data_15170 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15170 _Entry.Title ; Backbone assignments of DNA methyltransferase M.HhaI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-09 _Entry.Accession_date 2007-03-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hongjun Zhou . . . 15170 2 Whitney Shatz . . . 15170 3 Matthew Purdy . . . 15170 4 Nick Fera . . . 15170 5 Frederick Dahlquist . . . 15170 6 Norbert Reich . . . 15170 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15170 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 15170 '15N chemical shifts' 242 15170 '1H chemical shifts' 242 15170 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-02 2007-03-09 update BMRB 'complete entry citation' 15170 1 . . 2007-06-06 2007-03-09 original author 'original release' 15170 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15170 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17523600 _Citation.Full_citation . _Citation.Title 'Long-range structural and dynamical changes induced by cofactor binding in DNA methyltransferase M.HhaI.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 24 _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 7261 _Citation.Page_last 7268 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hongjun Zhou . . . 15170 1 2 Whitney Shatz . . . 15170 1 3 Matthew Purdy . . . 15170 1 4 Nick Fera . . . 15170 1 5 Frederick Dahlquist . . . 15170 1 6 Norbert Reich . . . 15170 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 15170 1 HhaI 15170 1 methyltransferase 15170 1 SAH 15170 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15170 _Assembly.ID 1 _Assembly.Name 'M.HhaI monomer' _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 monomer 1 $M.HhaI A . yes native no no . . . 15170 1 2 SAH 2 $SAH A . no native no no . . . 15170 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M.HhaI _Entity.Sf_category entity _Entity.Sf_framecode M.HhaI _Entity.Entry_ID 15170 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M.HhaI _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 ; MIEIKDKQLTGLRFIDLFAG LGGFRLALESCGAECVYSNE WDKYAQEVYEMNFGEKPEGD ITQVNEKTIPDHDILCAGFP CQAFSISGKQKGFEDSRGTL FFDIARIVREKKPKVVFMEN VKNFASHDNGNTLEVVKNTM NELDYSFHAKVLNALDYGIP QKRERIYMICFRNDLNIQNF QFPKPFELNTFVKDLLLPDS EVEHLVIDRKDLVMTNQEIE QTTPKTVRLGIVGKGGQGER IYSTRGIAITLSAYGGGIFA KTGGYLVNGKTRKLHPRECA RVMGYPDSYKVHPSTSQAYK QFGNSVVINVLQYIAYNIGS SLNLEHHHHHH ; _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 331 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16395 . M.HhaI . . . . . 100.00 331 100.00 100.00 0.00e+00 . . . . 15170 1 2 no PDB 10MH . "Ternary Structure Of Hhai Methyltransferase With Adohcy And Hemimethylated Dna Containing 5,6-Dihydro-5-Azacytosine At The Targ" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 3 no PDB 1FJX . "Structure Of Ternary Complex Of Hhai Methyltransferase Mutant (T250g) In Complex With Dna And Adohcy" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 4 no PDB 1HMY . "Crystal Structure Of The Hhai Dna Methyltransferase Complexed With S- Adenosyl-L-Methionine" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 5 no PDB 1M0E . "Zebularine: A Novel Dna Methylation Inhibitor That Forms A Covalent Complex With Dna Methyltransferase" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 6 no PDB 1MHT . "Covalent Ternary Structure Of Hhai Methyltransferase, Dna And S-Adenosyl-L-Homocysteine" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 7 no PDB 1SKM . "Hhai Methyltransferase In Complex With Dna Containing An Abasic South Carbocyclic Sugar At Its Target Site" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 8 no PDB 1SVU . "Structure Of The Q237w Mutant Of Hhai Dna Methyltransferase: An Insight Into Protein-Protein Interactions" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 9 no PDB 2C7O . "Hhai Dna Methyltransferase Complex With 13mer Oligonucleotide Containing 2-aminopurine Adjacent To The Target Base (pcgc:gmgc) " . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 10 no PDB 2C7P . "Hhai Dna Methyltransferase Complex With Oligonucleotide Containing 2-aminopurine Opposite To The Target Base (gcgc:gmpc) And Sa" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 11 no PDB 2C7Q . "Hhai Dna Methyltransferase Complex With Oligonucleotide Containing 2-aminopurine Outside The Recognition Sequence (paired With " . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 12 no PDB 2C7R . "Hhai Dna Methyltransferase (t250g Mutant) Complex With Oligonucleotide Containing 2-aminopurine As A Target Base (gpgc:gmgc) An" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 13 no PDB 2HMY . "Binary Complex Of Hhai Methyltransferase With Adomet Formed In The Presence Of A Short Nonpsecific Dna Oligonucleotide" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 14 no PDB 2HR1 . "Ternary Structure Of Wt M.hhai C5-cytosine Dna Methyltransferase With Unmodified Dna And Adohcy" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 15 no PDB 2I9K . "Engineered Extrahelical Base Destabilization Enhances Sequence Discrimination Of Dna Methyltransferase M.Hhai" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 16 no PDB 2UYC . "Hhai Dna Methyltransferase R163n Mutant Complex With 13mer Gcgc-Gmgc Oligonucleotide And Sah" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 17 no PDB 2UYH . "Hhai Dna Methyltransferase S87q-Q237s Mutant Complex With 13mer Gcgc-Gmgc Oligonucleotide And Sah" . . . . . 98.79 327 98.17 98.78 0.00e+00 . . . . 15170 1 18 no PDB 2UZ4 . "Hhai Dna Methyltransferase R165n Mutant Complex With 13mer Gcgc-Gmgc Oligonucleotide And Sah" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 19 no PDB 2Z6A . "S-Adenosyl-L-Methionine-Dependent Methyl Transfer: Observable Precatalytic Intermediates During Dna Cytosine Methylation" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 20 no PDB 2Z6Q . "Ternary Structure Of Arg165ala M.Hhai C5-Cytosine Dna Methyltransferase With Unmodified Dna And Adohcy" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 21 no PDB 2Z6U . "Ternary Structure Of The Glu119ala M.Hhai, C5-Cytosine Dna Methyltransferase, With Unmodified Dna And Adohcy" . . . . . 98.79 327 98.47 99.08 0.00e+00 . . . . 15170 1 22 no PDB 2ZCJ . "Ternary Structure Of The Glu119gln M.Hhai, C5-Cytosine Dna Methyltransferase, With Unmodified Dna And Adohcy" . . . . . 98.79 327 98.47 99.39 0.00e+00 . . . . 15170 1 23 no PDB 3EEO . "M. Hhai Co-Crystallized With Synthetic Dsdna Containing A Propane Diol In Place Of The Deoxycytidine Residue Targeted For Methy" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 24 no PDB 3MHT . "Ternary Structure Of Hhai Methyltransferase With Unmodified Dna And Adohcy" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 25 no PDB 4MHT . "Ternary Structure Of Hhai Methyltransferase With Native Dna And Adohcy" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 26 no PDB 5MHT . "Ternary Structure Of Hhai Methyltransferase With Hemimethylated Dna And Adohcy" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 27 no PDB 6MHT . "Ternary Structure Of Hhai Methyltransferase With Adohcy And Dna Containing 4'-Thio-2'deoxycytidine At The Target" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 28 no PDB 7MHT . "Cytosine-Specific Methyltransferase HhaiDNA COMPLEX" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 29 no PDB 8MHT . "Cytosine-Specific Methyltransferase HhaiDNA COMPLEX" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 30 no PDB 9MHT . "Cytosine-specific Methyltransferase Hhai/dna Complex" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 31 no GB AAA24989 . "DNA methylase [Haemophilus haemolyticus]" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 32 no GB EIJ69210 . "modification methylase HhaI [Haemophilus parahaemolyticus HK385]" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 33 no REF WP_005706946 . "restriction endonuclease subunit M [Haemophilus parahaemolyticus]" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 1 34 no SP P05102 . "RecName: Full=Modification methylase HhaI; Short=M.HhaI; AltName: Full=Cytosine-specific methyltransferase HhaI" . . . . . 98.79 327 98.78 99.39 0.00e+00 . . . . 15170 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 . 15170 1 2 . ILE . 15170 1 3 . GLU . 15170 1 4 . ILE . 15170 1 5 . LYS . 15170 1 6 . ASP . 15170 1 7 . LYS . 15170 1 8 . GLN . 15170 1 9 . LEU . 15170 1 10 . THR . 15170 1 11 . GLY . 15170 1 12 . LEU . 15170 1 13 . ARG . 15170 1 14 . PHE . 15170 1 15 . ILE . 15170 1 16 . ASP . 15170 1 17 . LEU . 15170 1 18 . PHE . 15170 1 19 . ALA . 15170 1 20 . GLY . 15170 1 21 . LEU . 15170 1 22 . GLY . 15170 1 23 . GLY . 15170 1 24 . PHE . 15170 1 25 . ARG . 15170 1 26 . LEU . 15170 1 27 . ALA . 15170 1 28 . LEU . 15170 1 29 . GLU . 15170 1 30 . SER . 15170 1 31 . CYS . 15170 1 32 . GLY . 15170 1 33 . ALA . 15170 1 34 . GLU . 15170 1 35 . CYS . 15170 1 36 . VAL . 15170 1 37 . TYR . 15170 1 38 . SER . 15170 1 39 . ASN . 15170 1 40 . GLU . 15170 1 41 . TRP . 15170 1 42 . ASP . 15170 1 43 . LYS . 15170 1 44 . TYR . 15170 1 45 . ALA . 15170 1 46 . GLN . 15170 1 47 . GLU . 15170 1 48 . VAL . 15170 1 49 . TYR . 15170 1 50 . GLU . 15170 1 51 . MET . 15170 1 52 . ASN . 15170 1 53 . PHE . 15170 1 54 . GLY . 15170 1 55 . GLU . 15170 1 56 . LYS . 15170 1 57 . PRO . 15170 1 58 . GLU . 15170 1 59 . GLY . 15170 1 60 . ASP . 15170 1 61 . ILE . 15170 1 62 . THR . 15170 1 63 . GLN . 15170 1 64 . VAL . 15170 1 65 . ASN . 15170 1 66 . GLU . 15170 1 67 . LYS . 15170 1 68 . THR . 15170 1 69 . ILE . 15170 1 70 . PRO . 15170 1 71 . ASP . 15170 1 72 . HIS . 15170 1 73 . ASP . 15170 1 74 . ILE . 15170 1 75 . LEU . 15170 1 76 . CYS . 15170 1 77 . ALA . 15170 1 78 . GLY . 15170 1 79 . PHE . 15170 1 80 . PRO . 15170 1 81 . CYS . 15170 1 82 . GLN . 15170 1 83 . ALA . 15170 1 84 . PHE . 15170 1 85 . SER . 15170 1 86 . ILE . 15170 1 87 . SER . 15170 1 88 . GLY . 15170 1 89 . LYS . 15170 1 90 . GLN . 15170 1 91 . LYS . 15170 1 92 . GLY . 15170 1 93 . PHE . 15170 1 94 . GLU . 15170 1 95 . ASP . 15170 1 96 . SER . 15170 1 97 . ARG . 15170 1 98 . GLY . 15170 1 99 . THR . 15170 1 100 . LEU . 15170 1 101 . PHE . 15170 1 102 . PHE . 15170 1 103 . ASP . 15170 1 104 . ILE . 15170 1 105 . ALA . 15170 1 106 . ARG . 15170 1 107 . ILE . 15170 1 108 . VAL . 15170 1 109 . ARG . 15170 1 110 . GLU . 15170 1 111 . LYS . 15170 1 112 . LYS . 15170 1 113 . PRO . 15170 1 114 . LYS . 15170 1 115 . VAL . 15170 1 116 . VAL . 15170 1 117 . PHE . 15170 1 118 . MET . 15170 1 119 . GLU . 15170 1 120 . ASN . 15170 1 121 . VAL . 15170 1 122 . LYS . 15170 1 123 . ASN . 15170 1 124 . PHE . 15170 1 125 . ALA . 15170 1 126 . SER . 15170 1 127 . HIS . 15170 1 128 . ASP . 15170 1 129 . ASN . 15170 1 130 . GLY . 15170 1 131 . ASN . 15170 1 132 . THR . 15170 1 133 . LEU . 15170 1 134 . GLU . 15170 1 135 . VAL . 15170 1 136 . VAL . 15170 1 137 . LYS . 15170 1 138 . ASN . 15170 1 139 . THR . 15170 1 140 . MET . 15170 1 141 . ASN . 15170 1 142 . GLU . 15170 1 143 . LEU . 15170 1 144 . ASP . 15170 1 145 . TYR . 15170 1 146 . SER . 15170 1 147 . PHE . 15170 1 148 . HIS . 15170 1 149 . ALA . 15170 1 150 . LYS . 15170 1 151 . VAL . 15170 1 152 . LEU . 15170 1 153 . ASN . 15170 1 154 . ALA . 15170 1 155 . LEU . 15170 1 156 . ASP . 15170 1 157 . TYR . 15170 1 158 . GLY . 15170 1 159 . ILE . 15170 1 160 . PRO . 15170 1 161 . GLN . 15170 1 162 . LYS . 15170 1 163 . ARG . 15170 1 164 . GLU . 15170 1 165 . ARG . 15170 1 166 . ILE . 15170 1 167 . TYR . 15170 1 168 . MET . 15170 1 169 . ILE . 15170 1 170 . CYS . 15170 1 171 . PHE . 15170 1 172 . ARG . 15170 1 173 . ASN . 15170 1 174 . ASP . 15170 1 175 . LEU . 15170 1 176 . ASN . 15170 1 177 . ILE . 15170 1 178 . GLN . 15170 1 179 . ASN . 15170 1 180 . PHE . 15170 1 181 . GLN . 15170 1 182 . PHE . 15170 1 183 . PRO . 15170 1 184 . LYS . 15170 1 185 . PRO . 15170 1 186 . PHE . 15170 1 187 . GLU . 15170 1 188 . LEU . 15170 1 189 . ASN . 15170 1 190 . THR . 15170 1 191 . PHE . 15170 1 192 . VAL . 15170 1 193 . LYS . 15170 1 194 . ASP . 15170 1 195 . LEU . 