data_5368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5368 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for hARF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-09 _Entry.Accession_date 2002-05-09 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _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 'Juan Carlos' Amor . . . 5368 2 Ronald Seidel . D. III 5368 3 Fang Tian . . . 5368 4 Richard Kahn . A. . 5368 5 James Prestegard . H. . 5368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 164 5368 '13C chemical shifts' 474 5368 '15N chemical shifts' 164 5368 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 . . 2005-11-14 2002-05-09 original author . 5368 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5368 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22223356 _Citation.DOI . _Citation.PubMed_ID 12238602 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N, and 13C Assignments of Full Length Human ADP Ribosylation Factor 1 (ARF1) using Triple Resonance Connectivities and Dipolar Couplings ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 3 _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 253 _Citation.Page_last 254 _Citation.Year 2002 _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 'Juan Carlos' Amor . . . 5368 1 2 Ronald Seidel . D. III 5368 1 3 Fang Tian . . . 5368 1 4 Richard Kahn . A. . 5368 1 5 James Prestegard . H. . 5368 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ADP Ribosyation Factor 1' 5368 1 ARF1 5368 1 'resonance assignment' 5368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hARF1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hARF1 _Assembly.Entry_ID 5368 _Assembly.ID 1 _Assembly.Name 'human ADP Ribosylation Factor 1' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5368 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 'hARF1 monomer' 1 $ARF1 . . . native . . . . . 5368 1 2 GUANOSINE-5'-DIPHOSPHATE 2 $GDP . . . native . . . . . 5368 1 3 'MG 2+' 3 $entity_MG . . . native . . . . . 5368 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 . PDB 1HUR . . . . . ; Molecule shown as dimer due to crystal packing. Found as a monomer in solution. ; 5368 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human ADP Ribosylation Factor 1' system 5368 1 hARF1 abbreviation 5368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARF1 _Entity.Sf_category entity _Entity.Sf_framecode ARF1 _Entity.Entry_ID 5368 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ADP Ribosylation Factor 1' _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 ; GNIFANLFKGLFGKKEMRIL MVGLDAAGKTTILYKLKLGE IVTTIPTIGFNVETVEYKNI SFTVWDVGGQDKIRPLWRHY FQNTQGLIFVVDSNDRERVN EAREELMRMLAEDELRDAVL LVFANKQDLPNAMNAAEITD KLGLHSLRHRNWYIQATCAT SGDGLYEGLDWLSNQLRNQK ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20562 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1HUR . "Human Adp-Ribosylation Factor 1 Complexed With Gdp, Full Length Non-Myristoylated" . . . . . 100.00 180 100.00 100.00 7.38e-129 . . . . 5368 1 2 no PDB 1J2J . "Crystal Structure Of Gga1 Gat N-terminal Region In Complex With Arf1 Gtp Form" . . . . . 91.11 166 99.39 99.39 3.04e-115 . . . . 5368 1 3 no PDB 1O3Y . "Crystal Structure Of Mouse Arf1 (Delta17-Q71l), Gtp Form" . . . . . 91.11 166 99.39 99.39 3.04e-115 . . . . 5368 1 4 no PDB 1R8Q . "Full-Length Arf1-Gdp-Mg In Complex With Brefeldin A And A Sec7 Domain" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 5 no PDB 1R8S . "Arf1[delta1-17]-Gdp In Complex With A Sec7 Domain Carrying The Mutation Of The Catalytic Glutamate To Lysine" . . . . . 91.11 164 100.00 100.00 1.52e-116 . . . . 5368 1 6 no PDB 1RE0 . "Structure Of Arf1-Gdp Bound To Sec7 Domain Complexed With Brefeldin A" . . . . . 91.11 164 100.00 100.00 1.52e-116 . . . . 5368 1 7 no PDB 1RRF . "Non-Myristoylated Rat Adp-Ribosylation Factor-1 Complexed With Gdp, Monomeric Crystal Form" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 8 no PDB 1RRG . "Non-Myristoylated Rat Adp-Ribosylation Factor-1 Complexed With Gdp, Dimeric Crystal Form" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 9 no PDB 1S9D . "Arf1[delta 1-17]-Gdp-Mg In Complex With Brefeldin A And A Sec7 Domain" . . . . . 91.11 164 100.00 100.00 1.52e-116 . . . . 5368 1 10 no PDB 1U81 . "Delta-17 Human Adp Ribosylation Factor 1 Complexed With Gdp" . . . . . 91.11 164 100.00 100.00 1.52e-116 . . . . 5368 1 11 no PDB 2J59 . "Crystal Structure Of The Arf1:arhgap21-Arfbd Complex" . . . . . 91.11 166 99.39 99.39 3.04e-115 . . . . 5368 1 12 no PDB 3O47 . "Crystal Structure Of Arfgap1-Arf1 Fusion Protein" . . . . . 95.56 329 99.42 100.00 6.10e-120 . . . . 5368 1 13 no PDB 4C0A . "Arf1(delta1-17)in Complex With Brag2 Sec7-ph Domain" . . . . . 91.11 164 100.00 100.00 1.52e-116 . . . . 5368 1 14 no PDB 4HMY . "Structural Basis For Recruitment And Activation Of The Ap-1 Clathrin Adaptor Complex By Arf1" . . . . . 91.67 172 99.39 99.39 4.49e-116 . . . . 5368 1 15 no DBJ BAA13490 . "ARF1 [Mus musculus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 16 no DBJ BAE01583 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 17 no DBJ BAE28566 . "unnamed protein product [Mus musculus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 18 no DBJ BAE28685 . "unnamed protein product [Mus musculus]" . . . . . 100.00 181 99.44 99.44 5.01e-128 . . . . 5368 1 19 no DBJ BAE29300 . "unnamed protein product [Mus musculus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 20 no EMBL CAG03028 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 70.56 243 97.64 99.21 2.16e-82 . . . . 5368 1 21 no EMBL CAG31143 . "hypothetical protein RCJMB04_2m6 [Gallus gallus]" . . . . . 100.00 181 98.89 98.89 6.69e-127 . . . . 5368 1 22 no EMBL CAJ81862 . "ADP-ribosylation factor 1 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 181 98.89 99.44 1.90e-127 . . . . 5368 1 23 no EMBL CAL38139 . "hypothetical protein [synthetic construct]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 24 no EMBL CAL38339 . "hypothetical protein [synthetic construct]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 25 no GB AAA30361 . "ADP-ribosylation factor [Bos taurus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 26 no GB AAA35511 . "ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 27 no GB AAA35512 . "ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 28 no GB AAA35552 . "ADP-ribosylation factor (ARF1) [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 29 no GB AAA40685 . "ADP-ribosylation factor 1 [Rattus norvegicus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 30 no PRF 2004472A . "phospholipase D-activating factor" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 31 no REF NP_001001905 . "ADP-ribosylation factor 1 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 181 98.89 99.44 1.90e-127 . . . . 5368 1 32 no REF NP_001006352 . "ADP-ribosylation factor 1 [Gallus gallus]" . . . . . 100.00 181 98.89 98.89 6.69e-127 . . . . 5368 1 33 no REF NP_001019397 . "ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 34 no REF NP_001019398 . "ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 35 no REF NP_001019399 . "ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 36 no SP P51643 . "RecName: Full=ADP-ribosylation factor 1 [Xenopus laevis]" . . . . . 100.00 181 99.44 100.00 1.59e-128 . . . . 5368 1 37 no SP P84077 . "RecName: Full=ADP-ribosylation factor 1 [Homo sapiens]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 38 no SP P84078 . "RecName: Full=ADP-ribosylation factor 1 [Mus musculus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 39 no SP P84079 . "RecName: Full=ADP-ribosylation factor 1 [Rattus norvegicus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 40 no SP P84080 . "RecName: Full=ADP-ribosylation factor 1 [Bos taurus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 41 no TPG DAA28323 . "TPA: ADP-ribosylation factor 1 [Bos taurus]" . . . . . 100.00 181 100.00 100.00 7.90e-129 . . . . 5368 1 42 no TPG DAA29912 . "TPA: ADP-ribosylation factor 3 [Bos taurus]" . . . . . 77.22 140 97.12 97.12 1.41e-91 . . . . 5368 1 43 no TPG DAA31858 . "TPA: ADP-ribosylation factor 1-like [Bos taurus]" . . . . . 100.00 181 98.89 99.44 2.47e-127 . . . . 5368 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ADP Ribosylation Factor 1' common 5368 1 ARF1 abbreviation 5368 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 . GLY . 5368 1 2 . ASN . 5368 1 3 . ILE . 5368 1 4 . PHE . 5368 1 5 . ALA . 5368 1 6 . ASN . 5368 1 7 . LEU . 5368 1 8 . PHE . 5368 1 9 . LYS . 5368 1 10 . GLY . 5368 1 11 . LEU . 5368 1 12 . PHE . 5368 1 13 . GLY . 5368 1 14 . LYS . 5368 1 15 . LYS . 5368 1 16 . GLU . 5368 1 17 . MET . 5368 1 18 . ARG . 5368 1 19 . ILE . 5368 1 20 . LEU . 5368 1 21 . MET . 5368 1 22 . VAL . 5368 1 23 . GLY . 5368 1 24 . LEU . 5368 1 25 . ASP . 5368 1 26 . ALA . 5368 1 27 . ALA . 5368 1 28 . GLY . 5368 1 29 . LYS . 5368 1 30 . THR . 5368 1 31 . THR . 5368 1 32 . ILE . 5368 1 33 . LEU . 5368 1 34 . TYR . 5368 1 35 . LYS . 5368 1 36 . LEU . 5368 1 37 . LYS . 5368 1 38 . LEU . 5368 1 39 . GLY . 5368 1 40 . GLU . 5368 1 41 . ILE . 5368 1 42 . VAL . 5368 1 43 . THR . 5368 1 44 . THR . 5368 1 45 . ILE . 5368 1 46 . PRO . 5368 1 47 . THR . 5368 1 48 . ILE . 5368 1 49 . GLY . 5368 1 50 . PHE . 5368 1 51 . ASN . 5368 1 52 . VAL . 5368 1 53 . GLU . 5368 1 54 . THR . 5368 1 55 . VAL . 5368 1 56 . GLU . 5368 1 57 . TYR . 