data_5340 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5340 _Entry.Title ; Solution Structure for BID, and Intracellular Amplifier of Apoptotic Signaling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-04-08 _Entry.Accession_date 2002-04-08 _Entry.Last_release_date 2002-06-07 _Entry.Original_release_date 2002-06-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Chou . J . 5340 2 Honglin Li . . . 5340 3 Guy Salvesen . S . 5340 4 Junying Yuan . . . 5340 5 Gerhard Wagner . . . 5340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 5340 '15N chemical shifts' 178 5340 '1H chemical shifts' 178 5340 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-06-07 2002-04-08 original author . 5340 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BID 'BMRB Entry Tracking System' 5340 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5340 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure for BID, and Intracellular Amplifier of Apoptotic Signaling' _Citation.Status submitted _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 James Chou . J . 5340 1 2 Honglin Li . . . 5340 1 3 Guy Salvesen . S . 5340 1 4 Junying Yuan . . . 5340 1 5 Gerhard Wagner . . . 5340 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5340 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10089877 _Citation.Full_citation ; Chou JJ, Li H, Salvesen GS, Yuan J, Wagner G. Solution structure of BID, an intracellular amplifier of apoptotic signaling. Cell. 1999 Mar 5;96(5):615-24. ; _Citation.Title 'Solution structure of BID, an intracellular amplifier of apoptotic signaling.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 96 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0092-8674 _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 615 _Citation.Page_last 624 _Citation.Year 1999 _Citation.Details ; We report the solution structure of BID, an intracellular cross-talk agent that can amplify FAS/TNF apoptotic signal through the mitochondria death pathway after Caspase 8 cleavage. BID contains eight alpha helices where two central hydrophobic helices are surrounded by six amphipathic ones. The fold resembles poreforming bacterial toxins and shows similarity to BCL-XL although sequence homology to BCL-XL is limited to the 16-residue BH3 domain. Furthermore, we modeled a complex of BCL-XL and BID by aligning the BID and BAK BH3 motifs in the known BCL-XL-BAK BH3 complex. Additionally, we show that the overall structure of BID is preserved after cleavage by Caspase 8. We propose that BID has both BH3 domain-dependent and -independent modes of action in inducing mitochondrial damage. ; 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 'J. J.' Chou J. J. . 5340 2 2 H. Li H. . . 5340 2 3 'G. S.' Salvesen G. S. . 5340 2 4 J. Yuan J. . . 5340 2 5 G. Wagner G. . . 5340 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5340 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9727492 _Citation.Full_citation ; Li H, Zhu H, Xu CJ, Yuan J. Cleavage of BID by caspase 8 mediates the mitochondrial damage in the Fas pathway of apoptosis. Cell. 1998 Aug 21;94(4):491-501. ; _Citation.Title 'Cleavage of BID by caspase 8 mediates the mitochondrial damage in the Fas pathway of apoptosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 94 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0092-8674 _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 491 _Citation.Page_last 501 _Citation.Year 1998 _Citation.Details ; We report here that BID, a BH3 domain-containing proapoptotic Bcl2 family member, is a specific proximal substrate of Casp8 in the Fas apoptotic signaling pathway. While full-length BID is localized in cytosol, truncated BID (tBID) translocates to mitochondria and thus transduces apoptotic signals from cytoplasmic membrane to mitochondria. tBID induces first the clustering of mitochondria around the nuclei and release of cytochrome c independent of caspase activity, and then the loss of mitochondrial membrane potential, cell shrinkage, and nuclear condensation in a caspase-dependent fashion. Coexpression of BclxL inhibits all the apoptotic changes induced by tBID. Our results indicate that BID is a mediator of mitochondrial damage induced by Casp8. ; 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 H. Li H. . . 5340 3 2 H. Zhu H. . . 5340 3 3 'C. J.' Xu C. J. . 5340 3 4 J. Yuan J. . . 5340 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_bid _Assembly.Sf_category assembly _Assembly.Sf_framecode system_bid _Assembly.Entry_ID 5340 _Assembly.ID 1 _Assembly.Name 'proapoptotic bid' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5340 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'bid monomer' 1 $bid . . . native . . . . . 5340 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2BID . . . . . . 5340 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID bid abbreviation 5340 1 'proapoptotic bid' system 5340 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'an intracellular amplifier of apoptotic signaling' 5340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bid _Entity.Sf_category entity _Entity.Sf_framecode bid _Entity.Entry_ID 5340 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bid _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 ; GSMDCEVNNGSSLRDECITN LLVFGFLQSCSDNSFRRELD ALGHELPVLAPQWEGYDELQ TDGNRSSHSRLGRIEADSES QEDIIRNIARHLAQVGDSMD RSIPPGLVNGLALQLRNTSR SEEDRNRDLATALEQLLQAY PRDMEKEKTMLVLALLLAKK VASHTPSLLRDVFHTTVNFI NQNLRTYVRSLARNGMD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22139 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein was overexpressed as a GST-fusion protein. So there are additional two N-terminal residues GS. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19054 . entity . . . . . 68.53 135 100.00 100.00 4.28e-90 . . . . 5340 1 2 no PDB 2BID . "Human Pro-Apoptotic Protein Bid" . . . . . 100.00 197 100.00 100.00 8.23e-141 . . . . 5340 1 3 no PDB 2M5I . "Nmr Structures Of Human Apoptotic Protein Tbid In Lppg Micelle" . . . . . 68.53 135 100.00 100.00 4.28e-90 . . . . 5340 1 4 no DBJ BAF79673 . "desmocollin type 4 [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 5 no DBJ BAG10922 . "BH3-interacting domain death agonist [synthetic construct]" . . . . . 99.49 241 99.49 100.00 1.13e-138 . . . . 5340 1 6 no DBJ BAG36471 . "unnamed protein product [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 7 no DBJ BAG52933 . "unnamed protein product [Homo sapiens]" . . . . . 99.49 241 98.98 100.00 6.61e-138 . . . . 5340 1 8 no EMBL CAG28531 . "BID [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 9 no EMBL CAG30275 . "BID [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 10 no EMBL CAH92211 . "hypothetical protein [Pongo abelii]" . . . . . 50.25 99 97.98 98.99 5.30e-61 . . . . 5340 1 11 no EMBL CAK54378 . "BID [synthetic construct]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 12 no EMBL CAK54677 . "BID [synthetic construct]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 13 no GB AAC34365 . "BH3 interacting domain death agonist [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 14 no GB AAH09197 . "BID protein [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 15 no GB AAH22072 . "BID protein, partial [Homo sapiens]" . . . . . 99.49 252 99.49 100.00 5.05e-138 . . . . 5340 1 16 no GB AAH33634 . "BH3 interacting domain death agonist [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 17 no GB AAH36364 . "BH3 interacting domain death agonist [Homo sapiens]" . . . . . 99.49 241 98.98 99.49 1.33e-137 . . . . 5340 1 18 no REF NP_001126293 . "BH3-interacting domain death agonist [Pongo abelii]" . . . . . 50.25 99 97.98 98.99 5.30e-61 . . . . 5340 1 19 no REF NP_001187 . "BH3-interacting domain death agonist isoform 2 [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 20 no REF NP_001231496 . "BH3-interacting domain death agonist isoform 2 [Homo sapiens]" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 21 no REF NP_001231498 . "BH3-interacting domain death agonist isoform 3 [Homo sapiens]" . . . . . 50.25 99 100.00 100.00 1.41e-62 . . . . 5340 1 22 no REF NP_001231499 . "BH3-interacting domain death agonist isoform 3 [Homo sapiens]" . . . . . 50.25 99 100.00 100.00 1.41e-62 . . . . 5340 1 23 no SP P55957 . "RecName: Full=BH3-interacting domain death agonist; AltName: Full=p22 BID; Short=BID; Contains: RecName: Full=BH3-interacting d" . . . . . 98.98 195 100.00 100.00 3.30e-139 . . . . 5340 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID bid abbreviation 5340 1 bid common 5340 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5340 1 2 . SER . 5340 1 3 . MET . 5340 1 4 . ASP . 5340 1 5 . CYS . 5340 1 6 . GLU . 5340 1 7 . VAL . 5340 1 8 . ASN . 5340 1 9 . ASN . 5340 1 10 . GLY . 5340 1 11 . SER . 5340 1 12 . SER . 5340 1 13 . LEU . 5340 1 14 . ARG . 5340 1 15 . ASP . 5340 1 16 . GLU . 5340 1 17 . CYS . 5340 1 18 . ILE . 5340 1 19 . THR . 5340 1 20 . ASN . 5340 1 21 . LEU . 5340 1 22 . LEU . 5340 1 23 . VAL . 5340 1 24 . PHE . 5340 1 25 . GLY . 5340 1 26 . PHE . 5340 1 27 . LEU . 5340 1 28 . GLN . 5340 1 29 . SER . 5340 1 30 . CYS . 5340 1 31 . SER . 5340 1 32 . ASP . 5340 1 33 . ASN . 5340 1 34 . SER . 5340 1 35 . PHE . 5340 1 36 . ARG . 5340 1 37 . ARG . 5340 1 38 . GLU . 5340 1 39 . LEU . 