15170 1 196 . LEU . 15170 1 197 . LEU . 15170 1 198 . PRO . 15170 1 199 . ASP . 15170 1 200 . SER . 15170 1 201 . GLU . 15170 1 202 . VAL . 15170 1 203 . GLU . 15170 1 204 . HIS . 15170 1 205 . LEU . 15170 1 206 . VAL . 15170 1 207 . ILE . 15170 1 208 . ASP . 15170 1 209 . ARG . 15170 1 210 . LYS . 15170 1 211 . ASP . 15170 1 212 . LEU . 15170 1 213 . VAL . 15170 1 214 . MET . 15170 1 215 . THR . 15170 1 216 . ASN . 15170 1 217 . GLN . 15170 1 218 . GLU . 15170 1 219 . ILE . 15170 1 220 . GLU . 15170 1 221 . GLN . 15170 1 222 . THR . 15170 1 223 . THR . 15170 1 224 . PRO . 15170 1 225 . LYS . 15170 1 226 . THR . 15170 1 227 . VAL . 15170 1 228 . ARG . 15170 1 229 . LEU . 15170 1 230 . GLY . 15170 1 231 . ILE . 15170 1 232 . VAL . 15170 1 233 . GLY . 15170 1 234 . LYS . 15170 1 235 . GLY . 15170 1 236 . GLY . 15170 1 237 . GLN . 15170 1 238 . GLY . 15170 1 239 . GLU . 15170 1 240 . ARG . 15170 1 241 . ILE . 15170 1 242 . TYR . 15170 1 243 . SER . 15170 1 244 . THR . 15170 1 245 . ARG . 15170 1 246 . GLY . 15170 1 247 . ILE . 15170 1 248 . ALA . 15170 1 249 . ILE . 15170 1 250 . THR . 15170 1 251 . LEU . 15170 1 252 . SER . 15170 1 253 . ALA . 15170 1 254 . TYR . 15170 1 255 . GLY . 15170 1 256 . GLY . 15170 1 257 . GLY . 15170 1 258 . ILE . 15170 1 259 . PHE . 15170 1 260 . ALA . 15170 1 261 . LYS . 15170 1 262 . THR . 15170 1 263 . GLY . 15170 1 264 . GLY . 15170 1 265 . TYR . 15170 1 266 . LEU . 15170 1 267 . VAL . 15170 1 268 . ASN . 15170 1 269 . GLY . 15170 1 270 . LYS . 15170 1 271 . THR . 15170 1 272 . ARG . 15170 1 273 . LYS . 15170 1 274 . LEU . 15170 1 275 . HIS . 15170 1 276 . PRO . 15170 1 277 . ARG . 15170 1 278 . GLU . 15170 1 279 . CYS . 15170 1 280 . ALA . 15170 1 281 . ARG . 15170 1 282 . VAL . 15170 1 283 . MET . 15170 1 284 . GLY . 15170 1 285 . TYR . 15170 1 286 . PRO . 15170 1 287 . ASP . 15170 1 288 . SER . 15170 1 289 . TYR . 15170 1 290 . LYS . 15170 1 291 . VAL . 15170 1 292 . HIS . 15170 1 293 . PRO . 15170 1 294 . SER . 15170 1 295 . THR . 15170 1 296 . SER . 15170 1 297 . GLN . 15170 1 298 . ALA . 15170 1 299 . TYR . 15170 1 300 . LYS . 15170 1 301 . GLN . 15170 1 302 . PHE . 15170 1 303 . GLY . 15170 1 304 . ASN . 15170 1 305 . SER . 15170 1 306 . VAL . 15170 1 307 . VAL . 15170 1 308 . ILE . 15170 1 309 . ASN . 15170 1 310 . VAL . 15170 1 311 . LEU . 15170 1 312 . GLN . 15170 1 313 . TYR . 15170 1 314 . ILE . 15170 1 315 . ALA . 15170 1 316 . TYR . 15170 1 317 . ASN . 15170 1 318 . ILE . 15170 1 319 . GLY . 15170 1 320 . SER . 15170 1 321 . SER . 15170 1 322 . LEU . 15170 1 323 . ASN . 15170 1 324 . LEU . 15170 1 325 . GLU . 15170 1 326 . HIS . 15170 1 327 . HIS . 15170 1 328 . HIS . 15170 1 329 . HIS . 15170 1 330 . HIS . 15170 1 331 . HIS . 15170 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 15170 1 . ILE 2 2 15170 1 . GLU 3 3 15170 1 . ILE 4 4 15170 1 . LYS 5 5 15170 1 . ASP 6 6 15170 1 . LYS 7 7 15170 1 . GLN 8 8 15170 1 . LEU 9 9 15170 1 . THR 10 10 15170 1 . GLY 11 11 15170 1 . LEU 12 12 15170 1 . ARG 13 13 15170 1 . PHE 14 14 15170 1 . ILE 15 15 15170 1 . ASP 16 16 15170 1 . LEU 17 17 15170 1 . PHE 18 18 15170 1 . ALA 19 19 15170 1 . GLY 20 20 15170 1 . LEU 21 21 15170 1 . GLY 22 22 15170 1 . GLY 23 23 15170 1 . PHE 24 24 15170 1 . ARG 25 25 15170 1 . LEU 26 26 15170 1 . ALA 27 27 15170 1 . LEU 28 28 15170 1 . GLU 29 29 15170 1 . SER 30 30 15170 1 . CYS 31 31 15170 1 . GLY 32 32 15170 1 . ALA 33 33 15170 1 . GLU 34 34 15170 1 . CYS 35 35 15170 1 . VAL 36 36 15170 1 . TYR 37 37 15170 1 . SER 38 38 15170 1 . ASN 39 39 15170 1 . GLU 40 40 15170 1 . TRP 41 41 15170 1 . ASP 42 42 15170 1 . LYS 43 43 15170 1 . TYR 44 44 15170 1 . ALA 45 45 15170 1 . GLN 46 46 15170 1 . GLU 47 47 15170 1 . VAL 48 48 15170 1 . TYR 49 49 15170 1 . GLU 50 50 15170 1 . MET 51 51 15170 1 . ASN 52 52 15170 1 . PHE 53 53 15170 1 . GLY 54 54 15170 1 . GLU 55 55 15170 1 . LYS 56 56 15170 1 . PRO 57 57 15170 1 . GLU 58 58 15170 1 . GLY 59 59 15170 1 . ASP 60 60 15170 1 . ILE 61 61 15170 1 . THR 62 62 15170 1 . GLN 63 63 15170 1 . VAL 64 64 15170 1 . ASN 65 65 15170 1 . GLU 66 66 15170 1 . LYS 67 67 15170 1 . THR 68 68 15170 1 . ILE 69 69 15170 1 . PRO 70 70 15170 1 . ASP 71 71 15170 1 . HIS 72 72 15170 1 . ASP 73 73 15170 1 . ILE 74 74 15170 1 . LEU 75 75 15170 1 . CYS 76 76 15170 1 . ALA 77 77 15170 1 . GLY 78 78 15170 1 . PHE 79 79 15170 1 . PRO 80 80 15170 1 . CYS 81 81 15170 1 . GLN 82 82 15170 1 . ALA 83 83 15170 1 . PHE 84 84 15170 1 . SER 85 85 15170 1 . ILE 86 86 15170 1 . SER 87 87 15170 1 . GLY 88 88 15170 1 . LYS 89 89 15170 1 . GLN 90 90 15170 1 . LYS 91 91 15170 1 . GLY 92 92 15170 1 . PHE 93 93 15170 1 . GLU 94 94 15170 1 . ASP 95 95 15170 1 . SER 96 96 15170 1 . ARG 97 97 15170 1 . GLY 98 98 15170 1 . THR 99 99 15170 1 . LEU 100 100 15170 1 . PHE 101 101 15170 1 . PHE 102 102 15170 1 . ASP 103 103 15170 1 . ILE 104 104 15170 1 . ALA 105 105 15170 1 . ARG 106 106 15170 1 . ILE 107 107 15170 1 . VAL 108 108 15170 1 . ARG 109 109 15170 1 . GLU 110 110 15170 1 . LYS 111 111 15170 1 . LYS 112 112 15170 1 . PRO 113 113 15170 1 . LYS 114 114 15170 1 . VAL 115 115 15170 1 . VAL 116 116 15170 1 . PHE 117 117 15170 1 . MET 118 118 15170 1 . GLU 119 119 15170 1 . ASN 120 120 15170 1 . VAL 121 121 15170 1 . LYS 122 122 15170 1 . ASN 123 123 15170 1 . PHE 124 124 15170 1 . ALA 125 125 15170 1 . SER 126 126 15170 1 . HIS 127 127 15170 1 . ASP 128 128 15170 1 . ASN 129 129 15170 1 . GLY 130 130 15170 1 . ASN 131 131 15170 1 . THR 132 132 15170 1 . LEU 133 133 15170 1 . GLU 134 134 15170 1 . VAL 135 135 15170 1 . VAL 136 136 15170 1 . LYS 137 137 15170 1 . ASN 138 138 15170 1 . THR 139 139 15170 1 . MET 140 140 15170 1 . ASN 141 141 15170 1 . GLU 142 142 15170 1 . LEU 143 143 15170 1 . ASP 144 144 15170 1 . TYR 145 145 15170 1 . SER 146 146 15170 1 . PHE 147 147 15170 1 . HIS 148 148 15170 1 . ALA 149 149 15170 1 . LYS 150 150 15170 1 . VAL 151 151 15170 1 . LEU 152 152 15170 1 . ASN 153 153 15170 1 . ALA 154 154 15170 1 . LEU 155 155 15170 1 . ASP 156 156 15170 1 . TYR 157 157 15170 1 . GLY 158 158 15170 1 . ILE 159 159 15170 1 . PRO 160 160 15170 1 . GLN 161 161 15170 1 . LYS 162 162 15170 1 . ARG 163 163 15170 1 . GLU 164 164 15170 1 . ARG 165 165 15170 1 . ILE 166 166 15170 1 . TYR 167 167 15170 1 . MET 168 168 15170 1 . ILE 169 169 15170 1 . CYS 170 170 15170 1 . PHE 171 171 15170 1 . ARG 172 172 15170 1 . ASN 173 173 15170 1 . ASP 174 174 15170 1 . LEU 175 175 15170 1 . ASN 176 176 15170 1 . ILE 177 177 15170 1 . GLN 178 178 15170 1 . ASN 179 179 15170 1 . PHE 180 180 15170 1 . GLN 181 181 15170 1 . PHE 182 182 15170 1 . PRO 183 183 15170 1 . LYS 184 184 15170 1 . PRO 185 185 15170 1 . PHE 186 186 15170 1 . GLU 187 187 15170 1 . LEU 188 188 15170 1 . ASN 189 189 15170 1 . THR 190 190 15170 1 . PHE 191 191 15170 1 . VAL 192 192 15170 1 . LYS 193 193 15170 1 . ASP 194 194 15170 1 . LEU 195 195 15170 1 . LEU 196 196 15170 1 . LEU 197 197 15170 1 . PRO 198 198 15170 1 . ASP 199 199 15170 1 . SER 200 200 15170 1 . GLU 201 201 15170 1 . VAL 202 202 15170 1 . GLU 203 203 15170 1 . HIS 204 204 15170 1 . LEU 205 205 15170 1 . VAL 206 206 15170 1 . ILE 207 207 15170 1 . ASP 208 208 15170 1 . ARG 209 209 15170 1 . LYS 210 210 15170 1 . ASP 211 211 15170 1 . LEU 212 212 15170 1 . VAL 213 213 15170 1 . MET 214 214 15170 1 . THR 215 215 15170 1 . ASN 216 216 15170 1 . GLN 217 217 15170 1 . GLU 218 218 15170 1 . ILE 219 219 15170 1 . GLU 220 220 15170 1 . GLN 221 221 15170 1 . THR 222 222 15170 1 . THR 223 223 15170 1 . PRO 224 224 15170 1 . LYS 225 225 15170 1 . THR 226 226 15170 1 . VAL 227 227 15170 1 . ARG 228 228 15170 1 . LEU 229 229 15170 1 . GLY 230 230 15170 1 . ILE 231 231 15170 1 . VAL 232 232 15170 1 . GLY 233 233 15170 1 . LYS 234 234 15170 1 . GLY 235 235 15170 1 . GLY 236 236 15170 1 . GLN 237 237 15170 1 . GLY 238 238 15170 1 . GLU 239 239 15170 1 . ARG 240 240 15170 1 . ILE 241 241 15170 1 . TYR 242 242 15170 1 . SER 243 243 15170 1 . THR 244 244 15170 1 . ARG 245 245 15170 1 . GLY 246 246 15170 1 . ILE 247 247 15170 1 . ALA 248 248 15170 1 . ILE 249 249 15170 1 . THR 250 250 15170 1 . LEU 251 251 15170 1 . SER 252 252 15170 1 . ALA 253 253 15170 1 . TYR 254 254 15170 1 . GLY 255 255 15170 1 . GLY 256 256 15170 1 . GLY 257 257 15170 1 . ILE 258 258 15170 1 . PHE 259 259 15170 1 . ALA 260 260 15170 1 . LYS 261 261 15170 1 . THR 262 262 15170 1 . GLY 263 263 15170 1 . GLY 264 264 15170 1 . TYR 265 265 15170 1 . LEU 266 266 15170 1 . VAL 267 267 15170 1 . ASN 268 268 15170 1 . GLY 269 269 15170 1 . LYS 270 270 15170 1 . THR 271 271 15170 1 . ARG 272 272 15170 1 . LYS 273 273 15170 1 . LEU 274 274 15170 1 . HIS 275 275 15170 1 . PRO 276 276 15170 1 . ARG 277 277 15170 1 . GLU 278 278 15170 1 . CYS 279 279 15170 1 . ALA 280 280 15170 1 . ARG 281 281 15170 1 . VAL 282 282 15170 1 . MET 283 283 15170 1 . GLY 284 284 15170 1 . TYR 285 285 15170 1 . PRO 286 286 15170 1 . ASP 287 287 15170 1 . SER 288 288 15170 1 . TYR 289 289 15170 1 . LYS 290 290 15170 1 . VAL 291 291 15170 1 . HIS 292 292 15170 1 . PRO 293 293 15170 1 . SER 294 294 15170 1 . THR 295 295 15170 1 . SER 296 296 15170 1 . GLN 297 297 15170 1 . ALA 298 298 15170 1 . TYR 299 299 15170 1 . LYS 300 300 15170 1 . GLN 301 301 15170 1 . PHE 302 302 15170 1 . GLY 303 303 15170 1 . ASN 304 304 15170 1 . SER 305 305 15170 1 . VAL 306 306 15170 1 . VAL 307 307 15170 1 . ILE 308 308 15170 1 . ASN 309 309 15170 1 . VAL 310 310 15170 1 . LEU 311 311 15170 1 . GLN 312 312 15170 1 . TYR 313 313 15170 1 . ILE 314 314 15170 1 . ALA 315 315 15170 1 . TYR 316 316 15170 1 . ASN 317 317 15170 1 . ILE 318 318 15170 1 . GLY 319 319 15170 1 . SER 320 320 15170 1 . SER 321 321 15170 1 . LEU 322 322 15170 1 . ASN 323 323 15170 1 . LEU 324 324 15170 1 . GLU 325 325 15170 1 . HIS 326 326 15170 1 . HIS 327 327 15170 1 . HIS 328 328 15170 1 . HIS 329 329 15170 1 . HIS 330 330 15170 1 . HIS 331 331 15170 1 stop_ save_ save_SAH _Entity.Sf_category entity _Entity.Sf_framecode SAH _Entity.Entry_ID 15170 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SAH _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID SAH _Entity.Nonpolymer_comp_label $chem_comp_SAH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SAH . 15170 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15170 _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 $M.HhaI . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15170 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 15170 _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 $M.HhaI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 15170 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAH _Chem_comp.Entry_ID 15170 _Chem_comp.ID SAH _Chem_comp.Provenance . _Chem_comp.Name S-ADENOSYL-L-HOMOCYSTEINE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code SAH _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C14 H20 N6 O5 S' _Chem_comp.Formula_weight 384.411 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:07:21 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N SMILES OpenEye/OEToolkits 1.4.2 15170 SAH c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15170 SAH InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 INCHI InChi 1 15170 SAH NC(CCSCC1OC(C(O)C1O)[n]2cnc3c(N)ncnc23)C(O)=O SMILES_CANONICAL CACTVS 2.87 15170 SAH N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]2cnc3c(N)ncnc23)C(O)=O SMILES CACTVS 2.87 15170 SAH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15170 SAH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C1' . C1' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C2 . C2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH C2' . C2' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C3' . C3' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C4 . C4 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH C4' . C4' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C5 . C5 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH C5' . C5' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH C8 . C8 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH CB . CB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH CG . CG . