data_17507 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17507 _Entry.Title ; DJ-1 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-04 _Entry.Accession_date 2011-03-04 _Entry.Last_release_date 2011-03-14 _Entry.Original_release_date 2011-03-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 David Eliezer . . . 17507 2 Gaetano Malgieri . . . 17507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 533 17507 '15N chemical shifts' 171 17507 '1H chemical shifts' 171 17507 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-03-14 2011-03-04 original author . 17507 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17507 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18436956 _Citation.Full_citation . _Citation.Title 'Structural effects of Parkinson s disease linked DJ-1 mutations' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 5 _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 855 _Citation.Page_last 868 _Citation.Year 2008 _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 Gaetano Malgieri . . . 17507 1 2 David Eliezer . . . 17507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17507 _Assembly.ID 1 _Assembly.Name 'DJ-1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 DJ-1 1 $DJ-1 A . yes native no no . . . 17507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DJ-1 _Entity.Sf_category entity _Entity.Sf_framecode DJ-1 _Entity.Entry_ID 17507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DJ-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASKRALVILAKGAEEMETV IPVDVMRRAGIKVTVAGLAG KDPVQCSRDVVICPDASLED AKKEGPYDVVVLPGGNLGAQ NLSESAAVKEILKEQENRKG LIAAICAGPTALLAHEIGFG SKVTTHPLAKDKMMNGGHYT YSENRVEKDGLILTSRGPGT SFEFALAIVEALNGKEVAAQ VKAPLVLKDLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 no PDB 1J42 . "Crystal Structure Of Human Dj-1" . . . . . 95.94 189 99.47 99.47 3.75e-130 . . . . 17507 1 2 no PDB 1P5F . "Crystal Structure Of Human Dj-1" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 3 no PDB 1PDV . "Crystal Structure Of Human Dj-1, P 31 2 1 Space Group" . . . . . 100.00 197 97.97 97.97 1.64e-134 . . . . 17507 1 4 no PDB 1PDW . "Crystal Structure Of Human Dj-1, P 1 21 1 Space Group" . . . . . 100.00 197 97.97 97.97 1.64e-134 . . . . 17507 1 5 no PDB 1PE0 . "Crystal Structure Of The K130r Mutant Of Human Dj-1" . . . . . 100.00 197 99.49 100.00 1.61e-138 . . . . 17507 1 6 no PDB 1Q2U . "Crystal Structure Of Dj-1RS AND IMPLICATION ON FAMILIAL PARKINSON'S Disease" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 7 no PDB 1SOA . "Human Dj-1 With Sulfinic Acid" . . . . . 95.94 189 99.47 99.47 3.83e-130 . . . . 17507 1 8 no PDB 1UCF . "The Crystal Structure Of Dj-1, A Protein Related To Male Fertility And Parkinson's Disease" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 9 no PDB 2OR3 . "Pre-Oxidation Complex Of Human Dj-1" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 10 no PDB 2R1T . "Dopamine Quinone Conjugation To Dj-1" . . . . . 94.92 187 99.47 99.47 1.26e-128 . . . . 17507 1 11 no PDB 2R1U . "Dj-1 Activation By Catechol Quinone Modification" . . . . . 94.92 187 100.00 100.00 9.26e-130 . . . . 17507 1 12 no PDB 2R1V . "Norepinephrine Quinone Conjugation To Dj-1" . . . . . 94.92 187 99.47 99.47 1.26e-128 . . . . 17507 1 13 no PDB 2RK3 . "Structure Of A104t Dj-1" . . . . . 100.00 197 99.49 99.49 3.20e-138 . . . . 17507 1 14 no PDB 2RK4 . "Structure Of M26i Dj-1" . . . . . 100.00 197 99.49 100.00 4.07e-138 . . . . 17507 1 15 no PDB 2RK6 . "Structure Of E163k Dj-1" . . . . . 95.94 192 98.94 99.47 2.95e-129 . . . . 17507 1 16 no PDB 3B36 . "Structure Of M26l Dj-1" . . . . . 95.94 192 99.47 100.00 8.92e-131 . . . . 17507 1 17 no PDB 3B38 . "Structure Of A104v Dj-1" . . . . . 95.94 192 99.47 99.47 1.40e-130 . . . . 17507 1 18 no PDB 3B3A . "Structure Of E163kR145E DJ-1" . . . . . 95.94 192 98.94 99.47 9.77e-130 . . . . 17507 1 19 no PDB 3BWE . "Crystal Structure Of Aggregated Form Of Dj1" . . . . . 95.43 189 97.87 97.87 1.62e-126 . . . . 17507 1 20 no PDB 3CY6 . "Crystal Structure Of E18q Dj-1" . . . . . 100.00 197 99.49 100.00 1.57e-138 . . . . 17507 1 21 no PDB 3CYF . "Crystal Structure Of E18n Dj-1" . . . . . 100.00 197 98.98 98.98 1.25e-136 . . . . 17507 1 22 no PDB 3CZ9 . "Crystal Structure Of E18l Dj-1" . . . . . 100.00 197 99.49 99.49 1.14e-137 . . . . 17507 1 23 no PDB 3CZA . "Crystal Structure Of E18d Dj-1" . . . . . 100.00 197 99.49 100.00 2.80e-138 . . . . 17507 1 24 no PDB 3EZG . "Crystal Structure Of E18q Dj-1 With Oxidized C106" . . . . . 99.49 196 98.98 99.49 4.99e-136 . . . . 17507 1 25 no PDB 3F71 . "Crystal Structure Of E18d Dj-1 With Oxidized C106" . . . . . 99.49 196 98.98 99.49 6.85e-136 . . . . 17507 1 26 no PDB 3SF8 . "Structural Insights Into Thiol Stabilization Of Dj-1" . . . . . 96.95 191 100.00 100.00 5.57e-133 . . . . 17507 1 27 no PDB 4BTE . "Dj-1 Cu(i) Complex" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 28 no PDB 4MNT . "Crystal Structure Of Human Dj-1 In Complex With Cu" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 29 no PDB 4MTC . "Crystal Structure Of Human C53a Dj-1" . . . . . 95.94 189 99.47 99.47 2.06e-130 . . . . 17507 1 30 no PDB 4N0M . "Crystal Structure Of Human C53a Dj-1 In Complex With Cu" . . . . . 95.94 189 99.47 99.47 2.06e-130 . . . . 17507 1 31 no PDB 4N12 . "Crystal Structure Of Human E18d Dj-1 In Complex With Cu" . . . . . 95.94 189 98.94 99.47 1.29e-129 . . . . 17507 1 32 no PDB 4OGF . "Crystal Structure Of Human Dj-1 With Glyoxylate As Substrate Analog" . . . . . 94.92 187 99.47 99.47 2.54e-128 . . . . 17507 1 33 no PDB 4OQ4 . "Crystal Structure Of E18a Human Dj-1" . . . . . 95.94 192 98.94 98.94 4.62e-129 . . . . 17507 1 34 no PDB 4P2G . "Crystal Structure Of Dj-1 In Sulfinic Acid Form (aged Crystal)" . . . . . 95.94 189 99.47 99.47 3.83e-130 . . . . 17507 1 35 no PDB 4P34 . "Crystal Structure Of Dj-1 In Sulfenic Acid Form (fresh Crystal)" . . . . . 95.94 189 99.47 99.47 3.83e-130 . . . . 17507 1 36 no PDB 4P35 . "Crystal Structure Of Dj-1 With Zinc(ii) Bound (crystal I)" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 37 no PDB 4P36 . "Crystal Structure Of Dj-1 With Zn(ii) Bound (crystal 2)" . . . . . 95.94 189 99.47 99.47 3.83e-130 . . . . 17507 1 38 no PDB 4RKW . "Crystal Structure Of Dj-1" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 39 no PDB 4RKY . "Crystal Structure Of Dj-1 Isoform X1" . . . . . 95.94 189 99.47 99.47 3.83e-130 . . . . 17507 1 40 no PDB 4S0Z . "Crystal Structure Of M26v Human Dj-1" . . . . . 95.94 192 99.47 100.00 1.56e-130 . . . . 17507 1 41 no PDB 4ZGG . "Crystal Structure Of A Dj-1 (park7) From Homo Sapiens At 1.23 A Resolution" . . . . . 95.43 190 97.87 97.87 2.31e-126 . . . . 17507 1 42 no DBJ BAA09603 . "DJ-1 protein [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 43 no DBJ BAB71781 . "DJ-1 [Chlorocebus aethiops]" . . . . . 95.94 189 99.47 100.00 1.49e-131 . . . . 17507 1 44 no DBJ BAB71782 . "DJ-1 [Homo sapiens]" . . . . . 95.94 189 99.47 99.47 3.75e-130 . . . . 17507 1 45 no DBJ BAG34938 . "unnamed protein product [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 46 no DBJ BAG73513 . "Parkinson disease 7 [synthetic construct]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 47 no GB AAC12806 . "RNA-binding protein regulatory subunit [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 48 no GB AAH08188 . "Parkinson disease (autosomal recessive, early onset) 7 [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 49 no GB ACJ13695 . "epididymis secretory sperm binding protein Li 67p [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 50 no GB ADQ32403 . "Parkinson disease (autosomal recessive, early onset) 7 [synthetic construct]" . . . . . 95.94 189 99.47 99.47 2.40e-130 . . . . 17507 1 51 no GB EAW71591 . "Parkinson disease (autosomal recessive, early onset) 7 [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 52 no REF NP_001116849 . "protein DJ-1 [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 53 no REF NP_009193 . "protein DJ-1 [Homo sapiens]" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 54 no REF XP_001158093 . "PREDICTED: protein DJ-1 isoform X1 [Pan troglodytes]" . . . . . 95.94 189 99.47 100.00 1.49e-131 . . . . 17507 1 55 no REF XP_001158489 . "PREDICTED: protein DJ-1 isoform X1 [Pan troglodytes]" . . . . . 95.94 189 99.47 100.00 1.49e-131 . . . . 17507 1 56 no REF XP_002750288 . "PREDICTED: protein DJ-1 isoform X1 [Callithrix jacchus]" . . . . . 95.94 189 98.94 100.00 8.57e-131 . . . . 17507 1 57 no SP Q95LI9 . "RecName: Full=Protein deglycase DJ-1; AltName: Full=Parkinson disease protein 7 homolog; Flags: Precursor" . . . . . 95.94 189 99.47 100.00 1.49e-131 . . . . 17507 1 58 no SP Q99497 . "RecName: Full=Protein deglycase DJ-1; Short=DJ-1; AltName: Full=Oncogene DJ1; AltName: Full=Parkinson disease protein 7; Flags:" . . . . . 95.94 189 100.00 100.00 8.45e-132 . . . . 17507 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17507 1 2 . ALA . 17507 1 3 . SER . 17507 1 4 . LYS . 17507 1 5 . ARG . 17507 1 6 . ALA . 17507 1 7 . LEU . 17507 1 8 . VAL . 17507 1 9 . ILE . 17507 1 10 . LEU . 17507 1 11 . ALA . 17507 1 12 . LYS . 17507 1 13 . GLY . 17507 1 14 . ALA . 17507 1 15 . GLU . 17507 1 16 . GLU . 17507 1 17 . MET . 17507 1 18 . GLU . 17507 1 19 . THR . 17507 1 20 . VAL . 17507 1 21 . ILE . 17507 1 22 . PRO . 17507 1 23 . VAL . 17507 1 24 . ASP . 17507 1 25 . VAL . 17507 1 26 . MET . 17507 1 27 . ARG . 17507 1 28 . ARG . 17507 1 29 . ALA . 17507 1 30 . GLY . 17507 1 31 . ILE . 17507 1 32 . LYS . 17507 1 33 . VAL . 17507 1 34 . THR . 17507 1 35 . VAL . 17507 1 36 . ALA . 17507 1 37 . GLY . 17507 1 38 . LEU . 17507 1 39 . ALA . 17507 1 40 . GLY . 17507 1 41 . LYS . 17507 1 42 . ASP . 17507 1 43 . PRO . 17507 1 44 . VAL . 17507 1 45 . GLN . 17507 1 46 . CYS . 17507 1 47 . SER . 17507 1 48 . ARG . 17507 1 49 . ASP . 17507 1 50 . VAL . 17507 1 51 . VAL . 17507 1 52 . ILE . 17507 1 53 . CYS . 17507 1 54 . PRO . 17507 1 55 . ASP . 17507 1 56 . ALA . 17507 1 57 . SER . 17507 1 58 . LEU . 17507 1 59 . GLU . 17507 1 60 . ASP . 17507 1 61 . ALA . 17507 1 62 . LYS . 17507 1 63 . LYS . 17507 1 64 . GLU . 17507 1 65 . GLY . 17507 1 66 . PRO . 17507 1 67 . TYR . 17507 1 68 . ASP . 17507 1 69 . VAL . 17507 1 70 . VAL . 17507 1 71 . VAL . 17507 1 72 . LEU . 17507 1 73 . PRO . 17507 1 74 . GLY . 17507 1 75 . GLY . 17507 1 76 . ASN . 