5340 1 40 . ASP . 5340 1 41 . ALA . 5340 1 42 . LEU . 5340 1 43 . GLY . 5340 1 44 . HIS . 5340 1 45 . GLU . 5340 1 46 . LEU . 5340 1 47 . PRO . 5340 1 48 . VAL . 5340 1 49 . LEU . 5340 1 50 . ALA . 5340 1 51 . PRO . 5340 1 52 . GLN . 5340 1 53 . TRP . 5340 1 54 . GLU . 5340 1 55 . GLY . 5340 1 56 . TYR . 5340 1 57 . ASP . 5340 1 58 . GLU . 5340 1 59 . LEU . 5340 1 60 . GLN . 5340 1 61 . THR . 5340 1 62 . ASP . 5340 1 63 . GLY . 5340 1 64 . ASN . 5340 1 65 . ARG . 5340 1 66 . SER . 5340 1 67 . SER . 5340 1 68 . HIS . 5340 1 69 . SER . 5340 1 70 . ARG . 5340 1 71 . LEU . 5340 1 72 . GLY . 5340 1 73 . ARG . 5340 1 74 . ILE . 5340 1 75 . GLU . 5340 1 76 . ALA . 5340 1 77 . ASP . 5340 1 78 . SER . 5340 1 79 . GLU . 5340 1 80 . SER . 5340 1 81 . GLN . 5340 1 82 . GLU . 5340 1 83 . ASP . 5340 1 84 . ILE . 5340 1 85 . ILE . 5340 1 86 . ARG . 5340 1 87 . ASN . 5340 1 88 . ILE . 5340 1 89 . ALA . 5340 1 90 . ARG . 5340 1 91 . HIS . 5340 1 92 . LEU . 5340 1 93 . ALA . 5340 1 94 . GLN . 5340 1 95 . VAL . 5340 1 96 . GLY . 5340 1 97 . ASP . 5340 1 98 . SER . 5340 1 99 . MET . 5340 1 100 . ASP . 5340 1 101 . ARG . 5340 1 102 . SER . 5340 1 103 . ILE . 5340 1 104 . PRO . 5340 1 105 . PRO . 5340 1 106 . GLY . 5340 1 107 . LEU . 5340 1 108 . VAL . 5340 1 109 . ASN . 5340 1 110 . GLY . 5340 1 111 . LEU . 5340 1 112 . ALA . 5340 1 113 . LEU . 5340 1 114 . GLN . 5340 1 115 . LEU . 5340 1 116 . ARG . 5340 1 117 . ASN . 5340 1 118 . THR . 5340 1 119 . SER . 5340 1 120 . ARG . 5340 1 121 . SER . 5340 1 122 . GLU . 5340 1 123 . GLU . 5340 1 124 . ASP . 5340 1 125 . ARG . 5340 1 126 . ASN . 5340 1 127 . ARG . 5340 1 128 . ASP . 5340 1 129 . LEU . 5340 1 130 . ALA . 5340 1 131 . THR . 5340 1 132 . ALA . 5340 1 133 . LEU . 5340 1 134 . GLU . 5340 1 135 . GLN . 5340 1 136 . LEU . 5340 1 137 . LEU . 5340 1 138 . GLN . 5340 1 139 . ALA . 5340 1 140 . TYR . 5340 1 141 . PRO . 5340 1 142 . ARG . 5340 1 143 . ASP . 5340 1 144 . MET . 5340 1 145 . GLU . 5340 1 146 . LYS . 5340 1 147 . GLU . 5340 1 148 . LYS . 5340 1 149 . THR . 5340 1 150 . MET . 5340 1 151 . LEU . 5340 1 152 . VAL . 5340 1 153 . LEU . 5340 1 154 . ALA . 5340 1 155 . LEU . 5340 1 156 . LEU . 5340 1 157 . LEU . 5340 1 158 . ALA . 5340 1 159 . LYS . 5340 1 160 . LYS . 5340 1 161 . VAL . 5340 1 162 . ALA . 5340 1 163 . SER . 5340 1 164 . HIS . 5340 1 165 . THR . 5340 1 166 . PRO . 5340 1 167 . SER . 5340 1 168 . LEU . 5340 1 169 . LEU . 5340 1 170 . ARG . 5340 1 171 . ASP . 5340 1 172 . VAL . 5340 1 173 . PHE . 5340 1 174 . HIS . 5340 1 175 . THR . 5340 1 176 . THR . 5340 1 177 . VAL . 5340 1 178 . ASN . 5340 1 179 . PHE . 5340 1 180 . ILE . 5340 1 181 . ASN . 5340 1 182 . GLN . 5340 1 183 . ASN . 5340 1 184 . LEU . 5340 1 185 . ARG . 5340 1 186 . THR . 5340 1 187 . TYR . 5340 1 188 . VAL . 5340 1 189 . ARG . 5340 1 190 . SER . 5340 1 191 . LEU . 5340 1 192 . ALA . 5340 1 193 . ARG . 5340 1 194 . ASN . 5340 1 195 . GLY . 5340 1 196 . MET . 5340 1 197 . ASP . 5340 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5340 1 . SER 2 2 5340 1 . MET 3 3 5340 1 . ASP 4 4 5340 1 . CYS 5 5 5340 1 . GLU 6 6 5340 1 . VAL 7 7 5340 1 . ASN 8 8 5340 1 . ASN 9 9 5340 1 . GLY 10 10 5340 1 . SER 11 11 5340 1 . SER 12 12 5340 1 . LEU 13 13 5340 1 . ARG 14 14 5340 1 . ASP 15 15 5340 1 . GLU 16 16 5340 1 . CYS 17 17 5340 1 . ILE 18 18 5340 1 . THR 19 19 5340 1 . ASN 20 20 5340 1 . LEU 21 21 5340 1 . LEU 22 22 5340 1 . VAL 23 23 5340 1 . PHE 24 24 5340 1 . GLY 25 25 5340 1 . PHE 26 26 5340 1 . LEU 27 27 5340 1 . GLN 28 28 5340 1 . SER 29 29 5340 1 . CYS 30 30 5340 1 . SER 31 31 5340 1 . ASP 32 32 5340 1 . ASN 33 33 5340 1 . SER 34 34 5340 1 . PHE 35 35 5340 1 . ARG 36 36 5340 1 . ARG 37 37 5340 1 . GLU 38 38 5340 1 . LEU 39 39 5340 1 . ASP 40 40 5340 1 . ALA 41 41 5340 1 . LEU 42 42 5340 1 . GLY 43 43 5340 1 . HIS 44 44 5340 1 . GLU 45 45 5340 1 . LEU 46 46 5340 1 . PRO 47 47 5340 1 . VAL 48 48 5340 1 . LEU 49 49 5340 1 . ALA 50 50 5340 1 . PRO 51 51 5340 1 . GLN 52 52 5340 1 . TRP 53 53 5340 1 . GLU 54 54 5340 1 . GLY 55 55 5340 1 . TYR 56 56 5340 1 . ASP 57 57 5340 1 . GLU 58 58 5340 1 . LEU 59 59 5340 1 . GLN 60 60 5340 1 . THR 61 61 5340 1 . ASP 62 62 5340 1 . GLY 63 63 5340 1 . ASN 64 64 5340 1 . ARG 65 65 5340 1 . SER 66 66 5340 1 . SER 67 67 5340 1 . HIS 68 68 5340 1 . SER 69 69 5340 1 . ARG 70 70 5340 1 . LEU 71 71 5340 1 . GLY 72 72 5340 1 . ARG 73 73 5340 1 . ILE 74 74 5340 1 . GLU 75 75 5340 1 . ALA 76 76 5340 1 . ASP 77 77 5340 1 . SER 78 78 5340 1 . GLU 79 79 5340 1 . SER 80 80 5340 1 . GLN 81 81 5340 1 . GLU 82 82 5340 1 . ASP 83 83 5340 1 . ILE 84 84 5340 1 . ILE 85 85 5340 1 . ARG 86 86 5340 1 . ASN 87 87 5340 1 . ILE 88 88 5340 1 . ALA 89 89 5340 1 . ARG 90 90 5340 1 . HIS 91 91 5340 1 . LEU 92 92 5340 1 . ALA 93 93 5340 1 . GLN 94 94 5340 1 . VAL 95 95 5340 1 . GLY 96 96 5340 1 . ASP 97 97 5340 1 . SER 98 98 5340 1 . MET 99 99 5340 1 . ASP 100 100 5340 1 . ARG 101 101 5340 1 . SER 102 102 5340 1 . ILE 103 103 5340 1 . PRO 104 104 5340 1 . PRO 105 105 5340 1 . GLY 106 106 5340 1 . LEU 107 107 5340 1 . VAL 108 108 5340 1 . ASN 109 109 5340 1 . GLY 110 110 5340 1 . LEU 111 111 5340 1 . ALA 112 112 5340 1 . LEU 113 113 5340 1 . GLN 114 114 5340 1 . LEU 115 115 5340 1 . ARG 116 116 5340 1 . ASN 117 117 5340 1 . THR 118 118 5340 1 . SER 119 119 5340 1 . ARG 120 120 5340 1 . SER 121 121 5340 1 . GLU 122 122 5340 1 . GLU 123 123 5340 1 . ASP 124 124 5340 1 . ARG 125 125 5340 1 . ASN 126 126 5340 1 . ARG 127 127 5340 1 . ASP 128 128 5340 1 . LEU 129 129 5340 1 . ALA 130 130 5340 1 . THR 131 131 5340 1 . ALA 132 132 5340 1 . LEU 133 133 5340 1 . GLU 134 134 5340 1 . GLN 135 135 5340 1 . LEU 136 136 5340 1 . LEU 137 137 5340 1 . GLN 138 138 5340 1 . ALA 139 139 5340 1 . TYR 140 140 5340 1 . PRO 141 141 5340 1 . ARG 142 142 5340 1 . ASP 143 143 5340 1 . MET 144 144 5340 1 . GLU 145 145 5340 1 . LYS 146 146 5340 1 . GLU 147 147 5340 1 . LYS 148 148 5340 1 . THR 149 149 5340 1 . MET 150 150 5340 1 . LEU 151 151 5340 1 . VAL 152 152 5340 1 . LEU 153 153 5340 1 . ALA 154 154 5340 1 . LEU 155 155 5340 1 . LEU 156 156 5340 1 . LEU 157 157 5340 1 . ALA 158 158 5340 1 . LYS 159 159 5340 1 . LYS 160 160 5340 1 . VAL 161 161 5340 1 . ALA 162 162 5340 1 . SER 163 163 5340 1 . HIS 164 164 5340 1 . THR 165 165 5340 1 . PRO 166 166 5340 1 . SER 167 167 5340 1 . LEU 168 168 5340 1 . LEU 169 169 5340 1 . ARG 170 170 5340 1 . ASP 171 171 5340 1 . VAL 172 172 5340 1 . PHE 173 173 5340 1 . HIS 174 174 5340 1 . THR 175 175 5340 1 . THR 176 176 5340 1 . VAL 177 177 5340 1 . ASN 178 178 5340 1 . PHE 179 179 5340 1 . ILE 180 180 5340 1 . ASN 181 181 5340 1 . GLN 182 182 5340 1 . ASN 183 183 5340 1 . LEU 184 184 5340 1 . ARG 185 185 5340 1 . THR 186 186 5340 1 . TYR 187 187 5340 1 . VAL 188 188 5340 1 . ARG 189 189 5340 1 . SER 190 190 5340 1 . LEU 191 191 5340 1 . ALA 192 192 5340 1 . ARG 193 193 5340 1 . ASN 194 194 5340 1 . GLY 195 195 5340 1 . MET 196 196 5340 1 . ASP 197 197 5340 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5340 _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 $bid . 9606 organism . 'Homo sapien' Human . . Eukaryota Metazoa Homo sapien . . . . . . . . 52055 . . . cytoplasm . . . . . . . . 5340 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 5340 _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 $bid . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'GST-fusion, pGEX-2T vector' . . 5340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5340 _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 bid '[U-95% 13C; U-95% 15N; U-85% 2H]' . . 1 $bid . . 1.0 0.7 1.2 mM . . . . 5340 1 stop_ save_ ####################### # Sample conditions # ####################### save_Experimental_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Experimental_Conditions _Sample_condition_list.Entry_ID 5340 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.3 n/a 5340 1 temperature 298 2 K 5340 1 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 5340 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5340 _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 unknown unknown . 0 'spectrometer information not available' . . 5340 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 5340 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 3 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 5 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 6 HN(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 7 '13C HCCH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 8 '13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 9 '15N-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 10 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 11 '1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Experimental_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5340 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5340 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5340 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5340 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5340 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 5340 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experimental_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5340 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.58 . . . . . . . . . . . 