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H1' . H1' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H2' . H2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H3' . H3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H4' . H4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H5'1 . H5'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H5'2 . H5'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH H8 . H8 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HB1 . HB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HB2 . HB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HG1 . HG1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HG2 . HG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HN2 . HN2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HN61 . HN61 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HN62 . HN62 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HO2' . HO2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HO3' . HO3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH N1 . N1 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH N3 . N3 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH N6 . N6 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH N7 . N7 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH N9 . N9 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15170 SAH O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH O2' . O2' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH O3' . O3' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH O4' . O4' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH OXT . OXT . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15170 SAH SD . SD . . S . N . 0 . . . . no no . . . . . . . . . . . . . . . 15170 SAH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 15170 SAH 2 . SING N HN1 . . . . 15170 SAH 3 . SING N HN2 . . . . 15170 SAH 4 . SING CA CB . . . . 15170 SAH 5 . SING CA C . . . . 15170 SAH 6 . SING CA HA . . . . 15170 SAH 7 . SING CB CG . . . . 15170 SAH 8 . SING CB HB1 . . . . 15170 SAH 9 . SING CB HB2 . . . . 15170 SAH 10 . SING CG SD . . . . 15170 SAH 11 . SING CG HG1 . . . . 15170 SAH 12 . SING CG HG2 . . . . 15170 SAH 13 . SING SD C5' . . . . 15170 SAH 14 . DOUB C O . . . . 15170 SAH 15 . SING C OXT . . . . 15170 SAH 16 . SING OXT HXT . . . . 15170 SAH 17 . SING C5' C4' . . . . 15170 SAH 18 . SING C5' H5'1 . . . . 15170 SAH 19 . SING C5' H5'2 . . . . 15170 SAH 20 . SING C4' O4' . . . . 15170 SAH 21 . SING C4' C3' . . . . 15170 SAH 22 . SING C4' H4' . . . . 15170 SAH 23 . SING O4' C1' . . . . 15170 SAH 24 . SING C3' O3' . . . . 15170 SAH 25 . SING C3' C2' . . . . 15170 SAH 26 . SING C3' H3' . . . . 15170 SAH 27 . SING O3' HO3' . . . . 15170 SAH 28 . SING C2' O2' . . . . 15170 SAH 29 . SING C2' C1' . . . . 15170 SAH 30 . SING C2' H2' . . . . 15170 SAH 31 . SING O2' HO2' . . . . 15170 SAH 32 . SING C1' N9 . . . . 15170 SAH 33 . SING C1' H1' . . . . 15170 SAH 34 . SING N9 C8 . . . . 15170 SAH 35 . SING N9 C4 . . . . 15170 SAH 36 . DOUB C8 N7 . . . . 15170 SAH 37 . SING C8 H8 . . . . 15170 SAH 38 . SING N7 C5 . . . . 15170 SAH 39 . SING C5 C6 . . . . 15170 SAH 40 . DOUB C5 C4 . . . . 15170 SAH 41 . SING C6 N6 . . . . 15170 SAH 42 . DOUB C6 N1 . . . . 15170 SAH 43 . SING N6 HN61 . . . . 15170 SAH 44 . SING N6 HN62 . . . . 15170 SAH 45 . SING N1 C2 . . . . 15170 SAH 46 . DOUB C2 N3 . . . . 15170 SAH 47 . SING C2 H2 . . . . 15170 SAH 48 . SING N3 C4 . . . . 15170 SAH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15170 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 M.HhaI '[U-13C; U-15N; U-2H]' . . 1 $M.HhaI . . . 0.3 0.6 mM . . . . 15170 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15170 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15170 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15170 1 5 Arg 'natural abundance' . . . . . . 50 . . mM . . . . 15170 1 6 Glu 'natural abundance' . . . . . . 50 . . mM . . . . 15170 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15170 1 8 glycerol 'natural abundance' . . . . . . 0.75 . . % . . . . 15170 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15170 _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' 0.1 . M 15170 1 pH 6.5 . pH 15170 1 pressure 1 . atm 15170 1 temperature 298 . K 15170 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15170 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15170 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15170 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 15170 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 15170 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15170 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15170 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15170 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15170 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 15170 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15170 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 15170 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15170 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15170 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15170 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 15170 _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' . . . 15170 1 2 '3D HNCA' . . . 15170 1 3 '3D HN(CO)CA' . . . 15170 1 4 '3D HNCACB' . . . 15170 1 5 '3D HN(COCA)CB' . . . 15170 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 8 8 GLN CA C 13 57.03 . . 1 . . . . 8 GLN CA . 15170 1 2 . 1 1 8 8 GLN CB C 13 29.46 . . 1 . . . . 8 GLN CB . 15170 1 3 . 1 1 9 9 LEU H H 1 8.136 . . 1 . . . . 9 LEU H . 15170 1 4 . 1 1 9 9 LEU CA C 13 52.80 . . 1 . . . . 9 LEU CA . 15170 1 5 . 1 1 9 9 LEU CB C 13 40.54 . . 1 . . . . 9 LEU CB . 15170 1 6 . 1 1 9 9 LEU N N 15 114.44 . . 1 . . . . 9 LEU N . 15170 1 7 . 1 1 10 10 THR H H 1 7.168 . . 1 . . . . 10 THR H . 15170 1 8 . 1 1 10 10 THR CA C 13 64.87 . . 1 . . . . 10 THR CA . 15170 1 9 . 1 1 10 10 THR CB C 13 68.60 . . 1 . . . . 10 THR CB . 15170 1 10 . 1 1 10 10 THR N N 15 115.96 . . 1 . . . . 10 THR N . 15170 1 11 . 1 1 11 11 GLY H H 1 8.759 . . 1 . . . . 11 GLY H . 15170 1 12 . 1 1 11 11 GLY CA C 13 44.60 . . 1 . . . . 11 GLY CA . 15170 1 13 . 1 1 11 11 GLY N N 15 116.48 . . 1 . . . . 11 GLY N . 15170 1 14 . 1 1 12 12 LEU H H 1 7.964 . . 1 . . . . 12 LEU H . 15170 1 15 . 1 1 12 12 LEU CA C 13 53.71 . . 1 . . . . 12 LEU CA . 15170 1 16 . 1 1 12 12 LEU CB C 13 41.60 . . 1 . . . . 12 LEU CB . 15170 1 17 . 1 1 12 12 LEU N N 15 120.42 . . 1 . . . . 12 LEU N . 15170 1 18 . 1 1 13 13 ARG H H 1 9.917 . . 1 . . . . 13 ARG H . 15170 1 19 . 1 1 13 13 ARG CA C 13 53.71 . . 1 . . . . 13 ARG CA . 15170 1 20 . 1 1 13 13 ARG CB C 13 32.93 . . 1 . . . . 13 ARG CB . 15170 1 21 . 1 1 13 13 ARG N N 15 122.17 . . 1 . . . . 13 ARG N . 15170 1 22 . 1 1 14 14 PHE H H 1 9.748 . . 1 . . . . 14 PHE H . 15170 1 23 . 1 1 14 14 PHE CA C 13 54.45 . . 1 . . . . 14 PHE CA . 15170 1 24 . 1 1 14 14 PHE CB C 13 44.28 . . 1 . . . . 14 PHE CB . 15170 1 25 . 1 1 14 14 PHE N N 15 122.57 . . 1 . . . . 14 PHE N . 15170 1 26 . 1 1 18 18 PHE CA C 13 58.33 . . 1 . . . . 18 PHE CA . 15170 1 27 . 1 1 18 18 PHE CB C 13 34.80 . . 1 . . . . 18 PHE CB . 15170 1 28 . 1 1 19 19 ALA H H 1 8.602 . . 1 . . . . 19 ALA H . 15170 1 29 . 1 1 19 19 ALA CA C 13 56.44 . . 1 . . . . 19 ALA CA . 15170 1 30 . 1 1 19 19 ALA CB C 13 19.33 . . 1 . . . . 19 ALA CB . 15170 1 31 . 1 1 19 19 ALA N N 15 119.39 . . 1 . . . . 19 ALA N . 15170 1 32 . 1 1 20 20 GLY H H 1 10.039 . . 1 . . . . 20 GLY H . 15170 1 33 . 1 1 20 20 GLY CA C 13 46.84 . . 1 . . . . 20 GLY CA . 15170 1 34 . 1 1 20 20 GLY N N 15 110.46 . . 1 . . . . 20 GLY N . 15170 1 35 . 1 1 21 21 LEU H H 1 7.805 . . 1 . . . . 21 LEU H . 15170 1 36 . 1 1 21 21 LEU CA C 13 54.36 . . 1 . . . . 21 LEU CA . 15170 1 37 . 1 1 21 21 LEU CB C 13 41.36 . . 1 . . . . 21 LEU CB . 15170 1 38 . 1 1 21 21 LEU N N 15 122.39 . . 1 . . . . 21 LEU N . 15170 1 39 . 1 1 22 22 GLY H H 1 9.338 . . 1 . . . . 22 GLY H . 15170 1 40 . 1 1 22 22 GLY CA C 13 46.66 . . 1 . . . . 22 GLY CA . 15170 1 41 . 1 1 22 22 GLY N N 15 105.28 . . 1 . . . . 22 GLY N . 15170 1 42 . 1 1 23 23 GLY H H 1 7.875 . . 1 . . . . 23 GLY H . 15170 1 43 . 1 1 23 23 GLY CA C 13 48.41 . . 1 . . . . 23 GLY CA . 15170 1 44 . 1 1 23 23 GLY N N 15 110.95 . . 1 . . . . 23 GLY N . 15170 1 45 . 1 1 24 24 PHE H H 1 9.210 . . 1 . . . . 24 PHE H . 15170 1 46 . 1 1 24 24 PHE CA C 13 62.09 . . 1 . . . . 24 PHE CA . 15170 1 47 . 1 1 24 24 PHE N N 15 117.40 . . 1 . . . . 24 PHE N . 15170 1 48 . 1 1 25 25 ARG CA C 13 58.29 . . 1 . . . . 25 ARG CA . 15170 1 49 . 1 1 26 26 LEU H H 1 8.336 . . 1 . . . . 26 LEU H . 15170 1 50 . 1 1 26 26 LEU CA C 13 57.40 . . 1 . . . . 26 LEU CA . 15170 1 51 . 1 1 26 26 LEU CB C 13 41.84 . . 1 . . . . 26 LEU CB . 15170 1 52 . 1 1 26 26 LEU N N 15 118.38 . . 1 . . . . 26 LEU N . 15170 1 53 . 1 1 27 27 ALA H H 1 7.662 . . 1 . . . . 27 ALA H . 15170 1 54 . 1 1 27 27 ALA CA C 13 54.48 . . 1 . . . . 27 ALA CA . 15170 1 55 . 1 1 27 27 ALA CB C 13 18.56 . . 1 . . . . 27 ALA CB . 15170 1 56 . 1 1 27 27 ALA N N 15 118.34 . . 1 . . . . 27 ALA N . 15170 1 57 . 1 1 28 28 LEU H H 1 8.551 . . 1 . . . . 28 LEU H . 15170 1 58 . 1 1 28 28 LEU N N 15 121.83 . . 1 . . . . 28 LEU N . 15170 1 59 . 1 1 30 30 SER CA C 13 58.88 . . 1 . . . . 30 SER CA . 15170 1 60 . 1 1 31 31 CYS H H 1 6.922 . . 1 . . . . 31 CYS H . 15170 1 61 . 1 1 31 31 CYS CA C 13 58.12 . . 1 . . . . 31 CYS CA . 15170 1 62 . 1 1 31 31 CYS CB C 13 29.01 . . 1 . . . . 31 CYS CB . 15170 1 63 . 1 1 31 31 CYS N N 15 122.89 . . 1 . . . . 31 CYS N . 15170 1 64 . 1 1 32 32 GLY H H 1 8.547 . . 1 . . . . 32 GLY H . 15170 1 65 . 1 1 32 32 GLY CA C 13 44.47 . . 1 . . . . 32 GLY CA . 15170 1 66 . 1 1 32 32 GLY N N 15 111.28 . . 1 . . . . 32 GLY N . 15170 1 67 . 1 1 33 33 ALA H H 1 7.218 . . 1 . . . . 33 ALA H . 15170 1 68 . 1 1 33 33 ALA CA C 13 51.50 . . 1 . . . . 33 ALA CA . 15170 1 69 . 1 1 33 33 ALA CB C 13 19.86 . . 1 . . . . 33 ALA CB . 15170 1 70 . 1 1 33 33 ALA N N 15 122.86 . . 1 . . . . 33 ALA N . 15170 1 71 . 1 1 34 34 GLU H H 1 8.689 . . 1 . . . . 34 GLU H . 15170 1 72 . 1 1 34 34 GLU CA C 13 53.91 . . 1 . . . . 34 GLU CA . 15170 1 73 . 1 1 34 34 GLU CB C 13 32.41 . . 1 . . . . 34 GLU CB . 15170 1 74 . 1 1 34 34 GLU N N 15 119.75 . . 1 . . . . 34 GLU N . 15170 1 75 . 1 1 35 35 CYS H H 1 9.705 . . 1 . . . . 35 CYS H . 15170 1 76 . 1 1 35 35 CYS CA C 13 57.83 . . 1 . . . . 35 CYS CA . 15170 1 77 . 1 1 35 35 CYS CB C 13 27.00 . . 1 . . . . 35 CYS CB . 15170 1 78 . 1 1 35 35 CYS N N 15 130.09 . . 1 . . . . 35 CYS N . 15170 1 79 . 1 1 36 36 VAL H H 1 8.439 . . 1 . . . . 36 VAL H . 15170 1 80 . 1 1 36 36 VAL CA C 13 59.96 . . 1 . . . . 36 VAL CA . 15170 1 81 . 1 1 36 36 VAL CB C 13 31.84 . . 1 . . . . 36 VAL CB . 15170 1 82 . 1 1 36 36 VAL N N 15 119.92 . . 1 . . . . 36 VAL N . 15170 1 83 . 1 1 37 37 TYR H H 1 7.326 . . 1 . . . . 37 TYR H . 15170 1 84 . 1 1 37 37 TYR CA C 13 59.48 . . 1 . . . . 37 TYR CA . 15170 1 85 . 1 1 37 37 TYR CB C 13 39.89 . . 1 . . . . 37 TYR CB . 15170 1 86 . 1 1 37 37 TYR N N 15 121.30 . . 1 . . . . 37 TYR N . 15170 1 87 . 1 1 38 38 SER H H 1 7.275 . . 1 . . . . 38 SER H . 15170 1 88 . 1 1 38 38 SER CA C 13 56.14 . . 1 . . . . 38 SER CA . 15170 1 89 . 1 1 38 38 SER CB C 13 66.42 . . 1 . . . . 38 SER CB . 15170 1 90 . 1 1 38 38 SER N N 15 122.05 . . 1 . . . . 38 SER N . 15170 1 91 . 1 1 39 39 ASN H H 1 7.825 . . 1 . . . . 39 ASN H . 15170 1 92 . 1 1 39 39 ASN CA C 13 53.19 . . 1 . . . . 39 ASN CA . 15170 1 93 . 1 1 39 39 ASN CB C 13 43.75 . . 1 . . . . 39 ASN CB . 15170 1 94 . 1 1 39 39 ASN N N 15 120.02 . . 1 . . . . 39 ASN N . 15170 1 95 . 1 1 40 40 GLU H H 1 8.848 . . 1 . . . . 40 GLU H . 15170 1 96 . 1 1 40 40 GLU CA C 13 55.97 . . 1 . . . . 40 GLU CA . 15170 1 97 . 1 1 40 40 GLU CB C 13 31.62 . . 1 . . . . 40 GLU CB . 15170 1 98 . 1 1 40 40 GLU N N 15 128.57 . . 1 . . . . 40 GLU N . 15170 1 99 . 1 1 41 41 TRP H H 1 7.602 . . 1 . . . . 41 TRP H . 15170 1 100 . 