17507 1 77 . LEU . 17507 1 78 . GLY . 17507 1 79 . ALA . 17507 1 80 . GLN . 17507 1 81 . ASN . 17507 1 82 . LEU . 17507 1 83 . SER . 17507 1 84 . GLU . 17507 1 85 . SER . 17507 1 86 . ALA . 17507 1 87 . ALA . 17507 1 88 . VAL . 17507 1 89 . LYS . 17507 1 90 . GLU . 17507 1 91 . ILE . 17507 1 92 . LEU . 17507 1 93 . LYS . 17507 1 94 . GLU . 17507 1 95 . GLN . 17507 1 96 . GLU . 17507 1 97 . ASN . 17507 1 98 . ARG . 17507 1 99 . LYS . 17507 1 100 . GLY . 17507 1 101 . LEU . 17507 1 102 . ILE . 17507 1 103 . ALA . 17507 1 104 . ALA . 17507 1 105 . ILE . 17507 1 106 . CYS . 17507 1 107 . ALA . 17507 1 108 . GLY . 17507 1 109 . PRO . 17507 1 110 . THR . 17507 1 111 . ALA . 17507 1 112 . LEU . 17507 1 113 . LEU . 17507 1 114 . ALA . 17507 1 115 . HIS . 17507 1 116 . GLU . 17507 1 117 . ILE . 17507 1 118 . GLY . 17507 1 119 . PHE . 17507 1 120 . GLY . 17507 1 121 . SER . 17507 1 122 . LYS . 17507 1 123 . VAL . 17507 1 124 . THR . 17507 1 125 . THR . 17507 1 126 . HIS . 17507 1 127 . PRO . 17507 1 128 . LEU . 17507 1 129 . ALA . 17507 1 130 . LYS . 17507 1 131 . ASP . 17507 1 132 . LYS . 17507 1 133 . MET . 17507 1 134 . MET . 17507 1 135 . ASN . 17507 1 136 . GLY . 17507 1 137 . GLY . 17507 1 138 . HIS . 17507 1 139 . TYR . 17507 1 140 . THR . 17507 1 141 . TYR . 17507 1 142 . SER . 17507 1 143 . GLU . 17507 1 144 . ASN . 17507 1 145 . ARG . 17507 1 146 . VAL . 17507 1 147 . GLU . 17507 1 148 . LYS . 17507 1 149 . ASP . 17507 1 150 . GLY . 17507 1 151 . LEU . 17507 1 152 . ILE . 17507 1 153 . LEU . 17507 1 154 . THR . 17507 1 155 . SER . 17507 1 156 . ARG . 17507 1 157 . GLY . 17507 1 158 . PRO . 17507 1 159 . GLY . 17507 1 160 . THR . 17507 1 161 . SER . 17507 1 162 . PHE . 17507 1 163 . GLU . 17507 1 164 . PHE . 17507 1 165 . ALA . 17507 1 166 . LEU . 17507 1 167 . ALA . 17507 1 168 . ILE . 17507 1 169 . VAL . 17507 1 170 . GLU . 17507 1 171 . ALA . 17507 1 172 . LEU . 17507 1 173 . ASN . 17507 1 174 . GLY . 17507 1 175 . LYS . 17507 1 176 . GLU . 17507 1 177 . VAL . 17507 1 178 . ALA . 17507 1 179 . ALA . 17507 1 180 . GLN . 17507 1 181 . VAL . 17507 1 182 . LYS . 17507 1 183 . ALA . 17507 1 184 . PRO . 17507 1 185 . LEU . 17507 1 186 . VAL . 17507 1 187 . LEU . 17507 1 188 . LYS . 17507 1 189 . ASP . 17507 1 190 . LEU . 17507 1 191 . GLU . 17507 1 192 . HIS . 17507 1 193 . HIS . 17507 1 194 . HIS . 17507 1 195 . HIS . 17507 1 196 . HIS . 17507 1 197 . HIS . 17507 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17507 1 . ALA 2 2 17507 1 . SER 3 3 17507 1 . LYS 4 4 17507 1 . ARG 5 5 17507 1 . ALA 6 6 17507 1 . LEU 7 7 17507 1 . VAL 8 8 17507 1 . ILE 9 9 17507 1 . LEU 10 10 17507 1 . ALA 11 11 17507 1 . LYS 12 12 17507 1 . GLY 13 13 17507 1 . ALA 14 14 17507 1 . GLU 15 15 17507 1 . GLU 16 16 17507 1 . MET 17 17 17507 1 . GLU 18 18 17507 1 . THR 19 19 17507 1 . VAL 20 20 17507 1 . ILE 21 21 17507 1 . PRO 22 22 17507 1 . VAL 23 23 17507 1 . ASP 24 24 17507 1 . VAL 25 25 17507 1 . MET 26 26 17507 1 . ARG 27 27 17507 1 . ARG 28 28 17507 1 . ALA 29 29 17507 1 . GLY 30 30 17507 1 . ILE 31 31 17507 1 . LYS 32 32 17507 1 . VAL 33 33 17507 1 . THR 34 34 17507 1 . VAL 35 35 17507 1 . ALA 36 36 17507 1 . GLY 37 37 17507 1 . LEU 38 38 17507 1 . ALA 39 39 17507 1 . GLY 40 40 17507 1 . LYS 41 41 17507 1 . ASP 42 42 17507 1 . PRO 43 43 17507 1 . VAL 44 44 17507 1 . GLN 45 45 17507 1 . CYS 46 46 17507 1 . SER 47 47 17507 1 . ARG 48 48 17507 1 . ASP 49 49 17507 1 . VAL 50 50 17507 1 . VAL 51 51 17507 1 . ILE 52 52 17507 1 . CYS 53 53 17507 1 . PRO 54 54 17507 1 . ASP 55 55 17507 1 . ALA 56 56 17507 1 . SER 57 57 17507 1 . LEU 58 58 17507 1 . GLU 59 59 17507 1 . ASP 60 60 17507 1 . ALA 61 61 17507 1 . LYS 62 62 17507 1 . LYS 63 63 17507 1 . GLU 64 64 17507 1 . GLY 65 65 17507 1 . PRO 66 66 17507 1 . TYR 67 67 17507 1 . ASP 68 68 17507 1 . VAL 69 69 17507 1 . VAL 70 70 17507 1 . VAL 71 71 17507 1 . LEU 72 72 17507 1 . PRO 73 73 17507 1 . GLY 74 74 17507 1 . GLY 75 75 17507 1 . ASN 76 76 17507 1 . LEU 77 77 17507 1 . GLY 78 78 17507 1 . ALA 79 79 17507 1 . GLN 80 80 17507 1 . ASN 81 81 17507 1 . LEU 82 82 17507 1 . SER 83 83 17507 1 . GLU 84 84 17507 1 . SER 85 85 17507 1 . ALA 86 86 17507 1 . ALA 87 87 17507 1 . VAL 88 88 17507 1 . LYS 89 89 17507 1 . GLU 90 90 17507 1 . ILE 91 91 17507 1 . LEU 92 92 17507 1 . LYS 93 93 17507 1 . GLU 94 94 17507 1 . GLN 95 95 17507 1 . GLU 96 96 17507 1 . ASN 97 97 17507 1 . ARG 98 98 17507 1 . LYS 99 99 17507 1 . GLY 100 100 17507 1 . LEU 101 101 17507 1 . ILE 102 102 17507 1 . ALA 103 103 17507 1 . ALA 104 104 17507 1 . ILE 105 105 17507 1 . CYS 106 106 17507 1 . ALA 107 107 17507 1 . GLY 108 108 17507 1 . PRO 109 109 17507 1 . THR 110 110 17507 1 . ALA 111 111 17507 1 . LEU 112 112 17507 1 . LEU 113 113 17507 1 . ALA 114 114 17507 1 . HIS 115 115 17507 1 . GLU 116 116 17507 1 . ILE 117 117 17507 1 . GLY 118 118 17507 1 . PHE 119 119 17507 1 . GLY 120 120 17507 1 . SER 121 121 17507 1 . LYS 122 122 17507 1 . VAL 123 123 17507 1 . THR 124 124 17507 1 . THR 125 125 17507 1 . HIS 126 126 17507 1 . PRO 127 127 17507 1 . LEU 128 128 17507 1 . ALA 129 129 17507 1 . LYS 130 130 17507 1 . ASP 131 131 17507 1 . LYS 132 132 17507 1 . MET 133 133 17507 1 . MET 134 134 17507 1 . ASN 135 135 17507 1 . GLY 136 136 17507 1 . GLY 137 137 17507 1 . HIS 138 138 17507 1 . TYR 139 139 17507 1 . THR 140 140 17507 1 . TYR 141 141 17507 1 . SER 142 142 17507 1 . GLU 143 143 17507 1 . ASN 144 144 17507 1 . ARG 145 145 17507 1 . VAL 146 146 17507 1 . GLU 147 147 17507 1 . LYS 148 148 17507 1 . ASP 149 149 17507 1 . GLY 150 150 17507 1 . LEU 151 151 17507 1 . ILE 152 152 17507 1 . LEU 153 153 17507 1 . THR 154 154 17507 1 . SER 155 155 17507 1 . ARG 156 156 17507 1 . GLY 157 157 17507 1 . PRO 158 158 17507 1 . GLY 159 159 17507 1 . THR 160 160 17507 1 . SER 161 161 17507 1 . PHE 162 162 17507 1 . GLU 163 163 17507 1 . PHE 164 164 17507 1 . ALA 165 165 17507 1 . LEU 166 166 17507 1 . ALA 167 167 17507 1 . ILE 168 168 17507 1 . VAL 169 169 17507 1 . GLU 170 170 17507 1 . ALA 171 171 17507 1 . LEU 172 172 17507 1 . ASN 173 173 17507 1 . GLY 174 174 17507 1 . LYS 175 175 17507 1 . GLU 176 176 17507 1 . VAL 177 177 17507 1 . ALA 178 178 17507 1 . ALA 179 179 17507 1 . GLN 180 180 17507 1 . VAL 181 181 17507 1 . LYS 182 182 17507 1 . ALA 183 183 17507 1 . PRO 184 184 17507 1 . LEU 185 185 17507 1 . VAL 186 186 17507 1 . LEU 187 187 17507 1 . LYS 188 188 17507 1 . ASP 189 189 17507 1 . LEU 190 190 17507 1 . GLU 191 191 17507 1 . HIS 192 192 17507 1 . HIS 193 193 17507 1 . HIS 194 194 17507 1 . HIS 195 195 17507 1 . HIS 196 196 17507 1 . HIS 197 197 17507 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 17507 _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 $DJ-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17507 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 17507 _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 $DJ-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET24d . . . . . . 17507 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17507 _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 DJ-1 '[U-13C; U-15N; U-2H]' . . 1 $DJ-1 . . 0.3 . . mM . . . . 17507 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17507 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17507 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17507 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17507 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17507 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DJ-1 '[U-100% 15N]' . . 1 $DJ-1 . . 0.3 . . mM . . . . 17507 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17507 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17507 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17507 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17507 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17507 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DJ-1 '[U-13C; U-15N]' . . 1 $DJ-1 . . 0.3 . . mM . . . . 17507 3 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17507 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17507 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17507 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17507 3 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 17507 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17507 1 pH 6 . pH 17507 1 pressure 1 . atm 17507 1 temperature 300 . K 17507 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17507 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17507 1 'data analysis' 17507 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17507 _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' . . 17507 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17507 2 'data analysis' 17507 2 processing 17507 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17507 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17507 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17507 3 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 17507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17507 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cold-probe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17507 _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 . 900 . . . 17507 1 2 spectrometer_2 Varian INOVA . 600 cold-probe . . 17507 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 17507 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17507 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17507 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17507 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17507 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17507 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17507 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 17507 _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 . . . . . . . . . 17507 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17507 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17507 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 17507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17507 1 2 '3D HNCACB' . . . 17507 1 3 '3D CBCA(CO)NH' . . . 17507 1 4 '3D HNCO' . . . 17507 1 5 '3D HN(CA)CO' . . . 17507 1 6 '2D 1H-15N HSQC' . . . 17507 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 3 3 SER CA C 13 58.73 0.30 . 1 . . . . 3 SER CA . 17507 1 2 . 