data_16516 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16516 _Entry.Title ; Backbone and 13Cb chemical shifts for human AP endonuclease 1 (APE1) residues 39-318 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brittney Manvilla . A. . 16516 2 Alex Drohat . C. . 16516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 766 16516 '15N chemical shifts' 237 16516 '1H chemical shifts' 237 16516 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-09-23 update BMRB 'complete entry citation' 16516 1 . . 2009-11-20 2009-09-23 original author 'original release' 16516 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16516 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888678 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments for human apurinic/apyrimidinic endonuclease 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5 _Citation.Page_last 8 _Citation.Year 2010 _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 Brittney Manvilla . A. . 16516 1 2 Kristen Varney . M. . 16516 1 3 Alexander Drohat . C. . 16516 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID APE1 16516 1 'apurinic/apyrimidinic endonuclease' 16516 1 'DNA base excision repair' 16516 1 Ref-1 16516 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16516 _Assembly.ID 1 _Assembly.Name 'APE1 (39-318)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 32100 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 APE1 1 $APE1 A . yes native no no . . . 16516 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1bix . . X-ray 2.20 . . 16516 1 yes PDB 1e9n . . X-ray 2.20 . . 16516 1 yes PDB 1hd7 . . X-ray 1.95 . . 16516 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 3'-phosphodiesterase 16516 1 'apyrinic/apyrimidinic endonuclease' 16516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APE1 _Entity.Sf_category entity _Entity.Sf_framecode APE1 _Entity.Entry_ID 16516 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APE1 _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 ; GSHMASGEGPALYEDPPDQK TSPSGKPATLKICSWNVDGL RAWIKKKGLDWVKEEAPDIL CLQETKCSENKLPAELQELP GLSHQYWSAPSDKEGYSGVG LLSRQCPLKVSYGIGDEEHD QEGRVIVAEFDSFVLVTAYV PNAGRGLVRLEYRQRWDEAF RKFLKGLASRKPLVLCGDLN VAHEEIDLRNPKGNKKNAGF TPQERQGFGELLQAVPLADS FRHLYPNTPYAYTFWTYMMN ARSKNVGWRLDYFLLSHSLL PALCDSKIRSKALGSDHCPI TLYLAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The protein is comprised of six non-native N-terminal residues (GSHMAS)resulting from thrombin cleavage of a poly-His tag, followed by residues 39-318 of human APE1. Full length APE1 contains 318 residues.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 286 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment APE1(39-318) _Entity.Mutation none _Entity.EC_number 4.2.99.18 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS P27695 . APEX1_HUMAN . . . . . . . . . . . . . . 16516 1 2 no PDB 1BIX . "The Crystal Structure Of The Human Dna Repair Endonuclease Hap1 Suggests The Recognition Of Extra-Helical Deoxyribose At Dna Ab" . . . . . 98.60 287 99.65 100.00 0.00e+00 . . . . 16516 1 3 no PDB 1DE8 . "Human ApurinicAPYRIMIDINIC ENDONUCLEASE-1 (Ape1) Bound To Abasic Dna" . . . . . 96.50 276 99.64 99.64 0.00e+00 . . . . 16516 1 4 no PDB 1DE9 . "Human Ape1 Endonuclease With Bound Abasic Dna And Mn2+ Ion" . . . . . 96.50 276 99.64 99.64 0.00e+00 . . . . 16516 1 5 no PDB 1DEW . "Crystal Structure Of Human Ape1 Bound To Abasic Dna" . . . . . 97.55 279 99.64 99.64 0.00e+00 . . . . 16516 1 6 no PDB 1E9N . "A Second Divalent Metal Ion In The Active Site Of A New Crystal Form Of Human ApurinicAPYRIMIDINIC ENDONUCLEASE, Ape1, And Its " . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 7 no PDB 1HD7 . "A Second Divalent Metal Ion In The Active Site Of A New Crystal Form Of Human ApurinicAPYRIDINIMIC ENDONUCLEASE, Ape1, And Its " . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 8 no PDB 2ISI . "Crystal Structure Of Ape1 From Homo Sapiens In A New Crystal Form Complexed With A Ligand" . . . . . 98.60 317 99.65 100.00 0.00e+00 . . . . 16516 1 9 no PDB 2O3H . "Crystal Structure Of The Human C65a Ape" . . . . . 100.00 285 99.30 99.30 0.00e+00 . . . . 16516 1 10 no PDB 3U8U . "Crystal Structure Of Human ApurinicAPYRIDINIMIC ENDONUCLEASE, APE1 IN A New Crystal Form" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 11 no PDB 4IEM . "Human Apurinic/apyrimidinic Endonuclease (ape1) With Product Dna And Mg2+" . . . . . 98.60 317 99.65 100.00 0.00e+00 . . . . 16516 1 12 no PDB 4LND . "Crystal Structure Of Human Apurinic/apyrimidinic Endonuclease 1 With Essential Mg2+ Cofactor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16516 1 13 no PDB 4QH9 . "Crystal Structure Of Mn2+ Bound Human Ape1" . . . . . 100.00 285 99.30 99.30 0.00e+00 . . . . 16516 1 14 no PDB 4QHD . "Crystal Structure Of Apo Human Ape1" . . . . . 100.00 285 99.30 99.30 0.00e+00 . . . . 16516 1 15 no PDB 4QHE . "Crystal Structure Of Mg2+ Bound Human Ape1" . . . . . 100.00 285 99.30 99.30 0.00e+00 . . . . 16516 1 16 no PDB 5DFF . "Human Ape1 Product Complex" . . . . . 96.50 276 100.00 100.00 0.00e+00 . . . . 16516 1 17 no PDB 5DFH . "Human Ape1 Mismatch Product Complex" . . . . . 96.50 276 100.00 100.00 0.00e+00 . . . . 16516 1 18 no PDB 5DFI . "Human Ape1 Phosphorothioate Substrate Complex" . . . . . 96.50 276 100.00 100.00 0.00e+00 . . . . 16516 1 19 no PDB 5DFJ . "Human Ape1 E96q/d210n Mismatch Substrate Complex" . . . . . 96.50 276 99.28 100.00 0.00e+00 . . . . 16516 1 20 no PDB 5DG0 . "Human Ape1 Phosphorothioate Substrate Complex With Mn2+" . . . . . 96.50 276 100.00 100.00 0.00e+00 . . . . 16516 1 21 no DBJ BAA02633 . "APEX nuclease [Homo sapiens]" . . . . . 98.60 318 99.29 100.00 0.00e+00 . . . . 16516 1 22 no DBJ BAA07270 . "APEX nuclease [Mus musculus]" . . . . . 98.60 317 97.16 98.58 0.00e+00 . . . . 16516 1 23 no DBJ BAA14381 . "apurinic/apyrimidinic endonuclease [Homo sapiens]" . . . . . 98.60 318 99.29 99.65 0.00e+00 . . . . 16516 1 24 no DBJ BAA14382 . "APEX nuclease precursor [Mus musculus]" . . . . . 98.60 317 97.16 98.58 0.00e+00 . . . . 16516 1 25 no DBJ BAB28774 . "unnamed protein product [Mus musculus]" . . . . . 98.60 317 97.16 98.58 0.00e+00 . . . . 16516 1 26 no EMBL CAA42437 . "HAP1 [Homo sapiens]" . . . . . 98.60 318 99.29 99.65 0.00e+00 . . . . 16516 1 27 no EMBL CAA46925 . "AP endonuclease 1 [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 28 no EMBL CAD61917 . "unnamed protein product [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 29 no GB AAA58371 . "apurinic endonuclease [Homo sapiens]" . . . . . 98.60 318 98.94 99.29 0.00e+00 . . . . 16516 1 30 no GB AAA58372 . "apurinic/apyrimidinic endonuclease [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 31 no GB AAA58629 . "apurinic/apyrimidinic endonuclease [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 32 no GB AAB22977 . "Ref-1 [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 33 no GB AAB26054 . "APEX nuclease=major apurinic/apyrimidinic endonuclease [human, Peptide, 317 aa]" . . . . . 98.60 317 99.29 99.65 0.00e+00 . . . . 16516 1 34 no PRF 2019234A . "APEX nuclease" . . . . . 98.60 318 99.29 100.00 0.00e+00 . . . . 16516 1 35 no REF NP_001074954 . "DNA-(apurinic or apyrimidinic site) lyase [Pan troglodytes]" . . . . . 98.60 318 99.29 100.00 0.00e+00 . . . . 16516 1 36 no REF NP_001138591 . "DNA-(apurinic or apyrimidinic site) lyase [Canis lupus familiaris]" . . . . . 98.60 318 97.52 98.94 0.00e+00 . . . . 16516 1 37 no REF NP_001231178 . "DNA-(apurinic or apyrimidinic site) lyase [Homo sapiens]" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 38 no REF NP_001245038 . "DNA-(apurinic or apyrimidinic site) lyase [Macaca mulatta]" . . . . . 98.60 318 98.58 99.29 0.00e+00 . . . . 16516 1 39 no REF NP_001277543 . "APEX nuclease (multifunctional DNA repair enzyme) 1 [Panthera tigris altaica]" . . . . . 98.60 318 97.87 98.94 0.00e+00 . . . . 16516 1 40 no SP A1YES6 . "RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrim" . . . . . 98.60 318 97.87 99.29 0.00e+00 . . . . 16516 1 41 no SP A1YFZ3 . "RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrim" . . . . . 98.60 318 99.29 100.00 0.00e+00 . . . . 16516 1 42 no SP A2T6Y4 . "RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrim" . . . . . 98.60 318 99.29 100.00 0.00e+00 . . . . 16516 1 43 no SP A2T7I6 . "RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrim" . . . . . 98.60 318 98.58 99.65 0.00e+00 . . . . 16516 1 44 no SP P27695 . "RecName: Full=DNA-(apurinic or apyrimidinic site) lyase; AltName: Full=APEX nuclease; Short=APEN; AltName: Full=Apurinic-apyrim" . . . . . 98.60 318 99.65 100.00 0.00e+00 . . . . 16516 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA repair; transcriptional regulation' 16516 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 -6 GLY . 16516 1 2 -5 SER . 16516 1 3 -4 HIS . 16516 1 4 -3 MET . 16516 1 5 -2 ALA . 16516 1 6 -1 SER . 16516 1 7 39 GLY . 16516 1 8 40 GLU . 16516 1 9 41 GLY . 16516 1 10 42 PRO . 16516 1 11 43 ALA . 16516 1 12 44 LEU . 16516 1 13 45 TYR . 16516 1 14 46 GLU . 16516 1 15 47 ASP . 16516 1 16 48 PRO . 16516 1 17 49 PRO . 16516 1 18 50 ASP . 16516 1 19 51 GLN . 16516 1 20 52 LYS . 16516 1 21 53 THR . 16516 1 22 54 SER . 16516 1 23 55 PRO . 16516 1 24 56 SER . 16516 1 25 57 GLY . 16516 1 26 58 LYS . 16516 1 27 59 PRO . 16516 1 28 60 ALA . 16516 1 29 61 THR . 16516 1 30 62 LEU . 16516 1 31 63 LYS . 16516 1 32 64 ILE . 16516 1 33 65 CYS . 16516 1 34 66 SER . 16516 1 35 67 TRP . 16516 1 36 68 ASN . 16516 1 37 69 VAL . 16516 1 38 70 ASP . 16516 1 39 71 GLY . 16516 1 40 72 LEU . 16516 1 41 73 ARG . 16516 1 42 74 ALA . 16516 1 43 75 TRP . 16516 1 44 76 ILE . 16516 1 45 77 LYS . 16516 1 46 78 LYS . 16516 1 47 79 LYS . 16516 1 48 80 GLY . 16516 1 49 81 LEU . 16516 1 50 82 ASP . 16516 1 51 83 TRP . 16516 1 52 84 VAL . 16516 1 53 85 LYS . 16516 1 54 86 GLU . 16516 1 55 87 GLU . 16516 1 56 88 ALA . 16516 1 57 89 PRO . 16516 1 58 90 ASP . 16516 1 59 91 ILE . 16516 1 60 92 LEU . 16516 1 61 93 CYS . 16516 1 62 94 LEU . 16516 1 63 95 GLN . 16516 1 64 96 GLU . 16516 1 65 97 THR . 16516 1 66 98 LYS . 16516 1 67 99 CYS . 16516 1 68 100 SER . 16516 1 69 101 GLU . 16516 1 70 102 ASN . 16516 1 71 103 LYS . 16516 1 72 104 LEU . 16516 1 73 105 PRO . 16516 1 74 106 ALA . 16516 1 75 107 GLU . 16516 1 76 108 LEU . 16516 1 77 109 GLN . 16516 1 78 110 GLU . 16516 1 79 111 LEU . 16516 1 80 112 PRO . 16516 1 81 113 GLY . 16516 1 82 114 LEU . 16516 1 83 115 SER . 16516 1 84 116 HIS . 16516 1 85 117 GLN . 16516 1 86 118 TYR . 16516 1 87 119 TRP . 16516 1 88 120 SER . 16516 1 89 121 ALA . 16516 1 90 122 PRO . 16516 1 91 123 SER . 16516 1 92 124 ASP . 16516 1 93 125 LYS . 16516 1 94 126 GLU . 16516 1 95 127 GLY . 16516 1 96 128 TYR . 16516 1 97 129 SER . 16516 1 98 130 GLY . 16516 1 99 131 VAL . 16516 1 100 132 GLY . 16516 1 101 133 LEU . 16516 1 102 134 LEU . 16516 1 103 135 SER . 16516 1 104 136 ARG . 16516 1 105 137 GLN . 16516 1 106 138 CYS . 16516 1 107 139 PRO . 16516 1 108 140 LEU . 16516 1 109 141 LYS . 16516 1 110 142 VAL . 16516 1 111 143 SER . 16516 1 112 144 TYR . 16516 1 113 145 GLY . 16516 1 114 146 ILE . 16516 1 115 147 GLY . 16516 1 116 148 ASP . 16516 1 117 149 GLU . 16516 1 118 150 GLU . 16516 1 119 151 HIS . 16516 1 120 152 ASP . 16516 1 121 153 GLN . 16516 1 122 154 GLU . 16516 1 123 155 GLY . 16516 1 124 156 ARG . 16516 1 125 157 VAL . 16516 1 126 158 ILE . 16516 1 127 159 VAL . 16516 1 128 160 ALA . 16516 1 129 161 GLU . 16516 1 130 162 PHE . 16516 1 131 163 ASP . 16516 1 132 164 SER . 16516 1 133 165 PHE . 16516 1 134 166 VAL . 16516 1 135 167 LEU . 16516 1 136 168 VAL . 16516 1 137 169 THR . 16516 1 138 170 ALA . 16516 1 139 171 TYR . 16516 1 140 172 VAL . 16516 1 141 173 PRO . 16516 1 142 174 ASN . 16516 1 143 175 ALA . 16516 1 144 176 GLY . 16516 1 145 177 ARG . 16516 1 146 178 GLY . 16516 1 147 179 LEU . 16516 1 148 180 VAL . 16516 1 149 181 ARG . 16516 1 150 182 LEU . 16516 1 151 183 GLU . 16516 1 152 184 TYR . 16516 1 153 185 ARG . 16516 1 154 186 GLN . 16516 1 155 187 ARG . 16516 1 156 188 TRP . 16516 1 157 189 ASP . 16516 1 158 190 GLU . 16516 1 159 191 ALA . 16516 1 160 192 PHE . 16516 1 161 193 ARG . 16516 1 162 194 LYS . 16516 1 163 195 PHE . 16516 1 164 196 LEU . 16516 1 165 197 LYS . 16516 1 166 198 GLY . 16516 1 167 199 LEU . 16516 1 168 200 ALA . 16516 1 169 201 SER . 16516 1 170 202 ARG . 16516 1 171 203 LYS . 16516 1 172 204 PRO . 16516 1 173 205 LEU . 16516 1 174 206 VAL . 16516 1 175 207 LEU . 16516 1 176 208 CYS . 16516 1 177 209 GLY . 16516 1 178 210 ASP . 16516 1 179 211 LEU . 16516 1 180 212 ASN . 16516 1 181 213 VAL . 16516 1 182 214 ALA . 16516 1 183 215 HIS . 16516 1 184 216 GLU . 16516 1 185 217 GLU . 16516 1 186 218 ILE . 16516 1 187 219 ASP . 16516 1 188 220 LEU . 16516 1 189 221 ARG . 16516 1 190 222 ASN . 16516 1 191 223 PRO . 16516 1 192 224 LYS . 16516 1 193 225 GLY . 16516 1 194 226 ASN . 16516 1 195 227 LYS . 16516 1 196 228 LYS . 16516 1 197 229 ASN . 16516 1 198 230 ALA . 16516 1 199 231 GLY . 16516 1 200 232 PHE . 16516 1 201 233 THR . 16516 1 202 234 PRO . 16516 1 203 235 GLN . 16516 1 204 236 GLU . 16516 1 205 237 ARG . 16516 1 206 238 GLN . 16516 1 207 239 GLY . 16516 1 208 240 PHE . 16516 1 209 241 GLY . 16516 1 210 242 GLU . 16516 1 211 243 LEU . 16516 1 212 244 LEU . 16516 1 213 245 GLN . 16516 1 214 246 ALA . 16516 1 215 247 VAL . 16516 1 216 248 PRO . 16516 1 217 249 LEU . 16516 1 218 250 ALA . 16516 1 219 251 ASP . 16516 1 220 252 SER . 16516 1 221 253 PHE . 16516 1 222 254 ARG . 16516 1 223 255 HIS . 16516 1 224 256 LEU . 16516 1 225 257 TYR . 16516 1 226 258 PRO . 16516 1 227 259 ASN . 16516 1 228 260 THR . 16516 1 229 261 PRO . 16516 1 230 262 TYR . 16516 1 231 263 ALA . 16516 1 232 264 TYR . 16516 1 233 265 THR . 16516 1 234 266 PHE . 16516 1 235 267 TRP . 16516 1 236 268 THR . 16516 1 237 269 TYR . 16516 1 238 270 MET . 16516 1 239 271 MET . 16516 1 240 272 ASN . 16516 1 241 273 ALA . 16516 1 242 274 ARG . 16516 1 243 275 SER . 16516 1 244 276 LYS . 16516 1 245 277 ASN . 16516 1 246 278 VAL . 16516 1 247 279 GLY . 16516 1 248 280 TRP . 16516 1 249 281 ARG . 16516 1 250 282 LEU . 16516 1 251 283 ASP . 16516 1 252 284 TYR . 16516 1 253 285 PHE . 16516 1 254 286 LEU . 16516 1 255 287 LEU . 16516 1 256 288 SER . 16516 1 257 289 HIS . 16516 1 258 290 SER . 16516 1 259 291 LEU . 16516 1 260 292 LEU . 16516 1 261 293 PRO . 16516 1 262 294 ALA . 16516 1 263 295 LEU . 16516 1 264 296 CYS . 16516 1 265 297 ASP . 16516 1 266 298 SER . 16516 1 267 299 LYS . 16516 1 268 300 ILE . 