460 0.3 . 1 . . . . 87 LEU CA . 26048 1 824 . 1 1 87 87 LEU CB C 13 43.553 0.3 . 1 . . . . 87 LEU CB . 26048 1 825 . 1 1 87 87 LEU CG C 13 27.992 0.3 . 1 . . . . 87 LEU CG . 26048 1 826 . 1 1 87 87 LEU CD1 C 13 25.951 0.3 . 1 . . . . 87 LEU CD1 . 26048 1 827 . 1 1 88 88 ALA H H 1 8.593 0.020 . 1 . . . . 88 ALA H . 26048 1 828 . 1 1 88 88 ALA HA H 1 4.743 0.020 . 1 . . . . 88 ALA HA . 26048 1 829 . 1 1 88 88 ALA HB1 H 1 1.742 0.020 . 1 . . . . 88 ALA HB . 26048 1 830 . 1 1 88 88 ALA HB2 H 1 1.742 0.020 . 1 . . . . 88 ALA HB . 26048 1 831 . 1 1 88 88 ALA HB3 H 1 1.742 0.020 . 1 . . . . 88 ALA HB . 26048 1 832 . 1 1 88 88 ALA C C 13 180.482 0.3 . 1 . . . . 88 ALA C . 26048 1 833 . 1 1 88 88 ALA CA C 13 55.091 0.3 . 1 . . . . 88 ALA CA . 26048 1 834 . 1 1 88 88 ALA CB C 13 18.448 0.3 . 1 . . . . 88 ALA CB . 26048 1 835 . 1 1 88 88 ALA N N 15 120.938 0.3 . 1 . . . . 88 ALA N . 26048 1 836 . 1 1 89 89 SER H H 1 8.372 0.020 . 1 . . . . 89 SER H . 26048 1 837 . 1 1 89 89 SER HA H 1 4.677 0.020 . 1 . . . . 89 SER HA . 26048 1 838 . 1 1 89 89 SER HB2 H 1 4.404 0.020 . 1 . . . . 89 SER HB2 . 26048 1 839 . 1 1 89 89 SER C C 13 175.323 0.3 . 1 . . . . 89 SER C . 26048 1 840 . 1 1 89 89 SER CA C 13 60.717 0.3 . 1 . . . . 89 SER CA . 26048 1 841 . 1 1 89 89 SER CB C 13 64.013 0.3 . 1 . . . . 89 SER CB . 26048 1 842 . 1 1 89 89 SER N N 15 112.818 0.3 . 1 . . . . 89 SER N . 26048 1 843 . 1 1 90 90 ALA H H 1 8.329 0.020 . 1 . . . . 90 ALA H . 26048 1 844 . 1 1 90 90 ALA HA H 1 5.355 0.020 . 1 . . . . 90 ALA HA . 26048 1 845 . 1 1 90 90 ALA HB1 H 1 3.045 0.020 . 1 . . . . 90 ALA HB . 26048 1 846 . 1 1 90 90 ALA HB2 H 1 3.045 0.020 . 1 . . . . 90 ALA HB . 26048 1 847 . 1 1 90 90 ALA HB3 H 1 3.045 0.020 . 1 . . . . 90 ALA HB . 26048 1 848 . 1 1 90 90 ALA C C 13 177.489 0.3 . 1 . . . . 90 ALA C . 26048 1 849 . 1 1 90 90 ALA CA C 13 54.127 0.3 . 1 . . . . 90 ALA CA . 26048 1 850 . 1 1 90 90 ALA CB C 13 20.864 0.3 . 1 . . . . 90 ALA CB . 26048 1 851 . 1 1 90 90 ALA N N 15 124.544 0.3 . 1 . . . . 90 ALA N . 26048 1 852 . 1 1 91 91 GLY H H 1 7.867 0.020 . 1 . . . . 91 GLY H . 26048 1 853 . 1 1 91 91 GLY HA2 H 1 5.014 0.020 . 2 . . . . 91 GLY HA2 . 26048 1 854 . 1 1 91 91 GLY HA3 H 1 4.304 0.020 . 2 . . . . 91 GLY HA3 . 26048 1 855 . 1 1 91 91 GLY C C 13 173.347 0.3 . 1 . . . . 91 GLY C . 26048 1 856 . 1 1 91 91 GLY CA C 13 45.924 0.3 . 1 . . . . 91 GLY CA . 26048 1 857 . 1 1 91 91 GLY N N 15 102.695 0.3 . 1 . . . . 91 GLY N . 26048 1 858 . 1 1 92 92 ASP H H 1 8.948 0.020 . 1 . . . . 92 ASP H . 26048 1 859 . 1 1 92 92 ASP HA H 1 5.407 0.020 . 1 . . . . 92 ASP HA . 26048 1 860 . 1 1 92 92 ASP HB2 H 1 3.116 0.020 . 2 . . . . 92 ASP HB2 . 26048 1 861 . 1 1 92 92 ASP HB3 H 1 2.924 0.020 . 2 . . . . 92 ASP HB3 . 26048 1 862 . 1 1 92 92 ASP C C 13 175.277 0.3 . 1 . . . . 92 ASP C . 26048 1 863 . 1 1 92 92 ASP CA C 13 54.638 0.3 . 1 . . . . 92 ASP CA . 26048 1 864 . 1 1 92 92 ASP CB C 13 42.493 0.3 . 1 . . . . 92 ASP CB . 26048 1 865 . 1 1 92 92 ASP N N 15 118.643 0.3 . 1 . . . . 92 ASP N . 26048 1 866 . 1 1 93 93 SER H H 1 7.782 0.020 . 1 . . . . 93 SER H . 26048 1 867 . 1 1 93 93 SER HA H 1 4.329 0.020 . 1 . . . . 93 SER HA . 26048 1 868 . 1 1 93 93 SER HB2 H 1 3.969 0.020 . 1 . . . . 93 SER HB2 . 26048 1 869 . 1 1 93 93 SER HB3 H 1 3.969 0.020 . 1 . . . . 93 SER HB3 . 26048 1 870 . 1 1 93 93 SER C C 13 172.462 0.3 . 1 . . . . 93 SER C . 26048 1 871 . 1 1 93 93 SER CA C 13 56.398 0.3 . 1 . . . . 93 SER CA . 26048 1 872 . 1 1 93 93 SER CB C 13 66.101 0.3 . 1 . . . . 93 SER CB . 26048 1 873 . 1 1 93 93 SER N N 15 112.655 0.3 . 1 . . . . 93 SER N . 26048 1 874 . 1 1 94 94 LEU H H 1 9.034 0.020 . 1 . . . . 94 LEU H . 26048 1 875 . 1 1 94 94 LEU HA H 1 3.856 0.020 . 1 . . . . 94 LEU HA . 26048 1 876 . 1 1 94 94 LEU HB2 H 1 1.584 0.020 . 2 . . . . 94 LEU HB2 . 26048 1 877 . 1 1 94 94 LEU HB3 H 1 1.118 0.020 . 2 . . . . 94 LEU HB3 . 26048 1 878 . 1 1 94 94 LEU HG H 1 0.484 0.020 . 1 . . . . 94 LEU HG . 26048 1 879 . 1 1 94 94 LEU HD11 H 1 0.864 0.020 . 1 . . . . 94 LEU HD1 . 26048 1 880 . 1 1 94 94 LEU HD12 H 1 0.864 0.020 . 1 . . . . 94 LEU HD1 . 26048 1 881 . 1 1 94 94 LEU HD13 H 1 0.864 0.020 . 1 . . . . 94 LEU HD1 . 26048 1 882 . 1 1 94 94 LEU HD21 H 1 0.461 0.020 . 1 . . . . 94 LEU HD2 . 26048 1 883 . 1 1 94 94 LEU HD22 H 1 0.461 0.020 . 1 . . . . 94 LEU HD2 . 26048 1 884 . 1 1 94 94 LEU HD23 H 1 0.461 0.020 . 1 . . . . 94 LEU HD2 . 26048 1 885 . 1 1 94 94 LEU C C 13 174.536 0.3 . 1 . . . . 94 LEU C . 26048 1 886 . 1 1 94 94 LEU CA C 13 59.694 0.3 . 1 . . . . 94 LEU CA . 26048 1 887 . 1 1 94 94 LEU CB C 13 39.128 0.3 . 1 . . . . 94 LEU CB . 26048 1 888 . 1 1 94 94 LEU CG C 13 27.314 0.3 . 1 . . . . 94 LEU CG . 26048 1 889 . 1 1 94 94 LEU CD1 C 13 25.928 0.3 . 1 . . . . 94 LEU CD1 . 26048 1 890 . 1 1 94 94 LEU CD2 C 13 24.967 0.3 . 1 . . . . 94 LEU CD2 . 26048 1 891 . 1 1 94 94 LEU N N 15 121.385 0.3 . 1 . . . . 94 LEU N . 26048 1 892 . 1 1 95 95 PRO HA H 1 4.285 0.020 . 1 . . . . 95 PRO HA . 26048 1 893 . 1 1 95 95 PRO HB2 H 1 2.226 0.020 . 2 . . . . 95 PRO HB2 . 26048 1 894 . 1 1 95 95 PRO HB3 H 1 2.083 0.020 . 2 . . . . 95 PRO HB3 . 26048 1 895 . 1 1 95 95 PRO HG2 H 1 1.840 0.020 . 1 . . . . 95 PRO HG2 . 26048 1 896 . 1 1 95 95 PRO HG3 H 1 1.840 0.020 . 1 . . . . 95 PRO HG3 . 26048 1 897 . 1 1 95 95 PRO HD2 H 1 3.837 0.020 . 2 . . . . 95 PRO HD2 . 26048 1 898 . 1 1 95 95 PRO HD3 H 1 3.085 0.020 . 2 . . . . 95 PRO HD3 . 26048 1 899 . 1 1 95 95 PRO C C 13 178.214 0.3 . 1 . . . . 95 PRO C . 26048 1 900 . 1 1 95 95 PRO CA C 13 66.668 0.3 . 1 . . . . 95 PRO CA . 26048 1 901 . 1 1 95 95 PRO CB C 13 30.527 0.3 . 1 . . . . 95 PRO CB . 26048 1 902 . 1 1 95 95 PRO CG C 13 28.525 0.3 . 1 . . . . 95 PRO CG . 26048 1 903 . 1 1 95 95 PRO CD C 13 49.433 0.3 . 1 . . . . 95 PRO CD . 26048 1 904 . 1 1 96 96 GLU H H 1 6.913 0.020 . 1 . . . . 96 GLU H . 26048 1 905 . 1 1 96 96 GLU HA H 1 4.484 0.020 . 1 . . . . 96 GLU HA . 26048 1 906 . 1 1 96 96 GLU HB2 H 1 2.421 0.020 . 2 . . . . 96 GLU HB2 . 26048 1 907 . 1 1 96 96 GLU HB3 H 1 2.279 0.020 . 2 . . . . 96 GLU HB3 . 26048 1 908 . 1 1 96 96 GLU HG2 H 1 2.787 0.020 . 2 . . . . 96 GLU HG2 . 26048 1 909 . 1 1 96 96 GLU HG3 H 1 2.738 0.020 . 2 . . . . 96 GLU HG3 . 26048 1 910 . 1 1 96 96 GLU C C 13 178.660 0.3 . 1 . . . . 96 GLU C . 26048 1 911 . 1 1 96 96 GLU CA C 13 59.560 0.3 . 1 . . . . 96 GLU CA . 26048 1 912 . 1 1 96 96 GLU CB C 13 31.342 0.3 . 1 . . . . 96 GLU CB . 26048 1 913 . 1 1 96 96 GLU CG C 13 37.088 0.3 . 1 . . . . 96 GLU CG . 26048 1 914 . 1 1 96 96 GLU N N 15 116.194 0.3 . 1 . . . . 96 GLU N . 26048 1 915 . 1 1 97 97 PHE H H 1 8.853 0.020 . 1 . . . . 97 PHE H . 26048 1 916 . 1 1 97 97 PHE HA H 1 5.384 0.020 . 1 . . . . 97 PHE HA . 26048 1 917 . 1 1 97 97 PHE HB2 H 1 3.975 0.020 . 2 . . . . 97 PHE HB2 . 26048 1 918 . 1 1 97 97 PHE HB3 H 1 3.607 0.020 . 2 . . . . 97 PHE HB3 . 26048 1 919 . 1 1 97 97 PHE C C 13 180.091 0.3 . 1 . . . . 97 PHE C . 26048 1 920 . 1 1 97 97 PHE CA C 13 62.101 0.3 . 1 . . . . 97 PHE CA . 26048 1 921 . 1 1 97 97 PHE CB C 13 41.842 0.3 . 1 . . . . 97 PHE CB . 26048 1 922 . 1 1 97 97 PHE N N 15 120.199 0.3 . 1 . . . . 97 PHE N . 26048 1 923 . 1 1 98 98 MET H H 1 8.947 0.020 . 1 . . . . 98 MET H . 26048 1 924 . 1 1 98 98 MET HA H 1 4.010 0.020 . 1 . . . . 98 MET HA . 26048 1 925 . 1 1 98 98 MET HB2 H 1 1.880 0.020 . 1 . . . . 98 MET HB2 . 26048 1 926 . 1 1 98 98 MET HB3 H 1 1.880 0.020 . 1 . . . . 98 MET HB3 . 26048 1 927 . 1 1 98 98 MET HG2 H 1 2.269 0.020 . 1 . . . . 98 MET HG2 . 26048 1 928 . 1 1 98 98 MET HG3 H 1 2.269 0.020 . 1 . . . . 98 MET HG3 . 26048 1 929 . 1 1 98 98 MET C C 13 179.760 0.3 . 1 . . . . 98 MET C . 26048 1 930 . 1 1 98 98 MET CA C 13 58.142 0.3 . 1 . . . . 98 MET CA . 26048 1 931 . 1 1 98 98 MET CB C 13 32.225 0.3 . 1 . . . . 98 MET CB . 26048 1 932 . 1 1 98 98 MET CG C 13 31.259 0.3 . 1 . . . . 98 MET CG . 26048 1 933 . 1 1 98 98 MET N N 15 115.037 0.3 . 1 . . . . 98 MET N . 26048 1 934 . 1 1 99 99 GLU H H 1 8.320 0.020 . 