data_15073 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15073 _Entry.Title ; NMR assignments of CO-bound ferrous Corynebacterium diphtheria Heme Oxygenase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-12 _Entry.Accession_date 2006-12-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kellie Hom . . . 15073 2 Rahul Deshmukh . . . 15073 3 Lena Furci . M. . 15073 4 Angela Wilks . . . 15073 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dept. of Pharmaceutical Sciences' . 15073 2 . 'School of Pharmacy, University of Maryland, Baltimore' . 15073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 15073 '15N chemical shifts' 163 15073 '1H chemical shifts' 163 15073 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-31 2006-12-12 update BMRB 'complete entry citation; add related entry' 15073 1 . . 2007-06-26 2006-12-12 original author 'original release' 15073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15070 'apo cd-HO-G135A' 15073 BMRB 15071 'apo Corynebacterium diptheriae heme oxygenase' 15073 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15073 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636825 _Citation.Full_citation . _Citation.Title 'NMR assignments of cd-HO, a 24 kDa heme oxygenase from Corynebacterium diphtheria' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 55 _Citation.Page_last 56 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kellie Hom . . . 15073 1 2 Rahul Deshmukh . . . 15073 1 3 Lena Furci . M. . 15073 1 4 Angela Wilks . . . 15073 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Corynebacterium diptheriae' 15073 1 'heme oxygenase' 15073 1 NMR 15073 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15073 _Assembly.ID 1 _Assembly.Name cdHO _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass 24138 _Assembly.Enzyme_commission_number . _Assembly.Details 'heme oxygenase with CO-bound ferrous heme' _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 'heme oxygenase' 1 $heme_oxygenase A . yes native no no . . . 15073 1 2 'ferrous heme' 2 $HEM A . no native no no . . . 15073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_heme_oxygenase _Entity.Sf_category entity _Entity.Sf_framecode heme_oxygenase _Entity.Entry_ID 15073 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name heme_oxygenase _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 ; MTTATAGLAVELKQSTAQAH EKAEHSTFMSDLLKGRLGVA EFTRLQEQAWLFYTALEQAV DAVRASGFAESLLDPALNRA EVLARDLDKLNGSSEWRSRI TASPAVIDYVNRLEEIRDNV DGPALVAHHYVRYLGDLSGG QVIARMMQRHYGVDPEALGF YHFEGIAKLKVYKDEYREKL NNLELSDEQREHLLKEATDA FVFNHQVFADLGKGL ; _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 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15070 . heme_oxygenase . . . . . 100.00 215 99.53 99.53 1.21e-153 . . . . 15073 1 2 no BMRB 15071 . cdHO . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 3 no PDB 1IW0 . "Crystal Structure Of A Heme Oxygenase (Hmuo) From Corynebacterium Diphtheriae Complexed With Heme In The Ferric State" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 4 no PDB 1IW1 . "Crystal Structure Of A Heme Oxygenase (Hmuo) From Corynebacterium Diphtheriae Complexed With Heme In The Ferrous State" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 5 no PDB 1V8X . "Crystal Structure Of The Dioxygen-Bound Heme Oxygenase From Corynebacterium Diphtheriae" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 6 no PDB 1WNV . "D136a Mutant Of Heme Oxygenase From Corynebacterium Diphtheriae (Hmuo)" . . . . . 100.00 215 99.53 99.53 2.47e-153 . . . . 15073 1 7 no PDB 1WNW . "D136n Mutant Of Heme Oxygenase From Corynebacterium Diphtheriae (hmuo)" . . . . . 100.00 215 99.53 100.00 8.46e-154 . . . . 15073 1 8 no PDB 1WNX . "D136e Mutant Of Heme Oxygenase From Corynebacterium Diphtheriae (Hmuo)" . . . . . 100.00 215 99.53 100.00 9.76e-154 . . . . 15073 1 9 no PDB 1WZD . "Crystal Structure Of An Artificial Metalloprotein: Fe(10-Ch2ch2cooh- Salophen)WILD TYPE HEME OXYGENASE" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 10 no PDB 1WZF . "Crystal Structure Of An Artificial Metalloprotein: Fe(10-Cooh- Salophen)WILD TYPE HEME OXYGENASE" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 11 no PDB 1WZG . "Crystal Structure Of An Artificial Metalloprotein: Fe(Salophen)WILD Type Heme Oxygenase" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 12 no PDB 2Z68 . "Crystal Structure Of An Artificial Metalloprotein: Cr[n- Salicylidene-4-Amino-3-Hydroxyhydrocinnamic Acid]WILD Type Heme Oxygen" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 13 no PDB 3I8R . "Crystal Structure Of The Heme Oxygenase From Corynebacterium Diphtheriae (Hmuo) In Complex With Heme Binding Ditiothreit" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 14 no PDB 3MOO . "Crystal Structure Of The Hmuo, Heme Oxygenase From Corynebacterium Diphtheriae, In Complex With Azide-Bound Verdoheme" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 15 no PDB 4GOH . "Structure Of The Substrate-free Hmuo, Ho From Corynebacterium Diphtheriae" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 16 no PDB 4GPC . "Structure Of The Biliverdin-hmuo, Heme Oxygenase From Corynebacterium Diphtheriae" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 17 no PDB 4GPF . "Structure Of The Fe3+-biliverdin-hmuo, Heme Oxygenase From Corynebacterium Diphtheriae (data Set Iii)" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 18 no PDB 4GPH . "Structure Of Hmuo, Heme Oxygenase From Corynebacterium Diphtheriae, In Complex With The Putative Reaction Intermediates Between" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 19 no DBJ BAA76407 . "Heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 20 no EMBL CAE50198 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 97.67 98.60 4.07e-150 . . . . 15073 1 21 no EMBL CKH06070 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 22 no GB AAC44832 . "HmuO [Corynebacterium diphtheriae]" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 23 no GB AEX42338 . "heme oxygenase [Corynebacterium diphtheriae 31A]" . . . . . 100.00 215 98.60 98.60 8.75e-152 . . . . 15073 1 24 no GB AEX44660 . "heme oxygenase [Corynebacterium diphtheriae 241]" . . . . . 100.00 215 98.14 99.07 3.21e-151 . . . . 15073 1 25 no GB AEX46855 . "heme oxygenase [Corynebacterium diphtheriae INCA 402]" . . . . . 100.00 215 98.60 99.53 1.17e-152 . . . . 15073 1 26 no GB AEX67845 . "heme oxygenase [Corynebacterium diphtheriae C7 (beta)]" . . . . . 100.00 215 100.00 100.00 1.75e-154 . . . . 15073 1 27 no REF WP_003852259 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 98.14 99.07 4.77e-151 . . . . 15073 1 28 no REF WP_010935240 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 97.67 98.60 4.07e-150 . . . . 15073 1 29 no REF WP_014302152 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 98.14 99.07 3.21e-151 . . . . 15073 1 30 no REF WP_014303664 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 98.60 99.53 1.17e-152 . . . . 15073 1 31 no REF WP_014307115 . "heme oxygenase [Corynebacterium diphtheriae]" . . . . . 100.00 215 99.07 99.07 1.70e-152 . . . . 15073 1 32 no SP P71119 . "RecName: Full=Heme oxygenase" . . . . . 100.00 215 97.67 98.60 4.07e-150 . . . . 15073 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15073 1 2 . THR . 15073 1 3 . THR . 15073 1 4 . ALA . 15073 1 5 . THR . 15073 1 6 . ALA . 15073 1 7 . GLY . 15073 1 8 . LEU . 15073 1 9 . ALA . 15073 1 10 . VAL . 15073 1 11 . GLU . 15073 1 12 . LEU . 15073 1 13 . LYS . 15073 1 14 . GLN . 15073 1 15 . SER . 15073 1 16 . THR . 15073 1 17 . ALA . 15073 1 18 . GLN . 15073 1 19 . ALA . 15073 1 20 . HIS . 15073 1 21 . GLU . 15073 1 22 . LYS . 15073 1 23 . ALA . 15073 1 24 . GLU . 15073 1 25 . HIS . 15073 1 26 . SER . 15073 1 27 . THR . 15073 1 28 . PHE . 15073 1 29 . MET . 15073 1 30 . SER . 15073 1 31 . ASP . 15073 1 32 . LEU . 15073 1 33 . LEU . 15073 1 34 . LYS . 15073 1 35 . GLY . 15073 1 36 . ARG . 15073 1 37 . LEU . 15073 1 38 . GLY . 15073 1 39 . VAL . 15073 1 40 . ALA . 15073 1 41 . GLU . 15073 1 42 . PHE . 15073 1 43 . THR . 15073 1 44 . ARG . 15073 1 45 . LEU . 15073 1 46 . GLN . 15073 1 47 . GLU . 15073 1 48 . GLN . 15073 1 49 . ALA . 15073 1 50 . TRP . 15073 1 51 . LEU . 15073 1 52 . PHE . 15073 1 53 . TYR . 15073 1 54 . THR . 15073 1 55 . ALA . 15073 1 56 . LEU . 15073 1 57 . GLU . 15073 1 58 . GLN . 15073 1 59 . ALA . 15073 1 60 . VAL . 15073 1 61 . ASP . 15073 1 62 . ALA . 15073 1 63 . VAL . 15073 1 64 . ARG . 15073 1 65 . ALA . 15073 1 66 . SER . 15073 1 67 . GLY . 15073 1 68 . PHE . 15073 1 69 . ALA . 15073 1 70 . GLU . 15073 1 71 . SER . 15073 1 72 . LEU . 15073 1 73 . LEU . 15073 1 74 . ASP . 15073 1 75 . PRO . 15073 1 76 . ALA . 15073 1 77 . LEU . 15073 1 78 . ASN . 15073 1 79 . ARG . 15073 1 80 . ALA . 15073 1 81 . GLU . 15073 1 82 . VAL . 15073 1 83 . LEU . 15073 1 84 . ALA . 15073 1 85 . ARG . 15073 1 86 . ASP . 15073 1 87 . LEU . 15073 1 88 . ASP . 15073 1 89 . LYS . 15073 1 90 . LEU . 15073 1 91 . ASN . 15073 1 92 . GLY . 15073 1 93 . SER . 15073 1 94 . SER . 15073 1 95 . GLU . 15073 1 96 . TRP . 15073 1 97 . ARG . 15073 1 98 . SER . 15073 1 99 . ARG . 15073 1 100 . ILE . 15073 1 101 . THR . 15073 1 102 . ALA . 15073 1 103 . SER . 15073 1 104 . PRO . 15073 1 105 . ALA . 15073 1 106 . VAL . 15073 1 107 . ILE . 15073 1 108 . ASP . 15073 1 109 . TYR . 15073 1 110 . VAL . 15073 1 111 . ASN . 15073 1 112 . ARG . 15073 1 113 . LEU . 15073 1 114 . GLU . 15073 1 115 . GLU . 15073 1 116 . ILE . 15073 1 117 . ARG . 15073 1 118 . ASP . 15073 1 119 . ASN . 15073 1 120 . VAL . 15073 1 121 . ASP . 15073 1 122 . GLY . 15073 1 123 . PRO . 15073 1 124 . ALA . 15073 1 125 . LEU . 15073 1 126 . VAL . 15073 1 127 . ALA . 15073 1 128 . HIS . 15073 1 129 . HIS . 15073 1 130 . TYR . 15073 1 131 . VAL . 15073 1 132 . ARG . 15073 1 133 . TYR . 15073 1 134 . LEU . 15073 1 135 . GLY . 15073 1 136 . ASP . 15073 1 137 . LEU . 15073 1 138 . SER . 15073 1 139 . GLY . 15073 1 140 . GLY . 15073 1 141 . GLN . 15073 1 142 . VAL . 15073 1 143 . ILE . 15073 1 144 . ALA . 15073 1 145 . ARG . 15073 1 146 . MET . 15073 1 147 . MET . 15073 1 148 . GLN . 15073 1 149 . ARG . 15073 1 150 . HIS . 15073 1 151 . TYR . 15073 1 152 . GLY . 15073 1 153 . VAL . 15073 1 154 . ASP . 15073 1 155 . PRO . 15073 1 156 . GLU . 15073 1 157 . ALA . 15073 1 158 . LEU . 15073 1 159 . GLY . 15073 1 160 . PHE . 15073 1 161 . TYR . 15073 1 162 . HIS . 15073 1 163 . PHE . 15073 1 164 . GLU . 15073 1 165 . GLY . 15073 1 166 . ILE . 15073 1 167 . ALA . 15073 1 168 . LYS . 15073 1 169 . LEU . 15073 1 170 . LYS . 15073 1 171 . VAL . 15073 1 172 . TYR . 15073 1 173 . LYS . 15073 1 174 . ASP . 15073 1 175 . GLU . 15073 1 176 . TYR . 15073 1 177 . ARG . 15073 1 178 . GLU . 15073 1 179 . LYS . 15073 1 180 . LEU . 15073 1 181 . ASN . 15073 1 182 . ASN . 15073 1 183 . LEU . 15073 1 184 . GLU . 