16516 1 269 301 ARG . 16516 1 270 302 SER . 16516 1 271 303 LYS . 16516 1 272 304 ALA . 16516 1 273 305 LEU . 16516 1 274 306 GLY . 16516 1 275 307 SER . 16516 1 276 308 ASP . 16516 1 277 309 HIS . 16516 1 278 310 CYS . 16516 1 279 311 PRO . 16516 1 280 312 ILE . 16516 1 281 313 THR . 16516 1 282 314 LEU . 16516 1 283 315 TYR . 16516 1 284 316 LEU . 16516 1 285 317 ALA . 16516 1 286 318 LEU . 16516 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 16516 1 . SER 2 2 16516 1 . HIS 3 3 16516 1 . MET 4 4 16516 1 . ALA 5 5 16516 1 . SER 6 6 16516 1 . GLY 7 7 16516 1 . GLU 8 8 16516 1 . GLY 9 9 16516 1 . PRO 10 10 16516 1 . ALA 11 11 16516 1 . LEU 12 12 16516 1 . TYR 13 13 16516 1 . GLU 14 14 16516 1 . ASP 15 15 16516 1 . PRO 16 16 16516 1 . PRO 17 17 16516 1 . ASP 18 18 16516 1 . GLN 19 19 16516 1 . LYS 20 20 16516 1 . THR 21 21 16516 1 . SER 22 22 16516 1 . PRO 23 23 16516 1 . SER 24 24 16516 1 . GLY 25 25 16516 1 . LYS 26 26 16516 1 . PRO 27 27 16516 1 . ALA 28 28 16516 1 . THR 29 29 16516 1 . LEU 30 30 16516 1 . LYS 31 31 16516 1 . ILE 32 32 16516 1 . CYS 33 33 16516 1 . SER 34 34 16516 1 . TRP 35 35 16516 1 . ASN 36 36 16516 1 . VAL 37 37 16516 1 . ASP 38 38 16516 1 . GLY 39 39 16516 1 . LEU 40 40 16516 1 . ARG 41 41 16516 1 . ALA 42 42 16516 1 . TRP 43 43 16516 1 . ILE 44 44 16516 1 . LYS 45 45 16516 1 . LYS 46 46 16516 1 . LYS 47 47 16516 1 . GLY 48 48 16516 1 . LEU 49 49 16516 1 . ASP 50 50 16516 1 . TRP 51 51 16516 1 . VAL 52 52 16516 1 . LYS 53 53 16516 1 . GLU 54 54 16516 1 . GLU 55 55 16516 1 . ALA 56 56 16516 1 . PRO 57 57 16516 1 . ASP 58 58 16516 1 . ILE 59 59 16516 1 . LEU 60 60 16516 1 . CYS 61 61 16516 1 . LEU 62 62 16516 1 . GLN 63 63 16516 1 . GLU 64 64 16516 1 . THR 65 65 16516 1 . LYS 66 66 16516 1 . CYS 67 67 16516 1 . SER 68 68 16516 1 . GLU 69 69 16516 1 . ASN 70 70 16516 1 . LYS 71 71 16516 1 . LEU 72 72 16516 1 . PRO 73 73 16516 1 . ALA 74 74 16516 1 . GLU 75 75 16516 1 . LEU 76 76 16516 1 . GLN 77 77 16516 1 . GLU 78 78 16516 1 . LEU 79 79 16516 1 . PRO 80 80 16516 1 . GLY 81 81 16516 1 . LEU 82 82 16516 1 . SER 83 83 16516 1 . HIS 84 84 16516 1 . GLN 85 85 16516 1 . TYR 86 86 16516 1 . TRP 87 87 16516 1 . SER 88 88 16516 1 . ALA 89 89 16516 1 . PRO 90 90 16516 1 . SER 91 91 16516 1 . ASP 92 92 16516 1 . LYS 93 93 16516 1 . GLU 94 94 16516 1 . GLY 95 95 16516 1 . TYR 96 96 16516 1 . SER 97 97 16516 1 . GLY 98 98 16516 1 . VAL 99 99 16516 1 . GLY 100 100 16516 1 . LEU 101 101 16516 1 . LEU 102 102 16516 1 . SER 103 103 16516 1 . ARG 104 104 16516 1 . GLN 105 105 16516 1 . CYS 106 106 16516 1 . PRO 107 107 16516 1 . LEU 108 108 16516 1 . LYS 109 109 16516 1 . VAL 110 110 16516 1 . SER 111 111 16516 1 . TYR 112 112 16516 1 . GLY 113 113 16516 1 . ILE 114 114 16516 1 . GLY 115 115 16516 1 . ASP 116 116 16516 1 . GLU 117 117 16516 1 . GLU 118 118 16516 1 . HIS 119 119 16516 1 . ASP 120 120 16516 1 . GLN 121 121 16516 1 . GLU 122 122 16516 1 . GLY 123 123 16516 1 . ARG 124 124 16516 1 . VAL 125 125 16516 1 . ILE 126 126 16516 1 . VAL 127 127 16516 1 . ALA 128 128 16516 1 . GLU 129 129 16516 1 . PHE 130 130 16516 1 . ASP 131 131 16516 1 . SER 132 132 16516 1 . PHE 133 133 16516 1 . VAL 134 134 16516 1 . LEU 135 135 16516 1 . VAL 136 136 16516 1 . THR 137 137 16516 1 . ALA 138 138 16516 1 . TYR 139 139 16516 1 . VAL 140 140 16516 1 . PRO 141 141 16516 1 . ASN 142 142 16516 1 . ALA 143 143 16516 1 . GLY 144 144 16516 1 . ARG 145 145 16516 1 . GLY 146 146 16516 1 . LEU 147 147 16516 1 . VAL 148 148 16516 1 . ARG 149 149 16516 1 . LEU 150 150 16516 1 . GLU 151 151 16516 1 . TYR 152 152 16516 1 . ARG 153 153 16516 1 . GLN 154 154 16516 1 . ARG 155 155 16516 1 . TRP 156 156 16516 1 . ASP 157 157 16516 1 . GLU 158 158 16516 1 . ALA 159 159 16516 1 . PHE 160 160 16516 1 . ARG 161 161 16516 1 . LYS 162 162 16516 1 . PHE 163 163 16516 1 . LEU 164 164 16516 1 . LYS 165 165 16516 1 . GLY 166 166 16516 1 . LEU 167 167 16516 1 . ALA 168 168 16516 1 . SER 169 169 16516 1 . ARG 170 170 16516 1 . LYS 171 171 16516 1 . PRO 172 172 16516 1 . LEU 173 173 16516 1 . VAL 174 174 16516 1 . LEU 175 175 16516 1 . CYS 176 176 16516 1 . GLY 177 177 16516 1 . ASP 178 178 16516 1 . LEU 179 179 16516 1 . ASN 180 180 16516 1 . VAL 181 181 16516 1 . ALA 182 182 16516 1 . HIS 183 183 16516 1 . GLU 184 184 16516 1 . GLU 185 185 16516 1 . ILE 186 186 16516 1 . ASP 187 187 16516 1 . LEU 188 188 16516 1 . ARG 189 189 16516 1 . ASN 190 190 16516 1 . PRO 191 191 16516 1 . LYS 192 192 16516 1 . GLY 193 193 16516 1 . ASN 194 194 16516 1 . LYS 195 195 16516 1 . LYS 196 196 16516 1 . ASN 197 197 16516 1 . ALA 198 198 16516 1 . GLY 199 199 16516 1 . PHE 200 200 16516 1 . THR 201 201 16516 1 . PRO 202 202 16516 1 . GLN 203 203 16516 1 . GLU 204 204 16516 1 . ARG 205 205 16516 1 . GLN 206 206 16516 1 . GLY 207 207 16516 1 . PHE 208 208 16516 1 . GLY 209 209 16516 1 . GLU 210 210 16516 1 . LEU 211 211 16516 1 . LEU 212 212 16516 1 . GLN 213 213 16516 1 . ALA 214 214 16516 1 . VAL 215 215 16516 1 . PRO 216 216 16516 1 . LEU 217 217 16516 1 . ALA 218 218 16516 1 . ASP 219 219 16516 1 . SER 220 220 16516 1 . PHE 221 221 16516 1 . ARG 222 222 16516 1 . HIS 223 223 16516 1 . LEU 224 224 16516 1 . TYR 225 225 16516 1 . PRO 226 226 16516 1 . ASN 227 227 16516 1 . THR 228 228 16516 1 . PRO 229 229 16516 1 . TYR 230 230 16516 1 . ALA 231 231 16516 1 . TYR 232 232 16516 1 . THR 233 233 16516 1 . PHE 234 234 16516 1 . TRP 235 235 16516 1 . THR 236 236 16516 1 . TYR 237 237 16516 1 . MET 238 238 16516 1 . MET 239 239 16516 1 . ASN 240 240 16516 1 . ALA 241 241 16516 1 . ARG 242 242 16516 1 . SER 243 243 16516 1 . LYS 244 244 16516 1 . ASN 245 245 16516 1 . VAL 246 246 16516 1 . GLY 247 247 16516 1 . TRP 248 248 16516 1 . ARG 249 249 16516 1 . LEU 250 250 16516 1 . ASP 251 251 16516 1 . TYR 252 252 16516 1 . PHE 253 253 16516 1 . LEU 254 254 16516 1 . LEU 255 255 16516 1 . SER 256 256 16516 1 . HIS 257 257 16516 1 . SER 258 258 16516 1 . LEU 259 259 16516 1 . LEU 260 260 16516 1 . PRO 261 261 16516 1 . ALA 262 262 16516 1 . LEU 263 263 16516 1 . CYS 264 264 16516 1 . ASP 265 265 16516 1 . SER 266 266 16516 1 . LYS 267 267 16516 1 . ILE 268 268 16516 1 . ARG 269 269 16516 1 . SER 270 270 16516 1 . LYS 271 271 16516 1 . ALA 272 272 16516 1 . LEU 273 273 16516 1 . GLY 274 274 16516 1 . SER 275 275 16516 1 . ASP 276 276 16516 1 . HIS 277 277 16516 1 . CYS 278 278 16516 1 . PRO 279 279 16516 1 . ILE 280 280 16516 1 . THR 281 281 16516 1 . LEU 282 282 16516 1 . TYR 283 283 16516 1 . LEU 284 284 16516 1 . ALA 285 285 16516 1 . LEU 286 286 16516 1 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 16516 _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 $APE1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16516 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 16516 _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 $APE1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 16516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_13C_15N-APE1_delta_N38 _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N-APE1_delta_N38 _Sample.Entry_ID 16516 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 APE1 '[U-13C; U-15N; U-2H]' . . 1 $APE1 . . 0.8 . . mM . . . . 16516 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 16516 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16516 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16516 1 5 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 16516 1 6 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 16516 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16516 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16516 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16516 _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 0.05 pH 16516 1 pressure 1.0 . atm 16516 1 temperature 298 0.1 K 16516 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16516 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16516 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16516 1 'data analysis' 16516 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16516 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16516 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16516 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16516 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16516 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16516 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 16516 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 2 '3D TROSY HNCO' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 3 '3D TROSY HNCACO' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 4 '3D TROSY HNCA' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 5 '3D TROSY HNCOCA' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 6 '3D TROSY HNCACB' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 7 '3D TROSY HNCOCACB' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $2H_13C_15N-APE1_delta_N38 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16516 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16516 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16516 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . 1 $entry_citation . . 1 $entry_citation 16516 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16516 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 16516 1 2 '3D TROSY HNCO' . . . 16516 1 3 '3D TROSY HNCACO' . . . 16516 1 4 '3D TROSY HNCA' . . . 16516 1 5 '3D TROSY HNCOCA' . . . 16516 1 6 '3D TROSY HNCACB' . . . 16516 1 7 '3D TROSY HNCOCACB' . . . 16516 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 MET C C 13 175.838 0.000 . 1 . . . . -3 MET C . 16516 1 2 . 1 1 4 4 MET CA C 13 54.930 0.055 . 1 . . . . -3 MET CA . 16516 1 3 . 1 1 4 4 MET CB C 13 32.047 0.039 . 1 . . . . -3 MET CB . 16516 1 4 . 1 1 5 5 ALA H H 1 8.381 0.002 . 1 . . . . -2 ALA H . 16516 1 5 . 1 1 5 5 ALA C C 13 177.810 0.012 . 1 . . . . -2 ALA C . 16516 1 6 . 1 1 5 5 ALA CA C 13 52.108 0.051 . 1 . . . . -2 ALA CA . 16516 1 7 . 1 1 5 5 ALA CB C 13 18.401 0.021 . 1 . . . . -2 ALA CB . 16516 1 8 . 1 1 5 5 ALA N N 15 126.329 0.040 . 1 . . . . -2 ALA N . 16516 1 9 . 1 1 6 6 SER H H 1 8.297 0.002 . 1 . . . . -1 SER H . 16516 1 10 . 1 1 6 6 SER C C 13 175.298 0.000 . 1 . . . . -1 SER C . 16516 1 11 . 1 1 6 6 SER CA C 13 58.043 0.086 . 1 . . . . -1 SER CA . 16516 1 12 . 1 1 6 6 SER CB C 13 63.129 0.095 . 1 . . . . -1 SER CB . 16516 1 13 . 1 1 6 6 SER N N 15 115.680 0.024 . 1 . . . . -1 SER N . 16516 1 14 . 1 1 7 7 GLY H H 1 8.364 0.004 . 1 . . . . 39 GLY H . 16516 1 15 . 1 1 7 7 GLY C C 13 174.122 0.018 . 1 . . . . 39 GLY C . 16516 1 16 . 1 1 7 7 GLY CA C 13 44.983 0.032 . 1 . . . . 39 GLY CA . 16516 1 17 . 1 1 7 7 GLY N N 15 111.317 0.006 . 1 . . . . 39 GLY N . 16516 1 18 . 1 1 8 8 GLU H H 1 8.221 0.002 . 1 . . . . 40 GLU H . 16516 1 19 . 1 1 8 8 GLU C C 13 176.753 0.014 . 1 . . . . 40 GLU C . 16516 1 20 . 1 1 8 8 GLU CA C 13 55.937 0.063 . 1 . . . . 40 GLU CA . 16516 1 21 . 1 1 8 8 GLU CB C 13 29.815 0.047 . 1 . . . . 40 GLU CB . 16516 1 22 . 1 1 8 8 GLU N N 15 120.751 0.061 . 1 . . . . 40 GLU N . 16516 1 23 . 1 1 9 9 GLY H H 1 8.259 0.002 . 1 . . . . 41 GLY H . 16516 1 24 . 1 1 9 9 GLY C C 13 171.698 0.000 . 1 . . . . 41 GLY C . 16516 1 25 . 1 1 9 9 GLY CA C 13 44.090 0.006 . 1 . . . . 41 GLY CA . 16516 1 26 . 1 1 9 9 GLY N N 15 110.278 0.202 . 1 . . . . 41 GLY N . 16516 1 27 . 1 1 10 10 PRO C C 13 176.354 0.000 . 1 . . . . 42 PRO C . 16516 1 28 . 1 1 10 10 PRO CA C 13 62.810 0.068 . 1 . . . . 42 PRO CA . 16516 1 29 . 1 1 10 10 PRO CB C 13 31.302 0.036 . 1 . . . . 42 PRO CB . 16516 1 30 . 1 1 11 11 ALA H H 1 7.983 0.001 . 1 . . . . 43 ALA H . 16516 1 31 . 1 1 11 11 ALA C C 13 175.831 0.057 . 1 . . . . 43 ALA C . 16516 1 32 . 1 1 11 11 ALA CA C 13 50.703 0.036 . 1 . . . . 43 ALA CA . 16516 1 33 . 1 1 11 11 ALA CB C 13 16.491 0.010 . 1 . . . . 43 ALA CB . 16516 1 34 . 1 1 11 11 ALA N N 15 125.906 0.066 . 1 . . . . 43 ALA N . 16516 1 35 . 1 1 12 12 LEU H H 1 7.625 0.008 . 1 . . . . 44 LEU H . 16516 1 36 . 1 1 12 12 LEU C C 13 176.128 0.024 . 1 . . . . 44 LEU C . 16516 1 37 . 1 1 12 12 LEU CA C 13 54.476 0.090 . 1 . . . . 44 LEU CA . 16516 1 38 . 1 1 12 12 LEU CB C 13 41.766 0.210 . 1 . . . . 44 LEU CB . 16516 1 39 . 1 1 12 12 LEU N N 15 122.232 0.079 . 1 . . . . 44 LEU N . 16516 1 40 . 1 1 13 13 TYR H H 1 8.320 0.003 . 1 . . . . 45 TYR H . 16516 1 41 . 1 1 13 13 TYR C C 13 173.707 0.118 . 1 . . . . 45 TYR C . 16516 1 42 . 1 1 13 13 TYR CA C 13 57.689 0.044 . 1 . . . . 45 TYR CA . 16516 1 43 . 1 1 13 13 TYR CB C 13 41.369 0.021 . 1 . . . . 45 TYR CB . 16516 1 44 . 1 1 13 13 TYR N N 15 123.094 0.079 . 1 . . . . 45 TYR N . 16516 1 45 . 1 1 14 14 GLU H H 1 7.679 0.001 . 1 . . . . 46 GLU H . 16516 1 46 . 1 1 14 14 GLU C C 13 173.432 0.023 . 1 . . . . 46 GLU C . 16516 1 47 . 1 1 14 14 GLU CA C 13 53.445 0.044 . 1 . . . . 46 GLU CA . 16516 1 48 . 1 1 14 14 GLU CB C 13 30.248 0.011 . 1 . . . . 46 GLU CB . 16516 1 49 . 1 1 14 14 GLU N N 15 129.732 0.066 . 1 . . . . 46 GLU N . 16516 1 50 . 1 1 15 15 ASP H H 1 8.438 0.003 . 1 . . . . 47 ASP H . 16516 1 51 . 1 1 15 15 ASP C C 13 174.892 0.000 . 1 . . . . 47 ASP C . 16516 1 52 . 1 1 15 15 ASP CA C 13 52.383 0.006 . 1 . . . . 47 ASP CA . 16516 1 53 . 1 1 15 15 ASP CB C 13 41.623 0.000 . 1 . . . . 47 ASP CB . 16516 1 54 . 1 1 15 15 ASP N N 15 131.403 0.039 . 1 . . . . 47 ASP N . 16516 1 55 . 1 1 16 16 PRO C C 13 175.938 0.000 . 1 . . . . 49 PRO C . 16516 1 56 . 1 1 16 16 PRO CA C 13 62.866 0.067 . 1 . . . . 49 PRO CA . 16516 1 57 . 1 1 16 16 PRO CB C 13 31.360 0.038 . 1 . . . . 49 PRO CB . 16516 1 58 . 1 1 18 18 ASP H H 1 8.463 0.001 . 1 . . . . 50 ASP H . 16516 1 59 . 1 1 18 18 ASP C C 13 175.401 0.024 . 1 . . . . 50 ASP C . 16516 1 60 . 1 1 18 18 ASP CA C 13 55.000 0.049 . 1 . . . . 50 ASP CA . 16516 1 61 . 1 1 18 18 ASP CB C 13 39.464 0.030 . 1 . . . . 50 ASP CB . 16516 1 62 . 1 1 18 18 ASP N N 15 122.491 0.050 . 1 . . . . 50 ASP N . 16516 1 63 . 1 1 19 19 GLN H H 1 10.246 0.001 . 1 . . . . 51 GLN H . 16516 1 64 . 1 1 19 19 GLN C C 13 174.474 0.007 . 1 . . . . 51 GLN C . 16516 1 65 . 1 1 19 19 GLN CA C 13 54.623 0.087 . 1 . . . . 51 GLN CA . 16516 1 66 . 1 1 19 19 GLN CB C 13 27.723 0.015 . 1 . . . . 51 GLN CB . 16516 1 67 . 1 1 19 19 GLN N N 15 130.203 0.038 . 1 . . . . 51 GLN N . 16516 1 68 . 1 1 20 20 LYS H H 1 7.746 0.002 . 1 . . . . 52 LYS H . 16516 1 69 . 1 1 20 20 LYS C C 13 175.293 0.013 . 1 . . . . 52 LYS C . 16516 1 70 . 1 1 20 20 LYS CA C 13 55.257 0.070 . 1 . . . . 52 LYS CA . 16516 1 71 . 1 1 20 20 LYS CB C 13 30.962 0.031 . 