1 . . . . 99 GLU H . 26048 1 935 . 1 1 99 99 GLU HA H 1 4.943 0.020 . 1 . . . . 99 GLU HA . 26048 1 936 . 1 1 99 99 GLU HB2 H 1 2.893 0.020 . 2 . . . . 99 GLU HB2 . 26048 1 937 . 1 1 99 99 GLU HB3 H 1 2.732 0.020 . 2 . . . . 99 GLU HB3 . 26048 1 938 . 1 1 99 99 GLU HG2 H 1 3.175 0.020 . 2 . . . . 99 GLU HG2 . 26048 1 939 . 1 1 99 99 GLU HG3 H 1 2.918 0.020 . 2 . . . . 99 GLU HG3 . 26048 1 940 . 1 1 99 99 GLU C C 13 178.899 0.3 . 1 . . . . 99 GLU C . 26048 1 941 . 1 1 99 99 GLU CA C 13 59.359 0.3 . 1 . . . . 99 GLU CA . 26048 1 942 . 1 1 99 99 GLU CB C 13 30.613 0.3 . 1 . . . . 99 GLU CB . 26048 1 943 . 1 1 99 99 GLU CG C 13 36.631 0.3 . 1 . . . . 99 GLU CG . 26048 1 944 . 1 1 99 99 GLU N N 15 117.124 0.3 . 1 . . . . 99 GLU N . 26048 1 945 . 1 1 100 100 ASN H H 1 8.975 0.020 . 1 . . . . 100 ASN H . 26048 1 946 . 1 1 100 100 ASN HA H 1 5.036 0.020 . 1 . . . . 100 ASN HA . 26048 1 947 . 1 1 100 100 ASN HB2 H 1 4.409 0.020 . 1 . . . . 100 ASN HB2 . 26048 1 948 . 1 1 100 100 ASN C C 13 178.119 0.3 . 1 . . . . 100 ASN C . 26048 1 949 . 1 1 100 100 ASN CA C 13 54.871 0.3 . 1 . . . . 100 ASN CA . 26048 1 950 . 1 1 100 100 ASN CB C 13 41.944 0.3 . 1 . . . . 100 ASN CB . 26048 1 951 . 1 1 100 100 ASN N N 15 117.878 0.3 . 1 . . . . 100 ASN N . 26048 1 952 . 1 1 109 109 GLY HA2 H 1 3.551 0.020 . 1 . . . . 109 GLY HA2 . 26048 1 953 . 1 1 109 109 GLY HA3 H 1 3.551 0.020 . 1 . . . . 109 GLY HA3 . 26048 1 954 . 1 1 109 109 GLY C C 13 172.603 0.3 . 1 . . . . 109 GLY C . 26048 1 955 . 1 1 109 109 GLY CA C 13 44.179 0.3 . 1 . . . . 109 GLY CA . 26048 1 956 . 1 1 110 110 LEU H H 1 5.905 0.020 . 1 . . . . 110 LEU H . 26048 1 957 . 1 1 110 110 LEU HA H 1 3.362 0.020 . 1 . . . . 110 LEU HA . 26048 1 958 . 1 1 110 110 LEU HB2 H 1 1.174 0.020 . 2 . . . . 110 LEU HB2 . 26048 1 959 . 1 1 110 110 LEU HB3 H 1 0.906 0.020 . 2 . . . . 110 LEU HB3 . 26048 1 960 . 1 1 110 110 LEU HG H 1 0.888 0.020 . 1 . . . . 110 LEU HG . 26048 1 961 . 1 1 110 110 LEU HD11 H 1 0.489 0.020 . 1 . . . . 110 LEU HD1 . 26048 1 962 . 1 1 110 110 LEU HD12 H 1 0.489 0.020 . 1 . . . . 110 LEU HD1 . 26048 1 963 . 1 1 110 110 LEU HD13 H 1 0.489 0.020 . 1 . . . . 110 LEU HD1 . 26048 1 964 . 1 1 110 110 LEU HD21 H 1 0.321 0.020 . 1 . . . . 110 LEU HD2 . 26048 1 965 . 1 1 110 110 LEU HD22 H 1 0.321 0.020 . 1 . . . . 110 LEU HD2 . 26048 1 966 . 1 1 110 110 LEU HD23 H 1 0.321 0.020 . 1 . . . . 110 LEU HD2 . 26048 1 967 . 1 1 110 110 LEU CA C 13 56.489 0.3 . 1 . . . . 110 LEU CA . 26048 1 968 . 1 1 110 110 LEU CB C 13 40.682 0.3 . 1 . . . . 110 LEU CB . 26048 1 969 . 1 1 110 110 LEU CG C 13 25.799 0.3 . 1 . . . . 110 LEU CG . 26048 1 970 . 1 1 110 110 LEU CD1 C 13 24.588 0.3 . 1 . . . . 110 LEU CD1 . 26048 1 971 . 1 1 110 110 LEU CD2 C 13 21.534 0.3 . 1 . . . . 110 LEU CD2 . 26048 1 972 . 1 1 110 110 LEU N N 15 117.858 0.3 . 1 . . . . 110 LEU N . 26048 1 973 . 1 1 111 111 SER H H 1 6.376 0.020 . 1 . . . . 111 SER H . 26048 1 974 . 1 1 111 111 SER HA H 1 3.798 0.020 . 1 . . . . 111 SER HA . 26048 1 975 . 1 1 111 111 SER HB2 H 1 2.896 0.020 . 2 . . . . 111 SER HB2 . 26048 1 976 . 1 1 111 111 SER HB3 H 1 2.730 0.020 . 2 . . . . 111 SER HB3 . 26048 1 977 . 1 1 111 111 SER CA C 13 58.240 0.3 . 1 . . . . 111 SER CA . 26048 1 978 . 1 1 111 111 SER CB C 13 63.485 0.3 . 1 . . . . 111 SER CB . 26048 1 979 . 1 1 111 111 SER N N 15 110.802 0.3 . 1 . . . . 111 SER N . 26048 1 980 . 1 1 112 112 PHE H H 1 5.902 0.020 . 1 . . . . 112 PHE H . 26048 1 981 . 1 1 112 112 PHE HA H 1 3.801 0.020 . 1 . . . . 112 PHE HA . 26048 1 982 . 1 1 112 112 PHE HB2 H 1 2.758 0.020 . 1 . . . . 112 PHE HB2 . 26048 1 983 . 1 1 112 112 PHE HB3 H 1 2.758 0.020 . 1 . . . . 112 PHE HB3 . 26048 1 984 . 1 1 112 112 PHE CA C 13 53.689 0.3 . 1 . . . . 112 PHE CA . 26048 1 985 . 1 1 112 112 PHE CB C 13 38.756 0.3 . 1 . . . . 112 PHE CB . 26048 1 986 . 1 1 112 112 PHE N N 15 118.823 0.3 . 1 . . . . 112 PHE N . 26048 1 987 . 1 1 113 113 PRO HA H 1 3.714 0.020 . 1 . . . . 113 PRO HA . 26048 1 988 . 1 1 113 113 PRO HB2 H 1 1.958 0.020 . 2 . . . . 113 PRO HB2 . 26048 1 989 . 1 1 113 113 PRO HB3 H 1 1.611 0.020 . 2 . . . . 113 PRO HB3 . 26048 1 990 . 1 1 113 113 PRO HG2 H 1 1.685 0.020 . 2 . . . . 113 PRO HG2 . 26048 1 991 . 1 1 113 113 PRO HG3 H 1 1.593 0.020 . 2 . . . . 113 PRO HG3 . 26048 1 992 . 1 1 113 113 PRO HD2 H 1 3.295 0.020 . 2 . . . . 113 PRO HD2 . 26048 1 993 . 1 1 113 113 PRO HD3 H 1 2.940 0.020 . 2 . . . . 113 PRO HD3 . 26048 1 994 . 1 1 113 113 PRO C C 13 177.444 0.3 . 1 . . . . 113 PRO C . 26048 1 995 . 1 1 113 113 PRO CA C 13 64.651 0.3 . 1 . . . . 113 PRO CA . 26048 1 996 . 1 1 113 113 PRO CB C 13 31.763 0.3 . 1 . . . . 113 PRO CB . 26048 1 997 . 1 1 113 113 PRO CG C 13 26.843 0.3 . 1 . . . . 113 PRO CG . 26048 1 998 . 1 1 113 113 PRO CD C 13 49.962 0.3 . 1 . . . . 113 PRO CD . 26048 1 999 . 1 1 114 114 GLN H H 1 7.800 0.020 . 1 . . . . 114 GLN H . 26048 1 1000 . 1 1 114 114 GLN HA H 1 4.150 0.020 . 1 . . . . 114 GLN HA . 26048 1 1001 . 1 1 114 114 GLN HB2 H 1 2.182 0.020 . 2 . . . . 114 GLN HB2 . 26048 1 1002 . 1 1 114 114 GLN HB3 H 1 1.662 0.020 . 2 . . . . 114 GLN HB3 . 26048 1 1003 . 1 1 114 114 GLN HG2 H 1 2.044 0.020 . 1 . . . . 114 GLN HG2 . 26048 1 1004 . 1 1 114 114 GLN HG3 H 1 2.044 0.020 . 1 . . . . 114 GLN HG3 . 26048 1 1005 . 1 1 114 114 GLN C C 13 175.285 0.3 . 1 . . . . 114 GLN C . 26048 1 1006 . 1 1 114 114 GLN CA C 13 54.202 0.3 . 1 . . . . 114 GLN CA . 26048 1 1007 . 1 1 114 114 GLN CB C 13 27.171 0.3 . 1 . . . . 114 GLN CB . 26048 1 1008 . 1 1 114 114 GLN CG C 13 34.053 0.3 . 1 . . . . 114 GLN CG . 26048 1 1009 . 1 1 114 114 GLN N N 15 114.141 0.3 . 1 . . . . 114 GLN N . 26048 1 1010 . 1 1 115 115 LEU H H 1 6.658 0.020 . 1 . . . . 115 LEU H . 26048 1 1011 . 1 1 115 115 LEU HA H 1 4.375 0.020 . 1 . . . . 115 LEU HA . 26048 1 1012 . 1 1 115 115 LEU HB2 H 1 3.389 0.020 . 2 . . . . 115 LEU HB2 . 26048 1 1013 . 1 1 115 115 LEU HB3 H 1 3.110 0.020 . 2 . . . . 115 LEU HB3 . 26048 1 1014 . 1 1 115 115 LEU C C 13 174.882 0.3 . 1 . . . . 115 LEU C . 26048 1 1015 . 1 1 115 115 LEU CA C 13 55.428 0.3 . 1 . . . . 115 LEU CA . 26048 1 1016 . 1 1 115 115 LEU CB C 13 40.385 0.3 . 1 . . . . 115 LEU CB . 26048 1 1017 . 1 1 115 115 LEU N N 15 123.110 0.3 . 1 . . . . 115 LEU N . 26048 1 1018 . 1 1 120 120 PHE HA H 1 6.087 0.020 . 1 . . . . 120 PHE HA . 26048 1 1019 . 1 1 120 120 PHE HB2 H 1 4.862 0.020 . 1 . . . . 120 PHE HB2 . 26048 1 1020 . 1 1 120 120 PHE C C 13 175.525 0.3 . 1 . . . . 120 PHE C . 26048 1 1021 . 1 1 120 120 PHE CA C 13 56.968 0.3 . 1 . . . . 120 PHE CA . 26048 1 1022 . 1 1 120 120 PHE CB C 13 44.673 0.3 . 1 . . . . 120 PHE CB . 26048 1 1023 . 1 1 121 121 GLU H H 1 8.810 0.020 . 1 . . . . 121 GLU H . 26048 1 1024 . 1 1 121 121 GLU HA H 1 5.127 0.020 . 1 . . . . 121 GLU HA . 26048 1 1025 . 1 1 121 121 GLU HB2 H 1 2.042 0.020 . 1 . . . . 121 GLU HB2 . 26048 1 1026 . 1 1 121 121 GLU HB3 H 1 2.042 0.020 . 1 . . . . 121 GLU HB3 . 26048 1 1027 . 1 1 121 121 GLU HG2 H 1 2.454 0.020 . 1 . . . . 121 GLU HG2 . 26048 1 1028 . 1 1 121 121 GLU HG3 H 1 2.454 0.020 . 1 . . . . 121 GLU HG3 . 26048 1 1029 . 1 1 121 121 GLU C C 13 175.303 0.3 . 1 . . . . 121 GLU C . 26048 1 1030 . 1 1 121 121 GLU CA C 13 55.434 0.3 . 1 . . . . 121 GLU CA . 26048 1 1031 . 1 1 121 121 GLU CB C 13 33.273 0.3 . 1 . . . . 121 GLU CB . 26048 1 1032 . 1 1 121 121 GLU CG C 13 36.159 0.3 . 1 . . . . 121 GLU CG . 26048 1 1033 . 1 1 121 121 GLU N N 15 121.601 0.3 . 1 . . . . 121 GLU N . 26048 1 1034 . 1 1 122 122 CYS H H 1 9.621 0.020 . 1 . . . . 122 CYS H . 26048 1 1035 . 1 1 122 122 CYS HA H 1 5.539 0.020 . 1 . . . . 122 CYS HA . 26048 1 1036 . 1 1 122 122 CYS HB2 H 1 3.031 0.020 . 1 . . . . 122 CYS HB2 . 26048 1 1037 . 1 1 122 122 CYS HB3 H 1 3.031 0.020 . 1 . . . . 122 CYS HB3 . 26048 1 1038 . 1 1 122 122 CYS C C 13 174.048 0.3 . 1 . . . . 122 CYS C . 26048 1 1039 . 1 1 122 122 CYS CA C 13 57.665 0.3 . 1 . . . . 122 CYS CA . 26048 1 1040 . 1 1 122 122 CYS CB C 13 29.725 0.3 . 1 . . . . 