data_4236 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4236 _Entry.Title ; Sequence-specific Resonance Assignments for the NADP(H)-binding Component (domain III) of Proton-translocating Transhydrogenase from Rhodospirillum rubrum. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-10-02 _Entry.Accession_date 1998-10-14 _Entry.Last_release_date 2000-12-18 _Entry.Original_release_date 2000-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mark Jeeves . . . 4236 2 John Smith . K. . 4236 3 Philip Quirk . G. . 4236 4 Nick Cotton . P.J. . 4236 5 Baz Jackson . J. . 4236 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4236 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 4236 '15N chemical shifts' 182 4236 '1H chemical shifts' 387 4236 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-12-18 1998-10-02 original author . 4236 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4236 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11004437 _Citation.Full_citation . _Citation.Title ; Solution structure of the NADP(H)-binding component (dIII) of proton-translocating transhydrogenase from Rhodospirillum rubrum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1459 _Citation.Journal_issue . _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 248 _Citation.Page_last 257 _Citation.Year 2000 _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 Mark Jeeves . . . 4236 1 2 John Smith . K. . 4236 1 3 Philip Quirk . G. . 4236 1 4 Nick Cotton . P.J. . 4236 1 5 Baz Jackson . J. . 4236 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NADP(H) 4236 1 'NMR assignment' 4236 1 nucleotide-binding 4236 1 'proton translocation' 4236 1 'Rhodospirillum rubrum' 4236 1 transhydrogenase 4236 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_THIII-NADP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_THIII-NADP _Assembly.Entry_ID 4236 _Assembly.ID 1 _Assembly.Name THIII-NADP _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 22209 _Assembly.Enzyme_commission_number 1.6.1.1 _Assembly.Details ; This is the 1:1 complex of THIII and NADP. Complex of proton-translocating nicotinamide nucleotide transhydrogenase domain III with nicotinamide-adenine-dinucleotide phosphate. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 4236 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 THIII 1 $THIII . . . native . . . . . 4236 1 2 NADP 2 $entity_NAP . . . native . . . . . 4236 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1E3TA . 'Chain A, Solution Structure Of The Nadp(H) Binding Component (Diii) Of Proton-Translocating Transhydrogenase From' . . . . 4236 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID THIII-NADP abbreviation 4236 1 THIII-NADP system 4236 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; THIII, NADP(H)-binding component (domain III) of proton-translocating transhydrogenase ; 4236 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_THIII _Entity.Sf_category entity _Entity.Sf_framecode THIII _Entity.Entry_ID 4236 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Proton-translocating nicotinamide nucleotide transhydrogenase domain III' _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 ; MNRSIFNVILGGFGSEGGVA AAGGAAGDRSVKAGSAEDAA FIMKNASKVIIVPGYGMAVA QAQHALREMADVLKKEGVEV SYAIHPVAGRMPGHMNVLLA EANVPYDEVFELEEINSSFQ TADVAFVIGANDVTNPAAKT DPSSPIYGMPILDVEKAGTV LFIKRSMASGYAGVENELFF RNNTMMLFGDAKKMTEQIVQ AMN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 203 _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 21466 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E3T . "Solution Structure Of The Nadp(H) Binding Component (Diii) Of Proton-Translocating Transhydrogenase From Rhodospirillum Rubrum" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 2 no PDB 1HZZ . "The Asymmetric Complex Of The Two Nucleotide-Binding Components (Di, Diii) Of Proton-Translocating Transhydrogenase" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 3 no PDB 1NM5 . "R. Rubrum Transhydrogenase (Di.Q132n)2(Diii)1 Asymmetric Complex" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 4 no PDB 1PNO . "Crystal Structure Of R. Rubrum Transhydrogenase Domain Iii Bound To Nadp" . . . . . 84.24 180 100.00 100.00 6.46e-119 . . . . 4236 1 5 no PDB 1PNQ . "Crystal Structure Of R. Rubrum Transhydrogenase Domain Iii Bound To Nadph" . . . . . 84.24 180 100.00 100.00 6.46e-119 . . . . 4236 1 6 no PDB 1PTJ . "Crystal Structure Analysis Of The Di And Diii Complex Of Transhydrogenase With A Thio-Nicotinamide Nucleotide Analogue" . . . . . 85.71 174 100.00 100.00 2.25e-121 . . . . 4236 1 7 no PDB 1U28 . "R. Rubrum Transhydrogenase Asymmetric Complex (Di.Nad+)2(Diii.Nadp+)1" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 8 no PDB 1U2D . "Structre Of Transhydrogenaes (Di.Nadh)2(Diii.Nadph)1 Asymmetric Complex" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 9 no PDB 1U2G . "Transhydrogenase (Di.Adpr)2(Diii.Nadph)1 Asymmetric Complex" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 10 no PDB 1XLT . "Crystal Structure Of Transhydrogenase [(Domain I)2:domain Iii] Heterotrimer Complex" . . . . . 84.24 174 100.00 100.00 3.86e-119 . . . . 4236 1 11 no PDB 2FR8 . "Structure Of Transhydrogenase (Di.R127a.Nad+)2(Diii.Nadp+)1 Asymmetric Complex" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 12 no PDB 2FRD . "Structure Of Transhydrogenase (di.s138a.nadh)2(diii.nadph)1 Asymmetric Complex" . . . . . 100.00 203 100.00 100.00 9.77e-143 . . . . 4236 1 13 no PDB 2FSV . "Structure Of Transhydrogenase (Di.D135n.Nad+)2(Diii.E155w.Nadp+)1 Asymmetric Complex" . . . . . 100.00 203 99.51 99.51 8.71e-142 . . . . 4236 1 14 no PDB 2OO5 . "Structure Of Transhydrogenase (Di.H2nadh)2(Diii.Nadp+)1 Asymmetric Complex" . . . . . 85.71 174 100.00 100.00 2.25e-121 . . . . 4236 1 15 no PDB 2OOR . "Structure Of Transhydrogenase (Di.Nad+)2(Diii.H2nadph)1 Asymmetric Complex" . . . . . 85.71 174 100.00 100.00 2.25e-121 . . . . 4236 1 16 no GB AAA62495 . "proton-translocating nicotinamide nucleotide transhydrogenase subunit PntB [Rhodospirillum rubrum ATCC 11170]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 17 no GB AAC43257 . "nicotinamide nucleotide transhydrogenase, subunit beta [Rhodospirillum rubrum]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 18 no GB ABC22981 . "NAD(P) transhydrogenase, beta subunit [Rhodospirillum rubrum ATCC 11170]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 19 no GB AEO48711 . "NAD(P) transhydrogenase, subunit beta [Rhodospirillum rubrum F11]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 20 no PRF 2102322C . "energy-transducing nicotinamide nucleotide transhydrogenase:" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 21 no REF WP_011390030 . "NAD(P) transhydrogenase subunit beta [Rhodospirillum rubrum]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 22 no REF YP_427268 . "NAD(P) transhydrogenase subunit beta [Rhodospirillum rubrum ATCC 11170]" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 23 no SP P0C188 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 24 no SP Q2RSB4 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 100.00 464 100.00 100.00 4.00e-141 . . . . 4236 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID dIII abbreviation 4236 1 'Proton-translocating nicotinamide nucleotide transhydrogenase domain III' common 4236 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'NADP(H) binding protein' . 4236 1 transhydrogenase . 4236 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4236 1 2 2 ASN . 4236 1 3 3 ARG . 4236 1 4 4 SER . 4236 1 5 5 ILE . 4236 1 6 6 PHE . 4236 1 7 7 ASN . 4236 1 8 8 VAL . 4236 1 9 9 ILE . 4236 1 10 10 LEU . 4236 1 11 11 GLY . 4236 1 12 12 GLY . 4236 1 13 13 PHE . 4236 1 14 14 GLY . 4236 1 15 15 SER . 4236 1 16 16 GLU . 4236 1 17 17 GLY . 4236 1 18 18 GLY . 4236 1 19 19 VAL . 4236 1 20 20 ALA . 4236 1 21 21 ALA . 4236 1 22 22 ALA . 4236 1 23 23 GLY . 4236 1 24 24 GLY . 4236 1 25 25 ALA . 4236 1 26 26 ALA . 4236 1 27 27 GLY . 4236 1 28 28 ASP . 4236 1 29 29 ARG . 4236 1 30 30 SER . 4236 1 31 31 VAL . 4236 1 32 32 LYS . 4236 1 33 33 ALA . 4236 1 34 34 GLY . 4236 1 35 35 SER . 4236 1 36 36 ALA . 4236 1 37 37 GLU . 4236 1 38 38 ASP . 4236 1 39 39 ALA . 4236 1 40 40 ALA . 4236 1 41 41 PHE . 4236 1 42 42 ILE . 4236 1 43 43 MET . 4236 1 44 44 LYS . 4236 1 45 45 ASN . 4236 1 46 46 ALA . 4236 1 47 47 SER . 4236 1 48 48 LYS . 4236 1 49 49 VAL . 4236 1 50 50 ILE . 4236 1 51 51 ILE . 4236 1 52 52 VAL . 4236 1 53 53 PRO . 4236 1 54 54 GLY . 4236 1 55 55 TYR . 4236 1 56 56 GLY . 4236 1 57 57 MET . 4236 1 58 58 ALA . 4236 1 59 59 VAL . 4236 1 60 60 ALA . 4236 1 61 61 GLN . 4236 1 62 62 ALA . 4236 1 63 63 GLN . 4236 1 64 64 HIS . 4236 1 65 65 ALA . 4236 1 66 66 LEU . 4236 1 67 67 ARG . 4236 1 68 68 GLU . 4236 1 69 69 MET . 4236 1 70 70 ALA . 4236 1 71 71 ASP . 4236 1 72 72 VAL . 4236 1 73 73 LEU . 4236 1 74 74 LYS . 4236 1 75 75 LYS . 4236 1 76 76 GLU . 4236 1 77 77 GLY . 4236 1 78 78 VAL . 4236 1 79 79 GLU . 4236 1 80 80 VAL . 4236 1 81 81 SER . 4236 1 82 82 TYR . 4236 1 83 83 ALA . 4236 1 84 84 ILE . 4236 1 85 85 HIS . 4236 1 86 86 PRO . 4236 1 87 87 VAL . 4236 1 88 88 ALA . 4236 1 89 89 GLY . 4236 1 90 90 ARG . 4236 1 91 91 MET . 4236 1 92 92 PRO . 4236 1 93 93 GLY . 4236 1 94 94 HIS . 4236 1 95 95 MET . 4236 1 96 96 ASN . 4236 1 97 97 VAL . 4236 1 98 98 LEU . 4236 1 99 99 LEU . 4236 1 100 100 ALA . 4236 1 101 101 GLU . 4236 1 102 102 ALA . 4236 1 103 103 ASN . 4236 1 104 104 VAL . 4236 1 105 105 PRO . 4236 1 106 106 TYR . 4236 1 107 107 ASP . 4236 1 108 108 GLU . 4236 1 109 109 VAL . 4236 1 110 110 PHE . 4236 1 111 111 GLU . 4236 1 112 112 LEU . 4236 1 113 113 GLU . 4236 1 114 114 GLU . 4236 1 115 115 ILE . 4236 1 116 116 ASN . 4236 1 117 117 SER . 4236 1 118 118 SER . 4236 1 119 119 PHE . 4236 1 120 120 GLN . 4236 1 121 121 THR . 4236 1 122 122 ALA . 4236 1 123 123 ASP . 4236 1 124 124 VAL . 4236 1 125 125 ALA . 4236 1 126 126 PHE . 4236 1 127 127 VAL . 4236 1 128 128 ILE . 4236 1 129 129 GLY . 4236 1 130 130 ALA . 4236 1 131 131 ASN . 4236 1 132 132 ASP . 4236 1 133 133 VAL . 4236 1 134 134 THR . 4236 1 135 135 ASN . 4236 1 136 136 PRO . 4236 1 137 137 ALA . 4236 1 138 138 ALA . 4236 1 139 139 LYS . 4236 1 140 140 THR . 4236 1 141 141 ASP . 4236 1 142 142 PRO . 4236 1 143 143 SER . 4236 1 144 144 SER . 4236 1 145 145 PRO . 4236 1 146 146 ILE . 4236 1 147 147 TYR . 4236 1 148 148 GLY . 4236 1 149 149 MET . 4236 1 150 150 PRO . 4236 1 151 151 ILE . 4236 1 152 152 LEU . 4236 1 153 153 ASP . 4236 1 154 154 VAL . 4236 1 155 155 GLU . 4236 1 156 156 LYS . 4236 1 157 157 ALA . 4236 1 158 158 GLY . 4236 1 159 159 THR . 4236 1 160 160 VAL . 4236 1 161 161 LEU . 4236 1 162 162 PHE . 4236 1 163 163 ILE . 4236 1 164 164 LYS . 4236 1 165 165 ARG . 4236 1 166 166 SER . 4236 1 167 167 MET . 4236 1 168 168 ALA . 4236 1 169 169 SER . 4236 1 170 170 GLY . 4236 1 171 171 TYR . 4236 1 172 172 ALA . 4236 1 173 173 GLY . 4236 1 174 174 VAL . 4236 1 175 175 GLU . 4236 1 176 176 ASN . 4236 1 177 177 GLU . 4236 1 178 178 LEU . 4236 1 179 179 PHE . 4236 1 180 180 PHE . 4236 1 181 181 ARG . 4236 1 182 182 ASN . 4236 1 183 183 ASN . 4236 1 184 184 THR . 4236 1 185 185 MET . 4236 1 186 186 MET . 4236 1 187 187 LEU . 4236 1 188 188 PHE . 4236 1 189 189 GLY . 4236 1 190 190 ASP . 4236 1 191 191 ALA . 4236 1 192 192 LYS . 4236 1 193 193 LYS . 4236 1 194 194 MET . 4236 1 195 195 THR . 4236 1 196 196 GLU . 4236 1 197 197 GLN . 4236 1 198 198 ILE . 4236 1 199 199 VAL . 4236 1 200 200 GLN . 4236 1 201 201 ALA . 4236 1 202 202 MET . 4236 1 203 203 ASN . 