1 . . . . 52 LYS CB . 16516 1 72 . 1 1 20 20 LYS N N 15 120.494 0.040 . 1 . . . . 52 LYS N . 16516 1 73 . 1 1 21 21 THR H H 1 7.338 0.001 . 1 . . . . 53 THR H . 16516 1 74 . 1 1 21 21 THR C C 13 173.500 0.018 . 1 . . . . 53 THR C . 16516 1 75 . 1 1 21 21 THR CA C 13 60.243 0.077 . 1 . . . . 53 THR CA . 16516 1 76 . 1 1 21 21 THR CB C 13 70.583 0.011 . 1 . . . . 53 THR CB . 16516 1 77 . 1 1 21 21 THR N N 15 113.758 0.085 . 1 . . . . 53 THR N . 16516 1 78 . 1 1 22 22 SER H H 1 9.138 0.002 . 1 . . . . 54 SER H . 16516 1 79 . 1 1 22 22 SER C C 13 175.222 0.000 . 1 . . . . 54 SER C . 16516 1 80 . 1 1 22 22 SER CA C 13 56.900 0.078 . 1 . . . . 54 SER CA . 16516 1 81 . 1 1 22 22 SER CB C 13 62.445 0.000 . 1 . . . . 54 SER CB . 16516 1 82 . 1 1 22 22 SER N N 15 123.627 0.045 . 1 . . . . 54 SER N . 16516 1 83 . 1 1 23 23 PRO C C 13 177.750 0.000 . 1 . . . . 55 PRO C . 16516 1 84 . 1 1 23 23 PRO CA C 13 65.306 0.031 . 1 . . . . 55 PRO CA . 16516 1 85 . 1 1 23 23 PRO CB C 13 30.779 0.015 . 1 . . . . 55 PRO CB . 16516 1 86 . 1 1 24 24 SER H H 1 7.748 0.003 . 1 . . . . 56 SER H . 16516 1 87 . 1 1 24 24 SER C C 13 174.983 0.031 . 1 . . . . 56 SER C . 16516 1 88 . 1 1 24 24 SER CA C 13 57.687 0.075 . 1 . . . . 56 SER CA . 16516 1 89 . 1 1 24 24 SER CB C 13 62.868 0.058 . 1 . . . . 56 SER CB . 16516 1 90 . 1 1 24 24 SER N N 15 109.350 0.049 . 1 . . . . 56 SER N . 16516 1 91 . 1 1 25 25 GLY H H 1 8.357 0.004 . 1 . . . . 57 GLY H . 16516 1 92 . 1 1 25 25 GLY C C 13 174.212 0.016 . 1 . . . . 57 GLY C . 16516 1 93 . 1 1 25 25 GLY CA C 13 44.809 0.033 . 1 . . . . 57 GLY CA . 16516 1 94 . 1 1 25 25 GLY N N 15 111.566 0.054 . 1 . . . . 57 GLY N . 16516 1 95 . 1 1 26 26 LYS H H 1 7.452 0.001 . 1 . . . . 58 LYS H . 16516 1 96 . 1 1 26 26 LYS CA C 13 53.295 0.058 . 1 . . . . 58 LYS CA . 16516 1 97 . 1 1 26 26 LYS CB C 13 31.335 0.000 . 1 . . . . 58 LYS CB . 16516 1 98 . 1 1 26 26 LYS N N 15 122.056 0.022 . 1 . . . . 58 LYS N . 16516 1 99 . 1 1 27 27 PRO C C 13 176.694 0.048 . 1 . . . . 59 PRO C . 16516 1 100 . 1 1 27 27 PRO CA C 13 61.732 0.065 . 1 . . . . 59 PRO CA . 16516 1 101 . 1 1 28 28 ALA H H 1 8.221 0.004 . 1 . . . . 60 ALA H . 16516 1 102 . 1 1 28 28 ALA C C 13 178.164 0.016 . 1 . . . . 60 ALA C . 16516 1 103 . 1 1 28 28 ALA CA C 13 52.858 0.062 . 1 . . . . 60 ALA CA . 16516 1 104 . 1 1 28 28 ALA CB C 13 18.702 0.078 . 1 . . . . 60 ALA CB . 16516 1 105 . 1 1 28 28 ALA N N 15 121.056 0.227 . 1 . . . . 60 ALA N . 16516 1 106 . 1 1 29 29 THR H H 1 9.142 0.002 . 1 . . . . 61 THR H . 16516 1 107 . 1 1 29 29 THR C C 13 173.721 0.016 . 1 . . . . 61 THR C . 16516 1 108 . 1 1 29 29 THR CA C 13 60.481 0.027 . 1 . . . . 61 THR CA . 16516 1 109 . 1 1 29 29 THR CB C 13 70.158 0.103 . 1 . . . . 61 THR CB . 16516 1 110 . 1 1 29 29 THR N N 15 113.414 0.037 . 1 . . . . 61 THR N . 16516 1 111 . 1 1 30 30 LEU H H 1 8.134 0.005 . 1 . . . . 62 LEU H . 16516 1 112 . 1 1 30 30 LEU C C 13 173.415 0.000 . 1 . . . . 62 LEU C . 16516 1 113 . 1 1 30 30 LEU CA C 13 54.189 0.074 . 1 . . . . 62 LEU CA . 16516 1 114 . 1 1 30 30 LEU CB C 13 45.305 0.042 . 1 . . . . 62 LEU CB . 16516 1 115 . 1 1 30 30 LEU N N 15 125.919 0.058 . 1 . . . . 62 LEU N . 16516 1 116 . 1 1 31 31 LYS H H 1 9.657 0.003 . 1 . . . . 63 LYS H . 16516 1 117 . 1 1 31 31 LYS C C 13 175.828 0.006 . 1 . . . . 63 LYS C . 16516 1 118 . 1 1 31 31 LYS CA C 13 53.745 0.087 . 1 . . . . 63 LYS CA . 16516 1 119 . 1 1 31 31 LYS CB C 13 34.739 0.110 . 1 . . . . 63 LYS CB . 16516 1 120 . 1 1 31 31 LYS N N 15 130.158 0.033 . 1 . . . . 63 LYS N . 16516 1 121 . 1 1 32 32 ILE H H 1 9.024 0.008 . 1 . . . . 64 ILE H . 16516 1 122 . 1 1 32 32 ILE C C 13 173.827 0.013 . 1 . . . . 64 ILE C . 16516 1 123 . 1 1 32 32 ILE CA C 13 59.159 0.061 . 1 . . . . 64 ILE CA . 16516 1 124 . 1 1 32 32 ILE CB C 13 39.672 0.022 . 1 . . . . 64 ILE CB . 16516 1 125 . 1 1 32 32 ILE N N 15 127.683 0.105 . 1 . . . . 64 ILE N . 16516 1 126 . 1 1 33 33 CYS H H 1 9.278 0.001 . 1 . . . . 65 CYS H . 16516 1 127 . 1 1 33 33 CYS C C 13 172.734 0.013 . 1 . . . . 65 CYS C . 16516 1 128 . 1 1 33 33 CYS CA C 13 56.308 0.026 . 1 . . . . 65 CYS CA . 16516 1 129 . 1 1 33 33 CYS CB C 13 30.650 0.029 . 1 . . . . 65 CYS CB . 16516 1 130 . 1 1 33 33 CYS N N 15 127.104 0.031 . 1 . . . . 65 CYS N . 16516 1 131 . 1 1 34 34 SER H H 1 9.370 0.004 . 1 . . . . 66 SER H . 16516 1 132 . 1 1 34 34 SER C C 13 172.691 0.000 . 1 . . . . 66 SER C . 16516 1 133 . 1 1 34 34 SER CA C 13 55.800 0.175 . 1 . . . . 66 SER CA . 16516 1 134 . 1 1 34 34 SER CB C 13 64.192 0.070 . 1 . . . . 66 SER CB . 16516 1 135 . 1 1 34 34 SER N N 15 124.599 0.048 . 1 . . . . 66 SER N . 16516 1 136 . 1 1 35 35 TRP H H 1 8.958 0.003 . 1 . . . . 67 TRP H . 16516 1 137 . 1 1 35 35 TRP C C 13 173.930 0.003 . 1 . . . . 67 TRP C . 16516 1 138 . 1 1 35 35 TRP CA C 13 54.297 0.036 . 1 . . . . 67 TRP CA . 16516 1 139 . 1 1 35 35 TRP CB C 13 32.870 0.052 . 1 . . . . 67 TRP CB . 16516 1 140 . 1 1 35 35 TRP N N 15 129.453 0.037 . 1 . . . . 67 TRP N . 16516 1 141 . 1 1 36 36 ASN H H 1 9.366 0.003 . 1 . . . . 68 ASN H . 16516 1 142 . 1 1 36 36 ASN C C 13 175.620 0.010 . 1 . . . . 68 ASN C . 16516 1 143 . 1 1 36 36 ASN CA C 13 52.095 0.029 . 1 . . . . 68 ASN CA . 16516 1 144 . 1 1 36 36 ASN CB C 13 35.055 0.034 . 1 . . . . 68 ASN CB . 16516 1 145 . 1 1 36 36 ASN N N 15 126.466 0.029 . 1 . . . . 68 ASN N . 16516 1 146 . 1 1 37 37 VAL H H 1 7.216 0.004 . 1 . . . . 69 VAL H . 16516 1 147 . 1 1 37 37 VAL C C 13 173.694 0.006 . 1 . . . . 69 VAL C . 16516 1 148 . 1 1 37 37 VAL CA C 13 60.681 0.099 . 1 . . . . 69 VAL CA . 16516 1 149 . 1 1 37 37 VAL CB C 13 30.134 0.000 . 1 . . . . 69 VAL CB . 16516 1 150 . 1 1 37 37 VAL N N 15 116.699 0.083 . 1 . . . . 69 VAL N . 16516 1 151 . 1 1 38 38 ASP H H 1 7.556 0.007 . 1 . . . . 70 ASP H . 16516 1 152 . 1 1 38 38 ASP C C 13 175.416 0.000 . 1 . . . . 70 ASP C . 16516 1 153 . 1 1 38 38 ASP CA C 13 55.751 0.092 . 1 . . . . 70 ASP CA . 16516 1 154 . 1 1 38 38 ASP CB C 13 39.477 0.017 . 1 . . . . 70 ASP CB . 16516 1 155 . 1 1 38 38 ASP N N 15 115.343 0.125 . 1 . . . . 70 ASP N . 16516 1 156 . 1 1 39 39 GLY H H 1 8.328 0.003 . 1 . . . . 71 GLY H . 16516 1 157 . 1 1 39 39 GLY C C 13 172.666 0.003 . 1 . . . . 71 GLY C . 16516 1 158 . 1 1 39 39 GLY CA C 13 44.294 0.032 . 1 . . . . 71 GLY CA . 16516 1 159 . 1 1 39 39 GLY N N 15 106.530 0.060 . 1 . . . . 71 GLY N . 16516 1 160 . 1 1 40 40 LEU H H 1 8.849 0.002 . 1 . . . . 72 LEU H . 16516 1 161 . 1 1 40 40 LEU C C 13 178.314 0.018 . 1 . . . . 72 LEU C . 16516 1 162 . 1 1 40 40 LEU CA C 13 58.281 0.014 . 1 . . . . 72 LEU CA . 16516 1 163 . 1 1 40 40 LEU CB C 13 43.443 0.091 . 1 . . . . 72 LEU CB . 16516 1 164 . 1 1 40 40 LEU N N 15 126.397 0.046 . 1 . . . . 72 LEU N . 16516 1 165 . 1 1 41 41 ARG H H 1 8.349 0.007 . 1 . . . . 73 ARG H . 16516 1 166 . 1 1 41 41 ARG C C 13 179.090 0.008 . 1 . . . . 73 ARG C . 16516 1 167 . 1 1 41 41 ARG CA C 13 60.103 0.071 . 1 . . . . 73 ARG CA . 16516 1 168 . 1 1 41 41 ARG CB C 13 28.397 0.016 . 1 . . . . 73 ARG CB . 16516 1 169 . 1 1 41 41 ARG N N 15 115.563 0.060 . 1 . . . . 73 ARG N . 16516 1 170 . 1 1 42 42 ALA H H 1 7.981 0.004 . 1 . . . . 74 ALA H . 16516 1 171 . 1 1 42 42 ALA C C 13 179.088 0.008 . 1 . . . . 74 ALA C . 16516 1 172 . 1 1 42 42 ALA CA C 13 54.753 0.041 . 1 . . . . 74 ALA CA . 16516 1 173 . 1 1 42 42 ALA CB C 13 17.522 0.044 . 1 . . . . 74 ALA CB . 16516 1 174 . 1 1 42 42 ALA N N 15 125.585 0.097 . 1 . . . . 74 ALA N . 16516 1 175 . 1 1 43 43 TRP H H 1 8.700 0.006 . 1 . . . . 75 TRP H . 16516 1 176 . 1 1 43 43 TRP C C 13 179.739 0.011 . 1 . . . . 75 TRP C . 16516 1 177 . 1 1 43 43 TRP CA C 13 60.129 0.083 . 1 . . . . 75 TRP CA . 16516 1 178 . 1 1 43 43 TRP CB C 13 27.340 0.047 . 1 . . . . 75 TRP CB . 16516 1 179 . 1 1 43 43 TRP N N 15 123.346 0.091 . 1 . . . . 75 TRP N . 16516 1 180 . 1 1 44 44 ILE H H 1 8.427 0.002 . 1 . . . . 76 ILE H . 16516 1 181 . 1 1 44 44 ILE C C 13 181.554 0.009 . 1 . . . . 76 ILE C . 16516 1 182 . 1 1 44 44 ILE CA C 13 64.507 0.040 . 1 . . . . 76 ILE CA . 16516 1 183 . 1 1 44 44 ILE CB C 13 37.173 0.013 . 1 . . . . 76 ILE CB . 16516 1 184 . 1 1 44 44 ILE N N 15 119.875 0.062 . 1 . . . . 76 ILE N . 16516 1 185 . 1 1 45 45 LYS H H 1 7.727 0.001 . 1 . . . . 77 LYS H . 16516 1 186 . 1 1 45 45 LYS C C 13 178.040 0.007 . 1 . . . . 77 LYS C . 16516 1 187 . 1 1 45 45 LYS CA C 13 58.763 0.044 . 1 . . . . 77 LYS CA . 16516 1 188 . 1 1 45 45 LYS CB C 13 30.841 0.064 . 1 . . . . 77 LYS CB . 16516 1 189 . 1 1 45 45 LYS N N 15 123.692 0.068 . 1 . . . . 77 LYS N . 16516 1 190 . 1 1 46 46 LYS H H 1 7.634 0.004 . 1 . . . . 78 LYS H . 16516 1 191 . 1 1 46 46 LYS C C 13 174.663 0.022 . 1 . . . . 78 LYS C . 16516 1 192 . 1 1 46 46 LYS CA C 13 56.311 0.062 . 1 . . . . 78 LYS CA . 16516 1 193 . 1 1 46 46 LYS CB C 13 31.315 0.040 . 1 . . . . 78 LYS CB . 16516 1 194 . 1 1 46 46 LYS N N 15 119.545 0.097 . 1 . . . . 78 LYS N . 16516 1 195 . 1 1 47 47 LYS H H 1 7.463 0.003 . 1 . . . . 79 LYS H . 16516 1 196 . 1 1 47 47 LYS C C 13 178.427 0.000 . 1 . . . . 79 LYS C . 16516 1 197 . 1 1 47 47 LYS CA C 13 57.034 0.008 . 1 . . . . 79 LYS CA . 16516 1 198 . 1 1 47 47 LYS CB C 13 26.567 0.000 . 1 . . . . 79 LYS CB . 16516 1 199 . 1 1 47 47 LYS N N 15 110.016 0.047 . 1 . . . . 79 LYS N . 16516 1 200 . 1 1 52 52 VAL C C 13 177.755 0.030 . 1 . . . . 84 VAL C . 16516 1 201 . 1 1 52 52 VAL CA C 13 66.525 0.046 . 1 . . . . 84 VAL CA . 16516 1 202 . 1 1 52 52 VAL CB C 13 30.909 0.015 . 1 . . . . 84 VAL CB . 16516 1 203 . 1 1 53 53 LYS H H 1 7.983 0.007 . 1 . . . . 85 LYS H . 16516 1 204 . 1 1 53 53 LYS C C 13 178.606 0.008 . 1 . . . . 85 LYS C . 16516 1 205 . 1 1 53 53 LYS CA C 13 59.347 0.018 . 1 . . . . 85 LYS CA . 16516 1 206 . 1 1 53 53 LYS CB C 13 31.574 0.016 . 1 . . . . 85 LYS CB . 16516 1 207 . 1 1 53 53 LYS N N 15 118.348 0.065 . 1 . . . . 85 LYS N . 16516 1 208 . 1 1 54 54 GLU H H 1 6.927 0.002 . 1 . . . . 86 GLU H . 16516 1 209 . 1 1 54 54 GLU C C 13 177.605 0.000 . 1 . . . . 86 GLU C . 16516 1 210 . 1 1 54 54 GLU CA C 13 57.724 0.031 . 1 . . . . 86 GLU CA . 16516 1 211 . 1 1 54 54 GLU CB C 13 28.606 0.000 . 1 . . . . 86 GLU CB . 16516 1 212 . 1 1 54 54 GLU N N 15 118.345 0.066 . 1 . . . . 86 GLU N . 16516 1 213 . 1 1 55 55 GLU C C 13 176.046 0.000 . 1 . . . . 87 GLU C . 16516 1 214 . 1 1 55 55 GLU CA C 13 56.750 0.092 . 1 . . . . 87 GLU CA . 16516 1 215 . 1 1 55 55 GLU CB C 13 29.446 0.000 . 1 . . . . 87 GLU CB . 16516 1 216 . 1 1 56 56 ALA H H 1 8.266 0.007 . 1 . . . . 88 ALA H . 16516 1 217 . 1 1 56 56 ALA C C 13 174.521 0.000 . 1 . . . . 88 ALA C . 16516 1 218 . 1 1 56 56 ALA CA C 13 51.653 0.067 . 1 . . . . 88 ALA CA . 16516 1 219 . 1 1 56 56 ALA CB C 13 16.551 0.000 . 1 . . . . 88 ALA CB . 16516 1 220 . 1 1 56 56 ALA N N 15 117.180 0.104 . 1 . . . . 88 ALA N . 16516 1 221 . 1 1 58 58 ASP C C 13 175.871 0.000 . 1 . . . . 90 ASP C . 16516 1 222 . 1 1 58 58 ASP CA C 13 57.046 0.071 . 1 . . . . 90 ASP CA . 16516 1 223 . 1 1 58 58 ASP CB C 13 42.995 0.000 . 1 . . . . 90 ASP CB . 16516 1 224 . 1 1 59 59 ILE H H 1 7.485 0.011 . 1 . . . . 91 ILE H . 16516 1 225 . 1 1 59 59 ILE C C 13 173.071 0.006 . 1 . . . . 91 ILE C . 16516 1 226 . 1 1 59 59 ILE CA C 13 60.048 0.044 . 1 . . . . 91 ILE CA . 16516 1 227 . 1 1 59 59 ILE CB C 13 42.291 0.068 . 1 . . . . 91 ILE CB . 16516 1 228 . 1 1 59 59 ILE N N 15 115.087 0.044 . 1 . . . . 91 ILE N . 16516 1 229 . 1 1 60 60 LEU H H 1 9.905 0.002 . 1 . . . . 92 LEU H . 16516 1 230 . 1 1 60 60 LEU C C 13 173.625 0.001 . 1 . . . . 92 LEU C . 16516 1 231 . 1 1 60 60 LEU CA C 13 52.362 0.055 . 1 . . . . 92 LEU CA . 16516 1 232 . 1 1 60 60 LEU CB C 13 45.529 0.086 . 1 . . . . 92 LEU CB . 16516 1 233 . 1 1 60 60 LEU N N 15 130.583 0.027 . 1 . . . . 92 LEU N . 16516 1 234 . 1 1 61 61 CYS H H 1 9.537 0.003 . 1 . . . . 93 CYS H . 16516 1 235 . 1 1 61 61 CYS C C 13 172.687 0.007 . 1 . . . . 93 CYS C . 16516 1 236 . 1 1 61 61 CYS CA C 13 56.485 0.067 . 1 . . . . 93 CYS CA . 16516 1 237 . 1 1 61 61 CYS CB C 13 29.720 0.021 . 1 . . . . 93 CYS CB . 16516 1 238 . 1 1 61 61 CYS N N 15 126.731 0.062 . 1 . . . . 93 CYS N . 16516 1 239 . 1 1 62 62 LEU H H 1 9.002 0.008 . 1 . . . . 94 LEU H . 16516 1 240 . 1 1 62 62 LEU C C 13 177.275 0.040 . 1 . . . . 94 LEU C . 16516 1 241 . 1 1 62 62 LEU CA C 13 51.932 0.121 . 1 . . . . 94 LEU CA . 16516 1 242 . 1 1 62 62 LEU CB C 13 45.092 0.081 . 1 . . . . 94 LEU CB . 16516 1 243 . 1 1 62 62 LEU N N 15 122.532 0.156 . 1 . . . . 94 LEU N . 16516 1 244 . 1 1 63 63 GLN H H 1 8.075 0.005 . 1 . . . . 95 GLN H . 16516 1 245 . 1 1 63 63 GLN C C 13 174.500 0.020 . 1 . . . . 95 GLN C . 16516 1 246 . 1 1 63 63 GLN CA C 13 54.204 0.063 . 1 . . . . 95 GLN CA . 16516 1 247 . 1 1 63 63 GLN CB C 13 29.639 0.039 . 1 . . . . 95 GLN CB . 16516 1 248 . 1 1 63 63 GLN N N 15 115.980 0.038 . 1 . . . . 95 GLN N . 16516 1 249 . 1 1 64 64 GLU H H 1 8.358 0.021 . 1 . . . . 96 GLU H . 16516 1 250 . 1 1 64 64 GLU C C 13 175.822 0.000 . 1 . . . . 96 GLU C . 16516 1 251 . 1 1 64 64 GLU CA C 13 57.677 0.055 . 1 . . . . 96 GLU CA . 16516 1 252 . 1 1 64 64 GLU N N 15 122.983 0.083 . 1 . . . . 96 GLU N . 16516 1 253 . 1 1 65 65 THR H H 1 7.749 0.008 . 1 . . . . 97 THR H . 16516 1 254 . 1 1 65 65 THR C C 13 177.551 0.025 . 1 . . . . 97 THR C . 16516 1 255 . 1 1 65 65 THR CA C 13 63.539 0.079 . 1 . . . . 97 THR CA . 16516 1 256 . 1 1 65 65 THR CB C 13 66.540 0.031 . 1 . . . . 97 THR CB . 16516 1 257 . 1 1 65 65 THR N N 15 110.411 0.108 . 1 . . . . 97 THR N . 16516 1 258 . 1 1 66 66 LYS H H 1 9.319 0.003 . 1 . . . . 98 LYS H . 16516 1 259 . 1 1 66 66 LYS C C 13 175.114 0.008 . 1 . . . . 98 LYS C . 16516 1 260 . 1 1 66 66 LYS CA C 13 57.076 0.068 . 1 . . . . 98 LYS CA . 16516 1 261 . 1 1 66 66 LYS CB C 13 29.960 0.060 . 1 . . . . 98 LYS CB . 16516 1 262 . 1 1 66 66 LYS N N 15 118.115 0.121 . 1 . . . . 98 LYS N . 16516 1 263 . 1 1 67 67 CYS H H 1 7.508 0.008 . 1 . . . . 99 CYS H . 16516 1 264 . 1 1 67 67 CYS C C 13 172.450 0.005 . 1 . . . . 99 CYS C . 16516 1 265 . 1 1 67 67 CYS CA C 13 57.586 0.075 . 1 . . . . 99 CYS CA . 16516 1 266 . 1 1 67 67 CYS CB C 13 29.664 0.017 . 1 . . . . 99 CYS CB . 16516 1 267 . 1 1 67 67 CYS N N 15 116.097 0.285 . 1 . . . . 99 CYS N . 16516 1 268 . 1 1 68 68 SER H H 1 8.363 0.005 . 1 . . . . 100 SER H . 16516 1 269 . 1 1 68 68 SER C C 13 174.966 0.000 . 1 . . . . 100 SER C . 16516 1 270 . 1 1 68 68 SER CA C 13 57.165 0.045 . 1 . . . . 100 SER CA . 16516 1 271 . 1 1 68 68 SER CB C 13 63.966 0.005 . 1 . . . . 100 SER CB . 16516 1 272 . 1 1 68 68 SER N N 15 119.616 0.081 . 1 . . . . 100 SER N . 16516 1 273 . 1 1 69 69 GLU C C 13 176.482 0.000 . 