5368 1 58 . LYS . 5368 1 59 . ASN . 5368 1 60 . ILE . 5368 1 61 . SER . 5368 1 62 . PHE . 5368 1 63 . THR . 5368 1 64 . VAL . 5368 1 65 . TRP . 5368 1 66 . ASP . 5368 1 67 . VAL . 5368 1 68 . GLY . 5368 1 69 . GLY . 5368 1 70 . GLN . 5368 1 71 . ASP . 5368 1 72 . LYS . 5368 1 73 . ILE . 5368 1 74 . ARG . 5368 1 75 . PRO . 5368 1 76 . LEU . 5368 1 77 . TRP . 5368 1 78 . ARG . 5368 1 79 . HIS . 5368 1 80 . TYR . 5368 1 81 . PHE . 5368 1 82 . GLN . 5368 1 83 . ASN . 5368 1 84 . THR . 5368 1 85 . GLN . 5368 1 86 . GLY . 5368 1 87 . LEU . 5368 1 88 . ILE . 5368 1 89 . PHE . 5368 1 90 . VAL . 5368 1 91 . VAL . 5368 1 92 . ASP . 5368 1 93 . SER . 5368 1 94 . ASN . 5368 1 95 . ASP . 5368 1 96 . ARG . 5368 1 97 . GLU . 5368 1 98 . ARG . 5368 1 99 . VAL . 5368 1 100 . ASN . 5368 1 101 . GLU . 5368 1 102 . ALA . 5368 1 103 . ARG . 5368 1 104 . GLU . 5368 1 105 . GLU . 5368 1 106 . LEU . 5368 1 107 . MET . 5368 1 108 . ARG . 5368 1 109 . MET . 5368 1 110 . LEU . 5368 1 111 . ALA . 5368 1 112 . GLU . 5368 1 113 . ASP . 5368 1 114 . GLU . 5368 1 115 . LEU . 5368 1 116 . ARG . 5368 1 117 . ASP . 5368 1 118 . ALA . 5368 1 119 . VAL . 5368 1 120 . LEU . 5368 1 121 . LEU . 5368 1 122 . VAL . 5368 1 123 . PHE . 5368 1 124 . ALA . 5368 1 125 . ASN . 5368 1 126 . LYS . 5368 1 127 . GLN . 5368 1 128 . ASP . 5368 1 129 . LEU . 5368 1 130 . PRO . 5368 1 131 . ASN . 5368 1 132 . ALA . 5368 1 133 . MET . 5368 1 134 . ASN . 5368 1 135 . ALA . 5368 1 136 . ALA . 5368 1 137 . GLU . 5368 1 138 . ILE . 5368 1 139 . THR . 5368 1 140 . ASP . 5368 1 141 . LYS . 5368 1 142 . LEU . 5368 1 143 . GLY . 5368 1 144 . LEU . 5368 1 145 . HIS . 5368 1 146 . SER . 5368 1 147 . LEU . 5368 1 148 . ARG . 5368 1 149 . HIS . 5368 1 150 . ARG . 5368 1 151 . ASN . 5368 1 152 . TRP . 5368 1 153 . TYR . 5368 1 154 . ILE . 5368 1 155 . GLN . 5368 1 156 . ALA . 5368 1 157 . THR . 5368 1 158 . CYS . 5368 1 159 . ALA . 5368 1 160 . THR . 5368 1 161 . SER . 5368 1 162 . GLY . 5368 1 163 . ASP . 5368 1 164 . GLY . 5368 1 165 . LEU . 5368 1 166 . TYR . 5368 1 167 . GLU . 5368 1 168 . GLY . 5368 1 169 . LEU . 5368 1 170 . ASP . 5368 1 171 . TRP . 5368 1 172 . LEU . 5368 1 173 . SER . 5368 1 174 . ASN . 5368 1 175 . GLN . 5368 1 176 . LEU . 5368 1 177 . ARG . 5368 1 178 . ASN . 5368 1 179 . GLN . 5368 1 180 . LYS . 5368 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 . GLY 1 1 5368 1 . ASN 2 2 5368 1 . ILE 3 3 5368 1 . PHE 4 4 5368 1 . ALA 5 5 5368 1 . ASN 6 6 5368 1 . LEU 7 7 5368 1 . PHE 8 8 5368 1 . LYS 9 9 5368 1 . GLY 10 10 5368 1 . LEU 11 11 5368 1 . PHE 12 12 5368 1 . GLY 13 13 5368 1 . LYS 14 14 5368 1 . LYS 15 15 5368 1 . GLU 16 16 5368 1 . MET 17 17 5368 1 . ARG 18 18 5368 1 . ILE 19 19 5368 1 . LEU 20 20 5368 1 . MET 21 21 5368 1 . VAL 22 22 5368 1 . GLY 23 23 5368 1 . LEU 24 24 5368 1 . ASP 25 25 5368 1 . ALA 26 26 5368 1 . ALA 27 27 5368 1 . GLY 28 28 5368 1 . LYS 29 29 5368 1 . THR 30 30 5368 1 . THR 31 31 5368 1 . ILE 32 32 5368 1 . LEU 33 33 5368 1 . TYR 34 34 5368 1 . LYS 35 35 5368 1 . LEU 36 36 5368 1 . LYS 37 37 5368 1 . LEU 38 38 5368 1 . GLY 39 39 5368 1 . GLU 40 40 5368 1 . ILE 41 41 5368 1 . VAL 42 42 5368 1 . THR 43 43 5368 1 . THR 44 44 5368 1 . ILE 45 45 5368 1 . PRO 46 46 5368 1 . THR 47 47 5368 1 . ILE 48 48 5368 1 . GLY 49 49 5368 1 . PHE 50 50 5368 1 . ASN 51 51 5368 1 . VAL 52 52 5368 1 . GLU 53 53 5368 1 . THR 54 54 5368 1 . VAL 55 55 5368 1 . GLU 56 56 5368 1 . TYR 57 57 5368 1 . LYS 58 58 5368 1 . ASN 59 59 5368 1 . ILE 60 60 5368 1 . SER 61 61 5368 1 . PHE 62 62 5368 1 . THR 63 63 5368 1 . VAL 64 64 5368 1 . TRP 65 65 5368 1 . ASP 66 66 5368 1 . VAL 67 67 5368 1 . GLY 68 68 5368 1 . GLY 69 69 5368 1 . GLN 70 70 5368 1 . ASP 71 71 5368 1 . LYS 72 72 5368 1 . ILE 73 73 5368 1 . ARG 74 74 5368 1 . PRO 75 75 5368 1 . LEU 76 76 5368 1 . TRP 77 77 5368 1 . ARG 78 78 5368 1 . HIS 79 79 5368 1 . TYR 80 80 5368 1 . PHE 81 81 5368 1 . GLN 82 82 5368 1 . ASN 83 83 5368 1 . THR 84 84 5368 1 . GLN 85 85 5368 1 . GLY 86 86 5368 1 . LEU 87 87 5368 1 . ILE 88 88 5368 1 . PHE 89 89 5368 1 . VAL 90 90 5368 1 . VAL 91 91 5368 1 . ASP 92 92 5368 1 . SER 93 93 5368 1 . ASN 94 94 5368 1 . ASP 95 95 5368 1 . ARG 96 96 5368 1 . GLU 97 97 5368 1 . ARG 98 98 5368 1 . VAL 99 99 5368 1 . ASN 100 100 5368 1 . GLU 101 101 5368 1 . ALA 102 102 5368 1 . ARG 103 103 5368 1 . GLU 104 104 5368 1 . GLU 105 105 5368 1 . LEU 106 106 5368 1 . MET 107 107 5368 1 . ARG 108 108 5368 1 . MET 109 109 5368 1 . LEU 110 110 5368 1 . ALA 111 111 5368 1 . GLU 112 112 5368 1 . ASP 113 113 5368 1 . GLU 114 114 5368 1 . LEU 115 115 5368 1 . ARG 116 116 5368 1 . ASP 117 117 5368 1 . ALA 118 118 5368 1 . VAL 119 119 5368 1 . LEU 120 120 5368 1 . LEU 121 121 5368 1 . VAL 122 122 5368 1 . PHE 123 123 5368 1 . ALA 124 124 5368 1 . ASN 125 125 5368 1 . LYS 126 126 5368 1 . GLN 127 127 5368 1 . ASP 128 128 5368 1 . LEU 129 129 5368 1 . PRO 130 130 5368 1 . ASN 131 131 5368 1 . ALA 132 132 5368 1 . MET 133 133 5368 1 . ASN 134 134 5368 1 . ALA 135 135 5368 1 . ALA 136 136 5368 1 . GLU 137 137 5368 1 . ILE 138 138 5368 1 . THR 139 139 5368 1 . ASP 140 140 5368 1 . LYS 141 141 5368 1 . LEU 142 142 5368 1 . GLY 143 143 5368 1 . LEU 144 144 5368 1 . HIS 145 145 5368 1 . SER 146 146 5368 1 . LEU 147 147 5368 1 . ARG 148 148 5368 1 . HIS 149 149 5368 1 . ARG 150 150 5368 1 . ASN 151 151 5368 1 . TRP 152 152 5368 1 . TYR 153 153 5368 1 . ILE 154 154 5368 1 . GLN 155 155 5368 1 . ALA 156 156 5368 1 . THR 157 157 5368 1 . CYS 158 158 5368 1 . ALA 159 159 5368 1 . THR 160 160 5368 1 . SER 161 161 5368 1 . GLY 162 162 5368 1 . ASP 163 163 5368 1 . GLY 164 164 5368 1 . LEU 165 165 5368 1 . TYR 166 166 5368 1 . GLU 167 167 5368 1 . GLY 168 168 5368 1 . LEU 169 169 5368 1 . ASP 170 170 5368 1 . TRP 171 171 5368 1 . LEU 172 172 5368 1 . SER 173 173 5368 1 . ASN 174 174 5368 1 . GLN 175 175 5368 1 . LEU 176 176 5368 1 . ARG 177 177 5368 1 . ASN 178 178 5368 1 . GLN 179 179 5368 1 . LYS 180 180 5368 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 5368 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GUANOSINE-5'-DIPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE common 5368 2 GDP abbreviation 5368 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 . GDP . 5368 2 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 . GDP 1 1 5368 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 5368 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _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 MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _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 'MAGNESIUM ION' BMRB 5368 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 5368 3 MG 'Three letter code' 5368 3 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 MG $entity_MG 5368 3 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 MG MG 5368 3 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 5368 _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 $ARF1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5368 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 5368 _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 $ARF1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 5368 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _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 G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/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 G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _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 1EK0 _Chem_comp.Processing_site EBI _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 InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 5368 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 5368 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 5368 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 5368 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 5368 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 5368 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5368 GDP 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 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 5368 GDP '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5368 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 5368 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 5368 GDP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 5368 GDP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 5368 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 5368 GDP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 5368 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 5368 GDP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 5368 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 5368 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 5368 GDP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 5368 GDP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 5368 GDP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 5368 GDP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 5368 GDP H5' H5' H5' 1H5* . H . . N 0 . . . 1 no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 5368 GDP H5'' H5'' H5'' 2H5* . H . . N 0 . . . 