5340 1 2 . 1 1 3 3 MET C C 13 175.85 . . . . . . . . . . . 5340 1 3 . 1 1 3 3 MET CA C 13 56.41 . . . . . . . . . . . 5340 1 4 . 1 1 3 3 MET CB C 13 32.73 . . . . . . . . . . . 5340 1 5 . 1 1 3 3 MET N N 15 121.13 . . . . . . . . . . . 5340 1 6 . 1 1 4 4 ASP H H 1 8.19 . . . . . . . . . . . 5340 1 7 . 1 1 4 4 ASP C C 13 175.88 . . . . . . . . . . . 5340 1 8 . 1 1 4 4 ASP CA C 13 55.45 . . . . . . . . . . . 5340 1 9 . 1 1 4 4 ASP CB C 13 41.66 . . . . . . . . . . . 5340 1 10 . 1 1 4 4 ASP N N 15 120.69 . . . . . . . . . . . 5340 1 11 . 1 1 9 9 ASN H H 1 8.32 . . . . . . . . . . . 5340 1 12 . 1 1 9 9 ASN C C 13 175.65 . . . . . . . . . . . 5340 1 13 . 1 1 9 9 ASN CA C 13 54.30 . . . . . . . . . . . 5340 1 14 . 1 1 9 9 ASN CB C 13 39.43 . . . . . . . . . . . 5340 1 15 . 1 1 9 9 ASN N N 15 118.74 . . . . . . . . . . . 5340 1 16 . 1 1 10 10 GLY H H 1 8.37 . . . . . . . . . . . 5340 1 17 . 1 1 10 10 GLY C C 13 174.22 . . . . . . . . . . . 5340 1 18 . 1 1 10 10 GLY CA C 13 46.45 . . . . . . . . . . . 5340 1 19 . 1 1 10 10 GLY N N 15 108.62 . . . . . . . . . . . 5340 1 20 . 1 1 11 11 SER H H 1 8.21 . . . . . . . . . . . 5340 1 21 . 1 1 11 11 SER C C 13 174.68 . . . . . . . . . . . 5340 1 22 . 1 1 11 11 SER CA C 13 59.54 . . . . . . . . . . . 5340 1 23 . 1 1 11 11 SER CB C 13 64.71 . . . . . . . . . . . 5340 1 24 . 1 1 11 11 SER N N 15 115.51 . . . . . . . . . . . 5340 1 25 . 1 1 12 12 SER H H 1 8.47 . . . . . . . . . . . 5340 1 26 . 1 1 12 12 SER C C 13 175.10 . . . . . . . . . . . 5340 1 27 . 1 1 12 12 SER CA C 13 59.69 . . . . . . . . . . . 5340 1 28 . 1 1 12 12 SER CB C 13 64.71 . . . . . . . . . . . 5340 1 29 . 1 1 12 12 SER N N 15 118.32 . . . . . . . . . . . 5340 1 30 . 1 1 13 13 LEU H H 1 8.23 . . . . . . . . . . . 5340 1 31 . 1 1 13 13 LEU C C 13 178.33 . . . . . . . . . . . 5340 1 32 . 1 1 13 13 LEU CA C 13 57.34 . . . . . . . . . . . 5340 1 33 . 1 1 13 13 LEU CB C 13 42.06 . . . . . . . . . . . 5340 1 34 . 1 1 13 13 LEU N N 15 123.39 . . . . . . . . . . . 5340 1 35 . 1 1 14 14 ARG H H 1 8.17 . . . . . . . . . . . 5340 1 36 . 1 1 14 14 ARG C C 13 178.34 . . . . . . . . . . . 5340 1 37 . 1 1 14 14 ARG CA C 13 59.21 . . . . . . . . . . . 5340 1 38 . 1 1 14 14 ARG CB C 13 42.14 . . . . . . . . . . . 5340 1 39 . 1 1 14 14 ARG N N 15 120.81 . . . . . . . . . . . 5340 1 40 . 1 1 15 15 ASP H H 1 8.17 . . . . . . . . . . . 5340 1 41 . 1 1 15 15 ASP C C 13 178.38 . . . . . . . . . . . 5340 1 42 . 1 1 15 15 ASP CA C 13 58.25 . . . . . . . . . . . 5340 1 43 . 1 1 15 15 ASP CB C 13 40.95 . . . . . . . . . . . 5340 1 44 . 1 1 15 15 ASP N N 15 119.49 . . . . . . . . . . . 5340 1 45 . 1 1 16 16 GLU H H 1 8.45 . . . . . . . . . . . 5340 1 46 . 1 1 16 16 GLU C C 13 178.57 . . . . . . . . . . . 5340 1 47 . 1 1 16 16 GLU CA C 13 60.20 . . . . . . . . . . . 5340 1 48 . 1 1 16 16 GLU CB C 13 29.62 . . . . . . . . . . . 5340 1 49 . 1 1 16 16 GLU N N 15 119.16 . . . . . . . . . . . 5340 1 50 . 1 1 17 17 CYS H H 1 8.03 . . . . . . . . . . . 5340 1 51 . 1 1 17 17 CYS C C 13 176.49 . . . . . . . . . . . 5340 1 52 . 1 1 17 17 CYS CA C 13 63.35 . . . . . . . . . . . 5340 1 53 . 1 1 17 17 CYS CB C 13 27.71 . . . . . . . . . . . 5340 1 54 . 1 1 17 17 CYS N N 15 119.24 . . . . . . . . . . . 5340 1 55 . 1 1 18 18 ILE H H 1 8.11 . . . . . . . . . . . 5340 1 56 . 1 1 18 18 ILE C C 13 177.14 . . . . . . . . . . . 5340 1 57 . 1 1 18 18 ILE CA C 13 65.88 . . . . . . . . . . . 5340 1 58 . 1 1 18 18 ILE CB C 13 37.44 . . . . . . . . . . . 5340 1 59 . 1 1 18 18 ILE N N 15 118.70 . . . . . . . . . . . 5340 1 60 . 1 1 19 19 THR H H 1 8.04 . . . . . . . . . . . 5340 1 61 . 1 1 19 19 THR N N 15 115.87 . . . . . . . . . . . 5340 1 62 . 1 1 21 21 LEU H H 1 8.01 . . . . . . . . . . . 5340 1 63 . 1 1 21 21 LEU C C 13 179.71 . . . . . . . . . . . 5340 1 64 . 1 1 21 21 LEU CA C 13 58.70 . . . . . . . . . . . 5340 1 65 . 1 1 21 21 LEU CB C 13 41.98 . . . . . . . . . . . 5340 1 66 . 1 1 21 21 LEU N N 15 117.67 . . . . . . . . . . . 5340 1 67 . 1 1 22 22 LEU H H 1 8.63 . . . . . . . . . . . 5340 1 68 . 1 1 22 22 LEU C C 13 177.51 . . . . . . . . . . . 5340 1 69 . 1 1 22 22 LEU CA C 13 59.23 . . . . . . . . . . . 5340 1 70 . 1 1 22 22 LEU CB C 13 42.54 . . . . . . . . . . . 5340 1 71 . 1 1 22 22 LEU N N 15 123.03 . . . . . . . . . . . 5340 1 72 . 1 1 23 23 VAL H H 1 8.27 . . . . . . . . . . . 5340 1 73 . 1 1 23 23 VAL C C 13 177.79 . . . . . . . . . . . 5340 1 74 . 1 1 23 23 VAL CA C 13 66.89 . . . . . . . . . . . 5340 1 75 . 1 1 23 23 VAL CB C 13 30.98 . . . . . . . . . . . 5340 1 76 . 1 1 23 23 VAL N N 15 117.23 . . . . . . . . . . . 5340 1 77 . 1 1 24 24 PHE H H 1 8.77 . . . . . . . . . . . 5340 1 78 . 1 1 24 24 PHE C C 13 176.88 . . . . . . . . . . . 5340 1 79 . 1 1 24 24 PHE CA C 13 63.71 . . . . . . . . . . . 5340 1 80 . 1 1 24 24 PHE CB C 13 41.11 . . . . . . . . . . . 5340 1 81 . 1 1 24 24 PHE N N 15 119.01 . . . . . . . . . . . 5340 1 82 . 1 1 25 25 GLY H H 1 8.94 . . . . . . . . . . . 5340 1 83 . 1 1 25 25 GLY C C 13 176.54 . . . . . . . . . . . 5340 1 84 . 1 1 25 25 GLY CA C 13 47.57 . . . . . . . . . . . 5340 1 85 . 1 1 25 25 GLY N N 15 105.02 . . . . . . . . . . . 5340 1 86 . 1 1 26 26 PHE H H 1 8.61 . . . . . . . . . . . 5340 1 87 . 1 1 26 26 PHE C C 13 176.93 . . . . . . . . . . . 5340 1 88 . 1 1 26 26 PHE CA C 13 62.49 . . . . . . . . . . . 5340 1 89 . 1 1 26 26 PHE CB C 13 40.23 . . . . . . . . . . . 5340 1 90 . 1 1 26 26 PHE N N 15 124.42 . . . . . . . . . . . 5340 1 91 . 1 1 27 27 LEU H H 1 8.17 . . . . . . . . . . . 5340 1 92 . 1 1 27 27 LEU C C 13 178.63 . . . . . . . . . . . 5340 1 93 . 1 1 27 27 LEU CA C 13 58.36 . . . . . . . . . . . 5340 1 94 . 1 1 27 27 LEU CB C 13 41.98 . . . . . . . . . . . 5340 1 95 . 1 1 27 27 LEU N N 15 119.31 . . . . . . . . . . . 5340 1 96 . 1 1 28 28 GLN H H 1 8.50 . . . . . . . . . . . 5340 1 97 . 1 1 28 28 GLN C C 13 177.74 . . . . . . . . . . . 5340 1 98 . 1 1 28 28 GLN CA C 13 59.01 . . . . . . . . . . . 5340 1 99 . 1 1 28 28 GLN CB C 13 29.54 . . . . . . . . . . . 5340 1 100 . 1 1 28 28 GLN N N 15 116.90 . . . . . . . . . . . 5340 1 101 . 1 1 29 29 SER H H 1 7.54 . . . . . . . . . . . 5340 1 102 . 1 1 29 29 SER C C 13 173.83 . . . . . . . . . . . 5340 1 103 . 1 1 29 29 SER CA C 13 61.05 . . . . . . . . . . . 5340 1 104 . 1 1 29 29 SER CB C 13 64.87 . . . . . . . . . . . 5340 1 105 . 1 1 29 29 SER N N 15 112.99 . . . . . . . . . . . 5340 1 106 . 1 1 30 30 CYS H H 1 7.19 . . . . . . . . . . . 5340 1 107 . 1 1 30 30 CYS C C 13 173.74 . . . . . . . . . . . 5340 1 108 . 1 1 30 30 CYS CA C 13 59.46 . . . . . . . . . . . 5340 1 109 . 1 1 30 30 CYS CB C 13 28.27 . . . . . . . . . . . 5340 1 110 . 1 1 30 30 CYS N N 15 117.74 . . . . . . . . . . . 5340 1 111 . 1 1 31 31 SER H H 1 8.13 . . . . . . . . . . . 5340 1 112 . 1 1 31 31 SER C C 13 173.46 . . . . . . . . . . . 5340 1 113 . 1 1 31 31 SER CA C 13 59.73 . . . . . . . . . . . 5340 1 114 . 1 1 31 31 SER CB C 13 64.15 . . . . . . . . . . . 5340 1 115 . 1 1 31 31 SER N N 15 116.43 . . . . . . . . . . . 5340 1 116 . 1 1 32 32 ASP H H 1 7.34 . . . . . . . . . . . 5340 1 117 . 1 1 32 32 ASP C C 13 175.49 . . . . . . . . . . . 5340 1 118 . 1 1 32 32 ASP CA C 13 54.27 . . . . . . . . . . . 5340 1 119 . 1 1 32 32 ASP CB C 13 42.70 . . . . . . . . . . . 5340 1 120 . 1 1 32 32 ASP N N 15 120.46 . . . . . . . . . . . 5340 1 121 . 1 1 33 33 ASN H H 1 8.51 . . . . . . . . . . . 5340 1 122 . 1 1 33 33 ASN C C 13 176.75 . . . . . . . . . . . 5340 1 123 . 1 1 33 33 ASN CA C 13 54.83 . . . . . . . . . . . 5340 1 124 . 1 1 33 33 ASN CB C 13 39.19 . . . . . . . . . . . 5340 1 125 . 1 1 33 33 ASN N N 15 120.81 . . . . . . . . . . . 5340 1 126 . 1 1 34 34 SER H H 1 8.69 . . . . . . . . . . . 5340 1 127 . 1 1 34 34 SER C C 13 174.66 . . . . . . . . . . . 5340 1 128 . 1 1 34 34 SER CA C 13 62.15 . . . . . . . . . . . 5340 1 129 . 1 1 34 34 SER CB C 13 64.31 . . . . . . . . . . . 5340 1 130 . 1 1 34 34 SER N N 15 117.13 . . . . . . . . . . . 5340 1 131 . 1 1 35 35 PHE H H 1 7.18 . . . . . . . . . . . 5340 1 132 . 1 1 35 35 PHE C C 13 174.92 . . . . . . . . . . . 5340 1 133 . 1 1 35 35 PHE CA C 13 56.33 . . . . . . . . . . . 5340 1 134 . 1 1 35 35 PHE CB C 13 38.32 . . . . . . . . . . . 5340 1 135 . 1 1 35 35 PHE N N 15 115.13 . . . . . . . . . . . 5340 1 136 . 1 1 36 36 ARG H H 1 7.15 . . . . . . . . . . . 5340 1 137 . 1 1 36 36 ARG C C 13 177.51 . . . . . . . . . . . 5340 1 138 . 1 1 36 36 ARG CA C 13 60.13 . . . . . . . . . . . 5340 1 139 . 1 1 36 36 ARG CB C 13 30.22 . . . . . . . . . . . 5340 1 140 . 1 1 36 36 ARG N N 15 122.30 . . . . . . . . . . . 5340 1 141 . 1 1 37 37 ARG H H 1 8.67 . . . . . . . . . . . 5340 1 142 . 1 1 37 37 ARG C C 13 179.44 . . . . . . . . . . . 5340 1 143 . 1 1 37 37 ARG CA C 13 60.20 . . . . . . . . . . . 5340 1 144 . 1 1 37 37 ARG CB C 13 29.73 . . . . . . . . . . . 5340 1 145 . 1 1 37 37 ARG N N 15 118.79 . . . . . . . . . . . 5340 1 146 . 1 1 38 38 GLU H H 1 8.97 . . . . . . . . . . . 5340 1 147 . 1 1 38 38 GLU C C 13 179.13 . . . . . . . . . . . 5340 1 148 . 1 1 38 38 GLU CA C 13 61.16 . . . . . . . . . . . 5340 1 149 . 1 1 38 38 GLU CB C 13 28.61 . . . . . . . . . . . 5340 1 150 . 1 1 38 38 GLU N N 15 121.74 . . . . . . . . . . . 5340 1 151 . 1 1 39 39 LEU H H 1 8.60 . . . . . . . . . . . 5340 1 152 . 1 1 39 39 LEU C C 13 177.91 . . . . . . . . . . . 