data_19522 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19522 _Entry.Title ; Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-25 _Entry.Accession_date 2013-09-25 _Entry.Last_release_date 2015-07-24 _Entry.Original_release_date 2015-07-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; Solution structure of the kinetically labile complex between the DNA binding domain of p53 and BCL-xL determined using paramagnetic relaxation enhancement and limited NOE constraints ; _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 Ariele 'Viacava Follis' . . . 19522 2 Christy Grace . R. . 19522 3 Richard Kriwacki . W. . 19522 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19522 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BCL-2 family' . 19522 BCL-xL . 19522 apoptosis . 19522 'cytoplasmic p53' . 19522 p53 . 19522 'selective labeling' . 19522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 646 19522 '15N chemical shifts' 209 19522 '1H chemical shifts' 399 19522 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 . . 2015-07-24 . original BMRB . 19522 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19520 'BCL-xL in its p53-bound conformation' 19522 BMRB 19521 'BCL-xL containing the alpha1-alpha2 disordered loop' 19522 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19522 _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 ; The DNA Binding Domain is a Promiscuous Interaction Hub that Mediates the Nuclear and Cytoplasmic Functions of p53 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _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 Ariele 'Viacava Follis' . . . 19522 1 2 Li Ou . . . 19522 1 3 Fabien Llambi . . . 19522 1 4 Douglas Green . R. . 19522 1 5 Richard Kriwacki . W. . 19522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19522 _Assembly.ID 1 _Assembly.Name 'Complex Between BCL-xL and the p53 Core Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BCL-xL 1 $BCL-xL A . yes native no no . . . 19522 1 2 p53 2 $p53 B . yes native no no . . . 19522 1 3 'ZINC ION' 3 $entity_ZN C . no native no no . . . 19522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BCL-xL _Entity.Sf_category entity _Entity.Sf_framecode BCL-xL _Entity.Entry_ID 19522 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BCL-xL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHSMSQSNRELVVDFLSYKL SQKGYSWSQFSDVEENRTEA PEGTESEMETPSAINGNPSW HLADSPAVNGATGHSSSLDA REVIPMAAVKQALREAGDEF ELRYRRAFSDLTSQLHITPG TAYQSFEQVVNELFRDGVNW GRIVAFFSFGGALCVESVDK EMQVLVSRIAAWMATYLNDH LEPWIQENGGWDTFVELYGN NAAAESRKGQER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The three N terminal residues constitute the leftover portion of a cleaved 6XHis affinity tag. The construct bears a deletion of the C terminal 22 aminoacids for solubility reasons ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16553.609 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB CAA80661 . bcl-xL . . . . . . . . . . . . . . 19522 1 2 no BMRB 19520 . BCL-xL . . . . . 100.00 212 100.00 100.00 1.36e-154 . . . . 19522 1 3 no BMRB 19521 . BCL-xL . . . . . 100.00 212 100.00 100.00 1.36e-154 . . . . 19522 1 4 no PDB 1AF3 . "Rat Bcl-Xl An Apoptosis Inhibitory Protein" . . . . . 92.45 196 97.45 98.47 7.40e-138 . . . . 19522 1 5 no PDB 1BXL . "Structure Of Bcl-XlBAK PEPTIDE COMPLEX, NMR, MINIMIZED Average Structure" . . . . . 99.06 221 99.52 100.00 4.82e-152 . . . . 19522 1 6 no PDB 1LXL . "Nmr Structure Of Bcl-Xl, An Inhibitor Of Programmed Cell Death, Minimized Average Structure" . . . . . 99.06 221 99.52 100.00 4.82e-152 . . . . 19522 1 7 no PDB 1MAZ . "X-Ray Structure Of Bcl-Xl, An Inhibitor Of Programmed Cell D" . . . . . 99.06 221 99.52 100.00 4.82e-152 . . . . 19522 1 8 no PDB 1PQ0 . "Crystal Structure Of Mouse Bcl-Xl" . . . . . 92.45 196 97.45 98.98 2.20e-138 . . . . 19522 1 9 no PDB 1PQ1 . "Crystal Structure Of Bcl-XlBIM" . . . . . 92.45 196 97.45 98.98 2.20e-138 . . . . 19522 1 10 no PDB 1R2D . "Structure Of Human Bcl-Xl At 1.95 Angstroms" . . . . . 98.58 218 100.00 100.00 1.32e-151 . . . . 19522 1 11 no PDB 1R2E . "Human Bcl-Xl Containing A Glu To Leu Mutation At Position 92" . . . . . 98.58 218 99.52 99.52 1.50e-150 . . . . 19522 1 12 no PDB 1R2G . "Human Bcl-Xl Containing A Phe To Trp Mutation At Position 97" . . . . . 98.58 218 99.52 100.00 1.42e-150 . . . . 19522 1 13 no PDB 1R2H . "Human Bcl-Xl Containing An Ala To Leu Mutation At Position 142" . . . . . 98.58 218 99.52 99.52 7.60e-151 . . . . 19522 1 14 no PDB 1R2I . "Human Bcl-Xl Containing A Phe To Leu Mutation At Position 146" . . . . . 98.58 218 99.52 99.52 7.86e-151 . . . . 19522 1 15 no PDB 2B48 . "Bcl-Xl 3d Domain Swapped Dimer" . . . . . 98.58 218 100.00 100.00 1.32e-151 . . . . 19522 1 16 no PDB 2BZW . "The Crystal Structure Of Bcl-xl In Complex With Full-length Bad" . . . . . 98.58 211 97.61 99.04 5.89e-148 . . . . 19522 1 17 no PDB 2ME8 . "Solution Structure Of Bcl-xl In Its P53-bound Conformation Determined With Selective Isotope Labelling Of I,l,v Sidechains" . . . . . 100.00 212 100.00 100.00 1.36e-154 . . . . 19522 1 18 no PDB 2ME9 . "Solution Structure Of Bcl-xl Containing The Alpha1-alpha2 Disordered Loop Determined With Selective Isotope Labelling Of I,l,v " . . . . . 100.00 212 100.00 100.00 1.36e-154 . . . . 19522 1 19 no PDB 2MEJ . "Solution Structure Of The Complex Between Bcl-xl And The P53 Core Domain Determined With Pre Restraints" . . . . . 94.81 201 100.00 100.00 2.61e-146 . . . . 19522 1 20 no PDB 3CVA . "Human Bcl-Xl Containing A Trp To Ala Mutation At Position 137" . . . . . 98.58 219 99.52 99.52 3.23e-150 . . . . 19522 1 21 no PDB 3IHC . "Crystal Structure Of Mouse Bcl-xl (wt) At Ph 5.0" . . . . . 92.45 196 97.45 98.98 2.20e-138 . . . . 19522 1 22 no PDB 3IHD . "Crystal Structure Of Mouse Bcl-xl Mutant (y101a) At Ph 5.0" . . . . . 92.45 197 96.94 98.47 5.93e-137 . . . . 19522 1 23 no PDB 3IHE . "Crystal Structure Of Mouse Bcl-xl Mutant (f105a) At Ph 6.0" . . . . . 92.45 196 96.94 98.47 4.31e-137 . . . . 19522 1 24 no PDB 3IHF . "Crystal Structure Of Mouse Bcl-xl Mutant (r139a) At Ph 5.0" . . . . . 92.45 196 96.94 98.47 2.52e-137 . . . . 19522 1 25 no PDB 3IIG . "Crystal Structure Of Mouse Bcl-xl Mutant (f105a) At Ph 5.0" . . . . . 92.45 196 96.94 98.47 4.31e-137 . . . . 19522 1 26 no PDB 3IIH . "Crystal Structure Of Mouse Bcl-xl (wt) At Ph 6.0" . . . . . 92.45 196 97.45 98.98 2.20e-138 . . . . 19522 1 27 no PDB 3ILB . "Crystal Structure Of Mouse Bcl-xl Mutant (r139a) At Ph 6.0" . . . . . 92.45 196 96.94 98.47 2.52e-137 . . . . 19522 1 28 no PDB 3ILC . "Crystal Structure Of Mouse Bcl-Xl Mutant (Y101a) At Ph 6.0" . . . . . 92.45 197 96.94 98.47 5.93e-137 . . . . 19522 1 29 no PDB 4HNJ . "Crystallographic Structure Of Bcl-xl Domain-swapped Dimer In Complex With Puma Bh3 Peptide At 2.9a Resolution" . . . . . 100.00 212 99.06 99.06 1.79e-152 . . . . 19522 1 30 no DBJ BAB71819 . "Bcl-xL [Canis lupus familiaris]" . . . . . 98.58 233 100.00 100.00 1.39e-151 . . . . 19522 1 31 no DBJ BAB85856 . "bcl-xl [Felis catus]" . . . . . 98.58 233 99.52 100.00 5.77e-151 . . . . 19522 1 32 no DBJ BAE27189 . "unnamed protein product [Mus musculus]" . . . . . 98.58 233 97.61 99.04 1.30e-147 . . . . 19522 1 33 no DBJ BAE42906 . "unnamed protein product [Mus musculus]" . . . . . 98.58 233 97.13 99.04 3.60e-147 . . . . 19522 1 34 no DBJ BAE73044 . "hypothetical protein [Macaca fascicularis]" . . . . . 77.83 189 99.39 99.39 9.81e-117 . . . . 19522 1 35 no EMBL CAA04597 . "unnamed protein product [Sus scrofa]" . . . . . 98.58 233 98.09 99.04 3.52e-149 . . . . 19522 1 36 no EMBL CAA57886 . "bcl-x [Rattus norvegicus]" . . . . . 98.58 233 97.13 98.56 2.18e-146 . . . . 19522 1 37 no EMBL CAA58557 . "bcl-x [Mus musculus]" . . . . . 98.58 233 97.61 99.04 1.30e-147 . . . . 19522 1 38 no EMBL CAA80661 . "bcl-xL [Homo sapiens]" . . . . . 98.58 233 99.52 99.52 7.26e-151 . . . . 19522 1 39 no EMBL CAI56777 . "hypothetical protein [Homo sapiens]" . . . . . 98.58 233 99.52 99.52 5.06e-151 . . . . 19522 1 40 no GB AAA51039 . "Bcl-xL [Mus musculus]" . . . . . 98.58 233 97.61 99.04 1.30e-147 . . . . 19522 1 41 no GB AAA82173 . "bcl-x long [Mus musculus]" . . . . . 98.58 233 97.61 99.04 1.30e-147 . . . . 19522 1 42 no GB AAA82174 . "bcl-x transmembrane deleted [Mus musculus]" . . . . . 91.04 214 97.41 98.96 3.76e-135 . . . . 19522 1 43 no GB AAB17352 . "Bcl-xbeta [Rattus norvegicus]" . . . . . 88.68 232 97.87 98.40 5.75e-131 . . . . 19522 1 44 no GB AAB17353 . "Bcl-xalpha [Rattus norvegicus]" . . . . . 98.58 233 97.61 98.56 5.16e-147 . . . . 19522 1 45 no REF NP_001003072 . "bcl-2-like protein 1 [Canis lupus familiaris]" . . . . . 98.58 233 100.00 100.00 1.39e-151 . . . . 19522 1 46 no REF NP_001009226 . "bcl-2-like protein 1 [Ovis aries]" . . . . . 98.58 233 98.56 99.04 1.87e-149 . . . . 19522 1 47 no REF NP_001009228 . "bcl-2-like protein 1 [Felis catus]" . . . . . 98.58 233 99.52 100.00 5.77e-151 . . . . 19522 1 48 no REF NP_001028842 . "bcl-2-like protein 1 isoform 2 [Rattus norvegicus]" . . . . . 98.58 233 97.61 98.56 5.16e-147 . . . . 19522 1 49 no REF NP_001028844 . "bcl-2-like protein 1 isoform 1 [Rattus norvegicus]" . . . . . 88.68 284 97.87 98.40 3.14e-130 . . . . 19522 1 50 no SP O77737 . "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" . . . . . 98.58 233 98.09 99.04 3.52e-149 . . . . 19522 1 51 no SP P53563 . "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" . . . . . 