0 no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 5368 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 5368 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 5368 GDP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 5368 GDP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 5368 GDP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 5368 GDP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 5368 GDP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 5368 GDP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 5368 GDP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 5368 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 5368 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 5368 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 5368 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 5368 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 5368 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 5368 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 5368 GDP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 5368 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 5368 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 5368 GDP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 5368 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 5368 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 5368 GDP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 5368 GDP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 5368 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 5368 GDP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 5368 GDP PB PB PB PB . P . . N 0 . . . 1 no no . . . . 13.635 . 17.027 . 28.402 . -1.117 -0.328 5.957 1 . 5368 GDP 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 PB O1B no N 1 . 5368 GDP 2 . SING PB O2B no N 2 . 5368 GDP 3 . SING PB O3B no N 3 . 5368 GDP 4 . SING PB O3A no N 4 . 5368 GDP 5 . SING O2B HOB2 no N 5 . 5368 GDP 6 . SING O3B HOB3 no N 6 . 5368 GDP 7 . SING O3A PA no N 7 . 5368 GDP 8 . DOUB PA O1A no N 8 . 5368 GDP 9 . SING PA O2A no N 9 . 5368 GDP 10 . SING PA O5' no N 10 . 5368 GDP 11 . SING O2A HOA2 no N 11 . 5368 GDP 12 . SING O5' C5' no N 12 . 5368 GDP 13 . SING C5' C4' no N 13 . 5368 GDP 14 . SING C5' H5' no N 14 . 5368 GDP 15 . SING C5' H5'' no N 15 . 5368 GDP 16 . SING C4' O4' no N 16 . 5368 GDP 17 . SING C4' C3' no N 17 . 5368 GDP 18 . SING C4' H4' no N 18 . 5368 GDP 19 . SING O4' C1' no N 19 . 5368 GDP 20 . SING C3' O3' no N 20 . 5368 GDP 21 . SING C3' C2' no N 21 . 5368 GDP 22 . SING C3' H3' no N 22 . 5368 GDP 23 . SING O3' HO3' no N 23 . 5368 GDP 24 . SING C2' O2' no N 24 . 5368 GDP 25 . SING C2' C1' no N 25 . 5368 GDP 26 . SING C2' H2' no N 26 . 5368 GDP 27 . SING O2' HO2' no N 27 . 5368 GDP 28 . SING C1' N9 no N 28 . 5368 GDP 29 . SING C1' H1' no N 29 . 5368 GDP 30 . SING N9 C8 yes N 30 . 5368 GDP 31 . SING N9 C4 yes N 31 . 5368 GDP 32 . DOUB C8 N7 yes N 32 . 5368 GDP 33 . SING C8 H8 no N 33 . 5368 GDP 34 . SING N7 C5 yes N 34 . 5368 GDP 35 . SING C5 C6 no N 35 . 5368 GDP 36 . DOUB C5 C4 yes N 36 . 5368 GDP 37 . DOUB C6 O6 no N 37 . 5368 GDP 38 . SING C6 N1 no N 38 . 5368 GDP 39 . SING N1 C2 no N 39 . 5368 GDP 40 . SING N1 HN1 no N 40 . 5368 GDP 41 . SING C2 N2 no N 41 . 5368 GDP 42 . DOUB C2 N3 no N 42 . 5368 GDP 43 . SING N2 HN21 no N 43 . 5368 GDP 44 . SING N2 HN22 no N 44 . 5368 GDP 45 . SING N3 C4 no N 45 . 5368 GDP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 5368 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _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 MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _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 InChI=1S/Mg/q+2 InChI InChI 1.03 5368 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 5368 MG [Mg+2] SMILES ACDLabs 10.04 5368 MG [Mg++] SMILES CACTVS 3.341 5368 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 5368 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 5368 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5368 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 5368 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5368 MG 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 MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5368 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5368 _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 'ADP Ribosylation Factor 1' . . . 1 $ARF1 . . 0.5 . . mM . . . . 5368 1 2 GUANOSINE-5'-DIPHOSPHATE . . . 2 $GDP . . . . . mM . . . . 5368 1 3 magnesium . . . 3 $entity_MG . . . . . mM . . . . 5368 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5368 _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 6.5 0.2 n/a 5368 1 temperature 298 1 K 5368 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5368 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5368 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5368 _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 Varian INOVA . 600 . . . 5368 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 5368 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5368 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5368 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5368 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_ARF1_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ARF1_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 5368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 5368 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PHE H H 1 7.852 . . 1 . . . . . . . . 5368 1 2 . 1 1 4 4 PHE C C 13 177.24 . . 1 . . . . . . . . 5368 1 3 . 1 1 4 4 PHE CA C 13 61.086 . . 1 . . . . . . . . 5368 1 4 . 1 1 4 4 PHE CB C 13 38.07 . . 1 . . . . . . . . 5368 1 5 . 1 1 4 4 PHE N N 15 119.914 . . 1 . . . . . . . . 5368 1 6 . 1 1 5 5 ALA H H 1 7.665 . . 1 . . . . . . . . 5368 1 7 . 1 1 5 5 ALA C C 13 177.236 . . 1 . . . . . . . . 5368 1 8 . 1 1 5 5 ALA CA C 13 55.284 . . 1 . . . . . . . . 5368 1 9 . 1 1 5 5 ALA CB C 13 18.3 . . 1 . . . . . . . . 5368 1 10 . 1 1 5 5 ALA N N 15 120.613 . . 1 . . . . . . . . 5368 1 11 . 1 1 8 8 PHE H H 1 7.489 . . 1 . . . . . . . . 5368 1 12 . 1 1 8 8 PHE C C 13 176.646 . . 1 . . . . . . . . 5368 1 13 . 1 1 8 8 PHE CA C 13 58.595 . . 1 . . . . . . . . 5368 1 14 . 1 1 8 8 PHE CB C 13 39.01 . . 1 . . . . . . . . 5368 1 15 . 1 1 8 8 PHE N N 15 113.85 . . 1 . . . . . . . . 5368 1 16 . 1 1 9 9 LYS H H 1 7.233 . . 1 . . . . . . . . 5368 1 17 . 1 1 9 9 LYS C C 13 174.993 . . 1 . . . . . . . . 5368 1 18 . 1 1 9 9 LYS CA C 13 58.686 . . 1 . . . . . . . . 5368 1 19 . 1 1 9 9 LYS CB C 13 32.45 . . 1 . . . . . . . . 5368 1 20 . 1 1 9 9 LYS N N 15 119.781 . . 1 . . . . . . . . 5368 1 21 . 1 1 10 10 GLY H H 1 8.5 . . 1 . . . . . . . . 5368 1 22 . 1 1 10 10 GLY C C 13 178.059 . . 1 . . . . . . . . 5368 1 23 . 1 1 10 10 GLY CA C 13 45.847 . . 1 . . . . . . . . 5368 1 24 . 1 1 10 10 GLY N N 15 108.366 . . 1 . . . . . . . . 5368 1 25 . 1 1 11 11 LEU H H 1 7.917 . . 1 . . . . . . . . 5368 1 26 . 1 1 11 11 LEU C C 13 174.494 . . 1 . . . . . . . . 5368 1 27 . 1 1 11 11 LEU CA C 13 54.09 . . 1 . . . . . . . . 5368 1 28 . 1 1 11 11 LEU CB C 13 42.29 . . 1 . . . . . . . . 5368 1 29 . 1 1 11 11 LEU N N 15 118.453 . . 1 . . . . . . . . 5368 1 30 . 1 1 12 12 PHE H H 1 7.461 . . 1 . . . . . . . . 5368 1 31 . 1 1 12 12 PHE C C 13 177.475 . . 1 . . . . . . . . 5368 1 32 . 1 1 12 12 PHE CA C 13 56.435 . . 1 . . . . . . . . 5368 1 33 . 1 1 12 12 PHE CB C 13 38.07 . . 1 . . . . . . . . 5368 1 34 . 1 1 12 12 PHE N N 15 119.954 . . 1 . . . . . . . . 5368 1 35 . 1 1 13 13 GLY H H 1 7.893 . . 1 . . . . . . . . 5368 1 36 . 1 1 13 13 GLY C C 13 176.62 . . 1 . . . . . . . . 5368 1 37 . 1 1 13 13 GLY CA C 13 45.569 . . 1 . . . . . . . . 5368 1 38 . 1 1 13 13 GLY N N 15 109.284 . . 1 . . . . . . . . 5368 1 39 . 1 1 15 15 LYS H H 1 7.934 . . 1 . . . . . . . . 5368 1 40 . 1 1 15 15 LYS C C 13 176.564 . . 1 . . . . . . . . 5368 1 41 . 1 1 15 15 LYS CA C 13 56.379 . . 1 . . . . . . . . 5368 1 42 . 1 1 15 15 LYS CB C 13 32.92 . . 1 . . . . . . . . 5368 1 43 . 1 1 15 15 LYS N N 15 119.648 . . 1 . . . . . . . . 5368 1 44 . 1 1 16 16 GLU H H 1 8.588 . . 1 . . . . . . . . 5368 1 45 . 1 1 16 16 GLU C C 13 175.757 . . 1 . . . . . . . . 5368 1 46 . 1 1 16 16 GLU CA C 13 57.541 . . 1 . . . . . . . . 5368 1 47 . 1 1 16 16 GLU CB C 13 30.11 . . 1 . . . . . . . . 5368 1 48 . 1 1 16 16 GLU N N 15 124.123 . . 1 . . . . . . . . 5368 1 49 . 1 1 17 17 MET H H 1 8.706 . . 1 . . . . . . . . 5368 1 50 . 1 1 17 17 MET C C 13 176.054 . . 1 . . . . . . . . 5368 1 51 . 1 1 17 17 MET CA C 13 53.858 . . 1 . . . . . . . . 5368 1 52 . 1 1 17 17 MET CB C 13 34.79 . . 1 . . . . . . . . 5368 1 53 . 1 1 17 17 MET N N 15 124.071 . . 1 . . . . . . . . 5368 1 54 . 1 1 18 18 ARG H H 1 8.811 . . 1 . . . . . . . . 5368 1 55 . 1 1 18 18 ARG C C 13 173.65 . . 1 . . . . . . . . 5368 1 56 . 1 1 18 18 ARG CA C 13 55.733 . . 1 . . . . . . . . 5368 1 57 . 1 1 18 18 ARG CB C 13 31.98 . . 1 . . . . . . . . 5368 1 58 . 1 1 18 18 ARG N N 15 123.981 . . 1 . . . . . . . . 5368 1 59 . 1 1 19 19 ILE H H 1 8.731 . . 1 . . . . . . . . 5368 1 60 . 1 1 19 19 ILE C C 13 174.912 . . 1 . . . . . . . . 5368 1 61 . 1 1 19 19 ILE CA C 13 59.216 . . 1 . . . . . . . . 5368 1 62 . 1 1 19 19 ILE CB C 13 39.01 . . 1 . . . . . . . . 5368 1 63 . 1 1 19 19 ILE N N 15 126.086 . . 1 . . . . . . . . 5368 1 64 . 1 1 20 20 LEU H H 1 8.277 . . 1 . . . . . . . . 5368 1 65 . 1 1 20 20 LEU C C 13 174.921 . . 1 . . . . . . . . 5368 1 66 . 1 1 20 20 LEU CA C 13 52.714 . . 1 . . . . . . . . 5368 1 67 . 1 1 20 20 LEU CB C 13 44.16 . . 1 . . . . . . . . 5368 1 68 . 1 1 20 20 LEU N N 15 128.404 . . 