5340 1 153 . 1 1 39 39 LEU CA C 13 58.55 . . . . . . . . . . . 5340 1 154 . 1 1 39 39 LEU CB C 13 42.65 . . . . . . . . . . . 5340 1 155 . 1 1 39 39 LEU N N 15 123.14 . . . . . . . . . . . 5340 1 156 . 1 1 40 40 ASP H H 1 8.50 . . . . . . . . . . . 5340 1 157 . 1 1 40 40 ASP C C 13 179.15 . . . . . . . . . . . 5340 1 158 . 1 1 40 40 ASP CA C 13 57.90 . . . . . . . . . . . 5340 1 159 . 1 1 40 40 ASP CB C 13 40.73 . . . . . . . . . . . 5340 1 160 . 1 1 40 40 ASP N N 15 119.42 . . . . . . . . . . . 5340 1 161 . 1 1 41 41 ALA H H 1 7.59 . . . . . . . . . . . 5340 1 162 . 1 1 41 41 ALA C C 13 180.29 . . . . . . . . . . . 5340 1 163 . 1 1 41 41 ALA CA C 13 55.83 . . . . . . . . . . . 5340 1 164 . 1 1 41 41 ALA CB C 13 18.26 . . . . . . . . . . . 5340 1 165 . 1 1 41 41 ALA N N 15 120.88 . . . . . . . . . . . 5340 1 166 . 1 1 42 42 LEU H H 1 7.90 . . . . . . . . . . . 5340 1 167 . 1 1 42 42 LEU C C 13 178.75 . . . . . . . . . . . 5340 1 168 . 1 1 42 42 LEU CA C 13 58.32 . . . . . . . . . . . 5340 1 169 . 1 1 42 42 LEU CB C 13 42.17 . . . . . . . . . . . 5340 1 170 . 1 1 42 42 LEU N N 15 120.99 . . . . . . . . . . . 5340 1 171 . 1 1 43 43 GLY H H 1 8.33 . . . . . . . . . . . 5340 1 172 . 1 1 43 43 GLY C C 13 175.08 . . . . . . . . . . . 5340 1 173 . 1 1 43 43 GLY CA C 13 48.30 . . . . . . . . . . . 5340 1 174 . 1 1 43 43 GLY N N 15 104.07 . . . . . . . . . . . 5340 1 175 . 1 1 44 44 HIS H H 1 7.28 . . . . . . . . . . . 5340 1 176 . 1 1 44 44 HIS C C 13 175.24 . . . . . . . . . . . 5340 1 177 . 1 1 44 44 HIS CA C 13 57.98 . . . . . . . . . . . 5340 1 178 . 1 1 44 44 HIS CB C 13 29.65 . . . . . . . . . . . 5340 1 179 . 1 1 44 44 HIS N N 15 115.11 . . . . . . . . . . . 5340 1 180 . 1 1 45 45 GLU H H 1 7.87 . . . . . . . . . . . 5340 1 181 . 1 1 45 45 GLU C C 13 176.27 . . . . . . . . . . . 5340 1 182 . 1 1 45 45 GLU CA C 13 56.87 . . . . . . . . . . . 5340 1 183 . 1 1 45 45 GLU CB C 13 31.02 . . . . . . . . . . . 5340 1 184 . 1 1 45 45 GLU N N 15 117.28 . . . . . . . . . . . 5340 1 185 . 1 1 46 46 LEU H H 1 7.05 . . . . . . . . . . . 5340 1 186 . 1 1 46 46 LEU C C 13 174.90 . . . . . . . . . . . 5340 1 187 . 1 1 46 46 LEU CA C 13 53.95 . . . . . . . . . . . 5340 1 188 . 1 1 46 46 LEU CB C 13 41.45 . . . . . . . . . . . 5340 1 189 . 1 1 46 46 LEU N N 15 120.32 . . . . . . . . . . . 5340 1 190 . 1 1 48 48 VAL H H 1 7.76 . . . . . . . . . . . 5340 1 191 . 1 1 48 48 VAL C C 13 175.38 . . . . . . . . . . . 5340 1 192 . 1 1 48 48 VAL CA C 13 62.39 . . . . . . . . . . . 5340 1 193 . 1 1 48 48 VAL CB C 13 32.94 . . . . . . . . . . . 5340 1 194 . 1 1 48 48 VAL N N 15 115.64 . . . . . . . . . . . 5340 1 195 . 1 1 49 49 LEU H H 1 8.04 . . . . . . . . . . . 5340 1 196 . 1 1 49 49 LEU C C 13 176.00 . . . . . . . . . . . 5340 1 197 . 1 1 49 49 LEU CA C 13 55.48 . . . . . . . . . . . 5340 1 198 . 1 1 49 49 LEU CB C 13 42.09 . . . . . . . . . . . 5340 1 199 . 1 1 49 49 LEU N N 15 122.95 . . . . . . . . . . . 5340 1 200 . 1 1 50 50 ALA H H 1 7.89 . . . . . . . . . . . 5340 1 201 . 1 1 50 50 ALA C C 13 175.24 . . . . . . . . . . . 5340 1 202 . 1 1 50 50 ALA CA C 13 51.84 . . . . . . . . . . . 5340 1 203 . 1 1 50 50 ALA CB C 13 18.26 . . . . . . . . . . . 5340 1 204 . 1 1 50 50 ALA N N 15 125.90 . . . . . . . . . . . 5340 1 205 . 1 1 53 53 TRP H H 1 8.00 . . . . . . . . . . . 5340 1 206 . 1 1 53 53 TRP C C 13 175.96 . . . . . . . . . . . 5340 1 207 . 1 1 53 53 TRP CA C 13 57.86 . . . . . . . . . . . 5340 1 208 . 1 1 53 53 TRP CB C 13 30.46 . . . . . . . . . . . 5340 1 209 . 1 1 53 53 TRP N N 15 121.17 . . . . . . . . . . . 5340 1 210 . 1 1 54 54 GLU H H 1 8.30 . . . . . . . . . . . 5340 1 211 . 1 1 54 54 GLU C C 13 176.27 . . . . . . . . . . . 5340 1 212 . 1 1 54 54 GLU CA C 13 57.59 . . . . . . . . . . . 5340 1 213 . 1 1 54 54 GLU CB C 13 30.54 . . . . . . . . . . . 5340 1 214 . 1 1 54 54 GLU N N 15 122.55 . . . . . . . . . . . 5340 1 215 . 1 1 55 55 GLY H H 1 7.69 . . . . . . . . . . . 5340 1 216 . 1 1 55 55 GLY C C 13 173.53 . . . . . . . . . . . 5340 1 217 . 1 1 55 55 GLY CA C 13 45.86 . . . . . . . . . . . 5340 1 218 . 1 1 55 55 GLY N N 15 108.58 . . . . . . . . . . . 5340 1 219 . 1 1 56 56 TYR H H 1 7.88 . . . . . . . . . . . 5340 1 220 . 1 1 56 56 TYR C C 13 175.28 . . . . . . . . . . . 5340 1 221 . 1 1 56 56 TYR CA C 13 58.98 . . . . . . . . . . . 5340 1 222 . 1 1 56 56 TYR CB C 13 39.44 . . . . . . . . . . . 5340 1 223 . 1 1 56 56 TYR N N 15 119.42 . . . . . . . . . . . 5340 1 224 . 1 1 57 57 ASP H H 1 8.25 . . . . . . . . . . . 5340 1 225 . 1 1 57 57 ASP C C 13 175.93 . . . . . . . . . . . 5340 1 226 . 1 1 57 57 ASP CA C 13 55.14 . . . . . . . . . . . 5340 1 227 . 1 1 57 57 ASP CB C 13 42.01 . . . . . . . . . . . 5340 1 228 . 1 1 57 57 ASP N N 15 121.58 . . . . . . . . . . . 5340 1 229 . 1 1 58 58 GLU H H 1 8.29 . . . . . . . . . . . 5340 1 230 . 1 1 58 58 GLU C C 13 176.32 . . . . . . . . . . . 5340 1 231 . 1 1 58 58 GLU CA C 13 57.71 . . . . . . . . . . . 5340 1 232 . 1 1 58 58 GLU CB C 13 30.38 . . . . . . . . . . . 5340 1 233 . 1 1 58 58 GLU N N 15 120.94 . . . . . . . . . . . 5340 1 234 . 1 1 59 59 LEU H H 1 8.17 . . . . . . . . . . . 5340 1 235 . 1 1 59 59 LEU C C 13 176.32 . . . . . . . . . . . 5340 1 236 . 1 1 59 59 LEU CA C 13 56.16 . . . . . . . . . . . 5340 1 237 . 1 1 59 59 LEU CB C 13 42.17 . . . . . . . . . . . 5340 1 238 . 1 1 59 59 LEU N N 15 121.15 . . . . . . . . . . . 5340 1 239 . 1 1 60 60 GLN H H 1 8.15 . . . . . . . . . . . 5340 1 240 . 1 1 60 60 GLN C C 13 176.10 . . . . . . . . . . . 5340 1 241 . 1 1 60 60 GLN CA C 13 56.44 . . . . . . . . . . . 5340 1 242 . 1 1 60 60 GLN CB C 13 29.57 . . . . . . . . . . . 5340 1 243 . 1 1 60 60 GLN N N 15 119.93 . . . . . . . . . . . 5340 1 244 . 1 1 61 61 THR H H 1 8.15 . . . . . . . . . . . 5340 1 245 . 1 1 61 61 THR C C 13 174.29 . . . . . . . . . . . 5340 1 246 . 1 1 61 61 THR CA C 13 62.77 . . . . . . . . . . . 5340 1 247 . 1 1 61 61 THR CB C 13 70.58 . . . . . . . . . . . 5340 1 248 . 1 1 61 61 THR N N 15 114.15 . . . . . . . . . . . 5340 1 249 . 1 1 62 62 ASP H H 1 8.31 . . . . . . . . . . . 5340 1 250 . 1 1 62 62 ASP C C 13 174.29 . . . . . . . . . . . 5340 1 251 . 1 1 62 62 ASP CA C 13 55.25 . . . . . . . . . . . 5340 1 252 . 1 1 62 62 ASP CB C 13 41.66 . . . . . . . . . . . 5340 1 253 . 1 1 62 62 ASP N N 15 121.46 . . . . . . . . . . . 5340 1 254 . 1 1 63 63 GLY H H 1 8.32 . . . . . . . . . . . 5340 1 255 . 1 1 63 63 GLY C C 13 174.03 . . . . . . . . . . . 5340 1 256 . 1 1 63 63 GLY CA C 13 46.37 . . . . . . . . . . . 5340 1 257 . 1 1 63 63 GLY N N 15 108.61 . . . . . . . . . . . 5340 1 258 . 1 1 64 64 ASN H H 1 8.26 . . . . . . . . . . . 5340 1 259 . 1 1 64 64 ASN C C 13 175.18 . . . . . . . . . . . 5340 1 260 . 1 1 64 64 ASN CA C 13 54.22 . . . . . . . . . . . 5340 1 261 . 1 1 64 64 ASN CB C 13 39.43 . . . . . . . . . . . 5340 1 262 . 1 1 64 64 ASN N N 15 118.31 . . . . . . . . . . . 5340 1 263 . 1 1 65 65 ARG H H 1 8.22 . . . . . . . . . . . 5340 1 264 . 1 1 65 65 ARG C C 13 176.32 . . . . . . . . . . . 5340 1 265 . 1 1 65 65 ARG CA C 13 57.22 . . . . . . . . . . . 5340 1 266 . 1 1 65 65 ARG CB C 13 30.82 . . . . . . . . . . . 5340 1 267 . 1 1 65 65 ARG N N 15 120.66 . . . . . . . . . . . 5340 1 268 . 1 1 66 66 SER H H 1 8.35 . . . . . . . . . . . 5340 1 269 . 1 1 66 66 SER C C 13 174.61 . . . . . . . . . . . 5340 1 270 . 1 1 66 66 SER CA C 13 59.47 . . . . . . . . . . . 5340 1 271 . 1 1 66 66 SER CB C 13 64.71 . . . . . . . . . . . 5340 1 272 . 1 1 66 66 SER N N 15 116.01 . . . . . . . . . . . 5340 1 273 . 1 1 71 71 LEU H H 1 8.19 . . . . . . . . . . . 5340 1 274 . 1 1 71 71 LEU C C 13 177.51 . . . . . . . . . . . 5340 1 275 . 1 1 71 71 LEU CA C 13 56.14 . . . . . . . . . . . 5340 1 276 . 1 1 71 71 LEU CB C 13 42.22 . . . . . . . . . . . 5340 1 277 . 1 1 71 71 LEU N N 15 121.78 . . . . . . . . . . . 5340 1 278 . 1 1 72 72 GLY H H 1 8.32 . . . . . . . . . . . 5340 1 279 . 1 1 72 72 GLY C C 13 173.53 . . . . . . . . . . . 5340 1 280 . 1 1 72 72 GLY CA C 13 46.57 . . . . . . . . . . . 5340 1 281 . 1 1 72 72 GLY N N 15 108.97 . . . . . . . . . . . 5340 1 282 . 1 1 73 73 ARG H H 1 8.01 . . . . . . . . . . . 5340 1 283 . 1 1 73 73 ARG C C 13 175.94 . . . . . . . . . . . 5340 1 284 . 1 1 73 73 ARG CA C 13 56.66 . . . . . . . . . . . 5340 1 285 . 1 1 73 73 ARG CB C 13 31.06 . . . . . . . . . . . 5340 1 286 . 1 1 73 73 ARG N N 15 120.05 . . . . . . . . . . . 5340 1 287 . 1 1 74 74 ILE H H 1 8.27 . . . . . . . . . . . 5340 1 288 . 1 1 74 74 ILE C C 13 176.13 . . . . . . . . . . . 5340 1 289 . 1 1 74 74 ILE CA C 13 61.93 . . . . . . . . . . . 5340 1 290 . 1 1 74 74 ILE CB C 13 38.79 . . . . . . . . . . . 5340 1 291 . 1 1 74 74 ILE N N 15 121.99 . . . . . . . . . . . 5340 1 292 . 1 1 75 75 GLU H H 1 8.50 . . . . . . . . . . . 5340 1 293 . 1 1 75 75 GLU C C 13 175.99 . . . . . . . . . . . 5340 1 294 . 1 1 75 75 GLU CA C 13 57.34 . . . . . . . . . . . 5340 1 295 . 1 1 75 75 GLU CB C 13 30.26 . . . . . . . . . . . 5340 1 296 . 1 1 75 75 GLU N N 15 124.08 . . . . . . . . . . . 5340 1 297 . 1 1 76 76 ALA H H 1 8.26 . . . . . . . . . . . 5340 1 298 . 1 1 76 76 ALA C C 13 177.25 . . . . . . . . . . . 5340 1 299 . 1 1 76 76 ALA CA C 13 53.55 . . . . . . . . . . . 5340 1 300 . 1 1 76 76 ALA CB C 13 19.74 . . . . . . . . . . . 5340 1 301 . 