122 CYS CB . 26048 1 1041 . 1 1 122 122 CYS N N 15 126.750 0.3 . 1 . . . . 122 CYS N . 26048 1 1042 . 1 1 123 123 GLN H H 1 9.210 0.020 . 1 . . . . 123 GLN H . 26048 1 1043 . 1 1 123 123 GLN HA H 1 4.857 0.020 . 1 . . . . 123 GLN HA . 26048 1 1044 . 1 1 123 123 GLN HB2 H 1 2.205 0.020 . 2 . . . . 123 GLN HB2 . 26048 1 1045 . 1 1 123 123 GLN HB3 H 1 2.098 0.020 . 2 . . . . 123 GLN HB3 . 26048 1 1046 . 1 1 123 123 GLN HG2 H 1 2.337 0.020 . 1 . . . . 123 GLN HG2 . 26048 1 1047 . 1 1 123 123 GLN HG3 H 1 2.337 0.020 . 1 . . . . 123 GLN HG3 . 26048 1 1048 . 1 1 123 123 GLN C C 13 175.625 0.3 . 1 . . . . 123 GLN C . 26048 1 1049 . 1 1 123 123 GLN CA C 13 54.228 0.3 . 1 . . . . 123 GLN CA . 26048 1 1050 . 1 1 123 123 GLN CB C 13 30.846 0.3 . 1 . . . . 123 GLN CB . 26048 1 1051 . 1 1 123 123 GLN CG C 13 33.026 0.3 . 1 . . . . 123 GLN CG . 26048 1 1052 . 1 1 123 123 GLN N N 15 125.485 0.3 . 1 . . . . 123 GLN N . 26048 1 1053 . 1 1 124 124 HIS HA H 1 4.922 0.020 . 1 . . . . 124 HIS HA . 26048 1 1054 . 1 1 124 124 HIS HB2 H 1 3.254 0.020 . 1 . . . . 124 HIS HB2 . 26048 1 1055 . 1 1 124 124 HIS HB3 H 1 3.254 0.020 . 1 . . . . 124 HIS HB3 . 26048 1 1056 . 1 1 124 124 HIS C C 13 176.245 0.3 . 1 . . . . 124 HIS C . 26048 1 1057 . 1 1 124 124 HIS CA C 13 57.394 0.3 . 1 . . . . 124 HIS CA . 26048 1 1058 . 1 1 124 124 HIS CB C 13 30.444 0.3 . 1 . . . . 124 HIS CB . 26048 1 1059 . 1 1 125 125 THR H H 1 8.451 0.020 . 1 . . . . 125 THR H . 26048 1 1060 . 1 1 125 125 THR HA H 1 4.466 0.020 . 1 . . . . 125 THR HA . 26048 1 1061 . 1 1 125 125 THR HB H 1 4.360 0.020 . 1 . . . . 125 THR HB . 26048 1 1062 . 1 1 125 125 THR HG21 H 1 1.201 0.020 . 1 . . . . 125 THR HG2 . 26048 1 1063 . 1 1 125 125 THR HG22 H 1 1.201 0.020 . 1 . . . . 125 THR HG2 . 26048 1 1064 . 1 1 125 125 THR HG23 H 1 1.201 0.020 . 1 . . . . 125 THR HG2 . 26048 1 1065 . 1 1 125 125 THR C C 13 174.752 0.3 . 1 . . . . 125 THR C . 26048 1 1066 . 1 1 125 125 THR CA C 13 62.210 0.3 . 1 . . . . 125 THR CA . 26048 1 1067 . 1 1 125 125 THR CB C 13 69.536 0.3 . 1 . . . . 125 THR CB . 26048 1 1068 . 1 1 125 125 THR CG2 C 13 22.511 0.3 . 1 . . . . 125 THR CG2 . 26048 1 1069 . 1 1 125 125 THR N N 15 115.999 0.3 . 1 . . . . 125 THR N . 26048 1 1070 . 1 1 126 126 SER H H 1 8.560 0.020 . 1 . . . . 126 SER H . 26048 1 1071 . 1 1 126 126 SER C C 13 177.909 0.3 . 1 . . . . 126 SER C . 26048 1 1072 . 1 1 126 126 SER CA C 13 58.521 0.3 . 1 . . . . 126 SER CA . 26048 1 1073 . 1 1 126 126 SER CB C 13 64.836 0.3 . 1 . . . . 126 SER CB . 26048 1 1074 . 1 1 126 126 SER N N 15 115.731 0.3 . 1 . . . . 126 SER N . 26048 1 1075 . 1 1 127 127 SER HA H 1 4.428 0.020 . 1 . . . . 127 SER HA . 26048 1 1076 . 1 1 127 127 SER HB2 H 1 4.026 0.020 . 1 . . . . 127 SER HB2 . 26048 1 1077 . 1 1 127 127 SER HB3 H 1 4.026 0.020 . 1 . . . . 127 SER HB3 . 26048 1 1078 . 1 1 127 127 SER C C 13 173.956 0.3 . 1 . . . . 127 SER C . 26048 1 1079 . 1 1 127 127 SER CA C 13 60.723 0.3 . 1 . . . . 127 SER CA . 26048 1 1080 . 1 1 127 127 SER CB C 13 62.975 0.3 . 1 . . . . 127 SER CB . 26048 1 1081 . 1 1 128 128 LYS H H 1 8.005 0.020 . 1 . . . . 128 LYS H . 26048 1 1082 . 1 1 128 128 LYS HA H 1 4.043 0.020 . 1 . . . . 128 LYS HA . 26048 1 1083 . 1 1 128 128 LYS HB2 H 1 1.972 0.020 . 2 . . . . 128 LYS HB2 . 26048 1 1084 . 1 1 128 128 LYS HB3 H 1 1.409 0.020 . 2 . . . . 128 LYS HB3 . 26048 1 1085 . 1 1 128 128 LYS C C 13 174.527 0.3 . 1 . . . . 128 LYS C . 26048 1 1086 . 1 1 128 128 LYS CA C 13 54.999 0.3 . 1 . . . . 128 LYS CA . 26048 1 1087 . 1 1 128 128 LYS CB C 13 33.162 0.3 . 1 . . . . 128 LYS CB . 26048 1 1088 . 1 1 128 128 LYS CG C 13 24.436 0.3 . 1 . . . . 128 LYS CG . 26048 1 1089 . 1 1 128 128 LYS CD C 13 28.759 0.3 . 1 . . . . 128 LYS CD . 26048 1 1090 . 1 1 128 128 LYS CE C 13 42.200 0.3 . 1 . . . . 128 LYS CE . 26048 1 1091 . 1 1 128 128 LYS N N 15 117.132 0.3 . 1 . . . . 128 LYS N . 26048 1 1092 . 1 1 129 129 SER H H 1 7.413 0.020 . 1 . . . . 129 SER H . 26048 1 1093 . 1 1 129 129 SER HA H 1 5.550 0.020 . 1 . . . . 129 SER HA . 26048 1 1094 . 1 1 129 129 SER HB2 H 1 3.876 0.020 . 2 . . . . 129 SER HB2 . 26048 1 1095 . 1 1 129 129 SER HB3 H 1 3.701 0.020 . 2 . . . . 129 SER HB3 . 26048 1 1096 . 1 1 129 129 SER C C 13 173.587 0.3 . 1 . . . . 129 SER C . 26048 1 1097 . 1 1 129 129 SER CA C 13 57.489 0.3 . 1 . . . . 129 SER CA . 26048 1 1098 . 1 1 129 129 SER CB C 13 66.693 0.3 . 1 . . . . 129 SER CB . 26048 1 1099 . 1 1 129 129 SER N N 15 111.659 0.3 . 1 . . . . 129 SER N . 26048 1 1100 . 1 1 130 130 MET H H 1 9.315 0.020 . 1 . . . . 130 MET H . 26048 1 1101 . 1 1 130 130 MET HA H 1 5.375 0.020 . 1 . . . . 130 MET HA . 26048 1 1102 . 1 1 130 130 MET HB2 H 1 2.369 0.020 . 2 . . . . 130 MET HB2 . 26048 1 1103 . 1 1 130 130 MET HB3 H 1 1.895 0.020 . 2 . . . . 130 MET HB3 . 26048 1 1104 . 1 1 130 130 MET HG2 H 1 2.540 0.020 . 1 . . . . 130 MET HG2 . 26048 1 1105 . 1 1 130 130 MET HG3 H 1 2.540 0.020 . 1 . . . . 130 MET HG3 . 26048 1 1106 . 1 1 130 130 MET C C 13 174.030 0.3 . 1 . . . . 130 MET C . 26048 1 1107 . 1 1 130 130 MET CA C 13 54.925 0.3 . 1 . . . . 130 MET CA . 26048 1 1108 . 1 1 130 130 MET CB C 13 38.091 0.3 . 1 . . . . 130 MET CB . 26048 1 1109 . 1 1 130 130 MET CG C 13 31.892 0.3 . 1 . . . . 130 MET CG . 26048 1 1110 . 1 1 130 130 MET CE C 13 17.211 0.3 . 1 . . . . 130 MET CE . 26048 1 1111 . 1 1 130 130 MET N N 15 119.316 0.3 . 1 . . . . 130 MET N . 26048 1 1112 . 1 1 131 131 GLU H H 1 9.355 0.020 . 1 . . . . 131 GLU H . 26048 1 1113 . 1 1 131 131 GLU HA H 1 5.218 0.020 . 1 . . . . 131 GLU HA . 26048 1 1114 . 1 1 131 131 GLU HB2 H 1 1.995 0.020 . 1 . . . . 131 GLU HB2 . 26048 1 1115 . 1 1 131 131 GLU HB3 H 1 1.995 0.020 . 1 . . . . 131 GLU HB3 . 26048 1 1116 . 1 1 131 131 GLU HG2 H 1 1.968 0.020 . 1 . . . . 131 GLU HG2 . 26048 1 1117 . 1 1 131 131 GLU HG3 H 1 1.968 0.020 . 1 . . . . 131 GLU HG3 . 26048 1 1118 . 1 1 131 131 GLU C C 13 174.537 0.3 . 1 . . . . 131 GLU C . 26048 1 1119 . 1 1 131 131 GLU CA C 13 55.011 0.3 . 1 . . . . 131 GLU CA . 26048 1 1120 . 1 1 131 131 GLU CB C 13 32.712 0.3 . 1 . . . . 131 GLU CB . 26048 1 1121 . 1 1 131 131 GLU CG C 13 37.156 0.3 . 1 . . . . 131 GLU CG . 26048 1 1122 . 1 1 131 131 GLU N N 15 122.028 0.3 . 1 . . . . 131 GLU N . 26048 1 1123 . 1 1 132 132 LEU H H 1 9.550 0.020 . 1 . . . . 132 LEU H . 26048 1 1124 . 1 1 132 132 LEU HA H 1 5.384 0.020 . 1 . . . . 132 LEU HA . 26048 1 1125 . 1 1 132 132 LEU HB2 H 1 2.012 0.020 . 2 . . . . 132 LEU HB2 . 26048 1 1126 . 1 1 132 132 LEU HB3 H 1 1.238 0.020 . 2 . . . . 132 LEU HB3 . 26048 1 1127 . 1 1 132 132 LEU HG H 1 0.646 0.020 . 1 . . . . 132 LEU HG . 26048 1 1128 . 1 1 132 132 LEU HD11 H 1 1.326 0.020 . 1 . . . . 132 LEU HD1 . 26048 1 1129 . 1 1 132 132 LEU HD12 H 1 1.326 0.020 . 1 . . . . 132 LEU HD1 . 26048 1 1130 . 1 1 132 132 LEU HD13 H 1 1.326 0.020 . 1 . . . . 132 LEU HD1 . 26048 1 1131 . 1 1 132 132 LEU C C 13 174.637 0.3 . 1 . . . . 132 LEU C . 26048 1 1132 . 1 1 132 132 LEU CA C 13 53.298 0.3 . 1 . . . . 132 LEU CA . 26048 1 1133 . 1 1 132 132 LEU CB C 13 46.922 0.3 . 1 . . . . 132 LEU CB . 26048 1 1134 . 1 1 132 132 LEU CG C 13 26.578 0.3 . 1 . . . . 132 LEU CG . 26048 1 1135 . 1 1 132 132 LEU CD1 C 13 24.349 0.3 . 1 . . . . 132 LEU CD1 . 26048 1 1136 . 1 1 132 132 LEU N N 15 126.538 0.3 . 1 . . . . 132 LEU N . 26048 1 1137 . 1 1 133 133 HIS H H 1 9.929 0.020 . 1 . . . . 133 HIS H . 26048 1 1138 . 1 1 133 133 HIS HA H 1 4.851 0.020 . 1 . . . . 133 HIS HA . 26048 1 1139 . 1 1 133 133 HIS HB2 H 1 3.379 0.020 . 2 . . . . 133 HIS HB2 . 26048 1 1140 . 1 1 133 133 HIS HB3 H 1 2.869 0.020 . 2 . . . . 133 HIS HB3 . 26048 1 1141 . 1 1 133 133 HIS C C 13 174.074 0.3 . 1 . . . . 133 HIS C . 26048 1 1142 . 1 1 133 133 HIS CA C 13 55.847 0.3 . 1 . . . . 133 HIS CA . 26048 1 1143 . 1 1 133 133 HIS CB C 13 31.797 0.3 . 1 . . . . 133 HIS CB . 26048 1 1144 . 1 1 133 133 HIS N N 15 128.928 0.3 . 1 . . . . 133 HIS N . 26048 1 1145 . 1 1 134 134 TYR H H 1 8.541 0.020 . 1 . . . . 134 TYR H . 