1 1 41 41 TRP CA C 13 54.91 . . 1 . . . . 41 TRP CA . 15170 1 101 . 1 1 41 41 TRP CB C 13 29.22 . . 1 . . . . 41 TRP CB . 15170 1 102 . 1 1 41 41 TRP N N 15 125.75 . . 1 . . . . 41 TRP N . 15170 1 103 . 1 1 42 42 ASP H H 1 10.429 . . 1 . . . . 42 ASP H . 15170 1 104 . 1 1 42 42 ASP CA C 13 54.23 . . 1 . . . . 42 ASP CA . 15170 1 105 . 1 1 42 42 ASP CB C 13 42.43 . . 1 . . . . 42 ASP CB . 15170 1 106 . 1 1 42 42 ASP N N 15 129.44 . . 1 . . . . 42 ASP N . 15170 1 107 . 1 1 43 43 LYS H H 1 8.518 . . 1 . . . . 43 LYS H . 15170 1 108 . 1 1 43 43 LYS CA C 13 58.55 . . 1 . . . . 43 LYS CA . 15170 1 109 . 1 1 43 43 LYS CB C 13 31.14 . . 1 . . . . 43 LYS CB . 15170 1 110 . 1 1 43 43 LYS N N 15 127.71 . . 1 . . . . 43 LYS N . 15170 1 111 . 1 1 44 44 TYR H H 1 7.335 . . 1 . . . . 44 TYR H . 15170 1 112 . 1 1 44 44 TYR CA C 13 59.37 . . 1 . . . . 44 TYR CA . 15170 1 113 . 1 1 44 44 TYR CB C 13 35.73 . . 1 . . . . 44 TYR CB . 15170 1 114 . 1 1 44 44 TYR N N 15 119.07 . . 1 . . . . 44 TYR N . 15170 1 115 . 1 1 45 45 ALA H H 1 8.634 . . 1 . . . . 45 ALA H . 15170 1 116 . 1 1 45 45 ALA CA C 13 54.53 . . 1 . . . . 45 ALA CA . 15170 1 117 . 1 1 45 45 ALA CB C 13 16.10 . . 1 . . . . 45 ALA CB . 15170 1 118 . 1 1 45 45 ALA N N 15 126.24 . . 1 . . . . 45 ALA N . 15170 1 119 . 1 1 46 46 GLN H H 1 8.828 . . 1 . . . . 46 GLN H . 15170 1 120 . 1 1 46 46 GLN CA C 13 59.40 . . 1 . . . . 46 GLN CA . 15170 1 121 . 1 1 46 46 GLN CB C 13 27.63 . . 1 . . . . 46 GLN CB . 15170 1 122 . 1 1 46 46 GLN N N 15 115.77 . . 1 . . . . 46 GLN N . 15170 1 123 . 1 1 47 47 GLU H H 1 7.541 . . 1 . . . . 47 GLU H . 15170 1 124 . 1 1 47 47 GLU CA C 13 58.95 . . 1 . . . . 47 GLU CA . 15170 1 125 . 1 1 47 47 GLU CB C 13 29.21 . . 1 . . . . 47 GLU CB . 15170 1 126 . 1 1 47 47 GLU N N 15 117.88 . . 1 . . . . 47 GLU N . 15170 1 127 . 1 1 48 48 VAL H H 1 7.673 . . 1 . . . . 48 VAL H . 15170 1 128 . 1 1 48 48 VAL CA C 13 64.05 . . 1 . . . . 48 VAL CA . 15170 1 129 . 1 1 48 48 VAL CB C 13 31.94 . . 1 . . . . 48 VAL CB . 15170 1 130 . 1 1 48 48 VAL N N 15 120.77 . . 1 . . . . 48 VAL N . 15170 1 131 . 1 1 49 49 TYR H H 1 9.116 . . 1 . . . . 49 TYR H . 15170 1 132 . 1 1 49 49 TYR CA C 13 62.13 . . 1 . . . . 49 TYR CA . 15170 1 133 . 1 1 49 49 TYR CB C 13 38.65 . . 1 . . . . 49 TYR CB . 15170 1 134 . 1 1 49 49 TYR N N 15 129.29 . . 1 . . . . 49 TYR N . 15170 1 135 . 1 1 50 50 GLU H H 1 8.574 . . 1 . . . . 50 GLU H . 15170 1 136 . 1 1 50 50 GLU CA C 13 59.31 . . 1 . . . . 50 GLU CA . 15170 1 137 . 1 1 50 50 GLU CB C 13 28.74 . . 1 . . . . 50 GLU CB . 15170 1 138 . 1 1 50 50 GLU N N 15 120.50 . . 1 . . . . 50 GLU N . 15170 1 139 . 1 1 51 51 MET H H 1 7.852 . . 1 . . . . 51 MET H . 15170 1 140 . 1 1 51 51 MET CA C 13 58.52 . . 1 . . . . 51 MET CA . 15170 1 141 . 1 1 51 51 MET CB C 13 32.93 . . 1 . . . . 51 MET CB . 15170 1 142 . 1 1 51 51 MET N N 15 118.84 . . 1 . . . . 51 MET N . 15170 1 143 . 1 1 52 52 ASN H H 1 7.124 . . 1 . . . . 52 ASN H . 15170 1 144 . 1 1 52 52 ASN CA C 13 55.58 . . 1 . . . . 52 ASN CA . 15170 1 145 . 1 1 52 52 ASN CB C 13 40.72 . . 1 . . . . 52 ASN CB . 15170 1 146 . 1 1 52 52 ASN N N 15 114.16 . . 1 . . . . 52 ASN N . 15170 1 147 . 1 1 53 53 PHE H H 1 8.747 . . 1 . . . . 53 PHE H . 15170 1 148 . 1 1 53 53 PHE CA C 13 57.57 . . 1 . . . . 53 PHE CA . 15170 1 149 . 1 1 53 53 PHE CB C 13 38.89 . . 1 . . . . 53 PHE CB . 15170 1 150 . 1 1 53 53 PHE N N 15 116.07 . . 1 . . . . 53 PHE N . 15170 1 151 . 1 1 54 54 GLY H H 1 8.179 . . 1 . . . . 54 GLY H . 15170 1 152 . 1 1 54 54 GLY CA C 13 45.72 . . 1 . . . . 54 GLY CA . 15170 1 153 . 1 1 54 54 GLY N N 15 108.64 . . 1 . . . . 54 GLY N . 15170 1 154 . 1 1 55 55 GLU H H 1 6.912 . . 1 . . . . 55 GLU H . 15170 1 155 . 1 1 55 55 GLU CA C 13 53.26 . . 1 . . . . 55 GLU CA . 15170 1 156 . 1 1 55 55 GLU CB C 13 32.23 . . 1 . . . . 55 GLU CB . 15170 1 157 . 1 1 55 55 GLU N N 15 115.52 . . 1 . . . . 55 GLU N . 15170 1 158 . 1 1 56 56 LYS H H 1 8.545 . . 1 . . . . 56 LYS H . 15170 1 159 . 1 1 56 56 LYS N N 15 123.01 . . 1 . . . . 56 LYS N . 15170 1 160 . 1 1 57 57 PRO CA C 13 62.10 . . 1 . . . . 57 PRO CA . 15170 1 161 . 1 1 57 57 PRO CB C 13 32.32 . . 1 . . . . 57 PRO CB . 15170 1 162 . 1 1 58 58 GLU H H 1 7.184 . . 1 . . . . 58 GLU H . 15170 1 163 . 1 1 58 58 GLU CA C 13 56.30 . . 1 . . . . 58 GLU CA . 15170 1 164 . 1 1 58 58 GLU CB C 13 29.04 . . 1 . . . . 58 GLU CB . 15170 1 165 . 1 1 58 58 GLU N N 15 121.60 . . 1 . . . . 58 GLU N . 15170 1 166 . 1 1 59 59 GLY H H 1 7.667 . . 1 . . . . 59 GLY H . 15170 1 167 . 1 1 59 59 GLY CA C 13 43.35 . . 1 . . . . 59 GLY CA . 15170 1 168 . 1 1 59 59 GLY N N 15 106.65 . . 1 . . . . 59 GLY N . 15170 1 169 . 1 1 60 60 ASP H H 1 7.552 . . 1 . . . . 60 ASP H . 15170 1 170 . 1 1 60 60 ASP CA C 13 53.99 . . 1 . . . . 60 ASP CA . 15170 1 171 . 1 1 60 60 ASP CB C 13 41.65 . . 1 . . . . 60 ASP CB . 15170 1 172 . 1 1 60 60 ASP N N 15 110.99 . . 1 . . . . 60 ASP N . 15170 1 173 . 1 1 61 61 ILE H H 1 9.447 . . 1 . . . . 61 ILE H . 15170 1 174 . 1 1 61 61 ILE CA C 13 61.35 . . 1 . . . . 61 ILE CA . 15170 1 175 . 1 1 61 61 ILE CB C 13 36.18 . . 1 . . . . 61 ILE CB . 15170 1 176 . 1 1 61 61 ILE N N 15 132.85 . . 1 . . . . 61 ILE N . 15170 1 177 . 1 1 62 62 THR H H 1 8.098 . . 1 . . . . 62 THR H . 15170 1 178 . 1 1 62 62 THR CA C 13 63.72 . . 1 . . . . 62 THR CA . 15170 1 179 . 1 1 62 62 THR CB C 13 68.79 . . 1 . . . . 62 THR CB . 15170 1 180 . 1 1 62 62 THR N N 15 112.64 . . 1 . . . . 62 THR N . 15170 1 181 . 1 1 63 63 GLN H H 1 7.465 . . 1 . . . . 63 GLN H . 15170 1 182 . 1 1 63 63 GLN CA C 13 53.76 . . 1 . . . . 63 GLN CA . 15170 1 183 . 1 1 63 63 GLN CB C 13 28.72 . . 1 . . . . 63 GLN CB . 15170 1 184 . 1 1 63 63 GLN N N 15 117.36 . . 1 . . . . 63 GLN N . 15170 1 185 . 1 1 64 64 VAL H H 1 7.272 . . 1 . . . . 64 VAL H . 15170 1 186 . 1 1 64 64 VAL CA C 13 61.87 . . 1 . . . . 64 VAL CA . 15170 1 187 . 1 1 64 64 VAL CB C 13 31.94 . . 1 . . . . 64 VAL CB . 15170 1 188 . 1 1 64 64 VAL N N 15 122.81 . . 1 . . . . 64 VAL N . 15170 1 189 . 1 1 65 65 ASN H H 1 9.054 . . 1 . . . . 65 ASN H . 15170 1 190 . 1 1 65 65 ASN CA C 13 53.70 . . 1 . . . . 65 ASN CA . 15170 1 191 . 1 1 65 65 ASN CB C 13 38.52 . . 1 . . . . 65 ASN CB . 15170 1 192 . 1 1 65 65 ASN N N 15 128.33 . . 1 . . . . 65 ASN N . 15170 1 193 . 1 1 66 66 GLU H H 1 10.180 . . 1 . . . . 66 GLU H . 15170 1 194 . 1 1 66 66 GLU CA C 13 58.57 . . 1 . . . . 66 GLU CA . 15170 1 195 . 1 1 66 66 GLU CB C 13 27.36 . . 1 . . . . 66 GLU CB . 15170 1 196 . 1 1 66 66 GLU N N 15 129.82 . . 1 . . . . 66 GLU N . 15170 1 197 . 1 1 67 67 LYS H H 1 8.177 . . 1 . . . . 67 LYS H . 15170 1 198 . 1 1 67 67 LYS CA C 13 58.16 . . 1 . . . . 67 LYS CA . 15170 1 199 . 1 1 67 67 LYS CB C 13 31.11 . . 1 . . . . 67 LYS CB . 15170 1 200 . 1 1 67 67 LYS N N 15 118.09 . . 1 . . . . 67 LYS N . 15170 1 201 . 1 1 68 68 THR H H 1 7.595 . . 1 . . . . 68 THR H . 15170 1 202 . 1 1 68 68 THR CA C 13 61.23 . . 1 . . . . 68 THR CA . 15170 1 203 . 1 1 68 68 THR CB C 13 68.96 . . 1 . . . . 68 THR CB . 15170 1 204 . 1 1 68 68 THR N N 15 107.95 . . 1 . . . . 68 THR N . 15170 1 205 . 1 1 69 69 ILE H H 1 6.575 . . 1 . . . . 69 ILE H . 15170 1 206 . 1 1 69 69 ILE CA C 13 56.29 . . 1 . . . . 69 ILE CA . 15170 1 207 . 1 1 69 69 ILE CB C 13 35.94 . . 1 . . . . 69 ILE CB . 15170 1 208 . 1 1 69 69 ILE N N 15 125.82 . . 1 . . . . 69 ILE N . 15170 1 209 . 1 1 77 77 ALA H H 1 6.731 . . 1 . . . . 77 ALA H . 15170 1 210 . 1 1 77 77 ALA CA C 13 53.20 . . 1 . . . . 77 ALA CA . 15170 1 211 . 1 1 77 77 ALA CB C 13 22.46 . . 1 . . . . 77 ALA CB . 15170 1 212 . 1 1 77 77 ALA N N 15 120.79 . . 1 . . . . 77 ALA N . 15170 1 213 . 1 1 78 78 GLY H H 1 8.882 . . 1 . . . . 78 GLY H . 15170 1 214 . 1 1 78 78 GLY CA C 13 45.88 . . 1 . . . . 78 GLY CA . 15170 1 215 . 1 1 78 78 GLY N N 15 118.19 . . 1 . . . . 78 GLY N . 15170 1 216 . 1 1 79 79 PHE H H 1 5.961 . . 1 . . . . 79 PHE H . 15170 1 217 . 1 1 79 79 PHE CA C 13 52.48 . . 1 . . . . 79 PHE CA . 15170 1 218 . 1 1 79 79 PHE CB C 13 38.22 . . 1 . . . . 79 PHE CB . 15170 1 219 . 1 1 79 79 PHE N N 15 113.84 . . 1 . . . . 79 PHE N . 15170 1 220 . 1 1 80 80 PRO CA C 13 62.18 . . 1 . . . . 80 PRO CA . 15170 1 221 . 1 1 80 80 PRO CB C 13 31.09 . . 1 . . . . 80 PRO CB . 15170 1 222 . 1 1 81 81 CYS H H 1 8.439 . . 1 . . . . 81 CYS H . 15170 1 223 . 1 1 81 81 CYS CA C 13 59.48 . . 1 . . . . 81 CYS CA . 15170 1 224 . 1 1 81 81 CYS CB C 13 24.59 . . 1 . . . . 81 CYS CB . 15170 1 225 . 1 1 81 81 CYS N N 15 125.46 . . 1 . . . . 81 CYS N . 15170 1 226 . 1 1 82 82 GLN H H 1 8.750 . . 1 . . . . 82 GLN H . 15170 1 227 . 1 1 82 82 GLN CA C 13 54.06 . . 1 . . . . 82 GLN CA . 15170 1 228 . 1 1 82 82 GLN CB C 13 28.76 . . 1 . . . . 82 GLN CB . 15170 1 229 . 1 1 82 82 GLN N N 15 131.10 . . 1 . . . . 82 GLN N . 15170 1 230 . 1 1 83 83 ALA H H 1 8.093 . . 1 . . . . 83 ALA H . 15170 1 231 . 1 1 83 83 ALA CA C 13 50.80 . . 1 . . . . 83 ALA CA . 15170 1 232 . 1 1 83 83 ALA CB C 13 17.80 . . 1 . . . . 83 ALA CB . 15170 1 233 . 1 1 83 83 ALA N N 15 120.94 . . 1 . . . . 83 ALA N . 15170 1 234 . 1 1 84 84 PHE H H 1 9.538 . . 1 . . . . 84 PHE H . 15170 1 235 . 1 1 84 84 PHE CA C 13 56.56 . . 1 . . . . 84 PHE CA . 15170 1 236 . 1 1 84 84 PHE CB C 13 39.25 . . 1 . . . . 84 PHE CB . 15170 1 237 . 1 1 84 84 PHE N N 15 122.44 . . 1 . . . . 84 PHE N . 15170 1 238 . 1 1 85 85 SER H H 1 9.122 . . 1 . . . . 85 SER H . 15170 1 239 . 1 1 85 85 SER CA C 13 57.03 . . 1 . . . . 85 SER CA . 15170 1 240 . 1 1 85 85 SER CB C 13 62.20 . . 1 . . . . 85 SER CB . 15170 1 241 . 1 1 85 85 SER N N 15 119.49 . . 1 . . . . 85 SER N . 15170 1 242 . 1 1 86 86 ILE H H 1 7.958 . . 1 . . . . 86 ILE H . 15170 1 243 . 1 1 86 86 ILE CA C 13 60.56 . . 1 . . . . 86 ILE CA . 15170 1 244 . 1 1 86 86 ILE CB C 13 37.57 . . 1 . . . . 86 ILE CB . 15170 1 245 . 1 1 86 86 ILE N N 15 124.27 . . 1 . . . . 86 ILE N . 15170 1 246 . 1 1 87 87 SER H H 1 8.659 . . 1 . . . . 87 SER H . 15170 1 247 . 1 1 87 87 SER CA C 13 58.14 . . 1 . . . . 87 SER CA . 15170 1 248 . 1 1 87 87 SER CB C 13 63.85 . . 1 . . . . 87 SER CB . 15170 1 249 . 1 1 87 87 SER N N 15 121.94 . . 1 . . . . 87 SER N . 15170 1 250 . 1 1 88 88 GLY H H 1 8.410 . . 1 . . . . 88 GLY H . 15170 1 251 . 1 1 88 88 GLY CA C 13 44.74 . . 1 . . . . 88 GLY CA . 15170 1 252 . 1 1 88 88 GLY N N 15 112.85 . . 1 . . . . 88 GLY N . 15170 1 253 . 1 1 89 89 LYS H H 1 8.224 . . 1 . . . . 89 LYS H . 15170 1 254 . 1 1 89 89 LYS CA C 13 56.25 . . 1 . . . . 89 LYS CA . 15170 1 255 . 1 1 89 89 LYS CB C 13 32.03 . . 1 . . . . 89 LYS CB . 15170 1 256 . 1 1 89 89 LYS N N 15 120.38 . . 1 . . . . 89 LYS N . 15170 1 257 . 1 1 90 90 GLN H H 1 8.248 . . 1 . . . . 90 GLN H . 15170 1 258 . 1 1 90 90 GLN CA C 13 55.92 . . 1 . . . . 90 GLN CA . 15170 1 259 . 1 1 90 90 GLN CB C 13 28.00 . . 1 . . . . 90 GLN CB . 15170 1 260 . 1 1 90 90 GLN N N 15 119.82 . . 1 . . . . 90 GLN N . 15170 1 261 . 1 1 91 91 LYS H H 1 8.196 . . 1 . . . . 91 LYS H . 15170 1 262 . 1 1 91 91 LYS CA C 13 55.38 . . 1 . . . . 91 LYS CA . 15170 1 263 . 1 1 91 91 LYS CB C 13 31.98 . . 1 . . . . 91 LYS CB . 15170 1 264 . 1 1 91 91 LYS N N 15 121.45 . . 1 . . . . 91 LYS N . 15170 1 265 . 1 1 92 92 GLY H H 1 8.821 . . 1 . . . . 92 GLY H . 15170 1 266 . 1 1 92 92 GLY CA C 13 45.05 . . 1 . . . . 92 GLY CA . 15170 1 267 . 1 1 92 92 GLY N N 15 110.78 . . 1 . . . . 92 GLY N . 15170 1 268 . 1 1 93 93 PHE H H 1 8.881 . . 1 . . . . 93 PHE H . 15170 1 269 . 1 1 93 93 PHE CA C 13 60.87 . . 1 . . . . 93 PHE CA . 15170 1 270 . 1 1 93 93 PHE CB C 13 39.35 . . 1 . . . . 93 PHE CB . 15170 1 271 . 1 1 93 93 PHE N N 15 123.81 . . 1 . . . . 93 PHE N . 15170 1 272 . 1 1 94 94 GLU H H 1 8.664 . . 1 . . . . 94 GLU H . 15170 1 273 . 1 1 94 94 GLU CA C 13 58.05 . . 1 . . . . 94 GLU CA . 15170 1 274 . 1 1 94 94 GLU CB C 13 28.44 . . 1 . . . . 94 GLU CB . 15170 1 275 . 1 1 94 94 GLU N N 15 116.95 . . 1 . . . . 94 GLU N . 15170 1 276 . 1 1 95 95 ASP H H 1 7.917 . . 1 . . . . 95 ASP H . 15170 1 277 . 1 1 95 95 ASP CA C 13 55.67 . . 1 . . . . 95 ASP CA . 15170 1 278 . 1 1 95 95 ASP CB C 13 40.63 . . 1 . . . . 95 ASP CB . 15170 1 279 . 1 1 95 95 ASP N N 15 118.78 . . 1 . . . . 