98.58 233 97.61 98.56 5.16e-147 . . . . 19522 1 52 no SP Q07817 . "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" . . . . . 98.58 233 100.00 100.00 1.39e-151 . . . . 19522 1 53 no SP Q64373 . "RecName: Full=Bcl-2-like protein 1; Short=Bcl2-L-1; AltName: Full=Apoptosis regulator Bcl-X" . . . . . 98.58 233 97.61 99.04 1.30e-147 . . . . 19522 1 54 no TPG DAA23121 . "TPA: BCL2-like 1 [Bos taurus]" . . . . . 98.58 233 97.61 98.09 1.79e-147 . . . . 19522 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 . 19522 1 2 . HIS . 19522 1 3 . SER . 19522 1 4 . MET . 19522 1 5 . SER . 19522 1 6 . GLN . 19522 1 7 . SER . 19522 1 8 . ASN . 19522 1 9 . ARG . 19522 1 10 . GLU . 19522 1 11 . LEU . 19522 1 12 . VAL . 19522 1 13 . VAL . 19522 1 14 . ASP . 19522 1 15 . PHE . 19522 1 16 . LEU . 19522 1 17 . SER . 19522 1 18 . TYR . 19522 1 19 . LYS . 19522 1 20 . LEU . 19522 1 21 . SER . 19522 1 22 . GLN . 19522 1 23 . LYS . 19522 1 24 . GLY . 19522 1 25 . TYR . 19522 1 26 . SER . 19522 1 27 . TRP . 19522 1 28 . SER . 19522 1 29 . GLN . 19522 1 30 . PHE . 19522 1 31 . SER . 19522 1 32 . ASP . 19522 1 33 . VAL . 19522 1 34 . GLU . 19522 1 35 . GLU . 19522 1 36 . ASN . 19522 1 37 . ARG . 19522 1 38 . THR . 19522 1 39 . GLU . 19522 1 40 . ALA . 19522 1 41 . PRO . 19522 1 42 . GLU . 19522 1 43 . GLY . 19522 1 44 . THR . 19522 1 45 . GLU . 19522 1 46 . SER . 19522 1 47 . GLU . 19522 1 48 . MET . 19522 1 49 . GLU . 19522 1 50 . THR . 19522 1 51 . PRO . 19522 1 52 . SER . 19522 1 53 . ALA . 19522 1 54 . ILE . 19522 1 55 . ASN . 19522 1 56 . GLY . 19522 1 57 . ASN . 19522 1 58 . PRO . 19522 1 59 . SER . 19522 1 60 . TRP . 19522 1 61 . HIS . 19522 1 62 . LEU . 19522 1 63 . ALA . 19522 1 64 . ASP . 19522 1 65 . SER . 19522 1 66 . PRO . 19522 1 67 . ALA . 19522 1 68 . VAL . 19522 1 69 . ASN . 19522 1 70 . GLY . 19522 1 71 . ALA . 19522 1 72 . THR . 19522 1 73 . GLY . 19522 1 74 . HIS . 19522 1 75 . SER . 19522 1 76 . SER . 19522 1 77 . SER . 19522 1 78 . LEU . 19522 1 79 . ASP . 19522 1 80 . ALA . 19522 1 81 . ARG . 19522 1 82 . GLU . 19522 1 83 . VAL . 19522 1 84 . ILE . 19522 1 85 . PRO . 19522 1 86 . MET . 19522 1 87 . ALA . 19522 1 88 . ALA . 19522 1 89 . VAL . 19522 1 90 . LYS . 19522 1 91 . GLN . 19522 1 92 . ALA . 19522 1 93 . LEU . 19522 1 94 . ARG . 19522 1 95 . GLU . 19522 1 96 . ALA . 19522 1 97 . GLY . 19522 1 98 . ASP . 19522 1 99 . GLU . 19522 1 100 . PHE . 19522 1 101 . GLU . 19522 1 102 . LEU . 19522 1 103 . ARG . 19522 1 104 . TYR . 19522 1 105 . ARG . 19522 1 106 . ARG . 19522 1 107 . ALA . 19522 1 108 . PHE . 19522 1 109 . SER . 19522 1 110 . ASP . 19522 1 111 . LEU . 19522 1 112 . THR . 19522 1 113 . SER . 19522 1 114 . GLN . 19522 1 115 . LEU . 19522 1 116 . HIS . 19522 1 117 . ILE . 19522 1 118 . THR . 19522 1 119 . PRO . 19522 1 120 . GLY . 19522 1 121 . THR . 19522 1 122 . ALA . 19522 1 123 . TYR . 19522 1 124 . GLN . 19522 1 125 . SER . 19522 1 126 . PHE . 19522 1 127 . GLU . 19522 1 128 . GLN . 19522 1 129 . VAL . 19522 1 130 . VAL . 19522 1 131 . ASN . 19522 1 132 . GLU . 19522 1 133 . LEU . 19522 1 134 . PHE . 19522 1 135 . ARG . 19522 1 136 . ASP . 19522 1 137 . GLY . 19522 1 138 . VAL . 19522 1 139 . ASN . 19522 1 140 . TRP . 19522 1 141 . GLY . 19522 1 142 . ARG . 19522 1 143 . ILE . 19522 1 144 . VAL . 19522 1 145 . ALA . 19522 1 146 . PHE . 19522 1 147 . PHE . 19522 1 148 . SER . 19522 1 149 . PHE . 19522 1 150 . GLY . 19522 1 151 . GLY . 19522 1 152 . ALA . 19522 1 153 . LEU . 19522 1 154 . CYS . 19522 1 155 . VAL . 19522 1 156 . GLU . 19522 1 157 . SER . 19522 1 158 . VAL . 19522 1 159 . ASP . 19522 1 160 . LYS . 19522 1 161 . GLU . 19522 1 162 . MET . 19522 1 163 . GLN . 19522 1 164 . VAL . 19522 1 165 . LEU . 19522 1 166 . VAL . 19522 1 167 . SER . 19522 1 168 . ARG . 19522 1 169 . ILE . 19522 1 170 . ALA . 19522 1 171 . ALA . 19522 1 172 . TRP . 19522 1 173 . MET . 19522 1 174 . ALA . 19522 1 175 . THR . 19522 1 176 . TYR . 19522 1 177 . LEU . 19522 1 178 . ASN . 19522 1 179 . ASP . 19522 1 180 . HIS . 19522 1 181 . LEU . 19522 1 182 . GLU . 19522 1 183 . PRO . 19522 1 184 . TRP . 19522 1 185 . ILE . 19522 1 186 . GLN . 19522 1 187 . GLU . 19522 1 188 . ASN . 19522 1 189 . GLY . 19522 1 190 . GLY . 19522 1 191 . TRP . 19522 1 192 . ASP . 19522 1 193 . THR . 19522 1 194 . PHE . 19522 1 195 . VAL . 19522 1 196 . GLU . 19522 1 197 . LEU . 19522 1 198 . TYR . 19522 1 199 . GLY . 19522 1 200 . ASN . 19522 1 201 . ASN . 19522 1 202 . ALA . 19522 1 203 . ALA . 19522 1 204 . ALA . 19522 1 205 . GLU . 19522 1 206 . SER . 19522 1 207 . ARG . 19522 1 208 . LYS . 19522 1 209 . GLY . 19522 1 210 . GLN . 19522 1 211 . GLU . 19522 1 212 . ARG . 19522 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 19522 1 . HIS 2 2 19522 1 . SER 3 3 19522 1 . MET 4 4 19522 1 . SER 5 5 19522 1 . GLN 6 6 19522 1 . SER 7 7 19522 1 . ASN 8 8 19522 1 . ARG 9 9 19522 1 . GLU 10 10 19522 1 . LEU 11 11 19522 1 . VAL 12 12 19522 1 . VAL 13 13 19522 1 . ASP 14 14 19522 1 . PHE 15 15 19522 1 . LEU 16 16 19522 1 . SER 17 17 19522 1 . TYR 18 18 19522 1 . LYS 19 19 19522 1 . LEU 20 20 19522 1 . SER 21 21 19522 1 . GLN 22 22 19522 1 . LYS 23 23 19522 1 . GLY 24 24 19522 1 . TYR 25 25 19522 1 . SER 26 26 19522 1 . TRP 27 27 19522 1 . SER 28 28 19522 1 . GLN 29 29 19522 1 . PHE 30 30 19522 1 . SER 31 31 19522 1 . ASP 32 32 19522 1 . VAL 33 33 19522 1 . GLU 34 34 19522 1 . GLU 35 35 19522 1 . ASN 36 36 19522 1 . ARG 37 37 19522 1 . THR 38 38 19522 1 . GLU 39 39 19522 1 . ALA 40 40 19522 1 . PRO 41 41 19522 1 . GLU 42 42 19522 1 . GLY 43 43 19522 1 . THR 44 44 19522 1 . GLU 45 45 19522 1 . SER 46 46 19522 1 . GLU 47 47 19522 1 . MET 48 48 19522 1 . GLU 49 49 19522 1 . THR 50 50 19522 1 . PRO 51 51 19522 1 . SER 52 52 19522 1 . ALA 53 53 19522 1 . ILE 54 54 19522 1 . ASN 55 55 19522 1 . GLY 56 56 19522 1 . ASN 57 57 19522 1 . PRO 58 58 19522 1 . SER 59 59 19522 1 . TRP 60 60 19522 1 . HIS 61 61 19522 1 . LEU 62 62 19522 1 . ALA 63 63 19522 1 . ASP 64 64 19522 1 . SER 65 65 19522 1 . PRO 66 66 19522 1 . ALA 67 67 19522 1 . VAL 68 68 19522 1 . ASN 69 69 19522 1 . GLY 70 70 19522 1 . ALA 71 71 19522 1 . THR 72 72 19522 1 . GLY 73 73 19522 1 . HIS 74 74 19522 1 . SER 75 75 19522 1 . SER 76 76 19522 1 . SER 77 77 19522 1 . LEU 78 78 19522 1 . ASP 79 79 19522 1 . ALA 80 80 19522 1 . ARG 81 81 19522 1 . GLU 82 82 19522 1 . VAL 83 83 19522 1 . ILE 84 84 19522 1 . PRO 85 85 19522 1 . MET 86 86 19522 1 . ALA 87 87 19522 1 . ALA 88 88 19522 1 . VAL 89 89 19522 1 . LYS 90 90 19522 1 . GLN 91 91 19522 1 . ALA 92 92 19522 1 . LEU 93 93 19522 1 . ARG 94 94 19522 1 . GLU 95 95 19522 1 . ALA 96 96 19522 1 . GLY 97 97 19522 1 . ASP 98 98 19522 1 . GLU 99 99 19522 1 . PHE 100 100 19522 1 . GLU 101 101 19522 1 . LEU 102 102 19522 1 . ARG 103 103 19522 1 . TYR 104 104 19522 1 . ARG 105 105 19522 1 . ARG 106 106 19522 1 . ALA 107 107 19522 1 . PHE 108 108 19522 1 . SER 109 109 19522 1 . ASP 110 110 19522 1 . LEU 111 111 19522 1 . THR 112 112 19522 1 . SER 113 113 19522 1 . GLN 114 114 19522 1 . LEU 115 115 19522 1 . HIS 116 116 19522 1 . ILE 117 117 19522 1 . THR 118 118 19522 1 . PRO 119 119 19522 1 . GLY 120 120 19522 1 . THR 121 121 19522 1 . ALA 122 122 19522 1 . TYR 123 123 19522 1 . GLN 124 124 19522 1 . SER 125 125 19522 1 . PHE 126 126 19522 1 . GLU 127 127 19522 1 . GLN 128 128 19522 1 . VAL 129 129 19522 1 . VAL 130 130 19522 1 . ASN 131 131 19522 1 . GLU 132 132 19522 1 . LEU 133 133 19522 1 . PHE 134 134 19522 1 . ARG 135 135 19522 1 . ASP 136 136 19522 1 . GLY 137 137 19522 1 . VAL 138 138 19522 1 . ASN 139 139 19522 1 . TRP 140 140 19522 1 . GLY 141 141 19522 1 . ARG 142 142 19522 1 . ILE 143 143 19522 1 . VAL 144 144 19522 1 . ALA 145 145 19522 1 . PHE 146 146 19522 1 . PHE 147 147 19522 1 . SER 148 148 19522 1 . PHE 149 149 19522 1 . GLY 150 150 19522 1 . GLY 151 151 19522 1 . ALA 152 152 19522 1 . LEU 153 153 19522 1 . CYS 154 154 19522 1 . VAL 155 155 19522 1 . GLU 156 156 19522 1 . SER 157 157 19522 1 . VAL 158 158 19522 1 . ASP 159 159 19522 1 . LYS 160 160 19522 1 . GLU 161 161 19522 1 . MET 162 162 19522 1 . GLN 163 163 19522 1 . VAL 164 164 19522 1 . LEU 165 165 19522 1 . VAL 166 166 19522 1 . SER 167 167 19522 1 . ARG 168 168 19522 1 . ILE 169 169 19522 1 . ALA 170 170 19522 1 . ALA 171 171 19522 1 . TRP 172 172 19522 1 . MET 173 173 19522 1 . ALA 174 174 19522 1 . THR 175 175 19522 1 . TYR 176 176 19522 1 . LEU 177 177 19522 1 . ASN 178 178 19522 1 . ASP 179 179 19522 1 . HIS 180 180 19522 1 . LEU 181 181 19522 1 . GLU 182 182 19522 1 . PRO 183 183 19522 1 . TRP 184 184 19522 1 . ILE 185 185 19522 1 . GLN 186 186 19522 1 . GLU 187 187 19522 1 . ASN 188 188 19522 1 . GLY 189 189 19522 1 . GLY 190 190 19522 1 . TRP 191 191 19522 1 . ASP 192 192 19522 1 . THR 193 193 19522 1 . PHE 194 194 19522 1 . VAL 195 195 19522 1 . GLU 196 196 19522 1 . LEU 197 197 19522 1 . TYR 198 198 19522 1 . GLY 199 199 19522 1 . ASN 200 200 19522 1 . ASN 201 201 19522 1 . ALA 202 202 19522 1 . ALA 203 203 19522 1 . ALA 204 204 19522 1 . GLU 205 205 19522 1 . SER 206 206 19522 1 . ARG 207 207 19522 1 . LYS 208 208 19522 1 . GLY 209 209 19522 1 . GLN 210 210 19522 1 . GLU 211 211 19522 1 . ARG 212 212 19522 1 stop_ save_ save_p53 _Entity.Sf_category entity _Entity.Sf_framecode p53 _Entity.Entry_ID 19522 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name p53 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHSTYQGSYGFRLGFLHSGT AKSVTCTYSPALNKMFCQLA KTCPVQLWVDSTPPPGTRVR AMAIYKQSQHMTEVVRRCPH HERCSDSDGLAPPQHLIRVE GNLRVEYLDDRNTFRHSVVV PYEPPEVGSDCTTIHYNYMC NSSCMGGMNRRPILTIITLE DSSGNLLGRNSFEVRVCACP GRDRRTEEENLRKKGEPHHE LPPGSTKRALSNNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22016.141 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB BAC16799 . P53 . . . . . . . . . . . . . . 