4236 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 4236 1 . ASN 2 2 4236 1 . ARG 3 3 4236 1 . SER 4 4 4236 1 . ILE 5 5 4236 1 . PHE 6 6 4236 1 . ASN 7 7 4236 1 . VAL 8 8 4236 1 . ILE 9 9 4236 1 . LEU 10 10 4236 1 . GLY 11 11 4236 1 . GLY 12 12 4236 1 . PHE 13 13 4236 1 . GLY 14 14 4236 1 . SER 15 15 4236 1 . GLU 16 16 4236 1 . GLY 17 17 4236 1 . GLY 18 18 4236 1 . VAL 19 19 4236 1 . ALA 20 20 4236 1 . ALA 21 21 4236 1 . ALA 22 22 4236 1 . GLY 23 23 4236 1 . GLY 24 24 4236 1 . ALA 25 25 4236 1 . ALA 26 26 4236 1 . GLY 27 27 4236 1 . ASP 28 28 4236 1 . ARG 29 29 4236 1 . SER 30 30 4236 1 . VAL 31 31 4236 1 . LYS 32 32 4236 1 . ALA 33 33 4236 1 . GLY 34 34 4236 1 . SER 35 35 4236 1 . ALA 36 36 4236 1 . GLU 37 37 4236 1 . ASP 38 38 4236 1 . ALA 39 39 4236 1 . ALA 40 40 4236 1 . PHE 41 41 4236 1 . ILE 42 42 4236 1 . MET 43 43 4236 1 . LYS 44 44 4236 1 . ASN 45 45 4236 1 . ALA 46 46 4236 1 . SER 47 47 4236 1 . LYS 48 48 4236 1 . VAL 49 49 4236 1 . ILE 50 50 4236 1 . ILE 51 51 4236 1 . VAL 52 52 4236 1 . PRO 53 53 4236 1 . GLY 54 54 4236 1 . TYR 55 55 4236 1 . GLY 56 56 4236 1 . MET 57 57 4236 1 . ALA 58 58 4236 1 . VAL 59 59 4236 1 . ALA 60 60 4236 1 . GLN 61 61 4236 1 . ALA 62 62 4236 1 . GLN 63 63 4236 1 . HIS 64 64 4236 1 . ALA 65 65 4236 1 . LEU 66 66 4236 1 . ARG 67 67 4236 1 . GLU 68 68 4236 1 . MET 69 69 4236 1 . ALA 70 70 4236 1 . ASP 71 71 4236 1 . VAL 72 72 4236 1 . LEU 73 73 4236 1 . LYS 74 74 4236 1 . LYS 75 75 4236 1 . GLU 76 76 4236 1 . GLY 77 77 4236 1 . VAL 78 78 4236 1 . GLU 79 79 4236 1 . VAL 80 80 4236 1 . SER 81 81 4236 1 . TYR 82 82 4236 1 . ALA 83 83 4236 1 . ILE 84 84 4236 1 . HIS 85 85 4236 1 . PRO 86 86 4236 1 . VAL 87 87 4236 1 . ALA 88 88 4236 1 . GLY 89 89 4236 1 . ARG 90 90 4236 1 . MET 91 91 4236 1 . PRO 92 92 4236 1 . GLY 93 93 4236 1 . HIS 94 94 4236 1 . MET 95 95 4236 1 . ASN 96 96 4236 1 . VAL 97 97 4236 1 . LEU 98 98 4236 1 . LEU 99 99 4236 1 . ALA 100 100 4236 1 . GLU 101 101 4236 1 . ALA 102 102 4236 1 . ASN 103 103 4236 1 . VAL 104 104 4236 1 . PRO 105 105 4236 1 . TYR 106 106 4236 1 . ASP 107 107 4236 1 . GLU 108 108 4236 1 . VAL 109 109 4236 1 . PHE 110 110 4236 1 . GLU 111 111 4236 1 . LEU 112 112 4236 1 . GLU 113 113 4236 1 . GLU 114 114 4236 1 . ILE 115 115 4236 1 . ASN 116 116 4236 1 . SER 117 117 4236 1 . SER 118 118 4236 1 . PHE 119 119 4236 1 . GLN 120 120 4236 1 . THR 121 121 4236 1 . ALA 122 122 4236 1 . ASP 123 123 4236 1 . VAL 124 124 4236 1 . ALA 125 125 4236 1 . PHE 126 126 4236 1 . VAL 127 127 4236 1 . ILE 128 128 4236 1 . GLY 129 129 4236 1 . ALA 130 130 4236 1 . ASN 131 131 4236 1 . ASP 132 132 4236 1 . VAL 133 133 4236 1 . THR 134 134 4236 1 . ASN 135 135 4236 1 . PRO 136 136 4236 1 . ALA 137 137 4236 1 . ALA 138 138 4236 1 . LYS 139 139 4236 1 . THR 140 140 4236 1 . ASP 141 141 4236 1 . PRO 142 142 4236 1 . SER 143 143 4236 1 . SER 144 144 4236 1 . PRO 145 145 4236 1 . ILE 146 146 4236 1 . TYR 147 147 4236 1 . GLY 148 148 4236 1 . MET 149 149 4236 1 . PRO 150 150 4236 1 . ILE 151 151 4236 1 . LEU 152 152 4236 1 . ASP 153 153 4236 1 . VAL 154 154 4236 1 . GLU 155 155 4236 1 . LYS 156 156 4236 1 . ALA 157 157 4236 1 . GLY 158 158 4236 1 . THR 159 159 4236 1 . VAL 160 160 4236 1 . LEU 161 161 4236 1 . PHE 162 162 4236 1 . ILE 163 163 4236 1 . LYS 164 164 4236 1 . ARG 165 165 4236 1 . SER 166 166 4236 1 . MET 167 167 4236 1 . ALA 168 168 4236 1 . SER 169 169 4236 1 . GLY 170 170 4236 1 . TYR 171 171 4236 1 . ALA 172 172 4236 1 . GLY 173 173 4236 1 . VAL 174 174 4236 1 . GLU 175 175 4236 1 . ASN 176 176 4236 1 . GLU 177 177 4236 1 . LEU 178 178 4236 1 . PHE 179 179 4236 1 . PHE 180 180 4236 1 . ARG 181 181 4236 1 . ASN 182 182 4236 1 . ASN 183 183 4236 1 . THR 184 184 4236 1 . MET 185 185 4236 1 . MET 186 186 4236 1 . LEU 187 187 4236 1 . PHE 188 188 4236 1 . GLY 189 189 4236 1 . ASP 190 190 4236 1 . ALA 191 191 4236 1 . LYS 192 192 4236 1 . LYS 193 193 4236 1 . MET 194 194 4236 1 . THR 195 195 4236 1 . GLU 196 196 4236 1 . GLN 197 197 4236 1 . ILE 198 198 4236 1 . VAL 199 199 4236 1 . GLN 200 200 4236 1 . ALA 201 201 4236 1 . MET 202 202 4236 1 . ASN 203 203 4236 1 stop_ save_ save_entity_NAP _Entity.Sf_category entity _Entity.Sf_framecode entity_NAP _Entity.Entry_ID 4236 _Entity.ID 2 _Entity.BMRB_code NAP _Entity.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID NAP _Entity.Nonpolymer_comp_label $chem_comp_NAP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 743.405 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 4236 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 4236 2 NAP 'Three letter code' 4236 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 NAP $entity_NAP 4236 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 NAP C1B 4236 2 2 1 NAP C1D 4236 2 3 1 NAP C2A 4236 2 4 1 NAP C2B 4236 2 5 1 NAP C2D 4236 2 6 1 NAP C2N 4236 2 7 1 NAP C3B 4236 2 8 1 NAP C3D 4236 2 9 1 NAP C3N 4236 2 10 1 NAP C4A 4236 2 11 1 NAP C4B 4236 2 12 1 NAP C4D 4236 2 13 1 NAP C4N 4236 2 14 1 NAP C5A 4236 2 15 1 NAP C5B 4236 2 16 1 NAP C5D 4236 2 17 1 NAP C5N 4236 2 18 1 NAP C6A 4236 2 19 1 NAP C6N 4236 2 20 1 NAP C7N 4236 2 21 1 NAP C8A 4236 2 22 1 NAP H1B 4236 2 23 1 NAP H1D 4236 2 24 1 NAP H2A 4236 2 25 1 NAP H2B 4236 2 26 1 NAP H2D 4236 2 27 1 NAP H2N 4236 2 28 1 NAP H3B 4236 2 29 1 NAP H3D 4236 2 30 1 NAP H4B 4236 2 31 1 NAP H4D 4236 2 32 1 NAP H4N 4236 2 33 1 NAP H51A 4236 2 34 1 NAP H51N 4236 2 35 1 NAP H52A 4236 2 36 1 NAP H52N 4236 2 37 1 NAP H5N 4236 2 38 1 NAP H61A 4236 2 39 1 NAP H62A 4236 2 40 1 NAP H6N 4236 2 41 1 NAP H71N 4236 2 42 1 NAP H72N 4236 2 43 1 NAP H8A 4236 2 44 1 NAP HO2N 4236 2 45 1 NAP HO3A 4236 2 46 1 NAP HO3N 4236 2 47 1 NAP HOA2 4236 2 48 1 NAP HOP2 4236 2 49 1 NAP HOP3 4236 2 50 1 NAP N1A 4236 2 51 1 NAP N1N 4236 2 52 1 NAP N3A 4236 2 53 1 NAP N6A 4236 2 54 1 NAP N7A 4236 2 55 1 NAP N7N 4236 2 56 1 NAP N9A 4236 2 57 1 NAP O1A 4236 2 58 1 NAP O1N 4236 2 59 1 NAP O1X 4236 2 60 1 NAP O2A 4236 2 61 1 NAP O2B 4236 2 62 1 NAP O2D 4236 2 63 1 NAP O2N 4236 2 64 1 NAP O2X 4236 2 65 1 NAP O3 4236 2 66 1 NAP O3B 4236 2 67 1 NAP O3D 4236 2 68 1 NAP O3X 4236 2 69 1 NAP O4B 4236 2 70 1 NAP O4D 4236 2 71 1 NAP O5B 4236 2 72 1 NAP O5D 4236 2 73 1 NAP O7N 4236 2 74 1 NAP P2B 4236 2 75 1 NAP PA 4236 2 76 1 NAP PN 4236 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 4236 _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 $THIII . 1085 . . 'Rhodospirillum rubrum' R.rubrum . . Eubacteria . Rhodospirillum rubrum S1 . . . . . . . . . . . . . . . . . . . . 4236 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 4236 _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 $THIII . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET21c . . . 'natural source' . . 4236 1 2 2 $entity_NAP . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . Sigma . . . . 4236 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAP _Chem_comp.Entry_ID 4236 _Chem_comp.ID NAP _Chem_comp.Provenance PDB _Chem_comp.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NAP _Chem_comp.PDB_code NAP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAP _Chem_comp.Number_atoms_all 76 _Chem_comp.Number_atoms_nh 48 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 _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 '2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H28 N7 O17 P3' _Chem_comp.Formula_weight 743.405 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1D4O _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 4236 NAP c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4236 NAP InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI InChI 1.03 4236 NAP NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O SMILES_CANONICAL CACTVS 3.341 4236 NAP NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O SMILES CACTVS 3.341 4236 NAP XJLXINKUBYWONI-NNYOXOHSSA-N InChIKey InChI 1.03 4236 NAP 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 '[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4236 NAP 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 PA PA PA AP . P . . R 0 . . . 1 no no . . . . 17.174 . 26.134 . 12.040 . -0.035 -0.972 0.719 1 . 4236 NAP O1A O1A O1A AO1 . O . . N 0 . . . 1 no no . . . . 16.048 . 25.314 . 12.500 . 0.490 -0.256 1.903 2 . 4236 NAP O2A O2A O2A AO2 . O . . N 0 . . . 1 no no . . . . 18.478 . 26.114 . 12.670 . -0.725 -2.349 1.187 3 . 4236 NAP O5B O5B O5B AO5* . O . . N 0 . . . 1 no no . . . . 17.317 . 25.889 . 10.437 . -1.126 -0.051 -0.026 4 . 4236 NAP C5B C5B C5B AC5* . C . . N 0 . . . 1 no no . . . . 17.813 . 26.990 . 9.495 . -2.109 0.297 0.952 5 . 4236 NAP C4B C4B C4B AC4* . C . . R 0 . . . 1 no no . . . . 17.962 . 26.155 . 8.345 . -3.181 1.177 0.307 6 . 4236 NAP O4B O4B O4B AO4* . O . . N 0 . . . 1 no no . . . . 17.859 . 27.351 . 7.294 . -3.920 0.416 -0.663 7 . 4236 NAP C3B C3B C3B AC3* . C . . R 0 . . . 1 no no . . . . 18.840 . 25.789 . 7.535 . -4.181 1.655 1.377 8 . 4236 NAP O3B O3B O3B AO3* . O . . N 0 . . . 1 no no . . . . 18.208 . 24.597 . 7.839 . -4.196 3.082 1.456 9 . 4236 NAP C2B C2B C2B AC2* . C . . R 0 . . . 1 no no . . . . 19.276 . 25.751 . 6.147 . -5.550 1.124 0.876 10 . 4236 NAP O2B O2B O2B AO2* . O . . N 0 . . . 1 no no . . . . 18.883 . 24.739 . 5.481 . -6.576 2.099 1.071 11 . 4236 NAP C1B C1B C1B AC1* . C . . R 0 . . . 1 no no . . . . 18.394 . 26.894 . 5.988 . -5.279 0.901 -0.633 12 . 4236 NAP N9A N9A N9A AN9 . N . . N 0 . . . 1 yes no . . . . 19.237 . 28.090 . 5.590 . -6.196 -0.101 -1.183 13 . 4236 NAP C8A C8A C8A AC8 . C . . N 0 . . . 1 yes no . . . . 20.466 . 28.637 . 6.011 . -5.978 -1.445 -1.249 14 . 4236 NAP N7A N7A N7A AN7 . N . . N 0 . . . 1 yes no . . . . 20.935 . 29.548 . 5.192 . -7.000 -2.036 -1.795 15 . 4236 NAP C5A C5A C5A AC5 . C . . N 0 . . . 1 yes no . . . . 20.003 . 29.624 . 4.173 . -7.938 -1.111 -2.114 16 . 4236 NAP C6A C6A C6A AC6 . C . . N 0 . . . 1 yes no . . . . 19.935 . 30.402 . 2.975 . -9.210 -1.158 -2.708 17 . 4236 NAP N6A N6A N6A AN6 . N . . N 0 . . . 1 no no . . . . 20.889 . 31.262 . 2.635 . -9.759 -2.363 -3.112 18 . 4236 NAP N1A N1A N1A AN1 . N . . N 0 . . . 1 yes no . . . . 18.841 . 30.230 . 2.153 . -9.874 -0.019 -2.874 19 . 4236 NAP C2A C2A C2A AC2 . C . . N 0 . . . 1 yes no . . . . 17.867 . 29.350 . 2.480 . -9.358 1.135 -2.492 20 . 4236 NAP N3A N3A N3A AN3 . N . . N 0 . . . 1 yes no . . . . 17.859 . 28.574 . 3.579 . -8.171 1.227 -1.931 21 . 4236 NAP C4A C4A C4A AC4 . C . . N 0 . . . 1 yes no . . . . 18.962 . 28.758 . 4.395 . -7.435 0.141 -1.720 22 . 4236 NAP O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 16.458 . 27.566 . 12.208 . 1.175 -1.294 -0.293 23 . 4236 NAP PN PN PN NP . P . . N 0 . . . 1 no no . . . . 15.216 . 28.068 . 13.153 . 2.390 -1.858 0.599 24 . 4236 NAP O1N O1N O1N NO1 . O . . N 0 . . . 1 no no . . . . 13.983 . 27.417 . 12.642 . 2.142 -3.348 0.925 25 . 4236 NAP O2N O2N O2N NO2 . O . . N -1 . . . 1 no no . . . . 15.308 . 29.554 . 13.093 . 2.481 -1.051 1.914 26 . 4236 NAP O5D O5D O5D NO5* . O . . N 0 . . . 1 no no . . . . 15.487 . 27.658 . 14.685 . 3.770 -1.710 -0.218 27 . 4236 NAP C5D C5D C5D NC5* . C . . N 0 . . . 1 no no . . . . 16.599 . 28.169 . 15.475 . 4.818 -2.114 0.665 28 . 4236 NAP C4D C4D C4D NC4* . C . . R 0 . . . 1 no no . . . . 17.395 . 26.968 . 16.025 . 6.164 -1.997 -0.053 29 . 4236 NAP O4D O4D O4D NO4* . O . . N 0 . . . 1 no no . . . . 18.653 . 27.366 . 16.614 . 6.466 -0.613 -0.332 30 . 4236 NAP C3D C3D C3D NC3* . C . . S 0 . . . 1 no no . . . . 16.694 . 26.193 . 17.167 . 7.310 -2.474 0.866 31 . 4236 NAP O3D O3D O3D NO3* . O . . N 0 . . . 1 no no . . . . 17.085 . 24.806 . 17.287 . 7.670 -3.822 0.559 32 . 4236 NAP C2D C2D C2D NC2* . C . . R 0 . . . 1 no no . . . . 17.093 . 26.936 . 18.393 . 8.478 -1.513 0.540 33 . 4236 NAP O2D O2D O2D NO2* . O . . N 0 . . . 1 no no . . . . 16.979 . 26.205 . 19.588 . 9.595 -2.239 0.025 34 . 4236 NAP C1D C1D C1D NC1* . C . . R 0 . . . 1 no no . . . . 18.569 . 27.243 . 18.038 . 7.895 -0.568 -0.534 35 . 4236 NAP N1N N1N N1N NN1 . N . . N 1 . . . 1 yes no . . . . 19.125 . 28.361 . 18.811 . 8.395 0.795 -0.341 36 . 4236 NAP C2N C2N C2N NC2 . C . . N 0 . . . 1 yes no . . . . 18.555 . 29.641 . 18.667 . 9.364 1.237 -1.116 37 . 4236 NAP C3N C3N C3N NC3 . C . . N 0 . . . 1 yes no . . . . 19.141 . 30.683 . 19.465 . 9.869 2.527 -0.955 38 . 4236 NAP C7N C7N C7N NC7 . C . . N 0 . . . 1 no no . . . . 18.652 . 32.050 . 19.414 . 10.961 3.021 -1.820 39 . 4236 NAP O7N O7N O7N NO7 . O . . N 0 . . . 1 no no . . . . 19.161 . 32.943 . 20.102 . 11.430 2.299 -2.678 40 . 4236 NAP N7N N7N N7N NN7 . N . . N 0 . . . 1 no no . . . . 17.622 . 32.390 . 18.616 . 11.437 4.272 -1.658 41 . 4236 NAP C4N C4N C4N NC4 . C . . N 0 . . . 1 yes no . . . . 20.222 . 30.376 . 20.317 . 9.320 3.349 0.037 42 . 4236 NAP C5N C5N C5N NC5 . C . . N 0 . . . 1 yes no . . . . 20.746 . 29.139 . 20.435 . 8.300 2.840 0.821 43 . 4236 NAP C6N C6N C6N NC6 . C . . N 0 . . . 1 yes no . . . . 20.202 . 28.129 . 19.681 . 7.859 1.547 0.601 44 . 4236 NAP P2B P2B P2B AP2* . P . . N 0 . . . 1 no no . . . . 19.664 . 24.555 . 4.097 . -7.765 1.370 1.875 45 . 4236 NAP O1X O1X O1X AOP1 . O . . N 0 . . . 1 no no . . . . 21.117 . 24.360 . 4.404 . -7.226 0.774 3.119 46 . 4236 NAP O2X O2X O2X AOP2 . O . . N 0 . . . 1 no no . . . . 18.964 . 23.410 . 3.543 . -8.903 2.447 2.246 47 . 4236 NAP O3X O3X O3X AOP3 . O . . N 0 . . . 1 no no . . . . 19.391 . 25.798 . 3.381 . -8.402 0.211 0.957 48 . 4236 NAP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 19.207 . 26.645 . 12.372 . -1.053 -2.783 0.387 49 . 4236 NAP H51A H51A H51A AH51 . H . . N 0 . . . 0 no no . . . . 17.176 . 27.899 . 9.389 . -2.570 -0.610 1.343 50 . 4236 NAP H52A H52A H52A AH52 . H . . N 0 . . . 0 no no . . . . 18.702 . 27.579 . 9.819 . -1.633 0.843 1.767 51 . 4236 NAP H4B H4B H4B AH4* . H . . N 0 . . . 1 no no . . . . 17.494 . 25.243 . 8.784 . -2.714 2.037 -0.175 52 . 4236 NAP H3B H3B H3B AH3* . H . . N 0 . . . 1 no no . . . . 19.753 . 26.421 . 7.625 . -3.936 1.223 2.347 53 . 4236 NAP HO3A HO3A HO3A AHO3 . H . . N 0 . . . 0 no no . . . . 18.875 . 24.318 . 7.223 . -3.323 3.353 1.772 54 . 4236 NAP H2B H2B H2B AH2* . H . . N 0 . . . 1 no no . . . . 20.353 . 25.734 . 5.862 . -5.809 0.186 1.368 55 . 4236 NAP H1B H1B H1B AH1* . H . . N 0 . . . 1 no no . . . . 17.599 . 26.587 . 5.268 . -5.364 1.839 -1.182 56 . 4236 NAP H8A H8A H8A AH8 . H . . N 0 . . . 1 no no . . . . 21.025 . 28.369 . 6.923 . -5.087 -1.946 -0.899 57 . 4236 NAP H61A H61A H61A AH61 . H . . N 0 . . . 0 no no . . . . 