1 1 76 76 ALA N N 15 123.92 . . . . . . . . . . . 5340 1 302 . 1 1 77 77 ASP H H 1 8.27 . . . . . . . . . . . 5340 1 303 . 1 1 77 77 ASP C C 13 176.11 . . . . . . . . . . . 5340 1 304 . 1 1 77 77 ASP CA C 13 55.37 . . . . . . . . . . . 5340 1 305 . 1 1 77 77 ASP CB C 13 41.42 . . . . . . . . . . . 5340 1 306 . 1 1 77 77 ASP N N 15 118.65 . . . . . . . . . . . 5340 1 307 . 1 1 78 78 SER H H 1 8.09 . . . . . . . . . . . 5340 1 308 . 1 1 78 78 SER C C 13 174.27 . . . . . . . . . . . 5340 1 309 . 1 1 78 78 SER CA C 13 59.69 . . . . . . . . . . . 5340 1 310 . 1 1 78 78 SER CB C 13 64.95 . . . . . . . . . . . 5340 1 311 . 1 1 78 78 SER N N 15 115.09 . . . . . . . . . . . 5340 1 312 . 1 1 79 79 GLU H H 1 8.37 . . . . . . . . . . . 5340 1 313 . 1 1 79 79 GLU C C 13 176.38 . . . . . . . . . . . 5340 1 314 . 1 1 79 79 GLU CA C 13 57.60 . . . . . . . . . . . 5340 1 315 . 1 1 79 79 GLU CB C 13 30.74 . . . . . . . . . . . 5340 1 316 . 1 1 79 79 GLU N N 15 122.09 . . . . . . . . . . . 5340 1 317 . 1 1 80 80 SER H H 1 8.71 . . . . . . . . . . . 5340 1 318 . 1 1 80 80 SER C C 13 175.21 . . . . . . . . . . . 5340 1 319 . 1 1 80 80 SER CA C 13 58.85 . . . . . . . . . . . 5340 1 320 . 1 1 80 80 SER CB C 13 65.43 . . . . . . . . . . . 5340 1 321 . 1 1 80 80 SER N N 15 117.56 . . . . . . . . . . . 5340 1 322 . 1 1 81 81 GLN H H 1 8.76 . . . . . . . . . . . 5340 1 323 . 1 1 81 81 GLN C C 13 177.90 . . . . . . . . . . . 5340 1 324 . 1 1 81 81 GLN CA C 13 59.35 . . . . . . . . . . . 5340 1 325 . 1 1 81 81 GLN CB C 13 29.46 . . . . . . . . . . . 5340 1 326 . 1 1 81 81 GLN N N 15 121.76 . . . . . . . . . . . 5340 1 327 . 1 1 82 82 GLU H H 1 8.98 . . . . . . . . . . . 5340 1 328 . 1 1 82 82 GLU C C 13 178.22 . . . . . . . . . . . 5340 1 329 . 1 1 82 82 GLU CA C 13 60.98 . . . . . . . . . . . 5340 1 330 . 1 1 82 82 GLU CB C 13 29.30 . . . . . . . . . . . 5340 1 331 . 1 1 82 82 GLU N N 15 118.65 . . . . . . . . . . . 5340 1 332 . 1 1 83 83 ASP H H 1 7.91 . . . . . . . . . . . 5340 1 333 . 1 1 83 83 ASP C C 13 178.15 . . . . . . . . . . . 5340 1 334 . 1 1 83 83 ASP CA C 13 60.97 . . . . . . . . . . . 5340 1 335 . 1 1 83 83 ASP CB C 13 41.19 . . . . . . . . . . . 5340 1 336 . 1 1 83 83 ASP N N 15 120.60 . . . . . . . . . . . 5340 1 337 . 1 1 84 84 ILE H H 1 7.97 . . . . . . . . . . . 5340 1 338 . 1 1 84 84 ILE C C 13 178.73 . . . . . . . . . . . 5340 1 339 . 1 1 84 84 ILE CA C 13 65.55 . . . . . . . . . . . 5340 1 340 . 1 1 84 84 ILE CB C 13 38.40 . . . . . . . . . . . 5340 1 341 . 1 1 84 84 ILE N N 15 121.16 . . . . . . . . . . . 5340 1 342 . 1 1 85 85 ILE H H 1 8.05 . . . . . . . . . . . 5340 1 343 . 1 1 85 85 ILE C C 13 177.19 . . . . . . . . . . . 5340 1 344 . 1 1 85 85 ILE CA C 13 64.28 . . . . . . . . . . . 5340 1 345 . 1 1 85 85 ILE CB C 13 36.80 . . . . . . . . . . . 5340 1 346 . 1 1 85 85 ILE N N 15 118.80 . . . . . . . . . . . 5340 1 347 . 1 1 86 86 ARG H H 1 8.14 . . . . . . . . . . . 5340 1 348 . 1 1 86 86 ARG C C 13 178.73 . . . . . . . . . . . 5340 1 349 . 1 1 86 86 ARG CA C 13 60.60 . . . . . . . . . . . 5340 1 350 . 1 1 86 86 ARG CB C 13 29.94 . . . . . . . . . . . 5340 1 351 . 1 1 86 86 ARG N N 15 119.95 . . . . . . . . . . . 5340 1 352 . 1 1 87 87 ASN H H 1 8.12 . . . . . . . . . . . 5340 1 353 . 1 1 87 87 ASN C C 13 178.56 . . . . . . . . . . . 5340 1 354 . 1 1 87 87 ASN CA C 13 57.11 . . . . . . . . . . . 5340 1 355 . 1 1 87 87 ASN CB C 13 38.63 . . . . . . . . . . . 5340 1 356 . 1 1 87 87 ASN N N 15 117.93 . . . . . . . . . . . 5340 1 357 . 1 1 88 88 ILE H H 1 8.40 . . . . . . . . . . . 5340 1 358 . 1 1 88 88 ILE C C 13 177.72 . . . . . . . . . . . 5340 1 359 . 1 1 88 88 ILE CA C 13 65.45 . . . . . . . . . . . 5340 1 360 . 1 1 88 88 ILE CB C 13 38.40 . . . . . . . . . . . 5340 1 361 . 1 1 88 88 ILE N N 15 122.73 . . . . . . . . . . . 5340 1 362 . 1 1 89 89 ALA H H 1 8.81 . . . . . . . . . . . 5340 1 363 . 1 1 89 89 ALA C C 13 178.84 . . . . . . . . . . . 5340 1 364 . 1 1 89 89 ALA CA C 13 56.81 . . . . . . . . . . . 5340 1 365 . 1 1 89 89 ALA CB C 13 18.14 . . . . . . . . . . . 5340 1 366 . 1 1 89 89 ALA N N 15 122.46 . . . . . . . . . . . 5340 1 367 . 1 1 90 90 ARG H H 1 7.97 . . . . . . . . . . . 5340 1 368 . 1 1 90 90 ARG C C 13 179.11 . . . . . . . . . . . 5340 1 369 . 1 1 90 90 ARG CA C 13 60.11 . . . . . . . . . . . 5340 1 370 . 1 1 90 90 ARG CB C 13 30.50 . . . . . . . . . . . 5340 1 371 . 1 1 90 90 ARG N N 15 115.98 . . . . . . . . . . . 5340 1 372 . 1 1 91 91 HIS H H 1 7.90 . . . . . . . . . . . 5340 1 373 . 1 1 91 91 HIS C C 13 177.79 . . . . . . . . . . . 5340 1 374 . 1 1 91 91 HIS CA C 13 60.07 . . . . . . . . . . . 5340 1 375 . 1 1 91 91 HIS CB C 13 29.46 . . . . . . . . . . . 5340 1 376 . 1 1 91 91 HIS N N 15 119.88 . . . . . . . . . . . 5340 1 377 . 1 1 92 92 LEU H H 1 8.97 . . . . . . . . . . . 5340 1 378 . 1 1 92 92 LEU C C 13 178.88 . . . . . . . . . . . 5340 1 379 . 1 1 92 92 LEU CA C 13 58.40 . . . . . . . . . . . 5340 1 380 . 1 1 92 92 LEU CB C 13 41.19 . . . . . . . . . . . 5340 1 381 . 1 1 92 92 LEU N N 15 118.18 . . . . . . . . . . . 5340 1 382 . 1 1 93 93 ALA H H 1 8.34 . . . . . . . . . . . 5340 1 383 . 1 1 93 93 ALA C C 13 179.32 . . . . . . . . . . . 5340 1 384 . 1 1 93 93 ALA CA C 13 55.86 . . . . . . . . . . . 5340 1 385 . 1 1 93 93 ALA CB C 13 17.82 . . . . . . . . . . . 5340 1 386 . 1 1 93 93 ALA N N 15 121.96 . . . . . . . . . . . 5340 1 387 . 1 1 94 94 GLN H H 1 7.57 . . . . . . . . . . . 5340 1 388 . 1 1 94 94 GLN C C 13 179.32 . . . . . . . . . . . 5340 1 389 . 1 1 94 94 GLN CA C 13 59.58 . . . . . . . . . . . 5340 1 390 . 1 1 94 94 GLN CB C 13 28.35 . . . . . . . . . . . 5340 1 391 . 1 1 94 94 GLN N N 15 119.08 . . . . . . . . . . . 5340 1 392 . 1 1 95 95 VAL H H 1 8.06 . . . . . . . . . . . 5340 1 393 . 1 1 95 95 VAL C C 13 179.57 . . . . . . . . . . . 5340 1 394 . 1 1 95 95 VAL CA C 13 66.21 . . . . . . . . . . . 5340 1 395 . 1 1 95 95 VAL CB C 13 31.86 . . . . . . . . . . . 5340 1 396 . 1 1 95 95 VAL N N 15 120.77 . . . . . . . . . . . 5340 1 397 . 1 1 96 96 GLY H H 1 9.03 . . . . . . . . . . . 5340 1 398 . 1 1 96 96 GLY C C 13 174.93 . . . . . . . . . . . 5340 1 399 . 1 1 96 96 GLY CA C 13 48.24 . . . . . . . . . . . 5340 1 400 . 1 1 96 96 GLY N N 15 108.56 . . . . . . . . . . . 5340 1 401 . 1 1 97 97 ASP H H 1 7.93 . . . . . . . . . . . 5340 1 402 . 1 1 97 97 ASP C C 13 178.43 . . . . . . . . . . . 5340 1 403 . 1 1 97 97 ASP CA C 13 58.44 . . . . . . . . . . . 5340 1 404 . 1 1 97 97 ASP CB C 13 41.27 . . . . . . . . . . . 5340 1 405 . 1 1 97 97 ASP N N 15 121.18 . . . . . . . . . . . 5340 1 406 . 1 1 98 98 SER H H 1 7.72 . . . . . . . . . . . 5340 1 407 . 1 1 98 98 SER C C 13 175.09 . . . . . . . . . . . 5340 1 408 . 1 1 98 98 SER CA C 13 61.47 . . . . . . . . . . . 5340 1 409 . 1 1 98 98 SER CB C 13 64.39 . . . . . . . . . . . 5340 1 410 . 1 1 98 98 SER N N 15 113.13 . . . . . . . . . . . 5340 1 411 . 1 1 99 99 MET H H 1 7.61 . . . . . . . . . . . 5340 1 412 . 1 1 99 99 MET C C 13 176.89 . . . . . . . . . . . 5340 1 413 . 1 1 99 99 MET CA C 13 57.26 . . . . . . . . . . . 5340 1 414 . 1 1 99 99 MET CB C 13 35.05 . . . . . . . . . . . 5340 1 415 . 1 1 99 99 MET N N 15 119.82 . . . . . . . . . . . 5340 1 416 . 1 1 100 100 ASP H H 1 7.64 . . . . . . . . . . . 5340 1 417 . 1 1 100 100 ASP C C 13 177.25 . . . . . . . . . . . 5340 1 418 . 1 1 100 100 ASP CA C 13 59.34 . . . . . . . . . . . 5340 1 419 . 1 1 100 100 ASP CB C 13 43.74 . . . . . . . . . . . 5340 1 420 . 1 1 100 100 ASP N N 15 122.07 . . . . . . . . . . . 5340 1 421 . 1 1 101 101 ARG H H 1 8.30 . . . . . . . . . . . 5340 1 422 . 1 1 101 101 ARG C C 13 176.80 . . . . . . . . . . . 5340 1 423 . 1 1 101 101 ARG CA C 13 58.06 . . . . . . . . . . . 5340 1 424 . 1 1 101 101 ARG CB C 13 29.70 . . . . . . . . . . . 5340 1 425 . 1 1 101 101 ARG N N 15 114.09 . . . . . . . . . . . 5340 1 426 . 1 1 102 102 SER H H 1 7.92 . . . . . . . . . . . 5340 1 427 . 1 1 102 102 SER C C 13 173.42 . . . . . . . . . . . 5340 1 428 . 1 1 102 102 SER CA C 13 60.03 . . . . . . . . . . . 5340 1 429 . 1 1 102 102 SER CB C 13 64.71 . . . . . . . . . . . 5340 1 430 . 1 1 102 102 SER N N 15 114.10 . . . . . . . . . . . 5340 1 431 . 1 1 103 103 ILE H H 1 7.26 . . . . . . . . . . . 5340 1 432 . 1 1 103 103 ILE C C 13 173.44 . . . . . . . . . . . 5340 1 433 . 1 1 103 103 ILE CA C 13 58.88 . . . . . . . . . . . 5340 1 434 . 1 1 103 103 ILE CB C 13 37.76 . . . . . . . . . . . 5340 1 435 . 1 1 103 103 ILE N N 15 122.11 . . . . . . . . . . . 5340 1 436 . 1 1 107 107 LEU H H 1 7.09 . . . . . . . . . . . 5340 1 437 . 1 1 107 107 LEU C C 13 178.91 . . . . . . . . . . . 5340 1 438 . 1 1 107 107 LEU CA C 13 58.25 . . . . . . . . . . . 5340 1 439 . 1 1 107 107 LEU CB C 13 42.62 . . . . . . . . . . . 5340 1 440 . 1 1 107 107 LEU N N 15 123.20 . . . . . . . . . . . 5340 1 441 . 1 1 108 108 VAL H H 1 6.96 . . . . . . . . . . . 5340 1 442 . 1 1 108 108 VAL C C 13 176.38 . . . . . . . . . . . 5340 1 443 . 1 1 108 108 VAL CA C 13 66.84 . . . . . . . . . . . 5340 1 444 . 1 1 108 108 VAL CB C 13 31.94 . . . . . . . . . . . 5340 1 445 . 1 1 108 108 VAL N N 15 119.43 . . . . . . . . . . . 5340 1 446 . 1 1 109 109 ASN H H 1 8.29 . . . . . . . . . . . 5340 1 447 . 1 1 109 109 ASN C C 13 176.98 . . . . . . . . . . . 5340 1 448 . 1 1 109 109 ASN CA C 13 57.17 . . . . . . . . . . . 5340 1 449 . 