1 1 3 3 SER CB C 13 64.10 0.30 . 1 . . . . 3 SER CB . 17507 1 3 . 1 1 4 4 LYS H H 1 8.85 0.01 . 1 . . . . 4 LYS H . 17507 1 4 . 1 1 4 4 LYS C C 13 175.66 0.30 . 1 . . . . 4 LYS C . 17507 1 5 . 1 1 4 4 LYS CA C 13 54.69 0.30 . 1 . . . . 4 LYS CA . 17507 1 6 . 1 1 4 4 LYS CB C 13 33.25 0.30 . 1 . . . . 4 LYS CB . 17507 1 7 . 1 1 4 4 LYS N N 15 123.27 0.15 . 1 . . . . 4 LYS N . 17507 1 8 . 1 1 5 5 ARG H H 1 9.86 0.01 . 1 . . . . 5 ARG H . 17507 1 9 . 1 1 5 5 ARG C C 13 175.54 0.30 . 1 . . . . 5 ARG C . 17507 1 10 . 1 1 5 5 ARG CA C 13 54.76 0.30 . 1 . . . . 5 ARG CA . 17507 1 11 . 1 1 5 5 ARG CB C 13 34.48 0.30 . 1 . . . . 5 ARG CB . 17507 1 12 . 1 1 5 5 ARG N N 15 119.54 0.15 . 1 . . . . 5 ARG N . 17507 1 13 . 1 1 6 6 ALA H H 1 9.19 0.01 . 1 . . . . 6 ALA H . 17507 1 14 . 1 1 6 6 ALA C C 13 173.89 0.30 . 1 . . . . 6 ALA C . 17507 1 15 . 1 1 6 6 ALA CA C 13 49.52 0.30 . 1 . . . . 6 ALA CA . 17507 1 16 . 1 1 6 6 ALA CB C 13 25.36 0.30 . 1 . . . . 6 ALA CB . 17507 1 17 . 1 1 6 6 ALA N N 15 123.62 0.15 . 1 . . . . 6 ALA N . 17507 1 18 . 1 1 7 7 LEU H H 1 8.23 0.01 . 1 . . . . 7 LEU H . 17507 1 19 . 1 1 7 7 LEU C C 13 173.92 0.30 . 1 . . . . 7 LEU C . 17507 1 20 . 1 1 7 7 LEU CA C 13 52.87 0.30 . 1 . . . . 7 LEU CA . 17507 1 21 . 1 1 7 7 LEU CB C 13 42.36 0.30 . 1 . . . . 7 LEU CB . 17507 1 22 . 1 1 7 7 LEU N N 15 124.33 0.15 . 1 . . . . 7 LEU N . 17507 1 23 . 1 1 8 8 VAL H H 1 8.76 0.01 . 1 . . . . 8 VAL H . 17507 1 24 . 1 1 8 8 VAL C C 13 174.18 0.30 . 1 . . . . 8 VAL C . 17507 1 25 . 1 1 8 8 VAL CA C 13 60.50 0.30 . 1 . . . . 8 VAL CA . 17507 1 26 . 1 1 8 8 VAL CB C 13 32.62 0.30 . 1 . . . . 8 VAL CB . 17507 1 27 . 1 1 8 8 VAL N N 15 127.61 0.15 . 1 . . . . 8 VAL N . 17507 1 28 . 1 1 9 9 ILE H H 1 7.54 0.01 . 1 . . . . 9 ILE H . 17507 1 29 . 1 1 9 9 ILE C C 13 172.97 0.30 . 1 . . . . 9 ILE C . 17507 1 30 . 1 1 9 9 ILE CA C 13 62.32 0.30 . 1 . . . . 9 ILE CA . 17507 1 31 . 1 1 9 9 ILE CB C 13 36.97 0.30 . 1 . . . . 9 ILE CB . 17507 1 32 . 1 1 9 9 ILE N N 15 125.69 0.15 . 1 . . . . 9 ILE N . 17507 1 33 . 1 1 10 10 LEU H H 1 9.08 0.01 . 1 . . . . 10 LEU H . 17507 1 34 . 1 1 10 10 LEU C C 13 173.17 0.30 . 1 . . . . 10 LEU C . 17507 1 35 . 1 1 10 10 LEU CA C 13 53.66 0.30 . 1 . . . . 10 LEU CA . 17507 1 36 . 1 1 10 10 LEU CB C 13 43.83 0.30 . 1 . . . . 10 LEU CB . 17507 1 37 . 1 1 10 10 LEU N N 15 130.49 0.15 . 1 . . . . 10 LEU N . 17507 1 38 . 1 1 11 11 ALA H H 1 9.69 0.01 . 1 . . . . 11 ALA H . 17507 1 39 . 1 1 11 11 ALA C C 13 176.24 0.30 . 1 . . . . 11 ALA C . 17507 1 40 . 1 1 11 11 ALA CA C 13 49.01 0.30 . 1 . . . . 11 ALA CA . 17507 1 41 . 1 1 11 11 ALA CB C 13 23.12 0.30 . 1 . . . . 11 ALA CB . 17507 1 42 . 1 1 11 11 ALA N N 15 134.60 0.15 . 1 . . . . 11 ALA N . 17507 1 43 . 1 1 12 12 LYS H H 1 8.71 0.01 . 1 . . . . 12 LYS H . 17507 1 44 . 1 1 12 12 LYS C C 13 176.78 0.30 . 1 . . . . 12 LYS C . 17507 1 45 . 1 1 12 12 LYS CA C 13 58.14 0.30 . 1 . . . . 12 LYS CA . 17507 1 46 . 1 1 12 12 LYS CB C 13 31.60 0.30 . 1 . . . . 12 LYS CB . 17507 1 47 . 1 1 12 12 LYS N N 15 120.52 0.15 . 1 . . . . 12 LYS N . 17507 1 48 . 1 1 13 13 GLY H H 1 8.49 0.01 . 1 . . . . 13 GLY H . 17507 1 49 . 1 1 13 13 GLY C C 13 175.73 0.30 . 1 . . . . 13 GLY C . 17507 1 50 . 1 1 13 13 GLY CA C 13 44.72 0.30 . 1 . . . . 13 GLY CA . 17507 1 51 . 1 1 13 13 GLY N N 15 108.35 0.15 . 1 . . . . 13 GLY N . 17507 1 52 . 1 1 14 14 ALA H H 1 8.22 0.01 . 1 . . . . 14 ALA H . 17507 1 53 . 1 1 14 14 ALA C C 13 176.51 0.30 . 1 . . . . 14 ALA C . 17507 1 54 . 1 1 14 14 ALA CA C 13 52.03 0.30 . 1 . . . . 14 ALA CA . 17507 1 55 . 1 1 14 14 ALA CB C 13 19.64 0.30 . 1 . . . . 14 ALA CB . 17507 1 56 . 1 1 14 14 ALA N N 15 124.13 0.15 . 1 . . . . 14 ALA N . 17507 1 57 . 1 1 15 15 GLU H H 1 7.65 0.01 . 1 . . . . 15 GLU H . 17507 1 58 . 1 1 15 15 GLU C C 13 179.10 0.30 . 1 . . . . 15 GLU C . 17507 1 59 . 1 1 15 15 GLU CA C 13 56.64 0.30 . 1 . . . . 15 GLU CA . 17507 1 60 . 1 1 15 15 GLU CB C 13 29.56 0.30 . 1 . . . . 15 GLU CB . 17507 1 61 . 1 1 15 15 GLU N N 15 126.27 0.15 . 1 . . . . 15 GLU N . 17507 1 62 . 1 1 16 16 GLU C C 13 180.46 0.30 . 1 . . . . 16 GLU C . 17507 1 63 . 1 1 17 17 MET H H 1 9.59 0.01 . 1 . . . . 17 MET H . 17507 1 64 . 1 1 17 17 MET C C 13 177.45 0.30 . 1 . . . . 17 MET C . 17507 1 65 . 1 1 17 17 MET CA C 13 60.91 0.30 . 1 . . . . 17 MET CA . 17507 1 66 . 1 1 17 17 MET CB C 13 32.94 0.30 . 1 . . . . 17 MET CB . 17507 1 67 . 1 1 17 17 MET N N 15 123.27 0.15 . 1 . . . . 17 MET N . 17507 1 68 . 1 1 18 18 GLU H H 1 7.19 0.01 . 1 . . . . 18 GLU H . 17507 1 69 . 1 1 18 18 GLU C C 13 174.19 0.30 . 1 . . . . 18 GLU C . 17507 1 70 . 1 1 18 18 GLU CA C 13 56.12 0.30 . 1 . . . . 18 GLU CA . 17507 1 71 . 1 1 18 18 GLU CB C 13 28.06 0.30 . 1 . . . . 18 GLU CB . 17507 1 72 . 1 1 18 18 GLU N N 15 114.76 0.15 . 1 . . . . 18 GLU N . 17507 1 73 . 1 1 19 19 THR H H 1 7.26 0.01 . 1 . . . . 19 THR H . 17507 1 74 . 1 1 19 19 THR C C 13 175.52 0.30 . 1 . . . . 19 THR C . 17507 1 75 . 1 1 19 19 THR CA C 13 65.68 0.30 . 1 . . . . 19 THR CA . 17507 1 76 . 1 1 19 19 THR CB C 13 68.40 0.30 . 1 . . . . 19 THR CB . 17507 1 77 . 1 1 19 19 THR N N 15 110.94 0.15 . 1 . . . . 19 THR N . 17507 1 78 . 1 1 20 20 VAL C C 13 176.41 0.30 . 1 . . . . 20 VAL C . 17507 1 79 . 1 1 20 20 VAL CA C 13 66.75 0.30 . 1 . . . . 20 VAL CA . 17507 1 80 . 1 1 20 20 VAL CB C 13 31.39 0.30 . 1 . . . . 20 VAL CB . 17507 1 81 . 1 1 21 21 ILE H H 1 8.11 0.01 . 1 . . . . 21 ILE H . 17507 1 82 . 1 1 21 21 ILE C C 13 174.30 0.30 . 1 . . . . 21 ILE C . 17507 1 83 . 1 1 21 21 ILE CA C 13 66.75 0.30 . 1 . . . . 21 ILE CA . 17507 1 84 . 1 1 21 21 ILE CB C 13 35.11 0.30 . 1 . . . . 21 ILE CB . 17507 1 85 . 1 1 21 21 ILE N N 15 116.85 0.15 . 1 . . . . 21 ILE N . 17507 1 86 . 1 1 22 22 PRO C C 13 177.59 0.30 . 1 . . . . 22 PRO C . 17507 1 87 . 1 1 22 22 PRO CA C 13 65.86 0.30 . 1 . . . . 22 PRO CA . 17507 1 88 . 1 1 22 22 PRO CB C 13 29.63 0.30 . 1 . . . . 22 PRO CB . 17507 1 89 . 1 1 23 23 VAL H H 1 7.05 0.01 . 1 . . . . 23 VAL H . 17507 1 90 . 1 1 23 23 VAL C C 13 175.75 0.30 . 1 . . . . 23 VAL C . 17507 1 91 . 1 1 23 23 VAL CA C 13 67.90 0.30 . 1 . . . . 23 VAL CA . 17507 1 92 . 1 1 23 23 VAL CB C 13 31.48 0.30 . 1 . . . . 23 VAL CB . 17507 1 93 . 1 1 23 23 VAL N N 15 115.40 0.15 . 1 . . . . 23 VAL N . 17507 1 94 . 1 1 24 24 ASP H H 1 8.29 0.01 . 1 . . . . 24 ASP H . 17507 1 95 . 1 1 24 24 ASP C C 13 176.35 0.30 . 1 . . . . 24 ASP C . 17507 1 96 . 1 1 24 24 ASP CA C 13 56.68 0.30 . 1 . . . . 24 ASP CA . 17507 1 97 . 1 1 24 24 ASP CB C 13 38.43 0.30 . 1 . . . . 24 ASP CB . 17507 1 98 . 1 1 24 24 ASP N N 15 117.07 0.15 . 1 . . . . 24 ASP N . 17507 1 99 . 1 1 25 25 VAL H H 1 8.55 0.01 . 1 . . . . 25 VAL H . 17507 1 100 . 1 1 25 25 VAL C C 13 177.13 0.30 . 1 . . . . 25 VAL C . 17507 1 101 . 1 1 25 25 VAL CA C 13 67.82 0.30 . 1 . . . . 25 VAL CA . 17507 1 102 . 1 1 25 25 VAL CB C 13 30.75 0.30 . 1 . . . . 25 VAL CB . 17507 1 103 . 1 1 25 25 VAL N N 15 115.58 0.15 . 1 . . . . 25 VAL N . 17507 1 104 . 1 1 26 26 MET H H 1 8.38 0.01 . 1 . . . . 26 MET H . 17507 1 105 . 1 1 26 26 MET C C 13 178.32 0.30 . 1 . . . . 26 MET C . 17507 1 106 . 1 1 26 26 MET CA C 13 60.85 0.30 . 1 . . . . 26 MET CA . 17507 1 107 . 1 1 26 26 MET CB C 13 33.34 0.30 . 1 . . . . 26 MET CB . 17507 1 108 . 1 1 26 26 MET N N 15 114.12 0.15 . 1 . . . . 26 MET N . 17507 1 109 . 1 1 27 27 ARG H H 1 8.24 0.01 . 1 . . . . 27 ARG H . 17507 1 110 . 1 1 27 27 ARG C C 13 182.25 0.30 . 1 . . . . 27 ARG C . 17507 1 111 . 1 1 27 27 ARG CA C 13 60.84 0.30 . 1 . . . . 27 ARG CA . 17507 1 112 . 1 1 27 27 ARG CB C 13 29.01 0.30 . 1 . . . . 27 ARG CB . 17507 1 113 . 1 1 27 27 ARG N N 15 120.08 0.15 . 1 . . . . 27 ARG N . 17507 1 114 . 1 1 28 28 ARG H H 1 8.94 0.01 . 1 . . . . 28 ARG H . 17507 1 115 . 1 1 28 28 ARG C C 13 177.65 0.30 . 1 . . . . 28 ARG C . 17507 1 116 . 1 1 28 28 ARG CA C 13 59.30 0.30 . 1 . . . . 28 ARG CA . 17507 1 117 . 1 1 28 28 ARG CB C 13 29.23 0.30 . 1 . . . . 28 ARG CB . 17507 1 118 . 1 1 28 28 ARG N N 15 122.69 0.15 . 1 . . . . 28 ARG N . 17507 1 119 . 1 1 29 29 ALA H H 1 7.45 0.01 . 1 . . . . 29 ALA H . 17507 1 120 . 1 1 29 29 ALA C C 13 176.25 0.30 . 1 . . . . 29 ALA C . 17507 1 121 . 1 1 29 29 ALA CA C 13 51.58 0.30 . 1 . . . . 29 ALA CA . 17507 1 122 . 1 1 29 29 ALA CB C 13 20.55 0.30 . 1 . . . . 29 ALA CB . 17507 1 123 . 1 1 29 29 ALA N N 15 118.99 0.15 . 1 . . . . 29 ALA N . 17507 1 124 . 1 1 30 30 GLY H H 1 7.86 0.01 . 1 . . . . 30 GLY H . 17507 1 125 . 1 1 30 30 GLY C C 13 174.87 0.30 . 1 . . . . 30 GLY C . 17507 1 126 . 1 1 30 30 GLY CA C 13 45.13 0.30 . 1 . . . . 30 GLY CA . 17507 1 127 . 1 1 30 30 GLY N N 15 105.74 0.15 . 1 . . . . 30 GLY N . 17507 1 128 . 1 1 31 31 ILE H H 1 7.68 0.01 . 1 . . . . 31 ILE H . 17507 1 129 . 1 1 31 31 ILE C C 13 175.73 0.30 . 1 . . . . 31 ILE C . 17507 1 130 . 1 1 31 31 ILE CA C 13 60.96 0.30 . 1 . . . . 31 ILE CA . 17507 1 131 . 1 1 31 31 ILE CB C 13 37.67 0.30 . 1 . . . . 31 ILE CB . 17507 1 132 . 1 1 31 31 ILE N N 15 123.10 0.15 . 1 . . . . 31 ILE N . 17507 1 133 . 1 1 32 32 LYS H H 1 8.65 0.01 . 1 . . . . 32 LYS H . 17507 1 134 . 1 1 32 32 LYS C C 13 175.70 0.30 . 1 . . . . 32 LYS C . 17507 1 135 . 1 1 32 32 LYS CA C 13 55.38 0.30 . 1 . . . . 32 LYS CA . 17507 1 136 . 1 1 32 32 LYS CB C 13 31.09 0.30 . 1 . . . . 32 LYS CB . 17507 1 137 . 1 1 32 32 LYS N N 15 128.79 0.15 . 1 . . . . 32 LYS N . 17507 1 138 . 1 1 33 33 VAL H H 1 9.50 0.01 . 1 . . . . 33 VAL H . 17507 1 139 . 1 1 33 33 VAL C C 13 175.50 0.30 . 1 . . . . 33 VAL C . 17507 1 140 . 1 1 33 33 VAL CA C 13 60.57 0.30 . 1 . . . . 33 VAL CA . 17507 1 141 . 1 1 33 33 VAL CB C 13 32.69 0.30 . 1 . . . . 33 VAL CB . 17507 1 142 . 1 1 33 33 VAL N N 15 131.42 0.15 . 1 . . . . 33 VAL N . 17507 1 143 . 1 1 34 34 THR H H 1 9.12 0.01 . 1 . . . . 34 THR H . 17507 1 144 . 1 1 34 34 THR C C 13 172.67 0.30 . 1 . . . . 34 THR C . 17507 1 145 . 1 1 34 34 THR CA C 13 61.76 0.30 . 1 . . . . 34 THR CA . 17507 1 146 . 1 1 34 34 THR CB C 13 70.08 0.30 . 1 . . . . 34 THR CB . 17507 1 147 . 1 1 34 34 THR N N 15 126.16 0.15 . 1 . . . . 34 THR N . 17507 1 148 . 1 1 35 35 VAL H H 1 10.10 0.01 . 1 . . . . 35 VAL H . 17507 1 149 . 1 1 35 35 VAL C C 13 174.28 0.30 . 1 . . . . 35 VAL C . 17507 1 150 . 1 1 35 35 VAL CA C 13 61.84 0.30 . 1 . . . . 35 VAL CA . 17507 1 151 . 1 1 35 35 VAL CB C 13 29.93 0.30 . 1 . . . . 35 VAL CB . 17507 1 152 . 1 1 35 35 VAL N N 15 131.25 0.15 . 1 . . . . 35 VAL N . 17507 1 153 . 