15073 1 185 . LEU . 15073 1 186 . SER . 15073 1 187 . ASP . 15073 1 188 . GLU . 15073 1 189 . GLN . 15073 1 190 . ARG . 15073 1 191 . GLU . 15073 1 192 . HIS . 15073 1 193 . LEU . 15073 1 194 . LEU . 15073 1 195 . LYS . 15073 1 196 . GLU . 15073 1 197 . ALA . 15073 1 198 . THR . 15073 1 199 . ASP . 15073 1 200 . ALA . 15073 1 201 . PHE . 15073 1 202 . VAL . 15073 1 203 . PHE . 15073 1 204 . ASN . 15073 1 205 . HIS . 15073 1 206 . GLN . 15073 1 207 . VAL . 15073 1 208 . PHE . 15073 1 209 . ALA . 15073 1 210 . ASP . 15073 1 211 . LEU . 15073 1 212 . GLY . 15073 1 213 . LYS . 15073 1 214 . GLY . 15073 1 215 . LEU . 15073 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 15073 1 . THR 2 2 15073 1 . THR 3 3 15073 1 . ALA 4 4 15073 1 . THR 5 5 15073 1 . ALA 6 6 15073 1 . GLY 7 7 15073 1 . LEU 8 8 15073 1 . ALA 9 9 15073 1 . VAL 10 10 15073 1 . GLU 11 11 15073 1 . LEU 12 12 15073 1 . LYS 13 13 15073 1 . GLN 14 14 15073 1 . SER 15 15 15073 1 . THR 16 16 15073 1 . ALA 17 17 15073 1 . GLN 18 18 15073 1 . ALA 19 19 15073 1 . HIS 20 20 15073 1 . GLU 21 21 15073 1 . LYS 22 22 15073 1 . ALA 23 23 15073 1 . GLU 24 24 15073 1 . HIS 25 25 15073 1 . SER 26 26 15073 1 . THR 27 27 15073 1 . PHE 28 28 15073 1 . MET 29 29 15073 1 . SER 30 30 15073 1 . ASP 31 31 15073 1 . LEU 32 32 15073 1 . LEU 33 33 15073 1 . LYS 34 34 15073 1 . GLY 35 35 15073 1 . ARG 36 36 15073 1 . LEU 37 37 15073 1 . GLY 38 38 15073 1 . VAL 39 39 15073 1 . ALA 40 40 15073 1 . GLU 41 41 15073 1 . PHE 42 42 15073 1 . THR 43 43 15073 1 . ARG 44 44 15073 1 . LEU 45 45 15073 1 . GLN 46 46 15073 1 . GLU 47 47 15073 1 . GLN 48 48 15073 1 . ALA 49 49 15073 1 . TRP 50 50 15073 1 . LEU 51 51 15073 1 . PHE 52 52 15073 1 . TYR 53 53 15073 1 . THR 54 54 15073 1 . ALA 55 55 15073 1 . LEU 56 56 15073 1 . GLU 57 57 15073 1 . GLN 58 58 15073 1 . ALA 59 59 15073 1 . VAL 60 60 15073 1 . ASP 61 61 15073 1 . ALA 62 62 15073 1 . VAL 63 63 15073 1 . ARG 64 64 15073 1 . ALA 65 65 15073 1 . SER 66 66 15073 1 . GLY 67 67 15073 1 . PHE 68 68 15073 1 . ALA 69 69 15073 1 . GLU 70 70 15073 1 . SER 71 71 15073 1 . LEU 72 72 15073 1 . LEU 73 73 15073 1 . ASP 74 74 15073 1 . PRO 75 75 15073 1 . ALA 76 76 15073 1 . LEU 77 77 15073 1 . ASN 78 78 15073 1 . ARG 79 79 15073 1 . ALA 80 80 15073 1 . GLU 81 81 15073 1 . VAL 82 82 15073 1 . LEU 83 83 15073 1 . ALA 84 84 15073 1 . ARG 85 85 15073 1 . ASP 86 86 15073 1 . LEU 87 87 15073 1 . ASP 88 88 15073 1 . LYS 89 89 15073 1 . LEU 90 90 15073 1 . ASN 91 91 15073 1 . GLY 92 92 15073 1 . SER 93 93 15073 1 . SER 94 94 15073 1 . GLU 95 95 15073 1 . TRP 96 96 15073 1 . ARG 97 97 15073 1 . SER 98 98 15073 1 . ARG 99 99 15073 1 . ILE 100 100 15073 1 . THR 101 101 15073 1 . ALA 102 102 15073 1 . SER 103 103 15073 1 . PRO 104 104 15073 1 . ALA 105 105 15073 1 . VAL 106 106 15073 1 . ILE 107 107 15073 1 . ASP 108 108 15073 1 . TYR 109 109 15073 1 . VAL 110 110 15073 1 . ASN 111 111 15073 1 . ARG 112 112 15073 1 . LEU 113 113 15073 1 . GLU 114 114 15073 1 . GLU 115 115 15073 1 . ILE 116 116 15073 1 . ARG 117 117 15073 1 . ASP 118 118 15073 1 . ASN 119 119 15073 1 . VAL 120 120 15073 1 . ASP 121 121 15073 1 . GLY 122 122 15073 1 . PRO 123 123 15073 1 . ALA 124 124 15073 1 . LEU 125 125 15073 1 . VAL 126 126 15073 1 . ALA 127 127 15073 1 . HIS 128 128 15073 1 . HIS 129 129 15073 1 . TYR 130 130 15073 1 . VAL 131 131 15073 1 . ARG 132 132 15073 1 . TYR 133 133 15073 1 . LEU 134 134 15073 1 . GLY 135 135 15073 1 . ASP 136 136 15073 1 . LEU 137 137 15073 1 . SER 138 138 15073 1 . GLY 139 139 15073 1 . GLY 140 140 15073 1 . GLN 141 141 15073 1 . VAL 142 142 15073 1 . ILE 143 143 15073 1 . ALA 144 144 15073 1 . ARG 145 145 15073 1 . MET 146 146 15073 1 . MET 147 147 15073 1 . GLN 148 148 15073 1 . ARG 149 149 15073 1 . HIS 150 150 15073 1 . TYR 151 151 15073 1 . GLY 152 152 15073 1 . VAL 153 153 15073 1 . ASP 154 154 15073 1 . PRO 155 155 15073 1 . GLU 156 156 15073 1 . ALA 157 157 15073 1 . LEU 158 158 15073 1 . GLY 159 159 15073 1 . PHE 160 160 15073 1 . TYR 161 161 15073 1 . HIS 162 162 15073 1 . PHE 163 163 15073 1 . GLU 164 164 15073 1 . GLY 165 165 15073 1 . ILE 166 166 15073 1 . ALA 167 167 15073 1 . LYS 168 168 15073 1 . LEU 169 169 15073 1 . LYS 170 170 15073 1 . VAL 171 171 15073 1 . TYR 172 172 15073 1 . LYS 173 173 15073 1 . ASP 174 174 15073 1 . GLU 175 175 15073 1 . TYR 176 176 15073 1 . ARG 177 177 15073 1 . GLU 178 178 15073 1 . LYS 179 179 15073 1 . LEU 180 180 15073 1 . ASN 181 181 15073 1 . ASN 182 182 15073 1 . LEU 183 183 15073 1 . GLU 184 184 15073 1 . LEU 185 185 15073 1 . SER 186 186 15073 1 . ASP 187 187 15073 1 . GLU 188 188 15073 1 . GLN 189 189 15073 1 . ARG 190 190 15073 1 . GLU 191 191 15073 1 . HIS 192 192 15073 1 . LEU 193 193 15073 1 . LEU 194 194 15073 1 . LYS 195 195 15073 1 . GLU 196 196 15073 1 . ALA 197 197 15073 1 . THR 198 198 15073 1 . ASP 199 199 15073 1 . ALA 200 200 15073 1 . PHE 201 201 15073 1 . VAL 202 202 15073 1 . PHE 203 203 15073 1 . ASN 204 204 15073 1 . HIS 205 205 15073 1 . GLN 206 206 15073 1 . VAL 207 207 15073 1 . PHE 208 208 15073 1 . ALA 209 209 15073 1 . ASP 210 210 15073 1 . LEU 211 211 15073 1 . GLY 212 212 15073 1 . LYS 213 213 15073 1 . GLY 214 214 15073 1 . LEU 215 215 15073 1 stop_ save_ save_HEM _Entity.Sf_category entity _Entity.Sf_framecode HEM _Entity.Entry_ID 15073 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HEM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HEM . 15073 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 15073 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $heme_oxygenase . 1717 organism . 'Corynebacterium diphtheria' 'Corynebacterium diphtheria' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . . . . . . . . . 15073 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 15073 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $heme_oxygenase . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET21a . . . . . . 15073 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 15073 _Chem_comp.ID HEM _Chem_comp.Provenance . _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2009-08-11 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 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 . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code 3IA3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:46:19 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 15073 HEM Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES 'OpenEye OEToolkits' 1.7.0 15073 HEM Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES CACTVS 3.352 15073 HEM Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES_CANONICAL CACTVS 3.352 15073 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 15073 HEM InChI=1S/C34H34N4O4/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/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- InChI InChI 1.02 15073 HEM O=C(O)CCc5c(c2nc5cc1nc(C(=C1CCC(=O)O)C)cc4c(c(c(cc3nc(c2)C(=C3\C=C)C)n4)C)\C=C)C SMILES ACDLabs 11.02 15073 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 '3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid' 'SYSTEMATIC NAME' ACDLabs 11.02 15073 HEM '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 15073 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 . . C . . N 0 . . . . yes no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 15073 HEM CHB . CHB . . C . . N 0 . . . . yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 15073 HEM CHC . CHC . . C . . N 0 . . . . yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 15073 HEM CHD . CHD . . C . . N 0 . . . . yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 15073 HEM C1A . C1A . . C . . N 0 . . . . yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 15073 HEM C2A . C2A . . C . . N 0 . . . . yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 15073 HEM C3A . C3A . . C . . N 0 . . . . yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 15073 HEM C4A . C4A . . C . . N 0 . . . . yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 15073 HEM CMA . CMA . . C . . N 0 . . . . no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 15073 HEM CAA . CAA . . C . . N 0 . . . . no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 15073 HEM CBA . CBA . . C . . N 0 . . . . no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 15073 HEM CGA . CGA . . C . . N 0 . . . . no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 15073 HEM O1A . O1A . . O . . N 0 . . . . no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 15073 HEM O2A . O2A . . O . . N 0 . . . . no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 15073 HEM C1B . C1B . . C . . N 0 . . . . yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 15073 HEM C2B . C2B . . C . . N 0 . . . . yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 15073 HEM C3B . C3B . . C . . N 0 . . . . yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 15073 HEM C4B . C4B . . C . . N 0 . . . . yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 15073 HEM CMB . CMB . . C . . N 0 . . . . no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 15073 HEM CAB . CAB . . C . . N 0 . . . . no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 15073 HEM CBB . CBB . . C . . N 0 . . . . no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 15073 HEM C1C . C1C . . C . . N 0 . . . . yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 15073 HEM C2C . C2C . . C . . N 0 . . . . yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 15073 HEM C3C . C3C . . C . . N 0 . . . . yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 15073 HEM C4C . C4C . . C . . N 0 . . . . yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 15073 HEM CMC . CMC . . C . . N 0 . . . . no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 15073 HEM CAC . CAC . . C . . N 0 . . . . no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 15073 HEM CBC . CBC . . C . . N 0 . . . . no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 15073 HEM C1D . C1D . . C . . N 0 . . . . yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 15073 HEM C2D . C2D . . C . . N 0 . . . . yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 15073 HEM C3D . C3D . . C . . N 0 . . . . yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 15073 HEM C4D . C4D . . C . . N 0 . . . . yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 15073 HEM CMD . CMD . . C . . N 0 . . . . no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 15073 HEM CAD . CAD . . C . . N 0 . . . . no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 15073 HEM CBD . CBD . . C . . N 0 . . . . no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 15073 HEM CGD . CGD . . C . . N 0 . . . . no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 15073 HEM O1D . O1D . . O . . N 0 . . . . no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 15073 HEM O2D . O2D . . O . . N 0 . . . . no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 15073 HEM NA . NA . . N . . N 0 . . . . yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 15073 HEM NB . NB . . N . . N 0 . . . . yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 15073 HEM NC . NC . . N . . N 0 . . . . yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 15073 HEM ND . ND . . N . . N 0 . . . . yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 15073 HEM FE . FE . . FE . . S 0 . . . . no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 15073 HEM HHB . HHB . . H . . N 0 . . . . no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 15073 HEM HHC . HHC . . H . . N 0 . . . . no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 15073 HEM HHD . HHD . . H . . N 0 . . . . no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 15073 HEM HMA . HMA . . H . . N 0 . . . . no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 15073 HEM HMAA . HMAA . . H . . N 0 . . . . no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 15073 HEM HMAB . HMAB . . H . . N 0 . . . . no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 15073 HEM HAA . HAA . . H . . N 0 . . . . no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 15073 HEM HAAA . HAAA . . H . . N 0 . . . . no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 15073 HEM HBA . HBA . . H . . N 0 . . . . no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 15073 HEM HBAA . HBAA . . H . . N 0 . . . . no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 15073 HEM HMB . HMB . . H . . N 0 . . . . no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 15073 HEM HMBA . HMBA . . H . . N 0 . . . . no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 15073 HEM HMBB . HMBB . . H . . N 0 . . . . no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 15073 HEM HAB . HAB . . H . . N 0 . . . . no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 15073 HEM HBB . HBB . . H . . N 0 . . . . no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 15073 HEM HBBA . HBBA . . H . . N 0 . . . . no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 15073 HEM HMC . HMC . . H . . N 0 . . . . no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 15073 HEM HMCA . HMCA . . H . . N 0 . . . . no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 15073 HEM HMCB . HMCB . . H . . N 0 . . . . no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 15073 HEM HAC . HAC . . H . . N 0 . . . . no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 15073 HEM HBC . HBC . . H . . N 0 . . . . no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 15073 HEM HBCA . HBCA . . H . . N 0 . . . . no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 15073 HEM HMD . HMD . . H . . N 0 . . . . no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 15073 HEM HMDA . HMDA . . H . . N 0 . . . . no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 15073 HEM HMDB . HMDB . . H . . N 0 . . . . no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 15073 HEM HAD . HAD . . H . . N 0 . . . . no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 15073 HEM HADA . HADA . . H . . N 0 . . . . no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 15073 HEM HBD . HBD . . H . . N 0 . . . . no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 15073 HEM HBDA . HBDA . . H . . N 0 . . . . no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 15073 HEM H2A . H2A . . H . . N 0 . . . . no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 15073 HEM H2D . H2D . . H . . N 0 . . . . no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 15073 HEM HHA . HHA . . H . . N 0 . . . . no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 15073 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 yes N 1 . 15073 HEM 2 . DOUB CHA C4D yes N 2 . 15073 HEM 3 . SING CHA HHA no N 3 . 15073 HEM 4 . SING CHB C4A yes N 4 . 15073 HEM 5 . DOUB CHB C1B yes N 5 . 15073 HEM 6 . SING CHB HHB no N 6 . 15073 HEM 7 . SING CHC C4B yes N 7 . 15073 HEM 8 . DOUB CHC C1C yes N 8 . 15073 HEM 9 . SING CHC HHC no N 9 . 15073 HEM 10 . DOUB CHD C4C yes N 10 . 15073 HEM 11 . SING CHD C1D yes N 11 . 15073 HEM 12 . SING CHD HHD no N 12 . 15073 HEM 13 . DOUB C1A C2A yes N 13 . 15073 HEM 14 . SING C1A NA yes N 14 . 15073 HEM 15 . SING C2A C3A yes N 15 . 15073 HEM 16 . SING C2A CAA no N 16 . 15073 HEM 17 . DOUB C3A C4A yes N 17 . 15073 HEM 18 . SING C3A CMA no N 18 . 15073 HEM 19 . SING C4A NA yes N 19 . 15073 HEM 20 . SING CMA HMA no N 20 . 15073 HEM 21 . SING CMA HMAA no N 21 . 15073 HEM 22 . SING CMA HMAB no N 22 . 15073 HEM 23 . SING CAA CBA no N 23 . 15073 HEM 24 . SING CAA HAA no N 24 . 15073 HEM 25 . SING CAA HAAA no N 25 . 15073 HEM 26 . SING CBA CGA no N 26 . 15073 HEM 27 . SING CBA HBA no N 27 . 15073 HEM 28 . SING CBA HBAA no N 28 . 15073 HEM 29 . DOUB CGA O1A no N 29 . 15073 HEM 30 . SING CGA O2A no N 30 . 15073 HEM 31 . SING C1B C2B no N 31 . 15073 HEM 32 . SING C1B NB yes N 32 . 15073 HEM 33 . DOUB C2B C3B yes N 33 . 15073 HEM 34 . SING C2B CMB yes N 34 . 15073 HEM 35 . SING C3B C4B no N 35 . 15073 HEM 36 . SING C3B CAB yes N 36 . 15073 HEM 37 . DOUB C4B NB no N 37 . 15073 HEM 38 . SING CMB HMB yes N 38 . 15073 HEM 39 . SING CMB HMBA no N 39 . 15073 HEM 40 . SING CMB HMBB no N 40 . 15073 HEM 41 . DOUB CAB CBB no N 41 . 15073 HEM 42 . SING CAB HAB no N 42 . 15073 HEM 43 . SING CBB HBB no N 43 . 15073 HEM 44 . SING CBB HBBA no N 44 . 15073 HEM 45 . SING C1C C2C no N 45 . 15073 HEM 46 . SING C1C NC yes N 46 . 15073 HEM 47 . DOUB C2C C3C yes N 47 . 15073 HEM 48 . SING C2C CMC yes N 48 . 15073 HEM 49 . SING C3C C4C no N 49 . 15073 HEM 50 . SING C3C CAC yes N 50 . 15073 HEM 51 . SING C4C NC no N 51 . 15073 HEM 52 . SING CMC HMC yes N 52 . 15073 HEM 53 . SING CMC HMCA no N 53 . 15073 HEM 54 . SING CMC HMCB no N 54 . 15073 HEM 55 . DOUB CAC CBC no N 55 . 15073 HEM 56 . SING CAC HAC no N 56 . 15073 HEM 57 . SING CBC HBC no N 57 . 15073 HEM 58 . SING CBC HBCA no N 58 . 15073 HEM 59 . SING C1D C2D no N 59 . 15073 HEM 60 . DOUB C1D ND yes N 60 . 15073 HEM 61 . DOUB C2D C3D yes N 61 . 15073 HEM 62 . SING C2D CMD yes N 62 . 15073 HEM 63 . SING C3D C4D no N 63 . 15073 HEM 64 . SING C3D CAD yes N 64 . 15073 HEM 65 . SING C4D ND no N 65 . 15073 HEM 66 . SING CMD HMD yes N 66 . 15073 HEM 67 . SING CMD HMDA no N 67 . 15073 HEM 68 . SING CMD HMDB no N 68 . 15073 HEM 69 . SING CAD CBD no N 69 . 15073 HEM 70 . SING CAD HAD no N 70 . 15073 HEM 71 . SING CAD HADA no N 71 . 15073 HEM 72 . SING CBD CGD no N 72 . 15073 HEM 73 . SING CBD HBD no N 73 . 15073 HEM 74 . SING CBD HBDA no N 74 . 15073 HEM 75 . DOUB CGD O1D no N 75 . 15073 HEM 76 . SING CGD O2D no N 76 . 15073 HEM 77 . SING O2A H2A no N 77 . 15073 HEM 78 . SING O2D H2D no N 78 . 15073 HEM 79 . SING FE NA no N 79 . 15073 HEM 80 . SING FE NB no N 80 . 15073 HEM 81 . SING FE NC no N 81 . 15073 HEM 82 . SING FE ND no N 82 . 15073 HEM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15073 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'heme oxygenase' '[U-13C; U-15N]' . . 1 $heme_oxygenase . . . 1 2 mM . . . . 15073 1 2 'PROTOPORPHYRIN IX CONTAINING FE' 'natural abundance' . . 2 $HEM . . . 1 2 mM . . . . 15073 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15073 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 15073 1 5 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15073 1 6 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15073 1 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 15073 1 8 CO 'natural abundance' . . . . . . . 1 2 mM . . . . 15073 1 9 'sodium dithionite' 'natural abundance' . . . . . . . 2 5 mM . . . . 15073 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15073 _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' 100 . mM 15073 1 pH 7 . pH 15073 1 pressure 1 . atm 15073 1 temperature 298 . K 15073 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15073 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15073 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15073 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15073 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15073 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15073 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 15073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15073 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 15073 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 15073 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15073 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 15073 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15073 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15073 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15073 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 15073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15073 1 2 '3D CBCA(CO)NH' . . . 15073 1 3 '3D HNCA' . . . 15073 1 4 '3D HNCO' . . . 15073 1 5 '3D HNCACB' . . . 15073 1 6 '3D HN(CO)CA' . . . 15073 1 7 '3D 1H-15N NOESY' . . . 15073 1 8 '3D HN(CA)CO' . . . 15073 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ALA C C 13 176.9 0.2 . 1 . . . . 4 ALA C . 15073 1 2 . 1 1 4 4 ALA CA C 13 50.13 0.2 . 1 . . . . 4 ALA CA . 15073 1 3 . 1 1 4 4 ALA CB C 13 16.83 0.2 . 1 . . . . 4 ALA CB . 15073 1 4 . 1 1 5 5 THR H H 1 8.224 0.02 . 1 . . . . 5 THR H . 15073 1 5 . 1 1 5 5 THR C C 13 173.2 0.2 . 1 . . . . 5 THR C . 15073 1 6 . 1 1 5 5 THR CA C 13 59.20 0.2 . 1 . . . . 5 THR CA . 15073 1 7 . 1 1 5 5 THR CB C 13 67.14 0.2 . 1 . . . . 5 THR CB . 15073 1 8 . 1 1 5 5 THR N N 15 113.7 0.2 . 1 . . . . 5 THR N . 15073 1 9 . 1 1 6 6 ALA H H 1 8.329 0.02 . 1 . . . . 6 ALA H . 15073 1 10 . 1 1 6 6 ALA C C 13 176.5 0.2 . 1 . . . . 6 ALA C . 15073 1 11 . 1 1 6 6 ALA CA C 13 49.56 0.2 . 1 . . . . 6 ALA CA . 15073 1 12 . 1 1 6 6 ALA CB C 13 17.60 0.2 . 1 . . . . 6 ALA CB . 15073 1 13 . 1 1 6 6 ALA N N 15 126.6 0.2 . 1 . . . . 6 ALA N . 15073 1 14 . 1 1 7 7 GLY H H 1 8.414 0.02 . 1 . . . . 7 GLY H . 15073 1 15 . 1 1 7 7 GLY C C 13 173.6 0.2 . 1 . . . . 7 GLY C . 15073 1 16 . 1 1 7 7 GLY CA C 13 42.30 0.2 . 1 . . . . 7 GLY CA . 15073 1 17 . 1 1 7 7 GLY N N 15 108.4 0.2 . 1 . . . . 7 GLY N . 15073 1 18 . 1 1 8 8 LEU H H 1 8.615 0.02 . 1 . . . . 8 LEU H . 15073 1 19 . 1 1 8 8 LEU C C 13 176.8 0.2 . 1 . . . . 8 LEU C . 15073 1 20 . 1 1 8 8 LEU CA C 13 55.70 0.2 . 1 . . . . 8 LEU CA . 15073 1 21 . 1 1 8 8 LEU N N 15 125.0 0.2 . 1 . . . . 8 LEU N . 15073 1 22 . 1 1 9 9 ALA H H 1 9.128 0.02 . 1 . . . . 9 ALA H . 15073 1 23 . 1 1 9 9 ALA C C 13 179.7 0.2 . 1 . . . . 9 ALA C . 15073 1 24 . 1 1 9 9 ALA CA C 13 53.82 0.2 . 1 . . . . 9 ALA CA . 15073 1 25 . 1 1 9 9 ALA CB C 13 15.79 0.2 . 1 . . . . 9 ALA CB . 15073 1 26 . 1 1 9 9 ALA N N 15 117.7 0.2 . 1 . . . . 9 ALA N . 15073 1 27 . 1 1 10 10 VAL H H 1 7.622 0.02 . 1 . . . . 10 VAL H . 15073 1 28 . 1 1 10 10 VAL C C 13 178.9 0.2 . 