19522 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19522 2 2 . HIS . 19522 2 3 . SER . 19522 2 4 . THR . 19522 2 5 . TYR . 19522 2 6 . GLN . 19522 2 7 . GLY . 19522 2 8 . SER . 19522 2 9 . TYR . 19522 2 10 . GLY . 19522 2 11 . PHE . 19522 2 12 . ARG . 19522 2 13 . LEU . 19522 2 14 . GLY . 19522 2 15 . PHE . 19522 2 16 . LEU . 19522 2 17 . HIS . 19522 2 18 . SER . 19522 2 19 . GLY . 19522 2 20 . THR . 19522 2 21 . ALA . 19522 2 22 . LYS . 19522 2 23 . SER . 19522 2 24 . VAL . 19522 2 25 . THR . 19522 2 26 . CYS . 19522 2 27 . THR . 19522 2 28 . TYR . 19522 2 29 . SER . 19522 2 30 . PRO . 19522 2 31 . ALA . 19522 2 32 . LEU . 19522 2 33 . ASN . 19522 2 34 . LYS . 19522 2 35 . MET . 19522 2 36 . PHE . 19522 2 37 . CYS . 19522 2 38 . GLN . 19522 2 39 . LEU . 19522 2 40 . ALA . 19522 2 41 . LYS . 19522 2 42 . THR . 19522 2 43 . CYS . 19522 2 44 . PRO . 19522 2 45 . VAL . 19522 2 46 . GLN . 19522 2 47 . LEU . 19522 2 48 . TRP . 19522 2 49 . VAL . 19522 2 50 . ASP . 19522 2 51 . SER . 19522 2 52 . THR . 19522 2 53 . PRO . 19522 2 54 . PRO . 19522 2 55 . PRO . 19522 2 56 . GLY . 19522 2 57 . THR . 19522 2 58 . ARG . 19522 2 59 . VAL . 19522 2 60 . ARG . 19522 2 61 . ALA . 19522 2 62 . MET . 19522 2 63 . ALA . 19522 2 64 . ILE . 19522 2 65 . TYR . 19522 2 66 . LYS . 19522 2 67 . GLN . 19522 2 68 . SER . 19522 2 69 . GLN . 19522 2 70 . HIS . 19522 2 71 . MET . 19522 2 72 . THR . 19522 2 73 . GLU . 19522 2 74 . VAL . 19522 2 75 . VAL . 19522 2 76 . ARG . 19522 2 77 . ARG . 19522 2 78 . CYS . 19522 2 79 . PRO . 19522 2 80 . HIS . 19522 2 81 . HIS . 19522 2 82 . GLU . 19522 2 83 . ARG . 19522 2 84 . CYS . 19522 2 85 . SER . 19522 2 86 . ASP . 19522 2 87 . SER . 19522 2 88 . ASP . 19522 2 89 . GLY . 19522 2 90 . LEU . 19522 2 91 . ALA . 19522 2 92 . PRO . 19522 2 93 . PRO . 19522 2 94 . GLN . 19522 2 95 . HIS . 19522 2 96 . LEU . 19522 2 97 . ILE . 19522 2 98 . ARG . 19522 2 99 . VAL . 19522 2 100 . GLU . 19522 2 101 . GLY . 19522 2 102 . ASN . 19522 2 103 . LEU . 19522 2 104 . ARG . 19522 2 105 . VAL . 19522 2 106 . GLU . 19522 2 107 . TYR . 19522 2 108 . LEU . 19522 2 109 . ASP . 19522 2 110 . ASP . 19522 2 111 . ARG . 19522 2 112 . ASN . 19522 2 113 . THR . 19522 2 114 . PHE . 19522 2 115 . ARG . 19522 2 116 . HIS . 19522 2 117 . SER . 19522 2 118 . VAL . 19522 2 119 . VAL . 19522 2 120 . VAL . 19522 2 121 . PRO . 19522 2 122 . TYR . 19522 2 123 . GLU . 19522 2 124 . PRO . 19522 2 125 . PRO . 19522 2 126 . GLU . 19522 2 127 . VAL . 19522 2 128 . GLY . 19522 2 129 . SER . 19522 2 130 . ASP . 19522 2 131 . CYS . 19522 2 132 . THR . 19522 2 133 . THR . 19522 2 134 . ILE . 19522 2 135 . HIS . 19522 2 136 . TYR . 19522 2 137 . ASN . 19522 2 138 . TYR . 19522 2 139 . MET . 19522 2 140 . CYS . 19522 2 141 . ASN . 19522 2 142 . SER . 19522 2 143 . SER . 19522 2 144 . CYS . 19522 2 145 . MET . 19522 2 146 . GLY . 19522 2 147 . GLY . 19522 2 148 . MET . 19522 2 149 . ASN . 19522 2 150 . ARG . 19522 2 151 . ARG . 19522 2 152 . PRO . 19522 2 153 . ILE . 19522 2 154 . LEU . 19522 2 155 . THR . 19522 2 156 . ILE . 19522 2 157 . ILE . 19522 2 158 . THR . 19522 2 159 . LEU . 19522 2 160 . GLU . 19522 2 161 . ASP . 19522 2 162 . SER . 19522 2 163 . SER . 19522 2 164 . GLY . 19522 2 165 . ASN . 19522 2 166 . LEU . 19522 2 167 . LEU . 19522 2 168 . GLY . 19522 2 169 . ARG . 19522 2 170 . ASN . 19522 2 171 . SER . 19522 2 172 . PHE . 19522 2 173 . GLU . 19522 2 174 . VAL . 19522 2 175 . ARG . 19522 2 176 . VAL . 19522 2 177 . CYS . 19522 2 178 . ALA . 19522 2 179 . CYS . 19522 2 180 . PRO . 19522 2 181 . GLY . 19522 2 182 . ARG . 19522 2 183 . ASP . 19522 2 184 . ARG . 19522 2 185 . ARG . 19522 2 186 . THR . 19522 2 187 . GLU . 19522 2 188 . GLU . 19522 2 189 . GLU . 19522 2 190 . ASN . 19522 2 191 . LEU . 19522 2 192 . ARG . 19522 2 193 . LYS . 19522 2 194 . LYS . 19522 2 195 . GLY . 19522 2 196 . GLU . 19522 2 197 . PRO . 19522 2 198 . HIS . 19522 2 199 . HIS . 19522 2 200 . GLU . 19522 2 201 . LEU . 19522 2 202 . PRO . 19522 2 203 . PRO . 19522 2 204 . GLY . 19522 2 205 . SER . 19522 2 206 . THR . 19522 2 207 . LYS . 19522 2 208 . ARG . 19522 2 209 . ALA . 19522 2 210 . LEU . 19522 2 211 . SER . 19522 2 212 . ASN . 19522 2 213 . ASN . 19522 2 214 . THR . 19522 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19522 2 . HIS 2 2 19522 2 . SER 3 3 19522 2 . THR 4 4 19522 2 . TYR 5 5 19522 2 . GLN 6 6 19522 2 . GLY 7 7 19522 2 . SER 8 8 19522 2 . TYR 9 9 19522 2 . GLY 10 10 19522 2 . PHE 11 11 19522 2 . ARG 12 12 19522 2 . LEU 13 13 19522 2 . GLY 14 14 19522 2 . PHE 15 15 19522 2 . LEU 16 16 19522 2 . HIS 17 17 19522 2 . SER 18 18 19522 2 . GLY 19 19 19522 2 . THR 20 20 19522 2 . ALA 21 21 19522 2 . LYS 22 22 19522 2 . SER 23 23 19522 2 . VAL 24 24 19522 2 . THR 25 25 19522 2 . CYS 26 26 19522 2 . THR 27 27 19522 2 . TYR 28 28 19522 2 . SER 29 29 19522 2 . PRO 30 30 19522 2 . ALA 31 31 19522 2 . LEU 32 32 19522 2 . ASN 33 33 19522 2 . LYS 34 34 19522 2 . MET 35 35 19522 2 . PHE 36 36 19522 2 . CYS 37 37 19522 2 . GLN 38 38 19522 2 . LEU 39 39 19522 2 . ALA 40 40 19522 2 . LYS 41 41 19522 2 . THR 42 42 19522 2 . CYS 43 43 19522 2 . PRO 44 44 19522 2 . VAL 45 45 19522 2 . GLN 46 46 19522 2 . LEU 47 47 19522 2 . TRP 48 48 19522 2 . VAL 49 49 19522 2 . ASP 50 50 19522 2 . SER 51 51 19522 2 . THR 52 52 19522 2 . PRO 53 53 19522 2 . PRO 54 54 19522 2 . PRO 55 55 19522 2 . GLY 56 56 19522 2 . THR 57 57 19522 2 . ARG 58 58 19522 2 . VAL 59 59 19522 2 . ARG 60 60 19522 2 . ALA 61 61 19522 2 . MET 62 62 19522 2 . ALA 63 63 19522 2 . ILE 64 64 19522 2 . TYR 65 65 19522 2 . LYS 66 66 19522 2 . GLN 67 67 19522 2 . SER 68 68 19522 2 . GLN 69 69 19522 2 . HIS 70 70 19522 2 . MET 71 71 19522 2 . THR 72 72 19522 2 . GLU 73 73 19522 2 . VAL 74 74 19522 2 . VAL 75 75 19522 2 . ARG 76 76 19522 2 . ARG 77 77 19522 2 . CYS 78 78 19522 2 . PRO 79 79 19522 2 . HIS 80 80 19522 2 . HIS 81 81 19522 2 . GLU 82 82 19522 2 . ARG 83 83 19522 2 . CYS 84 84 19522 2 . SER 85 85 19522 2 . ASP 86 86 19522 2 . SER 87 87 19522 2 . ASP 88 88 19522 2 . GLY 89 89 19522 2 . LEU 90 90 19522 2 . ALA 91 91 19522 2 . PRO 92 92 19522 2 . PRO 93 93 19522 2 . GLN 94 94 19522 2 . HIS 95 95 19522 2 . LEU 96 96 19522 2 . ILE 97 97 19522 2 . ARG 98 98 19522 2 . VAL 99 99 19522 2 . GLU 100 100 19522 2 . GLY 101 101 19522 2 . ASN 102 102 19522 2 . LEU 103 103 19522 2 . ARG 104 104 19522 2 . VAL 105 105 19522 2 . GLU 106 106 19522 2 . TYR 107 107 19522 2 . LEU 108 108 19522 2 . ASP 109 109 19522 2 . ASP 110 110 19522 2 . ARG 111 111 19522 2 . ASN 112 112 19522 2 . THR 113 113 19522 2 . PHE 114 114 19522 2 . ARG 115 115 19522 2 . HIS 116 116 19522 2 . SER 117 117 19522 2 . VAL 118 118 19522 2 . VAL 119 119 19522 2 . VAL 120 120 19522 2 . PRO 121 121 19522 2 . TYR 122 122 19522 2 . GLU 123 123 19522 2 . PRO 124 124 19522 2 . PRO 125 125 19522 2 . GLU 126 126 19522 2 . VAL 127 127 19522 2 . GLY 128 128 19522 2 . SER 129 129 19522 2 . ASP 130 130 19522 2 . CYS 131 131 19522 2 . THR 132 132 19522 2 . THR 133 133 19522 2 . ILE 134 134 19522 2 . HIS 135 135 19522 2 . TYR 136 136 19522 2 . ASN 137 137 19522 2 . TYR 138 138 19522 2 . MET 139 139 19522 2 . CYS 140 140 19522 2 . ASN 141 141 19522 2 . SER 142 142 19522 2 . SER 143 143 19522 2 . CYS 144 144 19522 2 . MET 145 145 19522 2 . GLY 146 146 19522 2 . GLY 147 147 19522 2 . MET 148 148 19522 2 . ASN 149 149 19522 2 . ARG 150 150 19522 2 . ARG 151 151 19522 2 . PRO 152 152 19522 2 . ILE 153 153 19522 2 . LEU 154 154 19522 2 . THR 155 155 19522 2 . ILE 156 156 19522 2 . ILE 157 157 19522 2 . THR 158 158 19522 2 . LEU 159 159 19522 2 . GLU 160 160 19522 2 . ASP 161 161 19522 2 . SER 162 162 19522 2 . SER 163 163 19522 2 . GLY 164 164 19522 2 . ASN 165 165 19522 2 . LEU 166 166 19522 2 . LEU 167 167 19522 2 . GLY 168 168 19522 2 . ARG 169 169 19522 2 . ASN 170 170 19522 2 . SER 171 171 19522 2 . PHE 172 172 19522 2 . GLU 173 173 19522 2 . VAL 174 174 19522 2 . ARG 175 175 19522 2 . VAL 176 176 19522 2 . CYS 177 177 19522 2 . ALA 178 178 19522 2 . CYS 179 179 19522 2 . PRO 180 180 19522 2 . GLY 181 181 19522 2 . ARG 182 182 19522 2 . ASP 183 183 19522 2 . ARG 184 184 19522 2 . ARG 185 185 19522 2 . THR 186 186 19522 2 . GLU 187 187 19522 2 . GLU 188 188 19522 2 . GLU 189 189 19522 2 . ASN 190 190 19522 2 . LEU 191 191 19522 2 . ARG 192 192 19522 2 . LYS 193 193 19522 2 . LYS 194 194 19522 2 . GLY 195 195 19522 2 . GLU 196 196 19522 2 . PRO 197 197 19522 2 . HIS 198 198 19522 2 . HIS 199 199 19522 2 . GLU 200 200 19522 2 . LEU 201 201 19522 2 . PRO 202 202 19522 2 . PRO 203 203 19522 2 . GLY 204 204 19522 2 . SER 205 205 19522 2 . THR 206 206 19522 2 . LYS 207 207 19522 2 . ARG 208 208 19522 2 . ALA 209 209 19522 2 . LEU 210 210 19522 2 . SER 211 211 19522 2 . ASN 212 212 19522 2 . ASN 213 213 19522 2 . THR 214 214 19522 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19522 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19522 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19522 3 ZN 'Three letter code' 19522 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19522 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19522 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19522 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BCL-xL . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 19522 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 19522 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BCL-xL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET28 . . . 19522 1 2 2 $p53 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET28 . . . 19522 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19522 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19522 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19522 ZN [Zn++] SMILES CACTVS 3.341 19522 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19522 ZN [Zn+2] SMILES ACDLabs 10.04 19522 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19522 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19522 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19522 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19522 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19522 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_p53_assignment _Sample.Sf_category sample _Sample.Sf_framecode p53_assignment _Sample.Entry_ID 19522 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 13C; U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.6 . . mM . . . . 19522 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19522 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 19522 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19522 1 5 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 19522 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 1 stop_ save_ save_labeled_p53_BCL-xL _Sample.Sf_category sample _Sample.Sf_framecode labeled_p53_BCL-xL _Sample.Entry_ID 19522 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 13C; U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.6 . . mM . . . . 19522 2 2 BCL-xL 'natural abundance' . . 1 $BCL-xL . . 0.65 . . mM . . . . 19522 2 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 2 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 2 stop_ save_ save_151MTSL_BCL-xL_ox _Sample.Sf_category sample _Sample.Sf_framecode 151MTSL_BCL-xL_ox _Sample.Entry_ID 19522 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Without DTT: oxidized MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 3 2 BCL-xL_C151MTSL 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 3 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 3 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 3 stop_ save_ save_151MTSL_BCL-xL_red _Sample.Sf_category sample _Sample.Sf_framecode 151MTSL_BCL-xL_red _Sample.Entry_ID 19522 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM DTT: reduced MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 4 2 BCL-xL_C151MTSL 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 4 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19522 4 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 4 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 4 stop_ save_ save_122MTSL_BCL-xL_ox _Sample.Sf_category sample _Sample.Sf_framecode 122MTSL_BCL-xL_ox _Sample.Entry_ID 19522 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Without DTT: oxydized MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 5 2 'BCL-xL_C151S_S122C MTSL' 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 5 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 5 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 5 stop_ save_ save_122MTSL_BCL-xL_red _Sample.Sf_category sample _Sample.Sf_framecode 122MTSL_BCL-xL_red _Sample.Entry_ID 19522 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM DTT: reduced MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 6 2 'BCL-xL_C151S_S122C MTSL' 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 6 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19522 6 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 6 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 6 stop_ save_ save_2MTSL_BCL-xL_ox _Sample.Sf_category sample _Sample.Sf_framecode 2MTSL_BCL-xL_ox _Sample.Entry_ID 19522 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Withoud DTT: oxidized MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 7 2 'BCL-xL_C151S_S2C MTSL' 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 7 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 7 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 7 stop_ save_ save_2MTSL_BCL-xL_red _Sample.Sf_category sample _Sample.Sf_framecode 2MTSL_BCL-xL_red _Sample.Entry_ID 19522 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM DTT: reduced MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p53 '[U-98% 15N; U-98% 2H]' . . 2 $p53 . . 0.1 . . mM . . . . 19522 8 2 'BCL-xL_C151S_S2C MTSL' 'natural abundance' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 8 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19522 8 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 8 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 8 stop_ save_ save_BCL-xL_Co_p53 _Sample.Sf_category sample _Sample.Sf_framecode BCL-xL_Co_p53 _Sample.Entry_ID 19522 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BCL-xL '[U-98% 15N; U-98% 2H]' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 9 2 Co_p53 'natural abundance' . . 2 $p53 . . 0.1 . . mM . . . . 19522 9 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 9 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 9 stop_ save_ save_BCL-xL_Zn_p53 _Sample.Sf_category sample _Sample.Sf_framecode BCL-xL_Zn_p53 _Sample.Entry_ID 19522 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BCL-xL '[U-98% 15N; U-98% 2H]' . . 1 $BCL-xL . . 0.1 . . mM . . . . 19522 10 2 p53 'natural abundance' . . 2 $p53 . . 0.1 . . mM . . . . 19522 10 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19522 10 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19522 10 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19522 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19522 1 pH 7.0 0.1 pH 19522 1 pressure 1 . atm 19522 1 temperature 298 . K 19522 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19522 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19522 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19522 1 processing 19522 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19522 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R.L.J.' . . 19522 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19522 2 'data analysis' 19522 2 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 19522 _Software.ID 3 _Software.Name HADDOCK _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bonvin, A.' . . 19522 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19522 3 'structure solution' 19522 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19522 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19522 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19522 1 2 spectrometer_2 Bruker Avance . 600 . . . 19522 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 19522 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $labeled_p53_BCL-xL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $151MTSL_BCL-xL_ox isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $151MTSL_BCL-xL_red isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $122MTSL_BCL-xL_ox isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $122MTSL_BCL-xL_ox isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $2MTSL_BCL-xL_ox isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $2MTSL_BCL-xL_red isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 9 $BCL-xL_Co_p53 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 10 $BCL-xL_Zn_p53 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $labeled_p53_BCL-xL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 12 '3D HNCA' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 13 '3D HNCACB' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 14 '3D HNCO' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 15 '3D HN(CO)CA' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 16 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $p53_assignment isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 19 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $labeled_p53_BCL-xL isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 20 '2D CBCACO' no . . . . . . . . . . 9 $BCL-xL_Co_p53 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 21 '2D CBCACO' no . . . . . . . . . . 10 $BCL-xL_Zn_p53 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19522 1 22 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 9 $BCL-xL_Co_p53 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 23 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 10 $BCL-xL_Zn_p53 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19522 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19522 _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 external indirect 0.25145 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19522 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19522 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10133 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19522 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 12 '3D HNCA' . . . 19522 1 13 '3D HNCACB' . . . 19522 1 14 '3D HNCO' . . . 19522 1 15 '3D HN(CO)CA' . . . 19522 1 17 '3D HCCH-TOCSY' . . . 