1 . . . . . . . . 5368 1 69 . 1 1 21 21 MET H H 1 9.117 . . 1 . . . . . . . . 5368 1 70 . 1 1 21 21 MET C C 13 174.971 . . 1 . . . . . . . . 5368 1 71 . 1 1 21 21 MET CA C 13 54.27 . . 1 . . . . . . . . 5368 1 72 . 1 1 21 21 MET CB C 13 36.2 . . 1 . . . . . . . . 5368 1 73 . 1 1 21 21 MET N N 15 126.159 . . 1 . . . . . . . . 5368 1 74 . 1 1 22 22 VAL H H 1 8.506 . . 1 . . . . . . . . 5368 1 75 . 1 1 22 22 VAL C C 13 172.858 . . 1 . . . . . . . . 5368 1 76 . 1 1 22 22 VAL CA C 13 57.861 . . 1 . . . . . . . . 5368 1 77 . 1 1 22 22 VAL CB C 13 36.36 . . 1 . . . . . . . . 5368 1 78 . 1 1 22 22 VAL N N 15 114.746 . . 1 . . . . . . . . 5368 1 79 . 1 1 23 23 GLY H H 1 6.525 . . 1 . . . . . . . . 5368 1 80 . 1 1 23 23 GLY C C 13 174.217 . . 1 . . . . . . . . 5368 1 81 . 1 1 23 23 GLY CA C 13 43.59 . . 1 . . . . . . . . 5368 1 82 . 1 1 23 23 GLY N N 15 102.557 . . 1 . . . . . . . . 5368 1 83 . 1 1 24 24 LEU H H 1 10.22 . . 1 . . . . . . . . 5368 1 84 . 1 1 24 24 LEU C C 13 173.176 . . 1 . . . . . . . . 5368 1 85 . 1 1 24 24 LEU CA C 13 55.779 . . 1 . . . . . . . . 5368 1 86 . 1 1 24 24 LEU CB C 13 41.35 . . 1 . . . . . . . . 5368 1 87 . 1 1 24 24 LEU N N 15 124.712 . . 1 . . . . . . . . 5368 1 88 . 1 1 25 25 ASP H H 1 8.805 . . 1 . . . . . . . . 5368 1 89 . 1 1 25 25 ASP C C 13 178.17 . . 1 . . . . . . . . 5368 1 90 . 1 1 25 25 ASP CA C 13 55.771 . . 1 . . . . . . . . 5368 1 91 . 1 1 25 25 ASP CB C 13 40.42 . . 1 . . . . . . . . 5368 1 92 . 1 1 25 25 ASP N N 15 119.61 . . 1 . . . . . . . . 5368 1 93 . 1 1 26 26 ALA H H 1 10.78 . . 1 . . . . . . . . 5368 1 94 . 1 1 26 26 ALA C C 13 175.227 . . 1 . . . . . . . . 5368 1 95 . 1 1 26 26 ALA CA C 13 53.653 . . 1 . . . . . . . . 5368 1 96 . 1 1 26 26 ALA CB C 13 17 . . 1 . . . . . . . . 5368 1 97 . 1 1 26 26 ALA N N 15 122.776 . . 1 . . . . . . . . 5368 1 98 . 1 1 27 27 ALA H H 1 7.497 . . 1 . . . . . . . . 5368 1 99 . 1 1 27 27 ALA C C 13 175.56 . . 1 . . . . . . . . 5368 1 100 . 1 1 27 27 ALA CA C 13 55.576 . . 1 . . . . . . . . 5368 1 101 . 1 1 27 27 ALA CB C 13 19.8 . . 1 . . . . . . . . 5368 1 102 . 1 1 27 27 ALA N N 15 123.122 . . 1 . . . . . . . . 5368 1 103 . 1 1 28 28 GLY H H 1 8.611 . . 1 . . . . . . . . 5368 1 104 . 1 1 28 28 GLY C C 13 176.178 . . 1 . . . . . . . . 5368 1 105 . 1 1 28 28 GLY CA C 13 45.856 . . 1 . . . . . . . . 5368 1 106 . 1 1 28 28 GLY N N 15 103.025 . . 1 . . . . . . . . 5368 1 107 . 1 1 29 29 LYS H H 1 9.679 . . 1 . . . . . . . . 5368 1 108 . 1 1 29 29 LYS C C 13 173.973 . . 1 . . . . . . . . 5368 1 109 . 1 1 29 29 LYS CA C 13 60.019 . . 1 . . . . . . . . 5368 1 110 . 1 1 29 29 LYS N N 15 122.444 . . 1 . . . . . . . . 5368 1 111 . 1 1 30 30 THR H H 1 9.158 . . 1 . . . . . . . . 5368 1 112 . 1 1 30 30 THR C C 13 177.5 . . 1 . . . . . . . . 5368 1 113 . 1 1 30 30 THR CA C 13 68.509 . . 1 . . . . . . . . 5368 1 114 . 1 1 30 30 THR N N 15 122.124 . . 1 . . . . . . . . 5368 1 115 . 1 1 31 31 THR H H 1 8.913 . . 1 . . . . . . . . 5368 1 116 . 1 1 31 31 THR C C 13 175.823 . . 1 . . . . . . . . 5368 1 117 . 1 1 31 31 THR CA C 13 68.221 . . 1 . . . . . . . . 5368 1 118 . 1 1 31 31 THR N N 15 119.15 . . 1 . . . . . . . . 5368 1 119 . 1 1 32 32 ILE H H 1 7.855 . . 1 . . . . . . . . 5368 1 120 . 1 1 32 32 ILE C C 13 176.777 . . 1 . . . . . . . . 5368 1 121 . 1 1 32 32 ILE CA C 13 66.959 . . 1 . . . . . . . . 5368 1 122 . 1 1 32 32 ILE CB C 13 37.6 . . 1 . . . . . . . . 5368 1 123 . 1 1 32 32 ILE N N 15 121.721 . . 1 . . . . . . . . 5368 1 124 . 1 1 33 33 LEU H H 1 8.027 . . 1 . . . . . . . . 5368 1 125 . 1 1 33 33 LEU C C 13 176.356 . . 1 . . . . . . . . 5368 1 126 . 1 1 33 33 LEU CA C 13 58.291 . . 1 . . . . . . . . 5368 1 127 . 1 1 33 33 LEU CB C 13 42.29 . . 1 . . . . . . . . 5368 1 128 . 1 1 33 33 LEU N N 15 118.273 . . 1 . . . . . . . . 5368 1 129 . 1 1 34 34 TYR H H 1 8.243 . . 1 . . . . . . . . 5368 1 130 . 1 1 34 34 TYR C C 13 179.653 . . 1 . . . . . . . . 5368 1 131 . 1 1 34 34 TYR CA C 13 61.659 . . 1 . . . . . . . . 5368 1 132 . 1 1 34 34 TYR CB C 13 38.07 . . 1 . . . . . . . . 5368 1 133 . 1 1 34 34 TYR N N 15 116.389 . . 1 . . . . . . . . 5368 1 134 . 1 1 35 35 LYS H H 1 7.968 . . 1 . . . . . . . . 5368 1 135 . 1 1 35 35 LYS C C 13 179.354 . . 1 . . . . . . . . 5368 1 136 . 1 1 35 35 LYS CA C 13 56.601 . . 1 . . . . . . . . 5368 1 137 . 1 1 35 35 LYS CB C 13 31.51 . . 1 . . . . . . . . 5368 1 138 . 1 1 35 35 LYS N N 15 120.977 . . 1 . . . . . . . . 5368 1 139 . 1 1 36 36 LEU H H 1 7.379 . . 1 . . . . . . . . 5368 1 140 . 1 1 36 36 LEU C C 13 177.277 . . 1 . . . . . . . . 5368 1 141 . 1 1 36 36 LEU CA C 13 56.531 . . 1 . . . . . . . . 5368 1 142 . 1 1 36 36 LEU CB C 13 41.35 . . 1 . . . . . . . . 5368 1 143 . 1 1 36 36 LEU N N 15 114.806 . . 1 . . . . . . . . 5368 1 144 . 1 1 37 37 LYS H H 1 7.097 . . 1 . . . . . . . . 5368 1 145 . 1 1 37 37 LYS C C 13 176.271 . . 1 . . . . . . . . 5368 1 146 . 1 1 37 37 LYS CA C 13 56.858 . . 1 . . . . . . . . 5368 1 147 . 1 1 37 37 LYS CB C 13 30.11 . . 1 . . . . . . . . 5368 1 148 . 1 1 37 37 LYS N N 15 110.244 . . 1 . . . . . . . . 5368 1 149 . 1 1 38 38 LEU H H 1 7.997 . . 1 . . . . . . . . 5368 1 150 . 1 1 38 38 LEU C C 13 175.969 . . 1 . . . . . . . . 5368 1 151 . 1 1 38 38 LEU CA C 13 55.11 . . 1 . . . . . . . . 5368 1 152 . 1 1 38 38 LEU CB C 13 42.76 . . 1 . . . . . . . . 5368 1 153 . 1 1 38 38 LEU N N 15 116.827 . . 1 . . . . . . . . 5368 1 154 . 1 1 39 39 GLY H H 1 7.041 . . 1 . . . . . . . . 5368 1 155 . 1 1 39 39 GLY C C 13 176.411 . . 1 . . . . . . . . 5368 1 156 . 1 1 39 39 GLY CA C 13 44.605 . . 1 . . . . . . . . 5368 1 157 . 1 1 39 39 GLY N N 15 103.546 . . 1 . . . . . . . . 5368 1 158 . 1 1 40 40 GLU H H 1 8.502 . . 1 . . . . . . . . 5368 1 159 . 1 1 40 40 GLU C C 13 171.96 . . 1 . . . . . . . . 5368 1 160 . 1 1 40 40 GLU CA C 13 56.283 . . 1 . . . . . . . . 5368 1 161 . 1 1 40 40 GLU CB C 13 30.11 . . 1 . . . . . . . . 5368 1 162 . 1 1 40 40 GLU N N 15 121.121 . . 1 . . . . . . . . 5368 1 163 . 1 1 41 41 ILE H H 1 8.367 . . 1 . . . . . . . . 5368 1 164 . 1 1 41 41 ILE C C 13 175.259 . . 1 . . . . . . . . 5368 1 165 . 1 1 41 41 ILE CA C 13 61.816 . . 1 . . . . . . . . 5368 1 166 . 1 1 41 41 ILE CB C 13 38.07 . . 1 . . . . . . . . 5368 1 167 . 1 1 41 41 ILE N N 15 124.791 . . 1 . . . . . . . . 5368 1 168 . 1 1 42 42 VAL H H 1 9.12 . . 1 . . . . . . . . 5368 1 169 . 1 1 42 42 VAL C C 13 176.612 . . 1 . . . . . . . . 5368 1 170 . 1 1 42 42 VAL CA C 13 61.868 . . 1 . . . . . . . . 5368 1 171 . 1 1 42 42 VAL CB C 13 33.38 . . 1 . . . . . . . . 5368 1 172 . 1 1 42 42 VAL N N 15 132.459 . . 1 . . . . . . . . 5368 1 173 . 1 1 43 43 THR H H 1 8.899 . . 1 . . . . . . . . 5368 1 174 . 1 1 43 43 THR C C 13 176.31 . . 1 . . . . . . . . 5368 1 175 . 1 1 43 43 THR CA C 13 62.116 . . 1 . . . . . . . . 5368 1 176 . 1 1 43 43 THR CB C 13 69.47 . . 1 . . . . . . . . 5368 1 177 . 1 1 43 43 THR N N 15 126.127 . . 1 . . . . . . . . 5368 1 178 . 1 1 44 44 THR H H 1 9.394 . . 1 . . . . . . . . 5368 1 179 . 1 1 44 44 THR C C 13 174.786 . . 1 . . . . . . . . 5368 1 180 . 1 1 44 44 THR CA C 13 60.491 . . 1 . . . . . . . . 5368 1 181 . 1 1 44 44 THR CB C 13 71.81 . . 1 . . . . . . . . 5368 1 182 . 1 1 44 44 THR N N 15 121.807 . . 1 . . . . . . . . 5368 1 183 . 1 1 45 45 ILE H H 1 8.417 . . 1 . . . . . . . . 5368 1 184 . 1 1 45 45 ILE C C 13 172.385 . . 1 . . . . . . . . 5368 1 185 . 1 1 45 45 ILE CA C 13 58.111 . . 1 . . . . . . . . 5368 1 186 . 1 1 45 45 ILE CB C 13 39.01 . . 1 . . . . . . . . 5368 1 187 . 1 1 45 45 ILE N N 15 122.286 . . 1 . . . . . . . . 5368 1 188 . 1 1 46 46 PRO CA C 13 64.8 . . 1 . . . . . . . . 5368 1 189 . 1 1 46 46 PRO CB C 13 33.08 . . 1 . . . . . . . . 5368 1 190 . 1 1 47 47 THR H H 1 7.362 . . 1 . . . . . . . . 5368 1 191 . 1 1 47 47 THR C C 13 177.526 . . 1 . . . . . . . . 5368 1 192 . 1 1 47 47 THR CA C 13 60.24 . . 1 . . . . . . . . 5368 1 193 . 1 1 47 47 THR CB C 13 69.93 . . 1 . . . . . . . . 5368 1 194 . 1 1 47 47 THR N N 15 107.839 . . 1 . . . . . . . . 5368 1 195 . 1 1 48 48 ILE H H 1 7.855 . . 1 . . . . . . . . 5368 1 196 . 1 1 48 48 ILE C C 13 171.617 . . 1 . . . . . . . . 5368 1 197 . 1 1 48 48 ILE CA C 13 63.698 . . 1 . . . . . . . . 5368 1 198 . 1 1 48 48 ILE CB C 13 37.6 . . 1 . . . . . . . . 5368 1 199 . 1 1 48 48 ILE N N 15 124.226 . . 1 . . . . . . . . 5368 1 200 . 1 1 49 49 GLY H H 1 8.853 . . 1 . . . . . . . . 5368 1 201 . 1 1 49 49 GLY C C 13 177.048 . . 1 . . . . . . . . 5368 1 202 . 1 1 49 49 GLY CA C 13 44.961 . . 1 . . . . . . . . 5368 1 203 . 1 1 49 49 GLY N N 15 114.564 . . 1 . . . . . . . . 5368 1 204 . 1 1 50 50 PHE H H 1 8.32 . . 1 . . . . . . . . 5368 1 205 . 1 1 50 50 PHE C C 13 173.403 . . 1 . . . . . . . . 5368 1 206 . 1 1 50 50 PHE CA C 13 54.625 . . 1 . . . . . . . . 5368 1 207 . 1 1 50 50 PHE CB C 13 40.42 . . 1 . . . . . . . . 5368 1 208 . 1 1 50 50 PHE N N 15 123.491 . . 1 . . . . . . . . 5368 1 209 . 1 1 51 51 ASN H H 1 7.732 . . 1 . . . . . . . . 5368 1 210 . 1 1 51 51 ASN C C 13 170.727 . . 1 . . . . . . . . 5368 1 211 . 1 1 51 51 ASN CA C 13 52.459 . . 1 . . . . . . . . 5368 1 212 . 1 1 51 51 ASN CB C 13 40.42 . . 1 . . . . . . . . 5368 1 213 . 1 1 51 51 ASN N N 15 122.094 . . 1 . . . . . . . . 5368 1 214 . 1 1 52 52 VAL H H 1 8.887 . . 1 . . . . . . . . 5368 1 215 . 1 1 52 52 VAL C C 13 173.836 . . 1 . . . . . . . . 5368 1 216 . 1 1 52 52 VAL CA C 13 61.597 . . 1 . . . . . . . . 5368 1 217 . 1 1 52 52 VAL CB C 13 33.86 . . 1 . . . . . . . . 5368 1 218 . 