1 . . . . 101 GLU C . 16516 1 274 . 1 1 69 69 GLU CA C 13 57.856 0.056 . 1 . . . . 101 GLU CA . 16516 1 275 . 1 1 70 70 ASN H H 1 8.099 0.003 . 1 . . . . 102 ASN H . 16516 1 276 . 1 1 70 70 ASN C C 13 175.190 0.023 . 1 . . . . 102 ASN C . 16516 1 277 . 1 1 70 70 ASN CA C 13 53.534 0.082 . 1 . . . . 102 ASN CA . 16516 1 278 . 1 1 70 70 ASN CB C 13 37.669 0.010 . 1 . . . . 102 ASN CB . 16516 1 279 . 1 1 70 70 ASN N N 15 115.350 0.052 . 1 . . . . 102 ASN N . 16516 1 280 . 1 1 71 71 LYS H H 1 7.349 0.002 . 1 . . . . 103 LYS H . 16516 1 281 . 1 1 71 71 LYS CA C 13 54.141 0.046 . 1 . . . . 103 LYS CA . 16516 1 282 . 1 1 71 71 LYS CB C 13 31.952 0.000 . 1 . . . . 103 LYS CB . 16516 1 283 . 1 1 71 71 LYS N N 15 120.451 0.048 . 1 . . . . 103 LYS N . 16516 1 284 . 1 1 73 73 PRO C C 13 177.773 0.000 . 1 . . . . 105 PRO C . 16516 1 285 . 1 1 73 73 PRO CA C 13 62.356 0.041 . 1 . . . . 105 PRO CA . 16516 1 286 . 1 1 73 73 PRO CB C 13 31.425 0.000 . 1 . . . . 105 PRO CB . 16516 1 287 . 1 1 74 74 ALA H H 1 8.774 0.001 . 1 . . . . 106 ALA H . 16516 1 288 . 1 1 74 74 ALA C C 13 179.905 0.005 . 1 . . . . 106 ALA C . 16516 1 289 . 1 1 74 74 ALA CA C 13 54.261 0.020 . 1 . . . . 106 ALA CA . 16516 1 290 . 1 1 74 74 ALA CB C 13 17.701 0.026 . 1 . . . . 106 ALA CB . 16516 1 291 . 1 1 74 74 ALA N N 15 129.250 0.040 . 1 . . . . 106 ALA N . 16516 1 292 . 1 1 75 75 GLU H H 1 10.051 0.004 . 1 . . . . 107 GLU H . 16516 1 293 . 1 1 75 75 GLU C C 13 178.492 0.015 . 1 . . . . 107 GLU C . 16516 1 294 . 1 1 75 75 GLU CA C 13 59.972 0.043 . 1 . . . . 107 GLU CA . 16516 1 295 . 1 1 75 75 GLU CB C 13 28.299 0.032 . 1 . . . . 107 GLU CB . 16516 1 296 . 1 1 75 75 GLU N N 15 118.154 0.056 . 1 . . . . 107 GLU N . 16516 1 297 . 1 1 76 76 LEU H H 1 7.143 0.002 . 1 . . . . 108 LEU H . 16516 1 298 . 1 1 76 76 LEU C C 13 178.131 0.047 . 1 . . . . 108 LEU C . 16516 1 299 . 1 1 76 76 LEU CA C 13 56.012 0.022 . 1 . . . . 108 LEU CA . 16516 1 300 . 1 1 76 76 LEU CB C 13 40.176 0.019 . 1 . . . . 108 LEU CB . 16516 1 301 . 1 1 76 76 LEU N N 15 116.862 0.051 . 1 . . . . 108 LEU N . 16516 1 302 . 1 1 77 77 GLN H H 1 7.680 0.001 . 1 . . . . 109 GLN H . 16516 1 303 . 1 1 77 77 GLN C C 13 176.747 0.033 . 1 . . . . 109 GLN C . 16516 1 304 . 1 1 77 77 GLN CA C 13 56.767 0.037 . 1 . . . . 109 GLN CA . 16516 1 305 . 1 1 77 77 GLN CB C 13 27.711 0.038 . 1 . . . . 109 GLN CB . 16516 1 306 . 1 1 77 77 GLN N N 15 116.845 0.044 . 1 . . . . 109 GLN N . 16516 1 307 . 1 1 78 78 GLU H H 1 7.410 0.006 . 1 . . . . 110 GLU H . 16516 1 308 . 1 1 78 78 GLU C C 13 175.751 0.004 . 1 . . . . 110 GLU C . 16516 1 309 . 1 1 78 78 GLU CA C 13 54.808 0.020 . 1 . . . . 110 GLU CA . 16516 1 310 . 1 1 78 78 GLU CB C 13 28.483 0.035 . 1 . . . . 110 GLU CB . 16516 1 311 . 1 1 78 78 GLU N N 15 117.138 0.029 . 1 . . . . 110 GLU N . 16516 1 312 . 1 1 79 79 LEU H H 1 6.972 0.001 . 1 . . . . 111 LEU H . 16516 1 313 . 1 1 79 79 LEU C C 13 174.854 0.000 . 1 . . . . 111 LEU C . 16516 1 314 . 1 1 79 79 LEU CA C 13 52.034 0.002 . 1 . . . . 111 LEU CA . 16516 1 315 . 1 1 79 79 LEU CB C 13 41.684 0.000 . 1 . . . . 111 LEU CB . 16516 1 316 . 1 1 79 79 LEU N N 15 121.692 0.029 . 1 . . . . 111 LEU N . 16516 1 317 . 1 1 80 80 PRO C C 13 178.142 0.022 . 1 . . . . 112 PRO C . 16516 1 318 . 1 1 80 80 PRO CA C 13 63.416 0.055 . 1 . . . . 112 PRO CA . 16516 1 319 . 1 1 80 80 PRO CB C 13 30.789 0.009 . 1 . . . . 112 PRO CB . 16516 1 320 . 1 1 81 81 GLY H H 1 8.666 0.001 . 1 . . . . 113 GLY H . 16516 1 321 . 1 1 81 81 GLY C C 13 174.389 0.006 . 1 . . . . 113 GLY C . 16516 1 322 . 1 1 81 81 GLY CA C 13 45.515 0.029 . 1 . . . . 113 GLY CA . 16516 1 323 . 1 1 81 81 GLY N N 15 110.086 0.032 . 1 . . . . 113 GLY N . 16516 1 324 . 1 1 82 82 LEU H H 1 7.188 0.002 . 1 . . . . 114 LEU H . 16516 1 325 . 1 1 82 82 LEU C C 13 176.179 0.000 . 1 . . . . 114 LEU C . 16516 1 326 . 1 1 82 82 LEU CA C 13 52.246 0.016 . 1 . . . . 114 LEU CA . 16516 1 327 . 1 1 82 82 LEU CB C 13 40.663 0.015 . 1 . . . . 114 LEU CB . 16516 1 328 . 1 1 82 82 LEU N N 15 123.382 0.064 . 1 . . . . 114 LEU N . 16516 1 329 . 1 1 83 83 SER H H 1 7.649 0.001 . 1 . . . . 115 SER H . 16516 1 330 . 1 1 83 83 SER C C 13 174.808 0.000 . 1 . . . . 115 SER C . 16516 1 331 . 1 1 83 83 SER CA C 13 60.106 0.088 . 1 . . . . 115 SER CA . 16516 1 332 . 1 1 83 83 SER CB C 13 63.331 0.046 . 1 . . . . 115 SER CB . 16516 1 333 . 1 1 83 83 SER N N 15 113.200 0.049 . 1 . . . . 115 SER N . 16516 1 334 . 1 1 84 84 HIS H H 1 7.909 0.004 . 1 . . . . 116 HIS H . 16516 1 335 . 1 1 84 84 HIS C C 13 173.177 0.009 . 1 . . . . 116 HIS C . 16516 1 336 . 1 1 84 84 HIS CA C 13 55.490 0.042 . 1 . . . . 116 HIS CA . 16516 1 337 . 1 1 84 84 HIS CB C 13 27.027 0.075 . 1 . . . . 116 HIS CB . 16516 1 338 . 1 1 84 84 HIS N N 15 123.226 0.054 . 1 . . . . 116 HIS N . 16516 1 339 . 1 1 85 85 GLN H H 1 7.928 0.006 . 1 . . . . 117 GLN H . 16516 1 340 . 1 1 85 85 GLN C C 13 173.604 0.024 . 1 . . . . 117 GLN C . 16516 1 341 . 1 1 85 85 GLN CA C 13 54.065 0.043 . 1 . . . . 117 GLN CA . 16516 1 342 . 1 1 85 85 GLN CB C 13 29.555 0.028 . 1 . . . . 117 GLN CB . 16516 1 343 . 1 1 85 85 GLN N N 15 122.889 0.079 . 1 . . . . 117 GLN N . 16516 1 344 . 1 1 86 86 TYR H H 1 8.613 0.005 . 1 . . . . 118 TYR H . 16516 1 345 . 1 1 86 86 TYR C C 13 172.916 0.007 . 1 . . . . 118 TYR C . 16516 1 346 . 1 1 86 86 TYR CA C 13 56.920 0.054 . 1 . . . . 118 TYR CA . 16516 1 347 . 1 1 86 86 TYR CB C 13 39.979 0.022 . 1 . . . . 118 TYR CB . 16516 1 348 . 1 1 86 86 TYR N N 15 123.606 0.064 . 1 . . . . 118 TYR N . 16516 1 349 . 1 1 87 87 TRP H H 1 8.630 0.002 . 1 . . . . 119 TRP H . 16516 1 350 . 1 1 87 87 TRP C C 13 175.201 0.000 . 1 . . . . 119 TRP C . 16516 1 351 . 1 1 87 87 TRP CA C 13 55.403 0.007 . 1 . . . . 119 TRP CA . 16516 1 352 . 1 1 87 87 TRP CB C 13 32.758 0.000 . 1 . . . . 119 TRP CB . 16516 1 353 . 1 1 87 87 TRP N N 15 120.588 0.033 . 1 . . . . 119 TRP N . 16516 1 354 . 1 1 88 88 SER C C 13 173.106 0.000 . 1 . . . . 120 SER C . 16516 1 355 . 1 1 88 88 SER CA C 13 56.669 0.084 . 1 . . . . 120 SER CA . 16516 1 356 . 1 1 89 89 ALA H H 1 8.391 0.003 . 1 . . . . 121 ALA H . 16516 1 357 . 1 1 89 89 ALA C C 13 177.809 0.000 . 1 . . . . 121 ALA C . 16516 1 358 . 1 1 89 89 ALA CA C 13 50.306 0.067 . 1 . . . . 121 ALA CA . 16516 1 359 . 1 1 89 89 ALA CB C 13 18.872 0.000 . 1 . . . . 121 ALA CB . 16516 1 360 . 1 1 89 89 ALA N N 15 128.998 0.139 . 1 . . . . 121 ALA N . 16516 1 361 . 1 1 98 98 GLY C C 13 175.182 0.000 . 1 . . . . 130 GLY C . 16516 1 362 . 1 1 98 98 GLY CA C 13 45.197 0.085 . 1 . . . . 130 GLY CA . 16516 1 363 . 1 1 99 99 VAL H H 1 8.340 0.002 . 1 . . . . 131 VAL H . 16516 1 364 . 1 1 99 99 VAL C C 13 174.743 0.017 . 1 . . . . 131 VAL C . 16516 1 365 . 1 1 99 99 VAL CA C 13 58.598 0.033 . 1 . . . . 131 VAL CA . 16516 1 366 . 1 1 99 99 VAL CB C 13 36.533 0.059 . 1 . . . . 131 VAL CB . 16516 1 367 . 1 1 99 99 VAL N N 15 117.619 0.046 . 1 . . . . 131 VAL N . 16516 1 368 . 1 1 100 100 GLY H H 1 8.891 0.002 . 1 . . . . 132 GLY H . 16516 1 369 . 1 1 100 100 GLY C C 13 170.847 0.004 . 1 . . . . 132 GLY C . 16516 1 370 . 1 1 100 100 GLY CA C 13 44.524 0.074 . 1 . . . . 132 GLY CA . 16516 1 371 . 1 1 100 100 GLY N N 15 108.147 0.089 . 1 . . . . 132 GLY N . 16516 1 372 . 1 1 101 101 LEU H H 1 8.677 0.003 . 1 . . . . 133 LEU H . 16516 1 373 . 1 1 101 101 LEU C C 13 173.398 0.010 . 1 . . . . 133 LEU C . 16516 1 374 . 1 1 101 101 LEU CA C 13 54.809 0.134 . 1 . . . . 133 LEU CA . 16516 1 375 . 1 1 101 101 LEU CB C 13 45.332 0.095 . 1 . . . . 133 LEU CB . 16516 1 376 . 1 1 101 101 LEU N N 15 124.009 0.115 . 1 . . . . 133 LEU N . 16516 1 377 . 1 1 102 102 LEU H H 1 9.615 0.002 . 1 . . . . 134 LEU H . 16516 1 378 . 1 1 102 102 LEU C C 13 175.526 0.022 . 1 . . . . 134 LEU C . 16516 1 379 . 1 1 102 102 LEU CA C 13 54.194 0.040 . 1 . . . . 134 LEU CA . 16516 1 380 . 1 1 102 102 LEU CB C 13 43.240 0.038 . 1 . . . . 134 LEU CB . 16516 1 381 . 1 1 102 102 LEU N N 15 127.641 0.040 . 1 . . . . 134 LEU N . 16516 1 382 . 1 1 103 103 SER H H 1 9.591 0.002 . 1 . . . . 135 SER H . 16516 1 383 . 1 1 103 103 SER C C 13 174.766 0.008 . 1 . . . . 135 SER C . 16516 1 384 . 1 1 103 103 SER CA C 13 56.867 0.042 . 1 . . . . 135 SER CA . 16516 1 385 . 1 1 103 103 SER CB C 13 65.881 0.031 . 1 . . . . 135 SER CB . 16516 1 386 . 1 1 103 103 SER N N 15 116.054 0.044 . 1 . . . . 135 SER N . 16516 1 387 . 1 1 104 104 ARG H H 1 8.964 0.001 . 1 . . . . 136 ARG H . 16516 1 388 . 1 1 104 104 ARG C C 13 178.855 0.026 . 1 . . . . 136 ARG C . 16516 1 389 . 1 1 104 104 ARG CA C 13 58.762 0.051 . 1 . . . . 136 ARG CA . 16516 1 390 . 1 1 104 104 ARG CB C 13 30.277 0.112 . 1 . . . . 136 ARG CB . 16516 1 391 . 1 1 104 104 ARG N N 15 129.331 0.057 . 1 . . . . 136 ARG N . 16516 1 392 . 1 1 105 105 GLN H H 1 8.631 0.002 . 1 . . . . 137 GLN H . 16516 1 393 . 1 1 105 105 GLN C C 13 175.977 0.001 . 1 . . . . 137 GLN C . 16516 1 394 . 1 1 105 105 GLN CA C 13 53.489 0.038 . 1 . . . . 137 GLN CA . 16516 1 395 . 1 1 105 105 GLN CB C 13 29.535 0.058 . 1 . . . . 137 GLN CB . 16516 1 396 . 1 1 105 105 GLN N N 15 117.342 0.043 . 1 . . . . 137 GLN N . 16516 1 397 . 1 1 106 106 CYS H H 1 8.916 0.002 . 1 . . . . 138 CYS H . 16516 1 398 . 1 1 106 106 CYS C C 13 173.114 0.000 . 1 . . . . 138 CYS C . 16516 1 399 . 1 1 106 106 CYS CA C 13 57.261 0.019 . 1 . . . . 138 CYS CA . 16516 1 400 . 1 1 106 106 CYS CB C 13 26.375 0.000 . 1 . . . . 138 CYS CB . 16516 1 401 . 1 1 106 106 CYS N N 15 127.268 0.050 . 1 . . . . 138 CYS N . 16516 1 402 . 1 1 107 107 PRO C C 13 175.811 0.000 . 1 . . . . 139 PRO C . 16516 1 403 . 1 1 107 107 PRO CA C 13 62.161 0.051 . 1 . . . . 139 PRO CA . 16516 1 404 . 1 1 107 107 PRO CB C 13 30.628 0.000 . 1 . . . . 139 PRO CB . 16516 1 405 . 1 1 108 108 LEU H H 1 8.427 0.004 . 1 . . . . 140 LEU H . 16516 1 406 . 1 1 108 108 LEU C C 13 177.993 0.002 . 1 . . . . 140 LEU C . 16516 1 407 . 1 1 108 108 LEU CA C 13 56.565 0.025 . 1 . . . . 140 LEU CA . 16516 1 408 . 1 1 108 108 LEU CB C 13 41.194 0.015 . 1 . . . . 140 LEU CB . 16516 1 409 . 1 1 108 108 LEU N N 15 122.307 0.039 . 1 . . . . 140 LEU N . 16516 1 410 . 1 1 109 109 LYS H H 1 6.738 0.002 . 1 . . . . 141 LYS H . 16516 1 411 . 1 1 109 109 LYS C C 13 173.782 0.003 . 1 . . . . 141 LYS C . 16516 1 412 . 1 1 109 109 LYS CA C 13 55.519 0.031 . 1 . . . . 141 LYS CA . 16516 1 413 . 1 1 109 109 LYS CB C 13 34.774 0.027 . 1 . . . . 141 LYS CB . 16516 1 414 . 1 1 109 109 LYS N N 15 114.230 0.031 . 1 . . . . 141 LYS N . 16516 1 415 . 1 1 110 110 VAL H H 1 8.221 0.002 . 1 . . . . 142 VAL H . 16516 1 416 . 1 1 110 110 VAL C C 13 174.856 0.007 . 1 . . . . 142 VAL C . 16516 1 417 . 1 1 110 110 VAL CA C 13 60.476 0.040 . 1 . . . . 142 VAL CA . 16516 1 418 . 1 1 110 110 VAL CB C 13 33.363 0.045 . 1 . . . . 142 VAL CB . 16516 1 419 . 1 1 110 110 VAL N N 15 126.180 0.022 . 1 . . . . 142 VAL N . 16516 1 420 . 1 1 111 111 SER H H 1 9.006 0.004 . 1 . . . . 143 SER H . 16516 1 421 . 1 1 111 111 SER C C 13 171.004 0.016 . 1 . . . . 143 SER C . 16516 1 422 . 1 1 111 111 SER CA C 13 56.352 0.087 . 1 . . . . 143 SER CA . 16516 1 423 . 1 1 111 111 SER CB C 13 64.799 0.011 . 1 . . . . 143 SER CB . 16516 1 424 . 1 1 111 111 SER N N 15 122.140 0.031 . 1 . . . . 143 SER N . 16516 1 425 . 1 1 112 112 TYR H H 1 8.478 0.004 . 1 . . . . 144 TYR H . 16516 1 426 . 1 1 112 112 TYR C C 13 176.414 0.021 . 1 . . . . 144 TYR C . 16516 1 427 . 1 1 112 112 TYR CA C 13 56.513 0.066 . 1 . . . . 144 TYR CA . 16516 1 428 . 1 1 112 112 TYR CB C 13 39.853 0.071 . 1 . . . . 144 TYR CB . 16516 1 429 . 1 1 112 112 TYR N N 15 119.578 0.039 . 1 . . . . 144 TYR N . 16516 1 430 . 1 1 113 113 GLY H H 1 7.673 0.004 . 1 . . . . 145 GLY H . 16516 1 431 . 1 1 113 113 GLY C C 13 171.408 0.011 . 1 . . . . 145 GLY C . 16516 1 432 . 1 1 113 113 GLY CA C 13 43.916 0.065 . 1 . . . . 145 GLY CA . 16516 1 433 . 1 1 113 113 GLY N N 15 109.646 0.055 . 1 . . . . 145 GLY N . 16516 1 434 . 1 1 114 114 ILE H H 1 9.988 0.003 . 1 . . . . 146 ILE H . 16516 1 435 . 1 1 114 114 ILE C C 13 176.749 0.101 . 1 . . . . 146 ILE C . 16516 1 436 . 1 1 114 114 ILE CA C 13 59.025 0.125 . 1 . . . . 146 ILE CA . 16516 1 437 . 1 1 114 114 ILE CB C 13 38.346 0.001 . 1 . . . . 146 ILE CB . 16516 1 438 . 1 1 114 114 ILE N N 15 111.473 0.043 . 1 . . . . 146 ILE N . 16516 1 439 . 1 1 115 115 GLY H H 1 9.029 0.005 . 1 . . . . 147 GLY H . 16516 1 440 . 1 1 115 115 GLY C C 13 173.915 0.005 . 1 . . . . 147 GLY C . 16516 1 441 . 1 1 115 115 GLY CA C 13 45.441 0.059 . 1 . . . . 147 GLY CA . 16516 1 442 . 1 1 115 115 GLY N N 15 114.826 0.093 . 1 . . . . 147 GLY N . 16516 1 443 . 1 1 116 116 ASP H H 1 7.489 0.002 . 1 . . . . 148 ASP H . 16516 1 444 . 1 1 116 116 ASP C C 13 175.698 0.043 . 1 . . . . 148 ASP C . 16516 1 445 . 1 1 116 116 ASP CA C 13 52.786 0.184 . 1 . . . . 148 ASP CA . 16516 1 446 . 1 1 116 116 ASP CB C 13 43.595 0.040 . 1 . . . . 148 ASP CB . 16516 1 447 . 1 1 116 116 ASP N N 15 120.033 0.028 . 1 . . . . 148 ASP N . 16516 1 448 . 1 1 117 117 GLU H H 1 8.901 0.011 . 1 . . . . 149 GLU H . 16516 1 449 . 1 1 117 117 GLU C C 13 178.545 0.003 . 1 . . . . 149 GLU C . 16516 1 450 . 1 1 117 117 GLU CA C 13 59.731 0.080 . 1 . . . . 149 GLU CA . 16516 1 451 . 1 1 117 117 GLU CB C 13 28.903 0.106 . 1 . . . . 149 GLU CB . 16516 1 452 . 1 1 117 117 GLU N N 15 127.012 0.120 . 1 . . . . 149 GLU N . 16516 1 453 . 1 1 118 118 GLU H H 1 8.364 0.007 . 1 . . . . 150 GLU H . 16516 1 454 . 1 1 118 118 GLU C C 13 178.068 0.008 . 1 . . . . 150 GLU C . 16516 1 455 . 1 1 118 118 GLU CA C 13 58.298 0.044 . 1 . . . . 150 GLU CA . 16516 1 456 . 1 1 118 118 GLU CB C 13 28.807 0.074 . 1 . . . . 150 GLU CB . 16516 1 457 . 1 1 118 118 GLU N N 15 118.545 0.084 . 1 . . . . 150 GLU N . 16516 1 458 . 1 1 119 119 HIS H H 1 7.467 0.005 . 1 . . . . 151 HIS H . 16516 1 459 . 1 1 119 119 HIS C C 13 176.777 0.008 . 1 . . . . 151 HIS C . 16516 1 460 . 1 1 119 119 HIS CA C 13 56.286 0.087 . 1 . . . . 151 HIS CA . 16516 1 461 . 1 1 119 119 HIS CB C 13 31.916 0.064 . 1 . . . . 151 HIS CB . 16516 1 462 . 1 1 119 119 HIS N N 15 115.078 0.130 . 1 . . . . 151 HIS N . 16516 1 463 . 1 1 120 120 ASP H H 1 7.530 0.008 . 1 . . . . 152 ASP H . 16516 1 464 . 1 1 120 120 ASP CA C 13 54.669 0.025 . 1 . . . . 152 ASP CA . 16516 1 465 . 1 1 120 120 ASP CB C 13 40.702 0.000 . 1 . . . . 152 ASP CB . 16516 1 466 . 1 1 120 120 ASP N N 15 120.583 0.169 . 1 . . . . 152 ASP N . 16516 1 467 . 1 1 124 124 ARG C C 13 176.367 0.000 . 1 . . . . 156 ARG C . 16516 1 468 . 1 1 124 124 ARG CA C 13 58.136 0.062 . 1 . . . . 156 ARG CA . 16516 1 469 . 1 1 124 124 ARG CB C 13 33.269 0.061 . 