19522 1 18 '3D 1H-13C NOESY aliphatic' . . . 19522 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 2 2 HIS H H 1 7.419 0.020 . 1 . . . . 2 HIS H . 19522 1 2 . 1 1 2 2 HIS CA C 13 56.562 0.3 . 1 . . . . 2 HIS CA . 19522 1 3 . 1 1 2 2 HIS CB C 13 38.023 0.3 . 1 . . . . 2 HIS CB . 19522 1 4 . 1 1 2 2 HIS N N 15 117.497 0.3 . 1 . . . . 2 HIS N . 19522 1 5 . 1 1 4 4 MET H H 1 8.115 0.020 . 1 . . . A 4 MET H . 19522 1 6 . 1 1 4 4 MET C C 13 176.438 0.3 . 1 . . . A 4 MET C . 19522 1 7 . 1 1 4 4 MET CA C 13 55.341 0.3 . 1 . . . A 4 MET CA . 19522 1 8 . 1 1 4 4 MET CB C 13 29.313 0.3 . 1 . . . A 4 MET CB . 19522 1 9 . 1 1 4 4 MET N N 15 119.344 0.3 . 1 . . . A 4 MET N . 19522 1 10 . 1 1 5 5 SER H H 1 8.224 0.020 . 1 . . . A 5 SER H . 19522 1 11 . 1 1 5 5 SER C C 13 174.320 0.3 . 1 . . . A 5 SER C . 19522 1 12 . 1 1 5 5 SER CA C 13 57.898 0.3 . 1 . . . A 5 SER CA . 19522 1 13 . 1 1 5 5 SER CB C 13 62.533 0.3 . 1 . . . A 5 SER CB . 19522 1 14 . 1 1 5 5 SER N N 15 116.171 0.3 . 1 . . . A 5 SER N . 19522 1 15 . 1 1 6 6 GLN H H 1 8.337 0.020 . 1 . . . A 6 GLN H . 19522 1 16 . 1 1 6 6 GLN C C 13 176.418 0.3 . 1 . . . A 6 GLN C . 19522 1 17 . 1 1 6 6 GLN CA C 13 55.900 0.3 . 1 . . . A 6 GLN CA . 19522 1 18 . 1 1 6 6 GLN CB C 13 28.810 0.3 . 1 . . . A 6 GLN CB . 19522 1 19 . 1 1 6 6 GLN N N 15 122.369 0.3 . 1 . . . A 6 GLN N . 19522 1 20 . 1 1 7 7 SER H H 1 8.221 0.020 . 1 . . . A 7 SER H . 19522 1 21 . 1 1 7 7 SER C C 13 175.859 0.3 . 1 . . . A 7 SER C . 19522 1 22 . 1 1 7 7 SER CA C 13 56.260 0.3 . 1 . . . A 7 SER CA . 19522 1 23 . 1 1 7 7 SER CB C 13 61.916 0.3 . 1 . . . A 7 SER CB . 19522 1 24 . 1 1 7 7 SER N N 15 116.584 0.3 . 1 . . . A 7 SER N . 19522 1 25 . 1 1 8 8 ASN H H 1 8.375 0.020 . 1 . . . A 8 ASN H . 19522 1 26 . 1 1 8 8 ASN C C 13 177.259 0.3 . 1 . . . A 8 ASN C . 19522 1 27 . 1 1 8 8 ASN CA C 13 53.207 0.3 . 1 . . . A 8 ASN CA . 19522 1 28 . 1 1 8 8 ASN CB C 13 36.664 0.3 . 1 . . . A 8 ASN CB . 19522 1 29 . 1 1 8 8 ASN N N 15 119.373 0.3 . 1 . . . A 8 ASN N . 19522 1 30 . 1 1 9 9 ARG H H 1 7.815 0.020 . 1 . . . A 9 ARG H . 19522 1 31 . 1 1 9 9 ARG C C 13 176.977 0.3 . 1 . . . A 9 ARG C . 19522 1 32 . 1 1 9 9 ARG CA C 13 58.006 0.3 . 1 . . . A 9 ARG CA . 19522 1 33 . 1 1 9 9 ARG CB C 13 31.310 0.3 . 1 . . . A 9 ARG CB . 19522 1 34 . 1 1 9 9 ARG N N 15 119.039 0.3 . 1 . . . A 9 ARG N . 19522 1 35 . 1 1 10 10 GLU H H 1 7.949 0.020 . 1 . . . A 10 GLU H . 19522 1 36 . 1 1 10 10 GLU C C 13 179.475 0.3 . 1 . . . A 10 GLU C . 19522 1 37 . 1 1 10 10 GLU CA C 13 55.497 0.3 . 1 . . . A 10 GLU CA . 19522 1 38 . 1 1 10 10 GLU CB C 13 28.993 0.3 . 1 . . . A 10 GLU CB . 19522 1 39 . 1 1 10 10 GLU N N 15 117.158 0.3 . 1 . . . A 10 GLU N . 19522 1 40 . 1 1 11 11 LEU H H 1 7.807 0.020 . 1 . . . A 11 LEU H . 19522 1 41 . 1 1 11 11 LEU HD11 H 1 0.173 0.020 . 1 . . . A 11 LEU HD1 . 19522 1 42 . 1 1 11 11 LEU HD12 H 1 0.173 0.020 . 1 . . . A 11 LEU HD1 . 19522 1 43 . 1 1 11 11 LEU HD13 H 1 0.173 0.020 . 1 . . . A 11 LEU HD1 . 19522 1 44 . 1 1 11 11 LEU HD21 H 1 -0.156 0.020 . 1 . . . A 11 LEU HD2 . 19522 1 45 . 1 1 11 11 LEU HD22 H 1 -0.156 0.020 . 1 . . . A 11 LEU HD2 . 19522 1 46 . 1 1 11 11 LEU HD23 H 1 -0.156 0.020 . 1 . . . A 11 LEU HD2 . 19522 1 47 . 1 1 11 11 LEU C C 13 178.096 0.3 . 1 . . . A 11 LEU C . 19522 1 48 . 1 1 11 11 LEU CA C 13 57.201 0.3 . 1 . . . A 11 LEU CA . 19522 1 49 . 1 1 11 11 LEU CB C 13 39.918 0.3 . 1 . . . A 11 LEU CB . 19522 1 50 . 1 1 11 11 LEU CD1 C 13 23.055 0.3 . 1 . . . A 11 LEU CD1 . 19522 1 51 . 1 1 11 11 LEU CD2 C 13 23.669 0.3 . 1 . . . A 11 LEU CD2 . 19522 1 52 . 1 1 11 11 LEU N N 15 119.880 0.3 . 1 . . . A 11 LEU N . 19522 1 53 . 1 1 12 12 VAL H H 1 7.690 0.020 . 1 . . . A 12 VAL H . 19522 1 54 . 1 1 12 12 VAL HG11 H 1 1.041 0.020 . 1 . . . A 12 VAL HG1 . 19522 1 55 . 1 1 12 12 VAL HG12 H 1 1.041 0.020 . 1 . . . A 12 VAL HG1 . 19522 1 56 . 1 1 12 12 VAL HG13 H 1 1.041 0.020 . 1 . . . A 12 VAL HG1 . 19522 1 57 . 1 1 12 12 VAL HG21 H 1 1.162 0.020 . 1 . . . A 12 VAL HG2 . 19522 1 58 . 1 1 12 12 VAL HG22 H 1 1.162 0.020 . 1 . . . A 12 VAL HG2 . 19522 1 59 . 1 1 12 12 VAL HG23 H 1 1.162 0.020 . 1 . . . A 12 VAL HG2 . 19522 1 60 . 1 1 12 12 VAL C C 13 176.377 0.3 . 1 . . . A 12 VAL C . 19522 1 61 . 1 1 12 12 VAL CA C 13 67.088 0.3 . 1 . . . A 12 VAL CA . 19522 1 62 . 1 1 12 12 VAL CB C 13 30.968 0.3 . 1 . . . A 12 VAL CB . 19522 1 63 . 1 1 12 12 VAL CG1 C 13 23.364 0.3 . 1 . . . A 12 VAL CG1 . 19522 1 64 . 1 1 12 12 VAL CG2 C 13 22.237 0.3 . 1 . . . A 12 VAL CG2 . 19522 1 65 . 1 1 12 12 VAL N N 15 117.702 0.3 . 1 . . . A 12 VAL N . 19522 1 66 . 1 1 13 13 VAL H H 1 8.225 0.020 . 1 . . . A 13 VAL H . 19522 1 67 . 1 1 13 13 VAL HG11 H 1 0.875 0.020 . 1 . . . A 13 VAL HG1 . 19522 1 68 . 1 1 13 13 VAL HG12 H 1 0.875 0.020 . 1 . . . A 13 VAL HG1 . 19522 1 69 . 1 1 13 13 VAL HG13 H 1 0.875 0.020 . 1 . . . A 13 VAL HG1 . 19522 1 70 . 1 1 13 13 VAL HG21 H 1 0.854 0.020 . 1 . . . A 13 VAL HG2 . 19522 1 71 . 1 1 13 13 VAL HG22 H 1 0.854 0.020 . 1 . . . A 13 VAL HG2 . 19522 1 72 . 1 1 13 13 VAL HG23 H 1 0.854 0.020 . 1 . . . A 13 VAL HG2 . 19522 1 73 . 1 1 13 13 VAL C C 13 178.416 0.3 . 1 . . . A 13 VAL C . 19522 1 74 . 1 1 13 13 VAL CA C 13 65.912 0.3 . 1 . . . A 13 VAL CA . 19522 1 75 . 1 1 13 13 VAL CB C 13 28.593 0.3 . 1 . . . A 13 VAL CB . 19522 1 76 . 1 1 13 13 VAL CG1 C 13 19.916 0.3 . 1 . . . A 13 VAL CG1 . 19522 1 77 . 1 1 13 13 VAL CG2 C 13 19.998 0.3 . 1 . . . A 13 VAL CG2 . 19522 1 78 . 1 1 13 13 VAL N N 15 116.258 0.3 . 1 . . . A 13 VAL N . 19522 1 79 . 1 1 14 14 ASP H H 1 7.967 0.020 . 1 . . . A 14 ASP H . 19522 1 80 . 1 1 14 14 ASP C C 13 177.040 0.3 . 1 . . . A 14 ASP C . 19522 1 81 . 1 1 14 14 ASP CA C 13 57.978 0.3 . 1 . . . A 14 ASP CA . 19522 1 82 . 1 1 14 14 ASP CB C 13 42.258 0.3 . 1 . . . A 14 ASP CB . 19522 1 83 . 1 1 14 14 ASP N N 15 120.362 0.3 . 1 . . . A 14 ASP N . 19522 1 84 . 1 1 15 15 PHE H H 1 8.308 0.020 . 1 . . . A 15 PHE H . 19522 1 85 . 1 1 15 15 PHE C C 13 177.876 0.3 . 1 . . . A 15 PHE C . 19522 1 86 . 1 1 15 15 PHE CA C 13 62.475 0.3 . 1 . . . A 15 PHE CA . 19522 1 87 . 1 1 15 15 PHE CB C 13 38.582 0.3 . 1 . . . A 15 PHE CB . 19522 1 88 . 1 1 15 15 PHE N N 15 119.747 0.3 . 1 . . . A 15 PHE N . 19522 1 89 . 1 1 16 16 LEU H H 1 8.718 0.020 . 1 . . . A 16 LEU H . 19522 1 90 . 1 1 16 16 LEU HD11 H 1 0.868 0.020 . 1 . . . A 16 LEU HD1 . 19522 1 91 . 1 1 16 16 LEU HD12 H 1 0.868 0.020 . 1 . . . A 16 LEU HD1 . 19522 1 92 . 1 1 16 16 LEU HD13 H 1 0.868 0.020 . 1 . . . A 16 LEU HD1 . 19522 1 93 . 1 1 16 16 LEU HD21 H 1 0.845 0.020 . 1 . . . A 16 LEU HD2 . 19522 1 94 . 1 1 16 16 LEU HD22 H 1 0.845 0.020 . 1 . . . A 16 LEU HD2 . 19522 1 95 . 1 1 16 16 LEU HD23 H 1 0.845 0.020 . 1 . . . A 16 LEU HD2 . 19522 1 96 . 1 1 16 16 LEU C C 13 175.618 0.3 . 1 . . . A 16 LEU C . 19522 1 97 . 1 1 16 16 LEU CA C 13 57.578 0.3 . 1 . . . A 16 LEU CA . 19522 1 98 . 1 1 16 16 LEU CB C 13 40.340 0.3 . 1 . . . A 16 LEU CB . 19522 1 99 . 1 1 16 16 LEU CD1 C 13 21.357 0.3 . 1 . . . A 16 LEU CD1 . 19522 1 100 . 1 1 16 16 LEU CD2 C 13 24.704 0.3 . 1 . . . A 16 LEU CD2 . 19522 1 101 . 1 1 16 16 LEU N N 15 116.203 0.3 . 1 . . . A 16 LEU N . 19522 1 102 . 1 1 17 17 SER H H 1 8.338 0.020 . 1 . . . A 17 SER H . 19522 1 103 . 1 1 17 17 SER C C 13 176.980 0.3 . 1 . . . A 17 SER C . 19522 1 104 . 1 1 17 17 SER CA C 13 62.150 0.3 . 1 . . . A 17 SER CA . 19522 1 105 . 1 1 17 17 SER CB C 13 60.854 0.3 . 1 . . . A 17 SER CB . 19522 1 106 . 1 1 17 17 SER N N 15 113.607 0.3 . 1 . . . A 17 SER N . 19522 1 107 . 1 1 18 18 TYR H H 1 8.228 0.020 . 1 . . . A 18 TYR H . 19522 1 108 . 1 1 18 18 TYR C C 13 177.996 0.3 . 1 . . . A 18 TYR C . 19522 1 109 . 1 1 18 18 TYR CA C 13 59.279 0.3 . 1 . . . A 18 TYR CA . 19522 1 110 . 1 1 18 18 TYR CB C 13 36.345 0.3 . 1 . . . A 18 TYR CB . 19522 1 111 . 1 1 18 18 TYR N N 15 124.591 0.3 . 1 . . . A 18 TYR N . 19522 1 112 . 1 1 19 19 LYS H H 1 8.230 0.020 . 1 . . . A 19 LYS H . 19522 1 113 . 1 1 19 19 LYS C C 13 179.841 0.3 . 1 . . . A 19 LYS C . 19522 1 114 . 1 1 19 19 LYS CA C 13 56.083 0.3 . 1 . . . A 19 LYS CA . 19522 1 115 . 1 1 19 19 LYS CB C 13 28.650 0.3 . 1 . . . A 19 LYS CB . 19522 1 116 . 1 1 19 19 LYS N N 15 119.761 0.3 . 1 . . . A 19 LYS N . 19522 1 117 . 1 1 20 20 LEU H H 1 8.534 0.020 . 1 . . . A 20 LEU H . 19522 1 118 . 1 1 20 20 LEU HD11 H 1 0.756 0.020 . 1 . . . A 20 LEU HD1 . 19522 1 119 . 1 1 20 20 LEU HD12 H 1 0.756 0.020 . 1 . . . A 20 LEU HD1 . 19522 1 120 . 1 1 20 20 LEU HD13 H 1 0.756 0.020 . 1 . . . A 20 LEU HD1 . 19522 1 121 . 1 1 20 20 LEU HD21 H 1 0.706 0.020 . 1 . . . A 20 LEU HD2 . 19522 1 122 . 1 1 20 20 LEU HD22 H 1 0.706 0.020 . 1 . . . A 20 LEU HD2 . 19522 1 123 . 1 1 20 20 LEU HD23 H 1 0.706 0.020 . 1 . . . A 20 LEU HD2 . 19522 1 124 . 1 1 20 20 LEU C C 13 179.654 0.3 . 1 . . . A 20 LEU C . 19522 1 125 . 1 1 20 20 LEU CA C 13 57.978 0.3 . 1 . . . A 20 LEU CA . 19522 1 126 . 1 1 20 20 LEU CB C 13 39.438 0.3 . 1 . . . A 20 LEU CB . 19522 1 127 . 1 1 20 20 LEU CD1 C 13 25.656 0.3 . 1 . . . A 20 LEU CD1 . 19522 1 128 . 1 1 20 20 LEU CD2 C 13 25.702 0.3 . 1 . . . A 20 LEU CD2 . 19522 1 129 . 1 1 20 20 LEU N N 15 118.077 0.3 . 1 . . . A 20 LEU N . 19522 1 130 . 1 1 21 21 SER H H 1 8.239 0.020 . 1 . . . A 21 SER H . 19522 1 131 . 1 1 21 21 SER C C 13 178.204 0.3 . 1 . . . A 21 SER C . 19522 1 132 . 1 1 21 21 SER CA C 13 60.375 0.3 . 1 . . . A 21 SER CA . 19522 1 133 . 1 1 21 21 SER CB C 13 61.836 0.3 . 1 . . . A 21 SER CB . 19522 1 134 . 1 1 21 21 SER N N 15 117.073 0.3 . 1 . . . A 21 SER N . 