1 1 52 52 VAL N N 15 124.898 . . 1 . . . . . . . . 5368 1 219 . 1 1 53 53 GLU H H 1 8.813 . . 1 . . . . . . . . 5368 1 220 . 1 1 53 53 GLU C C 13 175.497 . . 1 . . . . . . . . 5368 1 221 . 1 1 53 53 GLU CA C 13 54.334 . . 1 . . . . . . . . 5368 1 222 . 1 1 53 53 GLU CB C 13 32.92 . . 1 . . . . . . . . 5368 1 223 . 1 1 53 53 GLU N N 15 126.352 . . 1 . . . . . . . . 5368 1 224 . 1 1 54 54 THR H H 1 8.888 . . 1 . . . . . . . . 5368 1 225 . 1 1 54 54 THR C C 13 175.495 . . 1 . . . . . . . . 5368 1 226 . 1 1 54 54 THR CA C 13 60.16 . . 1 . . . . . . . . 5368 1 227 . 1 1 54 54 THR CB C 13 72.28 . . 1 . . . . . . . . 5368 1 228 . 1 1 54 54 THR N N 15 115.242 . . 1 . . . . . . . . 5368 1 229 . 1 1 55 55 VAL H H 1 8.608 . . 1 . . . . . . . . 5368 1 230 . 1 1 55 55 VAL C C 13 173.981 . . 1 . . . . . . . . 5368 1 231 . 1 1 55 55 VAL CA C 13 61.349 . . 1 . . . . . . . . 5368 1 232 . 1 1 55 55 VAL CB C 13 35.73 . . 1 . . . . . . . . 5368 1 233 . 1 1 55 55 VAL N N 15 122.218 . . 1 . . . . . . . . 5368 1 234 . 1 1 56 56 GLU H H 1 8.539 . . 1 . . . . . . . . 5368 1 235 . 1 1 56 56 GLU CA C 13 54.824 . . 1 . . . . . . . . 5368 1 236 . 1 1 56 56 GLU CB C 13 32.45 . . 1 . . . . . . . . 5368 1 237 . 1 1 56 56 GLU N N 15 126.487 . . 1 . . . . . . . . 5368 1 238 . 1 1 57 57 TYR H H 1 9.164 . . 1 . . . . . . . . 5368 1 239 . 1 1 57 57 TYR C C 13 174.776 . . 1 . . . . . . . . 5368 1 240 . 1 1 57 57 TYR CA C 13 56.964 . . 1 . . . . . . . . 5368 1 241 . 1 1 57 57 TYR CB C 13 40.42 . . 1 . . . . . . . . 5368 1 242 . 1 1 57 57 TYR N N 15 125.717 . . 1 . . . . . . . . 5368 1 243 . 1 1 58 58 LYS H H 1 8.735 . . 1 . . . . . . . . 5368 1 244 . 1 1 58 58 LYS C C 13 173.028 . . 1 . . . . . . . . 5368 1 245 . 1 1 58 58 LYS CA C 13 58.113 . . 1 . . . . . . . . 5368 1 246 . 1 1 58 58 LYS CB C 13 28.73 . . 1 . . . . . . . . 5368 1 247 . 1 1 58 58 LYS N N 15 122.697 . . 1 . . . . . . . . 5368 1 248 . 1 1 59 59 ASN H H 1 8.978 . . 1 . . . . . . . . 5368 1 249 . 1 1 59 59 ASN C C 13 175.605 . . 1 . . . . . . . . 5368 1 250 . 1 1 59 59 ASN CA C 13 54.364 . . 1 . . . . . . . . 5368 1 251 . 1 1 59 59 ASN CB C 13 37.098 . . 1 . . . . . . . . 5368 1 252 . 1 1 59 59 ASN N N 15 118.531 . . 1 . . . . . . . . 5368 1 253 . 1 1 60 60 ILE H H 1 8.675 . . 1 . . . . . . . . 5368 1 254 . 1 1 60 60 ILE C C 13 172.683 . . 1 . . . . . . . . 5368 1 255 . 1 1 60 60 ILE CA C 13 60.132 . . 1 . . . . . . . . 5368 1 256 . 1 1 60 60 ILE CB C 13 38.505 . . 1 . . . . . . . . 5368 1 257 . 1 1 60 60 ILE N N 15 123.368 . . 1 . . . . . . . . 5368 1 258 . 1 1 61 61 SER H H 1 8.363 . . 1 . . . . . . . . 5368 1 259 . 1 1 61 61 SER C C 13 174.671 . . 1 . . . . . . . . 5368 1 260 . 1 1 61 61 SER CA C 13 56.55 . . 1 . . . . . . . . 5368 1 261 . 1 1 61 61 SER CB C 13 65.562 . . 1 . . . . . . . . 5368 1 262 . 1 1 61 61 SER N N 15 119.964 . . 1 . . . . . . . . 5368 1 263 . 1 1 62 62 PHE H H 1 9.189 . . 1 . . . . . . . . 5368 1 264 . 1 1 62 62 PHE C C 13 172.903 . . 1 . . . . . . . . 5368 1 265 . 1 1 62 62 PHE CA C 13 56.728 . . 1 . . . . . . . . 5368 1 266 . 1 1 62 62 PHE CB C 13 41.82 . . 1 . . . . . . . . 5368 1 267 . 1 1 62 62 PHE N N 15 123.58 . . 1 . . . . . . . . 5368 1 268 . 1 1 63 63 THR H H 1 8.382 . . 1 . . . . . . . . 5368 1 269 . 1 1 63 63 THR C C 13 175.675 . . 1 . . . . . . . . 5368 1 270 . 1 1 63 63 THR CA C 13 63.054 . . 1 . . . . . . . . 5368 1 271 . 1 1 63 63 THR CB C 13 70.87 . . 1 . . . . . . . . 5368 1 272 . 1 1 63 63 THR N N 15 119.645 . . 1 . . . . . . . . 5368 1 273 . 1 1 64 64 VAL H H 1 9.558 . . 1 . . . . . . . . 5368 1 274 . 1 1 64 64 VAL C C 13 172.987 . . 1 . . . . . . . . 5368 1 275 . 1 1 64 64 VAL CA C 13 60.366 . . 1 . . . . . . . . 5368 1 276 . 1 1 64 64 VAL CB C 13 35.26 . . 1 . . . . . . . . 5368 1 277 . 1 1 64 64 VAL N N 15 127.205 . . 1 . . . . . . . . 5368 1 278 . 1 1 65 65 TRP H H 1 7.53 . . 1 . . . . . . . . 5368 1 279 . 1 1 65 65 TRP C C 13 176.309 . . 1 . . . . . . . . 5368 1 280 . 1 1 65 65 TRP CA C 13 57.44 . . 1 . . . . . . . . 5368 1 281 . 1 1 65 65 TRP CB C 13 30.58 . . 1 . . . . . . . . 5368 1 282 . 1 1 65 65 TRP N N 15 122.739 . . 1 . . . . . . . . 5368 1 283 . 1 1 66 66 ASP H H 1 8.909 . . 1 . . . . . . . . 5368 1 284 . 1 1 66 66 ASP CA C 13 53.368 . . 1 . . . . . . . . 5368 1 285 . 1 1 66 66 ASP CB C 13 41.35 . . 1 . . . . . . . . 5368 1 286 . 1 1 66 66 ASP N N 15 117.297 . . 1 . . . . . . . . 5368 1 287 . 1 1 67 67 VAL H H 1 7.852 . . 1 . . . . . . . . 5368 1 288 . 1 1 67 67 VAL C C 13 176.819 . . 1 . . . . . . . . 5368 1 289 . 1 1 67 67 VAL CA C 13 59.601 . . 1 . . . . . . . . 5368 1 290 . 1 1 67 67 VAL CB C 13 31.98 . . 1 . . . . . . . . 5368 1 291 . 1 1 67 67 VAL N N 15 114.371 . . 1 . . . . . . . . 5368 1 292 . 1 1 68 68 GLY H H 1 8.213 . . 1 . . . . . . . . 5368 1 293 . 1 1 68 68 GLY C C 13 175.236 . . 1 . . . . . . . . 5368 1 294 . 1 1 68 68 GLY CA C 13 45.214 . . 1 . . . . . . . . 5368 1 295 . 1 1 68 68 GLY N N 15 107.381 . . 1 . . . . . . . . 5368 1 296 . 1 1 69 69 GLY H H 1 8.749 . . 1 . . . . . . . . 5368 1 297 . 1 1 69 69 GLY C C 13 174.398 . . 1 . . . . . . . . 5368 1 298 . 1 1 69 69 GLY CA C 13 45.699 . . 1 . . . . . . . . 5368 1 299 . 1 1 69 69 GLY N N 15 110.323 . . 1 . . . . . . . . 5368 1 300 . 1 1 70 70 GLN H H 1 8.541 . . 1 . . . . . . . . 5368 1 301 . 1 1 70 70 GLN C C 13 174.854 . . 1 . . . . . . . . 5368 1 302 . 1 1 70 70 GLN CA C 13 56.245 . . 1 . . . . . . . . 5368 1 303 . 1 1 70 70 GLN CB C 13 29.17 . . 1 . . . . . . . . 5368 1 304 . 1 1 70 70 GLN N N 15 119.36 . . 1 . . . . . . . . 5368 1 305 . 1 1 71 71 ASP H H 1 8.568 . . 1 . . . . . . . . 5368 1 306 . 1 1 71 71 ASP C C 13 176.776 . . 1 . . . . . . . . 5368 1 307 . 1 1 71 71 ASP CA C 13 56.521 . . 1 . . . . . . . . 5368 1 308 . 1 1 71 71 ASP CB C 13 40.492 . . 1 . . . . . . . . 5368 1 309 . 1 1 71 71 ASP N N 15 121.267 . . 1 . . . . . . . . 5368 1 310 . 1 1 72 72 LYS H H 1 7.029 . . 1 . . . . . . . . 5368 1 311 . 1 1 72 72 LYS C C 13 177.18 . . 1 . . . . . . . . 5368 1 312 . 1 1 72 72 LYS CA C 13 58.9 . . 1 . . . . . . . . 5368 1 313 . 1 1 72 72 LYS N N 15 115.76 . . 1 . . . . . . . . 5368 1 314 . 1 1 73 73 ILE CA C 13 53.8 . . 1 . . . . . . . . 5368 1 315 . 1 1 73 73 ILE CB C 13 32.2 . . 1 . . . . . . . . 5368 1 316 . 1 1 74 74 ARG H H 1 9.601 . . 1 . . . . . . . . 5368 1 317 . 1 1 74 74 ARG C C 13 179.148 . . 1 . . . . . . . . 5368 1 318 . 1 1 74 74 ARG CA C 13 59.03 . . 1 . . . . . . . . 5368 1 319 . 1 1 74 74 ARG CB C 13 30.2 . . 1 . . . . . . . . 5368 1 320 . 1 1 74 74 ARG N N 15 116.538 . . 1 . . . . . . . . 5368 1 321 . 1 1 77 77 TRP CA C 13 60.5 . . 1 . . . . . . . . 5368 1 322 . 1 1 78 78 ARG H H 1 6.905 . . 1 . . . . . . . . 5368 1 323 . 1 1 78 78 ARG C C 13 175.109 . . 1 . . . . . . . . 5368 1 324 . 1 1 78 78 ARG CA C 13 58.35 . . 1 . . . . . . . . 5368 1 325 . 1 1 78 78 ARG N N 15 120.969 . . 1 . . . . . . . . 5368 1 326 . 1 1 80 80 TYR H H 1 7.382 . . 1 . . . . . . . . 5368 1 327 . 1 1 80 80 TYR C C 13 176.667 . . 1 . . . . . . . . 5368 1 328 . 1 1 80 80 TYR CA C 13 59.2 . . 1 . . . . . . . . 5368 1 329 . 1 1 80 80 TYR CB C 13 38.54 . . 1 . . . . . . . . 5368 1 330 . 1 1 80 80 TYR N N 15 115.758 . . 1 . . . . . . . . 5368 1 331 . 1 1 81 81 PHE H H 1 7.623 . . 1 . . . . . . . . 5368 1 332 . 1 1 81 81 PHE CA C 13 55.908 . . 1 . . . . . . . . 5368 1 333 . 1 1 81 81 PHE CB C 13 38.07 . . 1 . . . . . . . . 5368 1 334 . 1 1 81 81 PHE N N 15 115.435 . . 1 . . . . . . . . 5368 1 335 . 1 1 82 82 GLN H H 1 7.538 . . 1 . . . . . . . . 5368 1 336 . 1 1 82 82 GLN C C 13 177.646 . . 1 . . . . . . . . 5368 1 337 . 1 1 82 82 GLN CA C 13 57.887 . . 1 . . . . . . . . 5368 1 338 . 1 1 82 82 GLN CB C 13 28.7 . . 1 . . . . . . . . 5368 1 339 . 1 1 82 82 GLN N N 15 118.477 . . 1 . . . . . . . . 5368 1 340 . 1 1 83 83 ASN H H 1 8.834 . . 1 . . . . . . . . 5368 1 341 . 1 1 83 83 ASN C C 13 175.852 . . 1 . . . . . . . . 5368 1 342 . 1 1 83 83 ASN CA C 13 54.054 . . 1 . . . . . . . . 5368 1 343 . 1 1 83 83 ASN CB C 13 37.14 . . 1 . . . . . . . . 5368 1 344 . 1 1 83 83 ASN N N 15 117.518 . . 1 . . . . . . . . 5368 1 345 . 1 1 84 84 THR H H 1 7.969 . . 1 . . . . . . . . 5368 1 346 . 1 1 84 84 THR C C 13 174.88 . . 1 . . . . . . . . 5368 1 347 . 1 1 84 84 THR CA C 13 64.919 . . 1 . . . . . . . . 5368 1 348 . 1 1 84 84 THR CB C 13 69 . . 1 . . . . . . . . 5368 1 349 . 1 1 84 84 THR N N 15 117.122 . . 1 . . . . . . . . 5368 1 350 . 1 1 85 85 GLN H H 1 8.647 . . 1 . . . . . . . . 5368 1 351 . 1 1 85 85 GLN C C 13 175.035 . . 1 . . . . . . . . 5368 1 352 . 1 1 85 85 GLN CA C 13 56.814 . . 1 . . . . . . . . 5368 1 353 . 1 1 85 85 GLN CB C 13 31.05 . . 1 . . . . . . . . 5368 1 354 . 1 1 85 85 GLN N N 15 124.621 . . 1 . . . . . . . . 5368 1 355 . 1 1 86 86 GLY H H 1 7.613 . . 1 . . . . . . . . 5368 1 356 . 1 1 86 86 GLY C C 13 175.672 . . 1 . . . . . . . . 5368 1 357 . 1 1 86 86 GLY CA C 13 44.762 . . 1 . . . . . . . . 5368 1 358 . 1 1 86 86 GLY N N 15 103.996 . . 1 . . . . . . . . 5368 1 359 . 1 1 87 87 LEU H H 1 9.301 . . 1 . . . . . . . . 5368 1 360 . 1 1 87 87 LEU CA C 13 54.43 . . 1 . . . . . . . . 5368 1 361 . 1 1 87 87 LEU CB C 13 45.57 . . 1 . . . . . . . . 5368 1 362 . 1 1 87 87 LEU N N 15 126.58 . . 1 . . . . . . . . 5368 1 363 . 1 1 88 88 ILE H H 1 9.65 . . 1 . . . . . . . . 5368 1 364 . 1 1 88 88 ILE C C 13 173.047 . . 1 . . . . . . . . 5368 1 365 . 1 1 88 88 ILE CA C 13 58.908 . . 1 . . . . . . . . 5368 1 366 . 1 1 88 88 ILE CB C 13 39.01 . . 1 . . . . . . . . 5368 1 367 . 1 1 88 88 ILE N N 15 125.71 . . 