95 ASP N . 15170 1 280 . 1 1 96 96 SER H H 1 7.653 . . 1 . . . . 96 SER H . 15170 1 281 . 1 1 96 96 SER CA C 13 58.91 . . 1 . . . . 96 SER CA . 15170 1 282 . 1 1 96 96 SER CB C 13 64.47 . . 1 . . . . 96 SER CB . 15170 1 283 . 1 1 96 96 SER N N 15 112.76 . . 1 . . . . 96 SER N . 15170 1 284 . 1 1 97 97 ARG CA C 13 58.85 . . 1 . . . . 97 ARG CA . 15170 1 285 . 1 1 97 97 ARG CB C 13 28.23 . . 1 . . . . 97 ARG CB . 15170 1 286 . 1 1 98 98 GLY H H 1 7.982 . . 1 . . . . 98 GLY H . 15170 1 287 . 1 1 98 98 GLY CA C 13 44.44 . . 1 . . . . 98 GLY CA . 15170 1 288 . 1 1 98 98 GLY N N 15 108.53 . . 1 . . . . 98 GLY N . 15170 1 289 . 1 1 99 99 THR H H 1 7.634 . . 1 . . . . 99 THR H . 15170 1 290 . 1 1 99 99 THR CA C 13 60.00 . . 1 . . . . 99 THR CA . 15170 1 291 . 1 1 99 99 THR CB C 13 72.78 . . 1 . . . . 99 THR CB . 15170 1 292 . 1 1 99 99 THR N N 15 109.02 . . 1 . . . . 99 THR N . 15170 1 293 . 1 1 100 100 LEU H H 1 9.073 . . 1 . . . . 100 LEU H . 15170 1 294 . 1 1 100 100 LEU CA C 13 56.16 . . 1 . . . . 100 LEU CA . 15170 1 295 . 1 1 100 100 LEU N N 15 124.28 . . 1 . . . . 100 LEU N . 15170 1 296 . 1 1 101 101 PHE H H 1 7.865 . . 1 . . . . 101 PHE H . 15170 1 297 . 1 1 101 101 PHE CA C 13 60.95 . . 1 . . . . 101 PHE CA . 15170 1 298 . 1 1 101 101 PHE N N 15 118.80 . . 1 . . . . 101 PHE N . 15170 1 299 . 1 1 102 102 PHE H H 1 7.443 . . 1 . . . . 102 PHE H . 15170 1 300 . 1 1 102 102 PHE C C 13 176.41 . . 1 . . . . 102 PHE C . 15170 1 301 . 1 1 102 102 PHE CA C 13 60.77 . . 1 . . . . 102 PHE CA . 15170 1 302 . 1 1 102 102 PHE CB C 13 37.66 . . 1 . . . . 102 PHE CB . 15170 1 303 . 1 1 102 102 PHE N N 15 119.50 . . 1 . . . . 102 PHE N . 15170 1 304 . 1 1 103 103 ASP H H 1 7.044 . . 1 . . . . 103 ASP H . 15170 1 305 . 1 1 103 103 ASP C C 13 177.57 . . 1 . . . . 103 ASP C . 15170 1 306 . 1 1 103 103 ASP CA C 13 57.92 . . 1 . . . . 103 ASP CA . 15170 1 307 . 1 1 103 103 ASP CB C 13 40.78 . . 1 . . . . 103 ASP CB . 15170 1 308 . 1 1 103 103 ASP N N 15 116.02 . . 1 . . . . 103 ASP N . 15170 1 309 . 1 1 104 104 ILE H H 1 6.488 . . 1 . . . . 104 ILE H . 15170 1 310 . 1 1 104 104 ILE CA C 13 65.08 . . 1 . . . . 104 ILE CA . 15170 1 311 . 1 1 104 104 ILE N N 15 116.64 . . 1 . . . . 104 ILE N . 15170 1 312 . 1 1 105 105 ALA H H 1 7.487 . . 1 . . . . 105 ALA H . 15170 1 313 . 1 1 105 105 ALA CA C 13 54.85 . . 1 . . . . 105 ALA CA . 15170 1 314 . 1 1 105 105 ALA CB C 13 16.72 . . 1 . . . . 105 ALA CB . 15170 1 315 . 1 1 105 105 ALA N N 15 121.62 . . 1 . . . . 105 ALA N . 15170 1 316 . 1 1 106 106 ARG H H 1 8.384 . . 1 . . . . 106 ARG H . 15170 1 317 . 1 1 106 106 ARG CA C 13 58.05 . . 1 . . . . 106 ARG CA . 15170 1 318 . 1 1 106 106 ARG CB C 13 27.80 . . 1 . . . . 106 ARG CB . 15170 1 319 . 1 1 106 106 ARG N N 15 116.39 . . 1 . . . . 106 ARG N . 15170 1 320 . 1 1 123 123 ASN CA C 13 51.73 . . 1 . . . . 123 ASN CA . 15170 1 321 . 1 1 124 124 PHE H H 1 7.685 . . 1 . . . . 124 PHE H . 15170 1 322 . 1 1 124 124 PHE CA C 13 62.06 . . 1 . . . . 124 PHE CA . 15170 1 323 . 1 1 124 124 PHE CB C 13 40.20 . . 1 . . . . 124 PHE CB . 15170 1 324 . 1 1 124 124 PHE N N 15 123.26 . . 1 . . . . 124 PHE N . 15170 1 325 . 1 1 125 125 ALA H H 1 9.100 . . 1 . . . . 125 ALA H . 15170 1 326 . 1 1 125 125 ALA CA C 13 53.70 . . 1 . . . . 125 ALA CA . 15170 1 327 . 1 1 125 125 ALA CB C 13 18.05 . . 1 . . . . 125 ALA CB . 15170 1 328 . 1 1 125 125 ALA N N 15 115.34 . . 1 . . . . 125 ALA N . 15170 1 329 . 1 1 126 126 SER H H 1 7.501 . . 1 . . . . 126 SER H . 15170 1 330 . 1 1 126 126 SER CA C 13 56.85 . . 1 . . . . 126 SER CA . 15170 1 331 . 1 1 126 126 SER CB C 13 63.66 . . 1 . . . . 126 SER CB . 15170 1 332 . 1 1 126 126 SER N N 15 109.74 . . 1 . . . . 126 SER N . 15170 1 333 . 1 1 127 127 HIS H H 1 7.235 . . 1 . . . . 127 HIS H . 15170 1 334 . 1 1 127 127 HIS CA C 13 59.18 . . 1 . . . . 127 HIS CA . 15170 1 335 . 1 1 127 127 HIS CB C 13 30.71 . . 1 . . . . 127 HIS CB . 15170 1 336 . 1 1 127 127 HIS N N 15 125.83 . . 1 . . . . 127 HIS N . 15170 1 337 . 1 1 128 128 ASP H H 1 8.675 . . 1 . . . . 128 ASP H . 15170 1 338 . 1 1 128 128 ASP CA C 13 54.57 . . 1 . . . . 128 ASP CA . 15170 1 339 . 1 1 128 128 ASP CB C 13 39.06 . . 1 . . . . 128 ASP CB . 15170 1 340 . 1 1 128 128 ASP N N 15 129.86 . . 1 . . . . 128 ASP N . 15170 1 341 . 1 1 129 129 ASN H H 1 8.405 . . 1 . . . . 129 ASN H . 15170 1 342 . 1 1 129 129 ASN CA C 13 54.27 . . 1 . . . . 129 ASN CA . 15170 1 343 . 1 1 129 129 ASN CB C 13 37.14 . . 1 . . . . 129 ASN CB . 15170 1 344 . 1 1 129 129 ASN N N 15 114.29 . . 1 . . . . 129 ASN N . 15170 1 345 . 1 1 130 130 GLY H H 1 7.114 . . 1 . . . . 130 GLY H . 15170 1 346 . 1 1 130 130 GLY CA C 13 44.67 . . 1 . . . . 130 GLY CA . 15170 1 347 . 1 1 130 130 GLY N N 15 105.83 . . 1 . . . . 130 GLY N . 15170 1 348 . 1 1 131 131 ASN H H 1 8.013 . . 1 . . . . 131 ASN H . 15170 1 349 . 1 1 131 131 ASN CA C 13 56.00 . . 1 . . . . 131 ASN CA . 15170 1 350 . 1 1 131 131 ASN CB C 13 38.67 . . 1 . . . . 131 ASN CB . 15170 1 351 . 1 1 131 131 ASN N N 15 119.85 . . 1 . . . . 131 ASN N . 15170 1 352 . 1 1 132 132 THR H H 1 6.946 . . 1 . . . . 132 THR H . 15170 1 353 . 1 1 132 132 THR CA C 13 64.67 . . 1 . . . . 132 THR CA . 15170 1 354 . 1 1 132 132 THR CB C 13 66.57 . . 1 . . . . 132 THR CB . 15170 1 355 . 1 1 132 132 THR N N 15 117.16 . . 1 . . . . 132 THR N . 15170 1 356 . 1 1 133 133 LEU H H 1 9.069 . . 1 . . . . 133 LEU H . 15170 1 357 . 1 1 133 133 LEU CA C 13 57.32 . . 1 . . . . 133 LEU CA . 15170 1 358 . 1 1 133 133 LEU CB C 13 39.64 . . 1 . . . . 133 LEU CB . 15170 1 359 . 1 1 133 133 LEU N N 15 122.19 . . 1 . . . . 133 LEU N . 15170 1 360 . 1 1 134 134 GLU H H 1 7.164 . . 1 . . . . 134 GLU H . 15170 1 361 . 1 1 134 134 GLU CA C 13 59.62 . . 1 . . . . 134 GLU CA . 15170 1 362 . 1 1 134 134 GLU CB C 13 28.62 . . 1 . . . . 134 GLU CB . 15170 1 363 . 1 1 134 134 GLU N N 15 118.22 . . 1 . . . . 134 GLU N . 15170 1 364 . 1 1 135 135 VAL H H 1 8.054 . . 1 . . . . 135 VAL H . 15170 1 365 . 1 1 135 135 VAL C C 13 179.83 . . 1 . . . . 135 VAL C . 15170 1 366 . 1 1 135 135 VAL CA C 13 65.63 . . 1 . . . . 135 VAL CA . 15170 1 367 . 1 1 135 135 VAL CB C 13 30.63 . . 1 . . . . 135 VAL CB . 15170 1 368 . 1 1 135 135 VAL N N 15 118.65 . . 1 . . . . 135 VAL N . 15170 1 369 . 1 1 136 136 VAL H H 1 7.557 . . 1 . . . . 136 VAL H . 15170 1 370 . 1 1 136 136 VAL CA C 13 66.16 . . 1 . . . . 136 VAL CA . 15170 1 371 . 1 1 136 136 VAL CB C 13 30.60 . . 1 . . . . 136 VAL CB . 15170 1 372 . 1 1 136 136 VAL N N 15 123.83 . . 1 . . . . 136 VAL N . 15170 1 373 . 1 1 146 146 SER CA C 13 56.53 . . 1 . . . . 146 SER CA . 15170 1 374 . 1 1 146 146 SER CB C 13 64.51 . . 1 . . . . 146 SER CB . 15170 1 375 . 1 1 147 147 PHE H H 1 8.187 . . 1 . . . . 147 PHE H . 15170 1 376 . 1 1 147 147 PHE CA C 13 58.63 . . 1 . . . . 147 PHE CA . 15170 1 377 . 1 1 147 147 PHE CB C 13 42.24 . . 1 . . . . 147 PHE CB . 15170 1 378 . 1 1 147 147 PHE N N 15 119.39 . . 1 . . . . 147 PHE N . 15170 1 379 . 1 1 148 148 HIS H H 1 8.034 . . 1 . . . . 148 HIS H . 15170 1 380 . 1 1 148 148 HIS CA C 13 54.20 . . 1 . . . . 148 HIS CA . 15170 1 381 . 1 1 148 148 HIS CB C 13 31.14 . . 1 . . . . 148 HIS CB . 15170 1 382 . 1 1 148 148 HIS N N 15 128.55 . . 1 . . . . 148 HIS N . 15170 1 383 . 1 1 149 149 ALA H H 1 8.890 . . 1 . . . . 149 ALA H . 15170 1 384 . 1 1 149 149 ALA CA C 13 50.47 . . 1 . . . . 149 ALA CA . 15170 1 385 . 1 1 149 149 ALA CB C 13 22.38 . . 1 . . . . 149 ALA CB . 15170 1 386 . 1 1 149 149 ALA N N 15 125.33 . . 1 . . . . 149 ALA N . 15170 1 387 . 1 1 150 150 LYS H H 1 8.228 . . 1 . . . . 150 LYS H . 15170 1 388 . 1 1 150 150 LYS CA C 13 56.20 . . 1 . . . . 150 LYS CA . 15170 1 389 . 1 1 150 150 LYS CB C 13 34.59 . . 1 . . . . 150 LYS CB . 15170 1 390 . 1 1 150 150 LYS N N 15 122.51 . . 1 . . . . 150 LYS N . 15170 1 391 . 1 1 151 151 VAL H H 1 8.422 . . 1 . . . . 151 VAL H . 15170 1 392 . 1 1 151 151 VAL CA C 13 61.28 . . 1 . . . . 151 VAL CA . 15170 1 393 . 1 1 151 151 VAL CB C 13 30.71 . . 1 . . . . 151 VAL CB . 15170 1 394 . 1 1 151 151 VAL N N 15 127.10 . . 1 . . . . 151 VAL N . 15170 1 395 . 1 1 152 152 LEU H H 1 8.593 . . 1 . . . . 152 LEU H . 15170 1 396 . 1 1 152 152 LEU CA C 13 53.00 . . 1 . . . . 152 LEU CA . 15170 1 397 . 1 1 152 152 LEU CB C 13 43.35 . . 1 . . . . 152 LEU CB . 15170 1 398 . 1 1 152 152 LEU N N 15 125.87 . . 1 . . . . 152 LEU N . 15170 1 399 . 1 1 153 153 ASN H H 1 10.275 . . 1 . . . . 153 ASN H . 15170 1 400 . 1 1 153 153 ASN CA C 13 50.57 . . 1 . . . . 153 ASN CA . 15170 1 401 . 1 1 153 153 ASN CB C 13 39.71 . . 1 . . . . 153 ASN CB . 15170 1 402 . 1 1 153 153 ASN N N 15 127.23 . . 1 . . . . 153 ASN N . 15170 1 403 . 1 1 154 154 ALA H H 1 7.832 . . 1 . . . . 154 ALA H . 15170 1 404 . 1 1 154 154 ALA CA C 13 55.94 . . 1 . . . . 154 ALA CA . 15170 1 405 . 1 1 154 154 ALA CB C 13 18.04 . . 1 . . . . 154 ALA CB . 15170 1 406 . 1 1 154 154 ALA N N 15 130.91 . . 1 . . . . 154 ALA N . 15170 1 407 . 1 1 155 155 LEU H H 1 6.775 . . 1 . . . . 155 LEU H . 15170 1 408 . 1 1 155 155 LEU CA C 13 56.29 . . 1 . . . . 155 LEU CA . 15170 1 409 . 1 1 155 155 LEU CB C 13 39.80 . . 1 . . . . 155 LEU CB . 15170 1 410 . 1 1 155 155 LEU N N 15 113.75 . . 1 . . . . 155 LEU N . 15170 1 411 . 1 1 156 156 ASP H H 1 7.660 . . 1 . . . . 156 ASP H . 15170 1 412 . 1 1 156 156 ASP CA C 13 54.76 . . 1 . . . . 156 ASP CA . 15170 1 413 . 1 1 156 156 ASP CB C 13 42.12 . . 1 . . . . 156 ASP CB . 15170 1 414 . 1 1 156 156 ASP N N 15 120.81 . . 1 . . . . 156 ASP N . 15170 1 415 . 1 1 157 157 TYR H H 1 7.462 . . 1 . . . . 157 TYR H . 15170 1 416 . 1 1 157 157 TYR CA C 13 56.97 . . 1 . . . . 157 TYR CA . 15170 1 417 . 1 1 157 157 TYR CB C 13 38.01 . . 1 . . . . 157 TYR CB . 15170 1 418 . 1 1 157 157 TYR N N 15 116.68 . . 1 . . . . 157 TYR N . 15170 1 419 . 1 1 158 158 GLY H H 1 9.156 . . 1 . . . . 158 GLY H . 15170 1 420 . 1 1 158 158 GLY CA C 13 45.44 . . 1 . . . . 158 GLY CA . 15170 1 421 . 1 1 158 158 GLY N N 15 109.43 . . 1 . . . . 158 GLY N . 15170 1 422 . 1 1 159 159 ILE H H 1 6.940 . . 1 . . . . 159 ILE H . 15170 1 423 . 1 1 159 159 ILE CA C 13 52.38 . . 1 . . . . 159 ILE CA . 15170 1 424 . 1 1 159 159 ILE CB C 13 37.95 . . 1 . . . . 159 ILE CB . 15170 1 425 . 1 1 159 159 ILE N N 15 120.48 . . 1 . . . . 159 ILE N . 15170 1 426 . 1 1 170 170 CYS CA C 13 54.80 . . 1 . . . . 170 CYS CA . 15170 1 427 . 1 1 170 170 CYS CB C 13 30.96 . . 1 . . . . 170 CYS CB . 15170 1 428 . 1 1 171 171 PHE H H 1 7.786 . . 1 . . . . 171 PHE H . 15170 1 429 . 1 1 171 171 PHE CA C 13 56.01 . . 1 . . . . 171 PHE CA . 15170 1 430 . 1 1 171 171 PHE CB C 13 41.53 . . 1 . . . . 171 PHE CB . 15170 1 431 . 1 1 171 171 PHE N N 15 120.43 . . 1 . . . . 171 PHE N . 15170 1 432 . 1 1 172 172 ARG CA C 13 57.55 . . 1 . . . . 172 ARG CA . 15170 1 433 . 1 1 172 172 ARG CB C 13 29.76 . . 1 . . . . 172 ARG CB . 15170 1 434 . 1 1 173 173 ASN H H 1 9.108 . . 1 . . . . 173 ASN H . 15170 1 435 . 1 1 173 173 ASN CA C 13 55.99 . . 1 . . . . 173 ASN CA . 15170 1 436 . 1 1 173 173 ASN CB C 13 37.20 . . 1 . . . . 173 ASN CB . 15170 1 437 . 1 1 173 173 ASN N N 15 126.73 . . 1 . . . . 173 ASN N . 15170 1 438 . 1 1 174 174 ASP H H 1 8.682 . . 1 . . . . 174 ASP H . 15170 1 439 . 1 1 174 174 ASP CA C 13 54.87 . . 1 . . . . 174 ASP CA . 15170 1 440 . 1 1 174 174 ASP CB C 13 38.39 . . 1 . . . . 174 ASP CB . 15170 1 441 . 1 1 174 174 ASP N N 15 118.14 . . 1 . . . . 174 ASP N . 15170 1 442 . 1 1 175 175 LEU H H 1 7.469 . . 1 . . . . 175 LEU H . 15170 1 443 . 1 1 175 175 LEU CA C 13 55.06 . . 1 . . . . 175 LEU CA . 15170 1 444 . 1 1 175 175 LEU CB C 13 40.86 . . 1 . . . . 175 LEU CB . 15170 1 445 . 1 1 175 175 LEU N N 15 118.87 . . 1 . . . . 175 LEU N . 15170 1 446 . 1 1 176 176 ASN H H 1 7.774 . . 1 . . . . 176 ASN H . 15170 1 447 . 1 1 176 176 ASN CA C 13 53.30 . . 1 . . . . 176 ASN CA . 15170 1 448 . 1 1 176 176 ASN CB C 13 36.80 . . 1 . . . . 176 ASN CB . 15170 1 449 . 1 1 176 176 ASN N N 15 115.56 . . 1 . . . . 176 ASN N . 15170 1 450 . 1 1 177 177 ILE H H 1 8.678 . . 1 . . . . 177 ILE H . 15170 1 451 . 1 1 177 177 ILE CA C 13 59.41 . . 1 . . . . 177 ILE CA . 15170 1 452 . 