1 1 36 36 ALA H H 1 9.17 0.01 . 1 . . . . 36 ALA H . 17507 1 154 . 1 1 36 36 ALA C C 13 176.37 0.30 . 1 . . . . 36 ALA C . 17507 1 155 . 1 1 36 36 ALA CA C 13 48.67 0.30 . 1 . . . . 36 ALA CA . 17507 1 156 . 1 1 36 36 ALA CB C 13 21.62 0.30 . 1 . . . . 36 ALA CB . 17507 1 157 . 1 1 36 36 ALA N N 15 132.29 0.15 . 1 . . . . 36 ALA N . 17507 1 158 . 1 1 37 37 GLY H H 1 9.13 0.01 . 1 . . . . 37 GLY H . 17507 1 159 . 1 1 37 37 GLY C C 13 174.57 0.30 . 1 . . . . 37 GLY C . 17507 1 160 . 1 1 37 37 GLY CA C 13 44.21 0.30 . 1 . . . . 37 GLY CA . 17507 1 161 . 1 1 37 37 GLY N N 15 110.19 0.15 . 1 . . . . 37 GLY N . 17507 1 162 . 1 1 38 38 LEU H H 1 8.42 0.01 . 1 . . . . 38 LEU H . 17507 1 163 . 1 1 38 38 LEU C C 13 177.20 0.30 . 1 . . . . 38 LEU C . 17507 1 164 . 1 1 38 38 LEU CA C 13 58.32 0.30 . 1 . . . . 38 LEU CA . 17507 1 165 . 1 1 38 38 LEU CB C 13 42.34 0.30 . 1 . . . . 38 LEU CB . 17507 1 166 . 1 1 38 38 LEU N N 15 130.38 0.15 . 1 . . . . 38 LEU N . 17507 1 167 . 1 1 39 39 ALA H H 1 8.74 0.01 . 1 . . . . 39 ALA H . 17507 1 168 . 1 1 39 39 ALA C C 13 176.51 0.30 . 1 . . . . 39 ALA C . 17507 1 169 . 1 1 39 39 ALA CA C 13 51.37 0.30 . 1 . . . . 39 ALA CA . 17507 1 170 . 1 1 39 39 ALA CB C 13 18.59 0.30 . 1 . . . . 39 ALA CB . 17507 1 171 . 1 1 39 39 ALA N N 15 118.23 0.15 . 1 . . . . 39 ALA N . 17507 1 172 . 1 1 40 40 GLY H H 1 7.37 0.01 . 1 . . . . 40 GLY H . 17507 1 173 . 1 1 40 40 GLY C C 13 173.03 0.30 . 1 . . . . 40 GLY C . 17507 1 174 . 1 1 40 40 GLY CA C 13 44.56 0.30 . 1 . . . . 40 GLY CA . 17507 1 175 . 1 1 40 40 GLY N N 15 105.51 0.15 . 1 . . . . 40 GLY N . 17507 1 176 . 1 1 41 41 LYS H H 1 8.81 0.01 . 1 . . . . 41 LYS H . 17507 1 177 . 1 1 41 41 LYS C C 13 175.08 0.30 . 1 . . . . 41 LYS C . 17507 1 178 . 1 1 41 41 LYS CA C 13 55.66 0.30 . 1 . . . . 41 LYS CA . 17507 1 179 . 1 1 41 41 LYS CB C 13 32.47 0.30 . 1 . . . . 41 LYS CB . 17507 1 180 . 1 1 41 41 LYS N N 15 120.38 0.15 . 1 . . . . 41 LYS N . 17507 1 181 . 1 1 42 42 ASP H H 1 7.79 0.01 . 1 . . . . 42 ASP H . 17507 1 182 . 1 1 42 42 ASP C C 13 172.70 0.30 . 1 . . . . 42 ASP C . 17507 1 183 . 1 1 42 42 ASP CA C 13 53.45 0.30 . 1 . . . . 42 ASP CA . 17507 1 184 . 1 1 42 42 ASP CB C 13 38.81 0.30 . 1 . . . . 42 ASP CB . 17507 1 185 . 1 1 42 42 ASP N N 15 119.45 0.15 . 1 . . . . 42 ASP N . 17507 1 186 . 1 1 43 43 PRO C C 13 175.91 0.30 . 1 . . . . 43 PRO C . 17507 1 187 . 1 1 43 43 PRO CA C 13 63.51 0.30 . 1 . . . . 43 PRO CA . 17507 1 188 . 1 1 43 43 PRO CB C 13 31.87 0.30 . 1 . . . . 43 PRO CB . 17507 1 189 . 1 1 44 44 VAL H H 1 8.87 0.01 . 1 . . . . 44 VAL H . 17507 1 190 . 1 1 44 44 VAL C C 13 173.86 0.30 . 1 . . . . 44 VAL C . 17507 1 191 . 1 1 44 44 VAL CA C 13 61.89 0.30 . 1 . . . . 44 VAL CA . 17507 1 192 . 1 1 44 44 VAL CB C 13 33.71 0.30 . 1 . . . . 44 VAL CB . 17507 1 193 . 1 1 44 44 VAL N N 15 124.94 0.15 . 1 . . . . 44 VAL N . 17507 1 194 . 1 1 45 45 GLN C C 13 175.73 0.30 . 1 . . . . 45 GLN C . 17507 1 195 . 1 1 45 45 GLN CA C 13 56.32 0.30 . 1 . . . . 45 GLN CA . 17507 1 196 . 1 1 45 45 GLN CB C 13 27.89 0.30 . 1 . . . . 45 GLN CB . 17507 1 197 . 1 1 46 46 CYS H H 1 8.84 0.01 . 1 . . . . 46 CYS H . 17507 1 198 . 1 1 46 46 CYS C C 13 174.73 0.30 . 1 . . . . 46 CYS C . 17507 1 199 . 1 1 46 46 CYS CA C 13 61.63 0.30 . 1 . . . . 46 CYS CA . 17507 1 200 . 1 1 46 46 CYS CB C 13 27.83 0.30 . 1 . . . . 46 CYS CB . 17507 1 201 . 1 1 46 46 CYS N N 15 127.14 0.15 . 1 . . . . 46 CYS N . 17507 1 202 . 1 1 47 47 SER H H 1 9.12 0.01 . 1 . . . . 47 SER H . 17507 1 203 . 1 1 47 47 SER C C 13 174.75 0.30 . 1 . . . . 47 SER C . 17507 1 204 . 1 1 47 47 SER CA C 13 61.74 0.30 . 1 . . . . 47 SER CA . 17507 1 205 . 1 1 47 47 SER CB C 13 63.10 0.30 . 1 . . . . 47 SER CB . 17507 1 206 . 1 1 47 47 SER N N 15 118.74 0.15 . 1 . . . . 47 SER N . 17507 1 207 . 1 1 48 48 ARG C C 13 174.08 0.30 . 1 . . . . 48 ARG C . 17507 1 208 . 1 1 48 48 ARG CA C 13 55.39 0.30 . 1 . . . . 48 ARG CA . 17507 1 209 . 1 1 48 48 ARG CB C 13 26.84 0.30 . 1 . . . . 48 ARG CB . 17507 1 210 . 1 1 49 49 ASP H H 1 7.70 0.01 . 1 . . . . 49 ASP H . 17507 1 211 . 1 1 49 49 ASP C C 13 176.29 0.30 . 1 . . . . 49 ASP C . 17507 1 212 . 1 1 49 49 ASP CA C 13 56.58 0.30 . 1 . . . . 49 ASP CA . 17507 1 213 . 1 1 49 49 ASP CB C 13 38.15 0.30 . 1 . . . . 49 ASP CB . 17507 1 214 . 1 1 49 49 ASP N N 15 108.75 0.15 . 1 . . . . 49 ASP N . 17507 1 215 . 1 1 50 50 VAL H H 1 7.88 0.01 . 1 . . . . 50 VAL H . 17507 1 216 . 1 1 50 50 VAL C C 13 174.18 0.30 . 1 . . . . 50 VAL C . 17507 1 217 . 1 1 50 50 VAL CA C 13 64.19 0.30 . 1 . . . . 50 VAL CA . 17507 1 218 . 1 1 50 50 VAL CB C 13 30.11 0.30 . 1 . . . . 50 VAL CB . 17507 1 219 . 1 1 50 50 VAL N N 15 122.51 0.15 . 1 . . . . 50 VAL N . 17507 1 220 . 1 1 51 51 VAL H H 1 9.23 0.01 . 1 . . . . 51 VAL H . 17507 1 221 . 1 1 51 51 VAL C C 13 175.30 0.30 . 1 . . . . 51 VAL C . 17507 1 222 . 1 1 51 51 VAL CA C 13 61.15 0.30 . 1 . . . . 51 VAL CA . 17507 1 223 . 1 1 51 51 VAL CB C 13 32.39 0.30 . 1 . . . . 51 VAL CB . 17507 1 224 . 1 1 51 51 VAL N N 15 131.47 0.15 . 1 . . . . 51 VAL N . 17507 1 225 . 1 1 52 52 ILE H H 1 8.29 0.01 . 1 . . . . 52 ILE H . 17507 1 226 . 1 1 52 52 ILE C C 13 176.12 0.30 . 1 . . . . 52 ILE C . 17507 1 227 . 1 1 52 52 ILE CA C 13 57.59 0.30 . 1 . . . . 52 ILE CA . 17507 1 228 . 1 1 52 52 ILE CB C 13 41.18 0.30 . 1 . . . . 52 ILE CB . 17507 1 229 . 1 1 52 52 ILE N N 15 126.62 0.15 . 1 . . . . 52 ILE N . 17507 1 230 . 1 1 53 53 CYS H H 1 8.56 0.01 . 1 . . . . 53 CYS H . 17507 1 231 . 1 1 53 53 CYS C C 13 172.78 0.30 . 1 . . . . 53 CYS C . 17507 1 232 . 1 1 53 53 CYS CA C 13 58.39 0.30 . 1 . . . . 53 CYS CA . 17507 1 233 . 1 1 53 53 CYS CB C 13 27.39 0.30 . 1 . . . . 53 CYS CB . 17507 1 234 . 1 1 53 53 CYS N N 15 126.33 0.15 . 1 . . . . 53 CYS N . 17507 1 235 . 1 1 54 54 PRO C C 13 174.81 0.30 . 1 . . . . 54 PRO C . 17507 1 236 . 1 1 54 54 PRO CA C 13 62.42 0.30 . 1 . . . . 54 PRO CA . 17507 1 237 . 1 1 54 54 PRO CB C 13 32.15 0.30 . 1 . . . . 54 PRO CB . 17507 1 238 . 1 1 55 55 ASP H H 1 8.96 0.01 . 1 . . . . 55 ASP H . 17507 1 239 . 1 1 55 55 ASP C C 13 176.19 0.30 . 1 . . . . 55 ASP C . 17507 1 240 . 1 1 55 55 ASP CA C 13 56.77 0.30 . 1 . . . . 55 ASP CA . 17507 1 241 . 1 1 55 55 ASP CB C 13 42.45 0.30 . 1 . . . . 55 ASP CB . 17507 1 242 . 1 1 55 55 ASP N N 15 119.39 0.15 . 1 . . . . 55 ASP N . 17507 1 243 . 1 1 56 56 ALA H H 1 7.74 0.01 . 1 . . . . 56 ALA H . 17507 1 244 . 1 1 56 56 ALA C C 13 176.42 0.30 . 1 . . . . 56 ALA C . 17507 1 245 . 1 1 56 56 ALA CA C 13 50.52 0.30 . 1 . . . . 56 ALA CA . 17507 1 246 . 1 1 56 56 ALA CB C 13 22.81 0.30 . 1 . . . . 56 ALA CB . 17507 1 247 . 1 1 56 56 ALA N N 15 116.44 0.15 . 1 . . . . 56 ALA N . 17507 1 248 . 1 1 57 57 SER H H 1 9.42 0.01 . 1 . . . . 57 SER H . 17507 1 249 . 1 1 57 57 SER C C 13 174.68 0.30 . 1 . . . . 57 SER C . 17507 1 250 . 1 1 57 57 SER CA C 13 56.98 0.30 . 1 . . . . 57 SER CA . 17507 1 251 . 1 1 57 57 SER CB C 13 64.27 0.30 . 1 . . . . 57 SER CB . 17507 1 252 . 1 1 57 57 SER N N 15 116.39 0.15 . 1 . . . . 57 SER N . 17507 1 253 . 1 1 58 58 LEU H H 1 8.66 0.01 . 1 . . . . 58 LEU H . 17507 1 254 . 1 1 58 58 LEU C C 13 177.20 0.30 . 1 . . . . 58 LEU C . 17507 1 255 . 1 1 58 58 LEU CA C 13 58.01 0.30 . 1 . . . . 58 LEU CA . 17507 1 256 . 1 1 58 58 LEU CB C 13 40.72 0.30 . 1 . . . . 58 LEU CB . 17507 1 257 . 1 1 58 58 LEU N N 15 124.31 0.15 . 1 . . . . 58 LEU N . 17507 1 258 . 1 1 59 59 GLU H H 1 8.31 0.01 . 1 . . . . 59 GLU H . 17507 1 259 . 1 1 59 59 GLU C C 13 178.11 0.30 . 1 . . . . 59 GLU C . 17507 1 260 . 1 1 59 59 GLU CA C 13 59.29 0.30 . 1 . . . . 59 GLU CA . 17507 1 261 . 1 1 59 59 GLU CB C 13 28.73 0.30 . 1 . . . . 59 GLU CB . 17507 1 262 . 1 1 59 59 GLU N N 15 118.01 0.15 . 1 . . . . 59 GLU N . 17507 1 263 . 1 1 60 60 ASP H H 1 7.58 0.01 . 1 . . . . 60 ASP H . 17507 1 264 . 1 1 60 60 ASP C C 13 179.21 0.30 . 1 . . . . 60 ASP C . 17507 1 265 . 1 1 60 60 ASP CA C 13 56.75 0.30 . 1 . . . . 60 ASP CA . 17507 1 266 . 1 1 60 60 ASP CB C 13 39.70 0.30 . 1 . . . . 60 ASP CB . 17507 1 267 . 1 1 60 60 ASP N N 15 118.06 0.15 . 1 . . . . 60 ASP N . 17507 1 268 . 1 1 61 61 ALA H H 1 8.67 0.01 . 1 . . . . 61 ALA H . 17507 1 269 . 1 1 61 61 ALA C C 13 182.38 0.30 . 1 . . . . 61 ALA C . 17507 1 270 . 1 1 61 61 ALA CA C 13 54.35 0.30 . 1 . . . . 61 ALA CA . 17507 1 271 . 1 1 61 61 ALA CB C 13 18.31 0.30 . 1 . . . . 61 ALA CB . 17507 1 272 . 1 1 61 61 ALA N N 15 122.40 0.15 . 1 . . . . 61 ALA N . 17507 1 273 . 1 1 62 62 LYS H H 1 8.89 0.01 . 1 . . . . 62 LYS H . 17507 1 274 . 1 1 62 62 LYS C C 13 177.70 0.30 . 1 . . . . 62 LYS C . 17507 1 275 . 1 1 62 62 LYS CA C 13 59.26 0.30 . 1 . . . . 62 LYS CA . 17507 1 276 . 1 1 62 62 LYS CB C 13 31.42 0.30 . 1 . . . . 62 LYS CB . 17507 1 277 . 1 1 62 62 LYS N N 15 120.84 0.15 . 1 . . . . 62 LYS N . 17507 1 278 . 1 1 63 63 LYS H H 1 7.22 0.01 . 1 . . . . 63 LYS H . 17507 1 279 . 1 1 63 63 LYS C C 13 176.94 0.30 . 1 . . . . 63 LYS C . 17507 1 280 . 1 1 63 63 LYS CA C 13 57.48 0.30 . 1 . . . . 63 LYS CA . 17507 1 281 . 1 1 63 63 LYS CB C 13 31.87 0.30 . 1 . . . . 63 LYS CB . 17507 1 282 . 1 1 63 63 LYS N N 15 117.43 0.15 . 1 . . . . 63 LYS N . 17507 1 283 . 1 1 64 64 GLU H H 1 7.19 0.01 . 1 . . . . 64 GLU H . 17507 1 284 . 1 1 64 64 GLU C C 13 175.76 0.30 . 1 . . . . 64 GLU C . 17507 1 285 . 1 1 64 64 GLU CA C 13 54.80 0.30 . 1 . . . . 64 GLU CA . 17507 1 286 . 1 1 64 64 GLU CB C 13 29.23 0.30 . 1 . . . . 64 GLU CB . 17507 1 287 . 1 1 64 64 GLU N N 15 116.56 0.15 . 1 . . . . 64 GLU N . 17507 1 288 . 1 1 65 65 GLY H H 1 7.27 0.01 . 1 . . . . 65 GLY H . 17507 1 289 . 1 1 65 65 GLY C C 13 171.30 0.30 . 1 . . . . 65 GLY C . 17507 1 290 . 1 1 65 65 GLY CA C 13 44.17 0.30 . 1 . . . . 65 GLY CA . 17507 1 291 . 1 1 65 65 GLY N N 15 106.44 0.15 . 1 . . . . 65 GLY N . 17507 1 292 . 1 1 66 66 PRO CA C 13 61.94 0.30 . 1 . . . . 66 PRO CA . 17507 1 293 . 1 1 66 66 PRO CB C 13 34.41 0.30 . 1 . . . . 66 PRO CB . 17507 1 294 . 1 1 67 67 TYR H H 1 9.45 0.01 . 1 . . . . 67 TYR H . 17507 1 295 . 1 1 67 67 TYR C C 13 175.24 0.30 . 1 . . . . 67 TYR C . 17507 1 296 . 1 1 67 67 TYR CA C 13 57.94 0.30 . 1 . . . . 67 TYR CA . 17507 1 297 . 1 1 67 67 TYR CB C 13 39.93 0.30 . 1 . . . . 67 TYR CB . 17507 1 298 . 1 1 67 67 TYR N N 15 118.55 0.15 . 1 . . . . 67 TYR N . 17507 1 299 . 1 1 68 68 ASP H H 1 8.70 0.01 . 1 . . . . 68 ASP H . 17507 1 300 . 1 1 68 68 ASP C C 13 175.58 0.30 . 1 . . . . 68 ASP C . 17507 1 301 . 1 1 68 68 ASP CA C 13 57.73 0.30 . 