1 . . . . . . . . 5368 1 368 . 1 1 89 89 PHE H H 1 9.283 . . 1 . . . . . . . . 5368 1 369 . 1 1 89 89 PHE C C 13 174.344 . . 1 . . . . . . . . 5368 1 370 . 1 1 89 89 PHE CA C 13 56 . . 1 . . . . . . . . 5368 1 371 . 1 1 89 89 PHE CB C 13 43.22 . . 1 . . . . . . . . 5368 1 372 . 1 1 89 89 PHE N N 15 129.567 . . 1 . . . . . . . . 5368 1 373 . 1 1 90 90 VAL H H 1 8.395 . . 1 . . . . . . . . 5368 1 374 . 1 1 90 90 VAL C C 13 174.393 . . 1 . . . . . . . . 5368 1 375 . 1 1 90 90 VAL CA C 13 61.621 . . 1 . . . . . . . . 5368 1 376 . 1 1 90 90 VAL CB C 13 32.91 . . 1 . . . . . . . . 5368 1 377 . 1 1 90 90 VAL N N 15 128.434 . . 1 . . . . . . . . 5368 1 378 . 1 1 91 91 VAL H H 1 8.813 . . 1 . . . . . . . . 5368 1 379 . 1 1 91 91 VAL C C 13 173.606 . . 1 . . . . . . . . 5368 1 380 . 1 1 91 91 VAL CA C 13 59.504 . . 1 . . . . . . . . 5368 1 381 . 1 1 91 91 VAL CB C 13 36.2 . . 1 . . . . . . . . 5368 1 382 . 1 1 91 91 VAL N N 15 123.207 . . 1 . . . . . . . . 5368 1 383 . 1 1 92 92 ASP H H 1 9.183 . . 1 . . . . . . . . 5368 1 384 . 1 1 92 92 ASP C C 13 173.679 . . 1 . . . . . . . . 5368 1 385 . 1 1 92 92 ASP CA C 13 53.563 . . 1 . . . . . . . . 5368 1 386 . 1 1 92 92 ASP CB C 13 40.88 . . 1 . . . . . . . . 5368 1 387 . 1 1 92 92 ASP N N 15 124.201 . . 1 . . . . . . . . 5368 1 388 . 1 1 93 93 SER H H 1 8.49 . . 1 . . . . . . . . 5368 1 389 . 1 1 93 93 SER C C 13 177.524 . . 1 . . . . . . . . 5368 1 390 . 1 1 93 93 SER CA C 13 61.3 . . 1 . . . . . . . . 5368 1 391 . 1 1 93 93 SER CB C 13 62.91 . . 1 . . . . . . . . 5368 1 392 . 1 1 93 93 SER N N 15 123.839 . . 1 . . . . . . . . 5368 1 393 . 1 1 94 94 ASN H H 1 9.169 . . 1 . . . . . . . . 5368 1 394 . 1 1 94 94 ASN C C 13 172.796 . . 1 . . . . . . . . 5368 1 395 . 1 1 94 94 ASN CA C 13 53.067 . . 1 . . . . . . . . 5368 1 396 . 1 1 94 94 ASN CB C 13 41.82 . . 1 . . . . . . . . 5368 1 397 . 1 1 94 94 ASN N N 15 117.895 . . 1 . . . . . . . . 5368 1 398 . 1 1 95 95 ASP H H 1 6.983 . . 1 . . . . . . . . 5368 1 399 . 1 1 95 95 ASP C C 13 174.049 . . 1 . . . . . . . . 5368 1 400 . 1 1 95 95 ASP CA C 13 51.758 . . 1 . . . . . . . . 5368 1 401 . 1 1 95 95 ASP CB C 13 39.48 . . 1 . . . . . . . . 5368 1 402 . 1 1 95 95 ASP N N 15 119.49 . . 1 . . . . . . . . 5368 1 403 . 1 1 96 96 ARG H H 1 8.1 . . 1 . . . . . . . . 5368 1 404 . 1 1 96 96 ARG C C 13 176.599 . . 1 . . . . . . . . 5368 1 405 . 1 1 96 96 ARG CA C 13 59.067 . . 1 . . . . . . . . 5368 1 406 . 1 1 96 96 ARG CB C 13 30.11 . . 1 . . . . . . . . 5368 1 407 . 1 1 96 96 ARG N N 15 124.184 . . 1 . . . . . . . . 5368 1 408 . 1 1 97 97 GLU H H 1 8.477 . . 1 . . . . . . . . 5368 1 409 . 1 1 97 97 GLU C C 13 178.52 . . 1 . . . . . . . . 5368 1 410 . 1 1 97 97 GLU CA C 13 58.987 . . 1 . . . . . . . . 5368 1 411 . 1 1 97 97 GLU CB C 13 29.64 . . 1 . . . . . . . . 5368 1 412 . 1 1 97 97 GLU N N 15 118.61 . . 1 . . . . . . . . 5368 1 413 . 1 1 98 98 ARG H H 1 7.397 . . 1 . . . . . . . . 5368 1 414 . 1 1 98 98 ARG C C 13 178.625 . . 1 . . . . . . . . 5368 1 415 . 1 1 98 98 ARG CA C 13 56.531 . . 1 . . . . . . . . 5368 1 416 . 1 1 98 98 ARG CB C 13 31.05 . . 1 . . . . . . . . 5368 1 417 . 1 1 98 98 ARG N N 15 114.211 . . 1 . . . . . . . . 5368 1 418 . 1 1 99 99 VAL H H 1 7.067 . . 1 . . . . . . . . 5368 1 419 . 1 1 99 99 VAL C C 13 177.096 . . 1 . . . . . . . . 5368 1 420 . 1 1 99 99 VAL CA C 13 65.782 . . 1 . . . . . . . . 5368 1 421 . 1 1 99 99 VAL CB C 13 31.67 . . 1 . . . . . . . . 5368 1 422 . 1 1 99 99 VAL N N 15 121.498 . . 1 . . . . . . . . 5368 1 423 . 1 1 100 100 ASN H H 1 8.382 . . 1 . . . . . . . . 5368 1 424 . 1 1 100 100 ASN C C 13 175.28 . . 1 . . . . . . . . 5368 1 425 . 1 1 100 100 ASN CA C 13 56.55 . . 1 . . . . . . . . 5368 1 426 . 1 1 100 100 ASN CB C 13 37.6 . . 1 . . . . . . . . 5368 1 427 . 1 1 100 100 ASN N N 15 119.645 . . 1 . . . . . . . . 5368 1 428 . 1 1 101 101 GLU H H 1 7.748 . . 1 . . . . . . . . 5368 1 429 . 1 1 101 101 GLU C C 13 177.316 . . 1 . . . . . . . . 5368 1 430 . 1 1 101 101 GLU CA C 13 59.331 . . 1 . . . . . . . . 5368 1 431 . 1 1 101 101 GLU CB C 13 29.17 . . 1 . . . . . . . . 5368 1 432 . 1 1 101 101 GLU N N 15 123.042 . . 1 . . . . . . . . 5368 1 433 . 1 1 102 102 ALA H H 1 8.09 . . 1 . . . . . . . . 5368 1 434 . 1 1 102 102 ALA C C 13 178.479 . . 1 . . . . . . . . 5368 1 435 . 1 1 102 102 ALA CA C 13 56.032 . . 1 . . . . . . . . 5368 1 436 . 1 1 102 102 ALA CB C 13 17.9 . . 1 . . . . . . . . 5368 1 437 . 1 1 102 102 ALA N N 15 121.952 . . 1 . . . . . . . . 5368 1 438 . 1 1 103 103 ARG H H 1 8.139 . . 1 . . . . . . . . 5368 1 439 . 1 1 103 103 ARG C C 13 178.296 . . 1 . . . . . . . . 5368 1 440 . 1 1 103 103 ARG CA C 13 60.248 . . 1 . . . . . . . . 5368 1 441 . 1 1 103 103 ARG CB C 13 29.64 . . 1 . . . . . . . . 5368 1 442 . 1 1 103 103 ARG N N 15 116.863 . . 1 . . . . . . . . 5368 1 443 . 1 1 104 104 GLU H H 1 8.119 . . 1 . . . . . . . . 5368 1 444 . 1 1 104 104 GLU C C 13 177.561 . . 1 . . . . . . . . 5368 1 445 . 1 1 104 104 GLU CA C 13 59.614 . . 1 . . . . . . . . 5368 1 446 . 1 1 104 104 GLU CB C 13 29.8 . . 1 . . . . . . . . 5368 1 447 . 1 1 104 104 GLU N N 15 117.96 . . 1 . . . . . . . . 5368 1 448 . 1 1 105 105 GLU H H 1 8.358 . . 1 . . . . . . . . 5368 1 449 . 1 1 105 105 GLU C C 13 180.055 . . 1 . . . . . . . . 5368 1 450 . 1 1 105 105 GLU CA C 13 58.612 . . 1 . . . . . . . . 5368 1 451 . 1 1 105 105 GLU CB C 13 29.8 . . 1 . . . . . . . . 5368 1 452 . 1 1 105 105 GLU N N 15 117.371 . . 1 . . . . . . . . 5368 1 453 . 1 1 106 106 LEU H H 1 8.426 . . 1 . . . . . . . . 5368 1 454 . 1 1 106 106 LEU C C 13 179.641 . . 1 . . . . . . . . 5368 1 455 . 1 1 106 106 LEU CA C 13 58.592 . . 1 . . . . . . . . 5368 1 456 . 1 1 106 106 LEU CB C 13 39.48 . . 1 . . . . . . . . 5368 1 457 . 1 1 106 106 LEU N N 15 122.908 . . 1 . . . . . . . . 5368 1 458 . 1 1 107 107 MET H H 1 8.5 . . 1 . . . . . . . . 5368 1 459 . 1 1 107 107 MET C C 13 178.144 . . 1 . . . . . . . . 5368 1 460 . 1 1 107 107 MET CA C 13 57.334 . . 1 . . . . . . . . 5368 1 461 . 1 1 107 107 MET CB C 13 30.58 . . 1 . . . . . . . . 5368 1 462 . 1 1 107 107 MET N N 15 115.436 . . 1 . . . . . . . . 5368 1 463 . 1 1 108 108 ARG H H 1 8.021 . . 1 . . . . . . . . 5368 1 464 . 1 1 108 108 ARG C C 13 179.859 . . 1 . . . . . . . . 5368 1 465 . 1 1 108 108 ARG CA C 13 59.693 . . 1 . . . . . . . . 5368 1 466 . 1 1 108 108 ARG CB C 13 30.74 . . 1 . . . . . . . . 5368 1 467 . 1 1 108 108 ARG N N 15 119.412 . . 1 . . . . . . . . 5368 1 468 . 1 1 109 109 MET H H 1 7.709 . . 1 . . . . . . . . 5368 1 469 . 1 1 109 109 MET C C 13 179.9 . . 1 . . . . . . . . 5368 1 470 . 1 1 109 109 MET CA C 13 58.774 . . 1 . . . . . . . . 5368 1 471 . 1 1 109 109 MET CB C 13 31.98 . . 1 . . . . . . . . 5368 1 472 . 1 1 109 109 MET N N 15 118.958 . . 1 . . . . . . . . 5368 1 473 . 1 1 110 110 LEU H H 1 8.033 . . 1 . . . . . . . . 5368 1 474 . 1 1 110 110 LEU C C 13 177.605 . . 1 . . . . . . . . 5368 1 475 . 1 1 110 110 LEU CA C 13 55.987 . . 1 . . . . . . . . 5368 1 476 . 1 1 110 110 LEU CB C 13 40.42 . . 1 . . . . . . . . 5368 1 477 . 1 1 110 110 LEU N N 15 114.174 . . 1 . . . . . . . . 5368 1 478 . 1 1 111 111 ALA H H 1 7.164 . . 1 . . . . . . . . 5368 1 479 . 1 1 111 111 ALA C C 13 177.09 . . 1 . . . . . . . . 5368 1 480 . 1 1 111 111 ALA CA C 13 52.237 . . 1 . . . . . . . . 5368 1 481 . 1 1 111 111 ALA CB C 13 18.7 . . 1 . . . . . . . . 5368 1 482 . 1 1 111 111 ALA N N 15 120.222 . . 1 . . . . . . . . 5368 1 483 . 1 1 112 112 GLU H H 1 7.391 . . 1 . . . . . . . . 5368 1 484 . 1 1 112 112 GLU C C 13 178.308 . . 1 . . . . . . . . 5368 1 485 . 1 1 112 112 GLU CA C 13 56.274 . . 1 . . . . . . . . 5368 1 486 . 1 1 112 112 GLU CB C 13 28.23 . . 1 . . . . . . . . 5368 1 487 . 1 1 112 112 GLU N N 15 118.736 . . 1 . . . . . . . . 5368 1 488 . 1 1 115 115 LEU H H 1 8.909 . . 1 . . . . . . . . 5368 1 489 . 1 1 115 115 LEU CA C 13 53.368 . . 1 . . . . . . . . 5368 1 490 . 1 1 115 115 LEU CB C 13 41.35 . . 1 . . . . . . . . 5368 1 491 . 1 1 115 115 LEU N N 15 117.297 . . 1 . . . . . . . . 5368 1 492 . 1 1 116 116 ARG H H 1 7.49 . . 1 . . . . . . . . 5368 1 493 . 1 1 116 116 ARG C C 13 178.119 . . 1 . . . . . . . . 5368 1 494 . 1 1 116 116 ARG CA C 13 60.14 . . 1 . . . . . . . . 5368 1 495 . 1 1 116 116 ARG CB C 13 30.47 . . 1 . . . . . . . . 5368 1 496 . 1 1 116 116 ARG N N 15 122.74 . . 1 . . . . . . . . 5368 1 497 . 1 1 117 117 ASP H H 1 8.487 . . 1 . . . . . . . . 5368 1 498 . 1 1 117 117 ASP C C 13 175.875 . . 1 . . . . . . . . 5368 1 499 . 1 1 117 117 ASP CA C 13 54.038 . . 1 . . . . . . . . 5368 1 500 . 1 1 117 117 ASP CB C 13 41.82 . . 1 . . . . . . . . 5368 1 501 . 1 1 117 117 ASP N N 15 115.171 . . 1 . . . . . . . . 5368 1 502 . 1 1 118 118 ALA H H 1 7.213 . . 1 . . . . . . . . 5368 1 503 . 1 1 118 118 ALA C C 13 176.167 . . 1 . . . . . . . . 5368 1 504 . 1 1 118 118 ALA CA C 13 52.824 . . 1 . . . . . . . . 5368 1 505 . 1 1 118 118 ALA CB C 13 18.4 . . 1 . . . . . . . . 5368 1 506 . 1 1 118 118 ALA N N 15 122.369 . . 1 . . . . . . . . 5368 1 507 . 1 1 119 119 VAL H H 1 7.608 . . 1 . . . . . . . . 5368 1 508 . 1 1 119 119 VAL C C 13 178.056 . . 1 . . . . . . . . 5368 1 509 . 1 1 119 119 VAL CA C 13 62.772 . . 1 . . . . . . . . 5368 1 510 . 1 1 119 119 VAL CB C 13 32.45 . . 1 . . . . . . . . 5368 1 511 . 1 1 119 119 VAL N N 15 122.376 . . 1 . . . . . . . . 5368 1 512 . 1 1 120 120 LEU H H 1 8.532 . . 1 . . . . . . . . 5368 1 513 . 1 1 120 120 LEU CA C 13 53.695 . . 1 . . . . . . . . 