1 . . . . 156 ARG CB . 16516 1 470 . 1 1 125 125 VAL H H 1 7.587 0.001 . 1 . . . . 157 VAL H . 16516 1 471 . 1 1 125 125 VAL C C 13 176.889 0.016 . 1 . . . . 157 VAL C . 16516 1 472 . 1 1 125 125 VAL CA C 13 61.098 0.030 . 1 . . . . 157 VAL CA . 16516 1 473 . 1 1 125 125 VAL CB C 13 37.637 0.020 . 1 . . . . 157 VAL CB . 16516 1 474 . 1 1 125 125 VAL N N 15 116.326 0.101 . 1 . . . . 157 VAL N . 16516 1 475 . 1 1 126 126 ILE H H 1 8.502 0.006 . 1 . . . . 158 ILE H . 16516 1 476 . 1 1 126 126 ILE C C 13 172.707 0.001 . 1 . . . . 158 ILE C . 16516 1 477 . 1 1 126 126 ILE CA C 13 61.299 0.067 . 1 . . . . 158 ILE CA . 16516 1 478 . 1 1 126 126 ILE CB C 13 41.325 0.008 . 1 . . . . 158 ILE CB . 16516 1 479 . 1 1 126 126 ILE N N 15 129.172 0.048 . 1 . . . . 158 ILE N . 16516 1 480 . 1 1 127 127 VAL H H 1 8.611 0.004 . 1 . . . . 159 VAL H . 16516 1 481 . 1 1 127 127 VAL C C 13 174.166 0.018 . 1 . . . . 159 VAL C . 16516 1 482 . 1 1 127 127 VAL CA C 13 60.434 0.055 . 1 . . . . 159 VAL CA . 16516 1 483 . 1 1 127 127 VAL CB C 13 32.252 0.052 . 1 . . . . 159 VAL CB . 16516 1 484 . 1 1 127 127 VAL N N 15 127.457 0.032 . 1 . . . . 159 VAL N . 16516 1 485 . 1 1 128 128 ALA H H 1 9.779 0.002 . 1 . . . . 160 ALA H . 16516 1 486 . 1 1 128 128 ALA C C 13 173.514 0.022 . 1 . . . . 160 ALA C . 16516 1 487 . 1 1 128 128 ALA CA C 13 49.304 0.062 . 1 . . . . 160 ALA CA . 16516 1 488 . 1 1 128 128 ALA CB C 13 21.322 0.019 . 1 . . . . 160 ALA CB . 16516 1 489 . 1 1 128 128 ALA N N 15 130.320 0.064 . 1 . . . . 160 ALA N . 16516 1 490 . 1 1 129 129 GLU H H 1 8.539 0.001 . 1 . . . . 161 GLU H . 16516 1 491 . 1 1 129 129 GLU C C 13 173.633 0.017 . 1 . . . . 161 GLU C . 16516 1 492 . 1 1 129 129 GLU CA C 13 55.527 0.047 . 1 . . . . 161 GLU CA . 16516 1 493 . 1 1 129 129 GLU CB C 13 29.695 0.043 . 1 . . . . 161 GLU CB . 16516 1 494 . 1 1 129 129 GLU N N 15 124.408 0.043 . 1 . . . . 161 GLU N . 16516 1 495 . 1 1 130 130 PHE H H 1 8.316 0.004 . 1 . . . . 162 PHE H . 16516 1 496 . 1 1 130 130 PHE C C 13 174.843 0.012 . 1 . . . . 162 PHE C . 16516 1 497 . 1 1 130 130 PHE CA C 13 56.746 0.042 . 1 . . . . 162 PHE CA . 16516 1 498 . 1 1 130 130 PHE CB C 13 39.436 0.113 . 1 . . . . 162 PHE CB . 16516 1 499 . 1 1 130 130 PHE N N 15 125.475 0.064 . 1 . . . . 162 PHE N . 16516 1 500 . 1 1 131 131 ASP H H 1 8.821 0.001 . 1 . . . . 163 ASP H . 16516 1 501 . 1 1 131 131 ASP C C 13 178.335 0.007 . 1 . . . . 163 ASP C . 16516 1 502 . 1 1 131 131 ASP CA C 13 58.698 0.050 . 1 . . . . 163 ASP CA . 16516 1 503 . 1 1 131 131 ASP CB C 13 40.022 0.073 . 1 . . . . 163 ASP CB . 16516 1 504 . 1 1 131 131 ASP N N 15 120.935 0.049 . 1 . . . . 163 ASP N . 16516 1 505 . 1 1 132 132 SER H H 1 8.457 0.003 . 1 . . . . 164 SER H . 16516 1 506 . 1 1 132 132 SER C C 13 173.500 0.029 . 1 . . . . 164 SER C . 16516 1 507 . 1 1 132 132 SER CA C 13 57.745 0.068 . 1 . . . . 164 SER CA . 16516 1 508 . 1 1 132 132 SER CB C 13 64.357 0.026 . 1 . . . . 164 SER CB . 16516 1 509 . 1 1 132 132 SER N N 15 108.508 0.028 . 1 . . . . 164 SER N . 16516 1 510 . 1 1 133 133 PHE H H 1 7.071 0.002 . 1 . . . . 165 PHE H . 16516 1 511 . 1 1 133 133 PHE C C 13 171.030 0.008 . 1 . . . . 165 PHE C . 16516 1 512 . 1 1 133 133 PHE CA C 13 55.596 0.074 . 1 . . . . 165 PHE CA . 16516 1 513 . 1 1 133 133 PHE CB C 13 38.928 0.050 . 1 . . . . 165 PHE CB . 16516 1 514 . 1 1 133 133 PHE N N 15 114.913 0.099 . 1 . . . . 165 PHE N . 16516 1 515 . 1 1 134 134 VAL H H 1 9.184 0.002 . 1 . . . . 166 VAL H . 16516 1 516 . 1 1 134 134 VAL C C 13 172.088 0.009 . 1 . . . . 166 VAL C . 16516 1 517 . 1 1 134 134 VAL CA C 13 60.290 0.041 . 1 . . . . 166 VAL CA . 16516 1 518 . 1 1 134 134 VAL CB C 13 33.098 0.020 . 1 . . . . 166 VAL CB . 16516 1 519 . 1 1 134 134 VAL N N 15 120.508 0.057 . 1 . . . . 166 VAL N . 16516 1 520 . 1 1 135 135 LEU H H 1 9.137 0.001 . 1 . . . . 167 LEU H . 16516 1 521 . 1 1 135 135 LEU C C 13 174.282 0.008 . 1 . . . . 167 LEU C . 16516 1 522 . 1 1 135 135 LEU CA C 13 52.295 0.044 . 1 . . . . 167 LEU CA . 16516 1 523 . 1 1 135 135 LEU CB C 13 44.745 0.107 . 1 . . . . 167 LEU CB . 16516 1 524 . 1 1 135 135 LEU N N 15 130.205 0.036 . 1 . . . . 167 LEU N . 16516 1 525 . 1 1 136 136 VAL H H 1 9.543 0.004 . 1 . . . . 168 VAL H . 16516 1 526 . 1 1 136 136 VAL C C 13 175.870 0.012 . 1 . . . . 168 VAL C . 16516 1 527 . 1 1 136 136 VAL CA C 13 59.925 0.156 . 1 . . . . 168 VAL CA . 16516 1 528 . 1 1 136 136 VAL CB C 13 33.532 0.030 . 1 . . . . 168 VAL CB . 16516 1 529 . 1 1 136 136 VAL N N 15 126.891 0.102 . 1 . . . . 168 VAL N . 16516 1 530 . 1 1 137 137 THR H H 1 9.012 0.004 . 1 . . . . 169 THR H . 16516 1 531 . 1 1 137 137 THR C C 13 171.476 0.020 . 1 . . . . 169 THR C . 16516 1 532 . 1 1 137 137 THR CA C 13 58.020 0.049 . 1 . . . . 169 THR CA . 16516 1 533 . 1 1 137 137 THR CB C 13 70.814 0.078 . 1 . . . . 169 THR CB . 16516 1 534 . 1 1 137 137 THR N N 15 121.930 0.128 . 1 . . . . 169 THR N . 16516 1 535 . 1 1 138 138 ALA H H 1 8.232 0.003 . 1 . . . . 170 ALA H . 16516 1 536 . 1 1 138 138 ALA C C 13 174.697 0.036 . 1 . . . . 170 ALA C . 16516 1 537 . 1 1 138 138 ALA CA C 13 49.295 0.070 . 1 . . . . 170 ALA CA . 16516 1 538 . 1 1 138 138 ALA CB C 13 24.755 0.024 . 1 . . . . 170 ALA CB . 16516 1 539 . 1 1 138 138 ALA N N 15 128.056 0.063 . 1 . . . . 170 ALA N . 16516 1 540 . 1 1 139 139 TYR H H 1 8.458 0.003 . 1 . . . . 171 TYR H . 16516 1 541 . 1 1 139 139 TYR C C 13 174.932 0.008 . 1 . . . . 171 TYR C . 16516 1 542 . 1 1 139 139 TYR CA C 13 52.283 0.023 . 1 . . . . 171 TYR CA . 16516 1 543 . 1 1 139 139 TYR CB C 13 38.247 0.090 . 1 . . . . 171 TYR CB . 16516 1 544 . 1 1 139 139 TYR N N 15 120.488 0.126 . 1 . . . . 171 TYR N . 16516 1 545 . 1 1 140 140 VAL H H 1 7.974 0.006 . 1 . . . . 172 VAL H . 16516 1 546 . 1 1 140 140 VAL C C 13 172.794 0.000 . 1 . . . . 172 VAL C . 16516 1 547 . 1 1 140 140 VAL CA C 13 60.605 0.026 . 1 . . . . 172 VAL CA . 16516 1 548 . 1 1 140 140 VAL CB C 13 32.678 0.000 . 1 . . . . 172 VAL CB . 16516 1 549 . 1 1 140 140 VAL N N 15 130.244 0.053 . 1 . . . . 172 VAL N . 16516 1 550 . 1 1 141 141 PRO C C 13 174.655 0.000 . 1 . . . . 173 PRO C . 16516 1 551 . 1 1 141 141 PRO CA C 13 62.516 0.011 . 1 . . . . 173 PRO CA . 16516 1 552 . 1 1 141 141 PRO CB C 13 30.486 0.054 . 1 . . . . 173 PRO CB . 16516 1 553 . 1 1 142 142 ASN H H 1 7.743 0.003 . 1 . . . . 174 ASN H . 16516 1 554 . 1 1 142 142 ASN C C 13 176.285 0.013 . 1 . . . . 174 ASN C . 16516 1 555 . 1 1 142 142 ASN CA C 13 52.774 0.057 . 1 . . . . 174 ASN CA . 16516 1 556 . 1 1 142 142 ASN CB C 13 39.948 0.009 . 1 . . . . 174 ASN CB . 16516 1 557 . 1 1 142 142 ASN N N 15 124.854 0.041 . 1 . . . . 174 ASN N . 16516 1 558 . 1 1 143 143 ALA H H 1 9.442 0.003 . 1 . . . . 175 ALA H . 16516 1 559 . 1 1 143 143 ALA C C 13 176.681 0.012 . 1 . . . . 175 ALA C . 16516 1 560 . 1 1 143 143 ALA CA C 13 54.243 0.026 . 1 . . . . 175 ALA CA . 16516 1 561 . 1 1 143 143 ALA CB C 13 17.904 0.028 . 1 . . . . 175 ALA CB . 16516 1 562 . 1 1 143 143 ALA N N 15 128.160 0.028 . 1 . . . . 175 ALA N . 16516 1 563 . 1 1 144 144 GLY H H 1 8.442 0.003 . 1 . . . . 176 GLY H . 16516 1 564 . 1 1 144 144 GLY C C 13 175.117 0.000 . 1 . . . . 176 GLY C . 16516 1 565 . 1 1 144 144 GLY CA C 13 43.610 0.042 . 1 . . . . 176 GLY CA . 16516 1 566 . 1 1 144 144 GLY N N 15 104.710 0.035 . 1 . . . . 176 GLY N . 16516 1 567 . 1 1 145 145 ARG H H 1 8.659 0.002 . 1 . . . . 177 ARG H . 16516 1 568 . 1 1 145 145 ARG C C 13 179.483 0.000 . 1 . . . . 177 ARG C . 16516 1 569 . 1 1 145 145 ARG CA C 13 57.236 0.010 . 1 . . . . 177 ARG CA . 16516 1 570 . 1 1 145 145 ARG CB C 13 28.397 0.000 . 1 . . . . 177 ARG CB . 16516 1 571 . 1 1 145 145 ARG N N 15 125.005 0.023 . 1 . . . . 177 ARG N . 16516 1 572 . 1 1 146 146 GLY C C 13 173.921 0.000 . 1 . . . . 178 GLY C . 16516 1 573 . 1 1 146 146 GLY CA C 13 46.038 0.028 . 1 . . . . 178 GLY CA . 16516 1 574 . 1 1 147 147 LEU H H 1 8.050 0.002 . 1 . . . . 179 LEU H . 16516 1 575 . 1 1 147 147 LEU C C 13 179.434 0.000 . 1 . . . . 179 LEU C . 16516 1 576 . 1 1 147 147 LEU CA C 13 54.947 0.140 . 1 . . . . 179 LEU CA . 16516 1 577 . 1 1 147 147 LEU CB C 13 37.169 0.030 . 1 . . . . 179 LEU CB . 16516 1 578 . 1 1 147 147 LEU N N 15 112.096 0.032 . 1 . . . . 179 LEU N . 16516 1 579 . 1 1 148 148 VAL H H 1 6.965 0.005 . 1 . . . . 180 VAL H . 16516 1 580 . 1 1 148 148 VAL C C 13 176.784 0.024 . 1 . . . . 180 VAL C . 16516 1 581 . 1 1 148 148 VAL CA C 13 64.067 0.037 . 1 . . . . 180 VAL CA . 16516 1 582 . 1 1 148 148 VAL CB C 13 30.863 0.022 . 1 . . . . 180 VAL CB . 16516 1 583 . 1 1 148 148 VAL N N 15 114.563 0.038 . 1 . . . . 180 VAL N . 16516 1 584 . 1 1 149 149 ARG H H 1 8.552 0.004 . 1 . . . . 181 ARG H . 16516 1 585 . 1 1 149 149 ARG C C 13 177.244 0.110 . 1 . . . . 181 ARG C . 16516 1 586 . 1 1 149 149 ARG CA C 13 54.216 0.039 . 1 . . . . 181 ARG CA . 16516 1 587 . 1 1 149 149 ARG CB C 13 30.246 0.068 . 1 . . . . 181 ARG CB . 16516 1 588 . 1 1 149 149 ARG N N 15 121.672 0.070 . 1 . . . . 181 ARG N . 16516 1 589 . 1 1 150 150 LEU H H 1 7.524 0.002 . 1 . . . . 182 LEU H . 16516 1 590 . 1 1 150 150 LEU C C 13 177.911 0.012 . 1 . . . . 182 LEU C . 16516 1 591 . 1 1 150 150 LEU CA C 13 58.001 0.038 . 1 . . . . 182 LEU CA . 16516 1 592 . 1 1 150 150 LEU CB C 13 41.818 0.020 . 1 . . . . 182 LEU CB . 16516 1 593 . 1 1 150 150 LEU N N 15 123.252 0.067 . 1 . . . . 182 LEU N . 16516 1 594 . 1 1 151 151 GLU H H 1 8.682 0.001 . 1 . . . . 183 GLU H . 16516 1 595 . 1 1 151 151 GLU C C 13 179.608 0.006 . 1 . . . . 183 GLU C . 16516 1 596 . 1 1 151 151 GLU CA C 13 59.899 0.045 . 1 . . . . 183 GLU CA . 16516 1 597 . 1 1 151 151 GLU CB C 13 27.752 0.016 . 1 . . . . 183 GLU CB . 16516 1 598 . 1 1 151 151 GLU N N 15 120.262 0.054 . 1 . . . . 183 GLU N . 16516 1 599 . 1 1 152 152 TYR H H 1 8.071 0.001 . 1 . . . . 184 TYR H . 16516 1 600 . 1 1 152 152 TYR C C 13 176.932 0.033 . 1 . . . . 184 TYR C . 16516 1 601 . 1 1 152 152 TYR CA C 13 61.648 0.085 . 1 . . . . 184 TYR CA . 16516 1 602 . 1 1 152 152 TYR CB C 13 37.192 0.005 . 1 . . . . 184 TYR CB . 16516 1 603 . 1 1 152 152 TYR N N 15 120.752 0.062 . 1 . . . . 184 TYR N . 16516 1 604 . 1 1 153 153 ARG H H 1 8.527 0.002 . 1 . . . . 185 ARG H . 16516 1 605 . 1 1 153 153 ARG C C 13 176.983 0.026 . 1 . . . . 185 ARG C . 16516 1 606 . 1 1 153 153 ARG CA C 13 57.256 0.137 . 1 . . . . 185 ARG CA . 16516 1 607 . 1 1 153 153 ARG CB C 13 27.782 0.019 . 1 . . . . 185 ARG CB . 16516 1 608 . 1 1 153 153 ARG N N 15 121.230 0.060 . 1 . . . . 185 ARG N . 16516 1 609 . 1 1 154 154 GLN H H 1 8.124 0.005 . 1 . . . . 186 GLN H . 16516 1 610 . 1 1 154 154 GLN C C 13 179.147 0.031 . 1 . . . . 186 GLN C . 16516 1 611 . 1 1 154 154 GLN CA C 13 59.404 0.061 . 1 . . . . 186 GLN CA . 16516 1 612 . 1 1 154 154 GLN CB C 13 29.211 0.121 . 1 . . . . 186 GLN CB . 16516 1 613 . 1 1 154 154 GLN N N 15 118.283 0.205 . 1 . . . . 186 GLN N . 16516 1 614 . 1 1 155 155 ARG H H 1 7.376 0.005 . 1 . . . . 187 ARG H . 16516 1 615 . 1 1 155 155 ARG C C 13 179.611 0.032 . 1 . . . . 187 ARG C . 16516 1 616 . 1 1 155 155 ARG CA C 13 59.447 0.052 . 1 . . . . 187 ARG CA . 16516 1 617 . 1 1 155 155 ARG CB C 13 29.107 0.022 . 1 . . . . 187 ARG CB . 16516 1 618 . 1 1 155 155 ARG N N 15 120.895 0.053 . 1 . . . . 187 ARG N . 16516 1 619 . 1 1 156 156 TRP H H 1 8.675 0.010 . 1 . . . . 188 TRP H . 16516 1 620 . 1 1 156 156 TRP C C 13 176.493 0.010 . 1 . . . . 188 TRP C . 16516 1 621 . 1 1 156 156 TRP CA C 13 60.183 0.080 . 1 . . . . 188 TRP CA . 16516 1 622 . 1 1 156 156 TRP CB C 13 25.936 0.027 . 1 . . . . 188 TRP CB . 16516 1 623 . 1 1 156 156 TRP N N 15 122.197 0.178 . 1 . . . . 188 TRP N . 16516 1 624 . 1 1 157 157 ASP H H 1 9.155 0.004 . 1 . . . . 189 ASP H . 16516 1 625 . 1 1 157 157 ASP C C 13 179.621 0.019 . 1 . . . . 189 ASP C . 16516 1 626 . 1 1 157 157 ASP CA C 13 57.566 0.152 . 1 . . . . 189 ASP CA . 16516 1 627 . 1 1 157 157 ASP CB C 13 38.715 0.087 . 1 . . . . 189 ASP CB . 16516 1 628 . 1 1 157 157 ASP N N 15 119.711 0.092 . 1 . . . . 189 ASP N . 16516 1 629 . 1 1 158 158 GLU H H 1 7.156 0.003 . 1 . . . . 190 GLU H . 16516 1 630 . 1 1 158 158 GLU C C 13 177.385 0.008 . 1 . . . . 190 GLU C . 16516 1 631 . 1 1 158 158 GLU CA C 13 59.043 0.063 . 1 . . . . 190 GLU CA . 16516 1 632 . 1 1 158 158 GLU CB C 13 28.855 0.004 . 1 . . . . 190 GLU CB . 16516 1 633 . 1 1 158 158 GLU N N 15 119.204 0.110 . 1 . . . . 190 GLU N . 16516 1 634 . 1 1 159 159 ALA H H 1 7.573 0.004 . 1 . . . . 191 ALA H . 16516 1 635 . 1 1 159 159 ALA C C 13 180.972 0.013 . 1 . . . . 191 ALA C . 16516 1 636 . 1 1 159 159 ALA CA C 13 54.329 0.046 . 1 . . . . 191 ALA CA . 16516 1 637 . 1 1 159 159 ALA CB C 13 17.874 0.027 . 1 . . . . 191 ALA CB . 16516 1 638 . 1 1 159 159 ALA N N 15 122.700 0.051 . 1 . . . . 191 ALA N . 16516 1 639 . 1 1 160 160 PHE H H 1 9.168 0.005 . 1 . . . . 192 PHE H . 16516 1 640 . 1 1 160 160 PHE C C 13 177.043 0.035 . 1 . . . . 192 PHE C . 16516 1 641 . 1 1 160 160 PHE CA C 13 58.051 0.123 . 1 . . . . 192 PHE CA . 16516 1 642 . 1 1 160 160 PHE CB C 13 37.902 0.047 . 1 . . . . 192 PHE CB . 16516 1 643 . 1 1 160 160 PHE N N 15 121.263 0.190 . 1 . . . . 192 PHE N . 16516 1 644 . 1 1 161 161 ARG H H 1 7.770 0.004 . 1 . . . . 193 ARG H . 16516 1 645 . 1 1 161 161 ARG C C 13 177.330 0.035 . 1 . . . . 193 ARG C . 16516 1 646 . 1 1 161 161 ARG CA C 13 59.190 0.080 . 1 . . . . 193 ARG CA . 16516 1 647 . 1 1 161 161 ARG CB C 13 28.827 0.035 . 1 . . . . 193 ARG CB . 16516 1 648 . 1 1 161 161 ARG N N 15 118.341 0.077 . 1 . . . . 193 ARG N . 16516 1 649 . 1 1 162 162 LYS H H 1 7.460 0.007 . 1 . . . . 194 LYS H . 16516 1 650 . 1 1 162 162 LYS C C 13 179.556 0.008 . 1 . . . . 194 LYS C . 16516 1 651 . 1 1 162 162 LYS CA C 13 59.517 0.073 . 1 . . . . 194 LYS CA . 16516 1 652 . 1 1 162 162 LYS CB C 13 31.197 0.117 . 1 . . . . 194 LYS CB . 16516 1 653 . 1 1 162 162 LYS N N 15 119.095 0.074 . 1 . . . . 194 LYS N . 16516 1 654 . 1 1 163 163 PHE H H 1 7.758 0.005 . 1 . . . . 195 PHE H . 16516 1 655 . 1 1 163 163 PHE C C 13 178.029 0.003 . 1 . . . . 195 PHE C . 16516 1 656 . 1 1 163 163 PHE CA C 13 59.515 0.116 . 1 . . . . 195 PHE CA . 16516 1 657 . 1 1 163 163 PHE CB C 13 38.920 0.885 . 1 . . . . 195 PHE CB . 16516 1 658 . 1 1 163 163 PHE N N 15 121.738 0.044 . 1 . . . . 195 PHE N . 16516 1 659 . 1 1 164 164 LEU H H 1 8.156 0.139 . 1 . . . . 196 LEU H . 16516 1 660 . 1 1 164 164 LEU C C 13 178.216 0.027 . 1 . . . . 196 LEU C . 16516 1 661 . 1 1 164 164 LEU CA C 13 56.843 0.086 . 1 . . . . 196 LEU CA . 16516 1 662 . 1 1 164 164 LEU CB C 13 40.873 0.149 . 1 . . . . 196 LEU CB . 16516 1 663 . 1 1 164 164 LEU N N 15 120.671 0.124 . 