20.840 . 31.816 . 1.780 . -9.265 -3.187 -2.985 58 . 4236 NAP H62A H62A H62A AH62 . H . . N 0 . . . 0 no no . . . . 21.774 . 30.755 . 2.625 . -10.638 -2.382 -3.521 59 . 4236 NAP H2A H2A H2A AH2 . H . . N 0 . . . 1 no no . . . . 17.008 . 29.257 . 1.793 . -9.932 2.037 -2.646 60 . 4236 NAP H51N H51N H51N NH51 . H . . N 0 . . . 0 no no . . . . 17.238 . 28.882 . 14.904 . 4.658 -3.148 0.970 61 . 4236 NAP H52N H52N H52N NH52 . H . . N 0 . . . 0 no no . . . . 16.269 . 28.869 . 16.277 . 4.819 -1.472 1.546 62 . 4236 NAP H4D H4D H4D NH4* . H . . N 0 . . . 1 no no . . . . 17.508 . 26.330 . 15.117 . 6.152 -2.577 -0.976 63 . 4236 NAP H3D H3D H3D NH3* . H . . N 0 . . . 1 no no . . . . 15.595 . 26.147 . 16.979 . 7.022 -2.385 1.913 64 . 4236 NAP HO3N HO3N HO3N NHO3 . H . . N 0 . . . 0 no no . . . . 16.654 . 24.330 . 17.987 . 8.387 -4.064 1.162 65 . 4236 NAP H2D H2D H2D NH2* . H . . N 0 . . . 1 no no . . . . 16.445 . 27.817 . 18.610 . 8.766 -0.948 1.427 66 . 4236 NAP HO2N HO2N HO2N NHO2 . H . . N 0 . . . 0 no no . . . . 17.233 . 26.679 . 20.370 . 9.874 -2.852 0.719 67 . 4236 NAP H1D H1D H1D NH1* . H . . N 0 . . . 1 no no . . . . 19.235 . 26.404 . 18.346 . 8.149 -0.927 -1.532 68 . 4236 NAP H2N H2N H2N NH2 . H . . N 0 . . . 1 no no . . . . 17.710 . 29.814 . 17.978 . 9.778 0.591 -1.876 69 . 4236 NAP H71N H71N H71N NH71 . H . . N 0 . . . 0 no no . . . . 17.202 . 31.653 . 18.048 . 12.153 4.595 -2.226 70 . 4236 NAP H72N H72N H72N NH72 . H . . N 0 . . . 0 no no . . . . 17.278 . 33.349 . 18.580 . 11.060 4.849 -0.976 71 . 4236 NAP H4N H4N H4N NH4 . H . . N 0 . . . 1 no no . . . . 20.691 . 31.159 . 20.935 . 9.684 4.355 0.187 72 . 4236 NAP H5N H5N H5N NH5 . H . . N 0 . . . 1 no no . . . . 21.589 . 28.959 . 21.123 . 7.853 3.445 1.596 73 . 4236 NAP H6N H6N H6N NH6 . H . . N 0 . . . 1 no no . . . . 20.635 . 27.119 . 19.775 . 7.063 1.146 1.211 74 . 4236 NAP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 19.427 . 23.300 . 2.721 . -9.594 1.970 2.725 75 . 4236 NAP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 19.854 . 25.688 . 2.559 . -8.740 0.640 0.160 76 . 4236 NAP 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 . DOUB PA O1A no N 1 . 4236 NAP 2 . SING PA O2A no N 2 . 4236 NAP 3 . SING PA O5B no N 3 . 4236 NAP 4 . SING PA O3 no N 4 . 4236 NAP 5 . SING O2A HOA2 no N 5 . 4236 NAP 6 . SING O5B C5B no N 6 . 4236 NAP 7 . SING C5B C4B no N 7 . 4236 NAP 8 . SING C5B H51A no N 8 . 4236 NAP 9 . SING C5B H52A no N 9 . 4236 NAP 10 . SING C4B O4B no N 10 . 4236 NAP 11 . SING C4B C3B no N 11 . 4236 NAP 12 . SING C4B H4B no N 12 . 4236 NAP 13 . SING O4B C1B no N 13 . 4236 NAP 14 . SING C3B O3B no N 14 . 4236 NAP 15 . SING C3B C2B no N 15 . 4236 NAP 16 . SING C3B H3B no N 16 . 4236 NAP 17 . SING O3B HO3A no N 17 . 4236 NAP 18 . SING C2B O2B no N 18 . 4236 NAP 19 . SING C2B C1B no N 19 . 4236 NAP 20 . SING C2B H2B no N 20 . 4236 NAP 21 . SING O2B P2B no N 21 . 4236 NAP 22 . SING C1B N9A no N 22 . 4236 NAP 23 . SING C1B H1B no N 23 . 4236 NAP 24 . SING N9A C8A yes N 24 . 4236 NAP 25 . SING N9A C4A yes N 25 . 4236 NAP 26 . DOUB C8A N7A yes N 26 . 4236 NAP 27 . SING C8A H8A no N 27 . 4236 NAP 28 . SING N7A C5A yes N 28 . 4236 NAP 29 . SING C5A C6A yes N 29 . 4236 NAP 30 . DOUB C5A C4A yes N 30 . 4236 NAP 31 . SING C6A N6A no N 31 . 4236 NAP 32 . DOUB C6A N1A yes N 32 . 4236 NAP 33 . SING N6A H61A no N 33 . 4236 NAP 34 . SING N6A H62A no N 34 . 4236 NAP 35 . SING N1A C2A yes N 35 . 4236 NAP 36 . DOUB C2A N3A yes N 36 . 4236 NAP 37 . SING C2A H2A no N 37 . 4236 NAP 38 . SING N3A C4A yes N 38 . 4236 NAP 39 . SING O3 PN no N 39 . 4236 NAP 40 . DOUB PN O1N no N 40 . 4236 NAP 41 . SING PN O2N no N 41 . 4236 NAP 42 . SING PN O5D no N 42 . 4236 NAP 43 . SING O5D C5D no N 43 . 4236 NAP 44 . SING C5D C4D no N 44 . 4236 NAP 45 . SING C5D H51N no N 45 . 4236 NAP 46 . SING C5D H52N no N 46 . 4236 NAP 47 . SING C4D O4D no N 47 . 4236 NAP 48 . SING C4D C3D no N 48 . 4236 NAP 49 . SING C4D H4D no N 49 . 4236 NAP 50 . SING O4D C1D no N 50 . 4236 NAP 51 . SING C3D O3D no N 51 . 4236 NAP 52 . SING C3D C2D no N 52 . 4236 NAP 53 . SING C3D H3D no N 53 . 4236 NAP 54 . SING O3D HO3N no N 54 . 4236 NAP 55 . SING C2D O2D no N 55 . 4236 NAP 56 . SING C2D C1D no N 56 . 4236 NAP 57 . SING C2D H2D no N 57 . 4236 NAP 58 . SING O2D HO2N no N 58 . 4236 NAP 59 . SING C1D N1N no N 59 . 4236 NAP 60 . SING C1D H1D no N 60 . 4236 NAP 61 . SING N1N C2N yes N 61 . 4236 NAP 62 . DOUB N1N C6N yes N 62 . 4236 NAP 63 . DOUB C2N C3N yes N 63 . 4236 NAP 64 . SING C2N H2N no N 64 . 4236 NAP 65 . SING C3N C7N no N 65 . 4236 NAP 66 . SING C3N C4N yes N 66 . 4236 NAP 67 . DOUB C7N O7N no N 67 . 4236 NAP 68 . SING C7N N7N no N 68 . 4236 NAP 69 . SING N7N H71N no N 69 . 4236 NAP 70 . SING N7N H72N no N 70 . 4236 NAP 71 . DOUB C4N C5N yes N 71 . 4236 NAP 72 . SING C4N H4N no N 72 . 4236 NAP 73 . SING C5N C6N yes N 73 . 4236 NAP 74 . SING C5N H5N no N 74 . 4236 NAP 75 . SING C6N H6N no N 75 . 4236 NAP 76 . DOUB P2B O1X no N 76 . 4236 NAP 77 . SING P2B O2X no N 77 . 4236 NAP 78 . SING P2B O3X no N 78 . 4236 NAP 79 . SING O2X HOP2 no N 79 . 4236 NAP 80 . SING O3X HOP3 no N 80 . 4236 NAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4236 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Proton-translocating nicotinamide nucleotide transhydrogenase domain III' '[U-13C; U-15N]' . . 1 $THIII . . 0.8 . . mM . . . . 4236 1 2 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' . . . 2 $entity_NAP . . 0.8 . . mM . . . . 4236 1 3 H2O . . . . . . . 90 . . % . . . . 4236 1 4 D2O . . . . . . . 10 . . % . . . . 4236 1 5 HEPES . . . . . . . 20 . . mM . . . . 4236 1 6 'sodium azide' . . . . . . . 0.01 . . '% (w/v)' . . . . 4236 1 7 'AEBSF protease inhibitor' . . . . . . . 20 . . uM . . . . 4236 1 8 NADP+ . . . . . . . 2 . . uM . . . . 4236 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4236 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . n/a 4236 1 temperature 303 . K 4236 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4236 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY-PLUS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4236 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one VARIAN UNITY-PLUS . 600 . . . 4236 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 4236 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4236 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4236 _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 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4236 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4236 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4236 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4236 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4236 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 13 13 PHE CA C 13 57.36 . . 1 . . . . . . . . 4236 1 2 . 1 1 13 13 PHE H H 1 8.24 . . 1 . . . . . . . . 4236 1 3 . 1 1 13 13 PHE N N 15 119.82 . . 1 . . . . . . . . 4236 1 4 . 1 1 13 13 PHE C C 13 176.46 . . 1 . . . . . . . . 4236 1 5 . 1 1 13 13 PHE HA H 1 4.66 . . 1 . . . . . . . . 4236 1 6 . 1 1 13 13 PHE CB C 13 39.71 . . 1 . . . . . . . . 4236 1 7 . 1 1 14 14 GLY N N 15 110.74 . . 1 . . . . . . . . 4236 1 8 . 1 1 14 14 GLY H H 1 8.51 . . 1 . . . . . . . . 4236 1 9 . 1 1 14 14 GLY CA C 13 45.25 . . 1 . . . . . . . . 4236 1 10 . 1 1 14 14 GLY HA2 H 1 4.60 . . 1 . . . . . . . . 4236 1 11 . 1 1 14 14 GLY HA3 H 1 4.60 . . 1 . . . . . . . . 4236 1 12 . 1 1 14 14 GLY C C 13 174.33 . . 1 . . . . . . . . 4236 1 13 . 1 1 15 15 SER N N 15 115.54 . . 1 . . . . . . . . 4236 1 14 . 1 1 15 15 SER H H 1 8.23 . . 1 . . . . . . . . 4236 1 15 . 1 1 15 15 SER CA C 13 58.49 . . 1 . . . . . . . . 4236 1 16 . 1 1 15 15 SER HA H 1 4.51 . . 1 . . . . . . . . 4236 1 17 . 1 1 15 15 SER C C 13 174.92 . . 1 . . . . . . . . 4236 1 18 . 1 1 15 15 SER CB C 13 63.52 . . 1 . . . . . . . . 4236 1 19 . 1 1 16 16 GLU C C 13 177.13 . . 1 . . . . . . . . 4236 1 20 . 1 1 16 16 GLU CB C 13 29.51 . . 1 . . . . . . . . 4236 1 21 . 1 1 16 16 GLU N N 15 122.62 . . 1 . . . . . . . . 4236 1 22 . 1 1 16 16 GLU H H 1 8.67 . . 1 . . . . . . . . 4236 1 23 . 1 1 16 16 GLU HA H 1 4.36 . . 1 . . . . . . . . 4236 1 24 . 1 1 16 16 GLU CA C 13 56.49 . . 1 . . . . . . . . 4236 1 25 . 1 1 17 17 GLY HA2 H 1 4.02 . . 1 . . . . . . . . 4236 1 26 . 1 1 17 17 GLY HA3 H 1 4.02 . . 1 . . . . . . . . 4236 1 27 . 1 1 17 17 GLY CA C 13 45.31 . . 1 . . . . . . . . 4236 1 28 . 1 1 17 17 GLY C C 13 174.74 . . 1 . . . . . . . . 4236 1 29 . 1 1 17 17 GLY N N 15 108.41 . . 1 . . . . . . . . 4236 1 30 . 1 1 17 17 GLY H H 1 8.44 . . 1 . . . . . . . . 4236 1 31 . 1 1 18 18 GLY H H 1 8.23 . . 1 . . . . . . . . 4236 1 32 . 1 1 18 18 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 4236 1 33 . 1 1 18 18 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 4236 1 34 . 1 1 18 18 GLY CA C 13 45.19 . . 1 . . . . . . . . 4236 1 35 . 1 1 18 18 GLY C C 13 174.23 . . 1 . . . . . . . . 4236 1 36 . 1 1 18 18 GLY N N 15 108.45 . . 1 . . . . . . . . 4236 1 37 . 1 1 19 19 VAL H H 1 8.01 . . 1 . . . . . . . . 4236 1 38 . 1 1 19 19 VAL HA H 1 4.15 . . 1 . . . . . . . . 4236 1 39 . 1 1 19 19 VAL CA C 13 62.19 . . 1 . . . . . . . . 4236 1 40 . 1 1 19 19 VAL C C 13 176.12 . . 1 . . . . . . . . 4236 1 41 . 1 1 19 19 VAL CB C 13 20.24 . . 1 . . . . . . . . 4236 1 42 . 1 1 19 19 VAL N N 15 119.10 . . 1 . . . . . . . . 4236 1 43 . 1 1 20 20 ALA H H 1 8.39 . . 1 . . . . . . . . 4236 1 44 . 1 1 20 20 ALA HA H 1 4.32 . . 1 . . . . . . . . 4236 1 45 . 1 1 20 20 ALA CA C 13 52.46 . . 1 . . . . . . . . 4236 1 46 . 1 1 20 20 ALA C C 13 177.56 . . 1 . . . . . . . . 4236 1 47 . 1 1 20 20 ALA CB C 13 18.38 . . 1 . . . . . . . . 4236 1 48 . 1 1 20 20 ALA N N 15 127.36 . . 1 . . . . . . . . 4236 1 49 . 1 1 21 21 ALA H H 1 8.20 . . 1 . . . . . . . . 4236 1 50 . 1 1 21 21 ALA HA H 1 4.31 . . 1 . . . . . . . . 4236 1 51 . 1 1 21 21 ALA CA C 13 52.35 . . 1 . . . . . . . . 4236 1 52 . 1 1 21 21 ALA C C 13 177.56 . . 1 . . . . . . . . 4236 1 53 . 1 1 21 21 ALA CB C 13 18.71 . . 1 . . . . . . . . 4236 1 54 . 1 1 21 21 ALA N N 15 123.29 . . 1 . . . . . . . . 4236 1 55 . 1 1 22 22 ALA N N 15 123.21 . . 1 . . . . . . . . 4236 1 56 . 1 1 22 22 ALA H H 1 8.26 . . 1 . . . . . . . . 4236 1 57 . 1 1 22 22 ALA HA H 1 4.32 . . 1 . . . . . . . . 4236 1 58 . 1 1 22 22 ALA CA C 13 52.46 . . 1 . . . . . . . . 4236 1 59 . 1 1 22 22 ALA C C 13 178.31 . . 1 . . . . . . . . 4236 1 60 . 1 1 22 22 ALA CB C 13 18.45 . . 1 . . . . . . . . 4236 1 61 . 1 1 23 23 GLY N N 15 107.78 . . 1 . . . . . . . . 4236 1 62 . 1 1 23 23 GLY H H 1 8.36 . . 1 . . . . . . . . 4236 1 63 . 1 1 23 23 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 4236 1 64 . 1 1 23 23 GLY HA3 H 1 3.99 . . 1 . . . . . . . . 4236 1 65 . 1 1 23 23 GLY CA C 13 45.31 . . 1 . . . . . . . . 4236 1 66 . 1 1 23 23 GLY C C 13 174.42 . . 1 . . . . . . . . 4236 1 67 . 1 1 24 24 GLY N N 15 107.95 . . 1 . . . . . . . . 4236 1 68 . 1 1 24 24 GLY H H 1 8.20 . . 1 . . . . . . . . 4236 1 69 . 1 1 24 24 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 4236 1 70 . 1 1 24 24 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 4236 1 71 . 1 1 24 24 GLY CA C 13 45.09 . . 1 . . . . . . . . 4236 1 72 . 1 1 24 24 GLY C C 13 174.04 . . 1 . . . . . . . . 4236 1 73 . 1 1 25 25 ALA N N 15 123.89 . . 1 . . . . . . . . 4236 1 74 . 1 1 25 25 ALA H H 1 8.28 . . 1 . . . . . . . . 4236 1 75 . 1 1 25 25 ALA HA H 1 4.37 . . 1 . . . . . . . . 4236 1 76 . 1 1 25 25 ALA CA C 13 52.18 . . 1 . . . . . . . . 4236 1 77 . 1 1 25 25 ALA C C 13 177.69 . . 1 . . . . . . . . 4236 1 78 . 1 1 25 25 ALA CB C 13 18.76 . . 1 . . . . . . . . 4236 1 79 . 1 1 26 26 ALA N N 15 122.99 . . 1 . . . . . . . . 4236 1 80 . 1 1 26 26 ALA H H 1 8.35 . . 1 . . . . . . . . 4236 1 81 . 1 1 26 26 ALA HA H 1 4.32 . . 1 . . . . . . . . 4236 1 82 . 1 1 26 26 ALA CA C 13 52.63 . . 1 . . . . . . . . 4236 1 83 . 1 1 26 26 ALA C C 13 178.37 . . 1 . . . . . . . . 4236 1 84 . 1 1 26 26 ALA CB C 13 18.40 . . 1 . . . . . . . . 4236 1 85 . 1 1 27 27 GLY N N 15 107.52 . . 1 . . . . . . . . 4236 1 86 . 1 1 27 27 GLY H H 1 8.26 . . 1 . . . . . . . . 4236 1 87 . 1 1 27 27 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4236 1 88 . 1 1 27 27 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 4236 1 89 . 1 1 27 27 GLY CA C 13 45.25 . . 1 . . . . . . . . 4236 1 90 . 1 1 27 27 GLY C C 13 173.99 . . 1 . . . . . . . . 4236 1 91 . 1 1 28 28 ASP N N 15 120.26 . . 1 . . . . . . . . 4236 1 92 . 1 1 28 28 ASP H H 1 8.22 . . 1 . . . . . . . . 4236 1 93 . 1 1 28 28 ASP HA H 1 4.64 . . 1 . . . . . . . . 4236 1 94 . 1 1 28 28 ASP CA C 13 54.36 . . 1 . . . . . . . . 4236 1 95 . 1 1 28 28 ASP C C 13 176.18 . . 1 . . . . . . . . 4236 1 96 . 1 1 28 28 ASP CB C 13 40.83 . . 1 . . . . . . . . 4236 1 97 . 1 1 29 29 ARG N N 15 120.90 . . 1 . . . . . . . . 4236 1 98 . 1 1 29 29 ARG H H 1 8.17 . . 1 . . . . . . . . 4236 1 99 . 1 1 29 29 ARG HA H 1 4.42 . . 1 . . . . . . . . 4236 1 100 . 1 1 29 29 ARG CA C 13 55.70 . . 1 . . . . . . . . 