19522 1 135 . 1 1 22 22 GLN H H 1 7.632 0.020 . 1 . . . A 22 GLN H . 19522 1 136 . 1 1 22 22 GLN C C 13 176.997 0.3 . 1 . . . A 22 GLN C . 19522 1 137 . 1 1 22 22 GLN CA C 13 57.578 0.3 . 1 . . . A 22 GLN CA . 19522 1 138 . 1 1 22 22 GLN CB C 13 27.132 0.3 . 1 . . . A 22 GLN CB . 19522 1 139 . 1 1 22 22 GLN N N 15 122.767 0.3 . 1 . . . A 22 GLN N . 19522 1 140 . 1 1 23 23 LYS H H 1 7.167 0.020 . 1 . . . A 23 LYS H . 19522 1 141 . 1 1 23 23 LYS C C 13 175.419 0.3 . 1 . . . A 23 LYS C . 19522 1 142 . 1 1 23 23 LYS CA C 13 52.943 0.3 . 1 . . . A 23 LYS CA . 19522 1 143 . 1 1 23 23 LYS CB C 13 31.048 0.3 . 1 . . . A 23 LYS CB . 19522 1 144 . 1 1 23 23 LYS N N 15 116.016 0.3 . 1 . . . A 23 LYS N . 19522 1 145 . 1 1 24 24 GLY H H 1 7.504 0.020 . 1 . . . A 24 GLY H . 19522 1 146 . 1 1 24 24 GLY C C 13 173.680 0.3 . 1 . . . A 24 GLY C . 19522 1 147 . 1 1 24 24 GLY CA C 13 44.313 0.3 . 1 . . . A 24 GLY CA . 19522 1 148 . 1 1 24 24 GLY N N 15 105.329 0.3 . 1 . . . A 24 GLY N . 19522 1 149 . 1 1 25 25 TYR H H 1 7.817 0.020 . 1 . . . A 25 TYR H . 19522 1 150 . 1 1 25 25 TYR C C 13 174.779 0.3 . 1 . . . A 25 TYR C . 19522 1 151 . 1 1 25 25 TYR CA C 13 57.761 0.3 . 1 . . . A 25 TYR CA . 19522 1 152 . 1 1 25 25 TYR CB C 13 39.301 0.3 . 1 . . . A 25 TYR CB . 19522 1 153 . 1 1 25 25 TYR N N 15 119.528 0.3 . 1 . . . A 25 TYR N . 19522 1 154 . 1 1 26 26 SER H H 1 8.475 0.020 . 1 . . . A 26 SER H . 19522 1 155 . 1 1 26 26 SER C C 13 173.860 0.3 . 1 . . . A 26 SER C . 19522 1 156 . 1 1 26 26 SER CA C 13 56.083 0.3 . 1 . . . A 26 SER CA . 19522 1 157 . 1 1 26 26 SER CB C 13 63.275 0.3 . 1 . . . A 26 SER CB . 19522 1 158 . 1 1 26 26 SER N N 15 115.815 0.3 . 1 . . . A 26 SER N . 19522 1 159 . 1 1 27 27 TRP H H 1 8.720 0.020 . 1 . . . A 27 TRP H . 19522 1 160 . 1 1 27 27 TRP HE1 H 1 10.165 0.020 . 1 . . . A 27 TRP HE1 . 19522 1 161 . 1 1 27 27 TRP C C 13 174.141 0.3 . 1 . . . A 27 TRP C . 19522 1 162 . 1 1 27 27 TRP CA C 13 58.400 0.3 . 1 . . . A 27 TRP CA . 19522 1 163 . 1 1 27 27 TRP CB C 13 29.210 0.3 . 1 . . . A 27 TRP CB . 19522 1 164 . 1 1 27 27 TRP N N 15 126.476 0.3 . 1 . . . A 27 TRP N . 19522 1 165 . 1 1 27 27 TRP NE1 N 15 128.423 0.3 . 1 . . . A 27 TRP NE1 . 19522 1 166 . 1 1 28 28 SER H H 1 8.034 0.020 . 1 . . . A 28 SER H . 19522 1 167 . 1 1 28 28 SER C C 13 172.859 0.3 . 1 . . . A 28 SER C . 19522 1 168 . 1 1 28 28 SER CA C 13 66.186 0.3 . 1 . . . A 28 SER CA . 19522 1 169 . 1 1 28 28 SER CB C 13 61.996 0.3 . 1 . . . A 28 SER CB . 19522 1 170 . 1 1 28 28 SER N N 15 114.011 0.3 . 1 . . . A 28 SER N . 19522 1 171 . 1 1 29 29 GLN H H 1 7.323 0.020 . 1 . . . A 29 GLN H . 19522 1 172 . 1 1 29 29 GLN C C 13 177.250 0.3 . 1 . . . A 29 GLN C . 19522 1 173 . 1 1 29 29 GLN CA C 13 55.170 0.3 . 1 . . . A 29 GLN CA . 19522 1 174 . 1 1 29 29 GLN CB C 13 28.339 0.3 . 1 . . . A 29 GLN CB . 19522 1 175 . 1 1 29 29 GLN N N 15 120.138 0.3 . 1 . . . A 29 GLN N . 19522 1 176 . 1 1 30 30 PHE H H 1 6.778 0.020 . 1 . . . A 30 PHE H . 19522 1 177 . 1 1 30 30 PHE C C 13 176.814 0.3 . 1 . . . A 30 PHE C . 19522 1 178 . 1 1 30 30 PHE CA C 13 56.163 0.3 . 1 . . . A 30 PHE CA . 19522 1 179 . 1 1 30 30 PHE CB C 13 37.840 0.3 . 1 . . . A 30 PHE CB . 19522 1 180 . 1 1 30 30 PHE N N 15 113.775 0.3 . 1 . . . A 30 PHE N . 19522 1 181 . 1 1 31 31 SER H H 1 7.530 0.020 . 1 . . . A 31 SER H . 19522 1 182 . 1 1 31 31 SER C C 13 173.487 0.3 . 1 . . . A 31 SER C . 19522 1 183 . 1 1 31 31 SER CA C 13 57.841 0.3 . 1 . . . A 31 SER CA . 19522 1 184 . 1 1 31 31 SER CB C 13 63.275 0.3 . 1 . . . A 31 SER CB . 19522 1 185 . 1 1 31 31 SER N N 15 113.941 0.3 . 1 . . . A 31 SER N . 19522 1 186 . 1 1 32 32 ASP H H 1 8.223 0.020 . 1 . . . . 32 ASP H . 19522 1 187 . 1 1 32 32 ASP C C 13 175.938 0.3 . 1 . . . . 32 ASP C . 19522 1 188 . 1 1 32 32 ASP CA C 13 53.446 0.3 . 1 . . . . 32 ASP CA . 19522 1 189 . 1 1 32 32 ASP CB C 13 39.701 0.3 . 1 . . . . 32 ASP CB . 19522 1 190 . 1 1 32 32 ASP N N 15 122.131 0.3 . 1 . . . . 32 ASP N . 19522 1 191 . 1 1 33 33 VAL H H 1 7.813 0.020 . 1 . . . . 33 VAL H . 19522 1 192 . 1 1 33 33 VAL HG11 H 1 0.833 0.020 . 1 . . . . 33 VAL HG1 . 19522 1 193 . 1 1 33 33 VAL HG12 H 1 0.833 0.020 . 1 . . . . 33 VAL HG1 . 19522 1 194 . 1 1 33 33 VAL HG13 H 1 0.833 0.020 . 1 . . . . 33 VAL HG1 . 19522 1 195 . 1 1 33 33 VAL HG21 H 1 0.844 0.020 . 1 . . . . 33 VAL HG2 . 19522 1 196 . 1 1 33 33 VAL HG22 H 1 0.844 0.020 . 1 . . . . 33 VAL HG2 . 19522 1 197 . 1 1 33 33 VAL HG23 H 1 0.844 0.020 . 1 . . . . 33 VAL HG2 . 19522 1 198 . 1 1 33 33 VAL C C 13 176.001 0.3 . 1 . . . . 33 VAL C . 19522 1 199 . 1 1 33 33 VAL CA C 13 61.574 0.3 . 1 . . . . 33 VAL CA . 19522 1 200 . 1 1 33 33 VAL CB C 13 31.310 0.3 . 1 . . . . 33 VAL CB . 19522 1 201 . 1 1 33 33 VAL CG1 C 13 19.971 0.3 . 1 . . . . 33 VAL CG1 . 19522 1 202 . 1 1 33 33 VAL CG2 C 13 20.651 0.3 . 1 . . . . 33 VAL CG2 . 19522 1 203 . 1 1 33 33 VAL N N 15 118.703 0.3 . 1 . . . . 33 VAL N . 19522 1 204 . 1 1 34 34 GLU H H 1 8.295 0.020 . 1 . . . . 34 GLU H . 19522 1 205 . 1 1 34 34 GLU C C 13 176.340 0.3 . 1 . . . . 34 GLU C . 19522 1 206 . 1 1 34 34 GLU CA C 13 55.523 0.3 . 1 . . . . 34 GLU CA . 19522 1 207 . 1 1 34 34 GLU CB C 13 28.993 0.3 . 1 . . . . 34 GLU CB . 19522 1 208 . 1 1 34 34 GLU N N 15 123.764 0.3 . 1 . . . . 34 GLU N . 19522 1 209 . 1 1 35 35 GLU H H 1 8.017 0.020 . 1 . . . . 35 GLU H . 19522 1 210 . 1 1 35 35 GLU C C 13 175.838 0.3 . 1 . . . . 35 GLU C . 19522 1 211 . 1 1 35 35 GLU CA C 13 56.163 0.3 . 1 . . . . 35 GLU CA . 19522 1 212 . 1 1 35 35 GLU CB C 13 28.913 0.3 . 1 . . . . 35 GLU CB . 19522 1 213 . 1 1 35 35 GLU N N 15 121.359 0.3 . 1 . . . . 35 GLU N . 19522 1 214 . 1 1 36 36 ASN H H 1 8.355 0.020 . 1 . . . . 36 ASN H . 19522 1 215 . 1 1 36 36 ASN C C 13 174.719 0.3 . 1 . . . . 36 ASN C . 19522 1 216 . 1 1 36 36 ASN CA C 13 52.704 0.3 . 1 . . . . 36 ASN CA . 19522 1 217 . 1 1 36 36 ASN CB C 13 37.680 0.3 . 1 . . . . 36 ASN CB . 19522 1 218 . 1 1 36 36 ASN N N 15 119.106 0.3 . 1 . . . . 36 ASN N . 19522 1 219 . 1 1 37 37 ARG H H 1 8.202 0.020 . 1 . . . . 37 ARG H . 19522 1 220 . 1 1 37 37 ARG C C 13 176.158 0.3 . 1 . . . . 37 ARG C . 19522 1 221 . 1 1 37 37 ARG CA C 13 55.261 0.3 . 1 . . . . 37 ARG CA . 19522 1 222 . 1 1 37 37 ARG CB C 13 29.290 0.3 . 1 . . . . 37 ARG CB . 19522 1 223 . 1 1 37 37 ARG N N 15 121.744 0.3 . 1 . . . . 37 ARG N . 19522 1 224 . 1 1 38 38 THR H H 1 8.165 0.020 . 1 . . . . 38 THR H . 19522 1 225 . 1 1 38 38 THR C C 13 174.120 0.3 . 1 . . . . 38 THR C . 19522 1 226 . 1 1 38 38 THR CA C 13 61.254 0.3 . 1 . . . . 38 THR CA . 19522 1 227 . 1 1 38 38 THR CB C 13 68.686 0.3 . 1 . . . . 38 THR CB . 19522 1 228 . 1 1 38 38 THR N N 15 115.798 0.3 . 1 . . . . 38 THR N . 19522 1 229 . 1 1 39 39 GLU H H 1 8.286 0.020 . 1 . . . . 39 GLU H . 19522 1 230 . 1 1 39 39 GLU C C 13 175.359 0.3 . 1 . . . . 39 GLU C . 19522 1 231 . 1 1 39 39 GLU CA C 13 55.341 0.3 . 1 . . . . 39 GLU CA . 19522 1 232 . 1 1 39 39 GLU CB C 13 29.050 0.3 . 1 . . . . 39 GLU CB . 19522 1 233 . 1 1 39 39 GLU N N 15 123.018 0.3 . 1 . . . . 39 GLU N . 19522 1 234 . 1 1 40 40 ALA H H 1 8.266 0.020 . 1 . . . . 40 ALA H . 19522 1 235 . 1 1 40 40 ALA CA C 13 49.587 0.3 . 1 . . . . 40 ALA CA . 19522 1 236 . 1 1 40 40 ALA CB C 13 16.824 0.3 . 1 . . . . 40 ALA CB . 19522 1 237 . 1 1 40 40 ALA N N 15 126.206 0.3 . 1 . . . . 40 ALA N . 19522 1 238 . 1 1 42 42 GLU H H 1 8.449 0.020 . 1 . . . . 42 GLU H . 19522 1 239 . 1 1 42 42 GLU C C 13 176.857 0.3 . 1 . . . . 42 GLU C . 19522 1 240 . 1 1 42 42 GLU CA C 13 56.322 0.3 . 1 . . . . 42 GLU CA . 19522 1 241 . 1 1 42 42 GLU CB C 13 29.233 0.3 . 1 . . . . 42 GLU CB . 19522 1 242 . 1 1 42 42 GLU N N 15 121.227 0.3 . 1 . . . . 42 GLU N . 19522 1 243 . 1 1 43 43 GLY H H 1 8.404 0.020 . 1 . . . . 43 GLY H . 19522 1 244 . 1 1 43 43 GLY C C 13 174.180 0.3 . 1 . . . . 43 GLY C . 19522 1 245 . 1 1 43 43 GLY CA C 13 44.496 0.3 . 1 . . . . 43 GLY CA . 19522 1 246 . 1 1 43 43 GLY N N 15 110.018 0.3 . 1 . . . . 43 GLY N . 19522 1 247 . 1 1 44 44 THR H H 1 7.960 0.020 . 1 . . . . 44 THR H . 19522 1 248 . 1 1 44 44 THR C C 13 174.599 0.3 . 1 . . . . 44 THR C . 19522 1 249 . 1 1 44 44 THR CA C 13 61.174 0.3 . 1 . . . . 44 THR CA . 19522 1 250 . 1 1 44 44 THR CB C 13 68.766 0.3 . 1 . . . . 44 THR CB . 19522 1 251 . 1 1 44 44 THR N N 15 113.043 0.3 . 1 . . . . 44 THR N . 19522 1 252 . 1 1 45 45 GLU H H 1 8.520 0.020 . 1 . . . . 45 GLU H . 19522 1 253 . 1 1 45 45 GLU C C 13 177.119 0.3 . 1 . . . . 45 GLU C . 19522 1 254 . 1 1 45 45 GLU CA C 13 56.915 0.3 . 1 . . . . 45 GLU CA . 19522 1 255 . 1 1 45 45 GLU CB C 13 28.571 0.3 . 1 . . . . 45 GLU CB . 19522 1 256 . 1 1 45 45 GLU N N 15 122.967 0.3 . 1 . . . . 45 GLU N . 19522 1 257 . 1 1 46 46 SER H H 1 8.044 0.020 . 1 . . . . 46 SER H . 19522 1 258 . 1 1 46 46 SER C C 13 176.105 0.3 . 1 . . . . 46 SER C . 19522 1 259 . 1 1 46 46 SER CA C 13 58.240 0.3 . 1 . . . . 46 SER CA . 19522 1 260 . 1 1 46 46 SER CB C 13 62.236 0.3 . 1 . . . . 46 SER CB . 19522 1 261 . 1 1 46 46 SER N N 15 115.037 0.3 . 1 . . . . 46 SER N . 19522 1 262 . 1 1 47 47 GLU H H 1 8.455 0.020 . 1 . . . . 47 GLU H . 19522 1 263 . 1 1 47 47 GLU C C 13 177.319 0.3 . 1 . . . . 47 GLU C . 19522 1 264 . 1 1 47 47 GLU CA C 13 56.882 0.3 . 1 . . . . 47 GLU CA . 19522 1 265 . 1 1 47 47 GLU CB C 13 27.155 0.3 . 1 . . . . 47 GLU CB . 19522 1 266 . 1 1 47 47 GLU N N 15 122.848 0.3 . 1 . . . . 47 GLU N . 19522 1 267 . 1 1 48 48 MET H H 1 8.112 0.020 . 1 . . . . 48 MET H . 19522 1 268 . 1 1 48 48 MET C C 13 176.280 0.3 . 