5368 1 514 . 1 1 120 120 LEU CB C 13 45.57 . . 1 . . . . . . . . 5368 1 515 . 1 1 120 120 LEU N N 15 126.853 . . 1 . . . . . . . . 5368 1 516 . 1 1 121 121 LEU H H 1 9.274 . . 1 . . . . . . . . 5368 1 517 . 1 1 121 121 LEU C C 13 172.739 . . 1 . . . . . . . . 5368 1 518 . 1 1 121 121 LEU CA C 13 52.351 . . 1 . . . . . . . . 5368 1 519 . 1 1 121 121 LEU CB C 13 46.03 . . 1 . . . . . . . . 5368 1 520 . 1 1 121 121 LEU N N 15 128.909 . . 1 . . . . . . . . 5368 1 521 . 1 1 122 122 VAL H H 1 9.141 . . 1 . . . . . . . . 5368 1 522 . 1 1 122 122 VAL C C 13 173.984 . . 1 . . . . . . . . 5368 1 523 . 1 1 122 122 VAL CA C 13 60.074 . . 1 . . . . . . . . 5368 1 524 . 1 1 122 122 VAL CB C 13 33.39 . . 1 . . . . . . . . 5368 1 525 . 1 1 122 122 VAL N N 15 126.013 . . 1 . . . . . . . . 5368 1 526 . 1 1 123 123 PHE H H 1 8.803 . . 1 . . . . . . . . 5368 1 527 . 1 1 123 123 PHE C C 13 175.896 . . 1 . . . . . . . . 5368 1 528 . 1 1 123 123 PHE CA C 13 52.945 . . 1 . . . . . . . . 5368 1 529 . 1 1 123 123 PHE CB C 13 39.48 . . 1 . . . . . . . . 5368 1 530 . 1 1 123 123 PHE N N 15 125.332 . . 1 . . . . . . . . 5368 1 531 . 1 1 124 124 ALA H H 1 8.704 . . 1 . . . . . . . . 5368 1 532 . 1 1 124 124 ALA C C 13 174.593 . . 1 . . . . . . . . 5368 1 533 . 1 1 124 124 ALA CA C 13 50.181 . . 1 . . . . . . . . 5368 1 534 . 1 1 124 124 ALA CB C 13 18.4 . . 1 . . . . . . . . 5368 1 535 . 1 1 124 124 ALA N N 15 129.054 . . 1 . . . . . . . . 5368 1 536 . 1 1 125 125 ASN H H 1 8.792 . . 1 . . . . . . . . 5368 1 537 . 1 1 125 125 ASN C C 13 174.657 . . 1 . . . . . . . . 5368 1 538 . 1 1 125 125 ASN CA C 13 52.911 . . 1 . . . . . . . . 5368 1 539 . 1 1 125 125 ASN CB C 13 41.35 . . 1 . . . . . . . . 5368 1 540 . 1 1 125 125 ASN N N 15 121.781 . . 1 . . . . . . . . 5368 1 541 . 1 1 126 126 LYS H H 1 7.723 . . 1 . . . . . . . . 5368 1 542 . 1 1 126 126 LYS C C 13 176.745 . . 1 . . . . . . . . 5368 1 543 . 1 1 126 126 LYS CA C 13 57.232 . . 1 . . . . . . . . 5368 1 544 . 1 1 126 126 LYS CB C 13 28.7 . . 1 . . . . . . . . 5368 1 545 . 1 1 126 126 LYS N N 15 117.152 . . 1 . . . . . . . . 5368 1 546 . 1 1 127 127 GLN H H 1 8.044 . . 1 . . . . . . . . 5368 1 547 . 1 1 127 127 GLN C C 13 176.282 . . 1 . . . . . . . . 5368 1 548 . 1 1 127 127 GLN CA C 13 57.139 . . 1 . . . . . . . . 5368 1 549 . 1 1 127 127 GLN CB C 13 28.86 . . 1 . . . . . . . . 5368 1 550 . 1 1 127 127 GLN N N 15 112.969 . . 1 . . . . . . . . 5368 1 551 . 1 1 128 128 ASP H H 1 9.834 . . 1 . . . . . . . . 5368 1 552 . 1 1 128 128 ASP C C 13 174.875 . . 1 . . . . . . . . 5368 1 553 . 1 1 128 128 ASP CA C 13 54.365 . . 1 . . . . . . . . 5368 1 554 . 1 1 128 128 ASP CB C 13 40.565 . . 1 . . . . . . . . 5368 1 555 . 1 1 128 128 ASP N N 15 114.122 . . 1 . . . . . . . . 5368 1 556 . 1 1 129 129 LEU H H 1 7.307 . . 1 . . . . . . . . 5368 1 557 . 1 1 129 129 LEU C C 13 176.655 . . 1 . . . . . . . . 5368 1 558 . 1 1 129 129 LEU CA C 13 53.258 . . 1 . . . . . . . . 5368 1 559 . 1 1 129 129 LEU CB C 13 39.519 . . 1 . . . . . . . . 5368 1 560 . 1 1 129 129 LEU N N 15 122.51 . . 1 . . . . . . . . 5368 1 561 . 1 1 130 130 PRO CA C 13 64.76 . . 1 . . . . . . . . 5368 1 562 . 1 1 130 130 PRO CB C 13 32.14 . . 1 . . . . . . . . 5368 1 563 . 1 1 131 131 ASN H H 1 8.59 . . 1 . . . . . . . . 5368 1 564 . 1 1 131 131 ASN C C 13 177.494 . . 1 . . . . . . . . 5368 1 565 . 1 1 131 131 ASN CA C 13 52.335 . . 1 . . . . . . . . 5368 1 566 . 1 1 131 131 ASN CB C 13 38.54 . . 1 . . . . . . . . 5368 1 567 . 1 1 131 131 ASN N N 15 115.07 . . 1 . . . . . . . . 5368 1 568 . 1 1 132 132 ALA H H 1 7.344 . . 1 . . . . . . . . 5368 1 569 . 1 1 132 132 ALA C C 13 175.15 . . 1 . . . . . . . . 5368 1 570 . 1 1 132 132 ALA CA C 13 53.403 . . 1 . . . . . . . . 5368 1 571 . 1 1 132 132 ALA CB C 13 38.7 . . 1 . . . . . . . . 5368 1 572 . 1 1 132 132 ALA N N 15 122.087 . . 1 . . . . . . . . 5368 1 573 . 1 1 133 133 MET H H 1 8.252 . . 1 . . . . . . . . 5368 1 574 . 1 1 133 133 MET C C 13 178.504 . . 1 . . . . . . . . 5368 1 575 . 1 1 133 133 MET CA C 13 56.576 . . 1 . . . . . . . . 5368 1 576 . 1 1 133 133 MET CB C 13 35.73 . . 1 . . . . . . . . 5368 1 577 . 1 1 133 133 MET N N 15 122.774 . . 1 . . . . . . . . 5368 1 578 . 1 1 134 134 ASN H H 1 8.78 . . 1 . . . . . . . . 5368 1 579 . 1 1 134 134 ASN C C 13 175.152 . . 1 . . . . . . . . 5368 1 580 . 1 1 134 134 ASN CA C 13 51.52 . . 1 . . . . . . . . 5368 1 581 . 1 1 134 134 ASN CB C 13 39.01 . . 1 . . . . . . . . 5368 1 582 . 1 1 134 134 ASN N N 15 118.9 . . 1 . . . . . . . . 5368 1 583 . 1 1 135 135 ALA H H 1 8.94 . . 1 . . . . . . . . 5368 1 584 . 1 1 135 135 ALA C C 13 175.395 . . 1 . . . . . . . . 5368 1 585 . 1 1 135 135 ALA CA C 13 55.926 . . 1 . . . . . . . . 5368 1 586 . 1 1 135 135 ALA CB C 13 18.7 . . 1 . . . . . . . . 5368 1 587 . 1 1 135 135 ALA N N 15 119.446 . . 1 . . . . . . . . 5368 1 588 . 1 1 136 136 ALA H H 1 8.439 . . 1 . . . . . . . . 5368 1 589 . 1 1 136 136 ALA C C 13 180.005 . . 1 . . . . . . . . 5368 1 590 . 1 1 136 136 ALA CA C 13 55.882 . . 1 . . . . . . . . 5368 1 591 . 1 1 136 136 ALA CB C 13 19.92 . . 1 . . . . . . . . 5368 1 592 . 1 1 136 136 ALA N N 15 124.056 . . 1 . . . . . . . . 5368 1 593 . 1 1 137 137 GLU H H 1 8.366 . . 1 . . . . . . . . 5368 1 594 . 1 1 137 137 GLU C C 13 180.124 . . 1 . . . . . . . . 5368 1 595 . 1 1 137 137 GLU CA C 13 59.318 . . 1 . . . . . . . . 5368 1 596 . 1 1 137 137 GLU CB C 13 29.64 . . 1 . . . . . . . . 5368 1 597 . 1 1 137 137 GLU N N 15 121.738 . . 1 . . . . . . . . 5368 1 598 . 1 1 138 138 ILE H H 1 8.436 . . 1 . . . . . . . . 5368 1 599 . 1 1 138 138 ILE C C 13 179.332 . . 1 . . . . . . . . 5368 1 600 . 1 1 138 138 ILE CA C 13 63.924 . . 1 . . . . . . . . 5368 1 601 . 1 1 138 138 ILE CB C 13 36.2 . . 1 . . . . . . . . 5368 1 602 . 1 1 138 138 ILE N N 15 119.426 . . 1 . . . . . . . . 5368 1 603 . 1 1 139 139 THR H H 1 8.236 . . 1 . . . . . . . . 5368 1 604 . 1 1 139 139 THR C C 13 177.029 . . 1 . . . . . . . . 5368 1 605 . 1 1 139 139 THR CA C 13 67.95 . . 1 . . . . . . . . 5368 1 606 . 1 1 139 139 THR CB C 13 67.95 . . 1 . . . . . . . . 5368 1 607 . 1 1 139 139 THR N N 15 117.24 . . 1 . . . . . . . . 5368 1 608 . 1 1 140 140 ASP H H 1 7.399 . . 1 . . . . . . . . 5368 1 609 . 1 1 140 140 ASP C C 13 176.172 . . 1 . . . . . . . . 5368 1 610 . 1 1 140 140 ASP CA C 13 57.595 . . 1 . . . . . . . . 5368 1 611 . 1 1 140 140 ASP CB C 13 41.35 . . 1 . . . . . . . . 5368 1 612 . 1 1 140 140 ASP N N 15 120.617 . . 1 . . . . . . . . 5368 1 613 . 1 1 141 141 LYS H H 1 8.591 . . 1 . . . . . . . . 5368 1 614 . 1 1 141 141 LYS C C 13 179.128 . . 1 . . . . . . . . 5368 1 615 . 1 1 141 141 LYS CA C 13 58.828 . . 1 . . . . . . . . 5368 1 616 . 1 1 141 141 LYS CB C 13 32.92 . . 1 . . . . . . . . 5368 1 617 . 1 1 141 141 LYS N N 15 119.094 . . 1 . . . . . . . . 5368 1 618 . 1 1 142 142 LEU H H 1 8.384 . . 1 . . . . . . . . 5368 1 619 . 1 1 142 142 LEU C C 13 178.699 . . 1 . . . . . . . . 5368 1 620 . 1 1 142 142 LEU CA C 13 55.076 . . 1 . . . . . . . . 5368 1 621 . 1 1 142 142 LEU CB C 13 41.82 . . 1 . . . . . . . . 5368 1 622 . 1 1 142 142 LEU N N 15 115.2 . . 1 . . . . . . . . 5368 1 623 . 1 1 143 143 GLY H H 1 7.393 . . 1 . . . . . . . . 5368 1 624 . 1 1 143 143 GLY C C 13 175.426 . . 1 . . . . . . . . 5368 1 625 . 1 1 143 143 GLY CA C 13 46.413 . . 1 . . . . . . . . 5368 1 626 . 1 1 143 143 GLY N N 15 104.213 . . 1 . . . . . . . . 5368 1 627 . 1 1 144 144 LEU H H 1 7.278 . . 1 . . . . . . . . 5368 1 628 . 1 1 144 144 LEU C C 13 177.27 . . 1 . . . . . . . . 5368 1 629 . 1 1 144 144 LEU CA C 13 56.941 . . 1 . . . . . . . . 5368 1 630 . 1 1 144 144 LEU CB C 13 38.07 . . 1 . . . . . . . . 5368 1 631 . 1 1 144 144 LEU N N 15 116.144 . . 1 . . . . . . . . 5368 1 632 . 1 1 145 145 HIS H H 1 8.036 . . 1 . . . . . . . . 5368 1 633 . 1 1 145 145 HIS C C 13 177.408 . . 1 . . . . . . . . 5368 1 634 . 1 1 145 145 HIS CA C 13 58.738 . . 1 . . . . . . . . 5368 1 635 . 1 1 145 145 HIS CB C 13 30.11 . . 1 . . . . . . . . 5368 1 636 . 1 1 145 145 HIS N N 15 112.164 . . 1 . . . . . . . . 5368 1 637 . 1 1 146 146 SER H H 1 7.589 . . 1 . . . . . . . . 5368 1 638 . 1 1 146 146 SER C C 13 176.847 . . 1 . . . . . . . . 5368 1 639 . 1 1 146 146 SER CA C 13 59.088 . . 1 . . . . . . . . 5368 1 640 . 1 1 146 146 SER CB C 13 63.84 . . 1 . . . . . . . . 5368 1 641 . 1 1 146 146 SER N N 15 113.384 . . 1 . . . . . . . . 5368 1 642 . 1 1 147 147 LEU H H 1 7.301 . . 1 . . . . . . . . 5368 1 643 . 1 1 147 147 LEU C C 13 174.677 . . 1 . . . . . . . . 5368 1 644 . 1 1 147 147 LEU CA C 13 54.866 . . 1 . . . . . . . . 5368 1 645 . 1 1 147 147 LEU CB C 13 40.89 . . 1 . . . . . . . . 5368 1 646 . 1 1 147 147 LEU N N 15 122.626 . . 1 . . . . . . . . 5368 1 647 . 1 1 148 148 ARG H H 1 8.341 . . 1 . . . . . . . . 5368 1 648 . 1 1 148 148 ARG C C 13 177.233 . . 1 . . . . . . . . 5368 1 649 . 1 1 148 148 ARG CA C 13 55.701 . . 1 . . . . . . . . 5368 1 650 . 1 1 148 148 ARG CB C 13 31.505 . . 1 . . . . . . . . 5368 1 651 . 1 1 148 148 ARG N N 15 122.013 . . 1 . . . . . . . . 5368 1 652 . 1 1 150 150 ARG H H 1 7.81 . . 1 . . . . . . . . 5368 1 653 . 1 1 150 150 ARG C C 13 174.099 . . 1 . . . . . . . . 5368 1 654 . 1 1 150 150 ARG CA C 13 53.37 . . 1 . . . . . . . . 5368 1 655 . 1 1 150 150 ARG CB C 13 32.29 . . 1 . . . . . . . . 5368 1 656 . 1 1 150 150 ARG N N 15 118.4 . . 1 . . . . . . . . 5368 1 657 . 1 1 151 151 ASN H H 1 9.277 . . 1 . . . . . . . . 5368 1 658 . 1 1 151 151 ASN C C 13 174.045 . . 