1 . . . . 196 LEU N . 16516 1 664 . 1 1 165 165 LYS H H 1 8.131 0.002 . 1 . . . . 197 LYS H . 16516 1 665 . 1 1 165 165 LYS C C 13 179.272 0.040 . 1 . . . . 197 LYS C . 16516 1 666 . 1 1 165 165 LYS CA C 13 59.475 0.073 . 1 . . . . 197 LYS CA . 16516 1 667 . 1 1 165 165 LYS CB C 13 31.463 0.106 . 1 . . . . 197 LYS CB . 16516 1 668 . 1 1 165 165 LYS N N 15 118.831 0.123 . 1 . . . . 197 LYS N . 16516 1 669 . 1 1 166 166 GLY H H 1 7.383 0.003 . 1 . . . . 198 GLY H . 16516 1 670 . 1 1 166 166 GLY C C 13 176.889 0.008 . 1 . . . . 198 GLY C . 16516 1 671 . 1 1 166 166 GLY CA C 13 46.462 0.023 . 1 . . . . 198 GLY CA . 16516 1 672 . 1 1 166 166 GLY N N 15 105.129 0.122 . 1 . . . . 198 GLY N . 16516 1 673 . 1 1 167 167 LEU H H 1 7.283 0.002 . 1 . . . . 199 LEU H . 16516 1 674 . 1 1 167 167 LEU C C 13 178.877 0.004 . 1 . . . . 199 LEU C . 16516 1 675 . 1 1 167 167 LEU CA C 13 57.058 0.023 . 1 . . . . 199 LEU CA . 16516 1 676 . 1 1 167 167 LEU CB C 13 41.899 0.018 . 1 . . . . 199 LEU CB . 16516 1 677 . 1 1 167 167 LEU N N 15 123.841 0.035 . 1 . . . . 199 LEU N . 16516 1 678 . 1 1 168 168 ALA H H 1 8.040 0.003 . 1 . . . . 200 ALA H . 16516 1 679 . 1 1 168 168 ALA C C 13 178.222 0.001 . 1 . . . . 200 ALA C . 16516 1 680 . 1 1 168 168 ALA CA C 13 52.272 0.015 . 1 . . . . 200 ALA CA . 16516 1 681 . 1 1 168 168 ALA CB C 13 17.741 0.014 . 1 . . . . 200 ALA CB . 16516 1 682 . 1 1 168 168 ALA N N 15 119.490 0.090 . 1 . . . . 200 ALA N . 16516 1 683 . 1 1 169 169 SER H H 1 7.309 0.001 . 1 . . . . 201 SER H . 16516 1 684 . 1 1 169 169 SER C C 13 174.782 0.000 . 1 . . . . 201 SER C . 16516 1 685 . 1 1 169 169 SER CA C 13 59.845 0.070 . 1 . . . . 201 SER CA . 16516 1 686 . 1 1 169 169 SER CB C 13 62.694 0.066 . 1 . . . . 201 SER CB . 16516 1 687 . 1 1 169 169 SER N N 15 112.105 0.072 . 1 . . . . 201 SER N . 16516 1 688 . 1 1 170 170 ARG H H 1 7.577 0.018 . 1 . . . . 202 ARG H . 16516 1 689 . 1 1 170 170 ARG C C 13 175.850 0.042 . 1 . . . . 202 ARG C . 16516 1 690 . 1 1 170 170 ARG CA C 13 56.638 0.071 . 1 . . . . 202 ARG CA . 16516 1 691 . 1 1 170 170 ARG CB C 13 31.015 0.059 . 1 . . . . 202 ARG CB . 16516 1 692 . 1 1 170 170 ARG N N 15 120.298 0.150 . 1 . . . . 202 ARG N . 16516 1 693 . 1 1 171 171 LYS H H 1 7.621 0.004 . 1 . . . . 203 LYS H . 16516 1 694 . 1 1 171 171 LYS C C 13 171.627 0.000 . 1 . . . . 203 LYS C . 16516 1 695 . 1 1 171 171 LYS CA C 13 54.000 0.059 . 1 . . . . 203 LYS CA . 16516 1 696 . 1 1 171 171 LYS CB C 13 36.529 0.000 . 1 . . . . 203 LYS CB . 16516 1 697 . 1 1 171 171 LYS N N 15 122.028 0.146 . 1 . . . . 203 LYS N . 16516 1 698 . 1 1 172 172 PRO C C 13 174.613 0.010 . 1 . . . . 204 PRO C . 16516 1 699 . 1 1 172 172 PRO CA C 13 62.518 0.006 . 1 . . . . 204 PRO CA . 16516 1 700 . 1 1 172 172 PRO CB C 13 31.851 0.043 . 1 . . . . 204 PRO CB . 16516 1 701 . 1 1 173 173 LEU H H 1 8.689 0.003 . 1 . . . . 205 LEU H . 16516 1 702 . 1 1 173 173 LEU C C 13 175.712 0.014 . 1 . . . . 205 LEU C . 16516 1 703 . 1 1 173 173 LEU CA C 13 53.445 0.030 . 1 . . . . 205 LEU CA . 16516 1 704 . 1 1 173 173 LEU CB C 13 45.560 0.050 . 1 . . . . 205 LEU CB . 16516 1 705 . 1 1 173 173 LEU N N 15 120.846 0.076 . 1 . . . . 205 LEU N . 16516 1 706 . 1 1 174 174 VAL H H 1 8.855 0.001 . 1 . . . . 206 VAL H . 16516 1 707 . 1 1 174 174 VAL C C 13 173.421 0.005 . 1 . . . . 206 VAL C . 16516 1 708 . 1 1 174 174 VAL CA C 13 61.176 0.050 . 1 . . . . 206 VAL CA . 16516 1 709 . 1 1 174 174 VAL CB C 13 33.164 0.014 . 1 . . . . 206 VAL CB . 16516 1 710 . 1 1 174 174 VAL N N 15 122.091 0.076 . 1 . . . . 206 VAL N . 16516 1 711 . 1 1 175 175 LEU H H 1 9.484 0.002 . 1 . . . . 207 LEU H . 16516 1 712 . 1 1 175 175 LEU C C 13 175.120 0.002 . 1 . . . . 207 LEU C . 16516 1 713 . 1 1 175 175 LEU CA C 13 52.000 0.020 . 1 . . . . 207 LEU CA . 16516 1 714 . 1 1 175 175 LEU CB C 13 43.615 0.045 . 1 . . . . 207 LEU CB . 16516 1 715 . 1 1 175 175 LEU N N 15 128.943 0.033 . 1 . . . . 207 LEU N . 16516 1 716 . 1 1 176 176 CYS H H 1 9.603 0.005 . 1 . . . . 208 CYS H . 16516 1 717 . 1 1 176 176 CYS C C 13 172.426 0.004 . 1 . . . . 208 CYS C . 16516 1 718 . 1 1 176 176 CYS CA C 13 53.034 0.029 . 1 . . . . 208 CYS CA . 16516 1 719 . 1 1 176 176 CYS CB C 13 34.786 0.017 . 1 . . . . 208 CYS CB . 16516 1 720 . 1 1 176 176 CYS N N 15 121.896 0.045 . 1 . . . . 208 CYS N . 16516 1 721 . 1 1 177 177 GLY H H 1 7.488 0.002 . 1 . . . . 209 GLY H . 16516 1 722 . 1 1 177 177 GLY C C 13 171.704 0.000 . 1 . . . . 209 GLY C . 16516 1 723 . 1 1 177 177 GLY CA C 13 43.805 0.000 . 1 . . . . 209 GLY CA . 16516 1 724 . 1 1 177 177 GLY N N 15 106.771 0.045 . 1 . . . . 209 GLY N . 16516 1 725 . 1 1 178 178 ASP C C 13 175.858 0.000 . 1 . . . . 210 ASP C . 16516 1 726 . 1 1 178 178 ASP CA C 13 52.021 0.029 . 1 . . . . 210 ASP CA . 16516 1 727 . 1 1 178 178 ASP CB C 13 39.443 0.006 . 1 . . . . 210 ASP CB . 16516 1 728 . 1 1 179 179 LEU H H 1 8.726 0.002 . 1 . . . . 211 LEU H . 16516 1 729 . 1 1 179 179 LEU C C 13 176.991 0.025 . 1 . . . . 211 LEU C . 16516 1 730 . 1 1 179 179 LEU CA C 13 52.631 0.048 . 1 . . . . 211 LEU CA . 16516 1 731 . 1 1 179 179 LEU CB C 13 37.177 0.023 . 1 . . . . 211 LEU CB . 16516 1 732 . 1 1 179 179 LEU N N 15 122.627 0.057 . 1 . . . . 211 LEU N . 16516 1 733 . 1 1 180 180 ASN H H 1 9.105 0.007 . 1 . . . . 212 ASN H . 16516 1 734 . 1 1 180 180 ASN C C 13 172.471 0.007 . 1 . . . . 212 ASN C . 16516 1 735 . 1 1 180 180 ASN CA C 13 55.322 0.044 . 1 . . . . 212 ASN CA . 16516 1 736 . 1 1 180 180 ASN CB C 13 38.224 0.028 . 1 . . . . 212 ASN CB . 16516 1 737 . 1 1 180 180 ASN N N 15 117.391 0.140 . 1 . . . . 212 ASN N . 16516 1 738 . 1 1 181 181 VAL H H 1 6.690 0.002 . 1 . . . . 213 VAL H . 16516 1 739 . 1 1 181 181 VAL C C 13 171.820 0.001 . 1 . . . . 213 VAL C . 16516 1 740 . 1 1 181 181 VAL CA C 13 59.309 0.020 . 1 . . . . 213 VAL CA . 16516 1 741 . 1 1 181 181 VAL CB C 13 32.994 0.013 . 1 . . . . 213 VAL CB . 16516 1 742 . 1 1 181 181 VAL N N 15 108.421 0.050 . 1 . . . . 213 VAL N . 16516 1 743 . 1 1 182 182 ALA H H 1 8.934 0.001 . 1 . . . . 214 ALA H . 16516 1 744 . 1 1 182 182 ALA C C 13 174.675 0.003 . 1 . . . . 214 ALA C . 16516 1 745 . 1 1 182 182 ALA CA C 13 49.473 0.036 . 1 . . . . 214 ALA CA . 16516 1 746 . 1 1 182 182 ALA CB C 13 19.702 0.036 . 1 . . . . 214 ALA CB . 16516 1 747 . 1 1 182 182 ALA N N 15 133.117 0.100 . 1 . . . . 214 ALA N . 16516 1 748 . 1 1 183 183 HIS H H 1 6.841 0.001 . 1 . . . . 215 HIS H . 16516 1 749 . 1 1 183 183 HIS C C 13 175.294 0.011 . 1 . . . . 215 HIS C . 16516 1 750 . 1 1 183 183 HIS CA C 13 58.816 0.050 . 1 . . . . 215 HIS CA . 16516 1 751 . 1 1 183 183 HIS CB C 13 30.871 0.027 . 1 . . . . 215 HIS CB . 16516 1 752 . 1 1 183 183 HIS N N 15 120.308 0.036 . 1 . . . . 215 HIS N . 16516 1 753 . 1 1 184 184 GLU H H 1 9.813 0.002 . 1 . . . . 216 GLU H . 16516 1 754 . 1 1 184 184 GLU C C 13 177.406 0.018 . 1 . . . . 216 GLU C . 16516 1 755 . 1 1 184 184 GLU CA C 13 53.475 0.016 . 1 . . . . 216 GLU CA . 16516 1 756 . 1 1 184 184 GLU CB C 13 37.802 9.042 . 1 . . . . 216 GLU CB . 16516 1 757 . 1 1 184 184 GLU N N 15 117.144 0.050 . 1 . . . . 216 GLU N . 16516 1 758 . 1 1 185 185 GLU H H 1 8.995 0.001 . 1 . . . . 217 GLU H . 16516 1 759 . 1 1 185 185 GLU C C 13 177.555 0.022 . 1 . . . . 217 GLU C . 16516 1 760 . 1 1 185 185 GLU CA C 13 60.347 0.073 . 1 . . . . 217 GLU CA . 16516 1 761 . 1 1 185 185 GLU CB C 13 27.943 0.026 . 1 . . . . 217 GLU CB . 16516 1 762 . 1 1 185 185 GLU N N 15 120.292 0.044 . 1 . . . . 217 GLU N . 16516 1 763 . 1 1 186 186 ILE H H 1 7.628 0.002 . 1 . . . . 218 ILE H . 16516 1 764 . 1 1 186 186 ILE C C 13 177.033 0.011 . 1 . . . . 218 ILE C . 16516 1 765 . 1 1 186 186 ILE CA C 13 62.421 0.054 . 1 . . . . 218 ILE CA . 16516 1 766 . 1 1 186 186 ILE CB C 13 38.260 0.006 . 1 . . . . 218 ILE CB . 16516 1 767 . 1 1 186 186 ILE N N 15 112.326 0.072 . 1 . . . . 218 ILE N . 16516 1 768 . 1 1 187 187 ASP H H 1 8.330 0.003 . 1 . . . . 219 ASP H . 16516 1 769 . 1 1 187 187 ASP C C 13 171.438 0.003 . 1 . . . . 219 ASP C . 16516 1 770 . 1 1 187 187 ASP CA C 13 55.841 0.055 . 1 . . . . 219 ASP CA . 16516 1 771 . 1 1 187 187 ASP CB C 13 41.794 0.078 . 1 . . . . 219 ASP CB . 16516 1 772 . 1 1 187 187 ASP N N 15 122.857 0.060 . 1 . . . . 219 ASP N . 16516 1 773 . 1 1 188 188 LEU H H 1 7.572 0.001 . 1 . . . . 220 LEU H . 16516 1 774 . 1 1 188 188 LEU C C 13 173.235 0.002 . 1 . . . . 220 LEU C . 16516 1 775 . 1 1 188 188 LEU CA C 13 55.813 0.066 . 1 . . . . 220 LEU CA . 16516 1 776 . 1 1 188 188 LEU CB C 13 40.709 0.013 . 1 . . . . 220 LEU CB . 16516 1 777 . 1 1 188 188 LEU N N 15 119.829 0.035 . 1 . . . . 220 LEU N . 16516 1 778 . 1 1 189 189 ARG H H 1 6.998 0.002 . 1 . . . . 221 ARG H . 16516 1 779 . 1 1 189 189 ARG C C 13 176.616 0.102 . 1 . . . . 221 ARG C . 16516 1 780 . 1 1 189 189 ARG CA C 13 55.840 0.005 . 1 . . . . 221 ARG CA . 16516 1 781 . 1 1 189 189 ARG CB C 13 29.474 0.000 . 1 . . . . 221 ARG CB . 16516 1 782 . 1 1 189 189 ARG N N 15 118.813 0.053 . 1 . . . . 221 ARG N . 16516 1 783 . 1 1 190 190 ASN H H 1 8.218 0.002 . 1 . . . . 222 ASN H . 16516 1 784 . 1 1 190 190 ASN N N 15 110.239 0.049 . 1 . . . . 222 ASN N . 16516 1 785 . 1 1 191 191 PRO C C 13 179.243 0.000 . 1 . . . . 223 PRO C . 16516 1 786 . 1 1 191 191 PRO CA C 13 64.637 0.070 . 1 . . . . 223 PRO CA . 16516 1 787 . 1 1 191 191 PRO CB C 13 31.174 0.000 . 1 . . . . 223 PRO CB . 16516 1 788 . 1 1 192 192 LYS H H 1 8.008 0.002 . 1 . . . . 224 LYS H . 16516 1 789 . 1 1 192 192 LYS C C 13 179.270 0.019 . 1 . . . . 224 LYS C . 16516 1 790 . 1 1 192 192 LYS CA C 13 59.230 0.045 . 1 . . . . 224 LYS CA . 16516 1 791 . 1 1 192 192 LYS CB C 13 30.907 0.016 . 1 . . . . 224 LYS CB . 16516 1 792 . 1 1 192 192 LYS N N 15 115.566 0.039 . 1 . . . . 224 LYS N . 16516 1 793 . 1 1 193 193 GLY H H 1 7.389 0.004 . 1 . . . . 225 GLY H . 16516 1 794 . 1 1 193 193 GLY C C 13 175.186 0.011 . 1 . . . . 225 GLY C . 16516 1 795 . 1 1 193 193 GLY CA C 13 44.939 0.041 . 1 . . . . 225 GLY CA . 16516 1 796 . 1 1 193 193 GLY N N 15 104.099 0.079 . 1 . . . . 225 GLY N . 16516 1 797 . 1 1 194 194 ASN H H 1 7.242 0.001 . 1 . . . . 226 ASN H . 16516 1 798 . 1 1 194 194 ASN C C 13 174.456 0.003 . 1 . . . . 226 ASN C . 16516 1 799 . 1 1 194 194 ASN CA C 13 53.965 0.033 . 1 . . . . 226 ASN CA . 16516 1 800 . 1 1 194 194 ASN CB C 13 41.245 0.029 . 1 . . . . 226 ASN CB . 16516 1 801 . 1 1 194 194 ASN N N 15 118.051 0.027 . 1 . . . . 226 ASN N . 16516 1 802 . 1 1 195 195 LYS H H 1 7.426 0.003 . 1 . . . . 227 LYS H . 16516 1 803 . 1 1 195 195 LYS C C 13 176.007 0.002 . 1 . . . . 227 LYS C . 16516 1 804 . 1 1 195 195 LYS CA C 13 58.959 0.040 . 1 . . . . 227 LYS CA . 16516 1 805 . 1 1 195 195 LYS CB C 13 31.783 0.094 . 1 . . . . 227 LYS CB . 16516 1 806 . 1 1 195 195 LYS N N 15 118.601 0.042 . 1 . . . . 227 LYS N . 16516 1 807 . 1 1 196 196 LYS H H 1 8.029 0.005 . 1 . . . . 228 LYS H . 16516 1 808 . 1 1 196 196 LYS C C 13 174.198 0.014 . 1 . . . . 228 LYS C . 16516 1 809 . 1 1 196 196 LYS CA C 13 54.023 0.047 . 1 . . . . 228 LYS CA . 16516 1 810 . 1 1 196 196 LYS CB C 13 31.390 0.022 . 1 . . . . 228 LYS CB . 16516 1 811 . 1 1 196 196 LYS N N 15 116.113 0.048 . 1 . . . . 228 LYS N . 16516 1 812 . 1 1 197 197 ASN H H 1 7.584 0.003 . 1 . . . . 229 ASN H . 16516 1 813 . 1 1 197 197 ASN C C 13 173.292 0.011 . 1 . . . . 229 ASN C . 16516 1 814 . 1 1 197 197 ASN CA C 13 50.789 0.029 . 1 . . . . 229 ASN CA . 16516 1 815 . 1 1 197 197 ASN CB C 13 41.155 0.054 . 1 . . . . 229 ASN CB . 16516 1 816 . 1 1 197 197 ASN N N 15 117.889 0.084 . 1 . . . . 229 ASN N . 16516 1 817 . 1 1 198 198 ALA H H 1 8.293 0.008 . 1 . . . . 230 ALA H . 16516 1 818 . 1 1 198 198 ALA C C 13 176.719 0.038 . 1 . . . . 230 ALA C . 16516 1 819 . 1 1 198 198 ALA CA C 13 53.242 0.066 . 1 . . . . 230 ALA CA . 16516 1 820 . 1 1 198 198 ALA CB C 13 17.746 0.027 . 1 . . . . 230 ALA CB . 16516 1 821 . 1 1 198 198 ALA N N 15 122.308 0.059 . 1 . . . . 230 ALA N . 16516 1 822 . 1 1 199 199 GLY H H 1 6.230 0.002 . 1 . . . . 231 GLY H . 16516 1 823 . 1 1 199 199 GLY C C 13 174.964 0.006 . 1 . . . . 231 GLY C . 16516 1 824 . 1 1 199 199 GLY CA C 13 44.606 0.069 . 1 . . . . 231 GLY CA . 16516 1 825 . 1 1 199 199 GLY N N 15 118.300 0.056 . 1 . . . . 231 GLY N . 16516 1 826 . 1 1 200 200 PHE H H 1 8.758 0.001 . 1 . . . . 232 PHE H . 16516 1 827 . 1 1 200 200 PHE C C 13 175.443 0.050 . 1 . . . . 232 PHE C . 16516 1 828 . 1 1 200 200 PHE CA C 13 56.889 0.091 . 1 . . . . 232 PHE CA . 16516 1 829 . 1 1 200 200 PHE CB C 13 40.018 0.047 . 1 . . . . 232 PHE CB . 16516 1 830 . 1 1 200 200 PHE N N 15 121.812 0.037 . 1 . . . . 232 PHE N . 16516 1 831 . 1 1 201 201 THR H H 1 7.505 0.005 . 1 . . . . 233 THR H . 16516 1 832 . 1 1 201 201 THR C C 13 174.719 0.000 . 1 . . . . 233 THR C . 16516 1 833 . 1 1 201 201 THR CA C 13 60.465 0.016 . 1 . . . . 233 THR CA . 16516 1 834 . 1 1 201 201 THR CB C 13 68.767 0.000 . 1 . . . . 233 THR CB . 16516 1 835 . 1 1 201 201 THR N N 15 110.500 0.034 . 1 . . . . 233 THR N . 16516 1 836 . 1 1 202 202 PRO C C 13 179.827 0.000 . 1 . . . . 234 PRO C . 16516 1 837 . 1 1 202 202 PRO CA C 13 64.716 0.038 . 1 . . . . 234 PRO CA . 16516 1 838 . 1 1 202 202 PRO CB C 13 30.686 0.026 . 1 . . . . 234 PRO CB . 16516 1 839 . 1 1 203 203 GLN H H 1 8.860 0.002 . 1 . . . . 235 GLN H . 16516 1 840 . 1 1 203 203 GLN C C 13 180.581 0.009 . 1 . . . . 235 GLN C . 16516 1 841 . 1 1 203 203 GLN CA C 13 60.189 0.048 . 1 . . . . 235 GLN CA . 16516 1 842 . 1 1 203 203 GLN CB C 13 26.698 0.089 . 1 . . . . 235 GLN CB . 16516 1 843 . 1 1 203 203 GLN N N 15 115.962 0.046 . 1 . . . . 235 GLN N . 16516 1 844 . 1 1 204 204 GLU H H 1 8.267 0.004 . 1 . . . . 236 GLU H . 16516 1 845 . 1 1 204 204 GLU C C 13 180.565 0.002 . 1 . . . . 236 GLU C . 16516 1 846 . 1 1 204 204 GLU CA C 13 59.370 0.062 . 1 . . . . 236 GLU CA . 16516 1 847 . 1 1 204 204 GLU CB C 13 31.204 0.157 . 1 . . . . 236 GLU CB . 16516 1 848 . 1 1 204 204 GLU N N 15 122.009 0.089 . 1 . . . . 236 GLU N . 16516 1 849 . 1 1 205 205 ARG H H 1 8.487 0.006 . 1 . . . . 237 ARG H . 16516 1 850 . 1 1 205 205 ARG C C 13 179.465 0.009 . 1 . . . . 237 ARG C . 16516 1 851 . 1 1 205 205 ARG CA C 13 60.408 0.042 . 1 . . . . 237 ARG CA . 16516 1 852 . 1 1 205 205 ARG CB C 13 30.813 0.017 . 1 . . . . 237 ARG CB . 16516 1 853 . 1 1 205 205 ARG N N 15 122.055 0.104 . 1 . . . . 237 ARG N . 16516 1 854 . 1 1 206 206 GLN H H 1 8.741 0.002 . 1 . . . . 238 GLN H . 16516 1 855 . 1 1 206 206 GLN C C 13 179.489 0.021 . 1 . . . . 238 GLN C . 16516 1 856 . 1 1 206 206 GLN CA C 13 58.302 0.023 . 1 . . . . 238 GLN CA . 16516 1 857 . 