1 . . . . 10 VAL C . 15073 1 29 . 1 1 10 10 VAL CA C 13 62.90 0.2 . 1 . . . . 10 VAL CA . 15073 1 30 . 1 1 10 10 VAL CB C 13 29.69 0.2 . 1 . . . . 10 VAL CB . 15073 1 31 . 1 1 10 10 VAL N N 15 119.0 0.2 . 1 . . . . 10 VAL N . 15073 1 32 . 1 1 11 11 GLU H H 1 8.204 0.02 . 1 . . . . 11 GLU H . 15073 1 33 . 1 1 11 11 GLU C C 13 179.8 0.2 . 1 . . . . 11 GLU C . 15073 1 34 . 1 1 11 11 GLU CA C 13 57.24 0.2 . 1 . . . . 11 GLU CA . 15073 1 35 . 1 1 11 11 GLU CB C 13 27.36 0.2 . 1 . . . . 11 GLU CB . 15073 1 36 . 1 1 11 11 GLU N N 15 121.7 0.2 . 1 . . . . 11 GLU N . 15073 1 37 . 1 1 12 12 LEU H H 1 8.975 0.02 . 1 . . . . 12 LEU H . 15073 1 38 . 1 1 12 12 LEU C C 13 177.3 0.2 . 1 . . . . 12 LEU C . 15073 1 39 . 1 1 12 12 LEU CA C 13 56.18 0.2 . 1 . . . . 12 LEU CA . 15073 1 40 . 1 1 12 12 LEU CB C 13 39.39 0.2 . 1 . . . . 12 LEU CB . 15073 1 41 . 1 1 12 12 LEU N N 15 122.0 0.2 . 1 . . . . 12 LEU N . 15073 1 42 . 1 1 13 13 LYS H H 1 7.222 0.02 . 1 . . . . 13 LYS H . 15073 1 43 . 1 1 13 13 LYS C C 13 177.9 0.2 . 1 . . . . 13 LYS C . 15073 1 44 . 1 1 13 13 LYS CA C 13 57.04 0.2 . 1 . . . . 13 LYS CA . 15073 1 45 . 1 1 13 13 LYS CB C 13 30.12 0.2 . 1 . . . . 13 LYS CB . 15073 1 46 . 1 1 13 13 LYS N N 15 121.9 0.2 . 1 . . . . 13 LYS N . 15073 1 47 . 1 1 14 14 GLN H H 1 8.561 0.02 . 1 . . . . 14 GLN H . 15073 1 48 . 1 1 14 14 GLN C C 13 178.9 0.2 . 1 . . . . 14 GLN C . 15073 1 49 . 1 1 14 14 GLN CA C 13 56.16 0.2 . 1 . . . . 14 GLN CA . 15073 1 50 . 1 1 14 14 GLN CB C 13 26.00 0.2 . 1 . . . . 14 GLN CB . 15073 1 51 . 1 1 14 14 GLN N N 15 115.9 0.2 . 1 . . . . 14 GLN N . 15073 1 52 . 1 1 15 15 SER H H 1 8.681 0.02 . 1 . . . . 15 SER H . 15073 1 53 . 1 1 15 15 SER C C 13 175.1 0.2 . 1 . . . . 15 SER C . 15073 1 54 . 1 1 15 15 SER CA C 13 58.79 0.2 . 1 . . . . 15 SER CA . 15073 1 55 . 1 1 15 15 SER CB C 13 60.92 0.2 . 1 . . . . 15 SER CB . 15073 1 56 . 1 1 15 15 SER N N 15 114.2 0.2 . 1 . . . . 15 SER N . 15073 1 57 . 1 1 16 16 THR H H 1 7.315 0.02 . 1 . . . . 16 THR H . 15073 1 58 . 1 1 16 16 THR C C 13 173.3 0.2 . 1 . . . . 16 THR C . 15073 1 59 . 1 1 16 16 THR CA C 13 58.62 0.2 . 1 . . . . 16 THR CA . 15073 1 60 . 1 1 16 16 THR CB C 13 66.94 0.2 . 1 . . . . 16 THR CB . 15073 1 61 . 1 1 16 16 THR N N 15 107.4 0.2 . 1 . . . . 16 THR N . 15073 1 62 . 1 1 17 17 ALA H H 1 6.924 0.02 . 1 . . . . 17 ALA H . 15073 1 63 . 1 1 17 17 ALA C C 13 179.6 0.2 . 1 . . . . 17 ALA C . 15073 1 64 . 1 1 17 17 ALA CA C 13 53.23 0.2 . 1 . . . . 17 ALA CA . 15073 1 65 . 1 1 17 17 ALA CB C 13 15.26 0.2 . 1 . . . . 17 ALA CB . 15073 1 66 . 1 1 17 17 ALA N N 15 126.4 0.2 . 1 . . . . 17 ALA N . 15073 1 67 . 1 1 18 18 GLN H H 1 8.300 0.02 . 1 . . . . 18 GLN H . 15073 1 68 . 1 1 18 18 GLN C C 13 177.3 0.2 . 1 . . . . 18 GLN C . 15073 1 69 . 1 1 18 18 GLN CA C 13 56.22 0.2 . 1 . . . . 18 GLN CA . 15073 1 70 . 1 1 18 18 GLN CB C 13 25.04 0.2 . 1 . . . . 18 GLN CB . 15073 1 71 . 1 1 18 18 GLN N N 15 118.0 0.2 . 1 . . . . 18 GLN N . 15073 1 72 . 1 1 19 19 ALA H H 1 7.641 0.02 . 1 . . . . 19 ALA H . 15073 1 73 . 1 1 19 19 ALA C C 13 179.0 0.2 . 1 . . . . 19 ALA C . 15073 1 74 . 1 1 19 19 ALA CA C 13 51.61 0.2 . 1 . . . . 19 ALA CA . 15073 1 75 . 1 1 19 19 ALA CB C 13 14.50 0.2 . 1 . . . . 19 ALA CB . 15073 1 76 . 1 1 19 19 ALA N N 15 124.5 0.2 . 1 . . . . 19 ALA N . 15073 1 77 . 1 1 20 20 HIS H H 1 7.996 0.02 . 1 . . . . 20 HIS H . 15073 1 78 . 1 1 20 20 HIS C C 13 175.2 0.2 . 1 . . . . 20 HIS C . 15073 1 79 . 1 1 20 20 HIS CA C 13 58.17 0.2 . 1 . . . . 20 HIS CA . 15073 1 80 . 1 1 20 20 HIS CB C 13 23.80 0.2 . 1 . . . . 20 HIS CB . 15073 1 81 . 1 1 20 20 HIS N N 15 121.0 0.2 . 1 . . . . 20 HIS N . 15073 1 82 . 1 1 21 21 GLU H H 1 7.209 0.02 . 1 . . . . 21 GLU H . 15073 1 83 . 1 1 21 21 GLU C C 13 177.3 0.2 . 1 . . . . 21 GLU C . 15073 1 84 . 1 1 21 21 GLU CA C 13 56.67 0.2 . 1 . . . . 21 GLU CA . 15073 1 85 . 1 1 21 21 GLU CB C 13 26.60 0.2 . 1 . . . . 21 GLU CB . 15073 1 86 . 1 1 21 21 GLU N N 15 120.4 0.2 . 1 . . . . 21 GLU N . 15073 1 87 . 1 1 22 22 LYS H H 1 7.263 0.02 . 1 . . . . 22 LYS H . 15073 1 88 . 1 1 22 22 LYS C C 13 177.5 0.2 . 1 . . . . 22 LYS C . 15073 1 89 . 1 1 22 22 LYS CA C 13 55.97 0.2 . 1 . . . . 22 LYS CA . 15073 1 90 . 1 1 22 22 LYS CB C 13 29.50 0.2 . 1 . . . . 22 LYS CB . 15073 1 91 . 1 1 22 22 LYS N N 15 116.7 0.2 . 1 . . . . 22 LYS N . 15073 1 92 . 1 1 23 23 ALA H H 1 7.188 0.02 . 1 . . . . 23 ALA H . 15073 1 93 . 1 1 23 23 ALA C C 13 178.2 0.2 . 1 . . . . 23 ALA C . 15073 1 94 . 1 1 23 23 ALA CA C 13 52.81 0.2 . 1 . . . . 23 ALA CA . 15073 1 95 . 1 1 23 23 ALA CB C 13 16.45 0.2 . 1 . . . . 23 ALA CB . 15073 1 96 . 1 1 23 23 ALA N N 15 121.3 0.2 . 1 . . . . 23 ALA N . 15073 1 97 . 1 1 24 24 GLU H H 1 7.676 0.02 . 1 . . . . 24 GLU H . 15073 1 98 . 1 1 24 24 GLU C C 13 175.8 0.2 . 1 . . . . 24 GLU C . 15073 1 99 . 1 1 24 24 GLU CA C 13 56.69 0.2 . 1 . . . . 24 GLU CA . 15073 1 100 . 1 1 24 24 GLU N N 15 118.2 0.2 . 1 . . . . 24 GLU N . 15073 1 101 . 1 1 25 25 HIS H H 1 7.362 0.02 . 1 . . . . 25 HIS H . 15073 1 102 . 1 1 25 25 HIS C C 13 174.3 0.2 . 1 . . . . 25 HIS C . 15073 1 103 . 1 1 25 25 HIS CA C 13 52.47 0.2 . 1 . . . . 25 HIS CA . 15073 1 104 . 1 1 25 25 HIS CB C 13 26.74 0.2 . 1 . . . . 25 HIS CB . 15073 1 105 . 1 1 25 25 HIS N N 15 111.4 0.2 . 1 . . . . 25 HIS N . 15073 1 106 . 1 1 26 26 SER H H 1 7.411 0.02 . 1 . . . . 26 SER H . 15073 1 107 . 1 1 26 26 SER CA C 13 56.30 0.2 . 1 . . . . 26 SER CA . 15073 1 108 . 1 1 26 26 SER CB C 13 61.83 0.2 . 1 . . . . 26 SER CB . 15073 1 109 . 1 1 26 26 SER N N 15 118.6 0.2 . 1 . . . . 26 SER N . 15073 1 110 . 1 1 33 33 LEU C C 13 175.9 0.2 . 1 . . . . 33 LEU C . 15073 1 111 . 1 1 34 34 LYS H H 1 7.523 0.02 . 1 . . . . 34 LYS H . 15073 1 112 . 1 1 34 34 LYS C C 13 176.2 0.2 . 1 . . . . 34 LYS C . 15073 1 113 . 1 1 34 34 LYS CA C 13 53.33 0.2 . 1 . . . . 34 LYS CA . 15073 1 114 . 1 1 34 34 LYS CB C 13 30.72 0.2 . 1 . . . . 34 LYS CB . 15073 1 115 . 1 1 34 34 LYS N N 15 114.7 0.2 . 1 . . . . 34 LYS N . 15073 1 116 . 1 1 35 35 GLY H H 1 7.111 0.02 . 1 . . . . 35 GLY H . 15073 1 117 . 1 1 35 35 GLY C C 13 174.0 0.2 . 1 . . . . 35 GLY C . 15073 1 118 . 1 1 35 35 GLY CA C 13 43.40 0.2 . 1 . . . . 35 GLY CA . 15073 1 119 . 1 1 35 35 GLY N N 15 106.3 0.2 . 1 . . . . 35 GLY N . 15073 1 120 . 1 1 36 36 ARG H H 1 7.960 0.02 . 1 . . . . 36 ARG H . 15073 1 121 . 1 1 36 36 ARG C C 13 175.2 0.2 . 1 . . . . 36 ARG C . 15073 1 122 . 1 1 36 36 ARG CA C 13 54.11 0.2 . 1 . . . . 36 ARG CA . 15073 1 123 . 1 1 36 36 ARG N N 15 116.1 0.2 . 1 . . . . 36 ARG N . 15073 1 124 . 1 1 37 37 LEU H H 1 7.568 0.02 . 1 . . . . 37 LEU H . 15073 1 125 . 1 1 37 37 LEU C C 13 172.6 0.2 . 1 . . . . 37 LEU C . 15073 1 126 . 1 1 37 37 LEU CA C 13 49.71 0.2 . 1 . . . . 37 LEU CA . 15073 1 127 . 1 1 37 37 LEU N N 15 119.5 0.2 . 1 . . . . 37 LEU N . 15073 1 128 . 1 1 38 38 GLY H H 1 7.044 0.02 . 1 . . . . 38 GLY H . 15073 1 129 . 1 1 38 38 GLY C C 13 170.9 0.2 . 1 . . . . 38 GLY C . 15073 1 130 . 1 1 38 38 GLY CA C 13 42.39 0.2 . 1 . . . . 38 GLY CA . 15073 1 131 . 1 1 38 38 GLY N N 15 110.2 0.2 . 1 . . . . 38 GLY N . 15073 1 132 . 1 1 39 39 VAL H H 1 8.465 0.02 . 1 . . . . 39 VAL H . 15073 1 133 . 1 1 39 39 VAL C C 13 177.4 0.2 . 1 . . . . 39 VAL C . 15073 1 134 . 1 1 39 39 VAL CA C 13 63.04 0.2 . 1 . . . . 39 VAL CA . 15073 1 135 . 1 1 39 39 VAL CB C 13 29.43 0.2 . 1 . . . . 39 VAL CB . 15073 1 136 . 1 1 39 39 VAL N N 15 118.4 0.2 . 1 . . . . 39 VAL N . 15073 1 137 . 1 1 40 40 ALA H H 1 8.996 0.02 . 1 . . . . 40 ALA H . 15073 1 138 . 1 1 40 40 ALA C C 13 178.2 0.2 . 1 . . . . 40 ALA C . 15073 1 139 . 1 1 40 40 ALA CA C 13 53.52 0.2 . 1 . . . . 40 ALA CA . 15073 1 140 . 1 1 40 40 ALA CB C 13 15.18 0.2 . 1 . . . . 40 ALA CB . 15073 1 141 . 1 1 40 40 ALA N N 15 126.9 0.2 . 1 . . . . 40 ALA N . 15073 1 142 . 1 1 41 41 GLU H H 1 8.424 0.02 . 1 . . . . 41 GLU H . 15073 1 143 . 1 1 41 41 GLU N N 15 118.4 0.2 . 1 . . . . 41 GLU N . 15073 1 144 . 1 1 47 47 GLU C C 13 177.2 0.2 . 1 . . . . 47 GLU C . 15073 1 145 . 1 1 47 47 GLU CA C 13 56.60 0.2 . 1 . . . . 47 GLU CA . 15073 1 146 . 1 1 48 48 GLN H H 1 7.182 0.02 . 1 . . . . 48 GLN H . 15073 1 147 . 1 1 48 48 GLN C C 13 177.1 0.2 . 1 . . . . 48 GLN C . 15073 1 148 . 1 1 48 48 GLN CA C 13 55.62 0.2 . 1 . . . . 48 GLN CA . 15073 1 149 . 1 1 48 48 GLN CB C 13 25.19 0.2 . 1 . . . . 48 GLN CB . 15073 1 150 . 1 1 48 48 GLN N N 15 114.7 0.2 . 1 . . . . 48 GLN N . 15073 1 151 . 1 1 49 49 ALA H H 1 8.559 0.02 . 1 . . . . 49 ALA H . 15073 1 152 . 1 1 49 49 ALA C C 13 178.0 0.2 . 1 . . . . 49 ALA C . 15073 1 153 . 1 1 49 49 ALA CA C 13 50.74 0.2 . 1 . . . . 49 ALA CA . 15073 1 154 . 1 1 49 49 ALA CB C 13 14.05 0.2 . 1 . . . . 49 ALA CB . 15073 1 155 . 1 1 49 49 ALA N N 15 120.1 0.2 . 1 . . . . 49 ALA N . 15073 1 156 . 1 1 50 50 TRP H H 1 8.499 0.02 . 1 . . . . 50 TRP H . 15073 1 157 . 1 1 50 50 TRP C C 13 178.3 0.2 . 1 . . . . 50 TRP C . 15073 1 158 . 1 1 50 50 TRP CA C 13 61.22 0.2 . 1 . . . . 50 TRP CA . 15073 1 159 . 1 1 50 50 TRP N N 15 121.4 0.2 . 1 . . . . 50 TRP N . 15073 1 160 . 1 1 51 51 LEU H H 1 7.401 0.02 . 1 . . . . 51 LEU H . 15073 1 161 . 1 1 51 51 LEU CA C 13 55.53 0.2 . 1 . . . . 51 LEU CA . 15073 1 162 . 1 1 51 51 LEU N N 15 119.2 0.2 . 1 . . . . 51 LEU N . 15073 1 163 . 1 1 52 52 PHE H H 1 7.689 0.02 . 1 . . . . 52 PHE H . 15073 1 164 . 1 1 52 52 PHE C C 13 176.9 0.2 . 1 . . . . 52 PHE C . 15073 1 165 . 1 1 52 52 PHE CA C 13 56.93 0.2 . 1 . . . . 52 PHE CA . 15073 1 166 . 1 1 52 52 PHE CB C 13 35.46 0.2 . 1 . . . . 52 PHE CB . 15073 1 167 . 1 1 52 52 PHE N N 15 115.9 0.2 . 1 . . . . 52 PHE N . 15073 1 168 . 1 1 53 53 TYR H H 1 9.861 0.02 . 1 . . . . 53 TYR H . 15073 1 169 . 1 1 53 53 TYR C C 13 178.2 0.2 . 1 . . . . 53 TYR C . 15073 1 170 . 1 1 53 53 TYR CA C 13 62.21 0.2 . 1 . . . . 53 TYR CA . 15073 1 171 . 1 1 53 53 TYR CB C 13 34.19 0.2 . 1 . . . . 53 TYR CB . 15073 1 172 . 1 1 53 53 TYR N N 15 125.5 0.2 . 1 . . . . 53 TYR N . 15073 1 173 . 1 1 54 54 THR H H 1 7.618 0.02 . 1 . . . . 54 THR H . 15073 1 174 . 1 1 54 54 THR C C 13 175.7 0.2 . 1 . . . . 54 THR C . 15073 1 175 . 1 1 54 54 THR CA C 13 65.57 0.2 . 1 . . . . 54 THR CA . 15073 1 176 . 1 1 54 54 THR N N 15 115.8 0.2 . 1 . . . . 54 THR N . 15073 1 177 . 1 1 55 55 ALA H H 1 6.609 0.02 . 1 . . . . 55 ALA H . 15073 1 178 . 1 1 55 55 ALA C C 13 178.7 0.2 . 1 . . . . 55 ALA C . 15073 1 179 . 1 1 55 55 ALA CA C 13 52.25 0.2 . 1 . . . . 55 ALA CA . 15073 1 180 . 1 1 55 55 ALA CB C 13 17.64 0.2 . 1 . . . . 55 ALA CB . 15073 1 181 . 1 1 55 55 ALA N N 15 122.6 0.2 . 1 . . . . 55 ALA N . 15073 1 182 . 1 1 56 56 LEU H H 1 9.060 0.02 . 1 . . . . 56 LEU H . 15073 1 183 . 1 1 56 56 LEU C C 13 177.7 0.2 . 1 . . . . 56 LEU C . 15073 1 184 . 1 1 56 56 LEU CA C 13 55.82 0.2 . 1 . . . . 56 LEU CA . 15073 1 185 . 1 1 56 56 LEU N N 15 122.8 0.2 . 1 . . . . 56 LEU N . 15073 1 186 . 1 1 57 57 GLU H H 1 8.716 0.02 . 1 . . . . 57 GLU H . 15073 1 187 . 