1 . . . . 68 ASP CA . 17507 1 302 . 1 1 68 68 ASP CB C 13 42.46 0.30 . 1 . . . . 68 ASP CB . 17507 1 303 . 1 1 68 68 ASP N N 15 122.39 0.15 . 1 . . . . 68 ASP N . 17507 1 304 . 1 1 69 69 VAL H H 1 7.66 0.01 . 1 . . . . 69 VAL H . 17507 1 305 . 1 1 69 69 VAL C C 13 171.36 0.30 . 1 . . . . 69 VAL C . 17507 1 306 . 1 1 69 69 VAL CA C 13 59.18 0.30 . 1 . . . . 69 VAL CA . 17507 1 307 . 1 1 69 69 VAL CB C 13 33.50 0.30 . 1 . . . . 69 VAL CB . 17507 1 308 . 1 1 69 69 VAL N N 15 111.70 0.15 . 1 . . . . 69 VAL N . 17507 1 309 . 1 1 70 70 VAL H H 1 7.51 0.01 . 1 . . . . 70 VAL H . 17507 1 310 . 1 1 70 70 VAL C C 13 173.41 0.30 . 1 . . . . 70 VAL C . 17507 1 311 . 1 1 70 70 VAL CA C 13 60.84 0.30 . 1 . . . . 70 VAL CA . 17507 1 312 . 1 1 70 70 VAL CB C 13 33.43 0.30 . 1 . . . . 70 VAL CB . 17507 1 313 . 1 1 70 70 VAL N N 15 128.01 0.15 . 1 . . . . 70 VAL N . 17507 1 314 . 1 1 71 71 VAL H H 1 9.42 0.01 . 1 . . . . 71 VAL H . 17507 1 315 . 1 1 71 71 VAL C C 13 174.14 0.30 . 1 . . . . 71 VAL C . 17507 1 316 . 1 1 71 71 VAL CA C 13 60.72 0.30 . 1 . . . . 71 VAL CA . 17507 1 317 . 1 1 71 71 VAL CB C 13 33.22 0.30 . 1 . . . . 71 VAL CB . 17507 1 318 . 1 1 71 71 VAL N N 15 126.62 0.15 . 1 . . . . 71 VAL N . 17507 1 319 . 1 1 72 72 LEU H H 1 9.32 0.01 . 1 . . . . 72 LEU H . 17507 1 320 . 1 1 72 72 LEU C C 13 173.78 0.30 . 1 . . . . 72 LEU C . 17507 1 321 . 1 1 72 72 LEU CA C 13 50.53 0.30 . 1 . . . . 72 LEU CA . 17507 1 322 . 1 1 72 72 LEU CB C 13 40.45 0.30 . 1 . . . . 72 LEU CB . 17507 1 323 . 1 1 72 72 LEU N N 15 126.50 0.15 . 1 . . . . 72 LEU N . 17507 1 324 . 1 1 73 73 PRO C C 13 174.38 0.30 . 1 . . . . 73 PRO C . 17507 1 325 . 1 1 73 73 PRO CA C 13 61.51 0.30 . 1 . . . . 73 PRO CA . 17507 1 326 . 1 1 73 73 PRO CB C 13 32.31 0.30 . 1 . . . . 73 PRO CB . 17507 1 327 . 1 1 74 74 GLY H H 1 6.87 0.01 . 1 . . . . 74 GLY H . 17507 1 328 . 1 1 74 74 GLY C C 13 175.43 0.30 . 1 . . . . 74 GLY C . 17507 1 329 . 1 1 74 74 GLY CA C 13 45.55 0.30 . 1 . . . . 74 GLY CA . 17507 1 330 . 1 1 74 74 GLY N N 15 105.86 0.15 . 1 . . . . 74 GLY N . 17507 1 331 . 1 1 75 75 GLY H H 1 9.24 0.01 . 1 . . . . 75 GLY H . 17507 1 332 . 1 1 75 75 GLY C C 13 177.19 0.30 . 1 . . . . 75 GLY C . 17507 1 333 . 1 1 75 75 GLY CA C 13 44.18 0.30 . 1 . . . . 75 GLY CA . 17507 1 334 . 1 1 75 75 GLY N N 15 116.85 0.15 . 1 . . . . 75 GLY N . 17507 1 335 . 1 1 77 77 LEU H H 1 9.05 0.01 . 1 . . . . 77 LEU H . 17507 1 336 . 1 1 77 77 LEU C C 13 178.45 0.30 . 1 . . . . 77 LEU C . 17507 1 337 . 1 1 77 77 LEU CA C 13 56.97 0.30 . 1 . . . . 77 LEU CA . 17507 1 338 . 1 1 77 77 LEU CB C 13 40.12 0.30 . 1 . . . . 77 LEU CB . 17507 1 339 . 1 1 77 77 LEU N N 15 121.42 0.15 . 1 . . . . 77 LEU N . 17507 1 340 . 1 1 78 78 GLY H H 1 6.47 0.01 . 1 . . . . 78 GLY H . 17507 1 341 . 1 1 78 78 GLY C C 13 176.36 0.30 . 1 . . . . 78 GLY C . 17507 1 342 . 1 1 78 78 GLY CA C 13 47.99 0.30 . 1 . . . . 78 GLY CA . 17507 1 343 . 1 1 78 78 GLY N N 15 106.44 0.15 . 1 . . . . 78 GLY N . 17507 1 344 . 1 1 79 79 ALA H H 1 8.42 0.01 . 1 . . . . 79 ALA H . 17507 1 345 . 1 1 79 79 ALA C C 13 180.30 0.30 . 1 . . . . 79 ALA C . 17507 1 346 . 1 1 79 79 ALA CA C 13 55.10 0.30 . 1 . . . . 79 ALA CA . 17507 1 347 . 1 1 79 79 ALA CB C 13 17.56 0.30 . 1 . . . . 79 ALA CB . 17507 1 348 . 1 1 79 79 ALA N N 15 121.07 0.15 . 1 . . . . 79 ALA N . 17507 1 349 . 1 1 80 80 GLN H H 1 7.73 0.01 . 1 . . . . 80 GLN H . 17507 1 350 . 1 1 80 80 GLN C C 13 178.04 0.30 . 1 . . . . 80 GLN C . 17507 1 351 . 1 1 80 80 GLN CA C 13 59.27 0.30 . 1 . . . . 80 GLN CA . 17507 1 352 . 1 1 80 80 GLN CB C 13 27.39 0.30 . 1 . . . . 80 GLN CB . 17507 1 353 . 1 1 80 80 GLN N N 15 121.99 0.15 . 1 . . . . 80 GLN N . 17507 1 354 . 1 1 81 81 ASN H H 1 8.31 0.01 . 1 . . . . 81 ASN H . 17507 1 355 . 1 1 81 81 ASN C C 13 179.38 0.30 . 1 . . . . 81 ASN C . 17507 1 356 . 1 1 81 81 ASN CA C 13 56.23 0.30 . 1 . . . . 81 ASN CA . 17507 1 357 . 1 1 81 81 ASN CB C 13 37.71 0.30 . 1 . . . . 81 ASN CB . 17507 1 358 . 1 1 81 81 ASN N N 15 118.07 0.15 . 1 . . . . 81 ASN N . 17507 1 359 . 1 1 82 82 LEU H H 1 8.66 0.01 . 1 . . . . 82 LEU H . 17507 1 360 . 1 1 82 82 LEU C C 13 180.08 0.30 . 1 . . . . 82 LEU C . 17507 1 361 . 1 1 82 82 LEU CA C 13 58.09 0.30 . 1 . . . . 82 LEU CA . 17507 1 362 . 1 1 82 82 LEU CB C 13 42.29 0.30 . 1 . . . . 82 LEU CB . 17507 1 363 . 1 1 82 82 LEU N N 15 119.05 0.15 . 1 . . . . 82 LEU N . 17507 1 364 . 1 1 83 83 SER H H 1 8.23 0.01 . 1 . . . . 83 SER H . 17507 1 365 . 1 1 83 83 SER C C 13 172.76 0.30 . 1 . . . . 83 SER C . 17507 1 366 . 1 1 83 83 SER CA C 13 62.26 0.30 . 1 . . . . 83 SER CA . 17507 1 367 . 1 1 83 83 SER CB C 13 63.13 0.30 . 1 . . . . 83 SER CB . 17507 1 368 . 1 1 83 83 SER N N 15 116.37 0.15 . 1 . . . . 83 SER N . 17507 1 369 . 1 1 84 84 GLU H H 1 7.32 0.01 . 1 . . . . 84 GLU H . 17507 1 370 . 1 1 84 84 GLU C C 13 176.43 0.30 . 1 . . . . 84 GLU C . 17507 1 371 . 1 1 84 84 GLU CA C 13 55.89 0.30 . 1 . . . . 84 GLU CA . 17507 1 372 . 1 1 84 84 GLU CB C 13 29.99 0.30 . 1 . . . . 84 GLU CB . 17507 1 373 . 1 1 84 84 GLU N N 15 117.37 0.15 . 1 . . . . 84 GLU N . 17507 1 374 . 1 1 85 85 SER H H 1 6.90 0.01 . 1 . . . . 85 SER H . 17507 1 375 . 1 1 85 85 SER C C 13 175.44 0.30 . 1 . . . . 85 SER C . 17507 1 376 . 1 1 85 85 SER CA C 13 56.97 0.30 . 1 . . . . 85 SER CA . 17507 1 377 . 1 1 85 85 SER CB C 13 62.95 0.30 . 1 . . . . 85 SER CB . 17507 1 378 . 1 1 85 85 SER N N 15 111.87 0.15 . 1 . . . . 85 SER N . 17507 1 379 . 1 1 86 86 ALA H H 1 9.12 0.01 . 1 . . . . 86 ALA H . 17507 1 380 . 1 1 86 86 ALA C C 13 179.51 0.30 . 1 . . . . 86 ALA C . 17507 1 381 . 1 1 86 86 ALA CA C 13 54.33 0.30 . 1 . . . . 86 ALA CA . 17507 1 382 . 1 1 86 86 ALA CB C 13 17.62 0.30 . 1 . . . . 86 ALA CB . 17507 1 383 . 1 1 86 86 ALA N N 15 134.25 0.15 . 1 . . . . 86 ALA N . 17507 1 384 . 1 1 87 87 ALA H H 1 7.88 0.01 . 1 . . . . 87 ALA H . 17507 1 385 . 1 1 87 87 ALA C C 13 180.40 0.30 . 1 . . . . 87 ALA C . 17507 1 386 . 1 1 87 87 ALA CA C 13 54.36 0.30 . 1 . . . . 87 ALA CA . 17507 1 387 . 1 1 87 87 ALA CB C 13 17.64 0.30 . 1 . . . . 87 ALA CB . 17507 1 388 . 1 1 87 87 ALA N N 15 121.65 0.15 . 1 . . . . 87 ALA N . 17507 1 389 . 1 1 88 88 VAL H H 1 7.55 0.01 . 1 . . . . 88 VAL H . 17507 1 390 . 1 1 88 88 VAL C C 13 176.50 0.30 . 1 . . . . 88 VAL C . 17507 1 391 . 1 1 88 88 VAL CA C 13 66.00 0.30 . 1 . . . . 88 VAL CA . 17507 1 392 . 1 1 88 88 VAL CB C 13 30.49 0.30 . 1 . . . . 88 VAL CB . 17507 1 393 . 1 1 88 88 VAL N N 15 118.67 0.15 . 1 . . . . 88 VAL N . 17507 1 394 . 1 1 89 89 LYS H H 1 7.06 0.01 . 1 . . . . 89 LYS H . 17507 1 395 . 1 1 89 89 LYS C C 13 177.21 0.30 . 1 . . . . 89 LYS C . 17507 1 396 . 1 1 89 89 LYS CA C 13 60.62 0.30 . 1 . . . . 89 LYS CA . 17507 1 397 . 1 1 89 89 LYS CB C 13 30.58 0.30 . 1 . . . . 89 LYS CB . 17507 1 398 . 1 1 89 89 LYS N N 15 120.61 0.15 . 1 . . . . 89 LYS N . 17507 1 399 . 1 1 90 90 GLU H H 1 7.48 0.01 . 1 . . . . 90 GLU H . 17507 1 400 . 1 1 90 90 GLU C C 13 179.50 0.30 . 1 . . . . 90 GLU C . 17507 1 401 . 1 1 90 90 GLU CA C 13 59.17 0.30 . 1 . . . . 90 GLU CA . 17507 1 402 . 1 1 90 90 GLU CB C 13 29.20 0.30 . 1 . . . . 90 GLU CB . 17507 1 403 . 1 1 90 90 GLU N N 15 115.17 0.15 . 1 . . . . 90 GLU N . 17507 1 404 . 1 1 91 91 ILE H H 1 7.68 0.01 . 1 . . . . 91 ILE H . 17507 1 405 . 1 1 91 91 ILE C C 13 178.62 0.30 . 1 . . . . 91 ILE C . 17507 1 406 . 1 1 91 91 ILE CA C 13 63.77 0.30 . 1 . . . . 91 ILE CA . 17507 1 407 . 1 1 91 91 ILE CB C 13 37.87 0.30 . 1 . . . . 91 ILE CB . 17507 1 408 . 1 1 91 91 ILE N N 15 119.43 0.15 . 1 . . . . 91 ILE N . 17507 1 409 . 1 1 92 92 LEU H H 1 8.55 0.01 . 1 . . . . 92 LEU H . 17507 1 410 . 1 1 92 92 LEU C C 13 178.30 0.30 . 1 . . . . 92 LEU C . 17507 1 411 . 1 1 92 92 LEU CA C 13 57.56 0.30 . 1 . . . . 92 LEU CA . 17507 1 412 . 1 1 92 92 LEU CB C 13 41.21 0.30 . 1 . . . . 92 LEU CB . 17507 1 413 . 1 1 92 92 LEU N N 15 119.62 0.15 . 1 . . . . 92 LEU N . 17507 1 414 . 1 1 93 93 LYS H H 1 8.70 0.01 . 1 . . . . 93 LYS H . 17507 1 415 . 1 1 93 93 LYS C C 13 179.65 0.30 . 1 . . . . 93 LYS C . 17507 1 416 . 1 1 93 93 LYS CA C 13 58.03 0.30 . 1 . . . . 93 LYS CA . 17507 1 417 . 1 1 93 93 LYS CB C 13 31.11 0.30 . 1 . . . . 93 LYS CB . 17507 1 418 . 1 1 93 93 LYS N N 15 119.91 0.15 . 1 . . . . 93 LYS N . 17507 1 419 . 1 1 94 94 GLU H H 1 7.98 0.01 . 1 . . . . 94 GLU H . 17507 1 420 . 1 1 94 94 GLU C C 13 178.67 0.30 . 1 . . . . 94 GLU C . 17507 1 421 . 1 1 94 94 GLU CA C 13 59.26 0.30 . 1 . . . . 94 GLU CA . 17507 1 422 . 1 1 94 94 GLU CB C 13 28.78 0.30 . 1 . . . . 94 GLU CB . 17507 1 423 . 1 1 94 94 GLU N N 15 119.66 0.15 . 1 . . . . 94 GLU N . 17507 1 424 . 1 1 95 95 GLN H H 1 8.19 0.01 . 1 . . . . 95 GLN H . 17507 1 425 . 1 1 95 95 GLN C C 13 178.17 0.30 . 1 . . . . 95 GLN C . 17507 1 426 . 1 1 95 95 GLN CA C 13 58.10 0.30 . 1 . . . . 95 GLN CA . 17507 1 427 . 1 1 95 95 GLN CB C 13 27.17 0.30 . 1 . . . . 95 GLN CB . 17507 1 428 . 1 1 95 95 GLN N N 15 121.08 0.15 . 1 . . . . 95 GLN N . 17507 1 429 . 1 1 96 96 GLU H H 1 8.73 0.01 . 1 . . . . 96 GLU H . 17507 1 430 . 1 1 96 96 GLU C C 13 180.57 0.30 . 1 . . . . 96 GLU C . 17507 1 431 . 1 1 96 96 GLU CA C 13 59.40 0.30 . 1 . . . . 96 GLU CA . 17507 1 432 . 1 1 96 96 GLU CB C 13 29.63 0.30 . 1 . . . . 96 GLU CB . 17507 1 433 . 1 1 96 96 GLU N N 15 120.13 0.15 . 1 . . . . 96 GLU N . 17507 1 434 . 1 1 97 97 ASN H H 1 8.43 0.01 . 1 . . . . 97 ASN H . 17507 1 435 . 1 1 97 97 ASN C C 13 176.75 0.30 . 1 . . . . 97 ASN C . 17507 1 436 . 1 1 97 97 ASN CA C 13 56.08 0.30 . 1 . . . . 97 ASN CA . 17507 1 437 . 1 1 97 97 ASN CB C 13 38.43 0.30 . 1 . . . . 97 ASN CB . 17507 1 438 . 1 1 97 97 ASN N N 15 119.27 0.15 . 1 . . . . 97 ASN N . 17507 1 439 . 1 1 98 98 ARG H H 1 8.02 0.01 . 1 . . . . 98 ARG H . 17507 1 440 . 1 1 98 98 ARG C C 13 175.29 0.30 . 1 . . . . 98 ARG C . 17507 1 441 . 1 1 98 98 ARG CA C 13 55.51 0.30 . 1 . . . . 98 ARG CA . 17507 1 442 . 1 1 98 98 ARG CB C 13 29.69 0.30 . 1 . . . . 98 ARG CB . 17507 1 443 . 1 1 98 98 ARG N N 15 116.38 0.15 . 1 . . . . 98 ARG N . 17507 1 444 . 1 1 99 99 LYS H H 1 7.93 0.01 . 1 . . . . 99 LYS H . 17507 1 445 . 1 1 99 99 LYS C C 13 175.72 0.30 . 1 . . . . 99 LYS C . 17507 1 446 . 1 1 99 99 LYS CA C 13 57.14 0.30 . 1 . . . . 99 LYS CA . 17507 1 447 . 1 1 99 99 LYS CB C 13 27.63 0.30 . 1 . . . . 99 LYS CB . 17507 1 448 . 1 1 99 99 LYS N N 15 116.04 0.15 . 1 . . . . 99 LYS N . 17507 1 449 . 1 1 100 100 GLY H H 1 8.35 0.01 . 