1 1 177 177 ILE CB C 13 34.16 . . 1 . . . . 177 ILE CB . 15170 1 453 . 1 1 177 177 ILE N N 15 120.16 . . 1 . . . . 177 ILE N . 15170 1 454 . 1 1 178 178 GLN H H 1 8.571 . . 1 . . . . 178 GLN H . 15170 1 455 . 1 1 178 178 GLN CA C 13 55.09 . . 1 . . . . 178 GLN CA . 15170 1 456 . 1 1 178 178 GLN CB C 13 38.10 . . 1 . . . . 178 GLN CB . 15170 1 457 . 1 1 178 178 GLN N N 15 126.88 . . 1 . . . . 178 GLN N . 15170 1 458 . 1 1 179 179 ASN H H 1 8.035 . . 1 . . . . 179 ASN H . 15170 1 459 . 1 1 179 179 ASN CA C 13 52.21 . . 1 . . . . 179 ASN CA . 15170 1 460 . 1 1 179 179 ASN CB C 13 38.79 . . 1 . . . . 179 ASN CB . 15170 1 461 . 1 1 179 179 ASN N N 15 117.78 . . 1 . . . . 179 ASN N . 15170 1 462 . 1 1 180 180 PHE H H 1 7.916 . . 1 . . . . 180 PHE H . 15170 1 463 . 1 1 180 180 PHE CA C 13 58.73 . . 1 . . . . 180 PHE CA . 15170 1 464 . 1 1 180 180 PHE CB C 13 38.71 . . 1 . . . . 180 PHE CB . 15170 1 465 . 1 1 180 180 PHE N N 15 121.93 . . 1 . . . . 180 PHE N . 15170 1 466 . 1 1 181 181 GLN H H 1 7.048 . . 1 . . . . 181 GLN H . 15170 1 467 . 1 1 181 181 GLN CA C 13 52.60 . . 1 . . . . 181 GLN CA . 15170 1 468 . 1 1 181 181 GLN CB C 13 30.47 . . 1 . . . . 181 GLN CB . 15170 1 469 . 1 1 181 181 GLN N N 15 126.72 . . 1 . . . . 181 GLN N . 15170 1 470 . 1 1 182 182 PHE H H 1 8.457 . . 1 . . . . 182 PHE H . 15170 1 471 . 1 1 182 182 PHE CA C 13 57.85 . . 1 . . . . 182 PHE CA . 15170 1 472 . 1 1 182 182 PHE CB C 13 37.16 . . 1 . . . . 182 PHE CB . 15170 1 473 . 1 1 182 182 PHE N N 15 120.65 . . 1 . . . . 182 PHE N . 15170 1 474 . 1 1 185 185 PRO CA C 13 61.67 . . 1 . . . . 185 PRO CA . 15170 1 475 . 1 1 185 185 PRO CB C 13 33.59 . . 1 . . . . 185 PRO CB . 15170 1 476 . 1 1 186 186 PHE H H 1 7.843 . . 1 . . . . 186 PHE H . 15170 1 477 . 1 1 186 186 PHE CA C 13 54.94 . . 1 . . . . 186 PHE CA . 15170 1 478 . 1 1 186 186 PHE CB C 13 40.01 . . 1 . . . . 186 PHE CB . 15170 1 479 . 1 1 186 186 PHE N N 15 115.64 . . 1 . . . . 186 PHE N . 15170 1 480 . 1 1 187 187 GLU H H 1 8.611 . . 1 . . . . 187 GLU H . 15170 1 481 . 1 1 187 187 GLU CA C 13 56.85 . . 1 . . . . 187 GLU CA . 15170 1 482 . 1 1 187 187 GLU CB C 13 29.67 . . 1 . . . . 187 GLU CB . 15170 1 483 . 1 1 187 187 GLU N N 15 123.76 . . 1 . . . . 187 GLU N . 15170 1 484 . 1 1 188 188 LEU H H 1 8.334 . . 1 . . . . 188 LEU H . 15170 1 485 . 1 1 188 188 LEU CA C 13 55.24 . . 1 . . . . 188 LEU CA . 15170 1 486 . 1 1 188 188 LEU CB C 13 40.65 . . 1 . . . . 188 LEU CB . 15170 1 487 . 1 1 188 188 LEU N N 15 128.61 . . 1 . . . . 188 LEU N . 15170 1 488 . 1 1 189 189 ASN H H 1 8.541 . . 1 . . . . 189 ASN H . 15170 1 489 . 1 1 189 189 ASN CA C 13 52.05 . . 1 . . . . 189 ASN CA . 15170 1 490 . 1 1 189 189 ASN CB C 13 39.90 . . 1 . . . . 189 ASN CB . 15170 1 491 . 1 1 189 189 ASN N N 15 123.70 . . 1 . . . . 189 ASN N . 15170 1 492 . 1 1 190 190 THR H H 1 6.300 . . 1 . . . . 190 THR H . 15170 1 493 . 1 1 190 190 THR CA C 13 61.25 . . 1 . . . . 190 THR CA . 15170 1 494 . 1 1 190 190 THR CB C 13 71.06 . . 1 . . . . 190 THR CB . 15170 1 495 . 1 1 190 190 THR N N 15 117.81 . . 1 . . . . 190 THR N . 15170 1 496 . 1 1 191 191 PHE H H 1 9.131 . . 1 . . . . 191 PHE H . 15170 1 497 . 1 1 191 191 PHE CA C 13 57.23 . . 1 . . . . 191 PHE CA . 15170 1 498 . 1 1 191 191 PHE CB C 13 40.53 . . 1 . . . . 191 PHE CB . 15170 1 499 . 1 1 191 191 PHE N N 15 121.95 . . 1 . . . . 191 PHE N . 15170 1 500 . 1 1 192 192 VAL H H 1 8.094 . . 1 . . . . 192 VAL H . 15170 1 501 . 1 1 192 192 VAL CA C 13 68.70 . . 1 . . . . 192 VAL CA . 15170 1 502 . 1 1 192 192 VAL CB C 13 29.64 . . 1 . . . . 192 VAL CB . 15170 1 503 . 1 1 192 192 VAL N N 15 121.80 . . 1 . . . . 192 VAL N . 15170 1 504 . 1 1 193 193 LYS H H 1 9.005 . . 1 . . . . 193 LYS H . 15170 1 505 . 1 1 193 193 LYS CA C 13 57.39 . . 1 . . . . 193 LYS CA . 15170 1 506 . 1 1 193 193 LYS CB C 13 29.54 . . 1 . . . . 193 LYS CB . 15170 1 507 . 1 1 193 193 LYS N N 15 112.92 . . 1 . . . . 193 LYS N . 15170 1 508 . 1 1 194 194 ASP H H 1 7.528 . . 1 . . . . 194 ASP H . 15170 1 509 . 1 1 194 194 ASP CA C 13 56.21 . . 1 . . . . 194 ASP CA . 15170 1 510 . 1 1 194 194 ASP CB C 13 41.43 . . 1 . . . . 194 ASP CB . 15170 1 511 . 1 1 194 194 ASP N N 15 119.45 . . 1 . . . . 194 ASP N . 15170 1 512 . 1 1 195 195 LEU H H 1 7.939 . . 1 . . . . 195 LEU H . 15170 1 513 . 1 1 195 195 LEU CA C 13 53.44 . . 1 . . . . 195 LEU CA . 15170 1 514 . 1 1 195 195 LEU CB C 13 41.36 . . 1 . . . . 195 LEU CB . 15170 1 515 . 1 1 195 195 LEU N N 15 118.13 . . 1 . . . . 195 LEU N . 15170 1 516 . 1 1 196 196 LEU H H 1 6.458 . . 1 . . . . 196 LEU H . 15170 1 517 . 1 1 196 196 LEU CA C 13 54.37 . . 1 . . . . 196 LEU CA . 15170 1 518 . 1 1 196 196 LEU CB C 13 40.52 . . 1 . . . . 196 LEU CB . 15170 1 519 . 1 1 196 196 LEU N N 15 117.63 . . 1 . . . . 196 LEU N . 15170 1 520 . 1 1 197 197 LEU H H 1 10.084 . . 1 . . . . 197 LEU H . 15170 1 521 . 1 1 197 197 LEU CA C 13 52.73 . . 1 . . . . 197 LEU CA . 15170 1 522 . 1 1 197 197 LEU N N 15 125.76 . . 1 . . . . 197 LEU N . 15170 1 523 . 1 1 198 198 PRO CA C 13 62.19 . . 1 . . . . 198 PRO CA . 15170 1 524 . 1 1 198 198 PRO CB C 13 31.43 . . 1 . . . . 198 PRO CB . 15170 1 525 . 1 1 199 199 ASP H H 1 8.474 . . 1 . . . . 199 ASP H . 15170 1 526 . 1 1 199 199 ASP CA C 13 56.69 . . 1 . . . . 199 ASP CA . 15170 1 527 . 1 1 199 199 ASP CB C 13 39.77 . . 1 . . . . 199 ASP CB . 15170 1 528 . 1 1 199 199 ASP N N 15 122.06 . . 1 . . . . 199 ASP N . 15170 1 529 . 1 1 200 200 SER H H 1 8.277 . . 1 . . . . 200 SER H . 15170 1 530 . 1 1 200 200 SER CA C 13 60.29 . . 1 . . . . 200 SER CA . 15170 1 531 . 1 1 200 200 SER CB C 13 61.72 . . 1 . . . . 200 SER CB . 15170 1 532 . 1 1 200 200 SER N N 15 112.71 . . 1 . . . . 200 SER N . 15170 1 533 . 1 1 201 201 GLU H H 1 7.744 . . 1 . . . . 201 GLU H . 15170 1 534 . 1 1 201 201 GLU CA C 13 56.38 . . 1 . . . . 201 GLU CA . 15170 1 535 . 1 1 201 201 GLU CB C 13 30.57 . . 1 . . . . 201 GLU CB . 15170 1 536 . 1 1 201 201 GLU N N 15 119.92 . . 1 . . . . 201 GLU N . 15170 1 537 . 1 1 202 202 VAL H H 1 7.258 . . 1 . . . . 202 VAL H . 15170 1 538 . 1 1 202 202 VAL CA C 13 60.01 . . 1 . . . . 202 VAL CA . 15170 1 539 . 1 1 202 202 VAL CB C 13 32.18 . . 1 . . . . 202 VAL CB . 15170 1 540 . 1 1 202 202 VAL N N 15 107.33 . . 1 . . . . 202 VAL N . 15170 1 541 . 1 1 203 203 GLU H H 1 7.637 . . 1 . . . . 203 GLU H . 15170 1 542 . 1 1 203 203 GLU CA C 13 58.94 . . 1 . . . . 203 GLU CA . 15170 1 543 . 1 1 203 203 GLU CB C 13 28.83 . . 1 . . . . 203 GLU CB . 15170 1 544 . 1 1 203 203 GLU N N 15 123.01 . . 1 . . . . 203 GLU N . 15170 1 545 . 1 1 204 204 HIS CA C 13 57.27 . . 1 . . . . 204 HIS CA . 15170 1 546 . 1 1 204 204 HIS CB C 13 28.58 . . 1 . . . . 204 HIS CB . 15170 1 547 . 1 1 205 205 LEU H H 1 7.659 . . 1 . . . . 205 LEU H . 15170 1 548 . 1 1 205 205 LEU CA C 13 53.91 . . 1 . . . . 205 LEU CA . 15170 1 549 . 1 1 205 205 LEU CB C 13 40.98 . . 1 . . . . 205 LEU CB . 15170 1 550 . 1 1 205 205 LEU N N 15 121.88 . . 1 . . . . 205 LEU N . 15170 1 551 . 1 1 206 206 VAL H H 1 7.029 . . 1 . . . . 206 VAL H . 15170 1 552 . 1 1 206 206 VAL CA C 13 63.17 . . 1 . . . . 206 VAL CA . 15170 1 553 . 1 1 206 206 VAL CB C 13 31.50 . . 1 . . . . 206 VAL CB . 15170 1 554 . 1 1 206 206 VAL N N 15 121.08 . . 1 . . . . 206 VAL N . 15170 1 555 . 1 1 207 207 ILE H H 1 8.554 . . 1 . . . . 207 ILE H . 15170 1 556 . 1 1 207 207 ILE CA C 13 58.90 . . 1 . . . . 207 ILE CA . 15170 1 557 . 1 1 207 207 ILE CB C 13 39.43 . . 1 . . . . 207 ILE CB . 15170 1 558 . 1 1 207 207 ILE N N 15 129.05 . . 1 . . . . 207 ILE N . 15170 1 559 . 1 1 208 208 ASP H H 1 8.611 . . 1 . . . . 208 ASP H . 15170 1 560 . 1 1 208 208 ASP CA C 13 52.62 . . 1 . . . . 208 ASP CA . 15170 1 561 . 1 1 208 208 ASP CB C 13 41.13 . . 1 . . . . 208 ASP CB . 15170 1 562 . 1 1 208 208 ASP N N 15 127.88 . . 1 . . . . 208 ASP N . 15170 1 563 . 1 1 209 209 ARG H H 1 8.872 . . 1 . . . . 209 ARG H . 15170 1 564 . 1 1 209 209 ARG CB C 13 30.09 . . 1 . . . . 209 ARG CB . 15170 1 565 . 1 1 209 209 ARG N N 15 124.76 . . 1 . . . . 209 ARG N . 15170 1 566 . 1 1 210 210 LYS CA C 13 56.51 . . 1 . . . . 210 LYS CA . 15170 1 567 . 1 1 210 210 LYS CB C 13 30.87 . . 1 . . . . 210 LYS CB . 15170 1 568 . 1 1 211 211 ASP H H 1 8.788 . . 1 . . . . 211 ASP H . 15170 1 569 . 1 1 211 211 ASP CA C 13 52.20 . . 1 . . . . 211 ASP CA . 15170 1 570 . 1 1 211 211 ASP CB C 13 38.23 . . 1 . . . . 211 ASP CB . 15170 1 571 . 1 1 211 211 ASP N N 15 117.91 . . 1 . . . . 211 ASP N . 15170 1 572 . 1 1 212 212 LEU H H 1 6.690 . . 1 . . . . 212 LEU H . 15170 1 573 . 1 1 212 212 LEU CA C 13 55.33 . . 1 . . . . 212 LEU CA . 15170 1 574 . 1 1 212 212 LEU CB C 13 41.50 . . 1 . . . . 212 LEU CB . 15170 1 575 . 1 1 212 212 LEU N N 15 121.02 . . 1 . . . . 212 LEU N . 15170 1 576 . 1 1 213 213 VAL H H 1 9.149 . . 1 . . . . 213 VAL H . 15170 1 577 . 1 1 213 213 VAL CA C 13 61.26 . . 1 . . . . 213 VAL CA . 15170 1 578 . 1 1 213 213 VAL CB C 13 33.41 . . 1 . . . . 213 VAL CB . 15170 1 579 . 1 1 213 213 VAL N N 15 131.26 . . 1 . . . . 213 VAL N . 15170 1 580 . 1 1 214 214 MET H H 1 8.584 . . 1 . . . . 214 MET H . 15170 1 581 . 1 1 214 214 MET CA C 13 53.09 . . 1 . . . . 214 MET CA . 15170 1 582 . 1 1 214 214 MET CB C 13 29.09 . . 1 . . . . 214 MET CB . 15170 1 583 . 1 1 214 214 MET N N 15 125.43 . . 1 . . . . 214 MET N . 15170 1 584 . 1 1 215 215 THR H H 1 8.964 . . 1 . . . . 215 THR H . 15170 1 585 . 1 1 215 215 THR CA C 13 61.76 . . 1 . . . . 215 THR CA . 15170 1 586 . 1 1 215 215 THR CB C 13 68.76 . . 1 . . . . 215 THR CB . 15170 1 587 . 1 1 215 215 THR N N 15 118.14 . . 1 . . . . 215 THR N . 15170 1 588 . 1 1 216 216 ASN H H 1 8.044 . . 1 . . . . 216 ASN H . 15170 1 589 . 1 1 216 216 ASN CA C 13 51.96 . . 1 . . . . 216 ASN CA . 15170 1 590 . 1 1 216 216 ASN CB C 13 41.97 . . 1 . . . . 216 ASN CB . 15170 1 591 . 1 1 216 216 ASN N N 15 121.55 . . 1 . . . . 216 ASN N . 15170 1 592 . 1 1 217 217 GLN H H 1 8.095 . . 1 . . . . 217 GLN H . 15170 1 593 . 1 1 217 217 GLN CA C 13 54.49 . . 1 . . . . 217 GLN CA . 15170 1 594 . 1 1 217 217 GLN CB C 13 29.21 . . 1 . . . . 217 GLN CB . 15170 1 595 . 1 1 217 217 GLN N N 15 119.20 . . 1 . . . . 217 GLN N . 15170 1 596 . 1 1 218 218 GLU H H 1 8.072 . . 1 . . . . 218 GLU H . 15170 1 597 . 1 1 218 218 GLU CA C 13 55.60 . . 1 . . . . 218 GLU CA . 15170 1 598 . 1 1 218 218 GLU CB C 13 28.87 . . 1 . . . . 218 GLU CB . 15170 1 599 . 1 1 218 218 GLU N N 15 121.52 . . 1 . . . . 218 GLU N . 15170 1 600 . 1 1 219 219 ILE H H 1 8.995 . . 1 . . . . 219 ILE H . 15170 1 601 . 1 1 219 219 ILE CA C 13 60.24 . . 1 . . . . 219 ILE CA . 15170 1 602 . 1 1 219 219 ILE CB C 13 38.60 . . 1 . . . . 219 ILE CB . 15170 1 603 . 1 1 219 219 ILE N N 15 123.25 . . 1 . . . . 219 ILE N . 15170 1 604 . 1 1 220 220 GLU H H 1 8.309 . . 1 . . . . 220 GLU H . 15170 1 605 . 1 1 220 220 GLU CA C 13 56.85 . . 1 . . . . 220 GLU CA . 15170 1 606 . 1 1 220 220 GLU CB C 13 29.95 . . 1 . . . . 220 GLU CB . 15170 1 607 . 1 1 220 220 GLU N N 15 119.71 . . 1 . . . . 220 GLU N . 15170 1 608 . 1 1 221 221 GLN H H 1 7.471 . . 1 . . . . 221 GLN H . 15170 1 609 . 1 1 221 221 GLN CA C 13 53.64 . . 1 . . . . 221 GLN CA . 15170 1 610 . 1 1 221 221 GLN CB C 13 29.47 . . 1 . . . . 221 GLN CB . 15170 1 611 . 1 1 221 221 GLN N N 15 117.92 . . 1 . . . . 221 GLN N . 15170 1 612 . 1 1 222 222 THR H H 1 7.561 . . 1 . . . . 222 THR H . 15170 1 613 . 1 1 222 222 THR CA C 13 59.62 . . 1 . . . . 222 THR CA . 15170 1 614 . 1 1 222 222 THR CB C 13 68.35 . . 1 . . . . 222 THR CB . 15170 1 615 . 1 1 222 222 THR N N 15 112.47 . . 1 . . . . 222 THR N . 15170 1 616 . 1 1 223 223 THR H H 1 7.637 . . 1 . . . . 223 THR H . 15170 1 617 . 1 1 223 223 THR CA C 13 57.04 . . 1 . . . . 223 THR CA . 15170 1 618 . 1 1 223 223 THR CB C 13 70.69 . . 1 . . . . 223 THR CB . 15170 1 619 . 1 1 223 223 THR N N 15 116.40 . . 1 . . . . 223 THR N . 15170 1 620 . 1 1 224 224 PRO CA C 13 61.57 . . 1 . . . . 224 PRO CA . 15170 1 621 . 1 1 224 224 PRO CB C 13 27.27 . . 1 . . . . 224 PRO CB . 15170 1 622 . 1 1 225 225 LYS H H 1 8.538 . . 1 . . . . 225 LYS H . 15170 1 623 . 1 1 225 225 LYS CA C 13 54.43 . . 1 . . . . 225 LYS CA . 15170 1 624 . 