1 . . . . 48 MET C . 19522 1 269 . 1 1 48 48 MET CA C 13 55.204 0.3 . 1 . . . . 48 MET CA . 19522 1 270 . 1 1 48 48 MET CB C 13 28.993 0.3 . 1 . . . . 48 MET CB . 19522 1 271 . 1 1 48 48 MET N N 15 119.852 0.3 . 1 . . . . 48 MET N . 19522 1 272 . 1 1 49 49 GLU H H 1 8.313 0.020 . 1 . . . . 49 GLU H . 19522 1 273 . 1 1 49 49 GLU C C 13 175.978 0.3 . 1 . . . . 49 GLU C . 19522 1 274 . 1 1 49 49 GLU CA C 13 55.843 0.3 . 1 . . . . 49 GLU CA . 19522 1 275 . 1 1 49 49 GLU CB C 13 28.970 0.3 . 1 . . . . 49 GLU CB . 19522 1 276 . 1 1 49 49 GLU N N 15 121.577 0.3 . 1 . . . . 49 GLU N . 19522 1 277 . 1 1 50 50 THR H H 1 8.150 0.020 . 1 . . . . 50 THR H . 19522 1 278 . 1 1 50 50 THR CA C 13 58.959 0.3 . 1 . . . . 50 THR CA . 19522 1 279 . 1 1 50 50 THR CB C 13 68.606 0.3 . 1 . . . . 50 THR CB . 19522 1 280 . 1 1 50 50 THR N N 15 117.663 0.3 . 1 . . . . 50 THR N . 19522 1 281 . 1 1 52 52 SER H H 1 8.273 0.020 . 1 . . . . 52 SER H . 19522 1 282 . 1 1 52 52 SER C C 13 174.200 0.3 . 1 . . . . 52 SER C . 19522 1 283 . 1 1 52 52 SER CA C 13 57.818 0.3 . 1 . . . . 52 SER CA . 19522 1 284 . 1 1 52 52 SER CB C 13 62.613 0.3 . 1 . . . . 52 SER CB . 19522 1 285 . 1 1 52 52 SER N N 15 115.578 0.3 . 1 . . . . 52 SER N . 19522 1 286 . 1 1 53 53 ALA H H 1 8.198 0.020 . 1 . . . . 53 ALA H . 19522 1 287 . 1 1 53 53 ALA C C 13 177.676 0.3 . 1 . . . . 53 ALA C . 19522 1 288 . 1 1 53 53 ALA CA C 13 51.665 0.3 . 1 . . . . 53 ALA CA . 19522 1 289 . 1 1 53 53 ALA CB C 13 17.783 0.3 . 1 . . . . 53 ALA CB . 19522 1 290 . 1 1 53 53 ALA N N 15 125.481 0.3 . 1 . . . . 53 ALA N . 19522 1 291 . 1 1 54 54 ILE H H 1 7.934 0.020 . 1 . . . . 54 ILE H . 19522 1 292 . 1 1 54 54 ILE HD11 H 1 0.808 0.020 . 1 . . . . 54 ILE HD1 . 19522 1 293 . 1 1 54 54 ILE HD12 H 1 0.808 0.020 . 1 . . . . 54 ILE HD1 . 19522 1 294 . 1 1 54 54 ILE HD13 H 1 0.808 0.020 . 1 . . . . 54 ILE HD1 . 19522 1 295 . 1 1 54 54 ILE C C 13 174.277 0.3 . 1 . . . . 54 ILE C . 19522 1 296 . 1 1 54 54 ILE CA C 13 61.494 0.3 . 1 . . . . 54 ILE CA . 19522 1 297 . 1 1 54 54 ILE CB C 13 37.304 0.3 . 1 . . . . 54 ILE CB . 19522 1 298 . 1 1 54 54 ILE CD1 C 13 12.363 0.3 . 1 . . . . 54 ILE CD1 . 19522 1 299 . 1 1 54 54 ILE N N 15 118.586 0.3 . 1 . . . . 54 ILE N . 19522 1 300 . 1 1 55 55 ASN H H 1 8.340 0.020 . 1 . . . . 55 ASN H . 19522 1 301 . 1 1 55 55 ASN C C 13 175.159 0.3 . 1 . . . . 55 ASN C . 19522 1 302 . 1 1 55 55 ASN CA C 13 52.646 0.3 . 1 . . . . 55 ASN CA . 19522 1 303 . 1 1 55 55 ASN CB C 13 37.783 0.3 . 1 . . . . 55 ASN CB . 19522 1 304 . 1 1 55 55 ASN N N 15 121.388 0.3 . 1 . . . . 55 ASN N . 19522 1 305 . 1 1 56 56 GLY H H 1 8.135 0.020 . 1 . . . . 56 GLY H . 19522 1 306 . 1 1 56 56 GLY C C 13 173.083 0.3 . 1 . . . . 56 GLY C . 19522 1 307 . 1 1 56 56 GLY CA C 13 44.393 0.3 . 1 . . . . 56 GLY CA . 19522 1 308 . 1 1 56 56 GLY N N 15 108.575 0.3 . 1 . . . . 56 GLY N . 19522 1 309 . 1 1 57 57 ASN H H 1 8.023 0.020 . 1 . . . . 57 ASN H . 19522 1 310 . 1 1 57 57 ASN CA C 13 58.115 0.3 . 1 . . . . 57 ASN CA . 19522 1 311 . 1 1 57 57 ASN CB C 13 37.828 0.3 . 1 . . . . 57 ASN CB . 19522 1 312 . 1 1 57 57 ASN N N 15 118.964 0.3 . 1 . . . . 57 ASN N . 19522 1 313 . 1 1 59 59 SER H H 1 8.196 0.020 . 1 . . . . 59 SER H . 19522 1 314 . 1 1 59 59 SER C C 13 174.182 0.3 . 1 . . . . 59 SER C . 19522 1 315 . 1 1 59 59 SER CA C 13 58.217 0.3 . 1 . . . . 59 SER CA . 19522 1 316 . 1 1 59 59 SER CB C 13 62.133 0.3 . 1 . . . . 59 SER CB . 19522 1 317 . 1 1 59 59 SER N N 15 114.720 0.3 . 1 . . . . 59 SER N . 19522 1 318 . 1 1 60 60 TRP H H 1 7.739 0.020 . 1 . . . . 60 TRP H . 19522 1 319 . 1 1 60 60 TRP HE1 H 1 10.044 0.020 . 1 . . . . 60 TRP HE1 . 19522 1 320 . 1 1 60 60 TRP C C 13 177.557 0.3 . 1 . . . . 60 TRP C . 19522 1 321 . 1 1 60 60 TRP CA C 13 56.482 0.3 . 1 . . . . 60 TRP CA . 19522 1 322 . 1 1 60 60 TRP CB C 13 28.274 0.3 . 1 . . . . 60 TRP CB . 19522 1 323 . 1 1 60 60 TRP N N 15 121.715 0.3 . 1 . . . . 60 TRP N . 19522 1 324 . 1 1 60 60 TRP NE1 N 15 129.191 0.3 . 1 . . . . 60 TRP NE1 . 19522 1 325 . 1 1 61 61 HIS H H 1 7.861 0.020 . 1 . . . . 61 HIS H . 19522 1 326 . 1 1 61 61 HIS C C 13 177.557 0.3 . 1 . . . . 61 HIS C . 19522 1 327 . 1 1 61 61 HIS CA C 13 56.379 0.3 . 1 . . . . 61 HIS CA . 19522 1 328 . 1 1 61 61 HIS CB C 13 30.032 0.3 . 1 . . . . 61 HIS CB . 19522 1 329 . 1 1 61 61 HIS N N 15 126.423 0.3 . 1 . . . . 61 HIS N . 19522 1 330 . 1 1 62 62 LEU H H 1 7.807 0.020 . 1 . . . . 62 LEU H . 19522 1 331 . 1 1 62 62 LEU HD11 H 1 0.774 0.020 . 1 . . . . 62 LEU HD1 . 19522 1 332 . 1 1 62 62 LEU HD12 H 1 0.774 0.020 . 1 . . . . 62 LEU HD1 . 19522 1 333 . 1 1 62 62 LEU HD13 H 1 0.774 0.020 . 1 . . . . 62 LEU HD1 . 19522 1 334 . 1 1 62 62 LEU C C 13 176.717 0.3 . 1 . . . . 62 LEU C . 19522 1 335 . 1 1 62 62 LEU CA C 13 53.982 0.3 . 1 . . . . 62 LEU CA . 19522 1 336 . 1 1 62 62 LEU CB C 13 40.477 0.3 . 1 . . . . 62 LEU CB . 19522 1 337 . 1 1 62 62 LEU CD1 C 13 23.127 0.3 . 1 . . . . 62 LEU CD1 . 19522 1 338 . 1 1 62 62 LEU N N 15 122.945 0.3 . 1 . . . . 62 LEU N . 19522 1 339 . 1 1 63 63 ALA H H 1 8.086 0.020 . 1 . . . . 63 ALA H . 19522 1 340 . 1 1 63 63 ALA C C 13 179.954 0.3 . 1 . . . . 63 ALA C . 19522 1 341 . 1 1 63 63 ALA CA C 13 51.448 0.3 . 1 . . . . 63 ALA CA . 19522 1 342 . 1 1 63 63 ALA CB C 13 17.383 0.3 . 1 . . . . 63 ALA CB . 19522 1 343 . 1 1 63 63 ALA N N 15 123.850 0.3 . 1 . . . . 63 ALA N . 19522 1 344 . 1 1 64 64 ASP H H 1 8.100 0.020 . 1 . . . . 64 ASP H . 19522 1 345 . 1 1 64 64 ASP C C 13 175.601 0.3 . 1 . . . . 64 ASP C . 19522 1 346 . 1 1 64 64 ASP CA C 13 53.366 0.3 . 1 . . . . 64 ASP CA . 19522 1 347 . 1 1 64 64 ASP CB C 13 39.941 0.3 . 1 . . . . 64 ASP CB . 19522 1 348 . 1 1 64 64 ASP N N 15 118.641 0.3 . 1 . . . . 64 ASP N . 19522 1 349 . 1 1 65 65 SER H H 1 7.990 0.020 . 1 . . . . 65 SER H . 19522 1 350 . 1 1 65 65 SER CA C 13 55.443 0.3 . 1 . . . . 65 SER CA . 19522 1 351 . 1 1 65 65 SER CB C 13 62.396 0.3 . 1 . . . . 65 SER CB . 19522 1 352 . 1 1 65 65 SER N N 15 116.272 0.3 . 1 . . . . 65 SER N . 19522 1 353 . 1 1 67 67 ALA H H 1 8.169 0.020 . 1 . . . . 67 ALA H . 19522 1 354 . 1 1 67 67 ALA C C 13 175.914 0.3 . 1 . . . . 67 ALA C . 19522 1 355 . 1 1 67 67 ALA CA C 13 51.528 0.3 . 1 . . . . 67 ALA CA . 19522 1 356 . 1 1 67 67 ALA CB C 13 17.566 0.3 . 1 . . . . 67 ALA CB . 19522 1 357 . 1 1 67 67 ALA N N 15 123.345 0.3 . 1 . . . . 67 ALA N . 19522 1 358 . 1 1 68 68 VAL H H 1 7.909 0.020 . 1 . . . . 68 VAL H . 19522 1 359 . 1 1 68 68 VAL HG11 H 1 0.857 0.020 . 1 . . . . 68 VAL HG1 . 19522 1 360 . 1 1 68 68 VAL HG12 H 1 0.857 0.020 . 1 . . . . 68 VAL HG1 . 19522 1 361 . 1 1 68 68 VAL HG13 H 1 0.857 0.020 . 1 . . . . 68 VAL HG1 . 19522 1 362 . 1 1 68 68 VAL CA C 13 61.037 0.3 . 1 . . . . 68 VAL CA . 19522 1 363 . 1 1 68 68 VAL CB C 13 31.310 0.3 . 1 . . . . 68 VAL CB . 19522 1 364 . 1 1 68 68 VAL CG1 C 13 20.825 0.3 . 1 . . . . 68 VAL CG1 . 19522 1 365 . 1 1 68 68 VAL N N 15 118.753 0.3 . 1 . . . . 68 VAL N . 19522 1 366 . 1 1 69 69 ASN H H 1 8.369 0.020 . 1 . . . . 69 ASN H . 19522 1 367 . 1 1 69 69 ASN C C 13 175.399 0.3 . 1 . . . . 69 ASN C . 19522 1 368 . 1 1 69 69 ASN CA C 13 52.726 0.3 . 1 . . . . 69 ASN CA . 19522 1 369 . 1 1 69 69 ASN CB C 13 37.783 0.3 . 1 . . . . 69 ASN CB . 19522 1 370 . 1 1 69 69 ASN N N 15 121.462 0.3 . 1 . . . . 69 ASN N . 19522 1 371 . 1 1 70 70 GLY H H 1 8.248 0.020 . 1 . . . . 70 GLY H . 19522 1 372 . 1 1 70 70 GLY C C 13 177.057 0.3 . 1 . . . . 70 GLY C . 19522 1 373 . 1 1 70 70 GLY CA C 13 44.553 0.3 . 1 . . . . 70 GLY CA . 19522 1 374 . 1 1 70 70 GLY N N 15 109.223 0.3 . 1 . . . . 70 GLY N . 19522 1 375 . 1 1 71 71 ALA H H 1 8.065 0.020 . 1 . . . . 71 ALA H . 19522 1 376 . 1 1 71 71 ALA C C 13 175.459 0.3 . 1 . . . . 71 ALA C . 19522 1 377 . 1 1 71 71 ALA CA C 13 51.767 0.3 . 1 . . . . 71 ALA CA . 19522 1 378 . 1 1 71 71 ALA CB C 13 17.543 0.3 . 1 . . . . 71 ALA CB . 19522 1 379 . 1 1 71 71 ALA N N 15 123.297 0.3 . 1 . . . . 71 ALA N . 19522 1 380 . 1 1 72 72 THR H H 1 8.024 0.020 . 1 . . . . 72 THR H . 19522 1 381 . 1 1 72 72 THR C C 13 174.999 0.3 . 1 . . . . 72 THR C . 19522 1 382 . 1 1 72 72 THR CA C 13 61.094 0.3 . 1 . . . . 72 THR CA . 19522 1 383 . 1 1 72 72 THR CB C 13 68.766 0.3 . 1 . . . . 72 THR CB . 19522 1 384 . 1 1 72 72 THR N N 15 112.143 0.3 . 1 . . . . 72 THR N . 19522 1 385 . 1 1 73 73 GLY H H 1 8.227 0.020 . 1 . . . . 73 GLY H . 19522 1 386 . 1 1 73 73 GLY C C 13 177.297 0.3 . 1 . . . . 73 GLY C . 19522 1 387 . 1 1 73 73 GLY CA C 13 44.473 0.3 . 1 . . . . 73 GLY CA . 19522 1 388 . 1 1 73 73 GLY N N 15 110.366 0.3 . 1 . . . . 73 GLY N . 19522 1 389 . 1 1 74 74 HIS H H 1 7.853 0.020 . 1 . . . . 74 HIS H . 19522 1 390 . 1 1 74 74 HIS C C 13 177.414 0.3 . 1 . . . . 74 HIS C . 19522 1 391 . 1 1 74 74 HIS CA C 13 58.006 0.3 . 1 . . . . 74 HIS CA . 19522 1 392 . 1 1 74 74 HIS CB C 13 27.155 0.3 . 1 . . . . 74 HIS CB . 19522 1 393 . 1 1 74 74 HIS N N 15 117.513 0.3 . 1 . . . . 74 HIS N . 19522 1 394 . 1 1 75 75 SER H H 1 8.169 0.020 . 1 . . . . 75 SER H . 19522 1 395 . 1 1 75 75 SER C C 13 175.832 0.3 . 1 . . . . 75 SER C . 19522 1 396 . 1 1 75 75 SER CA C 13 60.514 0.3 . 1 . . . . 75 SER CA . 19522 1 397 . 1 1 75 75 SER CB C 13 62.156 0.3 . 1 . . . . 75 SER CB . 19522 1 398 . 1 1 75 75 SER N N 15 116.418 0.3 . 1 . . . . 75 SER N . 19522 1 399 . 1 1 76 76 SER H H 1 8.253 0.020 . 1 . . . . 76 SER H . 19522 1 400 . 1 1 76 76 SER C C 13 176.360 0.3 . 1 . . . . 76 SER C . 19522 1 401 . 1 1 76 76 SER CA C 13 60.398 0.3 . 1 . . . . 76 SER CA . 