26048 1 1146 . 1 1 134 134 TYR HA H 1 4.979 0.020 . 1 . . . . 134 TYR HA . 26048 1 1147 . 1 1 134 134 TYR HB2 H 1 2.643 0.020 . 2 . . . . 134 TYR HB2 . 26048 1 1148 . 1 1 134 134 TYR HB3 H 1 2.569 0.020 . 2 . . . . 134 TYR HB3 . 26048 1 1149 . 1 1 134 134 TYR C C 13 172.914 0.3 . 1 . . . . 134 TYR C . 26048 1 1150 . 1 1 134 134 TYR CA C 13 54.297 0.3 . 1 . . . . 134 TYR CA . 26048 1 1151 . 1 1 134 134 TYR CB C 13 41.497 0.3 . 1 . . . . 134 TYR CB . 26048 1 1152 . 1 1 134 134 TYR N N 15 126.574 0.3 . 1 . . . . 134 TYR N . 26048 1 1153 . 1 1 135 135 GLN H H 1 8.617 0.020 . 1 . . . . 135 GLN H . 26048 1 1154 . 1 1 135 135 GLN HA H 1 4.071 0.020 . 1 . . . . 135 GLN HA . 26048 1 1155 . 1 1 135 135 GLN HB2 H 1 1.578 0.020 . 2 . . . . 135 GLN HB2 . 26048 1 1156 . 1 1 135 135 GLN HB3 H 1 1.391 0.020 . 2 . . . . 135 GLN HB3 . 26048 1 1157 . 1 1 135 135 GLN HG2 H 1 2.400 0.020 . 1 . . . . 135 GLN HG2 . 26048 1 1158 . 1 1 135 135 GLN HG3 H 1 2.400 0.020 . 1 . . . . 135 GLN HG3 . 26048 1 1159 . 1 1 135 135 GLN C C 13 172.739 0.3 . 1 . . . . 135 GLN C . 26048 1 1160 . 1 1 135 135 GLN CA C 13 54.079 0.3 . 1 . . . . 135 GLN CA . 26048 1 1161 . 1 1 135 135 GLN CB C 13 31.252 0.3 . 1 . . . . 135 GLN CB . 26048 1 1162 . 1 1 135 135 GLN CG C 13 33.286 0.3 . 1 . . . . 135 GLN CG . 26048 1 1163 . 1 1 135 135 GLN N N 15 128.869 0.3 . 1 . . . . 135 GLN N . 26048 1 1164 . 1 1 136 136 SER H H 1 7.961 0.020 . 1 . . . . 136 SER H . 26048 1 1165 . 1 1 136 136 SER HA H 1 4.048 0.020 . 1 . . . . 136 SER HA . 26048 1 1166 . 1 1 136 136 SER HB2 H 1 3.151 0.020 . 1 . . . . 136 SER HB2 . 26048 1 1167 . 1 1 136 136 SER HB3 H 1 3.151 0.020 . 1 . . . . 136 SER HB3 . 26048 1 1168 . 1 1 136 136 SER C C 13 174.744 0.3 . 1 . . . . 136 SER C . 26048 1 1169 . 1 1 136 136 SER CA C 13 56.036 0.3 . 1 . . . . 136 SER CA . 26048 1 1170 . 1 1 136 136 SER CB C 13 64.329 0.3 . 1 . . . . 136 SER CB . 26048 1 1171 . 1 1 136 136 SER N N 15 116.245 0.3 . 1 . . . . 136 SER N . 26048 1 1172 . 1 1 137 137 THR H H 1 8.365 0.020 . 1 . . . . 137 THR H . 26048 1 1173 . 1 1 137 137 THR HA H 1 4.169 0.020 . 1 . . . . 137 THR HA . 26048 1 1174 . 1 1 137 137 THR HB H 1 4.252 0.020 . 1 . . . . 137 THR HB . 26048 1 1175 . 1 1 137 137 THR HG21 H 1 0.930 0.020 . 1 . . . . 137 THR HG2 . 26048 1 1176 . 1 1 137 137 THR HG22 H 1 0.930 0.020 . 1 . . . . 137 THR HG2 . 26048 1 1177 . 1 1 137 137 THR HG23 H 1 0.930 0.020 . 1 . . . . 137 THR HG2 . 26048 1 1178 . 1 1 137 137 THR C C 13 174.735 0.3 . 1 . . . . 137 THR C . 26048 1 1179 . 1 1 137 137 THR CA C 13 62.785 0.3 . 1 . . . . 137 THR CA . 26048 1 1180 . 1 1 137 137 THR CB C 13 69.398 0.3 . 1 . . . . 137 THR CB . 26048 1 1181 . 1 1 137 137 THR CG2 C 13 21.339 0.3 . 1 . . . . 137 THR CG2 . 26048 1 1182 . 1 1 137 137 THR N N 15 116.917 0.3 . 1 . . . . 137 THR N . 26048 1 1183 . 1 1 138 138 ARG H H 1 9.410 0.020 . 1 . . . . 138 ARG H . 26048 1 1184 . 1 1 138 138 ARG HA H 1 4.732 0.020 . 1 . . . . 138 ARG HA . 26048 1 1185 . 1 1 138 138 ARG HB2 H 1 2.405 0.020 . 1 . . . . 138 ARG HB2 . 26048 1 1186 . 1 1 138 138 ARG HB3 H 1 2.405 0.020 . 1 . . . . 138 ARG HB3 . 26048 1 1187 . 1 1 138 138 ARG C C 13 175.980 0.3 . 1 . . . . 138 ARG C . 26048 1 1188 . 1 1 138 138 ARG CA C 13 55.843 0.3 . 1 . . . . 138 ARG CA . 26048 1 1189 . 1 1 138 138 ARG CB C 13 32.380 0.3 . 1 . . . . 138 ARG CB . 26048 1 1190 . 1 1 138 138 ARG N N 15 124.976 0.3 . 1 . . . . 138 ARG N . 26048 1 1191 . 1 1 139 139 ALA H H 1 8.711 0.020 . 1 . . . . 139 ALA H . 26048 1 1192 . 1 1 139 139 ALA HA H 1 4.602 0.020 . 1 . . . . 139 ALA HA . 26048 1 1193 . 1 1 139 139 ALA HB1 H 1 1.356 0.020 . 1 . . . . 139 ALA HB3 . 26048 1 1194 . 1 1 139 139 ALA HB2 H 1 1.356 0.020 . 1 . . . . 139 ALA HB2 . 26048 1 1195 . 1 1 139 139 ALA HB3 H 1 1.356 0.020 . 1 . . . . 139 ALA HB3 . 26048 1 1196 . 1 1 139 139 ALA C C 13 180.131 0.3 . 1 . . . . 139 ALA C . 26048 1 1197 . 1 1 139 139 ALA CA C 13 51.200 0.3 . 1 . . . . 139 ALA CA . 26048 1 1198 . 1 1 139 139 ALA CB C 13 20.813 0.3 . 1 . . . . 139 ALA CB . 26048 1 1199 . 1 1 139 139 ALA N N 15 125.195 0.3 . 1 . . . . 139 ALA N . 26048 1 1200 . 1 1 140 140 GLY H H 1 8.662 0.020 . 1 . . . . 140 GLY H . 26048 1 1201 . 1 1 140 140 GLY HA2 H 1 3.986 0.020 . 2 . . . . 140 GLY HA2 . 26048 1 1202 . 1 1 140 140 GLY HA3 H 1 3.956 0.020 . 2 . . . . 140 GLY HA3 . 26048 1 1203 . 1 1 140 140 GLY C C 13 175.661 0.3 . 1 . . . . 140 GLY C . 26048 1 1204 . 1 1 140 140 GLY CA C 13 47.335 0.3 . 1 . . . . 140 GLY CA . 26048 1 1205 . 1 1 140 140 GLY N N 15 106.633 0.3 . 1 . . . . 140 GLY N . 26048 1 1206 . 1 1 141 141 LEU H H 1 8.045 0.020 . 1 . . . . 141 LEU H . 26048 1 1207 . 1 1 141 141 LEU HA H 1 4.574 0.020 . 1 . . . . 141 LEU HA . 26048 1 1208 . 1 1 141 141 LEU HB2 H 1 1.993 0.020 . 1 . . . . 141 LEU HB2 . 26048 1 1209 . 1 1 141 141 LEU HB3 H 1 1.993 0.020 . 1 . . . . 141 LEU HB3 . 26048 1 1210 . 1 1 141 141 LEU HG H 1 1.826 0.020 . 1 . . . . 141 LEU HG . 26048 1 1211 . 1 1 141 141 LEU HD11 H 1 1.226 0.020 . 1 . . . . 141 LEU HD1 . 26048 1 1212 . 1 1 141 141 LEU HD12 H 1 1.226 0.020 . 1 . . . . 141 LEU HD1 . 26048 1 1213 . 1 1 141 141 LEU HD13 H 1 1.226 0.020 . 1 . . . . 141 LEU HD1 . 26048 1 1214 . 1 1 141 141 LEU HD21 H 1 1.208 0.020 . 1 . . . . 141 LEU HD2 . 26048 1 1215 . 1 1 141 141 LEU HD22 H 1 1.208 0.020 . 1 . . . . 141 LEU HD2 . 26048 1 1216 . 1 1 141 141 LEU HD23 H 1 1.208 0.020 . 1 . . . . 141 LEU HD2 . 26048 1 1217 . 1 1 141 141 LEU C C 13 177.603 0.3 . 1 . . . . 141 LEU C . 26048 1 1218 . 1 1 141 141 LEU CA C 13 53.830 0.3 . 1 . . . . 141 LEU CA . 26048 1 1219 . 1 1 141 141 LEU CB C 13 40.554 0.3 . 1 . . . . 141 LEU CB . 26048 1 1220 . 1 1 141 141 LEU CG C 13 27.963 0.3 . 1 . . . . 141 LEU CG . 26048 1 1221 . 1 1 141 141 LEU CD1 C 13 26.368 0.3 . 1 . . . . 141 LEU CD1 . 26048 1 1222 . 1 1 141 141 LEU CD2 C 13 22.108 0.3 . 1 . . . . 141 LEU CD2 . 26048 1 1223 . 1 1 141 141 LEU N N 15 114.788 0.3 . 1 . . . . 141 LEU N . 26048 1 1224 . 1 1 142 142 ALA H H 1 8.589 0.020 . 1 . . . . 142 ALA H . 26048 1 1225 . 1 1 142 142 ALA HA H 1 3.527 0.020 . 1 . . . . 142 ALA HA . 26048 1 1226 . 1 1 142 142 ALA HB1 H 1 1.424 0.020 . 1 . . . . 142 ALA HB . 26048 1 1227 . 1 1 142 142 ALA HB2 H 1 1.424 0.020 . 1 . . . . 142 ALA HB . 26048 1 1228 . 1 1 142 142 ALA HB3 H 1 1.424 0.020 . 1 . . . . 142 ALA HB . 26048 1 1229 . 1 1 142 142 ALA C C 13 175.941 0.3 . 1 . . . . 142 ALA C . 26048 1 1230 . 1 1 142 142 ALA CA C 13 57.040 0.3 . 1 . . . . 142 ALA CA . 26048 1 1231 . 1 1 142 142 ALA CB C 13 15.791 0.3 . 1 . . . . 142 ALA CB . 26048 1 1232 . 1 1 142 142 ALA N N 15 124.254 0.3 . 1 . . . . 142 ALA N . 26048 1 1233 . 1 1 144 144 MET HA H 1 3.748 0.020 . 1 . . . . 144 MET HA . 26048 1 1234 . 1 1 144 144 MET C C 13 176.667 0.3 . 1 . . . . 144 MET C . 26048 1 1235 . 1 1 144 144 MET CA C 13 57.252 0.3 . 1 . . . . 144 MET CA . 26048 1 1236 . 1 1 144 144 MET CB C 13 31.185 0.3 . 1 . . . . 144 MET CB . 26048 1 1237 . 1 1 145 145 VAL H H 1 5.987 0.020 . 1 . . . . 145 VAL H . 26048 1 1238 . 1 1 145 145 VAL HA H 1 3.752 0.020 . 1 . . . . 145 VAL HA . 26048 1 1239 . 1 1 145 145 VAL HB H 1 1.374 0.020 . 1 . . . . 145 VAL HB . 26048 1 1240 . 1 1 145 145 VAL HG11 H 1 0.968 0.020 . 1 . . . . 145 VAL HG1 . 26048 1 1241 . 1 1 145 145 VAL HG12 H 1 0.968 0.020 . 1 . . . . 145 VAL HG1 . 26048 1 1242 . 1 1 145 145 VAL HG13 H 1 0.968 0.020 . 1 . . . . 145 VAL HG1 . 26048 1 1243 . 1 1 145 145 VAL HG21 H 1 1.182 0.020 . 1 . . . . 145 VAL HG2 . 26048 1 1244 . 1 1 145 145 VAL HG22 H 1 1.182 0.020 . 1 . . . . 145 VAL HG2 . 26048 1 1245 . 1 1 145 145 VAL HG23 H 1 1.182 0.020 . 1 . . . . 145 VAL HG2 . 26048 1 1246 . 1 1 145 145 VAL CA C 13 64.556 0.3 . 1 . . . . 145 VAL CA . 26048 1 1247 . 1 1 145 145 VAL CB C 13 28.439 0.3 . 1 . . . . 145 VAL CB . 26048 1 1248 . 1 1 145 145 VAL CG2 C 13 17.863 0.3 . 1 . . . . 145 VAL CG2 . 26048 1 1249 . 1 1 145 145 VAL N N 15 117.242 0.3 . 1 . . . . 145 VAL N . 26048 1 1250 . 1 1 146 146 LEU H H 1 6.244 0.020 . 1 . . . . 146 LEU H . 