1 1 206 206 GLN CB C 13 27.037 0.025 . 1 . . . . 238 GLN CB . 16516 1 858 . 1 1 206 206 GLN N N 15 121.021 0.067 . 1 . . . . 238 GLN N . 16516 1 859 . 1 1 207 207 GLY H H 1 7.951 0.003 . 1 . . . . 239 GLY H . 16516 1 860 . 1 1 207 207 GLY C C 13 176.354 0.007 . 1 . . . . 239 GLY C . 16516 1 861 . 1 1 207 207 GLY CA C 13 46.523 0.024 . 1 . . . . 239 GLY CA . 16516 1 862 . 1 1 207 207 GLY N N 15 107.023 0.045 . 1 . . . . 239 GLY N . 16516 1 863 . 1 1 208 208 PHE H H 1 7.897 0.001 . 1 . . . . 240 PHE H . 16516 1 864 . 1 1 208 208 PHE C C 13 177.037 0.006 . 1 . . . . 240 PHE C . 16516 1 865 . 1 1 208 208 PHE CA C 13 61.117 0.052 . 1 . . . . 240 PHE CA . 16516 1 866 . 1 1 208 208 PHE CB C 13 38.711 0.025 . 1 . . . . 240 PHE CB . 16516 1 867 . 1 1 208 208 PHE N N 15 126.121 0.034 . 1 . . . . 240 PHE N . 16516 1 868 . 1 1 209 209 GLY H H 1 8.204 0.003 . 1 . . . . 241 GLY H . 16516 1 869 . 1 1 209 209 GLY C C 13 177.245 0.015 . 1 . . . . 241 GLY C . 16516 1 870 . 1 1 209 209 GLY CA C 13 47.198 0.042 . 1 . . . . 241 GLY CA . 16516 1 871 . 1 1 209 209 GLY N N 15 105.423 0.041 . 1 . . . . 241 GLY N . 16516 1 872 . 1 1 210 210 GLU H H 1 8.239 0.003 . 1 . . . . 242 GLU H . 16516 1 873 . 1 1 210 210 GLU C C 13 178.404 0.058 . 1 . . . . 242 GLU C . 16516 1 874 . 1 1 210 210 GLU CA C 13 58.575 0.063 . 1 . . . . 242 GLU CA . 16516 1 875 . 1 1 210 210 GLU CB C 13 28.442 0.047 . 1 . . . . 242 GLU CB . 16516 1 876 . 1 1 210 210 GLU N N 15 121.117 0.028 . 1 . . . . 242 GLU N . 16516 1 877 . 1 1 211 211 LEU H H 1 7.606 0.003 . 1 . . . . 243 LEU H . 16516 1 878 . 1 1 211 211 LEU C C 13 177.430 0.016 . 1 . . . . 243 LEU C . 16516 1 879 . 1 1 211 211 LEU CA C 13 58.630 0.076 . 1 . . . . 243 LEU CA . 16516 1 880 . 1 1 211 211 LEU CB C 13 39.607 0.045 . 1 . . . . 243 LEU CB . 16516 1 881 . 1 1 211 211 LEU N N 15 123.281 0.042 . 1 . . . . 243 LEU N . 16516 1 882 . 1 1 212 212 LEU H H 1 7.444 0.002 . 1 . . . . 244 LEU H . 16516 1 883 . 1 1 212 212 LEU C C 13 180.524 0.004 . 1 . . . . 244 LEU C . 16516 1 884 . 1 1 212 212 LEU CA C 13 57.047 0.059 . 1 . . . . 244 LEU CA . 16516 1 885 . 1 1 212 212 LEU CB C 13 39.566 0.013 . 1 . . . . 244 LEU CB . 16516 1 886 . 1 1 212 212 LEU N N 15 113.807 0.063 . 1 . . . . 244 LEU N . 16516 1 887 . 1 1 213 213 GLN H H 1 7.602 0.008 . 1 . . . . 245 GLN H . 16516 1 888 . 1 1 213 213 GLN C C 13 177.811 0.006 . 1 . . . . 245 GLN C . 16516 1 889 . 1 1 213 213 GLN CA C 13 57.290 0.060 . 1 . . . . 245 GLN CA . 16516 1 890 . 1 1 213 213 GLN CB C 13 28.802 0.033 . 1 . . . . 245 GLN CB . 16516 1 891 . 1 1 213 213 GLN N N 15 114.729 0.052 . 1 . . . . 245 GLN N . 16516 1 892 . 1 1 214 214 ALA H H 1 8.512 0.003 . 1 . . . . 246 ALA H . 16516 1 893 . 1 1 214 214 ALA C C 13 179.139 0.009 . 1 . . . . 246 ALA C . 16516 1 894 . 1 1 214 214 ALA CA C 13 53.800 0.056 . 1 . . . . 246 ALA CA . 16516 1 895 . 1 1 214 214 ALA CB C 13 19.273 0.051 . 1 . . . . 246 ALA CB . 16516 1 896 . 1 1 214 214 ALA N N 15 119.224 0.061 . 1 . . . . 246 ALA N . 16516 1 897 . 1 1 215 215 VAL H H 1 6.803 0.003 . 1 . . . . 247 VAL H . 16516 1 898 . 1 1 215 215 VAL C C 13 173.548 0.000 . 1 . . . . 247 VAL C . 16516 1 899 . 1 1 215 215 VAL CA C 13 68.847 0.000 . 1 . . . . 247 VAL CA . 16516 1 900 . 1 1 215 215 VAL CB C 13 29.839 0.000 . 1 . . . . 247 VAL CB . 16516 1 901 . 1 1 215 215 VAL N N 15 114.371 0.066 . 1 . . . . 247 VAL N . 16516 1 902 . 1 1 216 216 PRO C C 13 176.342 0.008 . 1 . . . . 248 PRO C . 16516 1 903 . 1 1 216 216 PRO CA C 13 61.181 0.034 . 1 . . . . 248 PRO CA . 16516 1 904 . 1 1 216 216 PRO CB C 13 34.370 0.008 . 1 . . . . 248 PRO CB . 16516 1 905 . 1 1 217 217 LEU H H 1 9.229 0.002 . 1 . . . . 249 LEU H . 16516 1 906 . 1 1 217 217 LEU C C 13 174.429 0.029 . 1 . . . . 249 LEU C . 16516 1 907 . 1 1 217 217 LEU CA C 13 52.895 0.076 . 1 . . . . 249 LEU CA . 16516 1 908 . 1 1 217 217 LEU CB C 13 48.039 0.035 . 1 . . . . 249 LEU CB . 16516 1 909 . 1 1 217 217 LEU N N 15 117.817 0.108 . 1 . . . . 249 LEU N . 16516 1 910 . 1 1 218 218 ALA H H 1 9.036 0.002 . 1 . . . . 250 ALA H . 16516 1 911 . 1 1 218 218 ALA C C 13 177.045 0.016 . 1 . . . . 250 ALA C . 16516 1 912 . 1 1 218 218 ALA CA C 13 49.405 0.050 . 1 . . . . 250 ALA CA . 16516 1 913 . 1 1 218 218 ALA CB C 13 21.014 0.068 . 1 . . . . 250 ALA CB . 16516 1 914 . 1 1 218 218 ALA N N 15 120.264 0.059 . 1 . . . . 250 ALA N . 16516 1 915 . 1 1 219 219 ASP H H 1 9.165 0.001 . 1 . . . . 251 ASP H . 16516 1 916 . 1 1 219 219 ASP C C 13 176.918 0.066 . 1 . . . . 251 ASP C . 16516 1 917 . 1 1 219 219 ASP CA C 13 52.764 0.082 . 1 . . . . 251 ASP CA . 16516 1 918 . 1 1 219 219 ASP CB C 13 40.094 0.036 . 1 . . . . 251 ASP CB . 16516 1 919 . 1 1 219 219 ASP N N 15 121.803 0.076 . 1 . . . . 251 ASP N . 16516 1 920 . 1 1 220 220 SER H H 1 8.601 0.005 . 1 . . . . 252 SER H . 16516 1 921 . 1 1 220 220 SER C C 13 173.967 0.000 . 1 . . . . 252 SER C . 16516 1 922 . 1 1 220 220 SER CA C 13 62.240 0.046 . 1 . . . . 252 SER CA . 16516 1 923 . 1 1 220 220 SER CB C 13 63.570 0.089 . 1 . . . . 252 SER CB . 16516 1 924 . 1 1 220 220 SER N N 15 123.132 0.045 . 1 . . . . 252 SER N . 16516 1 925 . 1 1 221 221 PHE H H 1 8.023 0.003 . 1 . . . . 253 PHE H . 16516 1 926 . 1 1 221 221 PHE C C 13 176.616 0.005 . 1 . . . . 253 PHE C . 16516 1 927 . 1 1 221 221 PHE CA C 13 62.616 0.069 . 1 . . . . 253 PHE CA . 16516 1 928 . 1 1 221 221 PHE CB C 13 39.904 0.019 . 1 . . . . 253 PHE CB . 16516 1 929 . 1 1 221 221 PHE N N 15 122.298 0.089 . 1 . . . . 253 PHE N . 16516 1 930 . 1 1 222 222 ARG H H 1 7.010 0.001 . 1 . . . . 254 ARG H . 16516 1 931 . 1 1 222 222 ARG C C 13 177.270 0.006 . 1 . . . . 254 ARG C . 16516 1 932 . 1 1 222 222 ARG CA C 13 54.065 0.036 . 1 . . . . 254 ARG CA . 16516 1 933 . 1 1 222 222 ARG CB C 13 28.046 0.075 . 1 . . . . 254 ARG CB . 16516 1 934 . 1 1 222 222 ARG N N 15 116.604 0.050 . 1 . . . . 254 ARG N . 16516 1 935 . 1 1 223 223 HIS H H 1 8.558 0.002 . 1 . . . . 255 HIS H . 16516 1 936 . 1 1 223 223 HIS C C 13 176.886 0.018 . 1 . . . . 255 HIS C . 16516 1 937 . 1 1 223 223 HIS CA C 13 59.306 0.014 . 1 . . . . 255 HIS CA . 16516 1 938 . 1 1 223 223 HIS CB C 13 30.030 0.009 . 1 . . . . 255 HIS CB . 16516 1 939 . 1 1 223 223 HIS N N 15 118.782 0.049 . 1 . . . . 255 HIS N . 16516 1 940 . 1 1 224 224 LEU H H 1 6.661 0.001 . 1 . . . . 256 LEU H . 16516 1 941 . 1 1 224 224 LEU C C 13 177.015 0.015 . 1 . . . . 256 LEU C . 16516 1 942 . 1 1 224 224 LEU CA C 13 55.452 0.074 . 1 . . . . 256 LEU CA . 16516 1 943 . 1 1 224 224 LEU CB C 13 42.534 0.027 . 1 . . . . 256 LEU CB . 16516 1 944 . 1 1 224 224 LEU N N 15 115.895 0.041 . 1 . . . . 256 LEU N . 16516 1 945 . 1 1 225 225 TYR H H 1 7.960 0.002 . 1 . . . . 257 TYR H . 16516 1 946 . 1 1 225 225 TYR C C 13 174.325 0.000 . 1 . . . . 257 TYR C . 16516 1 947 . 1 1 225 225 TYR CA C 13 54.201 0.026 . 1 . . . . 257 TYR CA . 16516 1 948 . 1 1 225 225 TYR CB C 13 34.958 0.000 . 1 . . . . 257 TYR CB . 16516 1 949 . 1 1 225 225 TYR N N 15 118.035 0.028 . 1 . . . . 257 TYR N . 16516 1 950 . 1 1 226 226 PRO C C 13 177.441 0.000 . 1 . . . . 258 PRO C . 16516 1 951 . 1 1 226 226 PRO CA C 13 64.740 0.067 . 1 . . . . 258 PRO CA . 16516 1 952 . 1 1 226 226 PRO CB C 13 31.428 0.052 . 1 . . . . 258 PRO CB . 16516 1 953 . 1 1 227 227 ASN H H 1 8.417 0.002 . 1 . . . . 259 ASN H . 16516 1 954 . 1 1 227 227 ASN C C 13 175.353 0.029 . 1 . . . . 259 ASN C . 16516 1 955 . 1 1 227 227 ASN CA C 13 51.534 0.070 . 1 . . . . 259 ASN CA . 16516 1 956 . 1 1 227 227 ASN CB C 13 39.450 0.015 . 1 . . . . 259 ASN CB . 16516 1 957 . 1 1 227 227 ASN N N 15 112.775 0.046 . 1 . . . . 259 ASN N . 16516 1 958 . 1 1 228 228 THR H H 1 6.665 0.001 . 1 . . . . 260 THR H . 16516 1 959 . 1 1 228 228 THR C C 13 171.457 0.000 . 1 . . . . 260 THR C . 16516 1 960 . 1 1 228 228 THR CA C 13 61.588 0.042 . 1 . . . . 260 THR CA . 16516 1 961 . 1 1 228 228 THR CB C 13 70.220 0.000 . 1 . . . . 260 THR CB . 16516 1 962 . 1 1 228 228 THR N N 15 118.838 0.042 . 1 . . . . 260 THR N . 16516 1 963 . 1 1 229 229 PRO C C 13 175.202 0.000 . 1 . . . . 261 PRO C . 16516 1 964 . 1 1 229 229 PRO CA C 13 60.805 0.034 . 1 . . . . 261 PRO CA . 16516 1 965 . 1 1 229 229 PRO CB C 13 31.187 0.026 . 1 . . . . 261 PRO CB . 16516 1 966 . 1 1 230 230 TYR H H 1 8.335 0.002 . 1 . . . . 262 TYR H . 16516 1 967 . 1 1 230 230 TYR C C 13 171.549 0.000 . 1 . . . . 262 TYR C . 16516 1 968 . 1 1 230 230 TYR CA C 13 55.903 0.035 . 1 . . . . 262 TYR CA . 16516 1 969 . 1 1 230 230 TYR CB C 13 34.084 0.012 . 1 . . . . 262 TYR CB . 16516 1 970 . 1 1 230 230 TYR N N 15 108.785 0.057 . 1 . . . . 262 TYR N . 16516 1 971 . 1 1 231 231 ALA H H 1 7.055 0.001 . 1 . . . . 263 ALA H . 16516 1 972 . 1 1 231 231 ALA C C 13 173.079 0.001 . 1 . . . . 263 ALA C . 16516 1 973 . 1 1 231 231 ALA CA C 13 50.203 0.026 . 1 . . . . 263 ALA CA . 16516 1 974 . 1 1 231 231 ALA CB C 13 17.726 0.015 . 1 . . . . 263 ALA CB . 16516 1 975 . 1 1 231 231 ALA N N 15 123.709 0.019 . 1 . . . . 263 ALA N . 16516 1 976 . 1 1 232 232 TYR H H 1 6.785 0.001 . 1 . . . . 264 TYR H . 16516 1 977 . 1 1 232 232 TYR C C 13 172.013 0.030 . 1 . . . . 264 TYR C . 16516 1 978 . 1 1 232 232 TYR CA C 13 52.732 0.068 . 1 . . . . 264 TYR CA . 16516 1 979 . 1 1 232 232 TYR CB C 13 39.931 0.062 . 1 . . . . 264 TYR CB . 16516 1 980 . 1 1 232 232 TYR N N 15 122.198 0.054 . 1 . . . . 264 TYR N . 16516 1 981 . 1 1 233 233 THR H H 1 7.899 0.002 . 1 . . . . 265 THR H . 16516 1 982 . 1 1 233 233 THR C C 13 171.874 0.086 . 1 . . . . 265 THR C . 16516 1 983 . 1 1 233 233 THR CA C 13 60.479 0.045 . 1 . . . . 265 THR CA . 16516 1 984 . 1 1 233 233 THR CB C 13 68.772 0.043 . 1 . . . . 265 THR CB . 16516 1 985 . 1 1 233 233 THR N N 15 106.582 0.055 . 1 . . . . 265 THR N . 16516 1 986 . 1 1 234 234 PHE H H 1 7.050 0.007 . 1 . . . . 266 PHE H . 16516 1 987 . 1 1 234 234 PHE C C 13 171.736 0.000 . 1 . . . . 266 PHE C . 16516 1 988 . 1 1 234 234 PHE CA C 13 55.478 0.039 . 1 . . . . 266 PHE CA . 16516 1 989 . 1 1 234 234 PHE CB C 13 41.520 0.069 . 1 . . . . 266 PHE CB . 16516 1 990 . 1 1 234 234 PHE N N 15 121.041 0.116 . 1 . . . . 266 PHE N . 16516 1 991 . 1 1 235 235 TRP H H 1 7.517 0.005 . 1 . . . . 267 TRP H . 16516 1 992 . 1 1 235 235 TRP C C 13 174.434 0.000 . 1 . . . . 267 TRP C . 16516 1 993 . 1 1 235 235 TRP CA C 13 55.284 0.015 . 1 . . . . 267 TRP CA . 16516 1 994 . 1 1 235 235 TRP CB C 13 31.168 0.000 . 1 . . . . 267 TRP CB . 16516 1 995 . 1 1 235 235 TRP N N 15 127.249 0.027 . 1 . . . . 267 TRP N . 16516 1 996 . 1 1 236 236 THR C C 13 176.013 0.000 . 1 . . . . 268 THR C . 16516 1 997 . 1 1 236 236 THR CA C 13 60.734 0.058 . 1 . . . . 268 THR CA . 16516 1 998 . 1 1 236 236 THR CB C 13 68.309 0.009 . 1 . . . . 268 THR CB . 16516 1 999 . 1 1 237 237 TYR H H 1 8.834 0.003 . 1 . . . . 269 TYR H . 16516 1 1000 . 1 1 237 237 TYR C C 13 178.864 0.001 . 1 . . . . 269 TYR C . 16516 1 1001 . 1 1 237 237 TYR CA C 13 59.762 0.086 . 1 . . . . 269 TYR CA . 16516 1 1002 . 1 1 237 237 TYR CB C 13 37.655 0.069 . 1 . . . . 269 TYR CB . 16516 1 1003 . 1 1 237 237 TYR N N 15 122.962 0.101 . 1 . . . . 269 TYR N . 16516 1 1004 . 1 1 238 238 MET H H 1 8.008 0.007 . 1 . . . . 270 MET H . 16516 1 1005 . 1 1 238 238 MET C C 13 176.007 0.002 . 1 . . . . 270 MET C . 16516 1 1006 . 1 1 238 238 MET CA C 13 55.976 0.032 . 1 . . . . 270 MET CA . 16516 1 1007 . 1 1 238 238 MET CB C 13 32.215 0.030 . 1 . . . . 270 MET CB . 16516 1 1008 . 1 1 238 238 MET N N 15 116.772 0.092 . 1 . . . . 270 MET N . 16516 1 1009 . 1 1 239 239 MET H H 1 8.852 0.001 . 1 . . . . 271 MET H . 16516 1 1010 . 1 1 239 239 MET C C 13 175.995 0.003 . 1 . . . . 271 MET C . 16516 1 1011 . 1 1 239 239 MET CA C 13 55.881 0.044 . 1 . . . . 271 MET CA . 16516 1 1012 . 1 1 239 239 MET CB C 13 29.083 0.034 . 1 . . . . 271 MET CB . 16516 1 1013 . 1 1 239 239 MET N N 15 115.465 0.060 . 1 . . . . 271 MET N . 16516 1 1014 . 1 1 240 240 ASN H H 1 8.796 0.002 . 1 . . . . 272 ASN H . 16516 1 1015 . 1 1 240 240 ASN C C 13 176.001 0.002 . 1 . . . . 272 ASN C . 16516 1 1016 . 1 1 240 240 ASN CA C 13 53.539 0.026 . 1 . . . . 272 ASN CA . 16516 1 1017 . 1 1 240 240 ASN CB C 13 36.746 0.032 . 1 . . . . 272 ASN CB . 16516 1 1018 . 1 1 240 240 ASN N N 15 115.700 0.045 . 1 . . . . 272 ASN N . 16516 1 1019 . 1 1 241 241 ALA H H 1 7.024 0.001 . 1 . . . . 273 ALA H . 16516 1 1020 . 1 1 241 241 ALA C C 13 180.085 0.046 . 1 . . . . 273 ALA C . 16516 1 1021 . 1 1 241 241 ALA CA C 13 56.040 0.033 . 1 . . . . 273 ALA CA . 16516 1 1022 . 1 1 241 241 ALA CB C 13 17.859 0.009 . 1 . . . . 273 ALA CB . 16516 1 1023 . 1 1 241 241 ALA N N 15 120.456 0.072 . 1 . . . . 273 ALA N . 16516 1 1024 . 1 1 242 242 ARG H H 1 9.062 0.003 . 1 . . . . 274 ARG H . 16516 1 1025 . 1 1 242 242 ARG C C 13 179.998 0.030 . 1 . . . . 274 ARG C . 16516 1 1026 . 1 1 242 242 ARG CA C 13 59.591 0.028 . 1 . . . . 274 ARG CA . 16516 1 1027 . 1 1 242 242 ARG CB C 13 28.431 0.020 . 1 . . . . 274 ARG CB . 16516 1 1028 . 1 1 242 242 ARG N N 15 120.300 0.033 . 1 . . . . 274 ARG N . 16516 1 1029 . 1 1 243 243 SER H H 1 7.880 0.003 . 1 . . . . 275 SER H . 16516 1 1030 . 1 1 243 243 SER C C 13 175.963 0.000 . 1 . . . . 275 SER C . 16516 1 1031 . 1 1 243 243 SER CA C 13 60.593 0.088 . 1 . . . . 275 SER CA . 16516 1 1032 . 1 1 243 243 SER CB C 13 62.091 0.041 . 1 . . . . 275 SER CB . 16516 1 1033 . 1 1 243 243 SER N N 15 115.680 0.063 . 1 . . . . 275 SER N . 16516 1 1034 . 1 1 244 244 LYS H H 1 7.113 0.001 . 1 . . . . 276 LYS H . 16516 1 1035 . 1 1 244 244 LYS C C 13 175.415 0.004 . 1 . . . . 276 LYS C . 16516 1 1036 . 1 1 244 244 LYS CA C 13 55.470 0.031 . 1 . . . . 276 LYS CA . 16516 1 1037 . 1 1 244 244 LYS CB C 13 32.385 0.043 . 1 . . . . 276 LYS CB . 16516 1 1038 . 1 1 244 244 LYS N N 15 118.699 0.033 . 1 . . . . 276 LYS N . 16516 1 1039 . 1 1 245 245 ASN H H 1 8.006 0.002 . 1 . . . . 277 ASN H . 16516 1 1040 . 1 1 245 245 ASN C C 13 174.927 0.004 . 1 . . . . 277 ASN C . 16516 1 1041 . 1 1 245 245 ASN CA C 13 53.420 0.039 . 1 . . . . 277 ASN CA . 16516 1 1042 . 1 1 245 245 ASN CB C 13 37.118 0.032 . 1 . . . . 277 ASN CB . 16516 1 1043 . 1 1 245 245 ASN N N 15 119.058 0.034 . 1 . . . . 277 ASN N . 16516 1 1044 . 1 1 246 246 VAL H H 1 8.669 0.004 . 1 . . . . 278 VAL H . 16516 1 1045 . 1 1 246 246 VAL C C 13 174.136 0.000 . 1 . . . . 278 VAL C . 16516 1 1046 . 1 1 246 246 VAL CA C 13 61.328 0.013 . 1 . . . . 278 VAL CA . 16516 1 1047 . 1 1 246 246 VAL CB C 13 29.036 0.000 . 1 . . . . 278 VAL CB . 16516 1 1048 . 1 1 246 246 VAL N N 15 121.943 0.049 . 1 . . . . 278 VAL N . 16516 1 1049 . 1 1 247 247 GLY C C 13 170.841 0.000 . 1 . . . . 279 GLY C . 16516 1 1050 . 