1 1 109 109 ASN CB C 13 39.43 . . . . . . . . . . . 5340 1 450 . 1 1 109 109 ASN N N 15 116.01 . . . . . . . . . . . 5340 1 451 . 1 1 110 110 GLY H H 1 7.87 . . . . . . . . . . . 5340 1 452 . 1 1 110 110 GLY C C 13 175.85 . . . . . . . . . . . 5340 1 453 . 1 1 110 110 GLY CA C 13 47.73 . . . . . . . . . . . 5340 1 454 . 1 1 110 110 GLY N N 15 104.21 . . . . . . . . . . . 5340 1 455 . 1 1 111 111 LEU H H 1 7.71 . . . . . . . . . . . 5340 1 456 . 1 1 111 111 LEU C C 13 178.26 . . . . . . . . . . . 5340 1 457 . 1 1 111 111 LEU CA C 13 57.94 . . . . . . . . . . . 5340 1 458 . 1 1 111 111 LEU CB C 13 42.14 . . . . . . . . . . . 5340 1 459 . 1 1 111 111 LEU N N 15 122.74 . . . . . . . . . . . 5340 1 460 . 1 1 112 112 ALA H H 1 8.32 . . . . . . . . . . . 5340 1 461 . 1 1 112 112 ALA C C 13 179.12 . . . . . . . . . . . 5340 1 462 . 1 1 112 112 ALA CA C 13 56.09 . . . . . . . . . . . 5340 1 463 . 1 1 112 112 ALA CB C 13 18.30 . . . . . . . . . . . 5340 1 464 . 1 1 112 112 ALA N N 15 120.70 . . . . . . . . . . . 5340 1 465 . 1 1 113 113 LEU H H 1 7.67 . . . . . . . . . . . 5340 1 466 . 1 1 113 113 LEU C C 13 180.20 . . . . . . . . . . . 5340 1 467 . 1 1 113 113 LEU CA C 13 58.67 . . . . . . . . . . . 5340 1 468 . 1 1 113 113 LEU CB C 13 41.66 . . . . . . . . . . . 5340 1 469 . 1 1 113 113 LEU N N 15 115.51 . . . . . . . . . . . 5340 1 470 . 1 1 114 114 GLN H H 1 7.67 . . . . . . . . . . . 5340 1 471 . 1 1 114 114 GLN C C 13 179.26 . . . . . . . . . . . 5340 1 472 . 1 1 114 114 GLN CA C 13 59.01 . . . . . . . . . . . 5340 1 473 . 1 1 114 114 GLN CB C 13 28.99 . . . . . . . . . . . 5340 1 474 . 1 1 114 114 GLN N N 15 118.42 . . . . . . . . . . . 5340 1 475 . 1 1 115 115 LEU H H 1 8.24 . . . . . . . . . . . 5340 1 476 . 1 1 115 115 LEU C C 13 177.35 . . . . . . . . . . . 5340 1 477 . 1 1 115 115 LEU CA C 13 57.64 . . . . . . . . . . . 5340 1 478 . 1 1 115 115 LEU CB C 13 42.62 . . . . . . . . . . . 5340 1 479 . 1 1 115 115 LEU N N 15 118.01 . . . . . . . . . . . 5340 1 480 . 1 1 116 116 ARG H H 1 7.55 . . . . . . . . . . . 5340 1 481 . 1 1 116 116 ARG C C 13 175.97 . . . . . . . . . . . 5340 1 482 . 1 1 116 116 ARG CA C 13 57.49 . . . . . . . . . . . 5340 1 483 . 1 1 116 116 ARG CB C 13 31.06 . . . . . . . . . . . 5340 1 484 . 1 1 116 116 ARG N N 15 115.38 . . . . . . . . . . . 5340 1 485 . 1 1 117 117 ASN H H 1 7.30 . . . . . . . . . . . 5340 1 486 . 1 1 117 117 ASN C C 13 176.27 . . . . . . . . . . . 5340 1 487 . 1 1 117 117 ASN CA C 13 53.85 . . . . . . . . . . . 5340 1 488 . 1 1 117 117 ASN CB C 13 38.56 . . . . . . . . . . . 5340 1 489 . 1 1 117 117 ASN N N 15 116.61 . . . . . . . . . . . 5340 1 490 . 1 1 118 118 THR H H 1 8.31 . . . . . . . . . . . 5340 1 491 . 1 1 118 118 THR C C 13 177.39 . . . . . . . . . . . 5340 1 492 . 1 1 118 118 THR CA C 13 64.05 . . . . . . . . . . . 5340 1 493 . 1 1 118 118 THR CB C 13 69.73 . . . . . . . . . . . 5340 1 494 . 1 1 118 118 THR N N 15 117.27 . . . . . . . . . . . 5340 1 495 . 1 1 119 119 SER H H 1 8.29 . . . . . . . . . . . 5340 1 496 . 1 1 119 119 SER C C 13 173.90 . . . . . . . . . . . 5340 1 497 . 1 1 119 119 SER CA C 13 59.65 . . . . . . . . . . . 5340 1 498 . 1 1 119 119 SER CB C 13 64.31 . . . . . . . . . . . 5340 1 499 . 1 1 119 119 SER N N 15 116.43 . . . . . . . . . . . 5340 1 500 . 1 1 120 120 ARG H H 1 7.42 . . . . . . . . . . . 5340 1 501 . 1 1 120 120 ARG C C 13 175.65 . . . . . . . . . . . 5340 1 502 . 1 1 120 120 ARG CA C 13 56.31 . . . . . . . . . . . 5340 1 503 . 1 1 120 120 ARG CB C 13 31.14 . . . . . . . . . . . 5340 1 504 . 1 1 120 120 ARG N N 15 122.59 . . . . . . . . . . . 5340 1 505 . 1 1 121 121 SER H H 1 9.25 . . . . . . . . . . . 5340 1 506 . 1 1 121 121 SER C C 13 174.47 . . . . . . . . . . . 5340 1 507 . 1 1 121 121 SER CA C 13 58.21 . . . . . . . . . . . 5340 1 508 . 1 1 121 121 SER CB C 13 66.62 . . . . . . . . . . . 5340 1 509 . 1 1 121 121 SER N N 15 120.68 . . . . . . . . . . . 5340 1 510 . 1 1 122 122 GLU H H 1 8.94 . . . . . . . . . . . 5340 1 511 . 1 1 122 122 GLU C C 13 178.43 . . . . . . . . . . . 5340 1 512 . 1 1 122 122 GLU CA C 13 60.60 . . . . . . . . . . . 5340 1 513 . 1 1 122 122 GLU CB C 13 29.62 . . . . . . . . . . . 5340 1 514 . 1 1 122 122 GLU N N 15 121.36 . . . . . . . . . . . 5340 1 515 . 1 1 123 123 GLU H H 1 8.50 . . . . . . . . . . . 5340 1 516 . 1 1 123 123 GLU C C 13 178.98 . . . . . . . . . . . 5340 1 517 . 1 1 123 123 GLU CA C 13 60.26 . . . . . . . . . . . 5340 1 518 . 1 1 123 123 GLU CB C 13 29.54 . . . . . . . . . . . 5340 1 519 . 1 1 123 123 GLU N N 15 118.30 . . . . . . . . . . . 5340 1 520 . 1 1 124 124 ASP H H 1 7.85 . . . . . . . . . . . 5340 1 521 . 1 1 124 124 ASP C C 13 177.55 . . . . . . . . . . . 5340 1 522 . 1 1 124 124 ASP CA C 13 58.29 . . . . . . . . . . . 5340 1 523 . 1 1 124 124 ASP CB C 13 40.47 . . . . . . . . . . . 5340 1 524 . 1 1 124 124 ASP N N 15 121.19 . . . . . . . . . . . 5340 1 525 . 1 1 125 125 ARG H H 1 8.16 . . . . . . . . . . . 5340 1 526 . 1 1 125 125 ARG C C 13 178.61 . . . . . . . . . . . 5340 1 527 . 1 1 125 125 ARG CA C 13 60.26 . . . . . . . . . . . 5340 1 528 . 1 1 125 125 ARG CB C 13 41.58 . . . . . . . . . . . 5340 1 529 . 1 1 125 125 ARG N N 15 119.10 . . . . . . . . . . . 5340 1 530 . 1 1 126 126 ASN H H 1 8.23 . . . . . . . . . . . 5340 1 531 . 1 1 126 126 ASN C C 13 177.58 . . . . . . . . . . . 5340 1 532 . 1 1 126 126 ASN CA C 13 57.22 . . . . . . . . . . . 5340 1 533 . 1 1 126 126 ASN CB C 13 38.95 . . . . . . . . . . . 5340 1 534 . 1 1 126 126 ASN N N 15 117.18 . . . . . . . . . . . 5340 1 535 . 1 1 127 127 ARG H H 1 7.87 . . . . . . . . . . . 5340 1 536 . 1 1 127 127 ARG C C 13 178.91 . . . . . . . . . . . 5340 1 537 . 1 1 127 127 ARG CA C 13 59.84 . . . . . . . . . . . 5340 1 538 . 1 1 127 127 ARG CB C 13 29.94 . . . . . . . . . . . 5340 1 539 . 1 1 127 127 ARG N N 15 120.78 . . . . . . . . . . . 5340 1 540 . 1 1 128 128 ASP H H 1 8.61 . . . . . . . . . . . 5340 1 541 . 1 1 128 128 ASP C C 13 179.21 . . . . . . . . . . . 5340 1 542 . 1 1 128 128 ASP CA C 13 58.48 . . . . . . . . . . . 5340 1 543 . 1 1 128 128 ASP CB C 13 40.15 . . . . . . . . . . . 5340 1 544 . 1 1 128 128 ASP N N 15 122.56 . . . . . . . . . . . 5340 1 545 . 1 1 129 129 LEU H H 1 7.84 . . . . . . . . . . . 5340 1 546 . 1 1 129 129 LEU C C 13 177.36 . . . . . . . . . . . 5340 1 547 . 1 1 129 129 LEU CA C 13 58.89 . . . . . . . . . . . 5340 1 548 . 1 1 129 129 LEU CB C 13 41.90 . . . . . . . . . . . 5340 1 549 . 1 1 129 129 LEU N N 15 121.67 . . . . . . . . . . . 5340 1 550 . 1 1 130 130 ALA H H 1 8.29 . . . . . . . . . . . 5340 1 551 . 1 1 130 130 ALA C C 13 180.26 . . . . . . . . . . . 5340 1 552 . 1 1 130 130 ALA CA C 13 56.39 . . . . . . . . . . . 5340 1 553 . 1 1 130 130 ALA CB C 13 18.78 . . . . . . . . . . . 5340 1 554 . 1 1 130 130 ALA N N 15 120.35 . . . . . . . . . . . 5340 1 555 . 1 1 131 131 THR H H 1 8.61 . . . . . . . . . . . 5340 1 556 . 1 1 131 131 THR C C 13 176.17 . . . . . . . . . . . 5340 1 557 . 1 1 131 131 THR CA C 13 66.74 . . . . . . . . . . . 5340 1 558 . 1 1 131 131 THR CB C 13 69.73 . . . . . . . . . . . 5340 1 559 . 1 1 131 131 THR N N 15 114.61 . . . . . . . . . . . 5340 1 560 . 1 1 132 132 ALA H H 1 7.48 . . . . . . . . . . . 5340 1 561 . 1 1 132 132 ALA C C 13 179.03 . . . . . . . . . . . 5340 1 562 . 1 1 132 132 ALA CA C 13 55.97 . . . . . . . . . . . 5340 1 563 . 1 1 132 132 ALA CB C 13 18.54 . . . . . . . . . . . 5340 1 564 . 1 1 132 132 ALA N N 15 124.74 . . . . . . . . . . . 5340 1 565 . 1 1 133 133 LEU H H 1 8.19 . . . . . . . . . . . 5340 1 566 . 1 1 133 133 LEU C C 13 178.54 . . . . . . . . . . . 5340 1 567 . 1 1 133 133 LEU CA C 13 58.74 . . . . . . . . . . . 5340 1 568 . 1 1 133 133 LEU CB C 13 41.58 . . . . . . . . . . . 5340 1 569 . 1 1 133 133 LEU N N 15 117.20 . . . . . . . . . . . 5340 1 570 . 1 1 134 134 GLU H H 1 8.24 . . . . . . . . . . . 5340 1 571 . 1 1 134 134 GLU C C 13 179.10 . . . . . . . . . . . 5340 1 572 . 1 1 134 134 GLU CA C 13 60.26 . . . . . . . . . . . 5340 1 573 . 1 1 134 134 GLU CB C 13 29.62 . . . . . . . . . . . 5340 1 574 . 1 1 134 134 GLU N N 15 118.72 . . . . . . . . . . . 5340 1 575 . 1 1 135 135 GLN H H 1 7.62 . . . . . . . . . . . 5340 1 576 . 1 1 135 135 GLN C C 13 179.22 . . . . . . . . . . . 5340 1 577 . 1 1 135 135 GLN CA C 13 59.35 . . . . . . . . . . . 5340 1 578 . 1 1 135 135 GLN CB C 13 28.51 . . . . . . . . . . . 5340 1 579 . 1 1 135 135 GLN N N 15 117.09 . . . . . . . . . . . 5340 1 580 . 1 1 136 136 LEU H H 1 7.95 . . . . . . . . . . . 5340 1 581 . 1 1 136 136 LEU C C 13 179.05 . . . . . . . . . . . 5340 1 582 . 1 1 136 136 LEU CA C 13 57.98 . . . . . . . . . . . 5340 1 583 . 1 1 136 136 LEU CB C 13 42.70 . . . . . . . . . . . 5340 1 584 . 1 1 136 136 LEU N N 15 119.91 . . . . . . . . . . . 5340 1 585 . 1 1 137 137 LEU H H 1 8.45 . . . . . . . . . . . 5340 1 586 . 1 1 137 137 LEU C C 13 178.82 . . . . . . . . . . . 5340 1 587 . 1 1 137 137 LEU CA C 13 58.02 . . . . . . . . . . . 5340 1 588 . 1 1 137 137 LEU CB C 13 41.90 . . . . . . . . . . . 5340 1 589 . 1 1 137 137 LEU N N 15 118.31 . . . . . . . . . . . 5340 1 590 . 1 1 138 138 GLN H H 1 7.49 . . . . . . . . . . . 5340 1 591 . 1 1 138 138 GLN C C 13 176.29 . . . . . . . . . . . 5340 1 592 . 1 1 138 138 GLN CA C 13 58.29 . . . . . . . . . . . 5340 1 593 . 