1 . . . . . . . . 5368 1 659 . 1 1 151 151 ASN CA C 13 52.763 . . 1 . . . . . . . . 5368 1 660 . 1 1 151 151 ASN CB C 13 38.401 . . 1 . . . . . . . . 5368 1 661 . 1 1 151 151 ASN N N 15 127.237 . . 1 . . . . . . . . 5368 1 662 . 1 1 152 152 TRP H H 1 7.951 . . 1 . . . . . . . . 5368 1 663 . 1 1 152 152 TRP C C 13 173.59 . . 1 . . . . . . . . 5368 1 664 . 1 1 152 152 TRP CA C 13 54.11 . . 1 . . . . . . . . 5368 1 665 . 1 1 152 152 TRP CB C 13 34.8 . . 1 . . . . . . . . 5368 1 666 . 1 1 152 152 TRP N N 15 121.543 . . 1 . . . . . . . . 5368 1 667 . 1 1 153 153 TYR H H 1 8.093 . . 1 . . . . . . . . 5368 1 668 . 1 1 153 153 TYR C C 13 173.789 . . 1 . . . . . . . . 5368 1 669 . 1 1 153 153 TYR CA C 13 56.953 . . 1 . . . . . . . . 5368 1 670 . 1 1 153 153 TYR CB C 13 39.94 . . 1 . . . . . . . . 5368 1 671 . 1 1 153 153 TYR N N 15 121.835 . . 1 . . . . . . . . 5368 1 672 . 1 1 154 154 ILE H H 1 7.078 . . 1 . . . . . . . . 5368 1 673 . 1 1 154 154 ILE C C 13 172.661 . . 1 . . . . . . . . 5368 1 674 . 1 1 154 154 ILE CA C 13 57.655 . . 1 . . . . . . . . 5368 1 675 . 1 1 154 154 ILE CB C 13 41.35 . . 1 . . . . . . . . 5368 1 676 . 1 1 154 154 ILE N N 15 123.261 . . 1 . . . . . . . . 5368 1 677 . 1 1 155 155 GLN H H 1 8.843 . . 1 . . . . . . . . 5368 1 678 . 1 1 155 155 GLN C C 13 170.263 . . 1 . . . . . . . . 5368 1 679 . 1 1 155 155 GLN CA C 13 52.595 . . 1 . . . . . . . . 5368 1 680 . 1 1 155 155 GLN CB C 13 33.4 . . 1 . . . . . . . . 5368 1 681 . 1 1 155 155 GLN N N 15 126.003 . . 1 . . . . . . . . 5368 1 682 . 1 1 156 156 ALA H H 1 9.045 . . 1 . . . . . . . . 5368 1 683 . 1 1 156 156 ALA C C 13 174.934 . . 1 . . . . . . . . 5368 1 684 . 1 1 156 156 ALA CA C 13 52.486 . . 1 . . . . . . . . 5368 1 685 . 1 1 156 156 ALA CB C 13 19.3 . . 1 . . . . . . . . 5368 1 686 . 1 1 156 156 ALA N N 15 133.328 . . 1 . . . . . . . . 5368 1 687 . 1 1 157 157 THR H H 1 8.742 . . 1 . . . . . . . . 5368 1 688 . 1 1 157 157 THR C C 13 177.846 . . 1 . . . . . . . . 5368 1 689 . 1 1 157 157 THR CA C 13 60.874 . . 1 . . . . . . . . 5368 1 690 . 1 1 157 157 THR CB C 13 73.21 . . 1 . . . . . . . . 5368 1 691 . 1 1 157 157 THR N N 15 116.332 . . 1 . . . . . . . . 5368 1 692 . 1 1 158 158 CYS H H 1 8.429 . . 1 . . . . . . . . 5368 1 693 . 1 1 158 158 CYS C C 13 173.741 . . 1 . . . . . . . . 5368 1 694 . 1 1 158 158 CYS CA C 13 57.707 . . 1 . . . . . . . . 5368 1 695 . 1 1 158 158 CYS CB C 13 28.7 . . 1 . . . . . . . . 5368 1 696 . 1 1 158 158 CYS N N 15 120.949 . . 1 . . . . . . . . 5368 1 697 . 1 1 159 159 ALA H H 1 9.556 . . 1 . . . . . . . . 5368 1 698 . 1 1 159 159 ALA C C 13 174.606 . . 1 . . . . . . . . 5368 1 699 . 1 1 159 159 ALA CA C 13 55.672 . . 1 . . . . . . . . 5368 1 700 . 1 1 159 159 ALA CB C 13 19.8 . . 1 . . . . . . . . 5368 1 701 . 1 1 159 159 ALA N N 15 132.364 . . 1 . . . . . . . . 5368 1 702 . 1 1 160 160 THR H H 1 7.13 . . 1 . . . . . . . . 5368 1 703 . 1 1 160 160 THR C C 13 177.244 . . 1 . . . . . . . . 5368 1 704 . 1 1 160 160 THR CA C 13 63.968 . . 1 . . . . . . . . 5368 1 705 . 1 1 160 160 THR CB C 13 67.12 . . 1 . . . . . . . . 5368 1 706 . 1 1 160 160 THR N N 15 104.038 . . 1 . . . . . . . . 5368 1 707 . 1 1 161 161 SER H H 1 7.623 . . 1 . . . . . . . . 5368 1 708 . 1 1 161 161 SER CA C 13 58.321 . . 1 . . . . . . . . 5368 1 709 . 1 1 161 161 SER CB C 13 64.31 . . 1 . . . . . . . . 5368 1 710 . 1 1 161 161 SER N N 15 115.435 . . 1 . . . . . . . . 5368 1 711 . 1 1 162 162 GLY H H 1 8.416 . . 1 . . . . . . . . 5368 1 712 . 1 1 162 162 GLY C C 13 176.16 . . 1 . . . . . . . . 5368 1 713 . 1 1 162 162 GLY CA C 13 45.174 . . 1 . . . . . . . . 5368 1 714 . 1 1 162 162 GLY N N 15 112.863 . . 1 . . . . . . . . 5368 1 715 . 1 1 163 163 ASP H H 1 7.97 . . 1 . . . . . . . . 5368 1 716 . 1 1 163 163 ASP C C 13 173.672 . . 1 . . . . . . . . 5368 1 717 . 1 1 163 163 ASP CA C 13 56.8 . . 1 . . . . . . . . 5368 1 718 . 1 1 163 163 ASP CB C 13 41.6 . . 1 . . . . . . . . 5368 1 719 . 1 1 163 163 ASP N N 15 124.7 . . 1 . . . . . . . . 5368 1 720 . 1 1 164 164 GLY H H 1 8.93 . . 1 . . . . . . . . 5368 1 721 . 1 1 164 164 GLY C C 13 176.437 . . 1 . . . . . . . . 5368 1 722 . 1 1 164 164 GLY CA C 13 46.6 . . 1 . . . . . . . . 5368 1 723 . 1 1 164 164 GLY N N 15 113.7 . . 1 . . . . . . . . 5368 1 724 . 1 1 165 165 LEU H H 1 7.491 . . 1 . . . . . . . . 5368 1 725 . 1 1 165 165 LEU C C 13 174.357 . . 1 . . . . . . . . 5368 1 726 . 1 1 165 165 LEU CA C 13 58.134 . . 1 . . . . . . . . 5368 1 727 . 1 1 165 165 LEU CB C 13 41.82 . . 1 . . . . . . . . 5368 1 728 . 1 1 165 165 LEU N N 15 118.667 . . 1 . . . . . . . . 5368 1 729 . 1 1 166 166 TYR H H 1 9.158 . . 1 . . . . . . . . 5368 1 730 . 1 1 166 166 TYR C C 13 178.893 . . 1 . . . . . . . . 5368 1 731 . 1 1 166 166 TYR CA C 13 62.887 . . 1 . . . . . . . . 5368 1 732 . 1 1 166 166 TYR CB C 13 38.07 . . 1 . . . . . . . . 5368 1 733 . 1 1 166 166 TYR N N 15 118.944 . . 1 . . . . . . . . 5368 1 734 . 1 1 167 167 GLU H H 1 9.74 . . 1 . . . . . . . . 5368 1 735 . 1 1 167 167 GLU C C 13 176.286 . . 1 . . . . . . . . 5368 1 736 . 1 1 167 167 GLU CA C 13 61.393 . . 1 . . . . . . . . 5368 1 737 . 1 1 167 167 GLU CB C 13 28.7 . . 1 . . . . . . . . 5368 1 738 . 1 1 167 167 GLU N N 15 119.618 . . 1 . . . . . . . . 5368 1 739 . 1 1 168 168 GLY H H 1 8.305 . . 1 . . . . . . . . 5368 1 740 . 1 1 168 168 GLY C C 13 180.94 . . 1 . . . . . . . . 5368 1 741 . 1 1 168 168 GLY CA C 13 48.018 . . 1 . . . . . . . . 5368 1 742 . 1 1 168 168 GLY N N 15 105.552 . . 1 . . . . . . . . 5368 1 743 . 1 1 169 169 LEU H H 1 8.42 . . 1 . . . . . . . . 5368 1 744 . 1 1 169 169 LEU C C 13 174.293 . . 1 . . . . . . . . 5368 1 745 . 1 1 169 169 LEU CA C 13 57.707 . . 1 . . . . . . . . 5368 1 746 . 1 1 169 169 LEU CB C 13 41.35 . . 1 . . . . . . . . 5368 1 747 . 1 1 169 169 LEU N N 15 121.078 . . 1 . . . . . . . . 5368 1 748 . 1 1 170 170 ASP H H 1 9.247 . . 1 . . . . . . . . 5368 1 749 . 1 1 170 170 ASP C C 13 178.604 . . 1 . . . . . . . . 5368 1 750 . 1 1 170 170 ASP CA C 13 57.429 . . 1 . . . . . . . . 5368 1 751 . 1 1 170 170 ASP CB C 13 41.35 . . 1 . . . . . . . . 5368 1 752 . 1 1 170 170 ASP N N 15 123.764 . . 1 . . . . . . . . 5368 1 753 . 1 1 171 171 TRP H H 1 7.3 . . 1 . . . . . . . . 5368 1 754 . 1 1 171 171 TRP C C 13 177.925 . . 1 . . . . . . . . 5368 1 755 . 1 1 171 171 TRP CA C 13 63.048 . . 1 . . . . . . . . 5368 1 756 . 1 1 171 171 TRP CB C 13 27.3 . . 1 . . . . . . . . 5368 1 757 . 1 1 171 171 TRP N N 15 119.788 . . 1 . . . . . . . . 5368 1 758 . 1 1 172 172 LEU H H 1 8.185 . . 1 . . . . . . . . 5368 1 759 . 1 1 172 172 LEU C C 13 178.917 . . 1 . . . . . . . . 5368 1 760 . 1 1 172 172 LEU CA C 13 58.64 . . 1 . . . . . . . . 5368 1 761 . 1 1 172 172 LEU CB C 13 42.76 . . 1 . . . . . . . . 5368 1 762 . 1 1 172 172 LEU N N 15 118.916 . . 1 . . . . . . . . 5368 1 763 . 1 1 173 173 SER H H 1 8.829 . . 1 . . . . . . . . 5368 1 764 . 1 1 173 173 SER C C 13 177.872 . . 1 . . . . . . . . 5368 1 765 . 1 1 173 173 SER CA C 13 62.043 . . 1 . . . . . . . . 5368 1 766 . 1 1 173 173 SER CB C 13 62.043 . . 1 . . . . . . . . 5368 1 767 . 1 1 173 173 SER N N 15 113.894 . . 1 . . . . . . . . 5368 1 768 . 1 1 174 174 ASN H H 1 7.72 . . 1 . . . . . . . . 5368 1 769 . 1 1 174 174 ASN C C 13 176.232 . . 1 . . . . . . . . 5368 1 770 . 1 1 174 174 ASN CA C 13 56.7 . . 1 . . . . . . . . 5368 1 771 . 1 1 174 174 ASN CB C 13 38.7 . . 1 . . . . . . . . 5368 1 772 . 1 1 174 174 ASN N N 15 118.8 . . 1 . . . . . . . . 5368 1 773 . 1 1 175 175 GLN H H 1 7.536 . . 1 . . . . . . . . 5368 1 774 . 1 1 175 175 GLN C C 13 177.526 . . 1 . . . . . . . . 5368 1 775 . 1 1 175 175 GLN CA C 13 57.078 . . 1 . . . . . . . . 5368 1 776 . 1 1 175 175 GLN CB C 13 28.23 . . 1 . . . . . . . . 5368 1 777 . 1 1 175 175 GLN N N 15 117.066 . . 1 . . . . . . . . 5368 1 778 . 1 1 176 176 LEU H H 1 7.874 . . 1 . . . . . . . . 5368 1 779 . 1 1 176 176 LEU C C 13 179.127 . . 1 . . . . . . . . 5368 1 780 . 1 1 176 176 LEU CA C 13 56.776 . . 1 . . . . . . . . 5368 1 781 . 1 1 176 176 LEU CB C 13 41.35 . . 1 . . . . . . . . 5368 1 782 . 1 1 176 176 LEU N N 15 117.972 . . 1 . . . . . . . . 5368 1 783 . 1 1 177 177 ARG H H 1 7.741 . . 1 . . . . . . . . 5368 1 784 . 1 1 177 177 ARG C C 13 178.518 . . 1 . . . . . . . . 5368 1 785 . 1 1 177 177 ARG CA C 13 58.342 . . 1 . . . . . . . . 5368 1 786 . 1 1 177 177 ARG CB C 13 30.57 . . 1 . . . . . . . . 5368 1 787 . 1 1 177 177 ARG N N 15 118.335 . . 1 . . . . . . . . 5368 1 788 . 1 1 178 178 ASN H H 1 7.466 . . 1 . . . . . . . . 5368 1 789 . 1 1 178 178 ASN C C 13 176.601 . . 1 . . . . . . . . 5368 1 790 . 1 1 178 178 ASN CA C 13 53.429 . . 1 . . . . . . . . 5368 1 791 . 1 1 178 178 ASN CB C 13 38.54 . . 1 . . . . . . . . 5368 1 792 . 1 1 178 178 ASN N N 15 116.099 . . 1 . . . . . . . . 5368 1 793 . 1 1 179 179 GLN H H 1 7.561 . . 1 . . . . . . . . 5368 1 794 . 1 1 179 179 GLN C C 13 174.909 . . 1 . . . . . . . . 5368 1 795 . 1 1 179 179 GLN CA C 13 56.059 . . 1 . . . . . . . . 5368 1 796 . 1 1 179 179 GLN CB C 13 29.64 . . 1 . . . . . . . . 5368 1 797 . 1 1 179 179 GLN N N 15 120.034 . . 1 . . . . . . . . 5368 1 798 . 1 1 180 180 LYS H H 1 7.945 . . 1 . . . . . . . . 5368 1 799 . 1 1 180 180 LYS C C 13 175.026 . . 1 . . . . . . . . 5368 1 800 . 1 1 180 180 LYS CA C 13 57.912 . . 1 . . . . . . . . 5368 1 801 . 1 1 180 180 LYS CB C 13 33.67 . . 1 . . . . . . . . 5368 1 802 . 1 1 180 180 LYS N N 15 127.97 . . 1 . . . . . . . . 5368 1 stop_ save_