1 1 225 225 LYS CB C 13 35.47 . . 1 . . . . 225 LYS CB . 15170 1 625 . 1 1 225 225 LYS N N 15 120.21 . . 1 . . . . 225 LYS N . 15170 1 626 . 1 1 226 226 THR H H 1 8.530 . . 1 . . . . 226 THR H . 15170 1 627 . 1 1 226 226 THR CA C 13 59.78 . . 1 . . . . 226 THR CA . 15170 1 628 . 1 1 226 226 THR CB C 13 68.73 . . 1 . . . . 226 THR CB . 15170 1 629 . 1 1 226 226 THR N N 15 113.83 . . 1 . . . . 226 THR N . 15170 1 630 . 1 1 227 227 VAL H H 1 9.463 . . 1 . . . . 227 VAL H . 15170 1 631 . 1 1 227 227 VAL CA C 13 61.17 . . 1 . . . . 227 VAL CA . 15170 1 632 . 1 1 227 227 VAL CB C 13 32.87 . . 1 . . . . 227 VAL CB . 15170 1 633 . 1 1 227 227 VAL N N 15 128.15 . . 1 . . . . 227 VAL N . 15170 1 634 . 1 1 228 228 ARG H H 1 8.751 . . 1 . . . . 228 ARG H . 15170 1 635 . 1 1 228 228 ARG CA C 13 56.00 . . 1 . . . . 228 ARG CA . 15170 1 636 . 1 1 228 228 ARG CB C 13 29.60 . . 1 . . . . 228 ARG CB . 15170 1 637 . 1 1 228 228 ARG N N 15 129.92 . . 1 . . . . 228 ARG N . 15170 1 638 . 1 1 229 229 LEU H H 1 9.285 . . 1 . . . . 229 LEU H . 15170 1 639 . 1 1 229 229 LEU CA C 13 54.43 . . 1 . . . . 229 LEU CA . 15170 1 640 . 1 1 229 229 LEU N N 15 126.62 . . 1 . . . . 229 LEU N . 15170 1 641 . 1 1 230 230 GLY H H 1 7.406 . . 1 . . . . 230 GLY H . 15170 1 642 . 1 1 230 230 GLY CA C 13 45.96 . . 1 . . . . 230 GLY CA . 15170 1 643 . 1 1 230 230 GLY N N 15 103.87 . . 1 . . . . 230 GLY N . 15170 1 644 . 1 1 231 231 ILE H H 1 8.728 . . 1 . . . . 231 ILE H . 15170 1 645 . 1 1 231 231 ILE CA C 13 58.83 . . 1 . . . . 231 ILE CA . 15170 1 646 . 1 1 231 231 ILE CB C 13 43.13 . . 1 . . . . 231 ILE CB . 15170 1 647 . 1 1 231 231 ILE N N 15 113.22 . . 1 . . . . 231 ILE N . 15170 1 648 . 1 1 232 232 VAL H H 1 8.117 . . 1 . . . . 232 VAL H . 15170 1 649 . 1 1 232 232 VAL CA C 13 58.40 . . 1 . . . . 232 VAL CA . 15170 1 650 . 1 1 232 232 VAL CB C 13 33.33 . . 1 . . . . 232 VAL CB . 15170 1 651 . 1 1 232 232 VAL N N 15 112.17 . . 1 . . . . 232 VAL N . 15170 1 652 . 1 1 233 233 GLY H H 1 7.934 . . 1 . . . . 233 GLY H . 15170 1 653 . 1 1 233 233 GLY CA C 13 46.93 . . 1 . . . . 233 GLY CA . 15170 1 654 . 1 1 233 233 GLY N N 15 108.76 . . 1 . . . . 233 GLY N . 15170 1 655 . 1 1 234 234 LYS H H 1 8.480 . . 1 . . . . 234 LYS H . 15170 1 656 . 1 1 234 234 LYS CA C 13 55.34 . . 1 . . . . 234 LYS CA . 15170 1 657 . 1 1 234 234 LYS CB C 13 31.46 . . 1 . . . . 234 LYS CB . 15170 1 658 . 1 1 234 234 LYS N N 15 124.89 . . 1 . . . . 234 LYS N . 15170 1 659 . 1 1 235 235 GLY H H 1 8.726 . . 1 . . . . 235 GLY H . 15170 1 660 . 1 1 235 235 GLY CA C 13 47.51 . . 1 . . . . 235 GLY CA . 15170 1 661 . 1 1 235 235 GLY N N 15 110.30 . . 1 . . . . 235 GLY N . 15170 1 662 . 1 1 236 236 GLY H H 1 9.162 . . 1 . . . . 236 GLY H . 15170 1 663 . 1 1 236 236 GLY CA C 13 43.53 . . 1 . . . . 236 GLY CA . 15170 1 664 . 1 1 236 236 GLY N N 15 110.93 . . 1 . . . . 236 GLY N . 15170 1 665 . 1 1 237 237 GLN H H 1 8.488 . . 1 . . . . 237 GLN H . 15170 1 666 . 1 1 237 237 GLN CA C 13 57.73 . . 1 . . . . 237 GLN CA . 15170 1 667 . 1 1 237 237 GLN CB C 13 27.58 . . 1 . . . . 237 GLN CB . 15170 1 668 . 1 1 237 237 GLN N N 15 120.47 . . 1 . . . . 237 GLN N . 15170 1 669 . 1 1 238 238 GLY H H 1 8.925 . . 1 . . . . 238 GLY H . 15170 1 670 . 1 1 238 238 GLY CA C 13 45.54 . . 1 . . . . 238 GLY CA . 15170 1 671 . 1 1 238 238 GLY N N 15 114.05 . . 1 . . . . 238 GLY N . 15170 1 672 . 1 1 239 239 GLU H H 1 8.053 . . 1 . . . . 239 GLU H . 15170 1 673 . 1 1 239 239 GLU CA C 13 54.31 . . 1 . . . . 239 GLU CA . 15170 1 674 . 1 1 239 239 GLU N N 15 118.10 . . 1 . . . . 239 GLU N . 15170 1 675 . 1 1 240 240 ARG H H 1 7.968 . . 1 . . . . 240 ARG H . 15170 1 676 . 1 1 240 240 ARG CA C 13 54.91 . . 1 . . . . 240 ARG CA . 15170 1 677 . 1 1 240 240 ARG CB C 13 33.83 . . 1 . . . . 240 ARG CB . 15170 1 678 . 1 1 240 240 ARG N N 15 118.57 . . 1 . . . . 240 ARG N . 15170 1 679 . 1 1 241 241 ILE H H 1 7.993 . . 1 . . . . 241 ILE H . 15170 1 680 . 1 1 241 241 ILE CA C 13 57.99 . . 1 . . . . 241 ILE CA . 15170 1 681 . 1 1 241 241 ILE CB C 13 38.18 . . 1 . . . . 241 ILE CB . 15170 1 682 . 1 1 241 241 ILE N N 15 121.37 . . 1 . . . . 241 ILE N . 15170 1 683 . 1 1 242 242 TYR H H 1 8.739 . . 1 . . . . 242 TYR H . 15170 1 684 . 1 1 242 242 TYR CA C 13 57.06 . . 1 . . . . 242 TYR CA . 15170 1 685 . 1 1 242 242 TYR CB C 13 40.40 . . 1 . . . . 242 TYR CB . 15170 1 686 . 1 1 242 242 TYR N N 15 127.66 . . 1 . . . . 242 TYR N . 15170 1 687 . 1 1 243 243 SER H H 1 8.547 . . 1 . . . . 243 SER H . 15170 1 688 . 1 1 243 243 SER CA C 13 57.13 . . 1 . . . . 243 SER CA . 15170 1 689 . 1 1 243 243 SER CB C 13 62.94 . . 1 . . . . 243 SER CB . 15170 1 690 . 1 1 243 243 SER N N 15 111.17 . . 1 . . . . 243 SER N . 15170 1 691 . 1 1 246 246 GLY H H 1 6.635 . . 1 . . . . 246 GLY H . 15170 1 692 . 1 1 246 246 GLY CA C 13 44.10 . . 1 . . . . 246 GLY CA . 15170 1 693 . 1 1 246 246 GLY N N 15 104.63 . . 1 . . . . 246 GLY N . 15170 1 694 . 1 1 247 247 ILE H H 1 7.276 . . 1 . . . . 247 ILE H . 15170 1 695 . 1 1 247 247 ILE CA C 13 58.16 . . 1 . . . . 247 ILE CA . 15170 1 696 . 1 1 247 247 ILE CB C 13 38.46 . . 1 . . . . 247 ILE CB . 15170 1 697 . 1 1 247 247 ILE N N 15 112.12 . . 1 . . . . 247 ILE N . 15170 1 698 . 1 1 248 248 ALA H H 1 7.900 . . 1 . . . . 248 ALA H . 15170 1 699 . 1 1 248 248 ALA CA C 13 51.02 . . 1 . . . . 248 ALA CA . 15170 1 700 . 1 1 248 248 ALA CB C 13 17.65 . . 1 . . . . 248 ALA CB . 15170 1 701 . 1 1 248 248 ALA N N 15 122.67 . . 1 . . . . 248 ALA N . 15170 1 702 . 1 1 249 249 ILE H H 1 6.844 . . 1 . . . . 249 ILE H . 15170 1 703 . 1 1 249 249 ILE CA C 13 58.97 . . 1 . . . . 249 ILE CA . 15170 1 704 . 1 1 249 249 ILE N N 15 115.09 . . 1 . . . . 249 ILE N . 15170 1 705 . 1 1 250 250 THR H H 1 7.071 . . 1 . . . . 250 THR H . 15170 1 706 . 1 1 250 250 THR CA C 13 62.32 . . 1 . . . . 250 THR CA . 15170 1 707 . 1 1 250 250 THR CB C 13 69.57 . . 1 . . . . 250 THR CB . 15170 1 708 . 1 1 250 250 THR N N 15 115.22 . . 1 . . . . 250 THR N . 15170 1 709 . 1 1 251 251 LEU H H 1 7.845 . . 1 . . . . 251 LEU H . 15170 1 710 . 1 1 251 251 LEU CA C 13 55.39 . . 1 . . . . 251 LEU CA . 15170 1 711 . 1 1 251 251 LEU CB C 13 40.25 . . 1 . . . . 251 LEU CB . 15170 1 712 . 1 1 251 251 LEU N N 15 128.18 . . 1 . . . . 251 LEU N . 15170 1 713 . 1 1 252 252 SER H H 1 8.289 . . 1 . . . . 252 SER H . 15170 1 714 . 1 1 252 252 SER CA C 13 55.77 . . 1 . . . . 252 SER CA . 15170 1 715 . 1 1 252 252 SER CB C 13 65.03 . . 1 . . . . 252 SER CB . 15170 1 716 . 1 1 252 252 SER N N 15 116.89 . . 1 . . . . 252 SER N . 15170 1 717 . 1 1 253 253 ALA H H 1 8.453 . . 1 . . . . 253 ALA H . 15170 1 718 . 1 1 253 253 ALA CA C 13 52.20 . . 1 . . . . 253 ALA CA . 15170 1 719 . 1 1 253 253 ALA CB C 13 19.27 . . 1 . . . . 253 ALA CB . 15170 1 720 . 1 1 253 253 ALA N N 15 124.08 . . 1 . . . . 253 ALA N . 15170 1 721 . 1 1 254 254 TYR H H 1 7.898 . . 1 . . . . 254 TYR H . 15170 1 722 . 1 1 254 254 TYR CA C 13 56.14 . . 1 . . . . 254 TYR CA . 15170 1 723 . 1 1 254 254 TYR CB C 13 39.90 . . 1 . . . . 254 TYR CB . 15170 1 724 . 1 1 254 254 TYR N N 15 116.73 . . 1 . . . . 254 TYR N . 15170 1 725 . 1 1 255 255 GLY CA C 13 44.62 . . 1 . . . . 255 GLY CA . 15170 1 726 . 1 1 256 256 GLY H H 1 8.052 . . 1 . . . . 256 GLY H . 15170 1 727 . 1 1 256 256 GLY CA C 13 43.68 . . 1 . . . . 256 GLY CA . 15170 1 728 . 1 1 256 256 GLY N N 15 109.59 . . 1 . . . . 256 GLY N . 15170 1 729 . 1 1 257 257 GLY H H 1 8.003 . . 1 . . . . 257 GLY H . 15170 1 730 . 1 1 257 257 GLY CA C 13 43.41 . . 1 . . . . 257 GLY CA . 15170 1 731 . 1 1 257 257 GLY N N 15 107.17 . . 1 . . . . 257 GLY N . 15170 1 732 . 1 1 258 258 ILE H H 1 7.659 . . 1 . . . . 258 ILE H . 15170 1 733 . 1 1 258 258 ILE CA C 13 62.25 . . 1 . . . . 258 ILE CA . 15170 1 734 . 1 1 258 258 ILE CB C 13 36.93 . . 1 . . . . 258 ILE CB . 15170 1 735 . 1 1 258 258 ILE N N 15 121.27 . . 1 . . . . 258 ILE N . 15170 1 736 . 1 1 259 259 PHE H H 1 8.931 . . 1 . . . . 259 PHE H . 15170 1 737 . 1 1 259 259 PHE CA C 13 54.77 . . 1 . . . . 259 PHE CA . 15170 1 738 . 1 1 259 259 PHE CB C 13 36.08 . . 1 . . . . 259 PHE CB . 15170 1 739 . 1 1 259 259 PHE N N 15 120.51 . . 1 . . . . 259 PHE N . 15170 1 740 . 1 1 260 260 ALA CA C 13 53.16 . . 1 . . . . 260 ALA CA . 15170 1 741 . 1 1 260 260 ALA CB C 13 19.60 . . 1 . . . . 260 ALA CB . 15170 1 742 . 1 1 261 261 LYS H H 1 8.589 . . 1 . . . . 261 LYS H . 15170 1 743 . 1 1 261 261 LYS CA C 13 60.36 . . 1 . . . . 261 LYS CA . 15170 1 744 . 1 1 261 261 LYS N N 15 115.15 . . 1 . . . . 261 LYS N . 15170 1 745 . 1 1 262 262 THR H H 1 8.076 . . 1 . . . . 262 THR H . 15170 1 746 . 1 1 262 262 THR CA C 13 61.28 . . 1 . . . . 262 THR CA . 15170 1 747 . 1 1 262 262 THR CB C 13 70.18 . . 1 . . . . 262 THR CB . 15170 1 748 . 1 1 262 262 THR N N 15 106.37 . . 1 . . . . 262 THR N . 15170 1 749 . 1 1 263 263 GLY H H 1 7.453 . . 1 . . . . 263 GLY H . 15170 1 750 . 1 1 263 263 GLY CA C 13 44.36 . . 1 . . . . 263 GLY CA . 15170 1 751 . 1 1 263 263 GLY N N 15 109.13 . . 1 . . . . 263 GLY N . 15170 1 752 . 1 1 264 264 GLY H H 1 6.474 . . 1 . . . . 264 GLY H . 15170 1 753 . 1 1 264 264 GLY CA C 13 42.84 . . 1 . . . . 264 GLY CA . 15170 1 754 . 1 1 264 264 GLY N N 15 103.90 . . 1 . . . . 264 GLY N . 15170 1 755 . 1 1 265 265 TYR H H 1 8.478 . . 1 . . . . 265 TYR H . 15170 1 756 . 1 1 265 265 TYR CA C 13 56.71 . . 1 . . . . 265 TYR CA . 15170 1 757 . 1 1 265 265 TYR CB C 13 41.64 . . 1 . . . . 265 TYR CB . 15170 1 758 . 1 1 265 265 TYR N N 15 119.00 . . 1 . . . . 265 TYR N . 15170 1 759 . 1 1 266 266 LEU H H 1 7.271 . . 1 . . . . 266 LEU H . 15170 1 760 . 1 1 266 266 LEU CA C 13 52.95 . . 1 . . . . 266 LEU CA . 15170 1 761 . 1 1 266 266 LEU CB C 13 41.70 . . 1 . . . . 266 LEU CB . 15170 1 762 . 1 1 266 266 LEU N N 15 123.45 . . 1 . . . . 266 LEU N . 15170 1 763 . 1 1 267 267 VAL H H 1 9.295 . . 1 . . . . 267 VAL H . 15170 1 764 . 1 1 267 267 VAL CA C 13 60.88 . . 1 . . . . 267 VAL CA . 15170 1 765 . 1 1 267 267 VAL CB C 13 32.10 . . 1 . . . . 267 VAL CB . 15170 1 766 . 1 1 267 267 VAL N N 15 129.62 . . 1 . . . . 267 VAL N . 15170 1 767 . 1 1 268 268 ASN H H 1 9.426 . . 1 . . . . 268 ASN H . 15170 1 768 . 1 1 268 268 ASN CA C 13 53.71 . . 1 . . . . 268 ASN CA . 15170 1 769 . 1 1 268 268 ASN CB C 13 36.86 . . 1 . . . . 268 ASN CB . 15170 1 770 . 1 1 268 268 ASN N N 15 128.08 . . 1 . . . . 268 ASN N . 15170 1 771 . 1 1 269 269 GLY H H 1 8.274 . . 1 . . . . 269 GLY H . 15170 1 772 . 1 1 269 269 GLY CA C 13 45.01 . . 1 . . . . 269 GLY CA . 15170 1 773 . 1 1 269 269 GLY N N 15 102.6 . . 1 . . . . 269 GLY N . 15170 1 774 . 1 1 270 270 LYS H H 1 7.676 . . 1 . . . . 270 LYS H . 15170 1 775 . 1 1 270 270 LYS CA C 13 53.81 . . 1 . . . . 270 LYS CA . 15170 1 776 . 1 1 270 270 LYS CB C 13 33.89 . . 1 . . . . 270 LYS CB . 15170 1 777 . 1 1 270 270 LYS N N 15 121.68 . . 1 . . . . 270 LYS N . 15170 1 778 . 1 1 271 271 THR H H 1 8.788 . . 1 . . . . 271 THR H . 15170 1 779 . 1 1 271 271 THR CA C 13 58.21 . . 1 . . . . 271 THR CA . 15170 1 780 . 1 1 271 271 THR CB C 13 69.42 . . 1 . . . . 271 THR CB . 15170 1 781 . 1 1 271 271 THR N N 15 111.75 . . 1 . . . . 271 THR N . 15170 1 782 . 1 1 272 272 ARG H H 1 8.777 . . 1 . . . . 272 ARG H . 15170 1 783 . 1 1 272 272 ARG CA C 13 53.65 . . 1 . . . . 272 ARG CA . 15170 1 784 . 1 1 272 272 ARG CB C 13 34.59 . . 1 . . . . 272 ARG CB . 15170 1 785 . 1 1 272 272 ARG N N 15 119.35 . . 1 . . . . 272 ARG N . 15170 1 786 . 1 1 273 273 LYS H H 1 7.358 . . 1 . . . . 273 LYS H . 15170 1 787 . 1 1 273 273 LYS CB C 13 33.47 . . 1 . . . . 273 LYS CB . 15170 1 788 . 1 1 273 273 LYS N N 15 117.85 . . 1 . . . . 273 LYS N . 15170 1 789 . 1 1 278 278 GLU CA C 13 58.54 . . 1 . . . . 278 GLU CA . 15170 1 790 . 1 1 278 278 GLU CB C 13 25.16 . . 1 . . . . 278 GLU CB . 15170 1 791 . 1 1 279 279 CYS H H 1 7.949 . . 1 . . . . 279 CYS H . 15170 1 792 . 1 1 279 279 CYS CA C 13 62.63 . . 1 . . . . 279 CYS CA . 15170 1 793 . 1 1 279 279 CYS N N 15 117.03 . . 1 . . . . 279 CYS N . 15170 1 794 . 1 1 280 280 ALA H H 1 7.328 . . 1 . . . . 280 ALA H . 15170 1 795 . 1 1 280 280 ALA CA C 13 54.27 . . 1 . . . . 280 ALA CA . 15170 1 796 . 