26048 1 1251 . 1 1 146 146 LEU HA H 1 2.705 0.020 . 1 . . . . 146 LEU HA . 26048 1 1252 . 1 1 146 146 LEU HB2 H 1 1.088 0.020 . 2 . . . . 146 LEU HB2 . 26048 1 1253 . 1 1 146 146 LEU HB3 H 1 1.173 0.020 . 2 . . . . 146 LEU HB3 . 26048 1 1254 . 1 1 146 146 LEU HG H 1 0.970 0.020 . 1 . . . . 146 LEU HG . 26048 1 1255 . 1 1 146 146 LEU HD11 H 1 0.549 0.020 . 1 . . . . 146 LEU HD1 . 26048 1 1256 . 1 1 146 146 LEU HD12 H 1 0.549 0.020 . 1 . . . . 146 LEU HD1 . 26048 1 1257 . 1 1 146 146 LEU HD13 H 1 0.549 0.020 . 1 . . . . 146 LEU HD1 . 26048 1 1258 . 1 1 146 146 LEU HD21 H 1 0.377 0.020 . 1 . . . . 146 LEU HD2 . 26048 1 1259 . 1 1 146 146 LEU HD22 H 1 0.377 0.020 . 1 . . . . 146 LEU HD2 . 26048 1 1260 . 1 1 146 146 LEU HD23 H 1 0.377 0.020 . 1 . . . . 146 LEU HD2 . 26048 1 1261 . 1 1 146 146 LEU CA C 13 58.123 0.3 . 1 . . . . 146 LEU CA . 26048 1 1262 . 1 1 146 146 LEU CB C 13 41.057 0.3 . 1 . . . . 146 LEU CB . 26048 1 1263 . 1 1 146 146 LEU CG C 13 26.327 0.3 . 1 . . . . 146 LEU CG . 26048 1 1264 . 1 1 146 146 LEU CD1 C 13 24.405 0.3 . 1 . . . . 146 LEU CD1 . 26048 1 1265 . 1 1 146 146 LEU CD2 C 13 21.443 0.3 . 1 . . . . 146 LEU CD2 . 26048 1 1266 . 1 1 146 146 LEU N N 15 117.875 0.3 . 1 . . . . 146 LEU N . 26048 1 1267 . 1 1 147 147 GLY H H 1 6.277 0.020 . 1 . . . . 147 GLY H . 26048 1 1268 . 1 1 147 147 GLY HA2 H 1 3.439 0.020 . 2 . . . . 147 GLY HA2 . 26048 1 1269 . 1 1 147 147 GLY HA3 H 1 2.648 0.020 . 2 . . . . 147 GLY HA3 . 26048 1 1270 . 1 1 147 147 GLY CA C 13 47.042 0.3 . 1 . . . . 147 GLY CA . 26048 1 1271 . 1 1 147 147 GLY N N 15 102.243 0.3 . 1 . . . . 147 GLY N . 26048 1 1272 . 1 1 148 148 LEU H H 1 6.326 0.020 . 1 . . . . 148 LEU H . 26048 1 1273 . 1 1 148 148 LEU HA H 1 4.386 0.020 . 1 . . . . 148 LEU HA . 26048 1 1274 . 1 1 148 148 LEU CA C 13 55.421 0.3 . 1 . . . . 148 LEU CA . 26048 1 1275 . 1 1 148 148 LEU CB C 13 42.520 0.3 . 1 . . . . 148 LEU CB . 26048 1 1276 . 1 1 148 148 LEU N N 15 122.798 0.3 . 1 . . . . 148 LEU N . 26048 1 1277 . 1 1 149 149 LEU H H 1 6.647 0.020 . 1 . . . . 149 LEU H . 26048 1 1278 . 1 1 149 149 LEU HA H 1 3.166 0.020 . 1 . . . . 149 LEU HA . 26048 1 1279 . 1 1 149 149 LEU HB2 H 1 0.553 0.020 . 1 . . . . 149 LEU HB2 . 26048 1 1280 . 1 1 149 149 LEU HB3 H 1 0.553 0.020 . 1 . . . . 149 LEU HB3 . 26048 1 1281 . 1 1 149 149 LEU HG H 1 -0.003 0.020 . 1 . . . . 149 LEU HG . 26048 1 1282 . 1 1 149 149 LEU HD11 H 1 0.235 0.020 . 1 . . . . 149 LEU HD1 . 26048 1 1283 . 1 1 149 149 LEU HD12 H 1 0.235 0.020 . 1 . . . . 149 LEU HD1 . 26048 1 1284 . 1 1 149 149 LEU HD13 H 1 0.235 0.020 . 1 . . . . 149 LEU HD1 . 26048 1 1285 . 1 1 149 149 LEU C C 13 178.757 0.3 . 1 . . . . 149 LEU C . 26048 1 1286 . 1 1 149 149 LEU CA C 13 57.157 0.3 . 1 . . . . 149 LEU CA . 26048 1 1287 . 1 1 149 149 LEU CB C 13 40.253 0.3 . 1 . . . . 149 LEU CB . 26048 1 1288 . 1 1 149 149 LEU CG C 13 25.047 0.3 . 1 . . . . 149 LEU CG . 26048 1 1289 . 1 1 149 149 LEU CD1 C 13 21.712 0.3 . 1 . . . . 149 LEU CD1 . 26048 1 1290 . 1 1 149 149 LEU N N 15 116.861 0.3 . 1 . . . . 149 LEU N . 26048 1 1291 . 1 1 150 150 HIS H H 1 6.831 0.020 . 1 . . . . 150 HIS H . 26048 1 1292 . 1 1 150 150 HIS HA H 1 3.818 0.020 . 1 . . . . 150 HIS HA . 26048 1 1293 . 1 1 150 150 HIS HB2 H 1 2.729 0.020 . 2 . . . . 150 HIS HB2 . 26048 1 1294 . 1 1 150 150 HIS HB3 H 1 2.520 0.020 . 2 . . . . 150 HIS HB3 . 26048 1 1295 . 1 1 150 150 HIS C C 13 179.459 0.3 . 1 . . . . 150 HIS C . 26048 1 1296 . 1 1 150 150 HIS CA C 13 58.511 0.3 . 1 . . . . 150 HIS CA . 26048 1 1297 . 1 1 150 150 HIS CB C 13 28.852 0.3 . 1 . . . . 150 HIS CB . 26048 1 1298 . 1 1 150 150 HIS N N 15 117.256 0.3 . 1 . . . . 150 HIS N . 26048 1 1299 . 1 1 151 151 GLY H H 1 8.063 0.020 . 1 . . . . 151 GLY H . 26048 1 1300 . 1 1 151 151 GLY HA2 H 1 3.115 0.020 . 2 . . . . 151 GLY HA2 . 26048 1 1301 . 1 1 151 151 GLY HA3 H 1 2.601 0.020 . 2 . . . . 151 GLY HA3 . 26048 1 1302 . 1 1 151 151 GLY C C 13 176.063 0.3 . 1 . . . . 151 GLY C . 26048 1 1303 . 1 1 151 151 GLY CA C 13 46.663 0.3 . 1 . . . . 151 GLY CA . 26048 1 1304 . 1 1 151 151 GLY N N 15 107.398 0.3 . 1 . . . . 151 GLY N . 26048 1 1305 . 1 1 152 152 LEU H H 1 8.351 0.020 . 1 . . . . 152 LEU H . 26048 1 1306 . 1 1 152 152 LEU HA H 1 3.598 0.020 . 1 . . . . 152 LEU HA . 26048 1 1307 . 1 1 152 152 LEU HB2 H 1 1.623 0.020 . 2 . . . . 152 LEU HB2 . 26048 1 1308 . 1 1 152 152 LEU HB3 H 1 1.158 0.020 . 2 . . . . 152 LEU HB3 . 26048 1 1309 . 1 1 152 152 LEU HG H 1 1.749 0.020 . 1 . . . . 152 LEU HG . 26048 1 1310 . 1 1 152 152 LEU HD11 H 1 1.628 0.020 . 1 . . . . 152 LEU HD1 . 26048 1 1311 . 1 1 152 152 LEU HD12 H 1 1.628 0.020 . 1 . . . . 152 LEU HD1 . 26048 1 1312 . 1 1 152 152 LEU HD13 H 1 1.628 0.020 . 1 . . . . 152 LEU HD1 . 26048 1 1313 . 1 1 152 152 LEU HD21 H 1 1.269 0.020 . 1 . . . . 152 LEU HD2 . 26048 1 1314 . 1 1 152 152 LEU HD22 H 1 1.269 0.020 . 1 . . . . 152 LEU HD2 . 26048 1 1315 . 1 1 152 152 LEU HD23 H 1 1.269 0.020 . 1 . . . . 152 LEU HD2 . 26048 1 1316 . 1 1 152 152 LEU C C 13 178.709 0.3 . 1 . . . . 152 LEU C . 26048 1 1317 . 1 1 152 152 LEU CA C 13 57.101 0.3 . 1 . . . . 152 LEU CA . 26048 1 1318 . 1 1 152 152 LEU CB C 13 41.517 0.3 . 1 . . . . 152 LEU CB . 26048 1 1319 . 1 1 152 152 LEU CG C 13 32.519 0.3 . 1 . . . . 152 LEU CG . 26048 1 1320 . 1 1 152 152 LEU CD1 C 13 29.094 0.3 . 1 . . . . 152 LEU CD1 . 26048 1 1321 . 1 1 152 152 LEU CD2 C 13 24.053 0.3 . 1 . . . . 152 LEU CD2 . 26048 1 1322 . 1 1 152 152 LEU N N 15 124.848 0.3 . 1 . . . . 152 LEU N . 26048 1 1323 . 1 1 153 153 GLY H H 1 8.029 0.020 . 1 . . . . 153 GLY H . 26048 1 1324 . 1 1 153 153 GLY HA2 H 1 3.523 0.020 . 1 . . . . 153 GLY HA2 . 26048 1 1325 . 1 1 153 153 GLY HA3 H 1 3.523 0.020 . 1 . . . . 153 GLY HA3 . 26048 1 1326 . 1 1 153 153 GLY C C 13 175.603 0.3 . 1 . . . . 153 GLY C . 26048 1 1327 . 1 1 153 153 GLY CA C 13 48.258 0.3 . 1 . . . . 153 GLY CA . 26048 1 1328 . 1 1 153 153 GLY N N 15 107.479 0.3 . 1 . . . . 153 GLY N . 26048 1 1329 . 1 1 154 154 LYS H H 1 7.029 0.020 . 1 . . . . 154 LYS H . 26048 1 1330 . 1 1 154 154 LYS HA H 1 3.842 0.020 . 1 . . . . 154 LYS HA . 26048 1 1331 . 1 1 154 154 LYS HB2 H 1 1.529 0.020 . 2 . . . . 154 LYS HB2 . 26048 1 1332 . 1 1 154 154 LYS HB3 H 1 1.463 0.020 . 2 . . . . 154 LYS HB3 . 26048 1 1333 . 1 1 154 154 LYS HG2 H 1 1.051 0.020 . 1 . . . . 154 LYS HG2 . 26048 1 1334 . 1 1 154 154 LYS HG3 H 1 1.051 0.020 . 1 . . . . 154 LYS HG3 . 26048 1 1335 . 1 1 154 154 LYS HD2 H 1 1.282 0.020 . 2 . . . . 154 LYS HD2 . 26048 1 1336 . 1 1 154 154 LYS HD3 H 1 1.209 0.020 . 2 . . . . 154 LYS HD3 . 26048 1 1337 . 1 1 154 154 LYS HE2 H 1 2.583 0.020 . 2 . . . . 154 LYS HE2 . 26048 1 1338 . 1 1 154 154 LYS HE3 H 1 2.496 0.020 . 2 . . . . 154 LYS HE3 . 26048 1 1339 . 1 1 154 154 LYS C C 13 179.971 0.3 . 1 . . . . 154 LYS C . 26048 1 1340 . 1 1 154 154 LYS CA C 13 59.299 0.3 . 1 . . . . 154 LYS CA . 26048 1 1341 . 1 1 154 154 LYS CB C 13 31.687 0.3 . 1 . . . . 154 LYS CB . 26048 1 1342 . 1 1 154 154 LYS CG C 13 25.209 0.3 . 1 . . . . 154 LYS CG . 26048 1 1343 . 1 1 154 154 LYS CD C 13 28.815 0.3 . 1 . . . . 154 LYS CD . 26048 1 1344 . 1 1 154 154 LYS CE C 13 41.711 0.3 . 1 . . . . 154 LYS CE . 26048 1 1345 . 1 1 154 154 LYS N N 15 119.659 0.3 . 1 . . . . 154 LYS N . 26048 1 1346 . 1 1 155 155 ARG H H 1 7.541 0.020 . 1 . . . . 155 ARG H . 26048 1 1347 . 1 1 155 155 ARG HA H 1 3.583 0.020 . 1 . . . . 155 ARG HA . 26048 1 1348 . 1 1 155 155 ARG HB2 H 1 1.283 0.020 . 2 . . . . 155 ARG HB2 . 26048 1 1349 . 1 1 155 155 ARG HB3 H 1 1.137 0.020 . 2 . . . . 155 ARG HB3 . 26048 1 1350 . 1 1 155 155 ARG HG2 H 1 0.162 0.020 . 1 . . . . 155 ARG HG2 . 26048 1 1351 . 1 1 155 155 ARG HD2 H 1 2.615 0.020 . 1 . . . . 155 ARG HD2 . 26048 1 1352 . 1 1 155 155 ARG HD3 H 1 2.615 0.020 . 1 . . . . 155 ARG HD3 . 26048 1 1353 . 1 1 155 155 ARG C C 13 177.138 0.3 . 1 . . . . 155 ARG C . 26048 1 1354 . 1 1 155 155 ARG CA C 13 59.078 0.3 . 1 . . . . 155 ARG CA . 26048 1 1355 . 1 1 155 155 ARG CB C 13 28.785 0.3 . 