1 1 57 57 GLU C C 13 177.8 0.2 . 1 . . . . 57 GLU C . 15073 1 188 . 1 1 57 57 GLU CA C 13 58.12 0.2 . 1 . . . . 57 GLU CA . 15073 1 189 . 1 1 57 57 GLU CB C 13 24.87 0.2 . 1 . . . . 57 GLU CB . 15073 1 190 . 1 1 57 57 GLU N N 15 118.3 0.2 . 1 . . . . 57 GLU N . 15073 1 191 . 1 1 58 58 GLN H H 1 7.508 0.02 . 1 . . . . 58 GLN H . 15073 1 192 . 1 1 58 58 GLN C C 13 179.3 0.2 . 1 . . . . 58 GLN C . 15073 1 193 . 1 1 58 58 GLN CA C 13 56.57 0.2 . 1 . . . . 58 GLN CA . 15073 1 194 . 1 1 58 58 GLN CB C 13 26.21 0.2 . 1 . . . . 58 GLN CB . 15073 1 195 . 1 1 58 58 GLN N N 15 119.8 0.2 . 1 . . . . 58 GLN N . 15073 1 196 . 1 1 59 59 ALA H H 1 7.862 0.02 . 1 . . . . 59 ALA H . 15073 1 197 . 1 1 59 59 ALA C C 13 178.0 0.2 . 1 . . . . 59 ALA C . 15073 1 198 . 1 1 59 59 ALA CA C 13 53.60 0.2 . 1 . . . . 59 ALA CA . 15073 1 199 . 1 1 59 59 ALA CB C 13 15.07 0.2 . 1 . . . . 59 ALA CB . 15073 1 200 . 1 1 59 59 ALA N N 15 124.4 0.2 . 1 . . . . 59 ALA N . 15073 1 201 . 1 1 60 60 VAL H H 1 9.465 0.02 . 1 . . . . 60 VAL H . 15073 1 202 . 1 1 60 60 VAL C C 13 175.4 0.2 . 1 . . . . 60 VAL C . 15073 1 203 . 1 1 60 60 VAL CA C 13 64.43 0.2 . 1 . . . . 60 VAL CA . 15073 1 204 . 1 1 60 60 VAL CB C 13 29.80 0.2 . 1 . . . . 60 VAL CB . 15073 1 205 . 1 1 60 60 VAL N N 15 120.0 0.2 . 1 . . . . 60 VAL N . 15073 1 206 . 1 1 61 61 ASP H H 1 8.167 0.02 . 1 . . . . 61 ASP H . 15073 1 207 . 1 1 61 61 ASP C C 13 178.6 0.2 . 1 . . . . 61 ASP C . 15073 1 208 . 1 1 61 61 ASP CA C 13 54.90 0.2 . 1 . . . . 61 ASP CA . 15073 1 209 . 1 1 61 61 ASP CB C 13 37.59 0.2 . 1 . . . . 61 ASP CB . 15073 1 210 . 1 1 61 61 ASP N N 15 119.1 0.2 . 1 . . . . 61 ASP N . 15073 1 211 . 1 1 62 62 ALA H H 1 7.573 0.02 . 1 . . . . 62 ALA H . 15073 1 212 . 1 1 62 62 ALA C C 13 179.4 0.2 . 1 . . . . 62 ALA C . 15073 1 213 . 1 1 62 62 ALA CA C 13 52.52 0.2 . 1 . . . . 62 ALA CA . 15073 1 214 . 1 1 62 62 ALA CB C 13 16.70 0.2 . 1 . . . . 62 ALA CB . 15073 1 215 . 1 1 62 62 ALA N N 15 121.9 0.2 . 1 . . . . 62 ALA N . 15073 1 216 . 1 1 63 63 VAL H H 1 8.416 0.02 . 1 . . . . 63 VAL H . 15073 1 217 . 1 1 63 63 VAL C C 13 179.1 0.2 . 1 . . . . 63 VAL C . 15073 1 218 . 1 1 63 63 VAL CA C 13 64.10 0.2 . 1 . . . . 63 VAL CA . 15073 1 219 . 1 1 63 63 VAL N N 15 119.3 0.2 . 1 . . . . 63 VAL N . 15073 1 220 . 1 1 64 64 ARG H H 1 9.859 0.02 . 1 . . . . 64 ARG H . 15073 1 221 . 1 1 64 64 ARG C C 13 179.1 0.2 . 1 . . . . 64 ARG C . 15073 1 222 . 1 1 64 64 ARG CA C 13 58.00 0.2 . 1 . . . . 64 ARG CA . 15073 1 223 . 1 1 64 64 ARG CB C 13 27.60 0.2 . 1 . . . . 64 ARG CB . 15073 1 224 . 1 1 64 64 ARG N N 15 125.4 0.2 . 1 . . . . 64 ARG N . 15073 1 225 . 1 1 65 65 ALA H H 1 7.848 0.02 . 1 . . . . 65 ALA H . 15073 1 226 . 1 1 65 65 ALA C C 13 177.6 0.2 . 1 . . . . 65 ALA C . 15073 1 227 . 1 1 65 65 ALA CA C 13 52.17 0.2 . 1 . . . . 65 ALA CA . 15073 1 228 . 1 1 65 65 ALA CB C 13 15.42 0.2 . 1 . . . . 65 ALA CB . 15073 1 229 . 1 1 65 65 ALA N N 15 120.2 0.2 . 1 . . . . 65 ALA N . 15073 1 230 . 1 1 66 66 SER H H 1 7.671 0.02 . 1 . . . . 66 SER H . 15073 1 231 . 1 1 66 66 SER C C 13 174.0 0.2 . 1 . . . . 66 SER C . 15073 1 232 . 1 1 66 66 SER CA C 13 57.09 0.2 . 1 . . . . 66 SER CA . 15073 1 233 . 1 1 66 66 SER CB C 13 62.64 0.2 . 1 . . . . 66 SER CB . 15073 1 234 . 1 1 66 66 SER N N 15 113.5 0.2 . 1 . . . . 66 SER N . 15073 1 235 . 1 1 67 67 GLY H H 1 8.123 0.02 . 1 . . . . 67 GLY H . 15073 1 236 . 1 1 67 67 GLY C C 13 172.3 0.2 . 1 . . . . 67 GLY C . 15073 1 237 . 1 1 67 67 GLY CA C 13 42.92 0.2 . 1 . . . . 67 GLY CA . 15073 1 238 . 1 1 67 67 GLY N N 15 111.2 0.2 . 1 . . . . 67 GLY N . 15073 1 239 . 1 1 68 68 PHE H H 1 7.187 0.02 . 1 . . . . 68 PHE H . 15073 1 240 . 1 1 68 68 PHE C C 13 171.9 0.2 . 1 . . . . 68 PHE C . 15073 1 241 . 1 1 68 68 PHE CA C 13 55.48 0.2 . 1 . . . . 68 PHE CA . 15073 1 242 . 1 1 68 68 PHE CB C 13 38.26 0.2 . 1 . . . . 68 PHE CB . 15073 1 243 . 1 1 68 68 PHE N N 15 123.7 0.2 . 1 . . . . 68 PHE N . 15073 1 244 . 1 1 69 69 ALA H H 1 8.128 0.02 . 1 . . . . 69 ALA H . 15073 1 245 . 1 1 69 69 ALA C C 13 177.0 0.2 . 1 . . . . 69 ALA C . 15073 1 246 . 1 1 69 69 ALA CA C 13 49.31 0.2 . 1 . . . . 69 ALA CA . 15073 1 247 . 1 1 69 69 ALA CB C 13 14.97 0.2 . 1 . . . . 69 ALA CB . 15073 1 248 . 1 1 69 69 ALA N N 15 123.4 0.2 . 1 . . . . 69 ALA N . 15073 1 249 . 1 1 70 70 GLU H H 1 7.584 0.02 . 1 . . . . 70 GLU H . 15073 1 250 . 1 1 70 70 GLU C C 13 177.8 0.2 . 1 . . . . 70 GLU C . 15073 1 251 . 1 1 70 70 GLU CA C 13 59.06 0.2 . 1 . . . . 70 GLU CA . 15073 1 252 . 1 1 70 70 GLU CB C 13 27.58 0.2 . 1 . . . . 70 GLU CB . 15073 1 253 . 1 1 70 70 GLU N N 15 115.8 0.2 . 1 . . . . 70 GLU N . 15073 1 254 . 1 1 71 71 SER H H 1 8.275 0.02 . 1 . . . . 71 SER H . 15073 1 255 . 1 1 71 71 SER C C 13 175.6 0.2 . 1 . . . . 71 SER C . 15073 1 256 . 1 1 71 71 SER CA C 13 57.33 0.2 . 1 . . . . 71 SER CA . 15073 1 257 . 1 1 71 71 SER CB C 13 60.22 0.2 . 1 . . . . 71 SER CB . 15073 1 258 . 1 1 71 71 SER N N 15 110.2 0.2 . 1 . . . . 71 SER N . 15073 1 259 . 1 1 72 72 LEU H H 1 7.440 0.02 . 1 . . . . 72 LEU H . 15073 1 260 . 1 1 72 72 LEU C C 13 177.9 0.2 . 1 . . . . 72 LEU C . 15073 1 261 . 1 1 72 72 LEU CA C 13 54.29 0.2 . 1 . . . . 72 LEU CA . 15073 1 262 . 1 1 72 72 LEU N N 15 123.5 0.2 . 1 . . . . 72 LEU N . 15073 1 263 . 1 1 73 73 LEU H H 1 7.169 0.02 . 1 . . . . 73 LEU H . 15073 1 264 . 1 1 73 73 LEU C C 13 175.9 0.2 . 1 . . . . 73 LEU C . 15073 1 265 . 1 1 73 73 LEU CA C 13 50.23 0.2 . 1 . . . . 73 LEU CA . 15073 1 266 . 1 1 73 73 LEU N N 15 120.2 0.2 . 1 . . . . 73 LEU N . 15073 1 267 . 1 1 74 74 ASP H H 1 7.953 0.02 . 1 . . . . 74 ASP H . 15073 1 268 . 1 1 74 74 ASP C C 13 176.1 0.2 . 1 . . . . 74 ASP C . 15073 1 269 . 1 1 74 74 ASP CA C 13 48.93 0.2 . 1 . . . . 74 ASP CA . 15073 1 270 . 1 1 74 74 ASP CB C 13 40.28 0.2 . 1 . . . . 74 ASP CB . 15073 1 271 . 1 1 74 74 ASP N N 15 124.2 0.2 . 1 . . . . 74 ASP N . 15073 1 272 . 1 1 75 75 PRO C C 13 177.1 0.2 . 1 . . . . 75 PRO C . 15073 1 273 . 1 1 75 75 PRO CA C 13 61.78 0.2 . 1 . . . . 75 PRO CA . 15073 1 274 . 1 1 75 75 PRO CB C 13 29.38 0.2 . 1 . . . . 75 PRO CB . 15073 1 275 . 1 1 76 76 ALA H H 1 8.324 0.02 . 1 . . . . 76 ALA H . 15073 1 276 . 1 1 76 76 ALA C C 13 178.2 0.2 . 1 . . . . 76 ALA C . 15073 1 277 . 1 1 76 76 ALA CA C 13 51.53 0.2 . 1 . . . . 76 ALA CA . 15073 1 278 . 1 1 76 76 ALA CB C 13 15.89 0.2 . 1 . . . . 76 ALA CB . 15073 1 279 . 1 1 76 76 ALA N N 15 122.1 0.2 . 1 . . . . 76 ALA N . 15073 1 280 . 1 1 77 77 LEU H H 1 7.513 0.02 . 1 . . . . 77 LEU H . 15073 1 281 . 1 1 77 77 LEU C C 13 175.8 0.2 . 1 . . . . 77 LEU C . 15073 1 282 . 1 1 77 77 LEU CA C 13 52.89 0.2 . 1 . . . . 77 LEU CA . 15073 1 283 . 1 1 77 77 LEU N N 15 114.2 0.2 . 1 . . . . 77 LEU N . 15073 1 284 . 1 1 78 78 ASN H H 1 7.224 0.02 . 1 . . . . 78 ASN H . 15073 1 285 . 1 1 78 78 ASN CA C 13 51.78 0.2 . 1 . . . . 78 ASN CA . 15073 1 286 . 1 1 78 78 ASN CB C 13 35.70 0.2 . 1 . . . . 78 ASN CB . 15073 1 287 . 1 1 78 78 ASN N N 15 116.3 0.2 . 1 . . . . 78 ASN N . 15073 1 288 . 1 1 79 79 ARG H H 1 12.73 0.02 . 1 . . . . 79 ARG H . 15073 1 289 . 1 1 79 79 ARG C C 13 177.4 0.2 . 1 . . . . 79 ARG C . 15073 1 290 . 1 1 79 79 ARG CA C 13 52.80 0.2 . 1 . . . . 79 ARG CA . 15073 1 291 . 1 1 79 79 ARG CB C 13 35.13 0.2 . 1 . . . . 79 ARG CB . 15073 1 292 . 1 1 79 79 ARG N N 15 127.6 0.2 . 1 . . . . 79 ARG N . 15073 1 293 . 1 1 80 80 ALA H H 1 9.898 0.02 . 1 . . . . 80 ALA H . 15073 1 294 . 1 1 80 80 ALA C C 13 178.7 0.2 . 1 . . . . 80 ALA C . 15073 1 295 . 1 1 80 80 ALA CA C 13 55.89 0.2 . 1 . . . . 80 ALA CA . 15073 1 296 . 1 1 80 80 ALA CB C 13 15.90 0.2 . 1 . . . . 80 ALA CB . 15073 1 297 . 1 1 80 80 ALA N N 15 124.9 0.2 . 1 . . . . 80 ALA N . 15073 1 298 . 1 1 81 81 GLU H H 1 8.390 0.02 . 1 . . . . 81 GLU H . 15073 1 299 . 1 1 81 81 GLU C C 13 178.6 0.2 . 1 . . . . 81 GLU C . 15073 1 300 . 1 1 81 81 GLU CA C 13 56.90 0.2 . 1 . . . . 81 GLU CA . 15073 1 301 . 1 1 81 81 GLU CB C 13 26.71 0.2 . 1 . . . . 81 GLU CB . 15073 1 302 . 1 1 81 81 GLU N N 15 115.1 0.2 . 1 . . . . 81 GLU N . 15073 1 303 . 1 1 82 82 VAL H H 1 7.713 0.02 . 1 . . . . 82 VAL H . 15073 1 304 . 1 1 82 82 VAL C C 13 176.8 0.2 . 1 . . . . 82 VAL C . 15073 1 305 . 1 1 82 82 VAL CA C 13 63.20 0.2 . 1 . . . . 82 VAL CA . 15073 1 306 . 1 1 82 82 VAL CB C 13 29.15 0.2 . 1 . . . . 82 VAL CB . 15073 1 307 . 1 1 82 82 VAL N N 15 121.0 0.2 . 1 . . . . 82 VAL N . 15073 1 308 . 1 1 83 83 LEU H H 1 8.800 0.02 . 1 . . . . 83 LEU H . 15073 1 309 . 1 1 83 83 LEU C C 13 176.9 0.2 . 1 . . . . 83 LEU C . 15073 1 310 . 1 1 83 83 LEU CA C 13 54.79 0.2 . 1 . . . . 83 LEU CA . 15073 1 311 . 1 1 83 83 LEU N N 15 122.6 0.2 . 1 . . . . 83 LEU N . 15073 1 312 . 1 1 84 84 ALA CA C 13 52.59 0.2 . 1 . . . . 84 ALA CA . 15073 1 313 . 1 1 84 84 ALA CB C 13 14.91 0.2 . 1 . . . . 84 ALA CB . 15073 1 314 . 1 1 85 85 ARG H H 1 7.249 0.02 . 1 . . . . 85 ARG H . 15073 1 315 . 1 1 85 85 ARG C C 13 179.2 0.2 . 1 . . . . 85 ARG C . 15073 1 316 . 1 1 85 85 ARG CA C 13 57.28 0.2 . 1 . . . . 85 ARG CA . 15073 1 317 . 1 1 85 85 ARG CB C 13 27.75 0.2 . 1 . . . . 85 ARG CB . 15073 1 318 . 1 1 85 85 ARG N N 15 116.5 0.2 . 1 . . . . 85 ARG N . 15073 1 319 . 1 1 86 86 ASP H H 1 8.222 0.02 . 1 . . . . 86 ASP H . 15073 1 320 . 1 1 86 86 ASP CA C 13 55.76 0.2 . 1 . . . . 86 ASP CA . 15073 1 321 . 1 1 86 86 ASP CB C 13 37.72 0.2 . 1 . . . . 86 ASP CB . 15073 1 322 . 1 1 86 86 ASP N N 15 123.3 0.2 . 1 . . . . 86 ASP N . 15073 1 323 . 1 1 87 87 LEU C C 13 179.0 0.2 . 1 . . . . 87 LEU C . 15073 1 324 . 1 1 87 87 LEU CA C 13 55.54 0.2 . 1 . . . . 87 LEU CA . 15073 1 325 . 1 1 88 88 ASP H H 1 8.346 0.02 . 1 . . . . 88 ASP H . 15073 1 326 . 1 1 88 88 ASP C C 13 179.0 0.2 . 1 . . . . 88 ASP C . 15073 1 327 . 1 1 88 88 ASP CA C 13 54.40 0.2 . 1 . . . . 88 ASP CA . 15073 1 328 . 1 1 88 88 ASP CB C 13 37.30 0.2 . 1 . . . . 88 ASP CB . 15073 1 329 . 1 1 88 88 ASP N N 15 122.4 0.2 . 1 . . . . 88 ASP N . 15073 1 330 . 1 1 89 89 LYS H H 1 7.475 0.02 . 1 . . . . 89 LYS H . 15073 1 331 . 1 1 89 89 LYS C C 13 179.1 0.2 . 1 . . . . 89 LYS C . 15073 1 332 . 1 1 89 89 LYS CA C 13 56.09 0.2 . 1 . . . . 89 LYS CA . 15073 1 333 . 1 1 89 89 LYS CB C 13 29.83 0.2 . 1 . . . . 89 LYS CB . 15073 1 334 . 1 1 89 89 LYS N N 15 120.5 0.2 . 1 . . . . 89 LYS N . 15073 1 335 . 1 1 90 90 LEU H H 1 9.282 0.02 . 1 . . . . 90 LEU H . 15073 1 336 . 1 1 90 90 LEU C C 13 178.5 0.2 . 1 . . . . 90 LEU C . 15073 1 337 . 1 1 90 90 LEU CA C 13 55.34 0.2 . 1 . . . . 90 LEU CA . 15073 1 338 . 1 1 90 90 LEU N N 15 122.0 0.2 . 1 . . . . 90 LEU N . 15073 1 339 . 1 1 91 91 ASN H H 1 8.546 0.02 . 1 . . . . 91 ASN H . 15073 1 340 . 1 1 91 91 ASN C C 13 175.7 0.2 . 1 . . . . 91 ASN C . 15073 1 341 . 1 1 91 91 ASN CA C 13 52.34 0.2 . 1 . . . . 91 ASN CA . 15073 1 342 . 1 1 91 91 ASN CB C 13 37.84 0.2 . 1 . . . . 91 ASN CB . 15073 1 343 . 1 1 91 91 ASN N N 15 113.6 0.2 . 1 . . . . 91 ASN N . 15073 1 344 . 1 1 92 92 GLY H H 1 7.615 0.02 . 1 . . . . 