1 . . . . 100 GLY H . 17507 1 450 . 1 1 100 100 GLY C C 13 171.86 0.30 . 1 . . . . 100 GLY C . 17507 1 451 . 1 1 100 100 GLY CA C 13 43.36 0.30 . 1 . . . . 100 GLY CA . 17507 1 452 . 1 1 100 100 GLY N N 15 105.69 0.15 . 1 . . . . 100 GLY N . 17507 1 453 . 1 1 101 101 LEU H H 1 7.20 0.01 . 1 . . . . 101 LEU H . 17507 1 454 . 1 1 101 101 LEU C C 13 177.35 0.30 . 1 . . . . 101 LEU C . 17507 1 455 . 1 1 101 101 LEU CA C 13 55.78 0.30 . 1 . . . . 101 LEU CA . 17507 1 456 . 1 1 101 101 LEU CB C 13 42.45 0.30 . 1 . . . . 101 LEU CB . 17507 1 457 . 1 1 101 101 LEU N N 15 119.10 0.15 . 1 . . . . 101 LEU N . 17507 1 458 . 1 1 102 102 ILE H H 1 9.02 0.01 . 1 . . . . 102 ILE H . 17507 1 459 . 1 1 102 102 ILE C C 13 172.34 0.30 . 1 . . . . 102 ILE C . 17507 1 460 . 1 1 102 102 ILE CA C 13 61.54 0.30 . 1 . . . . 102 ILE CA . 17507 1 461 . 1 1 102 102 ILE CB C 13 40.32 0.30 . 1 . . . . 102 ILE CB . 17507 1 462 . 1 1 102 102 ILE N N 15 128.01 0.15 . 1 . . . . 102 ILE N . 17507 1 463 . 1 1 103 103 ALA H H 1 9.16 0.01 . 1 . . . . 103 ALA H . 17507 1 464 . 1 1 103 103 ALA C C 13 175.64 0.30 . 1 . . . . 103 ALA C . 17507 1 465 . 1 1 103 103 ALA CA C 13 48.44 0.30 . 1 . . . . 103 ALA CA . 17507 1 466 . 1 1 103 103 ALA CB C 13 22.36 0.30 . 1 . . . . 103 ALA CB . 17507 1 467 . 1 1 103 103 ALA N N 15 129.26 0.15 . 1 . . . . 103 ALA N . 17507 1 468 . 1 1 104 104 ALA H H 1 9.44 0.01 . 1 . . . . 104 ALA H . 17507 1 469 . 1 1 104 104 ALA C C 13 173.52 0.30 . 1 . . . . 104 ALA C . 17507 1 470 . 1 1 104 104 ALA CA C 13 50.45 0.30 . 1 . . . . 104 ALA CA . 17507 1 471 . 1 1 104 104 ALA CB C 13 22.47 0.30 . 1 . . . . 104 ALA CB . 17507 1 472 . 1 1 104 104 ALA N N 15 124.48 0.15 . 1 . . . . 104 ALA N . 17507 1 473 . 1 1 105 105 ILE H H 1 7.66 0.01 . 1 . . . . 105 ILE H . 17507 1 474 . 1 1 105 105 ILE C C 13 173.44 0.30 . 1 . . . . 105 ILE C . 17507 1 475 . 1 1 105 105 ILE CA C 13 57.17 0.30 . 1 . . . . 105 ILE CA . 17507 1 476 . 1 1 105 105 ILE CB C 13 40.24 0.30 . 1 . . . . 105 ILE CB . 17507 1 477 . 1 1 105 105 ILE N N 15 117.42 0.15 . 1 . . . . 105 ILE N . 17507 1 478 . 1 1 106 106 CYS H H 1 8.34 0.01 . 1 . . . . 106 CYS H . 17507 1 479 . 1 1 106 106 CYS C C 13 177.38 0.30 . 1 . . . . 106 CYS C . 17507 1 480 . 1 1 106 106 CYS CA C 13 61.71 0.30 . 1 . . . . 106 CYS CA . 17507 1 481 . 1 1 106 106 CYS CB C 13 27.40 0.30 . 1 . . . . 106 CYS CB . 17507 1 482 . 1 1 106 106 CYS N N 15 130.56 0.15 . 1 . . . . 106 CYS N . 17507 1 483 . 1 1 107 107 ALA C C 13 179.20 0.30 . 1 . . . . 107 ALA C . 17507 1 484 . 1 1 107 107 ALA CA C 13 52.15 0.30 . 1 . . . . 107 ALA CA . 17507 1 485 . 1 1 107 107 ALA CB C 13 18.35 0.30 . 1 . . . . 107 ALA CB . 17507 1 486 . 1 1 108 108 GLY H H 1 9.19 0.01 . 1 . . . . 108 GLY H . 17507 1 487 . 1 1 108 108 GLY C C 13 172.32 0.30 . 1 . . . . 108 GLY C . 17507 1 488 . 1 1 108 108 GLY CA C 13 48.57 0.30 . 1 . . . . 108 GLY CA . 17507 1 489 . 1 1 108 108 GLY N N 15 112.45 0.15 . 1 . . . . 108 GLY N . 17507 1 490 . 1 1 109 109 PRO CA C 13 65.34 0.30 . 1 . . . . 109 PRO CA . 17507 1 491 . 1 1 109 109 PRO CB C 13 29.82 0.30 . 1 . . . . 109 PRO CB . 17507 1 492 . 1 1 110 110 THR H H 1 8.02 0.01 . 1 . . . . 110 THR H . 17507 1 493 . 1 1 110 110 THR C C 13 177.03 0.30 . 1 . . . . 110 THR C . 17507 1 494 . 1 1 110 110 THR CA C 13 65.35 0.30 . 1 . . . . 110 THR CA . 17507 1 495 . 1 1 110 110 THR CB C 13 68.24 0.30 . 1 . . . . 110 THR CB . 17507 1 496 . 1 1 110 110 THR N N 15 106.90 0.15 . 1 . . . . 110 THR N . 17507 1 497 . 1 1 111 111 ALA H H 1 7.95 0.01 . 1 . . . . 111 ALA H . 17507 1 498 . 1 1 111 111 ALA C C 13 178.84 0.30 . 1 . . . . 111 ALA C . 17507 1 499 . 1 1 111 111 ALA CA C 13 54.10 0.30 . 1 . . . . 111 ALA CA . 17507 1 500 . 1 1 111 111 ALA CB C 13 17.43 0.30 . 1 . . . . 111 ALA CB . 17507 1 501 . 1 1 111 111 ALA N N 15 125.41 0.15 . 1 . . . . 111 ALA N . 17507 1 502 . 1 1 112 112 LEU H H 1 7.50 0.01 . 1 . . . . 112 LEU H . 17507 1 503 . 1 1 112 112 LEU C C 13 178.17 0.30 . 1 . . . . 112 LEU C . 17507 1 504 . 1 1 112 112 LEU CA C 13 57.39 0.30 . 1 . . . . 112 LEU CA . 17507 1 505 . 1 1 112 112 LEU CB C 13 38.18 0.30 . 1 . . . . 112 LEU CB . 17507 1 506 . 1 1 112 112 LEU N N 15 115.18 0.15 . 1 . . . . 112 LEU N . 17507 1 507 . 1 1 113 113 LEU H H 1 6.50 0.01 . 1 . . . . 113 LEU H . 17507 1 508 . 1 1 113 113 LEU C C 13 180.33 0.30 . 1 . . . . 113 LEU C . 17507 1 509 . 1 1 113 113 LEU CA C 13 57.98 0.30 . 1 . . . . 113 LEU CA . 17507 1 510 . 1 1 113 113 LEU CB C 13 40.44 0.30 . 1 . . . . 113 LEU CB . 17507 1 511 . 1 1 113 113 LEU N N 15 119.22 0.15 . 1 . . . . 113 LEU N . 17507 1 512 . 1 1 114 114 ALA H H 1 7.44 0.01 . 1 . . . . 114 ALA H . 17507 1 513 . 1 1 114 114 ALA C C 13 178.45 0.30 . 1 . . . . 114 ALA C . 17507 1 514 . 1 1 114 114 ALA CA C 13 54.53 0.30 . 1 . . . . 114 ALA CA . 17507 1 515 . 1 1 114 114 ALA CB C 13 18.06 0.30 . 1 . . . . 114 ALA CB . 17507 1 516 . 1 1 114 114 ALA N N 15 121.24 0.15 . 1 . . . . 114 ALA N . 17507 1 517 . 1 1 115 115 HIS H H 1 7.15 0.01 . 1 . . . . 115 HIS H . 17507 1 518 . 1 1 115 115 HIS C C 13 173.05 0.30 . 1 . . . . 115 HIS C . 17507 1 519 . 1 1 115 115 HIS CA C 13 54.69 0.30 . 1 . . . . 115 HIS CA . 17507 1 520 . 1 1 115 115 HIS CB C 13 30.58 0.30 . 1 . . . . 115 HIS CB . 17507 1 521 . 1 1 115 115 HIS N N 15 111.99 0.15 . 1 . . . . 115 HIS N . 17507 1 522 . 1 1 116 116 GLU H H 1 7.87 0.01 . 1 . . . . 116 GLU H . 17507 1 523 . 1 1 116 116 GLU C C 13 175.08 0.30 . 1 . . . . 116 GLU C . 17507 1 524 . 1 1 116 116 GLU CA C 13 56.08 0.30 . 1 . . . . 116 GLU CA . 17507 1 525 . 1 1 116 116 GLU CB C 13 25.61 0.30 . 1 . . . . 116 GLU CB . 17507 1 526 . 1 1 116 116 GLU N N 15 116.19 0.15 . 1 . . . . 116 GLU N . 17507 1 527 . 1 1 117 117 ILE H H 1 8.72 0.01 . 1 . . . . 117 ILE H . 17507 1 528 . 1 1 117 117 ILE C C 13 177.42 0.30 . 1 . . . . 117 ILE C . 17507 1 529 . 1 1 117 117 ILE CA C 13 56.91 0.30 . 1 . . . . 117 ILE CA . 17507 1 530 . 1 1 117 117 ILE CB C 13 36.32 0.30 . 1 . . . . 117 ILE CB . 17507 1 531 . 1 1 117 117 ILE N N 15 120.55 0.15 . 1 . . . . 117 ILE N . 17507 1 532 . 1 1 118 118 GLY H H 1 9.15 0.01 . 1 . . . . 118 GLY H . 17507 1 533 . 1 1 118 118 GLY C C 13 175.40 0.30 . 1 . . . . 118 GLY C . 17507 1 534 . 1 1 118 118 GLY CA C 13 46.88 0.30 . 1 . . . . 118 GLY CA . 17507 1 535 . 1 1 118 118 GLY N N 15 116.05 0.15 . 1 . . . . 118 GLY N . 17507 1 536 . 1 1 119 119 PHE H H 1 8.73 0.01 . 1 . . . . 119 PHE H . 17507 1 537 . 1 1 119 119 PHE C C 13 177.79 0.30 . 1 . . . . 119 PHE C . 17507 1 538 . 1 1 119 119 PHE CA C 13 56.51 0.30 . 1 . . . . 119 PHE CA . 17507 1 539 . 1 1 119 119 PHE CB C 13 34.82 0.30 . 1 . . . . 119 PHE CB . 17507 1 540 . 1 1 119 119 PHE N N 15 121.07 0.15 . 1 . . . . 119 PHE N . 17507 1 541 . 1 1 120 120 GLY H H 1 9.22 0.01 . 1 . . . . 120 GLY H . 17507 1 542 . 1 1 120 120 GLY C C 13 175.23 0.30 . 1 . . . . 120 GLY C . 17507 1 543 . 1 1 120 120 GLY CA C 13 43.98 0.30 . 1 . . . . 120 GLY CA . 17507 1 544 . 1 1 120 120 GLY N N 15 111.01 0.15 . 1 . . . . 120 GLY N . 17507 1 545 . 1 1 121 121 SER H H 1 8.15 0.01 . 1 . . . . 121 SER H . 17507 1 546 . 1 1 121 121 SER C C 13 172.26 0.30 . 1 . . . . 121 SER C . 17507 1 547 . 1 1 121 121 SER CA C 13 59.61 0.30 . 1 . . . . 121 SER CA . 17507 1 548 . 1 1 121 121 SER CB C 13 64.29 0.30 . 1 . . . . 121 SER CB . 17507 1 549 . 1 1 121 121 SER N N 15 117.24 0.15 . 1 . . . . 121 SER N . 17507 1 550 . 1 1 122 122 LYS H H 1 9.95 0.01 . 1 . . . . 122 LYS H . 17507 1 551 . 1 1 122 122 LYS C C 13 176.02 0.30 . 1 . . . . 122 LYS C . 17507 1 552 . 1 1 122 122 LYS CA C 13 55.36 0.30 . 1 . . . . 122 LYS CA . 17507 1 553 . 1 1 122 122 LYS CB C 13 32.35 0.30 . 1 . . . . 122 LYS CB . 17507 1 554 . 1 1 122 122 LYS N N 15 126.22 0.15 . 1 . . . . 122 LYS N . 17507 1 555 . 1 1 123 123 VAL H H 1 8.53 0.01 . 1 . . . . 123 VAL H . 17507 1 556 . 1 1 123 123 VAL C C 13 172.22 0.30 . 1 . . . . 123 VAL C . 17507 1 557 . 1 1 123 123 VAL CA C 13 57.91 0.30 . 1 . . . . 123 VAL CA . 17507 1 558 . 1 1 123 123 VAL CB C 13 36.00 0.30 . 1 . . . . 123 VAL CB . 17507 1 559 . 1 1 123 123 VAL N N 15 114.81 0.15 . 1 . . . . 123 VAL N . 17507 1 560 . 1 1 124 124 THR H H 1 8.56 0.01 . 1 . . . . 124 THR H . 17507 1 561 . 1 1 124 124 THR C C 13 172.34 0.30 . 1 . . . . 124 THR C . 17507 1 562 . 1 1 124 124 THR CA C 13 60.21 0.30 . 1 . . . . 124 THR CA . 17507 1 563 . 1 1 124 124 THR CB C 13 70.98 0.30 . 1 . . . . 124 THR CB . 17507 1 564 . 1 1 124 124 THR N N 15 114.75 0.15 . 1 . . . . 124 THR N . 17507 1 565 . 1 1 125 125 THR H H 1 7.63 0.01 . 1 . . . . 125 THR H . 17507 1 566 . 1 1 125 125 THR C C 13 174.24 0.30 . 1 . . . . 125 THR C . 17507 1 567 . 1 1 125 125 THR CA C 13 59.37 0.30 . 1 . . . . 125 THR CA . 17507 1 568 . 1 1 125 125 THR CB C 13 75.99 0.30 . 1 . . . . 125 THR CB . 17507 1 569 . 1 1 125 125 THR N N 15 105.51 0.15 . 1 . . . . 125 THR N . 17507 1 570 . 1 1 126 126 HIS H H 1 8.06 0.01 . 1 . . . . 126 HIS H . 17507 1 571 . 1 1 126 126 HIS C C 13 178.00 0.30 . 1 . . . . 126 HIS C . 17507 1 572 . 1 1 126 126 HIS CA C 13 59.03 0.30 . 1 . . . . 126 HIS CA . 17507 1 573 . 1 1 126 126 HIS CB C 13 30.96 0.30 . 1 . . . . 126 HIS CB . 17507 1 574 . 1 1 126 126 HIS N N 15 122.69 0.15 . 1 . . . . 126 HIS N . 17507 1 575 . 1 1 127 127 PRO C C 13 178.72 0.30 . 1 . . . . 127 PRO C . 17507 1 576 . 1 1 127 127 PRO CA C 13 66.53 0.30 . 1 . . . . 127 PRO CA . 17507 1 577 . 1 1 127 127 PRO CB C 13 31.98 0.30 . 1 . . . . 127 PRO CB . 17507 1 578 . 1 1 128 128 LEU H H 1 11.33 0.01 . 1 . . . . 128 LEU H . 17507 1 579 . 1 1 128 128 LEU C C 13 177.96 0.30 . 1 . . . . 128 LEU C . 17507 1 580 . 1 1 128 128 LEU CA C 13 56.78 0.30 . 1 . . . . 128 LEU CA . 17507 1 581 . 1 1 128 128 LEU CB C 13 40.25 0.30 . 1 . . . . 128 LEU CB . 17507 1 582 . 1 1 128 128 LEU N N 15 119.97 0.15 . 1 . . . . 128 LEU N . 17507 1 583 . 1 1 129 129 ALA H H 1 8.20 0.01 . 1 . . . . 129 ALA H . 17507 1 584 . 1 1 129 129 ALA C C 13 175.46 0.30 . 1 . . . . 129 ALA C . 17507 1 585 . 1 1 129 129 ALA CA C 13 50.97 0.30 . 1 . . . . 129 ALA CA . 17507 1 586 . 1 1 129 129 ALA CB C 13 18.94 0.30 . 1 . . . . 129 ALA CB . 17507 1 587 . 1 1 129 129 ALA N N 15 120.60 0.15 . 1 . . . . 129 ALA N . 17507 1 588 . 1 1 130 130 LYS H H 1 6.94 0.01 . 1 . . . . 130 LYS H . 17507 1 589 . 1 1 130 130 LYS C C 13 176.76 0.30 . 1 . . . . 130 LYS C . 17507 1 590 . 1 1 130 130 LYS CA C 13 60.32 0.30 . 1 . . . . 130 LYS CA . 17507 1 591 . 1 1 130 130 LYS CB C 13 32.09 0.30 . 1 . . . . 