1 . . . . 155 ARG CB . 26048 1 1356 . 1 1 155 155 ARG CG C 13 26.891 0.3 . 1 . . . . 155 ARG CG . 26048 1 1357 . 1 1 155 155 ARG CD C 13 42.818 0.3 . 1 . . . . 155 ARG CD . 26048 1 1358 . 1 1 155 155 ARG N N 15 121.494 0.3 . 1 . . . . 155 ARG N . 26048 1 1359 . 1 1 156 156 PHE H H 1 7.565 0.020 . 1 . . . . 156 PHE H . 26048 1 1360 . 1 1 156 156 PHE HA H 1 4.624 0.020 . 1 . . . . 156 PHE HA . 26048 1 1361 . 1 1 156 156 PHE HB2 H 1 3.816 0.020 . 2 . . . . 156 PHE HB2 . 26048 1 1362 . 1 1 156 156 PHE HB3 H 1 3.726 0.020 . 2 . . . . 156 PHE HB3 . 26048 1 1363 . 1 1 156 156 PHE C C 13 174.495 0.3 . 1 . . . . 156 PHE C . 26048 1 1364 . 1 1 156 156 PHE CA C 13 58.502 0.3 . 1 . . . . 156 PHE CA . 26048 1 1365 . 1 1 156 156 PHE CB C 13 38.722 0.3 . 1 . . . . 156 PHE CB . 26048 1 1366 . 1 1 156 156 PHE N N 15 113.436 0.3 . 1 . . . . 156 PHE N . 26048 1 1367 . 1 1 157 157 GLN H H 1 7.855 0.020 . 1 . . . . 157 GLN H . 26048 1 1368 . 1 1 157 157 GLN HA H 1 3.810 0.020 . 1 . . . . 157 GLN HA . 26048 1 1369 . 1 1 157 157 GLN HB2 H 1 2.149 0.020 . 1 . . . . 157 GLN HB2 . 26048 1 1370 . 1 1 157 157 GLN HB3 H 1 2.149 0.020 . 1 . . . . 157 GLN HB3 . 26048 1 1371 . 1 1 157 157 GLN HG2 H 1 2.217 0.020 . 1 . . . . 157 GLN HG2 . 26048 1 1372 . 1 1 157 157 GLN HG3 H 1 2.217 0.020 . 1 . . . . 157 GLN HG3 . 26048 1 1373 . 1 1 157 157 GLN C C 13 174.597 0.3 . 1 . . . . 157 GLN C . 26048 1 1374 . 1 1 157 157 GLN CA C 13 56.815 0.3 . 1 . . . . 157 GLN CA . 26048 1 1375 . 1 1 157 157 GLN CB C 13 26.538 0.3 . 1 . . . . 157 GLN CB . 26048 1 1376 . 1 1 157 157 GLN CG C 13 34.267 0.3 . 1 . . . . 157 GLN CG . 26048 1 1377 . 1 1 157 157 GLN N N 15 119.984 0.3 . 1 . . . . 157 GLN N . 26048 1 1378 . 1 1 158 158 THR H H 1 8.653 0.020 . 1 . . . . 158 THR H . 26048 1 1379 . 1 1 158 158 THR HA H 1 4.622 0.020 . 1 . . . . 158 THR HA . 26048 1 1380 . 1 1 158 158 THR HB H 1 3.716 0.020 . 1 . . . . 158 THR HB . 26048 1 1381 . 1 1 158 158 THR HG21 H 1 1.174 0.020 . 1 . . . . 158 THR HG2 . 26048 1 1382 . 1 1 158 158 THR HG22 H 1 1.174 0.020 . 1 . . . . 158 THR HG2 . 26048 1 1383 . 1 1 158 158 THR HG23 H 1 1.174 0.020 . 1 . . . . 158 THR HG2 . 26048 1 1384 . 1 1 158 158 THR C C 13 173.032 0.3 . 1 . . . . 158 THR C . 26048 1 1385 . 1 1 158 158 THR CA C 13 60.910 0.3 . 1 . . . . 158 THR CA . 26048 1 1386 . 1 1 158 158 THR CB C 13 72.098 0.3 . 1 . . . . 158 THR CB . 26048 1 1387 . 1 1 158 158 THR CG2 C 13 20.961 0.3 . 1 . . . . 158 THR CG2 . 26048 1 1388 . 1 1 158 158 THR N N 15 115.034 0.3 . 1 . . . . 158 THR N . 26048 1 1389 . 1 1 159 159 LYS H H 1 8.555 0.020 . 1 . . . . 159 LYS H . 26048 1 1390 . 1 1 159 159 LYS HA H 1 4.097 0.020 . 1 . . . . 159 LYS HA . 26048 1 1391 . 1 1 159 159 LYS HB2 H 1 1.683 0.020 . 1 . . . . 159 LYS HB2 . 26048 1 1392 . 1 1 159 159 LYS HB3 H 1 1.683 0.020 . 1 . . . . 159 LYS HB3 . 26048 1 1393 . 1 1 159 159 LYS HG2 H 1 1.359 0.020 . 2 . . . . 159 LYS HG2 . 26048 1 1394 . 1 1 159 159 LYS HG3 H 1 1.201 0.020 . 2 . . . . 159 LYS HG3 . 26048 1 1395 . 1 1 159 159 LYS HD2 H 1 1.533 0.020 . 1 . . . . 159 LYS HD2 . 26048 1 1396 . 1 1 159 159 LYS HD3 H 1 1.533 0.020 . 1 . . . . 159 LYS HD3 . 26048 1 1397 . 1 1 159 159 LYS HE2 H 1 2.822 0.020 . 1 . . . . 159 LYS HE2 . 26048 1 1398 . 1 1 159 159 LYS HE3 H 1 2.822 0.020 . 1 . . . . 159 LYS HE3 . 26048 1 1399 . 1 1 159 159 LYS C C 13 175.964 0.3 . 1 . . . . 159 LYS C . 26048 1 1400 . 1 1 159 159 LYS CA C 13 56.896 0.3 . 1 . . . . 159 LYS CA . 26048 1 1401 . 1 1 159 159 LYS CB C 13 32.391 0.3 . 1 . . . . 159 LYS CB . 26048 1 1402 . 1 1 159 159 LYS CG C 13 24.640 0.3 . 1 . . . . 159 LYS CG . 26048 1 1403 . 1 1 159 159 LYS CD C 13 29.023 0.3 . 1 . . . . 159 LYS CD . 26048 1 1404 . 1 1 159 159 LYS CE C 13 41.890 0.3 . 1 . . . . 159 LYS CE . 26048 1 1405 . 1 1 159 159 LYS N N 15 128.992 0.3 . 1 . . . . 159 LYS N . 26048 1 1406 . 1 1 160 160 VAL H H 1 8.022 0.020 . 1 . . . . 160 VAL H . 26048 1 1407 . 1 1 160 160 VAL HA H 1 4.967 0.020 . 1 . . . . 160 VAL HA . 26048 1 1408 . 1 1 160 160 VAL HB H 1 1.590 0.020 . 1 . . . . 160 VAL HB . 26048 1 1409 . 1 1 160 160 VAL HG11 H 1 0.549 0.020 . 1 . . . . 160 VAL HG1 . 26048 1 1410 . 1 1 160 160 VAL HG12 H 1 0.549 0.020 . 1 . . . . 160 VAL HG1 . 26048 1 1411 . 1 1 160 160 VAL HG13 H 1 0.549 0.020 . 1 . . . . 160 VAL HG1 . 26048 1 1412 . 1 1 160 160 VAL HG21 H 1 0.566 0.020 . 1 . . . . 160 VAL HG2 . 26048 1 1413 . 1 1 160 160 VAL HG22 H 1 0.566 0.020 . 1 . . . . 160 VAL HG2 . 26048 1 1414 . 1 1 160 160 VAL HG23 H 1 0.566 0.020 . 1 . . . . 160 VAL HG2 . 26048 1 1415 . 1 1 160 160 VAL C C 13 174.748 0.3 . 1 . . . . 160 VAL C . 26048 1 1416 . 1 1 160 160 VAL CA C 13 59.352 0.3 . 1 . . . . 160 VAL CA . 26048 1 1417 . 1 1 160 160 VAL CB C 13 35.342 0.3 . 1 . . . . 160 VAL CB . 26048 1 1418 . 1 1 160 160 VAL CG1 C 13 21.948 0.3 . 1 . . . . 160 VAL CG1 . 26048 1 1419 . 1 1 160 160 VAL CG2 C 13 19.712 0.3 . 1 . . . . 160 VAL CG2 . 26048 1 1420 . 1 1 160 160 VAL N N 15 119.144 0.3 . 1 . . . . 160 VAL N . 26048 1 1421 . 1 1 161 161 GLU H H 1 8.768 0.020 . 1 . . . . 161 GLU H . 26048 1 1422 . 1 1 161 161 GLU HA H 1 4.488 0.020 . 1 . . . . 161 GLU HA . 26048 1 1423 . 1 1 161 161 GLU HB2 H 1 1.863 0.020 . 2 . . . . 161 GLU HB2 . 26048 1 1424 . 1 1 161 161 GLU HB3 H 1 1.762 0.020 . 2 . . . . 161 GLU HB3 . 26048 1 1425 . 1 1 161 161 GLU HG2 H 1 2.055 0.020 . 2 . . . . 161 GLU HG2 . 26048 1 1426 . 1 1 161 161 GLU HG3 H 1 2.001 0.020 . 2 . . . . 161 GLU HG3 . 26048 1 1427 . 1 1 161 161 GLU C C 13 175.454 0.3 . 1 . . . . 161 GLU C . 26048 1 1428 . 1 1 161 161 GLU CA C 13 55.165 0.3 . 1 . . . . 161 GLU CA . 26048 1 1429 . 1 1 161 161 GLU CB C 13 31.852 0.3 . 1 . . . . 161 GLU CB . 26048 1 1430 . 1 1 161 161 GLU CG C 13 35.883 0.3 . 1 . . . . 161 GLU CG . 26048 1 1431 . 1 1 161 161 GLU N N 15 125.268 0.3 . 1 . . . . 161 GLU N . 26048 1 1432 . 1 1 162 162 VAL H H 1 8.823 0.020 . 1 . . . . 162 VAL H . 26048 1 1433 . 1 1 162 162 VAL HA H 1 4.906 0.020 . 1 . . . . 162 VAL HA . 26048 1 1434 . 1 1 162 162 VAL HB H 1 1.626 0.020 . 1 . . . . 162 VAL HB . 26048 1 1435 . 1 1 162 162 VAL HG11 H 1 0.569 0.020 . 1 . . . . 162 VAL HG1 . 26048 1 1436 . 1 1 162 162 VAL HG12 H 1 0.569 0.020 . 1 . . . . 162 VAL HG1 . 26048 1 1437 . 1 1 162 162 VAL HG13 H 1 0.569 0.020 . 1 . . . . 162 VAL HG1 . 26048 1 1438 . 1 1 162 162 VAL HG21 H 1 0.454 0.020 . 1 . . . . 162 VAL HG2 . 26048 1 1439 . 1 1 162 162 VAL HG22 H 1 0.454 0.020 . 1 . . . . 162 VAL HG2 . 26048 1 1440 . 1 1 162 162 VAL HG23 H 1 0.454 0.020 . 1 . . . . 162 VAL HG2 . 26048 1 1441 . 1 1 162 162 VAL C C 13 174.602 0.3 . 1 . . . . 162 VAL C . 26048 1 1442 . 1 1 162 162 VAL CA C 13 60.374 0.3 . 1 . . . . 162 VAL CA . 26048 1 1443 . 1 1 162 162 VAL CB C 13 33.930 0.3 . 1 . . . . 162 VAL CB . 26048 1 1444 . 1 1 162 162 VAL CG1 C 13 21.838 0.3 . 1 . . . . 162 VAL CG1 . 26048 1 1445 . 1 1 162 162 VAL CG2 C 13 21.003 0.3 . 1 . . . . 162 VAL CG2 . 26048 1 1446 . 1 1 162 162 VAL N N 15 126.447 0.3 . 1 . . . . 162 VAL N . 26048 1 1447 . 1 1 163 163 THR H H 1 8.726 0.020 . 1 . . . . 163 THR H . 26048 1 1448 . 1 1 163 163 THR HA H 1 4.348 0.020 . 1 . . . . 163 THR HA . 26048 1 1449 . 1 1 163 163 THR HB H 1 3.763 0.020 . 1 . . . . 163 THR HB . 26048 1 1450 . 1 1 163 163 THR HG21 H 1 0.995 0.020 . 1 . . . . 163 THR HG2 . 26048 1 1451 . 1 1 163 163 THR HG22 H 1 0.995 0.020 . 1 . . . . 163 THR HG2 . 26048 1 1452 . 1 1 163 163 THR HG23 H 1 0.995 0.020 . 1 . . . . 163 THR HG2 . 26048 1 1453 . 1 1 163 163 THR C C 13 172.779 0.3 . 1 . . . . 163 THR C . 26048 1 1454 . 1 1 163 163 THR CA C 13 60.623 0.3 . 1 . . . . 163 THR CA . 26048 1 1455 . 1 1 163 163 THR CB C 13 71.651 0.3 . 1 . . . . 163 THR CB . 26048 1 1456 . 1 1 163 163 THR CG2 C 13 21.137 0.3 . 1 . . . . 163 THR CG2 . 26048 1 1457 . 1 1 163 163 THR N N 15 122.299 0.3 . 1 . . . . 163 THR N . 26048 1 1458 . 1 1 164 164 GLN H H 1 9.235 0.020 . 1 . . . . 164 GLN H . 26048 1 1459 . 1 1 164 164 GLN HA H 1 4.068 0.020 . 1 . . . . 164 GLN HA . 26048 1 1460 . 