4236 1 101 . 1 1 29 29 ARG C C 13 175.55 . . 1 . . . . . . . . 4236 1 102 . 1 1 29 29 ARG CB C 13 30.80 . . 1 . . . . . . . . 4236 1 103 . 1 1 30 30 SER N N 15 117.05 . . 1 . . . . . . . . 4236 1 104 . 1 1 30 30 SER H H 1 8.51 . . 1 . . . . . . . . 4236 1 105 . 1 1 30 30 SER HA H 1 4.85 . . 1 . . . . . . . . 4236 1 106 . 1 1 30 30 SER CA C 13 57.94 . . 1 . . . . . . . . 4236 1 107 . 1 1 30 30 SER C C 13 173.67 . . 1 . . . . . . . . 4236 1 108 . 1 1 30 30 SER CB C 13 64.55 . . 1 . . . . . . . . 4236 1 109 . 1 1 31 31 VAL N N 15 118.26 . . 1 . . . . . . . . 4236 1 110 . 1 1 31 31 VAL H H 1 8.30 . . 1 . . . . . . . . 4236 1 111 . 1 1 31 31 VAL HA H 1 4.53 . . 1 . . . . . . . . 4236 1 112 . 1 1 31 31 VAL CA C 13 60.39 . . 1 . . . . . . . . 4236 1 113 . 1 1 31 31 VAL C C 13 175.55 . . 1 . . . . . . . . 4236 1 114 . 1 1 31 31 VAL CB C 13 33.57 . . 1 . . . . . . . . 4236 1 115 . 1 1 32 32 LYS N N 15 127.73 . . 1 . . . . . . . . 4236 1 116 . 1 1 32 32 LYS H H 1 9.31 . . 1 . . . . . . . . 4236 1 117 . 1 1 32 32 LYS HA H 1 4.57 . . 1 . . . . . . . . 4236 1 118 . 1 1 32 32 LYS CA C 13 55.59 . . 1 . . . . . . . . 4236 1 119 . 1 1 32 32 LYS C C 13 173.98 . . 1 . . . . . . . . 4236 1 120 . 1 1 32 32 LYS CB C 13 31.24 . . 1 . . . . . . . . 4236 1 121 . 1 1 33 33 ALA N N 15 129.10 . . 1 . . . . . . . . 4236 1 122 . 1 1 33 33 ALA H H 1 8.50 . . 1 . . . . . . . . 4236 1 123 . 1 1 33 33 ALA HA H 1 5.26 . . 1 . . . . . . . . 4236 1 124 . 1 1 33 33 ALA CA C 13 50.56 . . 1 . . . . . . . . 4236 1 125 . 1 1 33 33 ALA C C 13 177.93 . . 1 . . . . . . . . 4236 1 126 . 1 1 33 33 ALA CB C 13 20.04 . . 1 . . . . . . . . 4236 1 127 . 1 1 34 34 GLY N N 15 109.90 . . 1 . . . . . . . . 4236 1 128 . 1 1 34 34 GLY H H 1 8.67 . . 1 . . . . . . . . 4236 1 129 . 1 1 34 34 GLY HA2 H 1 4.81 . . 1 . . . . . . . . 4236 1 130 . 1 1 34 34 GLY HA3 H 1 4.81 . . 1 . . . . . . . . 4236 1 131 . 1 1 34 34 GLY C C 13 172.17 . . 1 . . . . . . . . 4236 1 132 . 1 1 35 35 SER N N 15 114.27 . . 1 . . . . . . . . 4236 1 133 . 1 1 35 35 SER H H 1 8.95 . . 1 . . . . . . . . 4236 1 134 . 1 1 35 35 SER HA H 1 4.98 . . 1 . . . . . . . . 4236 1 135 . 1 1 35 35 SER CA C 13 55.59 . . 1 . . . . . . . . 4236 1 136 . 1 1 35 35 SER C C 13 175.12 . . 1 . . . . . . . . 4236 1 137 . 1 1 35 35 SER CB C 13 67.40 . . 1 . . . . . . . . 4236 1 138 . 1 1 36 36 ALA N N 15 122.70 . . 1 . . . . . . . . 4236 1 139 . 1 1 36 36 ALA H H 1 9.13 . . 1 . . . . . . . . 4236 1 140 . 1 1 36 36 ALA HA H 1 3.94 . . 1 . . . . . . . . 4236 1 141 . 1 1 36 36 ALA CA C 13 55.37 . . 1 . . . . . . . . 4236 1 142 . 1 1 36 36 ALA C C 13 179.20 . . 1 . . . . . . . . 4236 1 143 . 1 1 36 36 ALA CB C 13 18.27 . . 1 . . . . . . . . 4236 1 144 . 1 1 37 37 GLU N N 15 115.47 . . 1 . . . . . . . . 4236 1 145 . 1 1 37 37 GLU H H 1 8.65 . . 1 . . . . . . . . 4236 1 146 . 1 1 37 37 GLU HA H 1 3.84 . . 1 . . . . . . . . 4236 1 147 . 1 1 37 37 GLU CA C 13 60.56 . . 1 . . . . . . . . 4236 1 148 . 1 1 37 37 GLU C C 13 179.37 . . 1 . . . . . . . . 4236 1 149 . 1 1 37 37 GLU CB C 13 28.17 . . 1 . . . . . . . . 4236 1 150 . 1 1 38 38 ASP N N 15 121.05 . . 1 . . . . . . . . 4236 1 151 . 1 1 38 38 ASP H H 1 7.83 . . 1 . . . . . . . . 4236 1 152 . 1 1 38 38 ASP HA H 1 4.51 . . 1 . . . . . . . . 4236 1 153 . 1 1 38 38 ASP CA C 13 57.39 . . 1 . . . . . . . . 4236 1 154 . 1 1 38 38 ASP C C 13 178.56 . . 1 . . . . . . . . 4236 1 155 . 1 1 38 38 ASP CB C 13 40.53 . . 1 . . . . . . . . 4236 1 156 . 1 1 39 39 ALA N N 15 120.44 . . 1 . . . . . . . . 4236 1 157 . 1 1 39 39 ALA H H 1 7.92 . . 1 . . . . . . . . 4236 1 158 . 1 1 39 39 ALA HA H 1 3.96 . . 1 . . . . . . . . 4236 1 159 . 1 1 39 39 ALA CA C 13 54.92 . . 1 . . . . . . . . 4236 1 160 . 1 1 39 39 ALA C C 13 178.44 . . 1 . . . . . . . . 4236 1 161 . 1 1 39 39 ALA CB C 13 18.78 . . 1 . . . . . . . . 4236 1 162 . 1 1 40 40 ALA N N 15 118.96 . . 1 . . . . . . . . 4236 1 163 . 1 1 40 40 ALA H H 1 8.48 . . 1 . . . . . . . . 4236 1 164 . 1 1 40 40 ALA HA H 1 3.84 . . 1 . . . . . . . . 4236 1 165 . 1 1 40 40 ALA CA C 13 55.20 . . 1 . . . . . . . . 4236 1 166 . 1 1 40 40 ALA C C 13 178.25 . . 1 . . . . . . . . 4236 1 167 . 1 1 40 40 ALA CB C 13 18.63 . . 1 . . . . . . . . 4236 1 168 . 1 1 41 41 PHE N N 15 116.78 . . 1 . . . . . . . . 4236 1 169 . 1 1 41 41 PHE H H 1 7.73 . . 1 . . . . . . . . 4236 1 170 . 1 1 41 41 PHE HA H 1 3.95 . . 1 . . . . . . . . 4236 1 171 . 1 1 41 41 PHE CA C 13 61.62 . . 1 . . . . . . . . 4236 1 172 . 1 1 41 41 PHE C C 13 178.01 . . 1 . . . . . . . . 4236 1 173 . 1 1 41 41 PHE CB C 13 38.47 . . 1 . . . . . . . . 4236 1 174 . 1 1 42 42 ILE N N 15 117.97 . . 1 . . . . . . . . 4236 1 175 . 1 1 42 42 ILE H H 1 7.99 . . 1 . . . . . . . . 4236 1 176 . 1 1 42 42 ILE HA H 1 3.62 . . 1 . . . . . . . . 4236 1 177 . 1 1 42 42 ILE CA C 13 64.42 . . 1 . . . . . . . . 4236 1 178 . 1 1 42 42 ILE C C 13 178.76 . . 1 . . . . . . . . 4236 1 179 . 1 1 42 42 ILE CB C 13 38.42 . . 1 . . . . . . . . 4236 1 180 . 1 1 43 43 MET N N 15 116.08 . . 1 . . . . . . . . 4236 1 181 . 1 1 43 43 MET H H 1 8.08 . . 1 . . . . . . . . 4236 1 182 . 1 1 43 43 MET HA H 1 3.89 . . 1 . . . . . . . . 4236 1 183 . 1 1 43 43 MET CA C 13 60.11 . . 1 . . . . . . . . 4236 1 184 . 1 1 43 43 MET C C 13 176.87 . . 1 . . . . . . . . 4236 1 185 . 1 1 43 43 MET CB C 13 33.52 . . 1 . . . . . . . . 4236 1 186 . 1 1 44 44 LYS N N 15 115.41 . . 1 . . . . . . . . 4236 1 187 . 1 1 44 44 LYS H H 1 8.19 . . 1 . . . . . . . . 4236 1 188 . 1 1 44 44 LYS HA H 1 3.82 . . 1 . . . . . . . . 4236 1 189 . 1 1 44 44 LYS CA C 13 59.17 . . 1 . . . . . . . . 4236 1 190 . 1 1 44 44 LYS C C 13 176.56 . . 1 . . . . . . . . 4236 1 191 . 1 1 44 44 LYS CB C 13 31.44 . . 1 . . . . . . . . 4236 1 192 . 1 1 45 45 ASN N N 15 113.12 . . 1 . . . . . . . . 4236 1 193 . 1 1 45 45 ASN H H 1 6.78 . . 1 . . . . . . . . 4236 1 194 . 1 1 45 45 ASN HA H 1 4.66 . . 1 . . . . . . . . 4236 1 195 . 1 1 45 45 ASN CA C 13 52.96 . . 1 . . . . . . . . 4236 1 196 . 1 1 45 45 ASN C C 13 173.67 . . 1 . . . . . . . . 4236 1 197 . 1 1 45 45 ASN CB C 13 39.29 . . 1 . . . . . . . . 4236 1 198 . 1 1 46 46 ALA N N 15 123.30 . . 1 . . . . . . . . 4236 1 199 . 1 1 46 46 ALA H H 1 7.12 . . 1 . . . . . . . . 4236 1 200 . 1 1 46 46 ALA HA H 1 4.34 . . 1 . . . . . . . . 4236 1 201 . 1 1 46 46 ALA CA C 13 51.45 . . 1 . . . . . . . . 4236 1 202 . 1 1 46 46 ALA C C 13 175.87 . . 1 . . . . . . . . 4236 1 203 . 1 1 46 46 ALA CB C 13 20.27 . . 1 . . . . . . . . 4236 1 204 . 1 1 47 47 SER N N 15 113.09 . . 1 . . . . . . . . 4236 1 205 . 1 1 47 47 SER H H 1 8.76 . . 1 . . . . . . . . 4236 1 206 . 1 1 47 47 SER HA H 1 4.85 . . 1 . . . . . . . . 4236 1 207 . 1 1 47 47 SER CA C 13 60.16 . . 1 . . . . . . . . 4236 1 208 . 1 1 47 47 SER C C 13 175.87 . . 1 . . . . . . . . 4236 1 209 . 1 1 47 47 SER CB C 13 63.61 . . 1 . . . . . . . . 4236 1 210 . 1 1 48 48 LYS C C 13 174.49 . . 1 . . . . . . . . 4236 1 211 . 1 1 48 48 LYS CB C 13 35.48 . . 1 . . . . . . . . 4236 1 212 . 1 1 48 48 LYS N N 15 124.21 . . 1 . . . . . . . . 4236 1 213 . 1 1 48 48 LYS H H 1 8.45 . . 1 . . . . . . . . 4236 1 214 . 1 1 48 48 LYS HA H 1 5.22 . . 1 . . . . . . . . 4236 1 215 . 1 1 48 48 LYS CA C 13 56.32 . . 1 . . . . . . . . 4236 1 216 . 1 1 49 49 VAL CA C 13 60.39 . . 1 . . . . . . . . 4236 1 217 . 1 1 49 49 VAL C C 13 174.24 . . 1 . . . . . . . . 4236 1 218 . 1 1 49 49 VAL CB C 13 35.10 . . 1 . . . . . . . . 4236 1 219 . 1 1 49 49 VAL N N 15 126.72 . . 1 . . . . . . . . 4236 1 220 . 1 1 49 49 VAL H H 1 8.88 . . 1 . . . . . . . . 4236 1 221 . 1 1 49 49 VAL HA H 1 4.83 . . 1 . . . . . . . . 4236 1 222 . 1 1 50 50 ILE CA C 13 59.73 . . 1 . . . . . . . . 4236 1 223 . 1 1 50 50 ILE C C 13 174.93 . . 1 . . . . . . . . 4236 1 224 . 1 1 50 50 ILE CB C 13 39.13 . . 1 . . . . . . . . 4236 1 225 . 1 1 50 50 ILE N N 15 124.33 . . 1 . . . . . . . . 4236 1 226 . 1 1 50 50 ILE H H 1 8.37 . . 1 . . . . . . . . 4236 1 227 . 1 1 50 50 ILE HA H 1 4.63 . . 1 . . . . . . . . 4236 1 228 . 1 1 51 51 ILE CA C 13 60.90 . . 1 . . . . . . . . 4236 1 229 . 1 1 51 51 ILE C C 13 174.99 . . 1 . . . . . . . . 4236 1 230 . 1 1 51 51 ILE CB C 13 38.20 . . 1 . . . . . . . . 4236 1 231 . 1 1 51 51 ILE N N 15 129.92 . . 1 . . . . . . . . 4236 1 232 . 1 1 51 51 ILE H H 1 9.45 . . 1 . . . . . . . . 4236 1 233 . 1 1 51 51 ILE HA H 1 4.74 . . 1 . . . . . . . . 4236 1 234 . 1 1 52 52 VAL CA C 13 59.16 . . 1 . . . . . . . . 4236 1 235 . 1 1 52 52 VAL CB C 13 33.09 . . 1 . . . . . . . . 4236 1 236 . 1 1 52 52 VAL N N 15 128.62 . . 1 . . . . . . . . 4236 1 237 . 1 1 52 52 VAL H H 1 9.65 . . 1 . . . . . . . . 4236 1 238 . 1 1 52 52 VAL HA H 1 5.08 . . 1 . . . . . . . . 4236 1 239 . 1 1 53 53 PRO CA C 13 60.95 . . 1 . . . . . . . . 4236 1 240 . 1 1 53 53 PRO C C 13 175.36 . . 1 . . . . . . . . 4236 1 241 . 1 1 53 53 PRO CB C 13 33.01 . . 1 . . . . . . . . 4236 1 242 . 1 1 53 53 PRO HA H 1 5.33 . . 1 . . . . . . . . 4236 1 243 . 1 1 54 54 GLY CA C 13 44.86 . . 1 . . . . . . . . 4236 1 244 . 1 1 54 54 GLY C C 13 175.24 . . 1 . . . . . . . . 4236 1 245 . 1 1 54 54 GLY N N 15 105.33 . . 1 . . . . . . . . 4236 1 246 . 1 1 54 54 GLY H H 1 7.35 . . 1 . . . . . . . . 4236 1 247 . 1 1 54 54 GLY HA2 H 1 4.88 . . 1 . . . . . . . . 4236 1 248 . 1 1 54 54 GLY HA3 H 1 4.88 . . 1 . . . . . . . . 4236 1 249 . 1 1 55 55 TYR CA C 13 61.06 . . 1 . . . . . . . . 4236 1 250 . 1 1 55 55 TYR C C 13 176.31 . . 1 . . . . . . . . 4236 1 251 . 1 1 55 55 TYR CB C 13 39.77 . . 1 . . . . . . . . 4236 1 252 . 1 1 55 55 TYR N N 15 119.74 . . 1 . . . . . . . . 4236 1 253 . 1 1 55 55 TYR H H 1 9.52 . . 1 . . . . . . . . 4236 1 254 . 1 1 55 55 TYR HA H 1 4.09 . . 1 . . . . . . . . 4236 1 255 . 1 1 56 56 GLY CA C 13 45.31 . . 1 . . . . . . . . 4236 1 256 . 1 1 56 56 GLY C C 13 174.49 . . 1 . . . . . . . . 4236 1 257 . 1 1 56 56 GLY N N 15 105.09 . . 1 . . . . . . . . 4236 1 258 . 1 1 56 56 GLY H H 1 10.12 . . 1 . . . . . . . . 4236 1 259 . 1 1 56 56 GLY HA2 H 1 2.10 . . 1 . . . . . . . . 4236 1 260 . 1 1 56 56 GLY HA3 H 1 2.32 . . 1 . . . . . . . . 4236 1 261 . 1 1 57 57 MET CA C 13 59.50 . . 1 . . . . . . . . 4236 1 262 . 1 1 57 57 MET C C 13 177.69 . . 1 . . . . . . . . 4236 1 263 . 1 1 57 57 MET CB C 13 32.43 . . 1 . . . . . . . . 4236 1 264 . 1 1 57 57 MET N N 15 117.31 . . 1 . . . . . . . . 4236 1 265 . 1 1 57 57 MET H H 1 7.88 . . 1 . . . . . . . . 4236 1 266 . 1 1 57 57 MET HA H 1 3.43 . . 1 . . . . . . . . 4236 1 267 . 1 1 58 58 ALA CA C 13 54.14 . . 1 . . . . . . . . 4236 1 268 . 1 1 58 58 ALA C C 13 180.51 . . 1 . . . . . . . . 4236 1 269 . 1 1 58 58 ALA CB C 13 18.15 . . 1 . . . . . . . . 4236 1 270 . 1 1 58 58 ALA N N 15 119.03 . . 1 . . . . . . . . 4236 1 271 . 1 1 58 58 ALA H H 1 6.95 . . 1 . . . . . . . . 4236 1 272 . 1 1 58 58 ALA HA H 1 3.94 . . 1 . . . . . . . . 4236 1 273 . 1 1 59 59 VAL CA C 13 65.65 . . 1 . . . . . . . . 4236 1 274 . 1 1 59 59 VAL C C 13 178.00 . . 1 . . . . . . . . 4236 1 275 . 1 1 59 59 VAL CB C 13 31.07 . . 1 . . . . . . . . 4236 1 276 . 1 1 59 59 VAL N N 15 118.90 . . 1 . . . . . . . . 4236 1 277 . 1 1 59 59 VAL H H 1 7.65 . . 1 . . . . . . . . 4236 1 278 . 1 1 59 59 VAL HA H 1 3.57 . . 1 . . . . . . . . 4236 1 279 . 1 1 60 60 ALA CA C 13 51.79 . . 1 . . . . . . . . 4236 1 280 . 1 1 60 60 ALA C C 13 176.61 . . 1 . . . . . . . . 4236 1 281 . 1 1 60 60 ALA CB C 13 21.18 . . 1 . . . . . . . . 4236 1 282 . 1 1 60 60 ALA N N 15 117.64 . . 1 . . . . . . . . 4236 1 283 . 1 1 60 60 ALA H H 1 7.18 . . 1 . . . . . . . . 4236 1 284 . 1 1 60 60 ALA HA H 1 4.57 . . 1 . . . . . . . . 4236 1 285 . 1 1 61 61 GLN CA C 13 56.15 . . 1 . . . . . . . . 4236 1 286 . 1 1 61 61 GLN C C 13 177.56 . . 1 . . . . . . . . 4236 1 287 . 1 1 61 61 GLN CB C 13 25.36 . . 1 . . . . . . . . 4236 1 288 . 1 1 61 61 GLN N N 15 114.52 . . 1 . . . . . . . . 4236 1 289 . 1 1 61 61 GLN H H 1 7.74 . . 1 . . . . . . . . 4236 1 290 . 1 1 61 61 GLN HA H 1 4.35 . . 1 . . . . . . . . 4236 1 291 . 1 1 62 62 ALA CA C 13 52.24 . . 1 . . . . . . . . 4236 1 292 . 1 1 62 62 ALA C C 13 176.12 . . 1 . . . . . . . . 4236 1 293 . 1 1 62 62 ALA CB C 13 18.62 . . 1 . . . . . . . . 4236 1 294 . 1 1 62 62 ALA N N 15 117.31 . . 1 . . . . . . . . 4236 1 295 . 1 1 62 62 ALA H H 1 7.88 . . 1 . . . . . . . . 4236 1 296 . 1 1 62 62 ALA HA H 1 4.32 . . 1 . . . . . . . . 4236 1 297 . 1 1 63 63 GLN H H 1 10.14 . . 1 . . . . . . . . 4236 1 298 . 1 1 63 63 GLN HA H 1 3.99 . . 1 . . . . . . . . 4236 1 299 . 1 1 63 63 GLN CA C 13 59.61 . . 1 . . . . . . . . 4236 1 300 . 1 1 63 63 GLN C C 13 174.93 . . 1 . . . . . . . . 4236 1 301 . 1 1 63 63 GLN CB C 13 25.12 . . 1 . . . . . . . . 4236 1 302 . 1 1 63 63 GLN N N 15 119.37 . . 1 . . . . . . . . 4236 1 303 . 1 1 64 64 HIS H H 1 7.23 . . 1 . . . . . . . . 4236 1 304 . 1 1 64 64 HIS HA H 1 4.44 . . 1 . . . . . . . . 4236 1 305 . 1 1 64 64 HIS CA C 13 59.50 . . 1 . . . . . . . . 4236 1 306 . 1 1 64 64 HIS C C 13 178.25 . . 1 . . . . . . . . 4236 1 307 . 1 1 64 64 HIS CB C 13 29.25 . . 1 . . . . . . . . 4236 1 308 . 1 1 64 64 HIS N N 15 121.06 . . 1 . . . . . . . . 4236 1 309 . 