92 GLY H . 15073 1 345 . 1 1 92 92 GLY C C 13 171.8 0.2 . 1 . . . . 92 GLY C . 15073 1 346 . 1 1 92 92 GLY CA C 13 43.73 0.2 . 1 . . . . 92 GLY CA . 15073 1 347 . 1 1 92 92 GLY N N 15 110.2 0.2 . 1 . . . . 92 GLY N . 15073 1 348 . 1 1 93 93 SER H H 1 7.984 0.02 . 1 . . . . 93 SER H . 15073 1 349 . 1 1 93 93 SER C C 13 171.9 0.2 . 1 . . . . 93 SER C . 15073 1 350 . 1 1 93 93 SER CA C 13 54.70 0.2 . 1 . . . . 93 SER CA . 15073 1 351 . 1 1 93 93 SER CB C 13 61.61 0.2 . 1 . . . . 93 SER CB . 15073 1 352 . 1 1 93 93 SER N N 15 112.4 0.2 . 1 . . . . 93 SER N . 15073 1 353 . 1 1 94 94 SER H H 1 8.520 0.02 . 1 . . . . 94 SER H . 15073 1 354 . 1 1 94 94 SER C C 13 175.6 0.2 . 1 . . . . 94 SER C . 15073 1 355 . 1 1 94 94 SER CA C 13 56.03 0.2 . 1 . . . . 94 SER CA . 15073 1 356 . 1 1 94 94 SER N N 15 113.2 0.2 . 1 . . . . 94 SER N . 15073 1 357 . 1 1 95 95 GLU H H 1 8.297 0.02 . 1 . . . . 95 GLU H . 15073 1 358 . 1 1 95 95 GLU C C 13 175.7 0.2 . 1 . . . . 95 GLU C . 15073 1 359 . 1 1 95 95 GLU CA C 13 55.99 0.2 . 1 . . . . 95 GLU CA . 15073 1 360 . 1 1 95 95 GLU CB C 13 26.62 0.2 . 1 . . . . 95 GLU CB . 15073 1 361 . 1 1 95 95 GLU N N 15 122.3 0.2 . 1 . . . . 95 GLU N . 15073 1 362 . 1 1 96 96 TRP H H 1 7.314 0.02 . 1 . . . . 96 TRP H . 15073 1 363 . 1 1 96 96 TRP C C 13 176.1 0.2 . 1 . . . . 96 TRP C . 15073 1 364 . 1 1 96 96 TRP CA C 13 55.47 0.2 . 1 . . . . 96 TRP CA . 15073 1 365 . 1 1 96 96 TRP CB C 13 26.02 0.2 . 1 . . . . 96 TRP CB . 15073 1 366 . 1 1 96 96 TRP N N 15 119.1 0.2 . 1 . . . . 96 TRP N . 15073 1 367 . 1 1 97 97 ARG H H 1 5.964 0.02 . 1 . . . . 97 ARG H . 15073 1 368 . 1 1 97 97 ARG C C 13 176.8 0.2 . 1 . . . . 97 ARG C . 15073 1 369 . 1 1 97 97 ARG CA C 13 56.68 0.2 . 1 . . . . 97 ARG CA . 15073 1 370 . 1 1 97 97 ARG CB C 13 26.94 0.2 . 1 . . . . 97 ARG CB . 15073 1 371 . 1 1 97 97 ARG N N 15 120.7 0.2 . 1 . . . . 97 ARG N . 15073 1 372 . 1 1 98 98 SER H H 1 7.381 0.02 . 1 . . . . 98 SER H . 15073 1 373 . 1 1 98 98 SER C C 13 173.3 0.2 . 1 . . . . 98 SER C . 15073 1 374 . 1 1 98 98 SER CA C 13 56.16 0.2 . 1 . . . . 98 SER CA . 15073 1 375 . 1 1 98 98 SER CB C 13 61.10 0.2 . 1 . . . . 98 SER CB . 15073 1 376 . 1 1 98 98 SER N N 15 111.0 0.2 . 1 . . . . 98 SER N . 15073 1 377 . 1 1 99 99 ARG H H 1 7.381 0.02 . 1 . . . . 99 ARG H . 15073 1 378 . 1 1 99 99 ARG C C 13 175.8 0.2 . 1 . . . . 99 ARG C . 15073 1 379 . 1 1 99 99 ARG CA C 13 53.62 0.2 . 1 . . . . 99 ARG CA . 15073 1 380 . 1 1 99 99 ARG CB C 13 29.58 0.2 . 1 . . . . 99 ARG CB . 15073 1 381 . 1 1 99 99 ARG N N 15 119.6 0.2 . 1 . . . . 99 ARG N . 15073 1 382 . 1 1 100 100 ILE H H 1 7.622 0.02 . 1 . . . . 100 ILE H . 15073 1 383 . 1 1 100 100 ILE C C 13 174.2 0.2 . 1 . . . . 100 ILE C . 15073 1 384 . 1 1 100 100 ILE CA C 13 59.65 0.2 . 1 . . . . 100 ILE CA . 15073 1 385 . 1 1 100 100 ILE CB C 13 37.13 0.2 . 1 . . . . 100 ILE CB . 15073 1 386 . 1 1 100 100 ILE N N 15 118.0 0.2 . 1 . . . . 100 ILE N . 15073 1 387 . 1 1 101 101 THR H H 1 8.443 0.02 . 1 . . . . 101 THR H . 15073 1 388 . 1 1 101 101 THR C C 13 172.7 0.2 . 1 . . . . 101 THR C . 15073 1 389 . 1 1 101 101 THR CA C 13 57.81 0.2 . 1 . . . . 101 THR CA . 15073 1 390 . 1 1 101 101 THR CB C 13 68.96 0.2 . 1 . . . . 101 THR CB . 15073 1 391 . 1 1 101 101 THR N N 15 118.5 0.2 . 1 . . . . 101 THR N . 15073 1 392 . 1 1 102 102 ALA H H 1 8.775 0.02 . 1 . . . . 102 ALA H . 15073 1 393 . 1 1 102 102 ALA C C 13 176.8 0.2 . 1 . . . . 102 ALA C . 15073 1 394 . 1 1 102 102 ALA CA C 13 49.79 0.2 . 1 . . . . 102 ALA CA . 15073 1 395 . 1 1 102 102 ALA CB C 13 17.50 0.2 . 1 . . . . 102 ALA CB . 15073 1 396 . 1 1 102 102 ALA N N 15 130.0 0.2 . 1 . . . . 102 ALA N . 15073 1 397 . 1 1 103 103 SER H H 1 8.989 0.02 . 1 . . . . 103 SER H . 15073 1 398 . 1 1 103 103 SER C C 13 171.2 0.2 . 1 . . . . 103 SER C . 15073 1 399 . 1 1 103 103 SER CA C 13 55.60 0.2 . 1 . . . . 103 SER CA . 15073 1 400 . 1 1 103 103 SER CB C 13 59.38 0.2 . 1 . . . . 103 SER CB . 15073 1 401 . 1 1 103 103 SER N N 15 123.4 0.2 . 1 . . . . 103 SER N . 15073 1 402 . 1 1 104 104 PRO C C 13 178.3 0.2 . 1 . . . . 104 PRO C . 15073 1 403 . 1 1 104 104 PRO CA C 13 64.50 0.2 . 1 . . . . 104 PRO CA . 15073 1 404 . 1 1 105 105 ALA H H 1 9.551 0.02 . 1 . . . . 105 ALA H . 15073 1 405 . 1 1 105 105 ALA C C 13 179.8 0.2 . 1 . . . . 105 ALA C . 15073 1 406 . 1 1 105 105 ALA CA C 13 52.28 0.2 . 1 . . . . 105 ALA CA . 15073 1 407 . 1 1 105 105 ALA CB C 13 18.07 0.2 . 1 . . . . 105 ALA CB . 15073 1 408 . 1 1 105 105 ALA N N 15 119.4 0.2 . 1 . . . . 105 ALA N . 15073 1 409 . 1 1 106 106 VAL H H 1 7.619 0.02 . 1 . . . . 106 VAL H . 15073 1 410 . 1 1 106 106 VAL CA C 13 64.62 0.2 . 1 . . . . 106 VAL CA . 15073 1 411 . 1 1 106 106 VAL CB C 13 29.33 0.2 . 1 . . . . 106 VAL CB . 15073 1 412 . 1 1 106 106 VAL N N 15 120.5 0.2 . 1 . . . . 106 VAL N . 15073 1 413 . 1 1 107 107 ILE C C 13 177.8 0.2 . 1 . . . . 107 ILE C . 15073 1 414 . 1 1 107 107 ILE CA C 13 62.78 0.2 . 1 . . . . 107 ILE CA . 15073 1 415 . 1 1 108 108 ASP H H 1 7.293 0.02 . 1 . . . . 108 ASP H . 15073 1 416 . 1 1 108 108 ASP C C 13 177.0 0.2 . 1 . . . . 108 ASP C . 15073 1 417 . 1 1 108 108 ASP CA C 13 55.17 0.2 . 1 . . . . 108 ASP CA . 15073 1 418 . 1 1 108 108 ASP CB C 13 37.95 0.2 . 1 . . . . 108 ASP CB . 15073 1 419 . 1 1 108 108 ASP N N 15 118.9 0.2 . 1 . . . . 108 ASP N . 15073 1 420 . 1 1 109 109 TYR H H 1 7.998 0.02 . 1 . . . . 109 TYR H . 15073 1 421 . 1 1 109 109 TYR C C 13 176.9 0.2 . 1 . . . . 109 TYR C . 15073 1 422 . 1 1 109 109 TYR CA C 13 54.37 0.2 . 1 . . . . 109 TYR CA . 15073 1 423 . 1 1 109 109 TYR CB C 13 36.70 0.2 . 1 . . . . 109 TYR CB . 15073 1 424 . 1 1 109 109 TYR N N 15 125.2 0.2 . 1 . . . . 109 TYR N . 15073 1 425 . 1 1 110 110 VAL H H 1 9.246 0.02 . 1 . . . . 110 VAL H . 15073 1 426 . 1 1 110 110 VAL C C 13 176.7 0.2 . 1 . . . . 110 VAL C . 15073 1 427 . 1 1 110 110 VAL CA C 13 64.69 0.2 . 1 . . . . 110 VAL CA . 15073 1 428 . 1 1 110 110 VAL N N 15 118.9 0.2 . 1 . . . . 110 VAL N . 15073 1 429 . 1 1 111 111 ASN H H 1 8.491 0.02 . 1 . . . . 111 ASN H . 15073 1 430 . 1 1 111 111 ASN CA C 13 53.73 0.2 . 1 . . . . 111 ASN CA . 15073 1 431 . 1 1 111 111 ASN CB C 13 35.25 0.2 . 1 . . . . 111 ASN CB . 15073 1 432 . 1 1 111 111 ASN N N 15 118.0 0.2 . 1 . . . . 111 ASN N . 15073 1 433 . 1 1 113 113 LEU C C 13 178.3 0.2 . 1 . . . . 113 LEU C . 15073 1 434 . 1 1 114 114 GLU H H 1 8.910 0.02 . 1 . . . . 114 GLU H . 15073 1 435 . 1 1 114 114 GLU C C 13 177.3 0.2 . 1 . . . . 114 GLU C . 15073 1 436 . 1 1 114 114 GLU CA C 13 57.46 0.2 . 1 . . . . 114 GLU CA . 15073 1 437 . 1 1 114 114 GLU CB C 13 26.78 0.2 . 1 . . . . 114 GLU CB . 15073 1 438 . 1 1 114 114 GLU N N 15 120.6 0.2 . 1 . . . . 114 GLU N . 15073 1 439 . 1 1 115 115 GLU H H 1 7.794 0.02 . 1 . . . . 115 GLU H . 15073 1 440 . 1 1 115 115 GLU CA C 13 57.26 0.2 . 1 . . . . 115 GLU CA . 15073 1 441 . 1 1 115 115 GLU CB C 13 27.92 0.2 . 1 . . . . 115 GLU CB . 15073 1 442 . 1 1 115 115 GLU N N 15 121.8 0.2 . 1 . . . . 115 GLU N . 15073 1 443 . 1 1 116 116 ILE C C 13 177.2 0.2 . 1 . . . . 116 ILE C . 15073 1 444 . 1 1 116 116 ILE CA C 13 63.50 0.2 . 1 . . . . 116 ILE CA . 15073 1 445 . 1 1 117 117 ARG H H 1 8.227 0.02 . 1 . . . . 117 ARG H . 15073 1 446 . 1 1 117 117 ARG C C 13 177.4 0.2 . 1 . . . . 117 ARG C . 15073 1 447 . 1 1 117 117 ARG CA C 13 57.11 0.2 . 1 . . . . 117 ARG CA . 15073 1 448 . 1 1 117 117 ARG N N 15 120.0 0.2 . 1 . . . . 117 ARG N . 15073 1 449 . 1 1 118 118 ASP H H 1 8.718 0.02 . 1 . . . . 118 ASP H . 15073 1 450 . 1 1 118 118 ASP C C 13 177.0 0.2 . 1 . . . . 118 ASP C . 15073 1 451 . 1 1 118 118 ASP CA C 13 54.66 0.2 . 1 . . . . 118 ASP CA . 15073 1 452 . 1 1 118 118 ASP CB C 13 37.33 0.2 . 1 . . . . 118 ASP CB . 15073 1 453 . 1 1 118 118 ASP N N 15 120.0 0.2 . 1 . . . . 118 ASP N . 15073 1 454 . 1 1 119 119 ASN H H 1 8.411 0.02 . 1 . . . . 119 ASN H . 15073 1 455 . 1 1 119 119 ASN C C 13 173.2 0.2 . 1 . . . . 119 ASN C . 15073 1 456 . 1 1 119 119 ASN CA C 13 50.49 0.2 . 1 . . . . 119 ASN CA . 15073 1 457 . 1 1 119 119 ASN CB C 13 36.28 0.2 . 1 . . . . 119 ASN CB . 15073 1 458 . 1 1 119 119 ASN N N 15 116.2 0.2 . 1 . . . . 119 ASN N . 15073 1 459 . 1 1 120 120 VAL H H 1 7.895 0.02 . 1 . . . . 120 VAL H . 15073 1 460 . 1 1 120 120 VAL C C 13 173.4 0.2 . 1 . . . . 120 VAL C . 15073 1 461 . 1 1 120 120 VAL CA C 13 60.50 0.2 . 1 . . . . 120 VAL CA . 15073 1 462 . 1 1 120 120 VAL CB C 13 27.03 0.2 . 1 . . . . 120 VAL CB . 15073 1 463 . 1 1 120 120 VAL N N 15 123.1 0.2 . 1 . . . . 120 VAL N . 15073 1 464 . 1 1 121 121 ASP H H 1 7.670 0.02 . 1 . . . . 121 ASP H . 15073 1 465 . 1 1 121 121 ASP C C 13 174.5 0.2 . 1 . . . . 121 ASP C . 15073 1 466 . 1 1 121 121 ASP CA C 13 49.75 0.2 . 1 . . . . 121 ASP CA . 15073 1 467 . 1 1 121 121 ASP CB C 13 38.11 0.2 . 1 . . . . 121 ASP CB . 15073 1 468 . 1 1 121 121 ASP N N 15 118.9 0.2 . 1 . . . . 121 ASP N . 15073 1 469 . 1 1 122 122 GLY H H 1 7.954 0.02 . 1 . . . . 122 GLY H . 15073 1 470 . 1 1 122 122 GLY CA C 13 46.71 0.2 . 1 . . . . 122 GLY CA . 15073 1 471 . 1 1 122 122 GLY N N 15 111.9 0.2 . 1 . . . . 122 GLY N . 15073 1 472 . 1 1 123 123 PRO C C 13 176.4 0.2 . 1 . . . . 123 PRO C . 15073 1 473 . 1 1 123 123 PRO CA C 13 63.70 0.2 . 1 . . . . 123 PRO CA . 15073 1 474 . 1 1 124 124 ALA H H 1 7.265 0.02 . 1 . . . . 124 ALA H . 15073 1 475 . 1 1 124 124 ALA C C 13 178.4 0.2 . 1 . . . . 124 ALA C . 15073 1 476 . 1 1 124 124 ALA CA C 13 52.46 0.2 . 1 . . . . 124 ALA CA . 15073 1 477 . 1 1 124 124 ALA CB C 13 16.68 0.2 . 1 . . . . 124 ALA CB . 15073 1 478 . 1 1 124 124 ALA N N 15 115.3 0.2 . 1 . . . . 124 ALA N . 15073 1 479 . 1 1 125 125 LEU H H 1 8.514 0.02 . 1 . . . . 125 LEU H . 15073 1 480 . 1 1 125 125 LEU C C 13 178.8 0.2 . 1 . . . . 125 LEU C . 15073 1 481 . 1 1 125 125 LEU CA C 13 53.78 0.2 . 1 . . . . 125 LEU CA . 15073 1 482 . 1 1 125 125 LEU N N 15 119.3 0.2 . 1 . . . . 125 LEU N . 15073 1 483 . 1 1 126 126 VAL H H 1 8.680 0.02 . 1 . . . . 126 VAL H . 15073 1 484 . 1 1 126 126 VAL C C 13 175.8 0.2 . 1 . . . . 126 VAL C . 15073 1 485 . 1 1 126 126 VAL CA C 13 65.21 0.2 . 1 . . . . 126 VAL CA . 15073 1 486 . 1 1 126 126 VAL CB C 13 28.53 0.2 . 1 . . . . 126 VAL CB . 15073 1 487 . 1 1 126 126 VAL N N 15 120.1 0.2 . 1 . . . . 126 VAL N . 15073 1 488 . 1 1 127 127 ALA H H 1 7.522 0.02 . 1 . . . . 127 ALA H . 15073 1 489 . 1 1 127 127 ALA C C 13 178.0 0.2 . 1 . . . . 127 ALA C . 15073 1 490 . 1 1 127 127 ALA CA C 13 53.85 0.2 . 1 . . . . 127 ALA CA . 15073 1 491 . 1 1 127 127 ALA CB C 13 17.30 0.2 . 1 . . . . 127 ALA CB . 15073 1 492 . 1 1 127 127 ALA N N 15 120.2 0.2 . 1 . . . . 127 ALA N . 15073 1 493 . 1 1 128 128 HIS H H 1 7.685 0.02 . 1 . . . . 128 HIS H . 15073 1 494 . 1 1 128 128 HIS C C 13 176.4 0.2 . 1 . . . . 128 HIS C . 15073 1 495 . 1 1 128 128 HIS CA C 13 59.33 0.2 . 1 . . . . 128 HIS CA . 15073 1 496 . 1 1 128 128 HIS CB C 13 29.78 0.2 . 1 . . . . 128 HIS CB . 15073 1 497 . 