130 LYS CB . 17507 1 592 . 1 1 130 130 LYS N N 15 121.18 0.15 . 1 . . . . 130 LYS N . 17507 1 593 . 1 1 131 131 ASP H H 1 8.30 0.01 . 1 . . . . 131 ASP H . 17507 1 594 . 1 1 131 131 ASP C C 13 179.12 0.30 . 1 . . . . 131 ASP C . 17507 1 595 . 1 1 131 131 ASP CA C 13 57.25 0.30 . 1 . . . . 131 ASP CA . 17507 1 596 . 1 1 131 131 ASP CB C 13 39.06 0.30 . 1 . . . . 131 ASP CB . 17507 1 597 . 1 1 131 131 ASP N N 15 116.67 0.15 . 1 . . . . 131 ASP N . 17507 1 598 . 1 1 132 132 LYS H H 1 7.88 0.01 . 1 . . . . 132 LYS H . 17507 1 599 . 1 1 132 132 LYS C C 13 178.29 0.30 . 1 . . . . 132 LYS C . 17507 1 600 . 1 1 132 132 LYS CA C 13 58.80 0.30 . 1 . . . . 132 LYS CA . 17507 1 601 . 1 1 132 132 LYS CB C 13 31.75 0.30 . 1 . . . . 132 LYS CB . 17507 1 602 . 1 1 132 132 LYS N N 15 120.10 0.15 . 1 . . . . 132 LYS N . 17507 1 603 . 1 1 133 133 MET H H 1 7.76 0.01 . 1 . . . . 133 MET H . 17507 1 604 . 1 1 133 133 MET C C 13 176.13 0.30 . 1 . . . . 133 MET C . 17507 1 605 . 1 1 133 133 MET CA C 13 56.12 0.30 . 1 . . . . 133 MET CA . 17507 1 606 . 1 1 133 133 MET CB C 13 32.54 0.30 . 1 . . . . 133 MET CB . 17507 1 607 . 1 1 133 133 MET N N 15 117.03 0.15 . 1 . . . . 133 MET N . 17507 1 608 . 1 1 134 134 MET H H 1 7.77 0.01 . 1 . . . . 134 MET H . 17507 1 609 . 1 1 134 134 MET C C 13 178.22 0.30 . 1 . . . . 134 MET C . 17507 1 610 . 1 1 134 134 MET CA C 13 53.17 0.30 . 1 . . . . 134 MET CA . 17507 1 611 . 1 1 134 134 MET CB C 13 29.99 0.30 . 1 . . . . 134 MET CB . 17507 1 612 . 1 1 134 134 MET N N 15 110.00 0.15 . 1 . . . . 134 MET N . 17507 1 613 . 1 1 135 135 ASN H H 1 7.36 0.01 . 1 . . . . 135 ASN H . 17507 1 614 . 1 1 135 135 ASN C C 13 177.13 0.30 . 1 . . . . 135 ASN C . 17507 1 615 . 1 1 135 135 ASN CA C 13 55.42 0.30 . 1 . . . . 135 ASN CA . 17507 1 616 . 1 1 135 135 ASN CB C 13 38.20 0.30 . 1 . . . . 135 ASN CB . 17507 1 617 . 1 1 135 135 ASN N N 15 122.98 0.15 . 1 . . . . 135 ASN N . 17507 1 618 . 1 1 136 136 GLY H H 1 9.23 0.01 . 1 . . . . 136 GLY H . 17507 1 619 . 1 1 136 136 GLY C C 13 174.31 0.30 . 1 . . . . 136 GLY C . 17507 1 620 . 1 1 136 136 GLY CA C 13 44.65 0.30 . 1 . . . . 136 GLY CA . 17507 1 621 . 1 1 136 136 GLY N N 15 120.38 0.15 . 1 . . . . 136 GLY N . 17507 1 622 . 1 1 137 137 GLY H H 1 8.30 0.01 . 1 . . . . 137 GLY H . 17507 1 623 . 1 1 137 137 GLY C C 13 175.50 0.30 . 1 . . . . 137 GLY C . 17507 1 624 . 1 1 137 137 GLY CA C 13 47.18 0.30 . 1 . . . . 137 GLY CA . 17507 1 625 . 1 1 137 137 GLY N N 15 108.05 0.15 . 1 . . . . 137 GLY N . 17507 1 626 . 1 1 138 138 HIS H H 1 8.73 0.01 . 1 . . . . 138 HIS H . 17507 1 627 . 1 1 138 138 HIS C C 13 171.33 0.30 . 1 . . . . 138 HIS C . 17507 1 628 . 1 1 138 138 HIS CA C 13 55.78 0.30 . 1 . . . . 138 HIS CA . 17507 1 629 . 1 1 138 138 HIS CB C 13 27.12 0.30 . 1 . . . . 138 HIS CB . 17507 1 630 . 1 1 138 138 HIS N N 15 115.62 0.15 . 1 . . . . 138 HIS N . 17507 1 631 . 1 1 139 139 TYR H H 1 7.11 0.01 . 1 . . . . 139 TYR H . 17507 1 632 . 1 1 139 139 TYR C C 13 174.58 0.30 . 1 . . . . 139 TYR C . 17507 1 633 . 1 1 139 139 TYR CA C 13 56.15 0.30 . 1 . . . . 139 TYR CA . 17507 1 634 . 1 1 139 139 TYR CB C 13 43.24 0.30 . 1 . . . . 139 TYR CB . 17507 1 635 . 1 1 139 139 TYR N N 15 113.68 0.15 . 1 . . . . 139 TYR N . 17507 1 636 . 1 1 140 140 THR H H 1 8.53 0.01 . 1 . . . . 140 THR H . 17507 1 637 . 1 1 140 140 THR C C 13 172.55 0.30 . 1 . . . . 140 THR C . 17507 1 638 . 1 1 140 140 THR CA C 13 61.78 0.30 . 1 . . . . 140 THR CA . 17507 1 639 . 1 1 140 140 THR CB C 13 70.29 0.30 . 1 . . . . 140 THR CB . 17507 1 640 . 1 1 140 140 THR N N 15 116.55 0.15 . 1 . . . . 140 THR N . 17507 1 641 . 1 1 141 141 TYR H H 1 8.94 0.01 . 1 . . . . 141 TYR H . 17507 1 642 . 1 1 141 141 TYR C C 13 174.90 0.30 . 1 . . . . 141 TYR C . 17507 1 643 . 1 1 141 141 TYR CA C 13 59.64 0.30 . 1 . . . . 141 TYR CA . 17507 1 644 . 1 1 141 141 TYR CB C 13 39.36 0.30 . 1 . . . . 141 TYR CB . 17507 1 645 . 1 1 141 141 TYR N N 15 126.74 0.15 . 1 . . . . 141 TYR N . 17507 1 646 . 1 1 142 142 SER H H 1 7.84 0.01 . 1 . . . . 142 SER H . 17507 1 647 . 1 1 142 142 SER C C 13 172.51 0.30 . 1 . . . . 142 SER C . 17507 1 648 . 1 1 142 142 SER CA C 13 54.57 0.30 . 1 . . . . 142 SER CA . 17507 1 649 . 1 1 142 142 SER CB C 13 65.22 0.30 . 1 . . . . 142 SER CB . 17507 1 650 . 1 1 142 142 SER N N 15 122.34 0.15 . 1 . . . . 142 SER N . 17507 1 651 . 1 1 143 143 GLU H H 1 8.54 0.01 . 1 . . . . 143 GLU H . 17507 1 652 . 1 1 143 143 GLU C C 13 175.64 0.30 . 1 . . . . 143 GLU C . 17507 1 653 . 1 1 143 143 GLU CA C 13 54.68 0.30 . 1 . . . . 143 GLU CA . 17507 1 654 . 1 1 143 143 GLU CB C 13 28.67 0.30 . 1 . . . . 143 GLU CB . 17507 1 655 . 1 1 143 143 GLU N N 15 122.22 0.15 . 1 . . . . 143 GLU N . 17507 1 656 . 1 1 144 144 ASN H H 1 7.88 0.01 . 1 . . . . 144 ASN H . 17507 1 657 . 1 1 144 144 ASN C C 13 173.94 0.30 . 1 . . . . 144 ASN C . 17507 1 658 . 1 1 144 144 ASN CA C 13 53.34 0.30 . 1 . . . . 144 ASN CA . 17507 1 659 . 1 1 144 144 ASN CB C 13 38.22 0.30 . 1 . . . . 144 ASN CB . 17507 1 660 . 1 1 144 144 ASN N N 15 120.04 0.15 . 1 . . . . 144 ASN N . 17507 1 661 . 1 1 145 145 ARG H H 1 8.21 0.01 . 1 . . . . 145 ARG H . 17507 1 662 . 1 1 145 145 ARG C C 13 177.73 0.30 . 1 . . . . 145 ARG C . 17507 1 663 . 1 1 145 145 ARG CA C 13 60.47 0.30 . 1 . . . . 145 ARG CA . 17507 1 664 . 1 1 145 145 ARG CB C 13 30.41 0.30 . 1 . . . . 145 ARG CB . 17507 1 665 . 1 1 145 145 ARG N N 15 116.74 0.15 . 1 . . . . 145 ARG N . 17507 1 666 . 1 1 146 146 VAL H H 1 7.77 0.01 . 1 . . . . 146 VAL H . 17507 1 667 . 1 1 146 146 VAL C C 13 172.74 0.30 . 1 . . . . 146 VAL C . 17507 1 668 . 1 1 146 146 VAL CA C 13 61.45 0.30 . 1 . . . . 146 VAL CA . 17507 1 669 . 1 1 146 146 VAL CB C 13 34.29 0.30 . 1 . . . . 146 VAL CB . 17507 1 670 . 1 1 146 146 VAL N N 15 117.42 0.15 . 1 . . . . 146 VAL N . 17507 1 671 . 1 1 147 147 GLU H H 1 9.23 0.01 . 1 . . . . 147 GLU H . 17507 1 672 . 1 1 147 147 GLU C C 13 172.83 0.30 . 1 . . . . 147 GLU C . 17507 1 673 . 1 1 147 147 GLU CA C 13 53.42 0.30 . 1 . . . . 147 GLU CA . 17507 1 674 . 1 1 147 147 GLU CB C 13 32.29 0.30 . 1 . . . . 147 GLU CB . 17507 1 675 . 1 1 147 147 GLU N N 15 127.78 0.15 . 1 . . . . 147 GLU N . 17507 1 676 . 1 1 148 148 LYS H H 1 8.78 0.01 . 1 . . . . 148 LYS H . 17507 1 677 . 1 1 148 148 LYS C C 13 174.24 0.30 . 1 . . . . 148 LYS C . 17507 1 678 . 1 1 148 148 LYS CA C 13 55.71 0.30 . 1 . . . . 148 LYS CA . 17507 1 679 . 1 1 148 148 LYS CB C 13 34.37 0.30 . 1 . . . . 148 LYS CB . 17507 1 680 . 1 1 148 148 LYS N N 15 127.95 0.15 . 1 . . . . 148 LYS N . 17507 1 681 . 1 1 149 149 ASP H H 1 8.81 0.01 . 1 . . . . 149 ASP H . 17507 1 682 . 1 1 149 149 ASP C C 13 176.27 0.30 . 1 . . . . 149 ASP C . 17507 1 683 . 1 1 149 149 ASP CA C 13 52.86 0.30 . 1 . . . . 149 ASP CA . 17507 1 684 . 1 1 149 149 ASP CB C 13 42.44 0.30 . 1 . . . . 149 ASP CB . 17507 1 685 . 1 1 149 149 ASP N N 15 128.64 0.15 . 1 . . . . 149 ASP N . 17507 1 686 . 1 1 150 150 GLY H H 1 8.87 0.01 . 1 . . . . 150 GLY H . 17507 1 687 . 1 1 150 150 GLY C C 13 174.39 0.30 . 1 . . . . 150 GLY C . 17507 1 688 . 1 1 150 150 GLY CA C 13 47.26 0.30 . 1 . . . . 150 GLY CA . 17507 1 689 . 1 1 150 150 GLY N N 15 115.46 0.15 . 1 . . . . 150 GLY N . 17507 1 690 . 1 1 151 151 LEU H H 1 8.91 0.01 . 1 . . . . 151 LEU H . 17507 1 691 . 1 1 151 151 LEU C C 13 174.41 0.30 . 1 . . . . 151 LEU C . 17507 1 692 . 1 1 151 151 LEU CA C 13 54.49 0.30 . 1 . . . . 151 LEU CA . 17507 1 693 . 1 1 151 151 LEU CB C 13 40.16 0.30 . 1 . . . . 151 LEU CB . 17507 1 694 . 1 1 151 151 LEU N N 15 128.65 0.15 . 1 . . . . 151 LEU N . 17507 1 695 . 1 1 152 152 ILE H H 1 7.79 0.01 . 1 . . . . 152 ILE H . 17507 1 696 . 1 1 152 152 ILE C C 13 174.52 0.30 . 1 . . . . 152 ILE C . 17507 1 697 . 1 1 152 152 ILE CA C 13 59.10 0.30 . 1 . . . . 152 ILE CA . 17507 1 698 . 1 1 152 152 ILE CB C 13 36.27 0.30 . 1 . . . . 152 ILE CB . 17507 1 699 . 1 1 152 152 ILE N N 15 118.87 0.15 . 1 . . . . 152 ILE N . 17507 1 700 . 1 1 153 153 LEU H H 1 9.33 0.01 . 1 . . . . 153 LEU H . 17507 1 701 . 1 1 153 153 LEU C C 13 175.98 0.30 . 1 . . . . 153 LEU C . 17507 1 702 . 1 1 153 153 LEU CA C 13 54.01 0.30 . 1 . . . . 153 LEU CA . 17507 1 703 . 1 1 153 153 LEU CB C 13 45.50 0.30 . 1 . . . . 153 LEU CB . 17507 1 704 . 1 1 153 153 LEU N N 15 135.12 0.15 . 1 . . . . 153 LEU N . 17507 1 705 . 1 1 154 154 THR H H 1 9.73 0.01 . 1 . . . . 154 THR H . 17507 1 706 . 1 1 154 154 THR C C 13 174.23 0.30 . 1 . . . . 154 THR C . 17507 1 707 . 1 1 154 154 THR CA C 13 58.58 0.30 . 1 . . . . 154 THR CA . 17507 1 708 . 1 1 154 154 THR CB C 13 72.92 0.30 . 1 . . . . 154 THR CB . 17507 1 709 . 1 1 154 154 THR N N 15 115.75 0.15 . 1 . . . . 154 THR N . 17507 1 710 . 1 1 155 155 SER H H 1 7.29 0.01 . 1 . . . . 155 SER H . 17507 1 711 . 1 1 155 155 SER C C 13 175.57 0.30 . 1 . . . . 155 SER C . 17507 1 712 . 1 1 155 155 SER CA C 13 55.96 0.30 . 1 . . . . 155 SER CA . 17507 1 713 . 1 1 155 155 SER CB C 13 65.52 0.30 . 1 . . . . 155 SER CB . 17507 1 714 . 1 1 155 155 SER N N 15 108.52 0.15 . 1 . . . . 155 SER N . 17507 1 715 . 1 1 156 156 ARG H H 1 6.82 0.01 . 1 . . . . 156 ARG H . 17507 1 716 . 1 1 156 156 ARG C C 13 174.97 0.30 . 1 . . . . 156 ARG C . 17507 1 717 . 1 1 156 156 ARG CA C 13 61.98 0.30 . 1 . . . . 156 ARG CA . 17507 1 718 . 1 1 156 156 ARG CB C 13 32.89 0.30 . 1 . . . . 156 ARG CB . 17507 1 719 . 1 1 156 156 ARG N N 15 122.28 0.15 . 1 . . . . 156 ARG N . 17507 1 720 . 1 1 157 157 GLY H H 1 8.65 0.01 . 1 . . . . 157 GLY H . 17507 1 721 . 1 1 157 157 GLY C C 13 171.25 0.30 . 1 . . . . 157 GLY C . 17507 1 722 . 1 1 157 157 GLY CA C 13 47.17 0.30 . 1 . . . . 157 GLY CA . 17507 1 723 . 1 1 157 157 GLY N N 15 102.28 0.15 . 1 . . . . 157 GLY N . 17507 1 724 . 1 1 158 158 PRO C C 13 179.75 0.30 . 1 . . . . 158 PRO C . 17507 1 725 . 1 1 158 158 PRO CA C 13 66.30 0.30 . 1 . . . . 158 PRO CA . 17507 1 726 . 1 1 158 158 PRO CB C 13 32.38 0.30 . 1 . . . . 158 PRO CB . 17507 1 727 . 1 1 159 159 GLY H H 1 9.48 0.01 . 1 . . . . 159 GLY H . 17507 1 728 . 1 1 159 159 GLY C C 13 174.42 0.30 . 1 . . . . 159 GLY C . 17507 1 729 . 1 1 159 159 GLY CA C 13 45.66 0.30 . 1 . . . . 159 GLY CA . 17507 1 730 . 1 1 159 159 GLY N N 15 102.61 0.15 . 1 . . . . 159 GLY N . 17507 1 731 . 1 1 160 160 THR H H 1 8.02 0.01 . 1 . . . . 160 THR H . 17507 1 732 . 1 1 160 160 THR C C 13 176.10 0.30 . 1 . . . . 160 THR C . 17507 1 733 . 1 1 160 160 THR CA C 13 61.73 0.30 . 1 . . . . 160 THR CA . 