1 1 65 65 ALA H H 1 8.38 . . 1 . . . . . . . . 4236 1 310 . 1 1 65 65 ALA HA H 1 4.26 . . 1 . . . . . . . . 4236 1 311 . 1 1 65 65 ALA CA C 13 54.58 . . 1 . . . . . . . . 4236 1 312 . 1 1 65 65 ALA C C 13 179.06 . . 1 . . . . . . . . 4236 1 313 . 1 1 65 65 ALA CB C 13 17.03 . . 1 . . . . . . . . 4236 1 314 . 1 1 65 65 ALA N N 15 124.63 . . 1 . . . . . . . . 4236 1 315 . 1 1 66 66 LEU H H 1 8.36 . . 1 . . . . . . . . 4236 1 316 . 1 1 66 66 LEU HA H 1 3.99 . . 1 . . . . . . . . 4236 1 317 . 1 1 66 66 LEU CA C 13 57.27 . . 1 . . . . . . . . 4236 1 318 . 1 1 66 66 LEU C C 13 177.18 . . 1 . . . . . . . . 4236 1 319 . 1 1 66 66 LEU CB C 13 42.66 . . 1 . . . . . . . . 4236 1 320 . 1 1 66 66 LEU N N 15 117.54 . . 1 . . . . . . . . 4236 1 321 . 1 1 67 67 ARG H H 1 7.64 . . 1 . . . . . . . . 4236 1 322 . 1 1 67 67 ARG HA H 1 4.06 . . 1 . . . . . . . . 4236 1 323 . 1 1 67 67 ARG CA C 13 59.72 . . 1 . . . . . . . . 4236 1 324 . 1 1 67 67 ARG C C 13 178.88 . . 1 . . . . . . . . 4236 1 325 . 1 1 67 67 ARG CB C 13 27.11 . . 1 . . . . . . . . 4236 1 326 . 1 1 67 67 ARG N N 15 119.37 . . 1 . . . . . . . . 4236 1 327 . 1 1 68 68 GLU H H 1 7.97 . . 1 . . . . . . . . 4236 1 328 . 1 1 68 68 GLU HA H 1 4.05 . . 1 . . . . . . . . 4236 1 329 . 1 1 68 68 GLU CA C 13 59.95 . . 1 . . . . . . . . 4236 1 330 . 1 1 68 68 GLU C C 13 179.01 . . 1 . . . . . . . . 4236 1 331 . 1 1 68 68 GLU CB C 13 28.49 . . 1 . . . . . . . . 4236 1 332 . 1 1 68 68 GLU N N 15 119.04 . . 1 . . . . . . . . 4236 1 333 . 1 1 69 69 MET H H 1 8.24 . . 1 . . . . . . . . 4236 1 334 . 1 1 69 69 MET HA H 1 3.66 . . 1 . . . . . . . . 4236 1 335 . 1 1 69 69 MET CA C 13 59.56 . . 1 . . . . . . . . 4236 1 336 . 1 1 69 69 MET C C 13 177.87 . . 1 . . . . . . . . 4236 1 337 . 1 1 69 69 MET CB C 13 32.86 . . 1 . . . . . . . . 4236 1 338 . 1 1 69 69 MET N N 15 120.11 . . 1 . . . . . . . . 4236 1 339 . 1 1 70 70 ALA H H 1 8.55 . . 1 . . . . . . . . 4236 1 340 . 1 1 70 70 ALA HA H 1 3.76 . . 1 . . . . . . . . 4236 1 341 . 1 1 70 70 ALA CA C 13 55.70 . . 1 . . . . . . . . 4236 1 342 . 1 1 70 70 ALA C C 13 179.38 . . 1 . . . . . . . . 4236 1 343 . 1 1 70 70 ALA CB C 13 18.40 . . 1 . . . . . . . . 4236 1 344 . 1 1 70 70 ALA N N 15 122.09 . . 1 . . . . . . . . 4236 1 345 . 1 1 71 71 ASP H H 1 8.66 . . 1 . . . . . . . . 4236 1 346 . 1 1 71 71 ASP HA H 1 4.49 . . 1 . . . . . . . . 4236 1 347 . 1 1 71 71 ASP CA C 13 57.82 . . 1 . . . . . . . . 4236 1 348 . 1 1 71 71 ASP C C 13 180.07 . . 1 . . . . . . . . 4236 1 349 . 1 1 71 71 ASP CB C 13 39.47 . . 1 . . . . . . . . 4236 1 350 . 1 1 71 71 ASP N N 15 118.04 . . 1 . . . . . . . . 4236 1 351 . 1 1 72 72 VAL H H 1 7.95 . . 1 . . . . . . . . 4236 1 352 . 1 1 72 72 VAL HA H 1 3.72 . . 1 . . . . . . . . 4236 1 353 . 1 1 72 72 VAL CA C 13 66.76 . . 1 . . . . . . . . 4236 1 354 . 1 1 72 72 VAL C C 13 178.44 . . 1 . . . . . . . . 4236 1 355 . 1 1 72 72 VAL CB C 13 31.50 . . 1 . . . . . . . . 4236 1 356 . 1 1 72 72 VAL N N 15 122.29 . . 1 . . . . . . . . 4236 1 357 . 1 1 73 73 LEU H H 1 7.96 . . 1 . . . . . . . . 4236 1 358 . 1 1 73 73 LEU HA H 1 3.87 . . 1 . . . . . . . . 4236 1 359 . 1 1 73 73 LEU CA C 13 57.77 . . 1 . . . . . . . . 4236 1 360 . 1 1 73 73 LEU C C 13 179.51 . . 1 . . . . . . . . 4236 1 361 . 1 1 73 73 LEU CB C 13 40.45 . . 1 . . . . . . . . 4236 1 362 . 1 1 73 73 LEU N N 15 119.32 . . 1 . . . . . . . . 4236 1 363 . 1 1 74 74 LYS H H 1 8.95 . . 1 . . . . . . . . 4236 1 364 . 1 1 74 74 LYS HA H 1 4.42 . . 1 . . . . . . . . 4236 1 365 . 1 1 74 74 LYS CA C 13 60.17 . . 1 . . . . . . . . 4236 1 366 . 1 1 74 74 LYS C C 13 181.83 . . 1 . . . . . . . . 4236 1 367 . 1 1 74 74 LYS CB C 13 31.61 . . 1 . . . . . . . . 4236 1 368 . 1 1 74 74 LYS N N 15 119.34 . . 1 . . . . . . . . 4236 1 369 . 1 1 75 75 LYS H H 1 7.94 . . 1 . . . . . . . . 4236 1 370 . 1 1 75 75 LYS HA H 1 4.15 . . 1 . . . . . . . . 4236 1 371 . 1 1 75 75 LYS CA C 13 59.17 . . 1 . . . . . . . . 4236 1 372 . 1 1 75 75 LYS C C 13 178.37 . . 1 . . . . . . . . 4236 1 373 . 1 1 75 75 LYS CB C 13 31.28 . . 1 . . . . . . . . 4236 1 374 . 1 1 75 75 LYS N N 15 121.96 . . 1 . . . . . . . . 4236 1 375 . 1 1 76 76 GLU H H 1 7.61 . . 1 . . . . . . . . 4236 1 376 . 1 1 76 76 GLU HA H 1 4.42 . . 1 . . . . . . . . 4236 1 377 . 1 1 76 76 GLU CA C 13 55.59 . . 1 . . . . . . . . 4236 1 378 . 1 1 76 76 GLU C C 13 176.50 . . 1 . . . . . . . . 4236 1 379 . 1 1 76 76 GLU CB C 13 28.80 . . 1 . . . . . . . . 4236 1 380 . 1 1 76 76 GLU N N 15 117.10 . . 1 . . . . . . . . 4236 1 381 . 1 1 77 77 GLY H H 1 7.89 . . 1 . . . . . . . . 4236 1 382 . 1 1 77 77 GLY HA2 H 1 4.33 . . 1 . . . . . . . . 4236 1 383 . 1 1 77 77 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4236 1 384 . 1 1 77 77 GLY CA C 13 45.04 . . 1 . . . . . . . . 4236 1 385 . 1 1 77 77 GLY C C 13 173.98 . . 1 . . . . . . . . 4236 1 386 . 1 1 77 77 GLY N N 15 106.41 . . 1 . . . . . . . . 4236 1 387 . 1 1 78 78 VAL H H 1 7.88 . . 1 . . . . . . . . 4236 1 388 . 1 1 78 78 VAL HA H 1 3.64 . . 1 . . . . . . . . 4236 1 389 . 1 1 78 78 VAL CA C 13 62.85 . . 1 . . . . . . . . 4236 1 390 . 1 1 78 78 VAL C C 13 175.87 . . 1 . . . . . . . . 4236 1 391 . 1 1 78 78 VAL CB C 13 32.09 . . 1 . . . . . . . . 4236 1 392 . 1 1 78 78 VAL N N 15 124.12 . . 1 . . . . . . . . 4236 1 393 . 1 1 79 79 GLU H H 1 8.03 . . 1 . . . . . . . . 4236 1 394 . 1 1 79 79 GLU HA H 1 4.41 . . 1 . . . . . . . . 4236 1 395 . 1 1 79 79 GLU CA C 13 56.49 . . 1 . . . . . . . . 4236 1 396 . 1 1 79 79 GLU C C 13 175.05 . . 1 . . . . . . . . 4236 1 397 . 1 1 79 79 GLU CB C 13 29.69 . . 1 . . . . . . . . 4236 1 398 . 1 1 79 79 GLU N N 15 127.30 . . 1 . . . . . . . . 4236 1 399 . 1 1 80 80 VAL H H 1 8.14 . . 1 . . . . . . . . 4236 1 400 . 1 1 80 80 VAL HA H 1 5.06 . . 1 . . . . . . . . 4236 1 401 . 1 1 80 80 VAL CA C 13 60.95 . . 1 . . . . . . . . 4236 1 402 . 1 1 80 80 VAL C C 13 174.87 . . 1 . . . . . . . . 4236 1 403 . 1 1 80 80 VAL CB C 13 34.42 . . 1 . . . . . . . . 4236 1 404 . 1 1 80 80 VAL N N 15 125.74 . . 1 . . . . . . . . 4236 1 405 . 1 1 81 81 SER H H 1 7.70 . . 1 . . . . . . . . 4236 1 406 . 1 1 81 81 SER HA H 1 5.14 . . 1 . . . . . . . . 4236 1 407 . 1 1 81 81 SER CA C 13 56.71 . . 1 . . . . . . . . 4236 1 408 . 1 1 81 81 SER C C 13 171.35 . . 1 . . . . . . . . 4236 1 409 . 1 1 81 81 SER CB C 13 66.01 . . 1 . . . . . . . . 4236 1 410 . 1 1 81 81 SER N N 15 116.87 . . 1 . . . . . . . . 4236 1 411 . 1 1 82 82 TYR H H 1 9.46 . . 1 . . . . . . . . 4236 1 412 . 1 1 82 82 TYR HA H 1 5.52 . . 1 . . . . . . . . 4236 1 413 . 1 1 82 82 TYR CA C 13 56.54 . . 1 . . . . . . . . 4236 1 414 . 1 1 82 82 TYR C C 13 174.11 . . 1 . . . . . . . . 4236 1 415 . 1 1 82 82 TYR CB C 13 40.30 . . 1 . . . . . . . . 4236 1 416 . 1 1 82 82 TYR N N 15 129.68 . . 1 . . . . . . . . 4236 1 417 . 1 1 83 83 ALA H H 1 9.23 . . 1 . . . . . . . . 4236 1 418 . 1 1 83 83 ALA HA H 1 5.01 . . 1 . . . . . . . . 4236 1 419 . 1 1 83 83 ALA CA C 13 50.00 . . 1 . . . . . . . . 4236 1 420 . 1 1 83 83 ALA C C 13 175.11 . . 1 . . . . . . . . 4236 1 421 . 1 1 83 83 ALA CB C 13 23.03 . . 1 . . . . . . . . 4236 1 422 . 1 1 83 83 ALA N N 15 124.58 . . 1 . . . . . . . . 4236 1 423 . 1 1 84 84 ILE H H 1 9.01 . . 1 . . . . . . . . 4236 1 424 . 1 1 84 84 ILE HA H 1 4.53 . . 1 . . . . . . . . 4236 1 425 . 1 1 84 84 ILE CA C 13 57.94 . . 1 . . . . . . . . 4236 1 426 . 1 1 84 84 ILE C C 13 175.86 . . 1 . . . . . . . . 4236 1 427 . 1 1 84 84 ILE CB C 13 36.19 . . 1 . . . . . . . . 4236 1 428 . 1 1 84 84 ILE N N 15 122.12 . . 1 . . . . . . . . 4236 1 429 . 1 1 85 85 HIS H H 1 8.82 . . 1 . . . . . . . . 4236 1 430 . 1 1 85 85 HIS HA H 1 4.81 . . 1 . . . . . . . . 4236 1 431 . 1 1 85 85 HIS CA C 13 54.25 . . 1 . . . . . . . . 4236 1 432 . 1 1 85 85 HIS CB C 13 32.02 . . 1 . . . . . . . . 4236 1 433 . 1 1 85 85 HIS N N 15 130.44 . . 1 . . . . . . . . 4236 1 434 . 1 1 86 86 PRO CA C 13 65.20 . . 1 . . . . . . . . 4236 1 435 . 1 1 86 86 PRO C C 13 178.82 . . 1 . . . . . . . . 4236 1 436 . 1 1 86 86 PRO CB C 13 32.01 . . 1 . . . . . . . . 4236 1 437 . 1 1 87 87 VAL H H 1 10.62 . . 1 . . . . . . . . 4236 1 438 . 1 1 87 87 VAL HA H 1 4.83 . . 1 . . . . . . . . 4236 1 439 . 1 1 87 87 VAL CA C 13 60.06 . . 1 . . . . . . . . 4236 1 440 . 1 1 87 87 VAL C C 13 177.50 . . 1 . . . . . . . . 4236 1 441 . 1 1 87 87 VAL CB C 13 30.69 . . 1 . . . . . . . . 4236 1 442 . 1 1 87 87 VAL N N 15 113.35 . . 1 . . . . . . . . 4236 1 443 . 1 1 88 88 ALA H H 1 8.12 . . 1 . . . . . . . . 4236 1 444 . 1 1 88 88 ALA HA H 1 4.65 . . 1 . . . . . . . . 4236 1 445 . 1 1 88 88 ALA CA C 13 53.58 . . 1 . . . . . . . . 4236 1 446 . 1 1 88 88 ALA C C 13 180.20 . . 1 . . . . . . . . 4236 1 447 . 1 1 88 88 ALA CB C 13 18.87 . . 1 . . . . . . . . 4236 1 448 . 1 1 88 88 ALA N N 15 124.65 . . 1 . . . . . . . . 4236 1 449 . 1 1 89 89 GLY H H 1 10.21 . . 1 . . . . . . . . 4236 1 450 . 1 1 89 89 GLY CA C 13 45.25 . . 1 . . . . . . . . 4236 1 451 . 1 1 89 89 GLY C C 13 175.05 . . 1 . . . . . . . . 4236 1 452 . 1 1 89 89 GLY N N 15 108.33 . . 1 . . . . . . . . 4236 1 453 . 1 1 90 90 ARG H H 1 11.18 . . 1 . . . . . . . . 4236 1 454 . 1 1 90 90 ARG HA H 1 3.63 . . 1 . . . . . . . . 4236 1 455 . 1 1 90 90 ARG CA C 13 53.97 . . 1 . . . . . . . . 4236 1 456 . 1 1 90 90 ARG C C 13 174.29 . . 1 . . . . . . . . 4236 1 457 . 1 1 90 90 ARG CB C 13 31.71 . . 1 . . . . . . . . 4236 1 458 . 1 1 90 90 ARG N N 15 122.90 . . 1 . . . . . . . . 4236 1 459 . 1 1 91 91 MET H H 1 7.61 . . 1 . . . . . . . . 4236 1 460 . 1 1 91 91 MET HA H 1 4.98 . . 1 . . . . . . . . 4236 1 461 . 1 1 91 91 MET C C 13 174.00 . . 1 . . . . . . . . 4236 1 462 . 1 1 91 91 MET CA C 13 54.03 . . 1 . . . . . . . . 4236 1 463 . 1 1 91 91 MET CB C 13 33.11 . . 1 . . . . . . . . 4236 1 464 . 1 1 91 91 MET N N 15 118.19 . . 1 . . . . . . . . 4236 1 465 . 1 1 92 92 PRO HA H 1 4.77 . . 1 . . . . . . . . 4236 1 466 . 1 1 92 92 PRO CA C 13 64.08 . . 1 . . . . . . . . 4236 1 467 . 1 1 92 92 PRO C C 13 178.62 . . 1 . . . . . . . . 4236 1 468 . 1 1 92 92 PRO CB C 13 30.99 . . 1 . . . . . . . . 4236 1 469 . 1 1 93 93 GLY H H 1 9.42 . . 1 . . . . . . . . 4236 1 470 . 1 1 93 93 GLY HA2 H 1 4.10 . . 1 . . . . . . . . 4236 1 471 . 1 1 93 93 GLY HA3 H 1 4.10 . . 1 . . . . . . . . 4236 1 472 . 1 1 93 93 GLY CA C 13 46.65 . . 1 . . . . . . . . 4236 1 473 . 1 1 93 93 GLY C C 13 175.12 . . 1 . . . . . . . . 4236 1 474 . 1 1 93 93 GLY N N 15 114.12 . . 1 . . . . . . . . 4236 1 475 . 1 1 94 94 HIS H H 1 7.83 . . 1 . . . . . . . . 4236 1 476 . 1 1 94 94 HIS HA H 1 4.38 . . 1 . . . . . . . . 4236 1 477 . 1 1 94 94 HIS CA C 13 57.77 . . 1 . . . . . . . . 4236 1 478 . 1 1 94 94 HIS C C 13 178.31 . . 1 . . . . . . . . 4236 1 479 . 1 1 94 94 HIS CB C 13 34.01 . . 1 . . . . . . . . 4236 1 480 . 1 1 94 94 HIS N N 15 120.51 . . 1 . . . . . . . . 4236 1 481 . 1 1 95 95 MET H H 1 9.11 . . 1 . . . . . . . . 4236 1 482 . 1 1 95 95 MET HA H 1 4.25 . . 1 . . . . . . . . 4236 1 483 . 1 1 95 95 MET CA C 13 56.71 . . 1 . . . . . . . . 4236 1 484 . 1 1 95 95 MET C C 13 177.94 . . 1 . . . . . . . . 4236 1 485 . 1 1 95 95 MET CB C 13 34.55 . . 1 . . . . . . . . 4236 1 486 . 1 1 95 95 MET N N 15 111.13 . . 1 . . . . . . . . 4236 1 487 . 1 1 96 96 ASN H H 1 7.85 . . 1 . . . . . . . . 4236 1 488 . 1 1 96 96 ASN HA H 1 4.02 . . 1 . . . . . . . . 4236 1 489 . 1 1 96 96 ASN CA C 13 57.38 . . 1 . . . . . . . . 4236 1 490 . 1 1 96 96 ASN C C 13 178.44 . . 1 . . . . . . . . 4236 1 491 . 1 1 96 96 ASN CB C 13 37.43 . . 1 . . . . . . . . 4236 1 492 . 1 1 96 96 ASN N N 15 114.61 . . 1 . . . . . . . . 4236 1 493 . 1 1 97 97 VAL H H 1 7.81 . . 1 . . . . . . . . 4236 1 494 . 1 1 97 97 VAL HA H 1 3.83 . . 1 . . . . . . . . 4236 1 495 . 1 1 97 97 VAL CA C 13 65.87 . . 1 . . . . . . . . 4236 1 496 . 1 1 97 97 VAL C C 13 178.63 . . 1 . . . . . . . . 4236 1 497 . 1 1 97 97 VAL CB C 13 31.54 . . 1 . . . . . . . . 4236 1 498 . 1 1 97 97 VAL N N 15 117.56 . . 1 . . . . . . . . 4236 1 499 . 1 1 98 98 LEU H H 1 7.39 . . 1 . . . . . . . . 4236 1 500 . 1 1 98 98 LEU HA H 1 4.09 . . 1 . . . . . . . . 4236 1 501 . 1 1 98 98 LEU CA C 13 57.55 . . 1 . . . . . . . . 4236 1 502 . 1 1 98 98 LEU C C 13 179.07 . . 1 . . . . . . . . 4236 1 503 . 1 1 98 98 LEU CB C 13 41.46 . . 1 . . . . . . . . 4236 1 504 . 1 1 98 98 LEU N N 15 119.26 . . 1 . . . . . . . . 4236 1 505 . 1 1 99 99 LEU H H 1 8.05 . . 1 . . . . . . . . 4236 1 506 . 1 1 99 99 LEU HA H 1 3.79 . . 1 . . . . . . . . 4236 1 507 . 1 1 99 99 LEU CA C 13 57.79 . . 1 . . . . . . . . 4236 1 508 . 1 1 99 99 LEU C C 13 178.82 . . 1 . . . . . . . . 4236 1 509 . 1 1 99 99 LEU CB C 13 38.44 . . 1 . . . . . . . . 4236 1 510 . 1 1 99 99 LEU N N 15 116.54 . . 1 . . . . . . . . 4236 1 511 . 1 1 100 100 ALA H H 1 7.69 . . 1 . . . . . . . . 4236 1 512 . 1 1 100 100 ALA HA H 1 4.16 . . 1 . . . . . . . . 4236 1 513 . 1 1 100 100 ALA CA C 13 55.25 . . 1 . . . . . . . . 4236 1 514 . 1 1 100 100 ALA C C 13 182.65 . . 1 . . . . . . . . 4236 1 515 . 1 1 100 100 ALA CB C 13 16.99 . . 1 . . . . . . . . 4236 1 516 . 1 1 100 100 ALA N N 15 121.14 . . 1 . . . . . . . . 