1 1 164 164 GLN HB2 H 1 1.539 0.020 . 1 . . . . 164 GLN HB2 . 26048 1 1461 . 1 1 164 164 GLN HB3 H 1 1.539 0.020 . 1 . . . . 164 GLN HB3 . 26048 1 1462 . 1 1 164 164 GLN HG2 H 1 0.887 0.020 . 2 . . . . 164 GLN HG2 . 26048 1 1463 . 1 1 164 164 GLN HG3 H 1 0.427 0.020 . 2 . . . . 164 GLN HG3 . 26048 1 1464 . 1 1 164 164 GLN C C 13 174.436 0.3 . 1 . . . . 164 GLN C . 26048 1 1465 . 1 1 164 164 GLN CA C 13 56.215 0.3 . 1 . . . . 164 GLN CA . 26048 1 1466 . 1 1 164 164 GLN CB C 13 27.024 0.3 . 1 . . . . 164 GLN CB . 26048 1 1467 . 1 1 164 164 GLN CG C 13 31.757 0.3 . 1 . . . . 164 GLN CG . 26048 1 1468 . 1 1 164 164 GLN N N 15 129.651 0.3 . 1 . . . . 164 GLN N . 26048 1 1469 . 1 1 165 165 THR H H 1 8.224 0.020 . 1 . . . . 165 THR H . 26048 1 1470 . 1 1 165 165 THR HA H 1 4.179 0.020 . 1 . . . . 165 THR HA . 26048 1 1471 . 1 1 165 165 THR HB H 1 4.082 0.020 . 1 . . . . 165 THR HB . 26048 1 1472 . 1 1 165 165 THR HG21 H 1 0.896 0.020 . 1 . . . . 165 THR HG2 . 26048 1 1473 . 1 1 165 165 THR HG22 H 1 0.896 0.020 . 1 . . . . 165 THR HG2 . 26048 1 1474 . 1 1 165 165 THR HG23 H 1 0.896 0.020 . 1 . . . . 165 THR HG2 . 26048 1 1475 . 1 1 165 165 THR C C 13 174.466 0.3 . 1 . . . . 165 THR C . 26048 1 1476 . 1 1 165 165 THR CA C 13 61.525 0.3 . 1 . . . . 165 THR CA . 26048 1 1477 . 1 1 165 165 THR CB C 13 68.663 0.3 . 1 . . . . 165 THR CB . 26048 1 1478 . 1 1 165 165 THR CG2 C 13 21.900 0.3 . 1 . . . . 165 THR CG2 . 26048 1 1479 . 1 1 165 165 THR N N 15 117.030 0.3 . 1 . . . . 165 THR N . 26048 1 1480 . 1 1 166 166 ALA H H 1 7.081 0.020 . 1 . . . . 166 ALA H . 26048 1 1481 . 1 1 166 166 ALA HA H 1 4.686 0.020 . 1 . . . . 166 ALA HA . 26048 1 1482 . 1 1 166 166 ALA HB1 H 1 1.043 0.020 . 1 . . . . 166 ALA HB . 26048 1 1483 . 1 1 166 166 ALA HB2 H 1 1.043 0.020 . 1 . . . . 166 ALA HB . 26048 1 1484 . 1 1 166 166 ALA HB3 H 1 1.043 0.020 . 1 . . . . 166 ALA HB . 26048 1 1485 . 1 1 166 166 ALA C C 13 176.191 0.3 . 1 . . . . 166 ALA C . 26048 1 1486 . 1 1 166 166 ALA CA C 13 51.901 0.3 . 1 . . . . 166 ALA CA . 26048 1 1487 . 1 1 166 166 ALA CB C 13 22.091 0.3 . 1 . . . . 166 ALA CB . 26048 1 1488 . 1 1 166 166 ALA N N 15 123.614 0.3 . 1 . . . . 166 ALA N . 26048 1 1489 . 1 1 167 167 PHE H H 1 8.782 0.020 . 1 . . . . 167 PHE H . 26048 1 1490 . 1 1 167 167 PHE HA H 1 4.719 0.020 . 1 . . . . 167 PHE HA . 26048 1 1491 . 1 1 167 167 PHE HB2 H 1 2.962 0.020 . 2 . . . . 167 PHE HB2 . 26048 1 1492 . 1 1 167 167 PHE HB3 H 1 2.804 0.020 . 2 . . . . 167 PHE HB3 . 26048 1 1493 . 1 1 167 167 PHE C C 13 175.920 0.3 . 1 . . . . 167 PHE C . 26048 1 1494 . 1 1 167 167 PHE CA C 13 55.566 0.3 . 1 . . . . 167 PHE CA . 26048 1 1495 . 1 1 167 167 PHE CB C 13 40.588 0.3 . 1 . . . . 167 PHE CB . 26048 1 1496 . 1 1 167 167 PHE N N 15 121.877 0.3 . 1 . . . . 167 PHE N . 26048 1 1497 . 1 1 168 168 ARG H H 1 8.913 0.020 . 1 . . . . 168 ARG H . 26048 1 1498 . 1 1 168 168 ARG HA H 1 4.084 0.020 . 1 . . . . 168 ARG HA . 26048 1 1499 . 1 1 168 168 ARG HB2 H 1 1.751 0.020 . 2 . . . . 168 ARG HB2 . 26048 1 1500 . 1 1 168 168 ARG HB3 H 1 1.452 0.020 . 2 . . . . 168 ARG HB3 . 26048 1 1501 . 1 1 168 168 ARG HG2 H 1 1.539 0.020 . 1 . . . . 168 ARG HG2 . 26048 1 1502 . 1 1 168 168 ARG HG3 H 1 1.539 0.020 . 1 . . . . 168 ARG HG3 . 26048 1 1503 . 1 1 168 168 ARG HD2 H 1 3.103 0.020 . 1 . . . . 168 ARG HD2 . 26048 1 1504 . 1 1 168 168 ARG HD3 H 1 3.103 0.020 . 1 . . . . 168 ARG HD3 . 26048 1 1505 . 1 1 168 168 ARG C C 13 179.954 0.3 . 1 . . . . 168 ARG C . 26048 1 1506 . 1 1 168 168 ARG CA C 13 58.097 0.3 . 1 . . . . 168 ARG CA . 26048 1 1507 . 1 1 168 168 ARG CB C 13 30.677 0.3 . 1 . . . . 168 ARG CB . 26048 1 1508 . 1 1 168 168 ARG CG C 13 26.765 0.3 . 1 . . . . 168 ARG CG . 26048 1 1509 . 1 1 168 168 ARG CD C 13 43.575 0.3 . 1 . . . . 168 ARG CD . 26048 1 1510 . 1 1 168 168 ARG N N 15 128.915 0.3 . 1 . . . . 168 ARG N . 26048 1 1511 . 1 1 169 169 GLU H H 1 9.705 0.020 . 1 . . . . 169 GLU H . 26048 1 1512 . 1 1 169 169 GLU HA H 1 4.071 0.020 . 1 . . . . 169 GLU HA . 26048 1 1513 . 1 1 169 169 GLU HB2 H 1 1.945 0.020 . 2 . . . . 169 GLU HB2 . 26048 1 1514 . 1 1 169 169 GLU HB3 H 1 2.020 0.020 . 2 . . . . 169 GLU HB3 . 26048 1 1515 . 1 1 169 169 GLU HG2 H 1 2.282 0.020 . 2 . . . . 169 GLU HG2 . 26048 1 1516 . 1 1 169 169 GLU HG3 H 1 2.259 0.020 . 2 . . . . 169 GLU HG3 . 26048 1 1517 . 1 1 169 169 GLU C C 13 177.638 0.3 . 1 . . . . 169 GLU C . 26048 1 1518 . 1 1 169 169 GLU CA C 13 59.193 0.3 . 1 . . . . 169 GLU CA . 26048 1 1519 . 1 1 169 169 GLU CB C 13 29.620 0.3 . 1 . . . . 169 GLU CB . 26048 1 1520 . 1 1 169 169 GLU CG C 13 36.614 0.3 . 1 . . . . 169 GLU CG . 26048 1 1521 . 1 1 169 169 GLU N N 15 118.681 0.3 . 1 . . . . 169 GLU N . 26048 1 1522 . 1 1 170 170 THR H H 1 7.316 0.020 . 1 . . . . 170 THR H . 26048 1 1523 . 1 1 170 170 THR HA H 1 4.433 0.020 . 1 . . . . 170 THR HA . 26048 1 1524 . 1 1 170 170 THR HB H 1 4.098 0.020 . 1 . . . . 170 THR HB . 26048 1 1525 . 1 1 170 170 THR HG21 H 1 0.967 0.020 . 1 . . . . 170 THR HG2 . 26048 1 1526 . 1 1 170 170 THR HG22 H 1 0.967 0.020 . 1 . . . . 170 THR HG2 . 26048 1 1527 . 1 1 170 170 THR HG23 H 1 0.967 0.020 . 1 . . . . 170 THR HG2 . 26048 1 1528 . 1 1 170 170 THR C C 13 175.104 0.3 . 1 . . . . 170 THR C . 26048 1 1529 . 1 1 170 170 THR CA C 13 61.263 0.3 . 1 . . . . 170 THR CA . 26048 1 1530 . 1 1 170 170 THR CB C 13 68.551 0.3 . 1 . . . . 170 THR CB . 26048 1 1531 . 1 1 170 170 THR CG2 C 13 21.290 0.3 . 1 . . . . 170 THR CG2 . 26048 1 1532 . 1 1 170 170 THR N N 15 107.501 0.3 . 1 . . . . 170 THR N . 26048 1 1533 . 1 1 171 171 GLY H H 1 7.880 0.020 . 1 . . . . 171 GLY H . 26048 1 1534 . 1 1 171 171 GLY HA2 H 1 4.352 0.020 . 2 . . . . 171 GLY HA2 . 26048 1 1535 . 1 1 171 171 GLY HA3 H 1 3.590 0.020 . 2 . . . . 171 GLY HA3 . 26048 1 1536 . 1 1 171 171 GLY C C 13 175.055 0.3 . 1 . . . . 171 GLY C . 26048 1 1537 . 1 1 171 171 GLY CA C 13 45.014 0.3 . 1 . . . . 171 GLY CA . 26048 1 1538 . 1 1 171 171 GLY N N 15 108.311 0.3 . 1 . . . . 171 GLY N . 26048 1 1539 . 1 1 172 172 GLU H H 1 7.150 0.020 . 1 . . . . 172 GLU H . 26048 1 1540 . 1 1 172 172 GLU HA H 1 4.167 0.020 . 1 . . . . 172 GLU HA . 26048 1 1541 . 1 1 172 172 GLU HB2 H 1 1.958 0.020 . 2 . . . . 172 GLU HB2 . 26048 1 1542 . 1 1 172 172 GLU HB3 H 1 1.372 0.020 . 2 . . . . 172 GLU HB3 . 26048 1 1543 . 1 1 172 172 GLU HG2 H 1 2.189 0.020 . 2 . . . . 172 GLU HG2 . 26048 1 1544 . 1 1 172 172 GLU HG3 H 1 2.058 0.020 . 2 . . . . 172 GLU HG3 . 26048 1 1545 . 1 1 172 172 GLU C C 13 175.943 0.3 . 1 . . . . 172 GLU C . 26048 1 1546 . 1 1 172 172 GLU CA C 13 56.375 0.3 . 1 . . . . 172 GLU CA . 26048 1 1547 . 1 1 172 172 GLU CB C 13 29.134 0.3 . 1 . . . . 172 GLU CB . 26048 1 1548 . 1 1 172 172 GLU CG C 13 37.550 0.3 . 1 . . . . 172 GLU CG . 26048 1 1549 . 1 1 172 172 GLU N N 15 119.261 0.3 . 1 . . . . 172 GLU N . 26048 1 1550 . 1 1 173 173 ASP H H 1 8.509 0.020 . 1 . . . . 173 ASP H . 26048 1 1551 . 1 1 173 173 ASP HA H 1 4.026 0.020 . 1 . . . . 173 ASP HA . 26048 1 1552 . 1 1 173 173 ASP HB2 H 1 2.617 0.020 . 2 . . . . 173 ASP HB2 . 26048 1 1553 . 1 1 173 173 ASP HB3 H 1 2.462 0.020 . 2 . . . . 173 ASP HB3 . 26048 1 1554 . 1 1 173 173 ASP C C 13 175.945 0.3 . 1 . . . . 173 ASP C . 26048 1 1555 . 1 1 173 173 ASP CA C 13 57.735 0.3 . 1 . . . . 173 ASP CA . 26048 1 1556 . 1 1 173 173 ASP CB C 13 42.912 0.3 . 1 . . . . 173 ASP CB . 26048 1 1557 . 1 1 173 173 ASP N N 15 120.121 0.3 . 1 . . . . 173 ASP N . 26048 1 1558 . 1 1 174 174 HIS H H 1 7.366 0.020 . 1 . . . . 174 HIS H . 26048 1 1559 . 1 1 174 174 HIS HA H 1 4.353 0.020 . 1 . . . . 174 HIS HA . 26048 1 1560 . 1 1 174 174 HIS HB2 H 1 3.314 0.020 . 2 . . . . 174 HIS HB2 . 26048 1 1561 . 1 1 174 174 HIS HB3 H 1 3.131 0.020 . 2 . . . . 174 HIS HB3 . 26048 1 1562 . 1 1 174 174 HIS C C 13 171.660 0.3 . 1 . . . . 174 HIS C . 26048 1 1563 . 1 1 174 174 HIS CA C 13 54.911 0.3 . 1 . . . . 174 HIS CA . 26048 1 1564 . 1 1 174 174 HIS CB C 13 29.065 0.3 . 1 . . . . 174 HIS CB . 26048 1 1565 . 1 1 174 174 HIS N N 15 106.545 0.3 . 