1 1 280 280 ALA CB C 13 16.63 . . 1 . . . . 280 ALA CB . 15170 1 797 . 1 1 280 280 ALA N N 15 121.04 . . 1 . . . . 280 ALA N . 15170 1 798 . 1 1 281 281 ARG H H 1 7.764 . . 1 . . . . 281 ARG H . 15170 1 799 . 1 1 281 281 ARG CA C 13 59.82 . . 1 . . . . 281 ARG CA . 15170 1 800 . 1 1 281 281 ARG N N 15 119.52 . . 1 . . . . 281 ARG N . 15170 1 801 . 1 1 282 282 VAL H H 1 8.237 . . 1 . . . . 282 VAL H . 15170 1 802 . 1 1 282 282 VAL CA C 13 63.98 . . 1 . . . . 282 VAL CA . 15170 1 803 . 1 1 282 282 VAL CB C 13 30.58 . . 1 . . . . 282 VAL CB . 15170 1 804 . 1 1 282 282 VAL N N 15 120.29 . . 1 . . . . 282 VAL N . 15170 1 805 . 1 1 283 283 MET H H 1 6.976 . . 1 . . . . 283 MET H . 15170 1 806 . 1 1 283 283 MET CA C 13 52.88 . . 1 . . . . 283 MET CA . 15170 1 807 . 1 1 283 283 MET CB C 13 30.80 . . 1 . . . . 283 MET CB . 15170 1 808 . 1 1 283 283 MET N N 15 114.66 . . 1 . . . . 283 MET N . 15170 1 809 . 1 1 284 284 GLY H H 1 7.941 . . 1 . . . . 284 GLY H . 15170 1 810 . 1 1 284 284 GLY CA C 13 45.18 . . 1 . . . . 284 GLY CA . 15170 1 811 . 1 1 284 284 GLY N N 15 106.86 . . 1 . . . . 284 GLY N . 15170 1 812 . 1 1 285 285 TYR H H 1 8.943 . . 1 . . . . 285 TYR H . 15170 1 813 . 1 1 285 285 TYR CA C 13 57.39 . . 1 . . . . 285 TYR CA . 15170 1 814 . 1 1 285 285 TYR CB C 13 36.19 . . 1 . . . . 285 TYR CB . 15170 1 815 . 1 1 285 285 TYR N N 15 123.65 . . 1 . . . . 285 TYR N . 15170 1 816 . 1 1 286 286 PRO CA C 13 61.56 . . 1 . . . . 286 PRO CA . 15170 1 817 . 1 1 286 286 PRO CB C 13 31.69 . . 1 . . . . 286 PRO CB . 15170 1 818 . 1 1 287 287 ASP H H 1 8.908 . . 1 . . . . 287 ASP H . 15170 1 819 . 1 1 287 287 ASP CA C 13 55.74 . . 1 . . . . 287 ASP CA . 15170 1 820 . 1 1 287 287 ASP CB C 13 38.49 . . 1 . . . . 287 ASP CB . 15170 1 821 . 1 1 287 287 ASP N N 15 121.23 . . 1 . . . . 287 ASP N . 15170 1 822 . 1 1 288 288 SER H H 1 7.407 . . 1 . . . . 288 SER H . 15170 1 823 . 1 1 288 288 SER CA C 13 57.90 . . 1 . . . . 288 SER CA . 15170 1 824 . 1 1 288 288 SER CB C 13 62.25 . . 1 . . . . 288 SER CB . 15170 1 825 . 1 1 288 288 SER N N 15 110.50 . . 1 . . . . 288 SER N . 15170 1 826 . 1 1 289 289 TYR H H 1 8.001 . . 1 . . . . 289 TYR H . 15170 1 827 . 1 1 289 289 TYR CA C 13 58.24 . . 1 . . . . 289 TYR CA . 15170 1 828 . 1 1 289 289 TYR CB C 13 38.95 . . 1 . . . . 289 TYR CB . 15170 1 829 . 1 1 289 289 TYR N N 15 127.43 . . 1 . . . . 289 TYR N . 15170 1 830 . 1 1 290 290 LYS H H 1 9.366 . . 1 . . . . 290 LYS H . 15170 1 831 . 1 1 290 290 LYS CA C 13 56.05 . . 1 . . . . 290 LYS CA . 15170 1 832 . 1 1 290 290 LYS CB C 13 31.86 . . 1 . . . . 290 LYS CB . 15170 1 833 . 1 1 290 290 LYS N N 15 134.15 . . 1 . . . . 290 LYS N . 15170 1 834 . 1 1 291 291 VAL H H 1 7.424 . . 1 . . . . 291 VAL H . 15170 1 835 . 1 1 291 291 VAL CA C 13 59.61 . . 1 . . . . 291 VAL CA . 15170 1 836 . 1 1 291 291 VAL CB C 13 32.15 . . 1 . . . . 291 VAL CB . 15170 1 837 . 1 1 291 291 VAL N N 15 115.22 . . 1 . . . . 291 VAL N . 15170 1 838 . 1 1 292 292 HIS H H 1 8.402 . . 1 . . . . 292 HIS H . 15170 1 839 . 1 1 292 292 HIS CA C 13 57.99 . . 1 . . . . 292 HIS CA . 15170 1 840 . 1 1 292 292 HIS CB C 13 30.52 . . 1 . . . . 292 HIS CB . 15170 1 841 . 1 1 292 292 HIS N N 15 124.35 . . 1 . . . . 292 HIS N . 15170 1 842 . 1 1 293 293 PRO CA C 13 63.74 . . 1 . . . . 293 PRO CA . 15170 1 843 . 1 1 293 293 PRO CB C 13 31.27 . . 1 . . . . 293 PRO CB . 15170 1 844 . 1 1 294 294 SER H H 1 10.661 . . 1 . . . . 294 SER H . 15170 1 845 . 1 1 294 294 SER CA C 13 56.00 . . 1 . . . . 294 SER CA . 15170 1 846 . 1 1 294 294 SER CB C 13 61.10 . . 1 . . . . 294 SER CB . 15170 1 847 . 1 1 294 294 SER N N 15 119.71 . . 1 . . . . 294 SER N . 15170 1 848 . 1 1 295 295 THR H H 1 8.632 . . 1 . . . . 295 THR H . 15170 1 849 . 1 1 295 295 THR CA C 13 65.95 . . 1 . . . . 295 THR CA . 15170 1 850 . 1 1 295 295 THR CB C 13 67.71 . . 1 . . . . 295 THR CB . 15170 1 851 . 1 1 295 295 THR N N 15 127.67 . . 1 . . . . 295 THR N . 15170 1 852 . 1 1 296 296 SER H H 1 8.132 . . 1 . . . . 296 SER H . 15170 1 853 . 1 1 296 296 SER CA C 13 61.06 . . 1 . . . . 296 SER CA . 15170 1 854 . 1 1 296 296 SER CB C 13 61.67 . . 1 . . . . 296 SER CB . 15170 1 855 . 1 1 296 296 SER N N 15 114.01 . . 1 . . . . 296 SER N . 15170 1 856 . 1 1 297 297 GLN H H 1 7.251 . . 1 . . . . 297 GLN H . 15170 1 857 . 1 1 297 297 GLN CA C 13 56.78 . . 1 . . . . 297 GLN CA . 15170 1 858 . 1 1 297 297 GLN CB C 13 26.03 . . 1 . . . . 297 GLN CB . 15170 1 859 . 1 1 297 297 GLN N N 15 121.63 . . 1 . . . . 297 GLN N . 15170 1 860 . 1 1 298 298 ALA H H 1 8.537 . . 1 . . . . 298 ALA H . 15170 1 861 . 1 1 298 298 ALA CA C 13 54.95 . . 1 . . . . 298 ALA CA . 15170 1 862 . 1 1 298 298 ALA CB C 13 16.90 . . 1 . . . . 298 ALA CB . 15170 1 863 . 1 1 298 298 ALA N N 15 122.69 . . 1 . . . . 298 ALA N . 15170 1 864 . 1 1 299 299 TYR H H 1 8.209 . . 1 . . . . 299 TYR H . 15170 1 865 . 1 1 299 299 TYR CA C 13 59.28 . . 1 . . . . 299 TYR CA . 15170 1 866 . 1 1 299 299 TYR CB C 13 37.00 . . 1 . . . . 299 TYR CB . 15170 1 867 . 1 1 299 299 TYR N N 15 115.03 . . 1 . . . . 299 TYR N . 15170 1 868 . 1 1 300 300 LYS H H 1 7.160 . . 1 . . . . 300 LYS H . 15170 1 869 . 1 1 300 300 LYS CA C 13 59.34 . . 1 . . . . 300 LYS CA . 15170 1 870 . 1 1 300 300 LYS CB C 13 31.65 . . 1 . . . . 300 LYS CB . 15170 1 871 . 1 1 300 300 LYS N N 15 119.77 . . 1 . . . . 300 LYS N . 15170 1 872 . 1 1 301 301 GLN H H 1 8.363 . . 1 . . . . 301 GLN H . 15170 1 873 . 1 1 301 301 GLN CA C 13 57.98 . . 1 . . . . 301 GLN CA . 15170 1 874 . 1 1 301 301 GLN CB C 13 26.24 . . 1 . . . . 301 GLN CB . 15170 1 875 . 1 1 301 301 GLN N N 15 117.03 . . 1 . . . . 301 GLN N . 15170 1 876 . 1 1 302 302 PHE H H 1 8.714 . . 1 . . . . 302 PHE H . 15170 1 877 . 1 1 302 302 PHE CA C 13 63.33 . . 1 . . . . 302 PHE CA . 15170 1 878 . 1 1 302 302 PHE CB C 13 37.24 . . 1 . . . . 302 PHE CB . 15170 1 879 . 1 1 302 302 PHE N N 15 116.92 . . 1 . . . . 302 PHE N . 15170 1 880 . 1 1 303 303 GLY H H 1 7.936 . . 1 . . . . 303 GLY H . 15170 1 881 . 1 1 303 303 GLY CA C 13 46.53 . . 1 . . . . 303 GLY CA . 15170 1 882 . 1 1 303 303 GLY N N 15 104.80 . . 1 . . . . 303 GLY N . 15170 1 883 . 1 1 304 304 ASN H H 1 7.080 . . 1 . . . . 304 ASN H . 15170 1 884 . 1 1 304 304 ASN CA C 13 51.47 . . 1 . . . . 304 ASN CA . 15170 1 885 . 1 1 304 304 ASN CB C 13 40.08 . . 1 . . . . 304 ASN CB . 15170 1 886 . 1 1 304 304 ASN N N 15 117.68 . . 1 . . . . 304 ASN N . 15170 1 887 . 1 1 305 305 SER H H 1 6.973 . . 1 . . . . 305 SER H . 15170 1 888 . 1 1 305 305 SER CA C 13 55.04 . . 1 . . . . 305 SER CA . 15170 1 889 . 1 1 305 305 SER CB C 13 63.90 . . 1 . . . . 305 SER CB . 15170 1 890 . 1 1 305 305 SER N N 15 112.38 . . 1 . . . . 305 SER N . 15170 1 891 . 1 1 306 306 VAL CA C 13 57.95 . . 1 . . . . 306 VAL CA . 15170 1 892 . 1 1 306 306 VAL CB C 13 33.19 . . 1 . . . . 306 VAL CB . 15170 1 893 . 1 1 307 307 VAL H H 1 7.803 . . 1 . . . . 307 VAL H . 15170 1 894 . 1 1 307 307 VAL CA C 13 59.58 . . 1 . . . . 307 VAL CA . 15170 1 895 . 1 1 307 307 VAL CB C 13 29.97 . . 1 . . . . 307 VAL CB . 15170 1 896 . 1 1 307 307 VAL N N 15 117.59 . . 1 . . . . 307 VAL N . 15170 1 897 . 1 1 308 308 ILE H H 1 8.191 . . 1 . . . . 308 ILE H . 15170 1 898 . 1 1 308 308 ILE CA C 13 63.52 . . 1 . . . . 308 ILE CA . 15170 1 899 . 1 1 308 308 ILE CB C 13 35.06 . . 1 . . . . 308 ILE CB . 15170 1 900 . 1 1 308 308 ILE N N 15 127.15 . . 1 . . . . 308 ILE N . 15170 1 901 . 1 1 309 309 ASN H H 1 8.053 . . 1 . . . . 309 ASN H . 15170 1 902 . 1 1 309 309 ASN CA C 13 56.81 . . 1 . . . . 309 ASN CA . 15170 1 903 . 1 1 309 309 ASN CB C 13 36.21 . . 1 . . . . 309 ASN CB . 15170 1 904 . 1 1 309 309 ASN N N 15 111.95 . . 1 . . . . 309 ASN N . 15170 1 905 . 1 1 310 310 VAL H H 1 6.395 . . 1 . . . . 310 VAL H . 15170 1 906 . 1 1 310 310 VAL CA C 13 66.23 . . 1 . . . . 310 VAL CA . 15170 1 907 . 1 1 310 310 VAL CB C 13 31.22 . . 1 . . . . 310 VAL CB . 15170 1 908 . 1 1 310 310 VAL N N 15 112.71 . . 1 . . . . 310 VAL N . 15170 1 909 . 1 1 311 311 LEU H H 1 6.781 . . 1 . . . . 311 LEU H . 15170 1 910 . 1 1 311 311 LEU CA C 13 57.62 . . 1 . . . . 311 LEU CA . 15170 1 911 . 1 1 311 311 LEU CB C 13 41.09 . . 1 . . . . 311 LEU CB . 15170 1 912 . 1 1 311 311 LEU N N 15 115.00 . . 1 . . . . 311 LEU N . 15170 1 913 . 1 1 312 312 GLN H H 1 8.203 . . 1 . . . . 312 GLN H . 15170 1 914 . 1 1 312 312 GLN CA C 13 60.39 . . 1 . . . . 312 GLN CA . 15170 1 915 . 1 1 312 312 GLN CB C 13 30.57 . . 1 . . . . 312 GLN CB . 15170 1 916 . 1 1 312 312 GLN N N 15 117.15 . . 1 . . . . 312 GLN N . 15170 1 917 . 1 1 313 313 TYR H H 1 7.559 . . 1 . . . . 313 TYR H . 15170 1 918 . 1 1 313 313 TYR CA C 13 61.79 . . 1 . . . . 313 TYR CA . 15170 1 919 . 1 1 313 313 TYR CB C 13 36.92 . . 1 . . . . 313 TYR CB . 15170 1 920 . 1 1 313 313 TYR N N 15 116.22 . . 1 . . . . 313 TYR N . 15170 1 921 . 1 1 314 314 ILE H H 1 7.837 . . 1 . . . . 314 ILE H . 15170 1 922 . 1 1 314 314 ILE CA C 13 66.13 . . 1 . . . . 314 ILE CA . 15170 1 923 . 1 1 314 314 ILE CB C 13 36.87 . . 1 . . . . 314 ILE CB . 15170 1 924 . 1 1 314 314 ILE N N 15 118.19 . . 1 . . . . 314 ILE N . 15170 1 925 . 1 1 315 315 ALA H H 1 9.032 . . 1 . . . . 315 ALA H . 15170 1 926 . 1 1 315 315 ALA CA C 13 54.91 . . 1 . . . . 315 ALA CA . 15170 1 927 . 1 1 315 315 ALA CB C 13 17.25 . . 1 . . . . 315 ALA CB . 15170 1 928 . 1 1 315 315 ALA N N 15 122.86 . . 1 . . . . 315 ALA N . 15170 1 929 . 1 1 316 316 TYR H H 1 8.469 . . 1 . . . . 316 TYR H . 15170 1 930 . 1 1 316 316 TYR CA C 13 62.29 . . 1 . . . . 316 TYR CA . 15170 1 931 . 1 1 316 316 TYR CB C 13 37.46 . . 1 . . . . 316 TYR CB . 15170 1 932 . 1 1 316 316 TYR N N 15 119.32 . . 1 . . . . 316 TYR N . 15170 1 933 . 1 1 317 317 ASN H H 1 7.448 . . 1 . . . . 317 ASN H . 15170 1 934 . 1 1 317 317 ASN CA C 13 55.39 . . 1 . . . . 317 ASN CA . 15170 1 935 . 1 1 317 317 ASN CB C 13 36.13 . . 1 . . . . 317 ASN CB . 15170 1 936 . 1 1 317 317 ASN N N 15 121.95 . . 1 . . . . 317 ASN N . 15170 1 937 . 1 1 318 318 ILE H H 1 8.873 . . 1 . . . . 318 ILE H . 15170 1 938 . 1 1 318 318 ILE CA C 13 66.37 . . 1 . . . . 318 ILE CA . 15170 1 939 . 1 1 318 318 ILE CB C 13 36.82 . . 1 . . . . 318 ILE CB . 15170 1 940 . 1 1 318 318 ILE N N 15 124.79 . . 1 . . . . 318 ILE N . 15170 1 941 . 1 1 319 319 GLY H H 1 8.118 . . 1 . . . . 319 GLY H . 15170 1 942 . 1 1 319 319 GLY CA C 13 47.92 . . 1 . . . . 319 GLY CA . 15170 1 943 . 1 1 319 319 GLY N N 15 106.64 . . 1 . . . . 319 GLY N . 15170 1 944 . 1 1 320 320 SER H H 1 8.326 . . 1 . . . . 320 SER H . 15170 1 945 . 1 1 320 320 SER CA C 13 60.79 . . 1 . . . . 320 SER CA . 15170 1 946 . 1 1 320 320 SER CB C 13 62.12 . . 1 . . . . 320 SER CB . 15170 1 947 . 1 1 320 320 SER N N 15 117.94 . . 1 . . . . 320 SER N . 15170 1 948 . 1 1 322 322 LEU H H 1 7.863 . . 1 . . . . 322 LEU H . 15170 1 949 . 1 1 322 322 LEU CA C 13 56.43 . . 1 . . . . 322 LEU CA . 15170 1 950 . 1 1 322 322 LEU CB C 13 41.15 . . 1 . . . . 322 LEU CB . 15170 1 951 . 1 1 322 322 LEU N N 15 120.16 . . 1 . . . . 322 LEU N . 15170 1 952 . 1 1 323 323 ASN H H 1 7.712 . . 1 . . . . 323 ASN H . 15170 1 953 . 1 1 323 323 ASN CA C 13 53.51 . . 1 . . . . 323 ASN CA . 15170 1 954 . 1 1 323 323 ASN CB C 13 38.12 . . 1 . . . . 323 ASN CB . 15170 1 955 . 1 1 323 323 ASN N N 15 116.03 . . 1 . . . . 323 ASN N . 15170 1 956 . 1 1 324 324 LEU H H 1 7.811 . . 1 . . . . 324 LEU H . 15170 1 957 . 1 1 324 324 LEU CA C 13 56.00 . . 1 . . . . 324 LEU CA . 15170 1 958 . 1 1 324 324 LEU CB C 13 41.01 . . 1 . . . . 324 LEU CB . 15170 1 959 . 1 1 324 324 LEU N N 15 121.95 . . 1 . . . . 324 LEU N . 15170 1 960 . 1 1 325 325 GLU H H 1 8.035 . . 1 . . . . 325 GLU H . 15170 1 961 . 1 1 325 325 GLU CA C 13 56.50 . . 1 . . . . 325 GLU CA . 15170 1 962 . 1 1 325 325 GLU CB C 13 28.96 . . 1 . . . . 325 GLU CB . 15170 1 963 . 1 1 325 325 GLU N N 15 119.71 . . 1 . . . . 325 GLU N . 15170 1 964 . 1 1 326 326 HIS H H 1 7.988 . . 1 . . . . 326 HIS H . 15170 1 965 . 1 1 326 326 HIS CA C 13 55.54 . . 1 . . . . 326 HIS CA . 15170 1 966 . 1 1 326 326 HIS CB C 13 29.02 . . 1 . . . . 326 HIS CB . 15170 1 967 . 1 1 326 326 HIS N N 15 119.20 . . 1 . . . . 326 HIS N . 15170 1 stop_ save_