4236 1 517 . 1 1 101 101 GLU H H 1 7.95 . . 1 . . . . . . . . 4236 1 518 . 1 1 101 101 GLU HA H 1 4.07 . . 1 . . . . . . . . 4236 1 519 . 1 1 101 101 GLU CA C 13 59.05 . . 1 . . . . . . . . 4236 1 520 . 1 1 101 101 GLU C C 13 177.43 . . 1 . . . . . . . . 4236 1 521 . 1 1 101 101 GLU CB C 13 28.97 . . 1 . . . . . . . . 4236 1 522 . 1 1 101 101 GLU N N 15 120.81 . . 1 . . . . . . . . 4236 1 523 . 1 1 102 102 ALA H H 1 7.07 . . 1 . . . . . . . . 4236 1 524 . 1 1 102 102 ALA HA H 1 4.56 . . 1 . . . . . . . . 4236 1 525 . 1 1 102 102 ALA CA C 13 51.17 . . 1 . . . . . . . . 4236 1 526 . 1 1 102 102 ALA C C 13 175.68 . . 1 . . . . . . . . 4236 1 527 . 1 1 102 102 ALA CB C 13 18.43 . . 1 . . . . . . . . 4236 1 528 . 1 1 102 102 ALA N N 15 18.28 . . 1 . . . . . . . . 4236 1 529 . 1 1 103 103 ASN H H 1 8.01 . . 1 . . . . . . . . 4236 1 530 . 1 1 103 103 ASN HA H 1 4.29 . . 1 . . . . . . . . 4236 1 531 . 1 1 103 103 ASN CA C 13 54.19 . . 1 . . . . . . . . 4236 1 532 . 1 1 103 103 ASN C C 13 175.17 . . 1 . . . . . . . . 4236 1 533 . 1 1 103 103 ASN CB C 13 36.43 . . 1 . . . . . . . . 4236 1 534 . 1 1 103 103 ASN N N 15 112.58 . . 1 . . . . . . . . 4236 1 535 . 1 1 104 104 VAL H H 1 7.60 . . 1 . . . . . . . . 4236 1 536 . 1 1 104 104 VAL HA H 1 3.78 . . 1 . . . . . . . . 4236 1 537 . 1 1 104 104 VAL CA C 13 61.40 . . 1 . . . . . . . . 4236 1 538 . 1 1 104 104 VAL CB C 13 31.81 . . 1 . . . . . . . . 4236 1 539 . 1 1 104 104 VAL N N 15 121.22 . . 1 . . . . . . . . 4236 1 540 . 1 1 105 105 PRO HA H 1 4.28 . . 1 . . . . . . . . 4236 1 541 . 1 1 105 105 PRO CA C 13 62.85 . . 1 . . . . . . . . 4236 1 542 . 1 1 105 105 PRO C C 13 177.81 . . 1 . . . . . . . . 4236 1 543 . 1 1 105 105 PRO CB C 13 32.10 . . 1 . . . . . . . . 4236 1 544 . 1 1 106 106 TYR H H 1 8.20 . . 1 . . . . . . . . 4236 1 545 . 1 1 106 106 TYR HA H 1 3.98 . . 1 . . . . . . . . 4236 1 546 . 1 1 106 106 TYR CA C 13 61.23 . . 1 . . . . . . . . 4236 1 547 . 1 1 106 106 TYR C C 13 177.56 . . 1 . . . . . . . . 4236 1 548 . 1 1 106 106 TYR CB C 13 37.46 . . 1 . . . . . . . . 4236 1 549 . 1 1 106 106 TYR N N 15 122.41 . . 1 . . . . . . . . 4236 1 550 . 1 1 107 107 ASP H H 1 8.10 . . 1 . . . . . . . . 4236 1 551 . 1 1 107 107 ASP HA H 1 4.28 . . 1 . . . . . . . . 4236 1 552 . 1 1 107 107 ASP CA C 13 54.42 . . 1 . . . . . . . . 4236 1 553 . 1 1 107 107 ASP C C 13 176.43 . . 1 . . . . . . . . 4236 1 554 . 1 1 107 107 ASP CB C 13 38.89 . . 1 . . . . . . . . 4236 1 555 . 1 1 107 107 ASP N N 15 114.19 . . 1 . . . . . . . . 4236 1 556 . 1 1 108 108 GLU H H 1 7.41 . . 1 . . . . . . . . 4236 1 557 . 1 1 108 108 GLU HA H 1 4.68 . . 1 . . . . . . . . 4236 1 558 . 1 1 108 108 GLU CA C 13 55.87 . . 1 . . . . . . . . 4236 1 559 . 1 1 108 108 GLU C C 13 174.05 . . 1 . . . . . . . . 4236 1 560 . 1 1 108 108 GLU CB C 13 30.10 . . 1 . . . . . . . . 4236 1 561 . 1 1 108 108 GLU N N 15 116.61 . . 1 . . . . . . . . 4236 1 562 . 1 1 109 109 VAL H H 1 7.05 . . 1 . . . . . . . . 4236 1 563 . 1 1 109 109 VAL HA H 1 4.28 . . 1 . . . . . . . . 4236 1 564 . 1 1 109 109 VAL CA C 13 62.63 . . 1 . . . . . . . . 4236 1 565 . 1 1 109 109 VAL C C 13 174.61 . . 1 . . . . . . . . 4236 1 566 . 1 1 109 109 VAL CB C 13 31.86 . . 1 . . . . . . . . 4236 1 567 . 1 1 109 109 VAL N N 15 120.80 . . 1 . . . . . . . . 4236 1 568 . 1 1 110 110 PHE H H 1 8.93 . . 1 . . . . . . . . 4236 1 569 . 1 1 110 110 PHE HA H 1 4.85 . . 1 . . . . . . . . 4236 1 570 . 1 1 110 110 PHE CA C 13 56.59 . . 1 . . . . . . . . 4236 1 571 . 1 1 110 110 PHE C C 13 174.49 . . 1 . . . . . . . . 4236 1 572 . 1 1 110 110 PHE CB C 13 43.75 . . 1 . . . . . . . . 4236 1 573 . 1 1 110 110 PHE N N 15 125.06 . . 1 . . . . . . . . 4236 1 574 . 1 1 111 111 GLU H H 1 9.05 . . 1 . . . . . . . . 4236 1 575 . 1 1 111 111 GLU HA H 1 4.78 . . 1 . . . . . . . . 4236 1 576 . 1 1 111 111 GLU CA C 13 55.36 . . 1 . . . . . . . . 4236 1 577 . 1 1 111 111 GLU C C 13 174.36 . . 1 . . . . . . . . 4236 1 578 . 1 1 111 111 GLU CB C 13 30.63 . . 1 . . . . . . . . 4236 1 579 . 1 1 111 111 GLU N N 15 120.43 . . 1 . . . . . . . . 4236 1 580 . 1 1 112 112 LEU H H 1 7.63 . . 1 . . . . . . . . 4236 1 581 . 1 1 112 112 LEU HA H 1 3.76 . . 1 . . . . . . . . 4236 1 582 . 1 1 112 112 LEU CA C 13 60.29 . . 1 . . . . . . . . 4236 1 583 . 1 1 112 112 LEU C C 13 176.93 . . 1 . . . . . . . . 4236 1 584 . 1 1 112 112 LEU CB C 13 43.80 . . 1 . . . . . . . . 4236 1 585 . 1 1 112 112 LEU N N 15 121.71 . . 1 . . . . . . . . 4236 1 586 . 1 1 113 113 GLU H H 1 9.30 . . 1 . . . . . . . . 4236 1 587 . 1 1 113 113 GLU HA H 1 4.05 . . 1 . . . . . . . . 4236 1 588 . 1 1 113 113 GLU CA C 13 59.89 . . 1 . . . . . . . . 4236 1 589 . 1 1 113 113 GLU C C 13 178.56 . . 1 . . . . . . . . 4236 1 590 . 1 1 113 113 GLU CB C 13 28.59 . . 1 . . . . . . . . 4236 1 591 . 1 1 113 113 GLU N N 15 116.83 . . 1 . . . . . . . . 4236 1 592 . 1 1 114 114 GLU H H 1 7.89 . . 1 . . . . . . . . 4236 1 593 . 1 1 114 114 GLU HA H 1 4.42 . . 1 . . . . . . . . 4236 1 594 . 1 1 114 114 GLU CA C 13 57.49 . . 1 . . . . . . . . 4236 1 595 . 1 1 114 114 GLU C C 13 177.56 . . 1 . . . . . . . . 4236 1 596 . 1 1 114 114 GLU CB C 13 30.45 . . 1 . . . . . . . . 4236 1 597 . 1 1 114 114 GLU N N 15 116.00 . . 1 . . . . . . . . 4236 1 598 . 1 1 115 115 ILE H H 1 7.77 . . 1 . . . . . . . . 4236 1 599 . 1 1 115 115 ILE HA H 1 4.38 . . 1 . . . . . . . . 4236 1 600 . 1 1 115 115 ILE CA C 13 58.49 . . 1 . . . . . . . . 4236 1 601 . 1 1 115 115 ILE C C 13 176.75 . . 1 . . . . . . . . 4236 1 602 . 1 1 115 115 ILE CB C 13 40.80 . . 1 . . . . . . . . 4236 1 603 . 1 1 115 115 ILE N N 15 116.75 . . 1 . . . . . . . . 4236 1 604 . 1 1 116 116 ASN N N 15 123.20 . . 1 . . . . . . . . 4236 1 605 . 1 1 116 116 ASN H H 1 8.08 . . 1 . . . . . . . . 4236 1 606 . 1 1 116 116 ASN HA H 1 5.22 . . 1 . . . . . . . . 4236 1 607 . 1 1 116 116 ASN CA C 13 55.13 . . 1 . . . . . . . . 4236 1 608 . 1 1 116 116 ASN C C 13 179.19 . . 1 . . . . . . . . 4236 1 609 . 1 1 116 116 ASN CB C 13 36.97 . . 1 . . . . . . . . 4236 1 610 . 1 1 117 117 SER N N 15 112.04 . . 1 . . . . . . . . 4236 1 611 . 1 1 117 117 SER H H 1 8.55 . . 1 . . . . . . . . 4236 1 612 . 1 1 117 117 SER HA H 1 4.42 . . 1 . . . . . . . . 4236 1 613 . 1 1 117 117 SER CA C 13 60.28 . . 1 . . . . . . . . 4236 1 614 . 1 1 117 117 SER C C 13 175.69 . . 1 . . . . . . . . 4236 1 615 . 1 1 117 117 SER CB C 13 62.30 . . 1 . . . . . . . . 4236 1 616 . 1 1 118 118 SER N N 15 114.69 . . 1 . . . . . . . . 4236 1 617 . 1 1 118 118 SER H H 1 8.24 . . 1 . . . . . . . . 4236 1 618 . 1 1 118 118 SER HA H 1 4.35 . . 1 . . . . . . . . 4236 1 619 . 1 1 118 118 SER CA C 13 59.78 . . 1 . . . . . . . . 4236 1 620 . 1 1 118 118 SER C C 13 176.62 . . 1 . . . . . . . . 4236 1 621 . 1 1 118 118 SER CB C 13 63.01 . . 1 . . . . . . . . 4236 1 622 . 1 1 119 119 PHE N N 15 119.30 . . 1 . . . . . . . . 4236 1 623 . 1 1 119 119 PHE H H 1 7.26 . . 1 . . . . . . . . 4236 1 624 . 1 1 119 119 PHE HA H 1 3.90 . . 1 . . . . . . . . 4236 1 625 . 1 1 119 119 PHE CA C 13 63.63 . . 1 . . . . . . . . 4236 1 626 . 1 1 119 119 PHE C C 13 177.06 . . 1 . . . . . . . . 4236 1 627 . 1 1 119 119 PHE CB C 13 39.27 . . 1 . . . . . . . . 4236 1 628 . 1 1 120 120 GLN N N 15 112.01 . . 1 . . . . . . . . 4236 1 629 . 1 1 120 120 GLN H H 1 8.05 . . 1 . . . . . . . . 4236 1 630 . 1 1 120 120 GLN HA H 1 4.16 . . 1 . . . . . . . . 4236 1 631 . 1 1 120 120 GLN CA C 13 57.43 . . 1 . . . . . . . . 4236 1 632 . 1 1 120 120 GLN C C 13 176.31 . . 1 . . . . . . . . 4236 1 633 . 1 1 120 120 GLN CB C 13 28.10 . . 1 . . . . . . . . 4236 1 634 . 1 1 121 121 THR N N 15 106.71 . . 1 . . . . . . . . 4236 1 635 . 1 1 121 121 THR H H 1 7.28 . . 1 . . . . . . . . 4236 1 636 . 1 1 121 121 THR HA H 1 4.53 . . 1 . . . . . . . . 4236 1 637 . 1 1 121 121 THR CA C 13 60.28 . . 1 . . . . . . . . 4236 1 638 . 1 1 121 121 THR C C 13 173.54 . . 1 . . . . . . . . 4236 1 639 . 1 1 121 121 THR CB C 13 68.85 . . 1 . . . . . . . . 4236 1 640 . 1 1 122 122 ALA N N 15 124.68 . . 1 . . . . . . . . 4236 1 641 . 1 1 122 122 ALA H H 1 7.66 . . 1 . . . . . . . . 4236 1 642 . 1 1 122 122 ALA HA H 1 4.25 . . 1 . . . . . . . . 4236 1 643 . 1 1 122 122 ALA CA C 13 51.45 . . 1 . . . . . . . . 4236 1 644 . 1 1 122 122 ALA C C 13 176.87 . . 1 . . . . . . . . 4236 1 645 . 1 1 122 122 ALA CB C 13 18.31 . . 1 . . . . . . . . 4236 1 646 . 1 1 123 123 ASP N N 15 121.86 . . 1 . . . . . . . . 4236 1 647 . 1 1 123 123 ASP H H 1 8.54 . . 1 . . . . . . . . 4236 1 648 . 1 1 123 123 ASP HA H 1 4.76 . . 1 . . . . . . . . 4236 1 649 . 1 1 123 123 ASP CA C 13 56.59 . . 1 . . . . . . . . 4236 1 650 . 1 1 123 123 ASP C C 13 177.25 . . 1 . . . . . . . . 4236 1 651 . 1 1 123 123 ASP CB C 13 42.24 . . 1 . . . . . . . . 4236 1 652 . 1 1 124 124 VAL N N 15 114.46 . . 1 . . . . . . . . 4236 1 653 . 1 1 124 124 VAL H H 1 7.51 . . 1 . . . . . . . . 4236 1 654 . 1 1 124 124 VAL HA H 1 5.30 . . 1 . . . . . . . . 4236 1 655 . 1 1 124 124 VAL CA C 13 59.72 . . 1 . . . . . . . . 4236 1 656 . 1 1 124 124 VAL C C 13 174.42 . . 1 . . . . . . . . 4236 1 657 . 1 1 124 124 VAL CB C 13 37.11 . . 1 . . . . . . . . 4236 1 658 . 1 1 125 125 ALA N N 15 128.41 . . 1 . . . . . . . . 4236 1 659 . 1 1 125 125 ALA H H 1 8.67 . . 1 . . . . . . . . 4236 1 660 . 1 1 125 125 ALA HA H 1 5.51 . . 1 . . . . . . . . 4236 1 661 . 1 1 125 125 ALA CA C 13 49.78 . . 1 . . . . . . . . 4236 1 662 . 1 1 125 125 ALA C C 13 173.74 . . 1 . . . . . . . . 4236 1 663 . 1 1 125 125 ALA CB C 13 19.54 . . 1 . . . . . . . . 4236 1 664 . 1 1 126 126 PHE N N 15 127.99 . . 1 . . . . . . . . 4236 1 665 . 1 1 126 126 PHE H H 1 9.42 . . 1 . . . . . . . . 4236 1 666 . 1 1 126 126 PHE HA H 1 4.64 . . 1 . . . . . . . . 4236 1 667 . 1 1 126 126 PHE CA C 13 56.76 . . 1 . . . . . . . . 4236 1 668 . 1 1 126 126 PHE C C 13 172.11 . . 1 . . . . . . . . 4236 1 669 . 1 1 126 126 PHE CB C 13 39.50 . . 1 . . . . . . . . 4236 1 670 . 1 1 127 127 VAL N N 15 130.13 . . 1 . . . . . . . . 4236 1 671 . 1 1 127 127 VAL H H 1 9.34 . . 1 . . . . . . . . 4236 1 672 . 1 1 127 127 VAL HA H 1 4.56 . . 1 . . . . . . . . 4236 1 673 . 1 1 127 127 VAL CA C 13 61.68 . . 1 . . . . . . . . 4236 1 674 . 1 1 127 127 VAL C C 13 173.73 . . 1 . . . . . . . . 4236 1 675 . 1 1 127 127 VAL CB C 13 29.60 . . 1 . . . . . . . . 4236 1 676 . 1 1 128 128 ILE N N 15 123.89 . . 1 . . . . . . . . 4236 1 677 . 1 1 128 128 ILE H H 1 8.54 . . 1 . . . . . . . . 4236 1 678 . 1 1 128 128 ILE HA H 1 4.64 . . 1 . . . . . . . . 4236 1 679 . 1 1 128 128 ILE CA C 13 56.82 . . 1 . . . . . . . . 4236 1 680 . 1 1 128 128 ILE C C 13 174.61 . . 1 . . . . . . . . 4236 1 681 . 1 1 128 128 ILE CB C 13 38.82 . . 1 . . . . . . . . 4236 1 682 . 1 1 129 129 GLY N N 15 112.69 . . 1 . . . . . . . . 4236 1 683 . 1 1 129 129 GLY H H 1 8.83 . . 1 . . . . . . . . 4236 1 684 . 1 1 129 129 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 4236 1 685 . 1 1 129 129 GLY HA3 H 1 3.43 . . 1 . . . . . . . . 4236 1 686 . 1 1 129 129 GLY CA C 13 46.15 . . 1 . . . . . . . . 4236 1 687 . 1 1 129 129 GLY C C 13 171.04 . . 1 . . . . . . . . 4236 1 688 . 1 1 130 130 ALA N N 15 117.93 . . 1 . . . . . . . . 4236 1 689 . 1 1 130 130 ALA H H 1 6.95 . . 1 . . . . . . . . 4236 1 690 . 1 1 130 130 ALA HA H 1 5.44 . . 1 . . . . . . . . 4236 1 691 . 1 1 130 130 ALA CA C 13 49.22 . . 1 . . . . . . . . 4236 1 692 . 1 1 130 130 ALA C C 13 176.25 . . 1 . . . . . . . . 4236 1 693 . 1 1 130 130 ALA CB C 13 20.65 . . 1 . . . . . . . . 4236 1 694 . 1 1 131 131 ASN N N 15 114.90 . . 1 . . . . . . . . 4236 1 695 . 1 1 131 131 ASN H H 1 10.66 . . 1 . . . . . . . . 4236 1 696 . 1 1 131 131 ASN HA H 1 4.67 . . 1 . . . . . . . . 4236 1 697 . 1 1 131 131 ASN CA C 13 56.08 . . 1 . . . . . . . . 4236 1 698 . 1 1 131 131 ASN C C 13 176.25 . . 1 . . . . . . . . 4236 1 699 . 1 1 131 131 ASN CB C 13 38.92 . . 1 . . . . . . . . 4236 1 700 . 1 1 132 132 ASP N N 15 127.81 . . 1 . . . . . . . . 4236 1 701 . 1 1 132 132 ASP H H 1 10.81 . . 1 . . . . . . . . 4236 1 702 . 1 1 132 132 ASP HA H 1 4.52 . . 1 . . . . . . . . 4236 1 703 . 1 1 132 132 ASP CA C 13 58.94 . . 1 . . . . . . . . 4236 1 704 . 1 1 132 132 ASP C C 13 177.75 . . 1 . . . . . . . . 4236 1 705 . 1 1 132 132 ASP CB C 13 39.70 . . 1 . . . . . . . . 4236 1 706 . 1 1 133 133 VAL N N 15 102.54 . . 1 . . . . . . . . 4236 1 707 . 1 1 133 133 VAL H H 1 7.11 . . 1 . . . . . . . . 4236 1 708 . 1 1 133 133 VAL HA H 1 3.86 . . 1 . . . . . . . . 4236 1 709 . 1 1 133 133 VAL CA C 13 63.85 . . 1 . . . . . . . . 4236 1 710 . 1 1 133 133 VAL C C 13 174.17 . . 1 . . . . . . . . 4236 1 711 . 1 1 133 133 VAL CB C 13 30.47 . . 1 . . . . . . . . 4236 1 712 . 1 1 134 134 THR N N 15 108.18 . . 1 . . . . . . . . 4236 1 713 . 1 1 134 134 THR H H 1 8.07 . . 1 . . . . . . . . 4236 1 714 . 1 1 134 134 THR HA H 1 4.90 . . 1 . . . . . . . . 4236 1 715 . 1 1 134 134 THR CA C 13 61.28 . . 1 . . . . . . . . 4236 1 716 . 1 1 134 134 THR C C 13 174.11 . . 1 . . . . . . . . 4236 1 717 . 1 1 134 134 THR CB C 13 70.88 . . 1 . . . . . . . . 4236 1 718 . 