1 . . . . 174 HIS N . 26048 1 1566 . 1 1 175 175 ASP H H 1 8.107 0.020 . 1 . . . . 175 ASP H . 26048 1 1567 . 1 1 175 175 ASP HA H 1 4.324 0.020 . 1 . . . . 175 ASP HA . 26048 1 1568 . 1 1 175 175 ASP HB2 H 1 2.569 0.020 . 2 . . . . 175 ASP HB2 . 26048 1 1569 . 1 1 175 175 ASP HB3 H 1 2.087 0.020 . 2 . . . . 175 ASP HB3 . 26048 1 1570 . 1 1 175 175 ASP C C 13 174.911 0.3 . 1 . . . . 175 ASP C . 26048 1 1571 . 1 1 175 175 ASP CA C 13 54.709 0.3 . 1 . . . . 175 ASP CA . 26048 1 1572 . 1 1 175 175 ASP CB C 13 43.625 0.3 . 1 . . . . 175 ASP CB . 26048 1 1573 . 1 1 175 175 ASP N N 15 119.177 0.3 . 1 . . . . 175 ASP N . 26048 1 1574 . 1 1 176 176 ILE H H 1 6.995 0.020 . 1 . . . . 176 ILE H . 26048 1 1575 . 1 1 176 176 ILE HA H 1 4.684 0.020 . 1 . . . . 176 ILE HA . 26048 1 1576 . 1 1 176 176 ILE HB H 1 1.033 0.020 . 1 . . . . 176 ILE HB . 26048 1 1577 . 1 1 176 176 ILE HG12 H 1 0.141 0.020 . 1 . . . . 176 ILE HG12 . 26048 1 1578 . 1 1 176 176 ILE HG13 H 1 0.141 0.020 . 1 . . . . 176 ILE HG13 . 26048 1 1579 . 1 1 176 176 ILE HG21 H 1 0.168 0.020 . 1 . . . . 176 ILE HG2 . 26048 1 1580 . 1 1 176 176 ILE HG22 H 1 0.168 0.020 . 1 . . . . 176 ILE HG2 . 26048 1 1581 . 1 1 176 176 ILE HG23 H 1 0.168 0.020 . 1 . . . . 176 ILE HG2 . 26048 1 1582 . 1 1 176 176 ILE HD11 H 1 0.494 0.020 . 1 . . . . 176 ILE HD1 . 26048 1 1583 . 1 1 176 176 ILE HD12 H 1 0.494 0.020 . 1 . . . . 176 ILE HD1 . 26048 1 1584 . 1 1 176 176 ILE HD13 H 1 0.494 0.020 . 1 . . . . 176 ILE HD1 . 26048 1 1585 . 1 1 176 176 ILE C C 13 173.892 0.3 . 1 . . . . 176 ILE C . 26048 1 1586 . 1 1 176 176 ILE CA C 13 60.320 0.3 . 1 . . . . 176 ILE CA . 26048 1 1587 . 1 1 176 176 ILE CB C 13 40.021 0.3 . 1 . . . . 176 ILE CB . 26048 1 1588 . 1 1 176 176 ILE CG1 C 13 27.526 0.3 . 1 . . . . 176 ILE CG1 . 26048 1 1589 . 1 1 176 176 ILE CG2 C 13 16.582 0.3 . 1 . . . . 176 ILE CG2 . 26048 1 1590 . 1 1 176 176 ILE CD1 C 13 13.415 0.3 . 1 . . . . 176 ILE CD1 . 26048 1 1591 . 1 1 176 176 ILE N N 15 119.510 0.3 . 1 . . . . 176 ILE N . 26048 1 1592 . 1 1 177 177 PHE H H 1 9.011 0.020 . 1 . . . . 177 PHE H . 26048 1 1593 . 1 1 177 177 PHE HA H 1 4.793 0.020 . 1 . . . . 177 PHE HA . 26048 1 1594 . 1 1 177 177 PHE HB2 H 1 2.370 0.020 . 1 . . . . 177 PHE HB2 . 26048 1 1595 . 1 1 177 177 PHE HB3 H 1 2.370 0.020 . 1 . . . . 177 PHE HB3 . 26048 1 1596 . 1 1 177 177 PHE C C 13 174.090 0.3 . 1 . . . . 177 PHE C . 26048 1 1597 . 1 1 177 177 PHE CA C 13 55.764 0.3 . 1 . . . . 177 PHE CA . 26048 1 1598 . 1 1 177 177 PHE CB C 13 41.649 0.3 . 1 . . . . 177 PHE CB . 26048 1 1599 . 1 1 177 177 PHE N N 15 123.703 0.3 . 1 . . . . 177 PHE N . 26048 1 1600 . 1 1 178 178 SER H H 1 9.309 0.020 . 1 . . . . 178 SER H . 26048 1 1601 . 1 1 178 178 SER HA H 1 4.959 0.020 . 1 . . . . 178 SER HA . 26048 1 1602 . 1 1 178 178 SER HB2 H 1 3.736 0.020 . 1 . . . . 178 SER HB2 . 26048 1 1603 . 1 1 178 178 SER HB3 H 1 3.736 0.020 . 1 . . . . 178 SER HB3 . 26048 1 1604 . 1 1 178 178 SER C C 13 174.040 0.3 . 1 . . . . 178 SER C . 26048 1 1605 . 1 1 178 178 SER CA C 13 57.430 0.3 . 1 . . . . 178 SER CA . 26048 1 1606 . 1 1 178 178 SER CB C 13 63.623 0.3 . 1 . . . . 178 SER CB . 26048 1 1607 . 1 1 178 178 SER N N 15 119.473 0.3 . 1 . . . . 178 SER N . 26048 1 1608 . 1 1 179 179 ILE H H 1 9.094 0.020 . 1 . . . . 179 ILE H . 26048 1 1609 . 1 1 179 179 ILE HA H 1 4.785 0.020 . 1 . . . . 179 ILE HA . 26048 1 1610 . 1 1 179 179 ILE HB H 1 1.732 0.020 . 1 . . . . 179 ILE HB . 26048 1 1611 . 1 1 179 179 ILE HG12 H 1 0.774 0.020 . 1 . . . . 179 ILE HG12 . 26048 1 1612 . 1 1 179 179 ILE HG13 H 1 0.774 0.020 . 1 . . . . 179 ILE HG13 . 26048 1 1613 . 1 1 179 179 ILE HG21 H 1 0.685 0.020 . 1 . . . . 179 ILE HG2 . 26048 1 1614 . 1 1 179 179 ILE HG22 H 1 0.685 0.020 . 1 . . . . 179 ILE HG2 . 26048 1 1615 . 1 1 179 179 ILE HG23 H 1 0.685 0.020 . 1 . . . . 179 ILE HG2 . 26048 1 1616 . 1 1 179 179 ILE HD11 H 1 0.782 0.020 . 1 . . . . 179 ILE HD1 . 26048 1 1617 . 1 1 179 179 ILE HD12 H 1 0.782 0.020 . 1 . . . . 179 ILE HD1 . 26048 1 1618 . 1 1 179 179 ILE HD13 H 1 0.782 0.020 . 1 . . . . 179 ILE HD1 . 26048 1 1619 . 1 1 179 179 ILE C C 13 174.742 0.3 . 1 . . . . 179 ILE C . 26048 1 1620 . 1 1 179 179 ILE CA C 13 60.588 0.3 . 1 . . . . 179 ILE CA . 26048 1 1621 . 1 1 179 179 ILE CB C 13 41.355 0.3 . 1 . . . . 179 ILE CB . 26048 1 1622 . 1 1 179 179 ILE CG1 C 13 28.727 0.3 . 1 . . . . 179 ILE CG1 . 26048 1 1623 . 1 1 179 179 ILE CG2 C 13 18.453 0.3 . 1 . . . . 179 ILE CG2 . 26048 1 1624 . 1 1 179 179 ILE CD1 C 13 16.656 0.3 . 1 . . . . 179 ILE CD1 . 26048 1 1625 . 1 1 179 179 ILE N N 15 127.218 0.3 . 1 . . . . 179 ILE N . 26048 1 1626 . 1 1 180 180 LYS H H 1 8.783 0.020 . 1 . . . . 180 LYS H . 26048 1 1627 . 1 1 180 180 LYS HA H 1 5.035 0.020 . 1 . . . . 180 LYS HA . 26048 1 1628 . 1 1 180 180 LYS HB2 H 1 1.799 0.020 . 2 . . . . 180 LYS HB2 . 26048 1 1629 . 1 1 180 180 LYS HB3 H 1 1.615 0.020 . 2 . . . . 180 LYS HB3 . 26048 1 1630 . 1 1 180 180 LYS HG2 H 1 1.376 0.020 . 1 . . . . 180 LYS HG2 . 26048 1 1631 . 1 1 180 180 LYS HG3 H 1 1.376 0.020 . 1 . . . . 180 LYS HG3 . 26048 1 1632 . 1 1 180 180 LYS HD2 H 1 1.597 0.020 . 1 . . . . 180 LYS HD2 . 26048 1 1633 . 1 1 180 180 LYS HD3 H 1 1.597 0.020 . 1 . . . . 180 LYS HD3 . 26048 1 1634 . 1 1 180 180 LYS HE2 H 1 2.844 0.020 . 1 . . . . 180 LYS HE2 . 26048 1 1635 . 1 1 180 180 LYS HE3 H 1 2.844 0.020 . 1 . . . . 180 LYS HE3 . 26048 1 1636 . 1 1 180 180 LYS C C 13 175.514 0.3 . 1 . . . . 180 LYS C . 26048 1 1637 . 1 1 180 180 LYS CA C 13 54.933 0.3 . 1 . . . . 180 LYS CA . 26048 1 1638 . 1 1 180 180 LYS CB C 13 34.628 0.3 . 1 . . . . 180 LYS CB . 26048 1 1639 . 1 1 180 180 LYS CG C 13 24.738 0.3 . 1 . . . . 180 LYS CG . 26048 1 1640 . 1 1 180 180 LYS CD C 13 29.137 0.3 . 1 . . . . 180 LYS CD . 26048 1 1641 . 1 1 180 180 LYS CE C 13 41.787 0.3 . 1 . . . . 180 LYS CE . 26048 1 1642 . 1 1 180 180 LYS N N 15 128.448 0.3 . 1 . . . . 180 LYS N . 26048 1 1643 . 1 1 181 181 TYR H H 1 8.260 0.020 . 1 . . . . 181 TYR H . 26048 1 1644 . 1 1 181 181 TYR HA H 1 5.522 0.020 . 1 . . . . 181 TYR HA . 26048 1 1645 . 1 1 181 181 TYR HB2 H 1 2.867 0.020 . 2 . . . . 181 TYR HB2 . 26048 1 1646 . 1 1 181 181 TYR HB3 H 1 2.569 0.020 . 2 . . . . 181 TYR HB3 . 26048 1 1647 . 1 1 181 181 TYR C C 13 173.834 0.3 . 1 . . . . 181 TYR C . 26048 1 1648 . 1 1 181 181 TYR CA C 13 55.058 0.3 . 1 . . . . 181 TYR CA . 26048 1 1649 . 1 1 181 181 TYR CB C 13 40.537 0.3 . 1 . . . . 181 TYR CB . 26048 1 1650 . 1 1 181 181 TYR N N 15 121.939 0.3 . 1 . . . . 181 TYR N . 26048 1 1651 . 1 1 182 182 GLU H H 1 7.979 0.020 . 1 . . . . 182 GLU H . 26048 1 1652 . 1 1 182 182 GLU HA H 1 4.401 0.020 . 1 . . . . 182 GLU HA . 26048 1 1653 . 1 1 182 182 GLU HB2 H 1 2.057 0.020 . 2 . . . . 182 GLU HB2 . 26048 1 1654 . 1 1 182 182 GLU HB3 H 1 1.861 0.020 . 2 . . . . 182 GLU HB3 . 26048 1 1655 . 1 1 182 182 GLU HG2 H 1 2.173 0.020 . 1 . . . . 182 GLU HG2 . 26048 1 1656 . 1 1 182 182 GLU HG3 H 1 2.173 0.020 . 1 . . . . 182 GLU HG3 . 26048 1 1657 . 1 1 182 182 GLU C C 13 174.677 0.3 . 1 . . . . 182 GLU C . 26048 1 1658 . 1 1 182 182 GLU CA C 13 55.977 0.3 . 1 . . . . 182 GLU CA . 26048 1 1659 . 1 1 182 182 GLU CB C 13 32.257 0.3 . 1 . . . . 182 GLU CB . 26048 1 1660 . 1 1 182 182 GLU CG C 13 36.004 0.3 . 1 . . . . 182 GLU CG . 26048 1 1661 . 1 1 182 182 GLU N N 15 118.871 0.3 . 1 . . . . 182 GLU N . 26048 1 1662 . 1 1 183 183 ASP H H 1 8.228 0.020 . 1 . . . . 183 ASP H . 26048 1 1663 . 1 1 183 183 ASP HA H 1 4.488 0.020 . 1 . . . . 183 ASP HA . 26048 1 1664 . 1 1 183 183 ASP HB2 H 1 2.681 0.020 . 1 . . . . 183 ASP HB2 . 26048 1 1665 . 1 1 183 183 ASP HB3 H 1 2.681 0.020 . 1 . . . . 183 ASP HB3 . 26048 1 1666 . 1 1 183 183 ASP C C 13 180.962 0.3 . 1 . . . . 183 ASP C . 26048 1 1667 . 1 1 183 183 ASP CA C 13 55.701 0.3 . 1 . . . . 183 ASP CA . 26048 1 1668 . 1 1 183 183 ASP CB C 13 42.224 0.3 . 1 . . . . 183 ASP CB . 26048 1 1669 . 1 1 183 183 ASP N N 15 128.064 0.3 . 1 . . . . 183 ASP N . 26048 1 stop_ save_