1 1 128 128 HIS N N 15 115.1 0.2 . 1 . . . . 128 HIS N . 15073 1 498 . 1 1 129 129 HIS H H 1 9.120 0.02 . 1 . . . . 129 HIS H . 15073 1 499 . 1 1 129 129 HIS C C 13 175.3 0.2 . 1 . . . . 129 HIS C . 15073 1 500 . 1 1 129 129 HIS CA C 13 58.85 0.2 . 1 . . . . 129 HIS CA . 15073 1 501 . 1 1 129 129 HIS CB C 13 31.06 0.2 . 1 . . . . 129 HIS CB . 15073 1 502 . 1 1 129 129 HIS N N 15 123.0 0.2 . 1 . . . . 129 HIS N . 15073 1 503 . 1 1 130 130 TYR H H 1 8.860 0.02 . 1 . . . . 130 TYR H . 15073 1 504 . 1 1 130 130 TYR C C 13 175.6 0.2 . 1 . . . . 130 TYR C . 15073 1 505 . 1 1 130 130 TYR CA C 13 59.01 0.2 . 1 . . . . 130 TYR CA . 15073 1 506 . 1 1 130 130 TYR CB C 13 35.74 0.2 . 1 . . . . 130 TYR CB . 15073 1 507 . 1 1 130 130 TYR N N 15 120.4 0.2 . 1 . . . . 130 TYR N . 15073 1 508 . 1 1 131 131 VAL H H 1 8.065 0.02 . 1 . . . . 131 VAL H . 15073 1 509 . 1 1 131 131 VAL CA C 13 64.92 0.2 . 1 . . . . 131 VAL CA . 15073 1 510 . 1 1 131 131 VAL N N 15 115.8 0.2 . 1 . . . . 131 VAL N . 15073 1 511 . 1 1 134 134 LEU C C 13 179.2 0.2 . 1 . . . . 134 LEU C . 15073 1 512 . 1 1 135 135 GLY H H 1 6.393 0.02 . 1 . . . . 135 GLY H . 15073 1 513 . 1 1 135 135 GLY C C 13 172.9 0.2 . 1 . . . . 135 GLY C . 15073 1 514 . 1 1 135 135 GLY CA C 13 42.38 0.2 . 1 . . . . 135 GLY CA . 15073 1 515 . 1 1 135 135 GLY N N 15 106.2 0.2 . 1 . . . . 135 GLY N . 15073 1 516 . 1 1 136 136 ASP H H 1 7.676 0.02 . 1 . . . . 136 ASP H . 15073 1 517 . 1 1 136 136 ASP CA C 13 55.00 0.2 . 1 . . . . 136 ASP CA . 15073 1 518 . 1 1 136 136 ASP CB C 13 37.82 0.2 . 1 . . . . 136 ASP CB . 15073 1 519 . 1 1 136 136 ASP N N 15 126.3 0.2 . 1 . . . . 136 ASP N . 15073 1 520 . 1 1 137 137 LEU C C 13 174.9 0.2 . 1 . . . . 137 LEU C . 15073 1 521 . 1 1 138 138 SER H H 1 7.071 0.02 . 1 . . . . 138 SER H . 15073 1 522 . 1 1 138 138 SER C C 13 173.9 0.2 . 1 . . . . 138 SER C . 15073 1 523 . 1 1 138 138 SER CA C 13 54.31 0.2 . 1 . . . . 138 SER CA . 15073 1 524 . 1 1 138 138 SER CB C 13 61.57 0.2 . 1 . . . . 138 SER CB . 15073 1 525 . 1 1 138 138 SER N N 15 113.4 0.2 . 1 . . . . 138 SER N . 15073 1 526 . 1 1 139 139 GLY H H 1 6.094 0.02 . 1 . . . . 139 GLY H . 15073 1 527 . 1 1 139 139 GLY C C 13 173.0 0.2 . 1 . . . . 139 GLY C . 15073 1 528 . 1 1 139 139 GLY CA C 13 42.26 0.2 . 1 . . . . 139 GLY CA . 15073 1 529 . 1 1 139 139 GLY N N 15 115.4 0.2 . 1 . . . . 139 GLY N . 15073 1 530 . 1 1 140 140 GLY H H 1 7.232 0.02 . 1 . . . . 140 GLY H . 15073 1 531 . 1 1 140 140 GLY C C 13 172.9 0.2 . 1 . . . . 140 GLY C . 15073 1 532 . 1 1 140 140 GLY CA C 13 43.87 0.2 . 1 . . . . 140 GLY CA . 15073 1 533 . 1 1 140 140 GLY N N 15 108.6 0.2 . 1 . . . . 140 GLY N . 15073 1 534 . 1 1 141 141 GLN H H 1 7.001 0.02 . 1 . . . . 141 GLN H . 15073 1 535 . 1 1 141 141 GLN C C 13 178.1 0.2 . 1 . . . . 141 GLN C . 15073 1 536 . 1 1 141 141 GLN CA C 13 54.41 0.2 . 1 . . . . 141 GLN CA . 15073 1 537 . 1 1 141 141 GLN CB C 13 25.46 0.2 . 1 . . . . 141 GLN CB . 15073 1 538 . 1 1 141 141 GLN N N 15 113.7 0.2 . 1 . . . . 141 GLN N . 15073 1 539 . 1 1 142 142 VAL H H 1 6.962 0.02 . 1 . . . . 142 VAL H . 15073 1 540 . 1 1 142 142 VAL CA C 13 63.06 0.2 . 1 . . . . 142 VAL CA . 15073 1 541 . 1 1 142 142 VAL N N 15 119.9 0.2 . 1 . . . . 142 VAL N . 15073 1 542 . 1 1 144 144 ALA C C 13 178.9 0.2 . 1 . . . . 144 ALA C . 15073 1 543 . 1 1 144 144 ALA CA C 13 52.73 0.2 . 1 . . . . 144 ALA CA . 15073 1 544 . 1 1 144 144 ALA CB C 13 15.37 0.2 . 1 . . . . 144 ALA CB . 15073 1 545 . 1 1 145 145 ARG H H 1 7.053 0.02 . 1 . . . . 145 ARG H . 15073 1 546 . 1 1 145 145 ARG CA C 13 56.70 0.2 . 1 . . . . 145 ARG CA . 15073 1 547 . 1 1 145 145 ARG N N 15 116.5 0.2 . 1 . . . . 145 ARG N . 15073 1 548 . 1 1 149 149 ARG C C 13 177.4 0.2 . 1 . . . . 149 ARG C . 15073 1 549 . 1 1 149 149 ARG CA C 13 56.56 0.2 . 1 . . . . 149 ARG CA . 15073 1 550 . 1 1 149 149 ARG CB C 13 28.09 0.2 . 1 . . . . 149 ARG CB . 15073 1 551 . 1 1 150 150 HIS H H 1 8.225 0.02 . 1 . . . . 150 HIS H . 15073 1 552 . 1 1 150 150 HIS C C 13 176.7 0.2 . 1 . . . . 150 HIS C . 15073 1 553 . 1 1 150 150 HIS CA C 13 55.59 0.2 . 1 . . . . 150 HIS CA . 15073 1 554 . 1 1 150 150 HIS CB C 13 28.09 0.2 . 1 . . . . 150 HIS CB . 15073 1 555 . 1 1 150 150 HIS N N 15 113.2 0.2 . 1 . . . . 150 HIS N . 15073 1 556 . 1 1 151 151 TYR H H 1 6.906 0.02 . 1 . . . . 151 TYR H . 15073 1 557 . 1 1 151 151 TYR C C 13 175.6 0.2 . 1 . . . . 151 TYR C . 15073 1 558 . 1 1 151 151 TYR CA C 13 52.80 0.2 . 1 . . . . 151 TYR CA . 15073 1 559 . 1 1 151 151 TYR N N 15 112.5 0.2 . 1 . . . . 151 TYR N . 15073 1 560 . 1 1 152 152 GLY H H 1 7.720 0.02 . 1 . . . . 152 GLY H . 15073 1 561 . 1 1 152 152 GLY C C 13 173.6 0.2 . 1 . . . . 152 GLY C . 15073 1 562 . 1 1 152 152 GLY CA C 13 44.22 0.2 . 1 . . . . 152 GLY CA . 15073 1 563 . 1 1 152 152 GLY N N 15 109.3 0.2 . 1 . . . . 152 GLY N . 15073 1 564 . 1 1 153 153 VAL H H 1 6.676 0.02 . 1 . . . . 153 VAL H . 15073 1 565 . 1 1 153 153 VAL C C 13 173.6 0.2 . 1 . . . . 153 VAL C . 15073 1 566 . 1 1 153 153 VAL CA C 13 60.90 0.2 . 1 . . . . 153 VAL CA . 15073 1 567 . 1 1 153 153 VAL CB C 13 29.95 0.2 . 1 . . . . 153 VAL CB . 15073 1 568 . 1 1 153 153 VAL N N 15 118.2 0.2 . 1 . . . . 153 VAL N . 15073 1 569 . 1 1 154 154 ASP H H 1 8.468 0.02 . 1 . . . . 154 ASP H . 15073 1 570 . 1 1 154 154 ASP C C 13 174.6 0.2 . 1 . . . . 154 ASP C . 15073 1 571 . 1 1 154 154 ASP CA C 13 49.86 0.2 . 1 . . . . 154 ASP CA . 15073 1 572 . 1 1 154 154 ASP CB C 13 40.08 0.2 . 1 . . . . 154 ASP CB . 15073 1 573 . 1 1 154 154 ASP N N 15 129.1 0.2 . 1 . . . . 154 ASP N . 15073 1 574 . 1 1 155 155 PRO C C 13 178.2 0.2 . 1 . . . . 155 PRO C . 15073 1 575 . 1 1 155 155 PRO CA C 13 62.65 0.2 . 1 . . . . 155 PRO CA . 15073 1 576 . 1 1 155 155 PRO CB C 13 29.25 0.2 . 1 . . . . 155 PRO CB . 15073 1 577 . 1 1 156 156 GLU H H 1 9.035 0.02 . 1 . . . . 156 GLU H . 15073 1 578 . 1 1 156 156 GLU C C 13 175.0 0.2 . 1 . . . . 156 GLU C . 15073 1 579 . 1 1 156 156 GLU CA C 13 55.65 0.2 . 1 . . . . 156 GLU CA . 15073 1 580 . 1 1 156 156 GLU CB C 13 26.62 0.2 . 1 . . . . 156 GLU CB . 15073 1 581 . 1 1 156 156 GLU N N 15 117.7 0.2 . 1 . . . . 156 GLU N . 15073 1 582 . 1 1 157 157 ALA H H 1 8.159 0.02 . 1 . . . . 157 ALA H . 15073 1 583 . 1 1 157 157 ALA C C 13 172.9 0.2 . 1 . . . . 157 ALA C . 15073 1 584 . 1 1 157 157 ALA CA C 13 48.77 0.2 . 1 . . . . 157 ALA CA . 15073 1 585 . 1 1 157 157 ALA CB C 13 16.36 0.2 . 1 . . . . 157 ALA CB . 15073 1 586 . 1 1 157 157 ALA N N 15 122.0 0.2 . 1 . . . . 157 ALA N . 15073 1 587 . 1 1 158 158 LEU H H 1 6.909 0.02 . 1 . . . . 158 LEU H . 15073 1 588 . 1 1 158 158 LEU C C 13 178.2 0.2 . 1 . . . . 158 LEU C . 15073 1 589 . 1 1 158 158 LEU CA C 13 50.54 0.2 . 1 . . . . 158 LEU CA . 15073 1 590 . 1 1 158 158 LEU N N 15 117.3 0.2 . 1 . . . . 158 LEU N . 15073 1 591 . 1 1 159 159 GLY H H 1 10.00 0.02 . 1 . . . . 159 GLY H . 15073 1 592 . 1 1 159 159 GLY C C 13 179.5 0.2 . 1 . . . . 159 GLY C . 15073 1 593 . 1 1 159 159 GLY CA C 13 45.37 0.2 . 1 . . . . 159 GLY CA . 15073 1 594 . 1 1 159 159 GLY N N 15 119.2 0.2 . 1 . . . . 159 GLY N . 15073 1 595 . 1 1 160 160 PHE H H 1 8.842 0.02 . 1 . . . . 160 PHE H . 15073 1 596 . 1 1 160 160 PHE C C 13 176.9 0.2 . 1 . . . . 160 PHE C . 15073 1 597 . 1 1 160 160 PHE CA C 13 58.62 0.2 . 1 . . . . 160 PHE CA . 15073 1 598 . 1 1 160 160 PHE N N 15 124.7 0.2 . 1 . . . . 160 PHE N . 15073 1 599 . 1 1 163 163 PHE C C 13 174.5 0.2 . 1 . . . . 163 PHE C . 15073 1 600 . 1 1 163 163 PHE CA C 13 53.96 0.2 . 1 . . . . 163 PHE CA . 15073 1 601 . 1 1 163 163 PHE CB C 13 36.24 0.2 . 1 . . . . 163 PHE CB . 15073 1 602 . 1 1 164 164 GLU H H 1 8.569 0.02 . 1 . . . . 164 GLU H . 15073 1 603 . 1 1 164 164 GLU C C 13 176.7 0.2 . 1 . . . . 164 GLU C . 15073 1 604 . 1 1 164 164 GLU CA C 13 55.74 0.2 . 1 . . . . 164 GLU CA . 15073 1 605 . 1 1 164 164 GLU CB C 13 27.16 0.2 . 1 . . . . 164 GLU CB . 15073 1 606 . 1 1 164 164 GLU N N 15 125.0 0.2 . 1 . . . . 164 GLU N . 15073 1 607 . 1 1 165 165 GLY H H 1 8.769 0.02 . 1 . . . . 165 GLY H . 15073 1 608 . 1 1 165 165 GLY C C 13 172.8 0.2 . 1 . . . . 165 GLY C . 15073 1 609 . 1 1 165 165 GLY CA C 13 42.49 0.2 . 1 . . . . 165 GLY CA . 15073 1 610 . 1 1 165 165 GLY N N 15 108.1 0.2 . 1 . . . . 165 GLY N . 15073 1 611 . 1 1 166 166 ILE H H 1 7.233 0.02 . 1 . . . . 166 ILE H . 15073 1 612 . 1 1 166 166 ILE C C 13 177.3 0.2 . 1 . . . . 166 ILE C . 15073 1 613 . 1 1 166 166 ILE N N 15 120.5 0.2 . 1 . . . . 166 ILE N . 15073 1 614 . 1 1 167 167 ALA C C 13 177.6 0.2 . 1 . . . . 167 ALA C . 15073 1 615 . 1 1 167 167 ALA CA C 13 52.00 0.2 . 1 . . . . 167 ALA CA . 15073 1 616 . 1 1 167 167 ALA CB C 13 16.74 0.2 . 1 . . . . 167 ALA CB . 15073 1 617 . 1 1 168 168 LYS H H 1 8.033 0.02 . 1 . . . . 168 LYS H . 15073 1 618 . 1 1 168 168 LYS CA C 13 52.00 0.2 . 1 . . . . 168 LYS CA . 15073 1 619 . 1 1 168 168 LYS CB C 13 31.06 0.2 . 1 . . . . 168 LYS CB . 15073 1 620 . 1 1 168 168 LYS N N 15 116.9 0.2 . 1 . . . . 168 LYS N . 15073 1 621 . 1 1 170 170 LYS C C 13 177.7 0.2 . 1 . . . . 170 LYS C . 15073 1 622 . 1 1 170 170 LYS CA C 13 58.06 0.2 . 1 . . . . 170 LYS CA . 15073 1 623 . 1 1 170 170 LYS CB C 13 30.13 0.2 . 1 . . . . 170 LYS CB . 15073 1 624 . 1 1 171 171 VAL H H 1 6.669 0.02 . 1 . . . . 171 VAL H . 15073 1 625 . 1 1 171 171 VAL C C 13 176.8 0.2 . 1 . . . . 171 VAL C . 15073 1 626 . 1 1 171 171 VAL CA C 13 62.38 0.2 . 1 . . . . 171 VAL CA . 15073 1 627 . 1 1 171 171 VAL CB C 13 29.70 0.2 . 1 . . . . 171 VAL CB . 15073 1 628 . 1 1 171 171 VAL N N 15 117.4 0.2 . 1 . . . . 171 VAL N . 15073 1 629 . 1 1 172 172 TYR H H 1 8.105 0.02 . 1 . . . . 172 TYR H . 15073 1 630 . 1 1 172 172 TYR CA C 13 59.51 0.2 . 1 . . . . 172 TYR CA . 15073 1 631 . 1 1 172 172 TYR CB C 13 37.15 0.2 . 1 . . . . 172 TYR CB . 15073 1 632 . 1 1 172 172 TYR N N 15 121.5 0.2 . 1 . . . . 172 TYR N . 15073 1 633 . 1 1 173 173 LYS C C 13 177.1 0.2 . 1 . . . . 173 LYS C . 15073 1 634 . 1 1 173 173 LYS CA C 13 58.18 0.2 . 1 . . . . 173 LYS CA . 15073 1 635 . 1 1 173 173 LYS CB C 13 29.78 0.2 . 1 . . . . 173 LYS CB . 15073 1 636 . 1 1 174 174 ASP H H 1 7.722 0.02 . 1 . . . . 174 ASP H . 15073 1 637 . 1 1 174 174 ASP C C 13 178.9 0.2 . 1 . . . . 174 ASP C . 15073 1 638 . 1 1 174 174 ASP CA C 13 55.16 0.2 . 1 . . . . 174 ASP CA . 15073 1 639 . 1 1 174 174 ASP CB C 13 37.31 0.2 . 1 . . . . 174 ASP CB . 15073 1 640 . 1 1 174 174 ASP N N 15 119.6 0.2 . 1 . . . . 174 ASP N . 15073 1 641 . 1 1 175 175 GLU H H 1 8.493 0.02 . 1 . . . . 175 GLU H . 15073 1 642 . 1 1 175 175 GLU C C 13 177.7 0.2 . 1 . . . . 175 GLU C . 15073 1 643 . 1 1 175 175 GLU CA C 13 56.88 0.2 . 1 . . . . 175 GLU CA . 15073 1 644 . 1 1 175 175 GLU CB C 13 26.89 0.2 . 1 . . . . 175 GLU CB . 15073 1 645 . 1 1 175 175 GLU N N 15 122.1 0.2 . 1 . . . . 175 GLU N . 15073 1 646 . 1 1 176 176 TYR H H 1 8.872 0.02 . 1 . . . . 176 TYR H . 15073 1 647 . 1 1 176 176 TYR C C 13 177.0 0.2 . 1 . . . . 176 TYR C . 15073 1 648 . 