1 1 135 135 ASN N N 15 120.44 . . 1 . . . . . . . . 4236 1 719 . 1 1 135 135 ASN H H 1 7.13 . . 1 . . . . . . . . 4236 1 720 . 1 1 135 135 ASN HA H 1 4.62 . . 1 . . . . . . . . 4236 1 721 . 1 1 135 135 ASN CA C 13 52.12 . . 1 . . . . . . . . 4236 1 722 . 1 1 135 135 ASN CB C 13 38.91 . . 1 . . . . . . . . 4236 1 723 . 1 1 136 136 PRO HA H 1 4.37 . . 1 . . . . . . . . 4236 1 724 . 1 1 136 136 PRO CA C 13 64.53 . . 1 . . . . . . . . 4236 1 725 . 1 1 136 136 PRO C C 13 178.43 . . 1 . . . . . . . . 4236 1 726 . 1 1 136 136 PRO CB C 13 31.51 . . 1 . . . . . . . . 4236 1 727 . 1 1 137 137 ALA N N 15 126.07 . . 1 . . . . . . . . 4236 1 728 . 1 1 137 137 ALA H H 1 8.79 . . 1 . . . . . . . . 4236 1 729 . 1 1 137 137 ALA HA H 1 4.45 . . 1 . . . . . . . . 4236 1 730 . 1 1 137 137 ALA CA C 13 54.58 . . 1 . . . . . . . . 4236 1 731 . 1 1 137 137 ALA C C 13 179.06 . . 1 . . . . . . . . 4236 1 732 . 1 1 137 137 ALA CB C 13 17.83 . . 1 . . . . . . . . 4236 1 733 . 1 1 138 138 ALA N N 15 116.34 . . 1 . . . . . . . . 4236 1 734 . 1 1 138 138 ALA H H 1 7.86 . . 1 . . . . . . . . 4236 1 735 . 1 1 138 138 ALA HA H 1 4.06 . . 1 . . . . . . . . 4236 1 736 . 1 1 138 138 ALA CA C 13 54.70 . . 1 . . . . . . . . 4236 1 737 . 1 1 138 138 ALA C C 13 178.57 . . 1 . . . . . . . . 4236 1 738 . 1 1 138 138 ALA CB C 13 20.08 . . 1 . . . . . . . . 4236 1 739 . 1 1 139 139 LYS N N 15 112.14 . . 1 . . . . . . . . 4236 1 740 . 1 1 139 139 LYS H H 1 7.85 . . 1 . . . . . . . . 4236 1 741 . 1 1 139 139 LYS HA H 1 4.50 . . 1 . . . . . . . . 4236 1 742 . 1 1 139 139 LYS CA C 13 56.70 . . 1 . . . . . . . . 4236 1 743 . 1 1 139 139 LYS C C 13 178.75 . . 1 . . . . . . . . 4236 1 744 . 1 1 139 139 LYS CB C 13 33.88 . . 1 . . . . . . . . 4236 1 745 . 1 1 140 140 THR N N 15 106.86 . . 1 . . . . . . . . 4236 1 746 . 1 1 140 140 THR H H 1 7.83 . . 1 . . . . . . . . 4236 1 747 . 1 1 140 140 THR HA H 1 4.66 . . 1 . . . . . . . . 4236 1 748 . 1 1 140 140 THR CA C 13 62.80 . . 1 . . . . . . . . 4236 1 749 . 1 1 140 140 THR C C 13 174.93 . . 1 . . . . . . . . 4236 1 750 . 1 1 140 140 THR CB C 13 70.69 . . 1 . . . . . . . . 4236 1 751 . 1 1 141 141 ASP N N 15 121.33 . . 1 . . . . . . . . 4236 1 752 . 1 1 141 141 ASP H H 1 8.32 . . 1 . . . . . . . . 4236 1 753 . 1 1 141 141 ASP HA H 1 5.32 . . 1 . . . . . . . . 4236 1 754 . 1 1 141 141 ASP CA C 13 50.67 . . 1 . . . . . . . . 4236 1 755 . 1 1 141 141 ASP CB C 13 41.76 . . 1 . . . . . . . . 4236 1 756 . 1 1 141 141 ASP C C 13 173.50 . . 1 . . . . . . . . 4236 1 757 . 1 1 142 142 PRO CA C 13 62.58 . . 1 . . . . . . . . 4236 1 758 . 1 1 142 142 PRO C C 13 176.88 . . 1 . . . . . . . . 4236 1 759 . 1 1 142 142 PRO CB C 13 31.34 . . 1 . . . . . . . . 4236 1 760 . 1 1 143 143 SER N N 15 112.24 . . 1 . . . . . . . . 4236 1 761 . 1 1 143 143 SER H H 1 7.99 . . 1 . . . . . . . . 4236 1 762 . 1 1 143 143 SER HA H 1 4.45 . . 1 . . . . . . . . 4236 1 763 . 1 1 143 143 SER CA C 13 58.44 . . 1 . . . . . . . . 4236 1 764 . 1 1 143 143 SER C C 13 174.55 . . 1 . . . . . . . . 4236 1 765 . 1 1 143 143 SER CB C 13 63.88 . . 1 . . . . . . . . 4236 1 766 . 1 1 144 144 SER N N 15 119.27 . . 1 . . . . . . . . 4236 1 767 . 1 1 144 144 SER H H 1 8.11 . . 1 . . . . . . . . 4236 1 768 . 1 1 144 144 SER HA H 1 4.71 . . 1 . . . . . . . . 4236 1 769 . 1 1 144 144 SER CA C 13 56.15 . . 1 . . . . . . . . 4236 1 770 . 1 1 144 144 SER C C 13 176.30 . . 1 . . . . . . . . 4236 1 771 . 1 1 144 144 SER CB C 13 63.97 . . 1 . . . . . . . . 4236 1 772 . 1 1 145 145 PRO HA H 1 4.66 . . 1 . . . . . . . . 4236 1 773 . 1 1 145 145 PRO CA C 13 64.43 . . 1 . . . . . . . . 4236 1 774 . 1 1 145 145 PRO C C 13 177.69 . . 1 . . . . . . . . 4236 1 775 . 1 1 145 145 PRO CB C 13 32.05 . . 1 . . . . . . . . 4236 1 776 . 1 1 146 146 ILE N N 15 107.70 . . 1 . . . . . . . . 4236 1 777 . 1 1 146 146 ILE H H 1 7.16 . . 1 . . . . . . . . 4236 1 778 . 1 1 146 146 ILE HA H 1 4.64 . . 1 . . . . . . . . 4236 1 779 . 1 1 146 146 ILE CA C 13 60.29 . . 1 . . . . . . . . 4236 1 780 . 1 1 146 146 ILE CB C 13 37.45 . . 1 . . . . . . . . 4236 1 781 . 1 1 147 147 TYR CA C 13 60.39 . . 1 . . . . . . . . 4236 1 782 . 1 1 147 147 TYR HA H 1 4.52 . . 1 . . . . . . . . 4236 1 783 . 1 1 147 147 TYR C C 13 178.00 . . 1 . . . . . . . . 4236 1 784 . 1 1 147 147 TYR CB C 13 37.16 . . 1 . . . . . . . . 4236 1 785 . 1 1 148 148 GLY N N 15 115.99 . . 1 . . . . . . . . 4236 1 786 . 1 1 148 148 GLY H H 1 8.70 . . 1 . . . . . . . . 4236 1 787 . 1 1 148 148 GLY HA2 H 1 4.03 . . 1 . . . . . . . . 4236 1 788 . 1 1 148 148 GLY HA3 H 1 3.25 . . 1 . . . . . . . . 4236 1 789 . 1 1 148 148 GLY CA C 13 44.42 . . 1 . . . . . . . . 4236 1 790 . 1 1 148 148 GLY C C 13 174.24 . . 1 . . . . . . . . 4236 1 791 . 1 1 149 149 MET N N 15 124.30 . . 1 . . . . . . . . 4236 1 792 . 1 1 149 149 MET H H 1 8.04 . . 1 . . . . . . . . 4236 1 793 . 1 1 149 149 MET HA H 1 4.63 . . 1 . . . . . . . . 4236 1 794 . 1 1 149 149 MET CA C 13 53.91 . . 1 . . . . . . . . 4236 1 795 . 1 1 149 149 MET CB C 13 33.50 . . 1 . . . . . . . . 4236 1 796 . 1 1 149 149 MET C C 13 173.70 . . 1 . . . . . . . . 4236 1 797 . 1 1 150 150 PRO HA H 1 4.48 . . 1 . . . . . . . . 4236 1 798 . 1 1 150 150 PRO CA C 13 62.85 . . 1 . . . . . . . . 4236 1 799 . 1 1 150 150 PRO C C 13 176.93 . . 1 . . . . . . . . 4236 1 800 . 1 1 150 150 PRO CB C 13 31.73 . . 1 . . . . . . . . 4236 1 801 . 1 1 151 151 ILE N N 15 115.06 . . 1 . . . . . . . . 4236 1 802 . 1 1 151 151 ILE H H 1 8.26 . . 1 . . . . . . . . 4236 1 803 . 1 1 151 151 ILE HA H 1 4.82 . . 1 . . . . . . . . 4236 1 804 . 1 1 151 151 ILE CA C 13 59.61 . . 1 . . . . . . . . 4236 1 805 . 1 1 151 151 ILE C C 13 176.06 . . 1 . . . . . . . . 4236 1 806 . 1 1 151 151 ILE CB C 13 43.38 . . 1 . . . . . . . . 4236 1 807 . 1 1 152 152 LEU N N 15 119.12 . . 1 . . . . . . . . 4236 1 808 . 1 1 152 152 LEU H H 1 8.48 . . 1 . . . . . . . . 4236 1 809 . 1 1 152 152 LEU HA H 1 5.06 . . 1 . . . . . . . . 4236 1 810 . 1 1 152 152 LEU CA C 13 53.19 . . 1 . . . . . . . . 4236 1 811 . 1 1 152 152 LEU C C 13 177.76 . . 1 . . . . . . . . 4236 1 812 . 1 1 152 152 LEU CB C 13 42.85 . . 1 . . . . . . . . 4236 1 813 . 1 1 153 153 ASP N N 15 128.77 . . 1 . . . . . . . . 4236 1 814 . 1 1 153 153 ASP H H 1 9.07 . . 1 . . . . . . . . 4236 1 815 . 1 1 153 153 ASP HA H 1 4.65 . . 1 . . . . . . . . 4236 1 816 . 1 1 153 153 ASP CA C 13 53.91 . . 1 . . . . . . . . 4236 1 817 . 1 1 153 153 ASP C C 13 176.06 . . 1 . . . . . . . . 4236 1 818 . 1 1 153 153 ASP CB C 13 38.35 . . 1 . . . . . . . . 4236 1 819 . 1 1 154 154 VAL N N 15 114.90 . . 1 . . . . . . . . 4236 1 820 . 1 1 154 154 VAL H H 1 7.56 . . 1 . . . . . . . . 4236 1 821 . 1 1 154 154 VAL HA H 1 2.71 . . 1 . . . . . . . . 4236 1 822 . 1 1 154 154 VAL CA C 13 63.63 . . 1 . . . . . . . . 4236 1 823 . 1 1 154 154 VAL C C 13 175.61 . . 1 . . . . . . . . 4236 1 824 . 1 1 154 154 VAL CB C 13 30.18 . . 1 . . . . . . . . 4236 1 825 . 1 1 155 155 GLU N N 15 113.35 . . 1 . . . . . . . . 4236 1 826 . 1 1 155 155 GLU H H 1 7.70 . . 1 . . . . . . . . 4236 1 827 . 1 1 155 155 GLU HA H 1 4.05 . . 1 . . . . . . . . 4236 1 828 . 1 1 155 155 GLU CA C 13 57.26 . . 1 . . . . . . . . 4236 1 829 . 1 1 155 155 GLU C C 13 175.81 . . 1 . . . . . . . . 4236 1 830 . 1 1 155 155 GLU CB C 13 29.20 . . 1 . . . . . . . . 4236 1 831 . 1 1 156 156 LYS N N 15 115.96 . . 1 . . . . . . . . 4236 1 832 . 1 1 156 156 LYS H H 1 7.17 . . 1 . . . . . . . . 4236 1 833 . 1 1 156 156 LYS HA H 1 4.15 . . 1 . . . . . . . . 4236 1 834 . 1 1 156 156 LYS CA C 13 55.93 . . 1 . . . . . . . . 4236 1 835 . 1 1 156 156 LYS C C 13 176.37 . . 1 . . . . . . . . 4236 1 836 . 1 1 156 156 LYS CB C 13 32.08 . . 1 . . . . . . . . 4236 1 837 . 1 1 157 157 ALA N N 15 121.13 . . 1 . . . . . . . . 4236 1 838 . 1 1 157 157 ALA H H 1 7.62 . . 1 . . . . . . . . 4236 1 839 . 1 1 157 157 ALA HA H 1 4.80 . . 1 . . . . . . . . 4236 1 840 . 1 1 157 157 ALA CA C 13 51.68 . . 1 . . . . . . . . 4236 1 841 . 1 1 157 157 ALA C C 13 177.69 . . 1 . . . . . . . . 4236 1 842 . 1 1 157 157 ALA CB C 13 20.34 . . 1 . . . . . . . . 4236 1 843 . 1 1 158 158 GLY N N 15 106.22 . . 1 . . . . . . . . 4236 1 844 . 1 1 158 158 GLY H H 1 8.01 . . 1 . . . . . . . . 4236 1 845 . 1 1 158 158 GLY HA2 H 1 4.07 . . 1 . . . . . . . . 4236 1 846 . 1 1 158 158 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4236 1 847 . 1 1 158 158 GLY CA C 13 48.61 . . 1 . . . . . . . . 4236 1 848 . 1 1 158 158 GLY C C 13 175.56 . . 1 . . . . . . . . 4236 1 849 . 1 1 159 159 THR N N 15 116.06 . . 1 . . . . . . . . 4236 1 850 . 1 1 159 159 THR H H 1 7.92 . . 1 . . . . . . . . 4236 1 851 . 1 1 159 159 THR HA H 1 4.94 . . 1 . . . . . . . . 4236 1 852 . 1 1 159 159 THR CA C 13 62.30 . . 1 . . . . . . . . 4236 1 853 . 1 1 159 159 THR C C 13 171.92 . . 1 . . . . . . . . 4236 1 854 . 1 1 159 159 THR CB C 13 71.83 . . 1 . . . . . . . . 4236 1 855 . 1 1 160 160 VAL N N 15 127.84 . . 1 . . . . . . . . 4236 1 856 . 1 1 160 160 VAL H H 1 9.08 . . 1 . . . . . . . . 4236 1 857 . 1 1 160 160 VAL HA H 1 4.56 . . 1 . . . . . . . . 4236 1 858 . 1 1 160 160 VAL CA C 13 61.23 . . 1 . . . . . . . . 4236 1 859 . 1 1 160 160 VAL C C 13 173.74 . . 1 . . . . . . . . 4236 1 860 . 1 1 160 160 VAL CB C 13 32.46 . . 1 . . . . . . . . 4236 1 861 . 1 1 161 161 LEU N N 15 127.05 . . 1 . . . . . . . . 4236 1 862 . 1 1 161 161 LEU H H 1 8.76 . . 1 . . . . . . . . 4236 1 863 . 1 1 161 161 LEU HA H 1 5.52 . . 1 . . . . . . . . 4236 1 864 . 1 1 161 161 LEU CA C 13 52.23 . . 1 . . . . . . . . 4236 1 865 . 1 1 161 161 LEU C C 13 175.18 . . 1 . . . . . . . . 4236 1 866 . 1 1 161 161 LEU CB C 13 43.77 . . 1 . . . . . . . . 4236 1 867 . 1 1 162 162 PHE N N 15 119.89 . . 1 . . . . . . . . 4236 1 868 . 1 1 162 162 PHE H H 1 8.23 . . 1 . . . . . . . . 4236 1 869 . 1 1 162 162 PHE HA H 1 5.21 . . 1 . . . . . . . . 4236 1 870 . 1 1 162 162 PHE CA C 13 57.54 . . 1 . . . . . . . . 4236 1 871 . 1 1 162 162 PHE C C 13 175.11 . . 1 . . . . . . . . 4236 1 872 . 1 1 162 162 PHE CB C 13 41.65 . . 1 . . . . . . . . 4236 1 873 . 1 1 163 163 ILE N N 15 121.04 . . 1 . . . . . . . . 4236 1 874 . 1 1 163 163 ILE H H 1 8.80 . . 1 . . . . . . . . 4236 1 875 . 1 1 163 163 ILE HA H 1 5.13 . . 1 . . . . . . . . 4236 1 876 . 1 1 163 163 ILE CA C 13 61.01 . . 1 . . . . . . . . 4236 1 877 . 1 1 163 163 ILE C C 13 175.49 . . 1 . . . . . . . . 4236 1 878 . 1 1 163 163 ILE CB C 13 38.92 . . 1 . . . . . . . . 4236 1 879 . 1 1 164 164 LYS N N 15 123.34 . . 1 . . . . . . . . 4236 1 880 . 1 1 164 164 LYS H H 1 8.23 . . 1 . . . . . . . . 4236 1 881 . 1 1 164 164 LYS HA H 1 5.73 . . 1 . . . . . . . . 4236 1 882 . 1 1 164 164 LYS CA C 13 54.35 . . 1 . . . . . . . . 4236 1 883 . 1 1 164 164 LYS C C 13 175.05 . . 1 . . . . . . . . 4236 1 884 . 1 1 164 164 LYS CB C 13 31.21 . . 1 . . . . . . . . 4236 1 885 . 1 1 165 165 ARG N N 15 119.76 . . 1 . . . . . . . . 4236 1 886 . 1 1 165 165 ARG H H 1 10.45 . . 1 . . . . . . . . 4236 1 887 . 1 1 165 165 ARG HA H 1 3.80 . . 1 . . . . . . . . 4236 1 888 . 1 1 165 165 ARG CA C 13 59.39 . . 1 . . . . . . . . 4236 1 889 . 1 1 165 165 ARG C C 13 178.69 . . 1 . . . . . . . . 4236 1 890 . 1 1 165 165 ARG CB C 13 28.66 . . 1 . . . . . . . . 4236 1 891 . 1 1 166 166 SER N N 15 118.61 . . 1 . . . . . . . . 4236 1 892 . 1 1 166 166 SER H H 1 9.53 . . 1 . . . . . . . . 4236 1 893 . 1 1 166 166 SER HA H 1 4.46 . . 1 . . . . . . . . 4236 1 894 . 1 1 166 166 SER CA C 13 58.04 . . 1 . . . . . . . . 4236 1 895 . 1 1 166 166 SER C C 13 173.60 . . 1 . . . . . . . . 4236 1 896 . 1 1 166 166 SER CB C 13 66.92 . . 1 . . . . . . . . 4236 1 897 . 1 1 167 167 MET N N 15 116.70 . . 1 . . . . . . . . 4236 1 898 . 1 1 167 167 MET H H 1 8.03 . . 1 . . . . . . . . 4236 1 899 . 1 1 167 167 MET HA H 1 4.83 . . 1 . . . . . . . . 4236 1 900 . 1 1 167 167 MET CA C 13 53.35 . . 1 . . . . . . . . 4236 1 901 . 1 1 167 167 MET C C 13 176.50 . . 1 . . . . . . . . 4236 1 902 . 1 1 167 167 MET CB C 13 29.13 . . 1 . . . . . . . . 4236 1 903 . 1 1 168 168 ALA N N 15 122.68 . . 1 . . . . . . . . 4236 1 904 . 1 1 168 168 ALA H H 1 8.55 . . 1 . . . . . . . . 4236 1 905 . 1 1 168 168 ALA HA H 1 4.25 . . 1 . . . . . . . . 4236 1 906 . 1 1 168 168 ALA CA C 13 53.24 . . 1 . . . . . . . . 4236 1 907 . 1 1 168 168 ALA C C 13 178.63 . . 1 . . . . . . . . 4236 1 908 . 1 1 168 168 ALA CB C 13 19.89 . . 1 . . . . . . . . 4236 1 909 . 1 1 169 169 SER N N 15 113.99 . . 1 . . . . . . . . 4236 1 910 . 1 1 169 169 SER H H 1 8.26 . . 1 . . . . . . . . 4236 1 911 . 1 1 169 169 SER HA H 1 4.95 . . 1 . . . . . . . . 4236 1 912 . 1 1 169 169 SER CA C 13 57.94 . . 1 . . . . . . . . 4236 1 913 . 1 1 169 169 SER C C 13 174.81 . . 1 . . . . . . . . 4236 1 914 . 1 1 169 169 SER CB C 13 63.60 . . 1 . . . . . . . . 4236 1 915 . 1 1 170 170 GLY N N 15 110.10 . . 1 . . . . . . . . 4236 1 916 . 1 1 170 170 GLY H H 1 8.91 . . 1 . . . . . . . . 4236 1 917 . 1 1 170 170 GLY HA2 H 1 4.74 . . 1 . . . . . . . . 4236 1 918 . 1 1 170 170 GLY HA3 H 1 4.59 . . 1 . . . . . . . . 4236 1 919 . 1 1 170 170 GLY CA C 13 43.74 . . 1 . . . . . . . . 