1 1 138 138 GLN CB C 13 28.67 . . . . . . . . . . . 5340 1 594 . 1 1 138 138 GLN N N 15 115.57 . . . . . . . . . . . 5340 1 595 . 1 1 139 139 ALA H H 1 7.46 . . . . . . . . . . . 5340 1 596 . 1 1 139 139 ALA C C 13 176.54 . . . . . . . . . . . 5340 1 597 . 1 1 139 139 ALA CA C 13 53.28 . . . . . . . . . . . 5340 1 598 . 1 1 139 139 ALA CB C 13 19.34 . . . . . . . . . . . 5340 1 599 . 1 1 139 139 ALA N N 15 119.09 . . . . . . . . . . . 5340 1 600 . 1 1 140 140 TYR H H 1 7.49 . . . . . . . . . . . 5340 1 601 . 1 1 140 140 TYR C C 13 173.30 . . . . . . . . . . . 5340 1 602 . 1 1 140 140 TYR CA C 13 57.49 . . . . . . . . . . . 5340 1 603 . 1 1 140 140 TYR CB C 13 39.43 . . . . . . . . . . . 5340 1 604 . 1 1 140 140 TYR N N 15 118.81 . . . . . . . . . . . 5340 1 605 . 1 1 141 141 PRO C C 13 177.14 . . . . . . . . . . . 5340 1 606 . 1 1 141 141 PRO CA C 13 63.82 . . . . . . . . . . . 5340 1 607 . 1 1 141 141 PRO CB C 13 32.41 . . . . . . . . . . . 5340 1 608 . 1 1 142 142 ARG H H 1 8.48 . . . . . . . . . . . 5340 1 609 . 1 1 142 142 ARG C C 13 176.04 . . . . . . . . . . . 5340 1 610 . 1 1 142 142 ARG CA C 13 57.10 . . . . . . . . . . . 5340 1 611 . 1 1 142 142 ARG CB C 13 30.18 . . . . . . . . . . . 5340 1 612 . 1 1 142 142 ARG N N 15 120.79 . . . . . . . . . . . 5340 1 613 . 1 1 143 143 ASP H H 1 8.14 . . . . . . . . . . . 5340 1 614 . 1 1 143 143 ASP C C 13 175.78 . . . . . . . . . . . 5340 1 615 . 1 1 143 143 ASP CA C 13 55.10 . . . . . . . . . . . 5340 1 616 . 1 1 143 143 ASP CB C 13 41.19 . . . . . . . . . . . 5340 1 617 . 1 1 143 143 ASP N N 15 118.88 . . . . . . . . . . . 5340 1 618 . 1 1 144 144 MET H H 1 7.75 . . . . . . . . . . . 5340 1 619 . 1 1 144 144 MET C C 13 175.30 . . . . . . . . . . . 5340 1 620 . 1 1 144 144 MET CA C 13 56.18 . . . . . . . . . . . 5340 1 621 . 1 1 144 144 MET CB C 13 34.25 . . . . . . . . . . . 5340 1 622 . 1 1 144 144 MET N N 15 118.38 . . . . . . . . . . . 5340 1 623 . 1 1 145 145 GLU H H 1 8.74 . . . . . . . . . . . 5340 1 624 . 1 1 145 145 GLU C C 13 177.10 . . . . . . . . . . . 5340 1 625 . 1 1 145 145 GLU CA C 13 57.12 . . . . . . . . . . . 5340 1 626 . 1 1 145 145 GLU CB C 13 29.38 . . . . . . . . . . . 5340 1 627 . 1 1 145 145 GLU N N 15 121.75 . . . . . . . . . . . 5340 1 628 . 1 1 146 146 LYS H H 1 8.49 . . . . . . . . . . . 5340 1 629 . 1 1 146 146 LYS C C 13 177.55 . . . . . . . . . . . 5340 1 630 . 1 1 146 146 LYS CA C 13 60.94 . . . . . . . . . . . 5340 1 631 . 1 1 146 146 LYS CB C 13 32.89 . . . . . . . . . . . 5340 1 632 . 1 1 146 146 LYS N N 15 125.22 . . . . . . . . . . . 5340 1 633 . 1 1 147 147 GLU H H 1 8.72 . . . . . . . . . . . 5340 1 634 . 1 1 147 147 GLU C C 13 176.70 . . . . . . . . . . . 5340 1 635 . 1 1 147 147 GLU CA C 13 61.70 . . . . . . . . . . . 5340 1 636 . 1 1 147 147 GLU CB C 13 28.19 . . . . . . . . . . . 5340 1 637 . 1 1 147 147 GLU N N 15 118.05 . . . . . . . . . . . 5340 1 638 . 1 1 148 148 LYS H H 1 7.29 . . . . . . . . . . . 5340 1 639 . 1 1 148 148 LYS C C 13 177.71 . . . . . . . . . . . 5340 1 640 . 1 1 148 148 LYS CA C 13 60.64 . . . . . . . . . . . 5340 1 641 . 1 1 148 148 LYS CB C 13 32.97 . . . . . . . . . . . 5340 1 642 . 1 1 148 148 LYS N N 15 117.93 . . . . . . . . . . . 5340 1 643 . 1 1 149 149 THR H H 1 7.77 . . . . . . . . . . . 5340 1 644 . 1 1 149 149 THR C C 13 175.14 . . . . . . . . . . . 5340 1 645 . 1 1 149 149 THR CA C 13 67.46 . . . . . . . . . . . 5340 1 646 . 1 1 149 149 THR CB C 13 68.94 . . . . . . . . . . . 5340 1 647 . 1 1 149 149 THR N N 15 113.84 . . . . . . . . . . . 5340 1 648 . 1 1 150 150 MET H H 1 8.36 . . . . . . . . . . . 5340 1 649 . 1 1 150 150 MET C C 13 176.38 . . . . . . . . . . . 5340 1 650 . 1 1 150 150 MET CA C 13 60.52 . . . . . . . . . . . 5340 1 651 . 1 1 150 150 MET CB C 13 34.41 . . . . . . . . . . . 5340 1 652 . 1 1 150 150 MET N N 15 118.92 . . . . . . . . . . . 5340 1 653 . 1 1 151 151 LEU H H 1 8.11 . . . . . . . . . . . 5340 1 654 . 1 1 151 151 LEU C C 13 177.05 . . . . . . . . . . . 5340 1 655 . 1 1 151 151 LEU CA C 13 58.85 . . . . . . . . . . . 5340 1 656 . 1 1 151 151 LEU CB C 13 41.82 . . . . . . . . . . . 5340 1 657 . 1 1 151 151 LEU N N 15 117.52 . . . . . . . . . . . 5340 1 658 . 1 1 152 152 VAL H H 1 8.27 . . . . . . . . . . . 5340 1 659 . 1 1 152 152 VAL CB C 13 31.70 . . . . . . . . . . . 5340 1 660 . 1 1 152 152 VAL N N 15 115.98 . . . . . . . . . . . 5340 1 661 . 1 1 153 153 LEU H H 1 8.34 . . . . . . . . . . . 5340 1 662 . 1 1 153 153 LEU C C 13 177.87 . . . . . . . . . . . 5340 1 663 . 1 1 153 153 LEU CA C 13 58.78 . . . . . . . . . . . 5340 1 664 . 1 1 153 153 LEU CB C 13 42.22 . . . . . . . . . . . 5340 1 665 . 1 1 153 153 LEU N N 15 117.72 . . . . . . . . . . . 5340 1 666 . 1 1 154 154 ALA H H 1 8.12 . . . . . . . . . . . 5340 1 667 . 1 1 154 154 ALA C C 13 178.93 . . . . . . . . . . . 5340 1 668 . 1 1 154 154 ALA CA C 13 56.28 . . . . . . . . . . . 5340 1 669 . 1 1 154 154 ALA CB C 13 17.26 . . . . . . . . . . . 5340 1 670 . 1 1 154 154 ALA N N 15 120.60 . . . . . . . . . . . 5340 1 671 . 1 1 155 155 LEU H H 1 7.56 . . . . . . . . . . . 5340 1 672 . 1 1 155 155 LEU C C 13 177.72 . . . . . . . . . . . 5340 1 673 . 1 1 155 155 LEU CA C 13 58.17 . . . . . . . . . . . 5340 1 674 . 1 1 155 155 LEU CB C 13 37.92 . . . . . . . . . . . 5340 1 675 . 1 1 155 155 LEU N N 15 117.11 . . . . . . . . . . . 5340 1 676 . 1 1 156 156 LEU H H 1 8.69 . . . . . . . . . . . 5340 1 677 . 1 1 156 156 LEU C C 13 179.19 . . . . . . . . . . . 5340 1 678 . 1 1 156 156 LEU CA C 13 58.17 . . . . . . . . . . . 5340 1 679 . 1 1 156 156 LEU CB C 13 43.58 . . . . . . . . . . . 5340 1 680 . 1 1 156 156 LEU N N 15 118.82 . . . . . . . . . . . 5340 1 681 . 1 1 157 157 LEU H H 1 8.60 . . . . . . . . . . . 5340 1 682 . 1 1 157 157 LEU C C 13 178.01 . . . . . . . . . . . 5340 1 683 . 1 1 157 157 LEU CA C 13 58.78 . . . . . . . . . . . 5340 1 684 . 1 1 157 157 LEU CB C 13 41.19 . . . . . . . . . . . 5340 1 685 . 1 1 157 157 LEU N N 15 119.38 . . . . . . . . . . . 5340 1 686 . 1 1 158 158 ALA H H 1 7.51 . . . . . . . . . . . 5340 1 687 . 1 1 158 158 ALA C C 13 178.27 . . . . . . . . . . . 5340 1 688 . 1 1 158 158 ALA CA C 13 55.93 . . . . . . . . . . . 5340 1 689 . 1 1 158 158 ALA CB C 13 17.02 . . . . . . . . . . . 5340 1 690 . 1 1 158 158 ALA N N 15 120.88 . . . . . . . . . . . 5340 1 691 . 1 1 159 159 LYS H H 1 7.77 . . . . . . . . . . . 5340 1 692 . 1 1 159 159 LYS C C 13 178.18 . . . . . . . . . . . 5340 1 693 . 1 1 159 159 LYS CA C 13 60.22 . . . . . . . . . . . 5340 1 694 . 1 1 159 159 LYS CB C 13 32.81 . . . . . . . . . . . 5340 1 695 . 1 1 159 159 LYS N N 15 116.30 . . . . . . . . . . . 5340 1 696 . 1 1 160 160 LYS H H 1 8.91 . . . . . . . . . . . 5340 1 697 . 1 1 160 160 LYS C C 13 179.88 . . . . . . . . . . . 5340 1 698 . 1 1 160 160 LYS CA C 13 59.61 . . . . . . . . . . . 5340 1 699 . 1 1 160 160 LYS CB C 13 32.33 . . . . . . . . . . . 5340 1 700 . 1 1 160 160 LYS N N 15 117.20 . . . . . . . . . . . 5340 1 701 . 1 1 161 161 VAL H H 1 8.76 . . . . . . . . . . . 5340 1 702 . 1 1 161 161 VAL C C 13 176.06 . . . . . . . . . . . 5340 1 703 . 1 1 161 161 VAL CA C 13 67.20 . . . . . . . . . . . 5340 1 704 . 1 1 161 161 VAL CB C 13 31.46 . . . . . . . . . . . 5340 1 705 . 1 1 161 161 VAL N N 15 121.21 . . . . . . . . . . . 5340 1 706 . 1 1 162 162 ALA H H 1 7.88 . . . . . . . . . . . 5340 1 707 . 1 1 162 162 ALA C C 13 176.80 . . . . . . . . . . . 5340 1 708 . 1 1 162 162 ALA CA C 13 55.02 . . . . . . . . . . . 5340 1 709 . 1 1 162 162 ALA CB C 13 17.58 . . . . . . . . . . . 5340 1 710 . 1 1 162 162 ALA N N 15 120.46 . . . . . . . . . . . 5340 1 711 . 1 1 163 163 SER H H 1 7.89 . . . . . . . . . . . 5340 1 712 . 1 1 163 163 SER C C 13 175.62 . . . . . . . . . . . 5340 1 713 . 1 1 163 163 SER CA C 13 61.78 . . . . . . . . . . . 5340 1 714 . 1 1 163 163 SER CB C 13 64.55 . . . . . . . . . . . 5340 1 715 . 1 1 163 163 SER N N 15 107.57 . . . . . . . . . . . 5340 1 716 . 1 1 164 164 HIS H H 1 7.59 . . . . . . . . . . . 5340 1 717 . 1 1 164 164 HIS C C 13 177.14 . . . . . . . . . . . 5340 1 718 . 1 1 164 164 HIS CA C 13 60.52 . . . . . . . . . . . 5340 1 719 . 1 1 164 164 HIS CB C 13 31.46 . . . . . . . . . . . 5340 1 720 . 1 1 164 164 HIS N N 15 121.43 . . . . . . . . . . . 5340 1 721 . 1 1 165 165 THR H H 1 8.41 . . . . . . . . . . . 5340 1 722 . 1 1 165 165 THR C C 13 171.42 . . . . . . . . . . . 5340 1 723 . 1 1 165 165 THR CB C 13 72.68 . . . . . . . . . . . 5340 1 724 . 1 1 165 165 THR N N 15 113.21 . . . . . . . . . . . 5340 1 725 . 1 1 166 166 PRO C C 13 178.17 . . . . . . . . . . . 5340 1 726 . 1 1 166 166 PRO CA C 13 66.29 . . . . . . . . . . . 5340 1 727 . 1 1 166 166 PRO CB C 13 32.49 . . . . . . . . . . . 5340 1 728 . 1 1 167 167 SER H H 1 8.15 . . . . . . . . . . . 5340 1 729 . 1 1 167 167 SER C C 13 176.26 . . . . . . . . . . . 5340 1 730 . 1 1 167 167 SER CA C 13 61.17 . . . . . . . . . . . 5340 1 731 . 1 1 167 167 SER CB C 13 63.12 . . . . . . . . . . . 5340 1 732 . 1 1 167 167 SER N N 15 109.11 . . . . . . . . . . . 5340 1 733 . 1 1 168 168 LEU H H 1 8.48 . . . . . . . . . . . 5340 1 734 . 1 1 168 168 LEU C C 13 176.83 . . . . . . . . . . . 5340 1 735 . 1 1 168 168 LEU CA C 13 55.45 . . . . . . . . . . . 5340 1 736 . 1 1 168 168 LEU CB C 13 42.78 . . . . . . . . . . . 5340 1 737 . 