1 1 176 176 TYR CA C 13 59.65 0.2 . 1 . . . . 176 TYR CA . 15073 1 649 . 1 1 176 176 TYR CB C 13 36.27 0.2 . 1 . . . . 176 TYR CB . 15073 1 650 . 1 1 176 176 TYR N N 15 124.7 0.2 . 1 . . . . 176 TYR N . 15073 1 651 . 1 1 177 177 ARG H H 1 8.210 0.02 . 1 . . . . 177 ARG H . 15073 1 652 . 1 1 177 177 ARG C C 13 177.0 0.2 . 1 . . . . 177 ARG C . 15073 1 653 . 1 1 177 177 ARG CA C 13 58.44 0.2 . 1 . . . . 177 ARG CA . 15073 1 654 . 1 1 177 177 ARG CB C 13 27.71 0.2 . 1 . . . . 177 ARG CB . 15073 1 655 . 1 1 177 177 ARG N N 15 116.8 0.2 . 1 . . . . 177 ARG N . 15073 1 656 . 1 1 178 178 GLU H H 1 7.847 0.02 . 1 . . . . 178 GLU H . 15073 1 657 . 1 1 178 178 GLU CA C 13 56.82 0.2 . 1 . . . . 178 GLU CA . 15073 1 658 . 1 1 178 178 GLU CB C 13 26.84 0.2 . 1 . . . . 178 GLU CB . 15073 1 659 . 1 1 178 178 GLU N N 15 118.6 0.2 . 1 . . . . 178 GLU N . 15073 1 660 . 1 1 180 180 LEU C C 13 177.8 0.2 . 1 . . . . 180 LEU C . 15073 1 661 . 1 1 180 180 LEU CA C 13 55.51 0.2 . 1 . . . . 180 LEU CA . 15073 1 662 . 1 1 181 181 ASN H H 1 8.194 0.02 . 1 . . . . 181 ASN H . 15073 1 663 . 1 1 181 181 ASN C C 13 175.7 0.2 . 1 . . . . 181 ASN C . 15073 1 664 . 1 1 181 181 ASN CA C 13 52.30 0.2 . 1 . . . . 181 ASN CA . 15073 1 665 . 1 1 181 181 ASN CB C 13 35.19 0.2 . 1 . . . . 181 ASN CB . 15073 1 666 . 1 1 181 181 ASN N N 15 117.3 0.2 . 1 . . . . 181 ASN N . 15073 1 667 . 1 1 182 182 ASN H H 1 7.725 0.02 . 1 . . . . 182 ASN H . 15073 1 668 . 1 1 182 182 ASN C C 13 174.3 0.2 . 1 . . . . 182 ASN C . 15073 1 669 . 1 1 182 182 ASN CA C 13 50.52 0.2 . 1 . . . . 182 ASN CA . 15073 1 670 . 1 1 182 182 ASN CB C 13 37.31 0.2 . 1 . . . . 182 ASN CB . 15073 1 671 . 1 1 182 182 ASN N N 15 116.2 0.2 . 1 . . . . 182 ASN N . 15073 1 672 . 1 1 183 183 LEU H H 1 7.224 0.02 . 1 . . . . 183 LEU H . 15073 1 673 . 1 1 183 183 LEU C C 13 175.7 0.2 . 1 . . . . 183 LEU C . 15073 1 674 . 1 1 183 183 LEU CA C 13 53.22 0.2 . 1 . . . . 183 LEU CA . 15073 1 675 . 1 1 183 183 LEU CB C 13 39.73 0.2 . 1 . . . . 183 LEU CB . 15073 1 676 . 1 1 183 183 LEU N N 15 122.8 0.2 . 1 . . . . 183 LEU N . 15073 1 677 . 1 1 184 184 GLU H H 1 8.795 0.02 . 1 . . . . 184 GLU H . 15073 1 678 . 1 1 184 184 GLU C C 13 174.2 0.2 . 1 . . . . 184 GLU C . 15073 1 679 . 1 1 184 184 GLU CA C 13 53.97 0.2 . 1 . . . . 184 GLU CA . 15073 1 680 . 1 1 184 184 GLU CB C 13 26.76 0.2 . 1 . . . . 184 GLU CB . 15073 1 681 . 1 1 184 184 GLU N N 15 128.1 0.2 . 1 . . . . 184 GLU N . 15073 1 682 . 1 1 185 185 LEU H H 1 8.164 0.02 . 1 . . . . 185 LEU H . 15073 1 683 . 1 1 185 185 LEU C C 13 176.7 0.2 . 1 . . . . 185 LEU C . 15073 1 684 . 1 1 185 185 LEU CA C 13 50.46 0.2 . 1 . . . . 185 LEU CA . 15073 1 685 . 1 1 185 185 LEU N N 15 125.9 0.2 . 1 . . . . 185 LEU N . 15073 1 686 . 1 1 186 186 SER H H 1 9.346 0.02 . 1 . . . . 186 SER H . 15073 1 687 . 1 1 186 186 SER C C 13 174.0 0.2 . 1 . . . . 186 SER C . 15073 1 688 . 1 1 186 186 SER CA C 13 54.54 0.2 . 1 . . . . 186 SER CA . 15073 1 689 . 1 1 186 186 SER CB C 13 62.54 0.2 . 1 . . . . 186 SER CB . 15073 1 690 . 1 1 186 186 SER N N 15 120.2 0.2 . 1 . . . . 186 SER N . 15073 1 691 . 1 1 187 187 ASP H H 1 9.147 0.02 . 1 . . . . 187 ASP H . 15073 1 692 . 1 1 187 187 ASP C C 13 178.0 0.2 . 1 . . . . 187 ASP C . 15073 1 693 . 1 1 187 187 ASP CA C 13 55.80 0.2 . 1 . . . . 187 ASP CA . 15073 1 694 . 1 1 187 187 ASP CB C 13 45.74 0.2 . 1 . . . . 187 ASP CB . 15073 1 695 . 1 1 187 187 ASP N N 15 122.4 0.2 . 1 . . . . 187 ASP N . 15073 1 696 . 1 1 188 188 GLU H H 1 8.783 0.02 . 1 . . . . 188 GLU H . 15073 1 697 . 1 1 188 188 GLU C C 13 178.8 0.2 . 1 . . . . 188 GLU C . 15073 1 698 . 1 1 188 188 GLU CA C 13 57.32 0.2 . 1 . . . . 188 GLU CA . 15073 1 699 . 1 1 188 188 GLU CB C 13 27.12 0.2 . 1 . . . . 188 GLU CB . 15073 1 700 . 1 1 188 188 GLU N N 15 119.7 0.2 . 1 . . . . 188 GLU N . 15073 1 701 . 1 1 189 189 GLN H H 1 7.908 0.02 . 1 . . . . 189 GLN H . 15073 1 702 . 1 1 189 189 GLN C C 13 177.4 0.2 . 1 . . . . 189 GLN C . 15073 1 703 . 1 1 189 189 GLN CA C 13 56.51 0.2 . 1 . . . . 189 GLN CA . 15073 1 704 . 1 1 189 189 GLN CB C 13 28.31 0.2 . 1 . . . . 189 GLN CB . 15073 1 705 . 1 1 189 189 GLN N N 15 120.0 0.2 . 1 . . . . 189 GLN N . 15073 1 706 . 1 1 190 190 ARG H H 1 8.824 0.02 . 1 . . . . 190 ARG H . 15073 1 707 . 1 1 190 190 ARG C C 13 176.6 0.2 . 1 . . . . 190 ARG C . 15073 1 708 . 1 1 190 190 ARG CA C 13 57.71 0.2 . 1 . . . . 190 ARG CA . 15073 1 709 . 1 1 190 190 ARG CB C 13 28.12 0.2 . 1 . . . . 190 ARG CB . 15073 1 710 . 1 1 190 190 ARG N N 15 120.8 0.2 . 1 . . . . 190 ARG N . 15073 1 711 . 1 1 191 191 GLU H H 1 8.115 0.02 . 1 . . . . 191 GLU H . 15073 1 712 . 1 1 191 191 GLU C C 13 178.2 0.2 . 1 . . . . 191 GLU C . 15073 1 713 . 1 1 191 191 GLU CA C 13 57.10 0.2 . 1 . . . . 191 GLU CA . 15073 1 714 . 1 1 191 191 GLU CB C 13 27.16 0.2 . 1 . . . . 191 GLU CB . 15073 1 715 . 1 1 191 191 GLU N N 15 118.1 0.2 . 1 . . . . 191 GLU N . 15073 1 716 . 1 1 192 192 HIS H H 1 7.999 0.02 . 1 . . . . 192 HIS H . 15073 1 717 . 1 1 192 192 HIS C C 13 175.6 0.2 . 1 . . . . 192 HIS C . 15073 1 718 . 1 1 192 192 HIS CA C 13 56.32 0.2 . 1 . . . . 192 HIS CA . 15073 1 719 . 1 1 192 192 HIS N N 15 120.0 0.2 . 1 . . . . 192 HIS N . 15073 1 720 . 1 1 193 193 LEU H H 1 7.657 0.02 . 1 . . . . 193 LEU H . 15073 1 721 . 1 1 193 193 LEU C C 13 174.6 0.2 . 1 . . . . 193 LEU C . 15073 1 722 . 1 1 193 193 LEU N N 15 118.6 0.2 . 1 . . . . 193 LEU N . 15073 1 723 . 1 1 196 196 GLU C C 13 177.0 0.2 . 1 . . . . 196 GLU C . 15073 1 724 . 1 1 196 196 GLU CA C 13 55.98 0.2 . 1 . . . . 196 GLU CA . 15073 1 725 . 1 1 197 197 ALA H H 1 8.334 0.02 . 1 . . . . 197 ALA H . 15073 1 726 . 1 1 197 197 ALA C C 13 178.7 0.2 . 1 . . . . 197 ALA C . 15073 1 727 . 1 1 197 197 ALA CA C 13 52.94 0.2 . 1 . . . . 197 ALA CA . 15073 1 728 . 1 1 197 197 ALA CB C 13 15.38 0.2 . 1 . . . . 197 ALA CB . 15073 1 729 . 1 1 197 197 ALA N N 15 120.6 0.2 . 1 . . . . 197 ALA N . 15073 1 730 . 1 1 198 198 THR H H 1 7.293 0.02 . 1 . . . . 198 THR H . 15073 1 731 . 1 1 198 198 THR C C 13 175.5 0.2 . 1 . . . . 198 THR C . 15073 1 732 . 1 1 198 198 THR CA C 13 65.66 0.2 . 1 . . . . 198 THR CA . 15073 1 733 . 1 1 198 198 THR N N 15 114.2 0.2 . 1 . . . . 198 THR N . 15073 1 734 . 1 1 199 199 ASP H H 1 7.951 0.02 . 1 . . . . 199 ASP H . 15073 1 735 . 1 1 199 199 ASP C C 13 177.1 0.2 . 1 . . . . 199 ASP C . 15073 1 736 . 1 1 199 199 ASP CA C 13 55.01 0.2 . 1 . . . . 199 ASP CA . 15073 1 737 . 1 1 199 199 ASP CB C 13 36.75 0.2 . 1 . . . . 199 ASP CB . 15073 1 738 . 1 1 199 199 ASP N N 15 123.8 0.2 . 1 . . . . 199 ASP N . 15073 1 739 . 1 1 200 200 ALA H H 1 9.170 0.02 . 1 . . . . 200 ALA H . 15073 1 740 . 1 1 200 200 ALA CA C 13 52.96 0.2 . 1 . . . . 200 ALA CA . 15073 1 741 . 1 1 200 200 ALA CB C 13 15.49 0.2 . 1 . . . . 200 ALA CB . 15073 1 742 . 1 1 200 200 ALA N N 15 122.3 0.2 . 1 . . . . 200 ALA N . 15073 1 743 . 1 1 203 203 PHE C C 13 177.9 0.2 . 1 . . . . 203 PHE C . 15073 1 744 . 1 1 203 203 PHE CA C 13 58.54 0.2 . 1 . . . . 203 PHE CA . 15073 1 745 . 1 1 204 204 ASN H H 1 7.228 0.02 . 1 . . . . 204 ASN H . 15073 1 746 . 1 1 204 204 ASN C C 13 177.2 0.2 . 1 . . . . 204 ASN C . 15073 1 747 . 1 1 204 204 ASN CA C 13 55.69 0.2 . 1 . . . . 204 ASN CA . 15073 1 748 . 1 1 204 204 ASN CB C 13 38.07 0.2 . 1 . . . . 204 ASN CB . 15073 1 749 . 1 1 204 204 ASN N N 15 116.0 0.2 . 1 . . . . 204 ASN N . 15073 1 750 . 1 1 205 205 HIS H H 1 8.956 0.02 . 1 . . . . 205 HIS H . 15073 1 751 . 1 1 205 205 HIS C C 13 178.0 0.2 . 1 . . . . 205 HIS C . 15073 1 752 . 1 1 205 205 HIS CA C 13 56.34 0.2 . 1 . . . . 205 HIS CA . 15073 1 753 . 1 1 205 205 HIS CB C 13 29.31 0.2 . 1 . . . . 205 HIS CB . 15073 1 754 . 1 1 205 205 HIS N N 15 120.1 0.2 . 1 . . . . 205 HIS N . 15073 1 755 . 1 1 206 206 GLN H H 1 8.555 0.02 . 1 . . . . 206 GLN H . 15073 1 756 . 1 1 206 206 GLN C C 13 177.2 0.2 . 1 . . . . 206 GLN C . 15073 1 757 . 1 1 206 206 GLN CA C 13 55.90 0.2 . 1 . . . . 206 GLN CA . 15073 1 758 . 1 1 206 206 GLN CB C 13 25.63 0.2 . 1 . . . . 206 GLN CB . 15073 1 759 . 1 1 206 206 GLN N N 15 119.6 0.2 . 1 . . . . 206 GLN N . 15073 1 760 . 1 1 207 207 VAL H H 1 8.017 0.02 . 1 . . . . 207 VAL H . 15073 1 761 . 1 1 207 207 VAL C C 13 178.0 0.2 . 1 . . . . 207 VAL C . 15073 1 762 . 1 1 207 207 VAL CA C 13 65.17 0.2 . 1 . . . . 207 VAL CA . 15073 1 763 . 1 1 207 207 VAL N N 15 122.5 0.2 . 1 . . . . 207 VAL N . 15073 1 764 . 1 1 208 208 PHE H H 1 7.451 0.02 . 1 . . . . 208 PHE H . 15073 1 765 . 1 1 208 208 PHE C C 13 178.4 0.2 . 1 . . . . 208 PHE C . 15073 1 766 . 1 1 208 208 PHE CA C 13 55.08 0.2 . 1 . . . . 208 PHE CA . 15073 1 767 . 1 1 208 208 PHE N N 15 116.9 0.2 . 1 . . . . 208 PHE N . 15073 1 768 . 1 1 209 209 ALA H H 1 8.453 0.02 . 1 . . . . 209 ALA H . 15073 1 769 . 1 1 209 209 ALA C C 13 179.7 0.2 . 1 . . . . 209 ALA C . 15073 1 770 . 1 1 209 209 ALA CA C 13 52.98 0.2 . 1 . . . . 209 ALA CA . 15073 1 771 . 1 1 209 209 ALA CB C 13 15.56 0.2 . 1 . . . . 209 ALA CB . 15073 1 772 . 1 1 209 209 ALA N N 15 125.2 0.2 . 1 . . . . 209 ALA N . 15073 1 773 . 1 1 210 210 ASP H H 1 8.575 0.02 . 1 . . . . 210 ASP H . 15073 1 774 . 1 1 210 210 ASP C C 13 179.3 0.2 . 1 . . . . 210 ASP C . 15073 1 775 . 1 1 210 210 ASP CA C 13 55.21 0.2 . 1 . . . . 210 ASP CA . 15073 1 776 . 1 1 210 210 ASP CB C 13 38.09 0.2 . 1 . . . . 210 ASP CB . 15073 1 777 . 1 1 210 210 ASP N N 15 121.0 0.2 . 1 . . . . 210 ASP N . 15073 1 778 . 1 1 211 211 LEU H H 1 8.045 0.02 . 1 . . . . 211 LEU H . 15073 1 779 . 1 1 211 211 LEU C C 13 178.6 0.2 . 1 . . . . 211 LEU C . 15073 1 780 . 1 1 211 211 LEU CA C 13 55.65 0.2 . 1 . . . . 211 LEU CA . 15073 1 781 . 1 1 211 211 LEU N N 15 121.8 0.2 . 1 . . . . 211 LEU N . 15073 1 782 . 1 1 212 212 GLY H H 1 8.283 0.02 . 1 . . . . 212 GLY H . 15073 1 783 . 1 1 212 212 GLY C C 13 174.8 0.2 . 1 . . . . 212 GLY C . 15073 1 784 . 1 1 212 212 GLY CA C 13 43.95 0.2 . 1 . . . . 212 GLY CA . 15073 1 785 . 1 1 212 212 GLY N N 15 105.7 0.2 . 1 . . . . 212 GLY N . 15073 1 786 . 1 1 213 213 LYS H H 1 7.813 0.02 . 1 . . . . 213 LYS H . 15073 1 787 . 1 1 213 213 LYS C C 13 177.4 0.2 . 1 . . . . 213 LYS C . 15073 1 788 . 1 1 213 213 LYS CA C 13 56.09 0.2 . 1 . . . . 213 LYS CA . 15073 1 789 . 1 1 213 213 LYS CB C 13 30.10 0.2 . 1 . . . . 213 LYS CB . 15073 1 790 . 1 1 213 213 LYS N N 15 121.8 0.2 . 1 . . . . 213 LYS N . 15073 1 791 . 1 1 214 214 GLY H H 1 8.179 0.02 . 1 . . . . 214 GLY H . 15073 1 792 . 1 1 214 214 GLY C C 13 174.0 0.2 . 1 . . . . 214 GLY C . 15073 1 793 . 1 1 214 214 GLY CA C 13 43.30 0.2 . 1 . . . . 214 GLY CA . 15073 1 794 . 1 1 214 214 GLY N N 15 107.3 0.2 . 1 . . . . 214 GLY N . 15073 1 795 . 1 1 215 215 LEU H H 1 7.768 0.02 . 1 . . . . 215 LEU H . 15073 1 796 . 1 1 215 215 LEU C C 13 179.1 0.2 . 1 . . . . 215 LEU C . 15073 1 797 . 1 1 215 215 LEU CA C 13 53.03 0.2 . 1 . . . . 215 LEU CA . 15073 1 798 . 1 1 215 215 LEU N N 15 120.0 0.2 . 1 . . . . 215 LEU N . 15073 1 stop_ save_