17507 1 734 . 1 1 160 160 THR CB C 13 68.15 0.30 . 1 . . . . 160 THR CB . 17507 1 735 . 1 1 160 160 THR N N 15 110.07 0.15 . 1 . . . . 160 THR N . 17507 1 736 . 1 1 161 161 SER H H 1 7.83 0.01 . 1 . . . . 161 SER H . 17507 1 737 . 1 1 161 161 SER C C 13 176.37 0.30 . 1 . . . . 161 SER C . 17507 1 738 . 1 1 161 161 SER N N 15 117.68 0.15 . 1 . . . . 161 SER N . 17507 1 739 . 1 1 162 162 PHE H H 1 8.58 0.01 . 1 . . . . 162 PHE H . 17507 1 740 . 1 1 162 162 PHE C C 13 177.51 0.30 . 1 . . . . 162 PHE C . 17507 1 741 . 1 1 162 162 PHE CA C 13 63.36 0.30 . 1 . . . . 162 PHE CA . 17507 1 742 . 1 1 162 162 PHE CB C 13 38.05 0.30 . 1 . . . . 162 PHE CB . 17507 1 743 . 1 1 162 162 PHE N N 15 119.79 0.15 . 1 . . . . 162 PHE N . 17507 1 744 . 1 1 163 163 GLU H H 1 8.44 0.01 . 1 . . . . 163 GLU H . 17507 1 745 . 1 1 163 163 GLU C C 13 179.35 0.30 . 1 . . . . 163 GLU C . 17507 1 746 . 1 1 163 163 GLU CA C 13 60.05 0.30 . 1 . . . . 163 GLU CA . 17507 1 747 . 1 1 163 163 GLU CB C 13 29.05 0.30 . 1 . . . . 163 GLU CB . 17507 1 748 . 1 1 163 163 GLU N N 15 120.61 0.15 . 1 . . . . 163 GLU N . 17507 1 749 . 1 1 164 164 PHE H H 1 8.79 0.01 . 1 . . . . 164 PHE H . 17507 1 750 . 1 1 164 164 PHE C C 13 175.02 0.30 . 1 . . . . 164 PHE C . 17507 1 751 . 1 1 164 164 PHE CA C 13 59.54 0.30 . 1 . . . . 164 PHE CA . 17507 1 752 . 1 1 164 164 PHE CB C 13 39.64 0.30 . 1 . . . . 164 PHE CB . 17507 1 753 . 1 1 164 164 PHE N N 15 120.94 0.15 . 1 . . . . 164 PHE N . 17507 1 754 . 1 1 165 165 ALA H H 1 8.41 0.01 . 1 . . . . 165 ALA H . 17507 1 755 . 1 1 165 165 ALA C C 13 179.14 0.30 . 1 . . . . 165 ALA C . 17507 1 756 . 1 1 165 165 ALA CA C 13 54.86 0.30 . 1 . . . . 165 ALA CA . 17507 1 757 . 1 1 165 165 ALA CB C 13 18.88 0.30 . 1 . . . . 165 ALA CB . 17507 1 758 . 1 1 165 165 ALA N N 15 119.85 0.15 . 1 . . . . 165 ALA N . 17507 1 759 . 1 1 166 166 LEU H H 1 8.72 0.01 . 1 . . . . 166 LEU H . 17507 1 760 . 1 1 166 166 LEU C C 13 178.54 0.30 . 1 . . . . 166 LEU C . 17507 1 761 . 1 1 166 166 LEU CA C 13 57.51 0.30 . 1 . . . . 166 LEU CA . 17507 1 762 . 1 1 166 166 LEU CB C 13 40.03 0.30 . 1 . . . . 166 LEU CB . 17507 1 763 . 1 1 166 166 LEU N N 15 116.79 0.15 . 1 . . . . 166 LEU N . 17507 1 764 . 1 1 167 167 ALA H H 1 8.04 0.01 . 1 . . . . 167 ALA H . 17507 1 765 . 1 1 167 167 ALA C C 13 180.92 0.30 . 1 . . . . 167 ALA C . 17507 1 766 . 1 1 167 167 ALA CA C 13 54.63 0.30 . 1 . . . . 167 ALA CA . 17507 1 767 . 1 1 167 167 ALA CB C 13 17.80 0.30 . 1 . . . . 167 ALA CB . 17507 1 768 . 1 1 167 167 ALA N N 15 123.61 0.15 . 1 . . . . 167 ALA N . 17507 1 769 . 1 1 168 168 ILE H H 1 7.58 0.01 . 1 . . . . 168 ILE H . 17507 1 770 . 1 1 168 168 ILE C C 13 177.12 0.30 . 1 . . . . 168 ILE C . 17507 1 771 . 1 1 168 168 ILE CA C 13 65.75 0.30 . 1 . . . . 168 ILE CA . 17507 1 772 . 1 1 168 168 ILE CB C 13 37.23 0.30 . 1 . . . . 168 ILE CB . 17507 1 773 . 1 1 168 168 ILE N N 15 120.77 0.15 . 1 . . . . 168 ILE N . 17507 1 774 . 1 1 169 169 VAL H H 1 7.83 0.01 . 1 . . . . 169 VAL H . 17507 1 775 . 1 1 169 169 VAL C C 13 177.58 0.30 . 1 . . . . 169 VAL C . 17507 1 776 . 1 1 169 169 VAL CA C 13 66.95 0.30 . 1 . . . . 169 VAL CA . 17507 1 777 . 1 1 169 169 VAL CB C 13 30.49 0.30 . 1 . . . . 169 VAL CB . 17507 1 778 . 1 1 169 169 VAL N N 15 117.82 0.15 . 1 . . . . 169 VAL N . 17507 1 779 . 1 1 170 170 GLU H H 1 8.76 0.01 . 1 . . . . 170 GLU H . 17507 1 780 . 1 1 170 170 GLU C C 13 178.61 0.30 . 1 . . . . 170 GLU C . 17507 1 781 . 1 1 170 170 GLU CA C 13 59.2 0.30 . 1 . . . . 170 GLU CA . 17507 1 782 . 1 1 170 170 GLU CB C 13 38.75 0.30 . 1 . . . . 170 GLU CB . 17507 1 783 . 1 1 170 170 GLU N N 15 120.20 0.15 . 1 . . . . 170 GLU N . 17507 1 784 . 1 1 171 171 ALA H H 1 7.84 0.01 . 1 . . . . 171 ALA H . 17507 1 785 . 1 1 171 171 ALA C C 13 178.75 0.30 . 1 . . . . 171 ALA C . 17507 1 786 . 1 1 171 171 ALA CA C 13 54.47 0.30 . 1 . . . . 171 ALA CA . 17507 1 787 . 1 1 171 171 ALA CB C 13 28.8 0.30 . 1 . . . . 171 ALA CB . 17507 1 788 . 1 1 171 171 ALA N N 15 121.13 0.15 . 1 . . . . 171 ALA N . 17507 1 789 . 1 1 172 172 LEU H H 1 7.85 0.01 . 1 . . . . 172 LEU H . 17507 1 790 . 1 1 172 172 LEU C C 13 177.40 0.30 . 1 . . . . 172 LEU C . 17507 1 791 . 1 1 172 172 LEU CA C 13 56.97 0.30 . 1 . . . . 172 LEU CA . 17507 1 792 . 1 1 172 172 LEU CB C 13 41.67 0.30 . 1 . . . . 172 LEU CB . 17507 1 793 . 1 1 172 172 LEU N N 15 115.75 0.15 . 1 . . . . 172 LEU N . 17507 1 794 . 1 1 173 173 ASN H H 1 8.96 0.01 . 1 . . . . 173 ASN H . 17507 1 795 . 1 1 173 173 ASN C C 13 176.17 0.30 . 1 . . . . 173 ASN C . 17507 1 796 . 1 1 173 173 ASN CA C 13 53.08 0.30 . 1 . . . . 173 ASN CA . 17507 1 797 . 1 1 173 173 ASN CB C 13 41.01 0.30 . 1 . . . . 173 ASN CB . 17507 1 798 . 1 1 173 173 ASN N N 15 114.98 0.15 . 1 . . . . 173 ASN N . 17507 1 799 . 1 1 174 174 GLY H H 1 7.93 0.01 . 1 . . . . 174 GLY H . 17507 1 800 . 1 1 174 174 GLY C C 13 174.06 0.30 . 1 . . . . 174 GLY C . 17507 1 801 . 1 1 174 174 GLY CA C 13 44.74 0.30 . 1 . . . . 174 GLY CA . 17507 1 802 . 1 1 174 174 GLY N N 15 110.55 0.15 . 1 . . . . 174 GLY N . 17507 1 803 . 1 1 175 175 LYS H H 1 8.69 0.01 . 1 . . . . 175 LYS H . 17507 1 804 . 1 1 175 175 LYS C C 13 178.63 0.30 . 1 . . . . 175 LYS C . 17507 1 805 . 1 1 175 175 LYS CA C 13 59.62 0.30 . 1 . . . . 175 LYS CA . 17507 1 806 . 1 1 175 175 LYS CB C 13 32.28 0.30 . 1 . . . . 175 LYS CB . 17507 1 807 . 1 1 175 175 LYS N N 15 118.35 0.15 . 1 . . . . 175 LYS N . 17507 1 808 . 1 1 176 176 GLU H H 1 8.78 0.01 . 1 . . . . 176 GLU H . 17507 1 809 . 1 1 176 176 GLU C C 13 179.36 0.30 . 1 . . . . 176 GLU C . 17507 1 810 . 1 1 176 176 GLU CA C 13 59.67 0.30 . 1 . . . . 176 GLU CA . 17507 1 811 . 1 1 176 176 GLU CB C 13 27.68 0.30 . 1 . . . . 176 GLU CB . 17507 1 812 . 1 1 176 176 GLU N N 15 121.42 0.15 . 1 . . . . 176 GLU N . 17507 1 813 . 1 1 177 177 VAL H H 1 8.04 0.01 . 1 . . . . 177 VAL H . 17507 1 814 . 1 1 177 177 VAL C C 13 178.01 0.30 . 1 . . . . 177 VAL C . 17507 1 815 . 1 1 177 177 VAL CA C 13 65.68 0.30 . 1 . . . . 177 VAL CA . 17507 1 816 . 1 1 177 177 VAL CB C 13 30.67 0.30 . 1 . . . . 177 VAL CB . 17507 1 817 . 1 1 177 177 VAL N N 15 121.01 0.15 . 1 . . . . 177 VAL N . 17507 1 818 . 1 1 178 178 ALA H H 1 7.50 0.01 . 1 . . . . 178 ALA H . 17507 1 819 . 1 1 178 178 ALA C C 13 178.28 0.30 . 1 . . . . 178 ALA C . 17507 1 820 . 1 1 178 178 ALA CA C 13 55.72 0.30 . 1 . . . . 178 ALA CA . 17507 1 821 . 1 1 178 178 ALA CB C 13 17.25 0.30 . 1 . . . . 178 ALA CB . 17507 1 822 . 1 1 178 178 ALA N N 15 120.14 0.15 . 1 . . . . 178 ALA N . 17507 1 823 . 1 1 179 179 ALA H H 1 8.01 0.01 . 1 . . . . 179 ALA H . 17507 1 824 . 1 1 179 179 ALA C C 13 180.88 0.30 . 1 . . . . 179 ALA C . 17507 1 825 . 1 1 179 179 ALA CA C 13 55.10 0.30 . 1 . . . . 179 ALA CA . 17507 1 826 . 1 1 179 179 ALA CB C 13 17.52 0.30 . 1 . . . . 179 ALA CB . 17507 1 827 . 1 1 179 179 ALA N N 15 118.87 0.15 . 1 . . . . 179 ALA N . 17507 1 828 . 1 1 180 180 GLN H H 1 7.91 0.01 . 1 . . . . 180 GLN H . 17507 1 829 . 1 1 180 180 GLN C C 13 179.20 0.30 . 1 . . . . 180 GLN C . 17507 1 830 . 1 1 180 180 GLN CA C 13 58.24 0.30 . 1 . . . . 180 GLN CA . 17507 1 831 . 1 1 180 180 GLN CB C 13 27.77 0.30 . 1 . . . . 180 GLN CB . 17507 1 832 . 1 1 180 180 GLN N N 15 118.99 0.15 . 1 . . . . 180 GLN N . 17507 1 833 . 1 1 181 181 VAL H H 1 8.19 0.01 . 1 . . . . 181 VAL H . 17507 1 834 . 1 1 181 181 VAL C C 13 177.19 0.30 . 1 . . . . 181 VAL C . 17507 1 835 . 1 1 181 181 VAL CA C 13 64.23 0.30 . 1 . . . . 181 VAL CA . 17507 1 836 . 1 1 181 181 VAL CB C 13 31.03 0.30 . 1 . . . . 181 VAL CB . 17507 1 837 . 1 1 181 181 VAL N N 15 118.70 0.15 . 1 . . . . 181 VAL N . 17507 1 838 . 1 1 182 182 LYS H H 1 8.05 0.01 . 1 . . . . 182 LYS H . 17507 1 839 . 1 1 182 182 LYS C C 13 179.27 0.30 . 1 . . . . 182 LYS C . 17507 1 840 . 1 1 182 182 LYS CA C 13 59.17 0.30 . 1 . . . . 182 LYS CA . 17507 1 841 . 1 1 182 182 LYS CB C 13 32.53 0.30 . 1 . . . . 182 LYS CB . 17507 1 842 . 1 1 182 182 LYS N N 15 117.77 0.15 . 1 . . . . 182 LYS N . 17507 1 843 . 1 1 183 183 ALA H H 1 7.33 0.01 . 1 . . . . 183 ALA H . 17507 1 844 . 1 1 183 183 ALA C C 13 177.15 0.30 . 1 . . . . 183 ALA C . 17507 1 845 . 1 1 183 183 ALA CA C 13 57.08 0.30 . 1 . . . . 183 ALA CA . 17507 1 846 . 1 1 183 183 ALA CB C 13 15.24 0.30 . 1 . . . . 183 ALA CB . 17507 1 847 . 1 1 183 183 ALA N N 15 121.70 0.15 . 1 . . . . 183 ALA N . 17507 1 848 . 1 1 184 184 PRO C C 13 178.72 0.30 . 1 . . . . 184 PRO C . 17507 1 849 . 1 1 184 184 PRO CA C 13 64.37 0.30 . 1 . . . . 184 PRO CA . 17507 1 850 . 1 1 184 184 PRO CB C 13 30.92 0.30 . 1 . . . . 184 PRO CB . 17507 1 851 . 1 1 185 185 LEU H H 1 7.86 0.01 . 1 . . . . 185 LEU H . 17507 1 852 . 1 1 185 185 LEU C C 13 176.44 0.30 . 1 . . . . 185 LEU C . 17507 1 853 . 1 1 185 185 LEU CA C 13 56.09 0.30 . 1 . . . . 185 LEU CA . 17507 1 854 . 1 1 185 185 LEU CB C 13 40.80 0.30 . 1 . . . . 185 LEU CB . 17507 1 855 . 1 1 185 185 LEU N N 15 116.10 0.15 . 1 . . . . 185 LEU N . 17507 1 856 . 1 1 186 186 VAL H H 1 7.79 0.01 . 1 . . . . 186 VAL H . 17507 1 857 . 1 1 186 186 VAL C C 13 175.71 0.30 . 1 . . . . 186 VAL C . 17507 1 858 . 1 1 186 186 VAL CA C 13 63.14 0.30 . 1 . . . . 186 VAL CA . 17507 1 859 . 1 1 186 186 VAL CB C 13 28.55 0.30 . 1 . . . . 186 VAL CB . 17507 1 860 . 1 1 186 186 VAL N N 15 117.08 0.15 . 1 . . . . 186 VAL N . 17507 1 861 . 1 1 187 187 LEU H H 1 8.46 0.01 . 1 . . . . 187 LEU H . 17507 1 862 . 1 1 187 187 LEU C C 13 177.03 0.30 . 1 . . . . 187 LEU C . 17507 1 863 . 1 1 187 187 LEU CA C 13 54.42 0.30 . 1 . . . . 187 LEU CA . 17507 1 864 . 1 1 187 187 LEU CB C 13 41.91 0.30 . 1 . . . . 187 LEU CB . 17507 1 865 . 1 1 187 187 LEU N N 15 120.64 0.15 . 1 . . . . 187 LEU N . 17507 1 866 . 1 1 188 188 LYS H H 1 8.40 0.01 . 1 . . . . 188 LYS H . 17507 1 867 . 1 1 188 188 LYS C C 13 175.83 0.30 . 1 . . . . 188 LYS C . 17507 1 868 . 1 1 188 188 LYS CA C 13 56.49 0.30 . 1 . . . . 188 LYS CA . 17507 1 869 . 1 1 188 188 LYS CB C 13 32.53 0.30 . 1 . . . . 188 LYS CB . 17507 1 870 . 1 1 188 188 LYS N N 15 122.86 0.15 . 1 . . . . 188 LYS N . 17507 1 871 . 1 1 189 189 ASP H H 1 8.53 0.01 . 1 . . . . 189 ASP H . 17507 1 872 . 1 1 189 189 ASP C C 13 175.80 0.30 . 1 . . . . 189 ASP C . 17507 1 873 . 1 1 189 189 ASP CA C 13 54.28 0.30 . 1 . . . . 189 ASP CA . 17507 1 874 . 1 1 189 189 ASP CB C 13 41.16 0.30 . 1 . . . . 189 ASP CB . 17507 1 875 . 1 1 189 189 ASP N N 15 124.08 0.15 . 1 . . . . 189 ASP N . 17507 1 stop_ save_