1 1 168 168 LEU N N 15 121.54 . . . . . . . . . . . 5340 1 738 . 1 1 169 169 LEU H H 1 7.98 . . . . . . . . . . . 5340 1 739 . 1 1 169 169 LEU C C 13 177.28 . . . . . . . . . . . 5340 1 740 . 1 1 169 169 LEU CA C 13 59.84 . . . . . . . . . . . 5340 1 741 . 1 1 169 169 LEU CB C 13 40.31 . . . . . . . . . . . 5340 1 742 . 1 1 169 169 LEU N N 15 120.62 . . . . . . . . . . . 5340 1 743 . 1 1 170 170 ARG H H 1 8.82 . . . . . . . . . . . 5340 1 744 . 1 1 170 170 ARG C C 13 177.42 . . . . . . . . . . . 5340 1 745 . 1 1 170 170 ARG CA C 13 61.57 . . . . . . . . . . . 5340 1 746 . 1 1 170 170 ARG CB C 13 29.46 . . . . . . . . . . . 5340 1 747 . 1 1 170 170 ARG N N 15 117.43 . . . . . . . . . . . 5340 1 748 . 1 1 171 171 ASP H H 1 8.06 . . . . . . . . . . . 5340 1 749 . 1 1 171 171 ASP C C 13 179.65 . . . . . . . . . . . 5340 1 750 . 1 1 171 171 ASP CA C 13 58.25 . . . . . . . . . . . 5340 1 751 . 1 1 171 171 ASP CB C 13 41.42 . . . . . . . . . . . 5340 1 752 . 1 1 171 171 ASP N N 15 117.95 . . . . . . . . . . . 5340 1 753 . 1 1 172 172 VAL H H 1 9.06 . . . . . . . . . . . 5340 1 754 . 1 1 172 172 VAL C C 13 177.79 . . . . . . . . . . . 5340 1 755 . 1 1 172 172 VAL CA C 13 65.79 . . . . . . . . . . . 5340 1 756 . 1 1 172 172 VAL CB C 13 31.86 . . . . . . . . . . . 5340 1 757 . 1 1 172 172 VAL N N 15 120.71 . . . . . . . . . . . 5340 1 758 . 1 1 173 173 PHE H H 1 9.33 . . . . . . . . . . . 5340 1 759 . 1 1 173 173 PHE C C 13 175.90 . . . . . . . . . . . 5340 1 760 . 1 1 173 173 PHE CA C 13 63.45 . . . . . . . . . . . 5340 1 761 . 1 1 173 173 PHE CB C 13 40.15 . . . . . . . . . . . 5340 1 762 . 1 1 173 173 PHE N N 15 127.31 . . . . . . . . . . . 5340 1 763 . 1 1 174 174 HIS H H 1 8.29 . . . . . . . . . . . 5340 1 764 . 1 1 174 174 HIS C C 13 177.76 . . . . . . . . . . . 5340 1 765 . 1 1 174 174 HIS CA C 13 60.41 . . . . . . . . . . . 5340 1 766 . 1 1 174 174 HIS CB C 13 29.86 . . . . . . . . . . . 5340 1 767 . 1 1 174 174 HIS N N 15 116.35 . . . . . . . . . . . 5340 1 768 . 1 1 175 175 THR H H 1 8.25 . . . . . . . . . . . 5340 1 769 . 1 1 175 175 THR C C 13 175.94 . . . . . . . . . . . 5340 1 770 . 1 1 175 175 THR CA C 13 67.16 . . . . . . . . . . . 5340 1 771 . 1 1 175 175 THR CB C 13 69.65 . . . . . . . . . . . 5340 1 772 . 1 1 175 175 THR N N 15 114.84 . . . . . . . . . . . 5340 1 773 . 1 1 176 176 THR H H 1 8.22 . . . . . . . . . . . 5340 1 774 . 1 1 176 176 THR C C 13 176.33 . . . . . . . . . . . 5340 1 775 . 1 1 176 176 THR CB C 13 68.22 . . . . . . . . . . . 5340 1 776 . 1 1 176 176 THR N N 15 120.68 . . . . . . . . . . . 5340 1 777 . 1 1 177 177 VAL H H 1 8.19 . . . . . . . . . . . 5340 1 778 . 1 1 177 177 VAL C C 13 177.34 . . . . . . . . . . . 5340 1 779 . 1 1 177 177 VAL CA C 13 67.08 . . . . . . . . . . . 5340 1 780 . 1 1 177 177 VAL CB C 13 31.94 . . . . . . . . . . . 5340 1 781 . 1 1 177 177 VAL N N 15 121.70 . . . . . . . . . . . 5340 1 782 . 1 1 178 178 ASN H H 1 7.98 . . . . . . . . . . . 5340 1 783 . 1 1 178 178 ASN C C 13 176.98 . . . . . . . . . . . 5340 1 784 . 1 1 178 178 ASN CA C 13 57.15 . . . . . . . . . . . 5340 1 785 . 1 1 178 178 ASN CB C 13 38.40 . . . . . . . . . . . 5340 1 786 . 1 1 178 178 ASN N N 15 116.71 . . . . . . . . . . . 5340 1 787 . 1 1 179 179 PHE H H 1 8.34 . . . . . . . . . . . 5340 1 788 . 1 1 179 179 PHE C C 13 178.54 . . . . . . . . . . . 5340 1 789 . 1 1 179 179 PHE CA C 13 63.10 . . . . . . . . . . . 5340 1 790 . 1 1 179 179 PHE CB C 13 40.23 . . . . . . . . . . . 5340 1 791 . 1 1 179 179 PHE N N 15 120.37 . . . . . . . . . . . 5340 1 792 . 1 1 180 180 ILE H H 1 8.54 . . . . . . . . . . . 5340 1 793 . 1 1 180 180 ILE C C 13 177.51 . . . . . . . . . . . 5340 1 794 . 1 1 180 180 ILE CA C 13 66.21 . . . . . . . . . . . 5340 1 795 . 1 1 180 180 ILE CB C 13 37.92 . . . . . . . . . . . 5340 1 796 . 1 1 180 180 ILE N N 15 121.25 . . . . . . . . . . . 5340 1 797 . 1 1 181 181 ASN H H 1 8.68 . . . . . . . . . . . 5340 1 798 . 1 1 181 181 ASN C C 13 176.70 . . . . . . . . . . . 5340 1 799 . 1 1 181 181 ASN CA C 13 56.47 . . . . . . . . . . . 5340 1 800 . 1 1 181 181 ASN CB C 13 38.63 . . . . . . . . . . . 5340 1 801 . 1 1 181 181 ASN N N 15 117.94 . . . . . . . . . . . 5340 1 802 . 1 1 182 182 GLN H H 1 7.87 . . . . . . . . . . . 5340 1 803 . 1 1 182 182 GLN C C 13 177.19 . . . . . . . . . . . 5340 1 804 . 1 1 182 182 GLN CA C 13 58.29 . . . . . . . . . . . 5340 1 805 . 1 1 182 182 GLN CB C 13 29.78 . . . . . . . . . . . 5340 1 806 . 1 1 182 182 GLN N N 15 114.40 . . . . . . . . . . . 5340 1 807 . 1 1 183 183 ASN H H 1 7.54 . . . . . . . . . . . 5340 1 808 . 1 1 183 183 ASN C C 13 175.07 . . . . . . . . . . . 5340 1 809 . 1 1 183 183 ASN CA C 13 55.86 . . . . . . . . . . . 5340 1 810 . 1 1 183 183 ASN CB C 13 42.38 . . . . . . . . . . . 5340 1 811 . 1 1 183 183 ASN N N 15 112.97 . . . . . . . . . . . 5340 1 812 . 1 1 184 184 LEU H H 1 8.67 . . . . . . . . . . . 5340 1 813 . 1 1 184 184 LEU C C 13 175.99 . . . . . . . . . . . 5340 1 814 . 1 1 184 184 LEU CA C 13 54.53 . . . . . . . . . . . 5340 1 815 . 1 1 184 184 LEU CB C 13 45.17 . . . . . . . . . . . 5340 1 816 . 1 1 184 184 LEU N N 15 120.26 . . . . . . . . . . . 5340 1 817 . 1 1 185 185 ARG H H 1 7.37 . . . . . . . . . . . 5340 1 818 . 1 1 185 185 ARG C C 13 178.24 . . . . . . . . . . . 5340 1 819 . 1 1 185 185 ARG CA C 13 61.09 . . . . . . . . . . . 5340 1 820 . 1 1 185 185 ARG CB C 13 30.74 . . . . . . . . . . . 5340 1 821 . 1 1 185 185 ARG N N 15 121.62 . . . . . . . . . . . 5340 1 822 . 1 1 186 186 THR H H 1 8.38 . . . . . . . . . . . 5340 1 823 . 1 1 186 186 THR C C 13 176.33 . . . . . . . . . . . 5340 1 824 . 1 1 186 186 THR CA C 13 66.51 . . . . . . . . . . . 5340 1 825 . 1 1 186 186 THR CB C 13 68.78 . . . . . . . . . . . 5340 1 826 . 1 1 186 186 THR N N 15 112.29 . . . . . . . . . . . 5340 1 827 . 1 1 187 187 TYR H H 1 7.98 . . . . . . . . . . . 5340 1 828 . 1 1 187 187 TYR C C 13 177.87 . . . . . . . . . . . 5340 1 829 . 1 1 187 187 TYR CA C 13 61.81 . . . . . . . . . . . 5340 1 830 . 1 1 187 187 TYR CB C 13 38.95 . . . . . . . . . . . 5340 1 831 . 1 1 187 187 TYR N N 15 124.26 . . . . . . . . . . . 5340 1 832 . 1 1 188 188 VAL H H 1 8.53 . . . . . . . . . . . 5340 1 833 . 1 1 188 188 VAL C C 13 177.26 . . . . . . . . . . . 5340 1 834 . 1 1 188 188 VAL CA C 13 67.39 . . . . . . . . . . . 5340 1 835 . 1 1 188 188 VAL CB C 13 31.38 . . . . . . . . . . . 5340 1 836 . 1 1 188 188 VAL N N 15 118.64 . . . . . . . . . . . 5340 1 837 . 1 1 189 189 ARG H H 1 7.96 . . . . . . . . . . . 5340 1 838 . 1 1 189 189 ARG C C 13 178.75 . . . . . . . . . . . 5340 1 839 . 1 1 189 189 ARG CA C 13 60.22 . . . . . . . . . . . 5340 1 840 . 1 1 189 189 ARG CB C 13 30.26 . . . . . . . . . . . 5340 1 841 . 1 1 189 189 ARG N N 15 118.13 . . . . . . . . . . . 5340 1 842 . 1 1 190 190 SER H H 1 7.63 . . . . . . . . . . . 5340 1 843 . 1 1 190 190 SER C C 13 176.24 . . . . . . . . . . . 5340 1 844 . 1 1 190 190 SER CA C 13 61.85 . . . . . . . . . . . 5340 1 845 . 1 1 190 190 SER CB C 13 63.75 . . . . . . . . . . . 5340 1 846 . 1 1 190 190 SER N N 15 114.36 . . . . . . . . . . . 5340 1 847 . 1 1 191 191 LEU H H 1 7.85 . . . . . . . . . . . 5340 1 848 . 1 1 191 191 LEU C C 13 178.26 . . . . . . . . . . . 5340 1 849 . 1 1 191 191 LEU CA C 13 57.91 . . . . . . . . . . . 5340 1 850 . 1 1 191 191 LEU CB C 13 42.06 . . . . . . . . . . . 5340 1 851 . 1 1 191 191 LEU N N 15 122.95 . . . . . . . . . . . 5340 1 852 . 1 1 192 192 ALA H H 1 7.75 . . . . . . . . . . . 5340 1 853 . 1 1 192 192 ALA C C 13 177.00 . . . . . . . . . . . 5340 1 854 . 1 1 192 192 ALA CA C 13 54.46 . . . . . . . . . . . 5340 1 855 . 1 1 192 192 ALA CB C 13 18.70 . . . . . . . . . . . 5340 1 856 . 1 1 192 192 ALA N N 15 117.56 . . . . . . . . . . . 5340 1 857 . 1 1 193 193 ARG H H 1 7.44 . . . . . . . . . . . 5340 1 858 . 1 1 193 193 ARG C C 13 176.80 . . . . . . . . . . . 5340 1 859 . 1 1 193 193 ARG CA C 13 57.64 . . . . . . . . . . . 5340 1 860 . 1 1 193 193 ARG CB C 13 31.14 . . . . . . . . . . . 5340 1 861 . 1 1 193 193 ARG N N 15 114.47 . . . . . . . . . . . 5340 1 862 . 1 1 194 194 ASN H H 1 8.23 . . . . . . . . . . . 5340 1 863 . 1 1 194 194 ASN C C 13 175.88 . . . . . . . . . . . 5340 1 864 . 1 1 194 194 ASN CA C 13 54.72 . . . . . . . . . . . 5340 1 865 . 1 1 194 194 ASN CB C 13 40.39 . . . . . . . . . . . 5340 1 866 . 1 1 194 194 ASN N N 15 115.99 . . . . . . . . . . . 5340 1 867 . 1 1 195 195 GLY H H 1 8.31 . . . . . . . . . . . 5340 1 868 . 1 1 195 195 GLY C C 13 172.64 . . . . . . . . . . . 5340 1 869 . 1 1 195 195 GLY CA C 13 45.89 . . . . . . . . . . . 5340 1 870 . 1 1 195 195 GLY N N 15 108.63 . . . . . . . . . . . 5340 1 871 . 1 1 196 196 MET H H 1 8.14 . . . . . . . . . . . 5340 1 872 . 1 1 196 196 MET C C 13 174.52 . . . . . . . . . . . 5340 1 873 . 1 1 196 196 MET CA C 13 56.01 . . . . . . . . . . . 5340 1 874 . 1 1 196 196 MET CB C 13 34.01 . . . . . . . . . . . 5340 1 875 . 1 1 196 196 MET N N 15 117.95 . . . . . . . . . . . 5340 1 876 . 1 1 197 197 ASP H H 1 7.94 . . . . . . . . . . . 5340 1 877 . 1 1 197 197 ASP C C 13 180.52 . . . . . . . . . . . 5340 1 878 . 1 1 197 197 ASP CA C 13 56.66 . . . . . . . . . . . 5340 1 879 . 1 1 197 197 ASP CB C 13 42.62 . . . . . . . . . . . 5340 1 880 . 1 1 197 197 ASP N N 15 126.78 . . . . . . . . . . . 5340 1 stop_ save_