1 1 247 247 GLY CA C 13 44.708 0.046 . 1 . . . . 279 GLY CA . 16516 1 1051 . 1 1 248 248 TRP H H 1 8.743 0.001 . 1 . . . . 280 TRP H . 16516 1 1052 . 1 1 248 248 TRP C C 13 175.865 0.017 . 1 . . . . 280 TRP C . 16516 1 1053 . 1 1 248 248 TRP CA C 13 54.798 0.045 . 1 . . . . 280 TRP CA . 16516 1 1054 . 1 1 248 248 TRP CB C 13 32.368 0.023 . 1 . . . . 280 TRP CB . 16516 1 1055 . 1 1 248 248 TRP N N 15 116.094 0.040 . 1 . . . . 280 TRP N . 16516 1 1056 . 1 1 249 249 ARG H H 1 10.226 0.008 . 1 . . . . 281 ARG H . 16516 1 1057 . 1 1 249 249 ARG C C 13 171.127 0.014 . 1 . . . . 281 ARG C . 16516 1 1058 . 1 1 249 249 ARG CA C 13 56.751 0.032 . 1 . . . . 281 ARG CA . 16516 1 1059 . 1 1 249 249 ARG CB C 13 28.703 0.053 . 1 . . . . 281 ARG CB . 16516 1 1060 . 1 1 249 249 ARG N N 15 129.662 0.147 . 1 . . . . 281 ARG N . 16516 1 1061 . 1 1 250 250 LEU H H 1 6.591 0.003 . 1 . . . . 282 LEU H . 16516 1 1062 . 1 1 250 250 LEU C C 13 173.812 0.015 . 1 . . . . 282 LEU C . 16516 1 1063 . 1 1 250 250 LEU CA C 13 53.920 0.066 . 1 . . . . 282 LEU CA . 16516 1 1064 . 1 1 250 250 LEU CB C 13 43.890 0.055 . 1 . . . . 282 LEU CB . 16516 1 1065 . 1 1 250 250 LEU N N 15 120.641 0.058 . 1 . . . . 282 LEU N . 16516 1 1066 . 1 1 251 251 ASP H H 1 6.950 0.001 . 1 . . . . 283 ASP H . 16516 1 1067 . 1 1 251 251 ASP C C 13 174.458 0.011 . 1 . . . . 283 ASP C . 16516 1 1068 . 1 1 251 251 ASP CA C 13 52.462 0.083 . 1 . . . . 283 ASP CA . 16516 1 1069 . 1 1 251 251 ASP CB C 13 41.876 0.035 . 1 . . . . 283 ASP CB . 16516 1 1070 . 1 1 251 251 ASP N N 15 117.902 0.052 . 1 . . . . 283 ASP N . 16516 1 1071 . 1 1 252 252 TYR H H 1 8.044 0.004 . 1 . . . . 284 TYR H . 16516 1 1072 . 1 1 252 252 TYR C C 13 175.618 0.017 . 1 . . . . 284 TYR C . 16516 1 1073 . 1 1 252 252 TYR CA C 13 56.881 0.069 . 1 . . . . 284 TYR CA . 16516 1 1074 . 1 1 252 252 TYR CB C 13 43.730 0.027 . 1 . . . . 284 TYR CB . 16516 1 1075 . 1 1 252 252 TYR N N 15 118.648 0.048 . 1 . . . . 284 TYR N . 16516 1 1076 . 1 1 253 253 PHE H H 1 8.754 0.002 . 1 . . . . 285 PHE H . 16516 1 1077 . 1 1 253 253 PHE C C 13 176.310 0.004 . 1 . . . . 285 PHE C . 16516 1 1078 . 1 1 253 253 PHE CA C 13 58.548 0.043 . 1 . . . . 285 PHE CA . 16516 1 1079 . 1 1 253 253 PHE CB C 13 41.867 0.022 . 1 . . . . 285 PHE CB . 16516 1 1080 . 1 1 253 253 PHE N N 15 114.480 0.035 . 1 . . . . 285 PHE N . 16516 1 1081 . 1 1 254 254 LEU H H 1 10.245 0.005 . 1 . . . . 286 LEU H . 16516 1 1082 . 1 1 254 254 LEU C C 13 175.193 0.017 . 1 . . . . 286 LEU C . 16516 1 1083 . 1 1 254 254 LEU CA C 13 52.096 0.067 . 1 . . . . 286 LEU CA . 16516 1 1084 . 1 1 254 254 LEU CB C 13 42.774 0.059 . 1 . . . . 286 LEU CB . 16516 1 1085 . 1 1 254 254 LEU N N 15 126.805 0.047 . 1 . . . . 286 LEU N . 16516 1 1086 . 1 1 255 255 LEU H H 1 9.068 0.003 . 1 . . . . 287 LEU H . 16516 1 1087 . 1 1 255 255 LEU C C 13 177.569 0.016 . 1 . . . . 287 LEU C . 16516 1 1088 . 1 1 255 255 LEU CA C 13 52.748 0.052 . 1 . . . . 287 LEU CA . 16516 1 1089 . 1 1 255 255 LEU CB C 13 45.244 0.012 . 1 . . . . 287 LEU CB . 16516 1 1090 . 1 1 255 255 LEU N N 15 121.392 0.051 . 1 . . . . 287 LEU N . 16516 1 1091 . 1 1 256 256 SER H H 1 8.954 0.003 . 1 . . . . 288 SER H . 16516 1 1092 . 1 1 256 256 SER C C 13 175.311 0.006 . 1 . . . . 288 SER C . 16516 1 1093 . 1 1 256 256 SER CA C 13 60.809 0.029 . 1 . . . . 288 SER CA . 16516 1 1094 . 1 1 256 256 SER CB C 13 63.357 0.034 . 1 . . . . 288 SER CB . 16516 1 1095 . 1 1 256 256 SER N N 15 119.441 0.088 . 1 . . . . 288 SER N . 16516 1 1096 . 1 1 257 257 HIS H H 1 8.589 0.006 . 1 . . . . 289 HIS H . 16516 1 1097 . 1 1 257 257 HIS C C 13 179.253 0.006 . 1 . . . . 289 HIS C . 16516 1 1098 . 1 1 257 257 HIS CA C 13 58.973 0.041 . 1 . . . . 289 HIS CA . 16516 1 1099 . 1 1 257 257 HIS CB C 13 29.617 0.057 . 1 . . . . 289 HIS CB . 16516 1 1100 . 1 1 257 257 HIS N N 15 123.768 0.062 . 1 . . . . 289 HIS N . 16516 1 1101 . 1 1 258 258 SER H H 1 8.428 0.010 . 1 . . . . 290 SER H . 16516 1 1102 . 1 1 258 258 SER C C 13 175.450 0.000 . 1 . . . . 290 SER C . 16516 1 1103 . 1 1 258 258 SER CA C 13 59.446 0.085 . 1 . . . . 290 SER CA . 16516 1 1104 . 1 1 258 258 SER CB C 13 61.704 0.028 . 1 . . . . 290 SER CB . 16516 1 1105 . 1 1 258 258 SER N N 15 114.806 0.043 . 1 . . . . 290 SER N . 16516 1 1106 . 1 1 259 259 LEU H H 1 7.619 0.002 . 1 . . . . 291 LEU H . 16516 1 1107 . 1 1 259 259 LEU C C 13 177.692 0.031 . 1 . . . . 291 LEU C . 16516 1 1108 . 1 1 259 259 LEU CA C 13 53.792 0.062 . 1 . . . . 291 LEU CA . 16516 1 1109 . 1 1 259 259 LEU CB C 13 42.507 0.026 . 1 . . . . 291 LEU CB . 16516 1 1110 . 1 1 259 259 LEU N N 15 120.167 0.120 . 1 . . . . 291 LEU N . 16516 1 1111 . 1 1 260 260 LEU H H 1 7.540 0.002 . 1 . . . . 292 LEU H . 16516 1 1112 . 1 1 260 260 LEU C C 13 177.736 0.000 . 1 . . . . 292 LEU C . 16516 1 1113 . 1 1 260 260 LEU CA C 13 58.977 0.034 . 1 . . . . 292 LEU CA . 16516 1 1114 . 1 1 260 260 LEU CB C 13 37.469 0.000 . 1 . . . . 292 LEU CB . 16516 1 1115 . 1 1 260 260 LEU N N 15 121.437 0.047 . 1 . . . . 292 LEU N . 16516 1 1116 . 1 1 261 261 PRO C C 13 176.195 0.023 . 1 . . . . 293 PRO C . 16516 1 1117 . 1 1 261 261 PRO CA C 13 64.818 0.032 . 1 . . . . 293 PRO CA . 16516 1 1118 . 1 1 261 261 PRO CB C 13 30.137 0.042 . 1 . . . . 293 PRO CB . 16516 1 1119 . 1 1 262 262 ALA H H 1 7.376 0.002 . 1 . . . . 294 ALA H . 16516 1 1120 . 1 1 262 262 ALA C C 13 176.882 0.008 . 1 . . . . 294 ALA C . 16516 1 1121 . 1 1 262 262 ALA CA C 13 50.768 0.021 . 1 . . . . 294 ALA CA . 16516 1 1122 . 1 1 262 262 ALA CB C 13 19.082 0.025 . 1 . . . . 294 ALA CB . 16516 1 1123 . 1 1 262 262 ALA N N 15 117.027 0.051 . 1 . . . . 294 ALA N . 16516 1 1124 . 1 1 263 263 LEU H H 1 7.681 0.002 . 1 . . . . 295 LEU H . 16516 1 1125 . 1 1 263 263 LEU C C 13 174.904 0.002 . 1 . . . . 295 LEU C . 16516 1 1126 . 1 1 263 263 LEU CA C 13 55.801 0.039 . 1 . . . . 295 LEU CA . 16516 1 1127 . 1 1 263 263 LEU CB C 13 40.513 0.078 . 1 . . . . 295 LEU CB . 16516 1 1128 . 1 1 263 263 LEU N N 15 123.057 0.037 . 1 . . . . 295 LEU N . 16516 1 1129 . 1 1 264 264 CYS H H 1 8.182 0.001 . 1 . . . . 296 CYS H . 16516 1 1130 . 1 1 264 264 CYS C C 13 173.160 0.003 . 1 . . . . 296 CYS C . 16516 1 1131 . 1 1 264 264 CYS CA C 13 59.166 0.056 . 1 . . . . 296 CYS CA . 16516 1 1132 . 1 1 264 264 CYS CB C 13 27.738 0.075 . 1 . . . . 296 CYS CB . 16516 1 1133 . 1 1 264 264 CYS N N 15 124.880 0.039 . 1 . . . . 296 CYS N . 16516 1 1134 . 1 1 265 265 ASP H H 1 7.370 0.001 . 1 . . . . 297 ASP H . 16516 1 1135 . 1 1 265 265 ASP C C 13 174.538 0.019 . 1 . . . . 297 ASP C . 16516 1 1136 . 1 1 265 265 ASP CA C 13 52.487 0.070 . 1 . . . . 297 ASP CA . 16516 1 1137 . 1 1 265 265 ASP CB C 13 45.312 0.016 . 1 . . . . 297 ASP CB . 16516 1 1138 . 1 1 265 265 ASP N N 15 111.142 0.097 . 1 . . . . 297 ASP N . 16516 1 1139 . 1 1 266 266 SER H H 1 9.229 0.003 . 1 . . . . 298 SER H . 16516 1 1140 . 1 1 266 266 SER C C 13 172.981 0.013 . 1 . . . . 298 SER C . 16516 1 1141 . 1 1 266 266 SER CA C 13 56.358 0.038 . 1 . . . . 298 SER CA . 16516 1 1142 . 1 1 266 266 SER CB C 13 65.230 0.009 . 1 . . . . 298 SER CB . 16516 1 1143 . 1 1 266 266 SER N N 15 117.361 0.107 . 1 . . . . 298 SER N . 16516 1 1144 . 1 1 267 267 LYS H H 1 10.539 0.002 . 1 . . . . 299 LYS H . 16516 1 1145 . 1 1 267 267 LYS C C 13 177.490 0.000 . 1 . . . . 299 LYS C . 16516 1 1146 . 1 1 267 267 LYS CA C 13 52.359 0.019 . 1 . . . . 299 LYS CA . 16516 1 1147 . 1 1 267 267 LYS CB C 13 29.604 0.012 . 1 . . . . 299 LYS CB . 16516 1 1148 . 1 1 267 267 LYS N N 15 124.119 0.035 . 1 . . . . 299 LYS N . 16516 1 1149 . 1 1 268 268 ILE H H 1 9.067 0.002 . 1 . . . . 300 ILE H . 16516 1 1150 . 1 1 268 268 ILE C C 13 174.992 0.016 . 1 . . . . 300 ILE C . 16516 1 1151 . 1 1 268 268 ILE CA C 13 61.864 0.064 . 1 . . . . 300 ILE CA . 16516 1 1152 . 1 1 268 268 ILE CB C 13 38.950 0.010 . 1 . . . . 300 ILE CB . 16516 1 1153 . 1 1 268 268 ILE N N 15 125.144 0.020 . 1 . . . . 300 ILE N . 16516 1 1154 . 1 1 269 269 ARG H H 1 7.995 0.003 . 1 . . . . 301 ARG H . 16516 1 1155 . 1 1 269 269 ARG C C 13 178.123 0.032 . 1 . . . . 301 ARG C . 16516 1 1156 . 1 1 269 269 ARG CA C 13 51.751 0.059 . 1 . . . . 301 ARG CA . 16516 1 1157 . 1 1 269 269 ARG CB C 13 26.031 0.025 . 1 . . . . 301 ARG CB . 16516 1 1158 . 1 1 269 269 ARG N N 15 124.553 0.127 . 1 . . . . 301 ARG N . 16516 1 1159 . 1 1 270 270 SER H H 1 8.131 0.002 . 1 . . . . 302 SER H . 16516 1 1160 . 1 1 270 270 SER C C 13 175.954 0.017 . 1 . . . . 302 SER C . 16516 1 1161 . 1 1 270 270 SER CA C 13 61.130 0.061 . 1 . . . . 302 SER CA . 16516 1 1162 . 1 1 270 270 SER CB C 13 63.434 0.004 . 1 . . . . 302 SER CB . 16516 1 1163 . 1 1 270 270 SER N N 15 113.562 0.024 . 1 . . . . 302 SER N . 16516 1 1164 . 1 1 271 271 LYS H H 1 8.762 0.003 . 1 . . . . 303 LYS H . 16516 1 1165 . 1 1 271 271 LYS C C 13 176.755 0.034 . 1 . . . . 303 LYS C . 16516 1 1166 . 1 1 271 271 LYS CA C 13 55.352 0.032 . 1 . . . . 303 LYS CA . 16516 1 1167 . 1 1 271 271 LYS CB C 13 31.286 0.062 . 1 . . . . 303 LYS CB . 16516 1 1168 . 1 1 271 271 LYS N N 15 118.689 0.065 . 1 . . . . 303 LYS N . 16516 1 1169 . 1 1 272 272 ALA H H 1 7.173 0.007 . 1 . . . . 304 ALA H . 16516 1 1170 . 1 1 272 272 ALA C C 13 177.854 0.001 . 1 . . . . 304 ALA C . 16516 1 1171 . 1 1 272 272 ALA CA C 13 52.205 0.075 . 1 . . . . 304 ALA CA . 16516 1 1172 . 1 1 272 272 ALA CB C 13 16.427 0.019 . 1 . . . . 304 ALA CB . 16516 1 1173 . 1 1 272 272 ALA N N 15 123.365 0.051 . 1 . . . . 304 ALA N . 16516 1 1174 . 1 1 273 273 LEU H H 1 8.561 0.001 . 1 . . . . 305 LEU H . 16516 1 1175 . 1 1 273 273 LEU C C 13 176.270 0.004 . 1 . . . . 305 LEU C . 16516 1 1176 . 1 1 273 273 LEU CA C 13 54.390 0.085 . 1 . . . . 305 LEU CA . 16516 1 1177 . 1 1 273 273 LEU CB C 13 41.677 0.049 . 1 . . . . 305 LEU CB . 16516 1 1178 . 1 1 273 273 LEU N N 15 128.895 0.042 . 1 . . . . 305 LEU N . 16516 1 1179 . 1 1 274 274 GLY H H 1 8.628 0.002 . 1 . . . . 306 GLY H . 16516 1 1180 . 1 1 274 274 GLY C C 13 171.877 0.001 . 1 . . . . 306 GLY C . 16516 1 1181 . 1 1 274 274 GLY CA C 13 45.303 0.033 . 1 . . . . 306 GLY CA . 16516 1 1182 . 1 1 274 274 GLY N N 15 104.777 0.039 . 1 . . . . 306 GLY N . 16516 1 1183 . 1 1 275 275 SER H H 1 8.617 0.008 . 1 . . . . 307 SER H . 16516 1 1184 . 1 1 275 275 SER C C 13 173.563 0.011 . 1 . . . . 307 SER C . 16516 1 1185 . 1 1 275 275 SER CA C 13 54.878 0.043 . 1 . . . . 307 SER CA . 16516 1 1186 . 1 1 275 275 SER CB C 13 63.267 0.062 . 1 . . . . 307 SER CB . 16516 1 1187 . 1 1 275 275 SER N N 15 115.674 0.040 . 1 . . . . 307 SER N . 16516 1 1188 . 1 1 276 276 ASP H H 1 9.053 0.005 . 1 . . . . 308 ASP H . 16516 1 1189 . 1 1 276 276 ASP C C 13 175.822 0.003 . 1 . . . . 308 ASP C . 16516 1 1190 . 1 1 276 276 ASP CA C 13 54.539 0.068 . 1 . . . . 308 ASP CA . 16516 1 1191 . 1 1 276 276 ASP CB C 13 36.581 0.056 . 1 . . . . 308 ASP CB . 16516 1 1192 . 1 1 276 276 ASP N N 15 122.371 0.069 . 1 . . . . 308 ASP N . 16516 1 1193 . 1 1 277 277 HIS H H 1 8.665 0.001 . 1 . . . . 309 HIS H . 16516 1 1194 . 1 1 277 277 HIS C C 13 178.012 0.005 . 1 . . . . 309 HIS C . 16516 1 1195 . 1 1 277 277 HIS CA C 13 53.367 0.087 . 1 . . . . 309 HIS CA . 16516 1 1196 . 1 1 277 277 HIS CB C 13 32.358 0.025 . 1 . . . . 309 HIS CB . 16516 1 1197 . 1 1 277 277 HIS N N 15 115.356 0.065 . 1 . . . . 309 HIS N . 16516 1 1198 . 1 1 278 278 CYS H H 1 9.470 0.004 . 1 . . . . 310 CYS H . 16516 1 1199 . 1 1 278 278 CYS C C 13 169.013 0.000 . 1 . . . . 310 CYS C . 16516 1 1200 . 1 1 278 278 CYS CA C 13 53.602 0.046 . 1 . . . . 310 CYS CA . 16516 1 1201 . 1 1 278 278 CYS CB C 13 27.742 0.000 . 1 . . . . 310 CYS CB . 16516 1 1202 . 1 1 278 278 CYS N N 15 123.340 0.038 . 1 . . . . 310 CYS N . 16516 1 1203 . 1 1 279 279 PRO C C 13 175.984 0.008 . 1 . . . . 311 PRO C . 16516 1 1204 . 1 1 279 279 PRO CA C 13 61.463 0.046 . 1 . . . . 311 PRO CA . 16516 1 1205 . 1 1 279 279 PRO CB C 13 30.509 0.036 . 1 . . . . 311 PRO CB . 16516 1 1206 . 1 1 280 280 ILE H H 1 8.616 0.003 . 1 . . . . 312 ILE H . 16516 1 1207 . 1 1 280 280 ILE C C 13 175.419 0.013 . 1 . . . . 312 ILE C . 16516 1 1208 . 1 1 280 280 ILE CA C 13 59.255 0.017 . 1 . . . . 312 ILE CA . 16516 1 1209 . 1 1 280 280 ILE CB C 13 40.413 0.058 . 1 . . . . 312 ILE CB . 16516 1 1210 . 1 1 280 280 ILE N N 15 113.141 0.062 . 1 . . . . 312 ILE N . 16516 1 1211 . 1 1 281 281 THR H H 1 7.896 0.001 . 1 . . . . 313 THR H . 16516 1 1212 . 1 1 281 281 THR C C 13 170.479 0.001 . 1 . . . . 313 THR C . 16516 1 1213 . 1 1 281 281 THR CA C 13 61.136 0.045 . 1 . . . . 313 THR CA . 16516 1 1214 . 1 1 281 281 THR CB C 13 72.402 0.021 . 1 . . . . 313 THR CB . 16516 1 1215 . 1 1 281 281 THR N N 15 118.119 0.039 . 1 . . . . 313 THR N . 16516 1 1216 . 1 1 282 282 LEU H H 1 9.476 0.002 . 1 . . . . 314 LEU H . 16516 1 1217 . 1 1 282 282 LEU C C 13 174.837 0.023 . 1 . . . . 314 LEU C . 16516 1 1218 . 1 1 282 282 LEU CA C 13 52.156 0.068 . 1 . . . . 314 LEU CA . 16516 1 1219 . 1 1 282 282 LEU CB C 13 43.453 0.083 . 1 . . . . 314 LEU CB . 16516 1 1220 . 1 1 282 282 LEU N N 15 131.604 0.052 . 1 . . . . 314 LEU N . 16516 1 1221 . 1 1 283 283 TYR H H 1 8.227 0.003 . 1 . . . . 315 TYR H . 16516 1 1222 . 1 1 283 283 TYR C C 13 174.895 0.051 . 1 . . . . 315 TYR C . 16516 1 1223 . 1 1 283 283 TYR CA C 13 56.483 0.058 . 1 . . . . 315 TYR CA . 16516 1 1224 . 1 1 283 283 TYR CB C 13 41.329 0.003 . 1 . . . . 315 TYR CB . 16516 1 1225 . 1 1 283 283 TYR N N 15 121.892 0.101 . 1 . . . . 315 TYR N . 16516 1 1226 . 1 1 284 284 LEU H H 1 9.017 0.006 . 1 . . . . 316 LEU H . 16516 1 1227 . 1 1 284 284 LEU C C 13 175.304 0.017 . 1 . . . . 316 LEU C . 16516 1 1228 . 1 1 284 284 LEU CA C 13 52.278 0.079 . 1 . . . . 316 LEU CA . 16516 1 1229 . 1 1 284 284 LEU CB C 13 45.930 0.029 . 1 . . . . 316 LEU CB . 16516 1 1230 . 1 1 284 284 LEU N N 15 122.186 0.050 . 1 . . . . 316 LEU N . 16516 1 1231 . 1 1 285 285 ALA H H 1 9.789 0.002 . 1 . . . . 317 ALA H . 16516 1 1232 . 1 1 285 285 ALA C C 13 173.756 0.011 . 1 . . . . 317 ALA C . 16516 1 1233 . 1 1 285 285 ALA CA C 13 50.892 0.029 . 1 . . . . 317 ALA CA . 16516 1 1234 . 1 1 285 285 ALA CB C 13 18.708 0.054 . 1 . . . . 317 ALA CB . 16516 1 1235 . 1 1 285 285 ALA N N 15 129.492 0.021 . 1 . . . . 317 ALA N . 16516 1 1236 . 1 1 286 286 LEU H H 1 6.998 0.001 . 1 . . . . 318 LEU H . 16516 1 1237 . 1 1 286 286 LEU C C 13 182.456 0.000 . 1 . . . . 318 LEU C . 16516 1 1238 . 1 1 286 286 LEU CA C 13 55.305 0.009 . 1 . . . . 318 LEU CA . 16516 1 1239 . 1 1 286 286 LEU CB C 13 43.336 0.000 . 1 . . . . 318 LEU CB . 16516 1 1240 . 1 1 286 286 LEU N N 15 127.269 0.032 . 1 . . . . 318 LEU N . 16516 1 stop_ save_