4236 1 920 . 1 1 170 170 GLY C C 13 174.99 . . 1 . . . . . . . . 4236 1 921 . 1 1 171 171 TYR N N 15 126.86 . . 1 . . . . . . . . 4236 1 922 . 1 1 171 171 TYR H H 1 9.16 . . 1 . . . . . . . . 4236 1 923 . 1 1 171 171 TYR HA H 1 3.96 . . 1 . . . . . . . . 4236 1 924 . 1 1 171 171 TYR CA C 13 61.95 . . 1 . . . . . . . . 4236 1 925 . 1 1 171 171 TYR C C 13 178.13 . . 1 . . . . . . . . 4236 1 926 . 1 1 171 171 TYR CB C 13 38.53 . . 1 . . . . . . . . 4236 1 927 . 1 1 172 172 ALA N N 15 119.77 . . 1 . . . . . . . . 4236 1 928 . 1 1 172 172 ALA H H 1 10.97 . . 1 . . . . . . . . 4236 1 929 . 1 1 172 172 ALA HA H 1 4.15 . . 1 . . . . . . . . 4236 1 930 . 1 1 172 172 ALA CA C 13 53.36 . . 1 . . . . . . . . 4236 1 931 . 1 1 172 172 ALA C C 13 178.37 . . 1 . . . . . . . . 4236 1 932 . 1 1 172 172 ALA CB C 13 18.67 . . 1 . . . . . . . . 4236 1 933 . 1 1 173 173 GLY N N 15 105.46 . . 1 . . . . . . . . 4236 1 934 . 1 1 173 173 GLY H H 1 8.04 . . 1 . . . . . . . . 4236 1 935 . 1 1 173 173 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 4236 1 936 . 1 1 173 173 GLY HA3 H 1 3.99 . . 1 . . . . . . . . 4236 1 937 . 1 1 173 173 GLY CA C 13 46.37 . . 1 . . . . . . . . 4236 1 938 . 1 1 173 173 GLY C C 13 174.67 . . 1 . . . . . . . . 4236 1 939 . 1 1 174 174 VAL N N 15 113.14 . . 1 . . . . . . . . 4236 1 940 . 1 1 174 174 VAL H H 1 8.45 . . 1 . . . . . . . . 4236 1 941 . 1 1 174 174 VAL HA H 1 4.78 . . 1 . . . . . . . . 4236 1 942 . 1 1 174 174 VAL CA C 13 58.89 . . 1 . . . . . . . . 4236 1 943 . 1 1 174 174 VAL C C 13 175.74 . . 1 . . . . . . . . 4236 1 944 . 1 1 174 174 VAL CB C 13 34.31 . . 1 . . . . . . . . 4236 1 945 . 1 1 175 175 GLU N N 15 123.07 . . 1 . . . . . . . . 4236 1 946 . 1 1 175 175 GLU H H 1 8.63 . . 1 . . . . . . . . 4236 1 947 . 1 1 175 175 GLU HA H 1 4.06 . . 1 . . . . . . . . 4236 1 948 . 1 1 175 175 GLU CA C 13 56.82 . . 1 . . . . . . . . 4236 1 949 . 1 1 175 175 GLU C C 13 175.00 . . 1 . . . . . . . . 4236 1 950 . 1 1 175 175 GLU CB C 13 30.19 . . 1 . . . . . . . . 4236 1 951 . 1 1 176 176 ASN N N 15 122.67 . . 1 . . . . . . . . 4236 1 952 . 1 1 176 176 ASN H H 1 7.88 . . 1 . . . . . . . . 4236 1 953 . 1 1 176 176 ASN HA H 1 4.60 . . 1 . . . . . . . . 4236 1 954 . 1 1 176 176 ASN CA C 13 51.57 . . 1 . . . . . . . . 4236 1 955 . 1 1 176 176 ASN C C 13 175.37 . . 1 . . . . . . . . 4236 1 956 . 1 1 176 176 ASN CB C 13 38.02 . . 1 . . . . . . . . 4236 1 957 . 1 1 177 177 GLU N N 15 124.10 . . 1 . . . . . . . . 4236 1 958 . 1 1 177 177 GLU H H 1 9.42 . . 1 . . . . . . . . 4236 1 959 . 1 1 177 177 GLU HA H 1 4.26 . . 1 . . . . . . . . 4236 1 960 . 1 1 177 177 GLU CA C 13 57.94 . . 1 . . . . . . . . 4236 1 961 . 1 1 177 177 GLU C C 13 178.51 . . 1 . . . . . . . . 4236 1 962 . 1 1 177 177 GLU CB C 13 29.15 . . 1 . . . . . . . . 4236 1 963 . 1 1 178 178 LEU N N 15 117.58 . . 1 . . . . . . . . 4236 1 964 . 1 1 178 178 LEU H H 1 8.52 . . 1 . . . . . . . . 4236 1 965 . 1 1 178 178 LEU HA H 1 4.07 . . 1 . . . . . . . . 4236 1 966 . 1 1 178 178 LEU CA C 13 57.15 . . 1 . . . . . . . . 4236 1 967 . 1 1 178 178 LEU C C 13 179.76 . . 1 . . . . . . . . 4236 1 968 . 1 1 178 178 LEU CB C 13 40.91 . . 1 . . . . . . . . 4236 1 969 . 1 1 179 179 PHE N N 15 115.94 . . 1 . . . . . . . . 4236 1 970 . 1 1 179 179 PHE H H 1 7.06 . . 1 . . . . . . . . 4236 1 971 . 1 1 179 179 PHE HA H 1 4.49 . . 1 . . . . . . . . 4236 1 972 . 1 1 179 179 PHE CA C 13 56.14 . . 1 . . . . . . . . 4236 1 973 . 1 1 179 179 PHE C C 13 174.61 . . 1 . . . . . . . . 4236 1 974 . 1 1 179 179 PHE CB C 13 35.55 . . 1 . . . . . . . . 4236 1 975 . 1 1 180 180 PHE N N 15 112.23 . . 1 . . . . . . . . 4236 1 976 . 1 1 180 180 PHE H H 1 7.10 . . 1 . . . . . . . . 4236 1 977 . 1 1 180 180 PHE HA H 1 4.90 . . 1 . . . . . . . . 4236 1 978 . 1 1 180 180 PHE CA C 13 56.04 . . 1 . . . . . . . . 4236 1 979 . 1 1 180 180 PHE C C 13 176.62 . . 1 . . . . . . . . 4236 1 980 . 1 1 180 180 PHE CB C 13 39.37 . . 1 . . . . . . . . 4236 1 981 . 1 1 181 181 ARG N N 15 119.31 . . 1 . . . . . . . . 4236 1 982 . 1 1 181 181 ARG H H 1 7.25 . . 1 . . . . . . . . 4236 1 983 . 1 1 181 181 ARG HA H 1 4.52 . . 1 . . . . . . . . 4236 1 984 . 1 1 181 181 ARG CA C 13 55.47 . . 1 . . . . . . . . 4236 1 985 . 1 1 181 181 ARG C C 13 177.62 . . 1 . . . . . . . . 4236 1 986 . 1 1 181 181 ARG CB C 13 31.07 . . 1 . . . . . . . . 4236 1 987 . 1 1 182 182 ASN N N 15 121.75 . . 1 . . . . . . . . 4236 1 988 . 1 1 182 182 ASN H H 1 7.63 . . 1 . . . . . . . . 4236 1 989 . 1 1 182 182 ASN HA H 1 4.56 . . 1 . . . . . . . . 4236 1 990 . 1 1 182 182 ASN CA C 13 55.81 . . 1 . . . . . . . . 4236 1 991 . 1 1 182 182 ASN C C 13 175.68 . . 1 . . . . . . . . 4236 1 992 . 1 1 182 182 ASN CB C 13 37.71 . . 1 . . . . . . . . 4236 1 993 . 1 1 183 183 ASN N N 15 114.58 . . 1 . . . . . . . . 4236 1 994 . 1 1 183 183 ASN H H 1 8.33 . . 1 . . . . . . . . 4236 1 995 . 1 1 183 183 ASN HA H 1 5.05 . . 1 . . . . . . . . 4236 1 996 . 1 1 183 183 ASN CA C 13 52.46 . . 1 . . . . . . . . 4236 1 997 . 1 1 183 183 ASN C C 13 173.24 . . 1 . . . . . . . . 4236 1 998 . 1 1 183 183 ASN CB C 13 36.49 . . 1 . . . . . . . . 4236 1 999 . 1 1 184 184 THR N N 15 117.72 . . 1 . . . . . . . . 4236 1 1000 . 1 1 184 184 THR H H 1 7.55 . . 1 . . . . . . . . 4236 1 1001 . 1 1 184 184 THR HA H 1 5.57 . . 1 . . . . . . . . 4236 1 1002 . 1 1 184 184 THR CA C 13 60.90 . . 1 . . . . . . . . 4236 1 1003 . 1 1 184 184 THR C C 13 174.37 . . 1 . . . . . . . . 4236 1 1004 . 1 1 184 184 THR CB C 13 70.00 . . 1 . . . . . . . . 4236 1 1005 . 1 1 185 185 MET N N 15 128.41 . . 1 . . . . . . . . 4236 1 1006 . 1 1 185 185 MET H H 1 9.46 . . 1 . . . . . . . . 4236 1 1007 . 1 1 185 185 MET HA H 1 4.84 . . 1 . . . . . . . . 4236 1 1008 . 1 1 185 185 MET CA C 13 54.53 . . 1 . . . . . . . . 4236 1 1009 . 1 1 185 185 MET C C 13 173.73 . . 1 . . . . . . . . 4236 1 1010 . 1 1 185 185 MET CB C 13 36.34 . . 1 . . . . . . . . 4236 1 1011 . 1 1 186 186 MET N N 15 122.82 . . 1 . . . . . . . . 4236 1 1012 . 1 1 186 186 MET H H 1 8.74 . . 1 . . . . . . . . 4236 1 1013 . 1 1 186 186 MET HA H 1 4.74 . . 1 . . . . . . . . 4236 1 1014 . 1 1 186 186 MET CA C 13 52.46 . . 1 . . . . . . . . 4236 1 1015 . 1 1 186 186 MET C C 13 174.99 . . 1 . . . . . . . . 4236 1 1016 . 1 1 186 186 MET CB C 13 29.73 . . 1 . . . . . . . . 4236 1 1017 . 1 1 187 187 LEU N N 15 127.38 . . 1 . . . . . . . . 4236 1 1018 . 1 1 187 187 LEU H H 1 8.96 . . 1 . . . . . . . . 4236 1 1019 . 1 1 187 187 LEU HA H 1 4.50 . . 1 . . . . . . . . 4236 1 1020 . 1 1 187 187 LEU CA C 13 52.46 . . 1 . . . . . . . . 4236 1 1021 . 1 1 187 187 LEU C C 13 174.49 . . 1 . . . . . . . . 4236 1 1022 . 1 1 187 187 LEU CB C 13 41.30 . . 1 . . . . . . . . 4236 1 1023 . 1 1 188 188 PHE N N 15 117.95 . . 1 . . . . . . . . 4236 1 1024 . 1 1 188 188 PHE H H 1 7.91 . . 1 . . . . . . . . 4236 1 1025 . 1 1 188 188 PHE HA H 1 5.78 . . 1 . . . . . . . . 4236 1 1026 . 1 1 188 188 PHE CA C 13 56.54 . . 1 . . . . . . . . 4236 1 1027 . 1 1 188 188 PHE C C 13 177.12 . . 1 . . . . . . . . 4236 1 1028 . 1 1 188 188 PHE CB C 13 38.07 . . 1 . . . . . . . . 4236 1 1029 . 1 1 189 189 GLY N N 15 113.88 . . 1 . . . . . . . . 4236 1 1030 . 1 1 189 189 GLY HA2 H 1 8.62 . . 1 . . . . . . . . 4236 1 1031 . 1 1 189 189 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 4236 1 1032 . 1 1 189 189 GLY H H 1 4.05 . . 2 . . . . . . . . 4236 1 1033 . 1 1 189 189 GLY CA C 13 44.75 . . 1 . . . . . . . . 4236 1 1034 . 1 1 189 189 GLY C C 13 169.85 . . 1 . . . . . . . . 4236 1 1035 . 1 1 190 190 ASP N N 15 115.90 . . 1 . . . . . . . . 4236 1 1036 . 1 1 190 190 ASP H H 1 8.23 . . 1 . . . . . . . . 4236 1 1037 . 1 1 190 190 ASP HA H 1 4.77 . . 1 . . . . . . . . 4236 1 1038 . 1 1 190 190 ASP CA C 13 53.63 . . 1 . . . . . . . . 4236 1 1039 . 1 1 190 190 ASP C C 13 178.25 . . 1 . . . . . . . . 4236 1 1040 . 1 1 190 190 ASP CB C 13 44.72 . . 1 . . . . . . . . 4236 1 1041 . 1 1 191 191 ALA N N 15 125.23 . . 1 . . . . . . . . 4236 1 1042 . 1 1 191 191 ALA H H 1 10.80 . . 1 . . . . . . . . 4236 1 1043 . 1 1 191 191 ALA HA H 1 4.03 . . 1 . . . . . . . . 4236 1 1044 . 1 1 191 191 ALA CA C 13 55.37 . . 1 . . . . . . . . 4236 1 1045 . 1 1 191 191 ALA C C 13 178.82 . . 1 . . . . . . . . 4236 1 1046 . 1 1 191 191 ALA CB C 13 16.77 . . 1 . . . . . . . . 4236 1 1047 . 1 1 192 192 LYS N N 15 118.69 . . 1 . . . . . . . . 4236 1 1048 . 1 1 192 192 LYS H H 1 8.23 . . 1 . . . . . . . . 4236 1 1049 . 1 1 192 192 LYS HA H 1 4.03 . . 1 . . . . . . . . 4236 1 1050 . 1 1 192 192 LYS CA C 13 60.17 . . 1 . . . . . . . . 4236 1 1051 . 1 1 192 192 LYS C C 13 176.81 . . 1 . . . . . . . . 4236 1 1052 . 1 1 192 192 LYS CB C 13 32.51 . . 1 . . . . . . . . 4236 1 1053 . 1 1 193 193 LYS N N 15 119.07 . . 1 . . . . . . . . 4236 1 1054 . 1 1 193 193 LYS H H 1 8.32 . . 1 . . . . . . . . 4236 1 1055 . 1 1 193 193 LYS HA H 1 4.25 . . 1 . . . . . . . . 4236 1 1056 . 1 1 193 193 LYS CA C 13 59.05 . . 1 . . . . . . . . 4236 1 1057 . 1 1 193 193 LYS C C 13 179.57 . . 1 . . . . . . . . 4236 1 1058 . 1 1 193 193 LYS CB C 13 32.00 . . 1 . . . . . . . . 4236 1 1059 . 1 1 194 194 MET N N 15 115.30 . . 1 . . . . . . . . 4236 1 1060 . 1 1 194 194 MET H H 1 9.18 . . 1 . . . . . . . . 4236 1 1061 . 1 1 194 194 MET HA H 1 4.67 . . 1 . . . . . . . . 4236 1 1062 . 1 1 194 194 MET CA C 13 56.71 . . 1 . . . . . . . . 4236 1 1063 . 1 1 194 194 MET C C 13 178.19 . . 1 . . . . . . . . 4236 1 1064 . 1 1 194 194 MET CB C 13 30.19 . . 1 . . . . . . . . 4236 1 1065 . 1 1 195 195 THR N N 15 116.50 . . 1 . . . . . . . . 4236 1 1066 . 1 1 195 195 THR H H 1 7.19 . . 1 . . . . . . . . 4236 1 1067 . 1 1 195 195 THR HA H 1 3.83 . . 1 . . . . . . . . 4236 1 1068 . 1 1 195 195 THR CA C 13 68.89 . . 1 . . . . . . . . 4236 1 1069 . 1 1 195 195 THR C C 13 176.56 . . 1 . . . . . . . . 4236 1 1070 . 1 1 195 195 THR CB C 13 66.96 . . 1 . . . . . . . . 4236 1 1071 . 1 1 196 196 GLU N N 15 120.24 . . 1 . . . . . . . . 4236 1 1072 . 1 1 196 196 GLU H H 1 8.54 . . 1 . . . . . . . . 4236 1 1073 . 1 1 196 196 GLU HA H 1 3.95 . . 1 . . . . . . . . 4236 1 1074 . 1 1 196 196 GLU CA C 13 60.06 . . 1 . . . . . . . . 4236 1 1075 . 1 1 196 196 GLU C C 13 180.13 . . 1 . . . . . . . . 4236 1 1076 . 1 1 196 196 GLU CB C 13 29.04 . . 1 . . . . . . . . 4236 1 1077 . 1 1 197 197 GLN N N 15 118.96 . . 1 . . . . . . . . 4236 1 1078 . 1 1 197 197 GLN H H 1 8.26 . . 1 . . . . . . . . 4236 1 1079 . 1 1 197 197 GLN HA H 1 4.08 . . 1 . . . . . . . . 4236 1 1080 . 1 1 197 197 GLN CA C 13 59.17 . . 1 . . . . . . . . 4236 1 1081 . 1 1 197 197 GLN C C 13 179.45 . . 1 . . . . . . . . 4236 1 1082 . 1 1 197 197 GLN CB C 13 28.19 . . 1 . . . . . . . . 4236 1 1083 . 1 1 198 198 ILE N N 15 123.40 . . 1 . . . . . . . . 4236 1 1084 . 1 1 198 198 ILE H H 1 8.48 . . 1 . . . . . . . . 4236 1 1085 . 1 1 198 198 ILE HA H 1 3.58 . . 1 . . . . . . . . 4236 1 1086 . 1 1 198 198 ILE CA C 13 66.32 . . 1 . . . . . . . . 4236 1 1087 . 1 1 198 198 ILE C C 13 177.31 . . 1 . . . . . . . . 4236 1 1088 . 1 1 198 198 ILE CB C 13 37.48 . . 1 . . . . . . . . 4236 1 1089 . 1 1 199 199 VAL N N 15 119.11 . . 1 . . . . . . . . 4236 1 1090 . 1 1 199 199 VAL H H 1 8.27 . . 1 . . . . . . . . 4236 1 1091 . 1 1 199 199 VAL HA H 1 3.41 . . 1 . . . . . . . . 4236 1 1092 . 1 1 199 199 VAL CA C 13 67.78 . . 1 . . . . . . . . 4236 1 1093 . 1 1 199 199 VAL C C 13 179.32 . . 1 . . . . . . . . 4236 1 1094 . 1 1 199 199 VAL CB C 13 31.02 . . 1 . . . . . . . . 4236 1 1095 . 1 1 200 200 GLN N N 15 117.65 . . 1 . . . . . . . . 4236 1 1096 . 1 1 200 200 GLN H H 1 7.92 . . 1 . . . . . . . . 4236 1 1097 . 1 1 200 200 GLN HA H 1 4.08 . . 1 . . . . . . . . 4236 1 1098 . 1 1 200 200 GLN CA C 13 58.61 . . 1 . . . . . . . . 4236 1 1099 . 1 1 200 200 GLN C C 13 178.19 . . 1 . . . . . . . . 4236 1 1100 . 1 1 200 200 GLN CB C 13 27.67 . . 1 . . . . . . . . 4236 1 1101 . 1 1 201 201 ALA N N 15 120.13 . . 1 . . . . . . . . 4236 1 1102 . 1 1 201 201 ALA H H 1 7.83 . . 1 . . . . . . . . 4236 1 1103 . 1 1 201 201 ALA HA H 1 4.35 . . 1 . . . . . . . . 4236 1 1104 . 1 1 201 201 ALA CA C 13 53.18 . . 1 . . . . . . . . 4236 1 1105 . 1 1 201 201 ALA C C 13 178.25 . . 1 . . . . . . . . 4236 1 1106 . 1 1 201 201 ALA CB C 13 17.86 . . 1 . . . . . . . . 4236 1 1107 . 1 1 202 202 MET N N 15 117.15 . . 1 . . . . . . . . 4236 1 1108 . 1 1 202 202 MET H H 1 7.76 . . 1 . . . . . . . . 4236 1 1109 . 1 1 202 202 MET HA H 1 4.23 . . 1 . . . . . . . . 4236 1 1110 . 1 1 202 202 MET CA C 13 57.38 . . 1 . . . . . . . . 4236 1 1111 . 1 1 202 202 MET C C 13 175.17 . . 1 . . . . . . . . 4236 1 1112 . 1 1 202 202 MET CB C 13 33.47 . . 1 . . . . . . . . 4236 1 1113 . 1 1 203 203 ASN N N 15 123.08 . . 1 . . . . . . . . 4236 1 1114 . 1 1 203 203 ASN H H 1 7.41 . . 1 . . . . . . . . 4236 1 1115 . 1 1 203 203 ASN HA H 1 4.47 . . 1 . . . . . . . . 4236 1 1116 . 1 1 203 203 ASN CA C 13 55.25 . . 1 . . . . . . . . 4236 1 1117 . 1 1 203 203 ASN CB C 13 40.34 . . 1 . . . . . . . . 4236 1 1118 . 1 1 203 203 ASN C C 13 179.50 . . 1 . . . . . . . . 4236 1 stop_ save_