19522 1 402 . 1 1 76 76 SER CB C 13 61.676 0.3 . 1 . . . . 76 SER CB . 19522 1 403 . 1 1 76 76 SER N N 15 117.428 0.3 . 1 . . . . 76 SER N . 19522 1 404 . 1 1 77 77 SER H H 1 8.240 0.020 . 1 . . . . 77 SER H . 19522 1 405 . 1 1 77 77 SER C C 13 174.420 0.3 . 1 . . . . 77 SER C . 19522 1 406 . 1 1 77 77 SER CA C 13 58.160 0.3 . 1 . . . . 77 SER CA . 19522 1 407 . 1 1 77 77 SER CB C 13 62.156 0.3 . 1 . . . . 77 SER CB . 19522 1 408 . 1 1 77 77 SER N N 15 116.656 0.3 . 1 . . . . 77 SER N . 19522 1 409 . 1 1 78 78 LEU H H 1 8.125 0.020 . 1 . . . . 78 LEU H . 19522 1 410 . 1 1 78 78 LEU HD11 H 1 0.785 0.020 . 1 . . . . 78 LEU HD1 . 19522 1 411 . 1 1 78 78 LEU HD12 H 1 0.785 0.020 . 1 . . . . 78 LEU HD1 . 19522 1 412 . 1 1 78 78 LEU HD13 H 1 0.785 0.020 . 1 . . . . 78 LEU HD1 . 19522 1 413 . 1 1 78 78 LEU C C 13 176.960 0.3 . 1 . . . . 78 LEU C . 19522 1 414 . 1 1 78 78 LEU CA C 13 54.484 0.3 . 1 . . . . 78 LEU CA . 19522 1 415 . 1 1 78 78 LEU CB C 13 40.877 0.3 . 1 . . . . 78 LEU CB . 19522 1 416 . 1 1 78 78 LEU CD1 C 13 22.937 0.3 . 1 . . . . 78 LEU CD1 . 19522 1 417 . 1 1 78 78 LEU N N 15 123.323 0.3 . 1 . . . . 78 LEU N . 19522 1 418 . 1 1 79 79 ASP H H 1 8.080 0.020 . 1 . . . . 79 ASP H . 19522 1 419 . 1 1 79 79 ASP C C 13 175.698 0.3 . 1 . . . . 79 ASP C . 19522 1 420 . 1 1 79 79 ASP CA C 13 53.685 0.3 . 1 . . . . 79 ASP CA . 19522 1 421 . 1 1 79 79 ASP CB C 13 40.260 0.3 . 1 . . . . 79 ASP CB . 19522 1 422 . 1 1 79 79 ASP N N 15 120.229 0.3 . 1 . . . . 79 ASP N . 19522 1 423 . 1 1 80 80 ALA H H 1 8.021 0.020 . 1 . . . . 80 ALA H . 19522 1 424 . 1 1 80 80 ALA C C 13 174.240 0.3 . 1 . . . . 80 ALA C . 19522 1 425 . 1 1 80 80 ALA CA C 13 51.745 0.3 . 1 . . . . 80 ALA CA . 19522 1 426 . 1 1 80 80 ALA CB C 13 17.783 0.3 . 1 . . . . 80 ALA CB . 19522 1 427 . 1 1 80 80 ALA N N 15 124.162 0.3 . 1 . . . . 80 ALA N . 19522 1 428 . 1 1 81 81 ARG H H 1 7.988 0.020 . 1 . . . . 81 ARG H . 19522 1 429 . 1 1 81 81 ARG C C 13 175.961 0.3 . 1 . . . . 81 ARG C . 19522 1 430 . 1 1 81 81 ARG CA C 13 60.398 0.3 . 1 . . . . 81 ARG CA . 19522 1 431 . 1 1 81 81 ARG CB C 13 31.390 0.3 . 1 . . . . 81 ARG CB . 19522 1 432 . 1 1 81 81 ARG N N 15 119.064 0.3 . 1 . . . . 81 ARG N . 19522 1 433 . 1 1 82 82 GLU H H 1 8.269 0.020 . 1 . . . . 82 GLU H . 19522 1 434 . 1 1 82 82 GLU C C 13 175.858 0.3 . 1 . . . . 82 GLU C . 19522 1 435 . 1 1 82 82 GLU CA C 13 55.843 0.3 . 1 . . . . 82 GLU CA . 19522 1 436 . 1 1 82 82 GLU CB C 13 28.993 0.3 . 1 . . . . 82 GLU CB . 19522 1 437 . 1 1 82 82 GLU N N 15 121.381 0.3 . 1 . . . . 82 GLU N . 19522 1 438 . 1 1 83 83 VAL H H 1 8.664 0.020 . 1 . . . . 83 VAL H . 19522 1 439 . 1 1 83 83 VAL HG11 H 1 0.831 0.020 . 1 . . . . 83 VAL HG1 . 19522 1 440 . 1 1 83 83 VAL HG12 H 1 0.831 0.020 . 1 . . . . 83 VAL HG1 . 19522 1 441 . 1 1 83 83 VAL HG13 H 1 0.831 0.020 . 1 . . . . 83 VAL HG1 . 19522 1 442 . 1 1 83 83 VAL HG21 H 1 0.889 0.020 . 1 . . . . 83 VAL HG2 . 19522 1 443 . 1 1 83 83 VAL HG22 H 1 0.889 0.020 . 1 . . . . 83 VAL HG2 . 19522 1 444 . 1 1 83 83 VAL HG23 H 1 0.889 0.020 . 1 . . . . 83 VAL HG2 . 19522 1 445 . 1 1 83 83 VAL C C 13 176.340 0.3 . 1 . . . . 83 VAL C . 19522 1 446 . 1 1 83 83 VAL CA C 13 61.197 0.3 . 1 . . . . 83 VAL CA . 19522 1 447 . 1 1 83 83 VAL CB C 13 29.392 0.3 . 1 . . . . 83 VAL CB . 19522 1 448 . 1 1 83 83 VAL CG1 C 13 20.844 0.3 . 1 . . . . 83 VAL CG1 . 19522 1 449 . 1 1 83 83 VAL CG2 C 13 20.263 0.3 . 1 . . . . 83 VAL CG2 . 19522 1 450 . 1 1 83 83 VAL N N 15 122.576 0.3 . 1 . . . . 83 VAL N . 19522 1 451 . 1 1 84 84 ILE H H 1 8.282 0.020 . 1 . . . . 84 ILE H . 19522 1 452 . 1 1 84 84 ILE HD11 H 1 0.785 0.020 . 1 . . . . 84 ILE HD1 . 19522 1 453 . 1 1 84 84 ILE HD12 H 1 0.785 0.020 . 1 . . . . 84 ILE HD1 . 19522 1 454 . 1 1 84 84 ILE HD13 H 1 0.785 0.020 . 1 . . . . 84 ILE HD1 . 19522 1 455 . 1 1 84 84 ILE CA C 13 57.738 0.3 . 1 . . . . 84 ILE CA . 19522 1 456 . 1 1 84 84 ILE CB C 13 37.121 0.3 . 1 . . . . 84 ILE CB . 19522 1 457 . 1 1 84 84 ILE CD1 C 13 12.480 0.3 . 1 . . . . 84 ILE CD1 . 19522 1 458 . 1 1 84 84 ILE N N 15 125.510 0.3 . 1 . . . . 84 ILE N . 19522 1 459 . 1 1 86 86 MET H H 1 8.264 0.020 . 1 . . . A 86 MET H . 19522 1 460 . 1 1 86 86 MET C C 13 174.882 0.3 . 1 . . . A 86 MET C . 19522 1 461 . 1 1 86 86 MET CA C 13 55.580 0.3 . 1 . . . A 86 MET CA . 19522 1 462 . 1 1 86 86 MET CB C 13 28.890 0.3 . 1 . . . A 86 MET CB . 19522 1 463 . 1 1 86 86 MET N N 15 121.740 0.3 . 1 . . . A 86 MET N . 19522 1 464 . 1 1 87 87 ALA H H 1 8.079 0.020 . 1 . . . A 87 ALA H . 19522 1 465 . 1 1 87 87 ALA C C 13 175.941 0.3 . 1 . . . A 87 ALA C . 19522 1 466 . 1 1 87 87 ALA CA C 13 49.850 0.3 . 1 . . . A 87 ALA CA . 19522 1 467 . 1 1 87 87 ALA CB C 13 17.566 0.3 . 1 . . . A 87 ALA CB . 19522 1 468 . 1 1 87 87 ALA N N 15 124.732 0.3 . 1 . . . A 87 ALA N . 19522 1 469 . 1 1 88 88 ALA H H 1 7.951 0.020 . 1 . . . A 88 ALA H . 19522 1 470 . 1 1 88 88 ALA C C 13 177.523 0.3 . 1 . . . A 88 ALA C . 19522 1 471 . 1 1 88 88 ALA CA C 13 56.151 0.3 . 1 . . . A 88 ALA CA . 19522 1 472 . 1 1 88 88 ALA CB C 13 17.463 0.3 . 1 . . . A 88 ALA CB . 19522 1 473 . 1 1 88 88 ALA N N 15 121.664 0.3 . 1 . . . A 88 ALA N . 19522 1 474 . 1 1 89 89 VAL H H 1 8.161 0.020 . 1 . . . A 89 VAL H . 19522 1 475 . 1 1 89 89 VAL HG11 H 1 0.274 0.020 . 1 . . . A 89 VAL HG1 . 19522 1 476 . 1 1 89 89 VAL HG12 H 1 0.274 0.020 . 1 . . . A 89 VAL HG1 . 19522 1 477 . 1 1 89 89 VAL HG13 H 1 0.274 0.020 . 1 . . . A 89 VAL HG1 . 19522 1 478 . 1 1 89 89 VAL HG21 H 1 0.471 0.020 . 1 . . . A 89 VAL HG2 . 19522 1 479 . 1 1 89 89 VAL HG22 H 1 0.471 0.020 . 1 . . . A 89 VAL HG2 . 19522 1 480 . 1 1 89 89 VAL HG23 H 1 0.471 0.020 . 1 . . . A 89 VAL HG2 . 19522 1 481 . 1 1 89 89 VAL C C 13 176.857 0.3 . 1 . . . A 89 VAL C . 19522 1 482 . 1 1 89 89 VAL CA C 13 61.836 0.3 . 1 . . . A 89 VAL CA . 19522 1 483 . 1 1 89 89 VAL CB C 13 31.071 0.3 . 1 . . . A 89 VAL CB . 19522 1 484 . 1 1 89 89 VAL CG1 C 13 19.881 0.3 . 1 . . . A 89 VAL CG1 . 19522 1 485 . 1 1 89 89 VAL CG2 C 13 22.282 0.3 . 1 . . . A 89 VAL CG2 . 19522 1 486 . 1 1 89 89 VAL N N 15 119.415 0.3 . 1 . . . A 89 VAL N . 19522 1 487 . 1 1 90 90 LYS H H 1 8.529 0.020 . 1 . . . A 90 LYS H . 19522 1 488 . 1 1 90 90 LYS C C 13 175.559 0.3 . 1 . . . A 90 LYS C . 19522 1 489 . 1 1 90 90 LYS CA C 13 56.083 0.3 . 1 . . . A 90 LYS CA . 19522 1 490 . 1 1 90 90 LYS CB C 13 28.913 0.3 . 1 . . . A 90 LYS CB . 19522 1 491 . 1 1 90 90 LYS N N 15 121.221 0.3 . 1 . . . A 90 LYS N . 19522 1 492 . 1 1 91 91 GLN H H 1 7.973 0.020 . 1 . . . A 91 GLN H . 19522 1 493 . 1 1 91 91 GLN C C 13 176.950 0.3 . 1 . . . A 91 GLN C . 19522 1 494 . 1 1 91 91 GLN CA C 13 57.921 0.3 . 1 . . . A 91 GLN CA . 19522 1 495 . 1 1 91 91 GLN CB C 13 27.235 0.3 . 1 . . . A 91 GLN CB . 19522 1 496 . 1 1 91 91 GLN N N 15 115.879 0.3 . 1 . . . A 91 GLN N . 19522 1 497 . 1 1 92 92 ALA H H 1 7.661 0.020 . 1 . . . A 92 ALA H . 19522 1 498 . 1 1 92 92 ALA C C 13 179.537 0.3 . 1 . . . A 92 ALA C . 19522 1 499 . 1 1 92 92 ALA CA C 13 54.245 0.3 . 1 . . . A 92 ALA CA . 19522 1 500 . 1 1 92 92 ALA CB C 13 16.767 0.3 . 1 . . . A 92 ALA CB . 19522 1 501 . 1 1 92 92 ALA N N 15 119.538 0.3 . 1 . . . A 92 ALA N . 19522 1 502 . 1 1 93 93 LEU H H 1 8.544 0.020 . 1 . . . A 93 LEU H . 19522 1 503 . 1 1 93 93 LEU HD11 H 1 -0.423 0.020 . 1 . . . A 93 LEU HD1 . 19522 1 504 . 1 1 93 93 LEU HD12 H 1 -0.423 0.020 . 1 . . . A 93 LEU HD1 . 19522 1 505 . 1 1 93 93 LEU HD13 H 1 -0.423 0.020 . 1 . . . A 93 LEU HD1 . 19522 1 506 . 1 1 93 93 LEU HD21 H 1 0.099 0.020 . 1 . . . A 93 LEU HD2 . 19522 1 507 . 1 1 93 93 LEU HD22 H 1 0.099 0.020 . 1 . . . A 93 LEU HD2 . 19522 1 508 . 1 1 93 93 LEU HD23 H 1 0.099 0.020 . 1 . . . A 93 LEU HD2 . 19522 1 509 . 1 1 93 93 LEU C C 13 179.075 0.3 . 1 . . . A 93 LEU C . 19522 1 510 . 1 1 93 93 LEU CA C 13 57.787 0.3 . 1 . . . A 93 LEU CA . 19522 1 511 . 1 1 93 93 LEU CB C 13 40.557 0.3 . 1 . . . A 93 LEU CB . 19522 1 512 . 1 1 93 93 LEU CD1 C 13 22.806 0.3 . 1 . . . A 93 LEU CD1 . 19522 1 513 . 1 1 93 93 LEU CD2 C 13 23.163 0.3 . 1 . . . A 93 LEU CD2 . 19522 1 514 . 1 1 93 93 LEU N N 15 120.236 0.3 . 1 . . . A 93 LEU N . 19522 1 515 . 1 1 94 94 ARG H H 1 8.057 0.020 . 1 . . . A 94 ARG H . 19522 1 516 . 1 1 94 94 ARG C C 13 178.396 0.3 . 1 . . . A 94 ARG C . 19522 1 517 . 1 1 94 94 ARG CA C 13 59.736 0.3 . 1 . . . A 94 ARG CA . 19522 1 518 . 1 1 94 94 ARG CB C 13 28.091 0.3 . 1 . . . A 94 ARG CB . 19522 1 519 . 1 1 94 94 ARG N N 15 118.361 0.3 . 1 . . . A 94 ARG N . 19522 1 520 . 1 1 95 95 GLU H H 1 7.737 0.020 . 1 . . . A 95 GLU H . 19522 1 521 . 1 1 95 95 GLU C C 13 179.794 0.3 . 1 . . . A 95 GLU C . 19522 1 522 . 1 1 95 95 GLU CA C 13 58.217 0.3 . 1 . . . A 95 GLU CA . 19522 1 523 . 1 1 95 95 GLU CB C 13 28.091 0.3 . 1 . . . A 95 GLU CB . 19522 1 524 . 1 1 95 95 GLU N N 15 115.851 0.3 . 1 . . . A 95 GLU N . 19522 1 525 . 1 1 96 96 ALA H H 1 8.824 0.020 . 1 . . . A 96 ALA H . 19522 1 526 . 1 1 96 96 ALA C C 13 181.313 0.3 . 1 . . . A 96 ALA C . 19522 1 527 . 1 1 96 96 ALA CA C 13 54.302 0.3 . 1 . . . A 96 ALA CA . 19522 1 528 . 1 1 96 96 ALA CB C 13 17.703 0.3 . 1 . . . A 96 ALA CB . 19522 1 529 . 1 1 96 96 ALA N N 15 122.958 0.3 . 1 . . . A 96 ALA N . 19522 1 530 . 1 1 97 97 GLY H H 1 9.088 0.020 . 1 . . . A 97 GLY H . 19522 1 531 . 1 1 97 97 GLY C C 13 178.177 0.3 . 1 . . . A 97 GLY C . 19522 1 532 . 1 1 97 97 GLY CA C 13 45.991 0.3 . 1 . . . A 97 GLY CA . 19522 1 533 . 1 1 97 97 GLY N N 15 108.363 0.3 . 1 . . . A 97 GLY N . 19522 1 534 . 1 1 98 98 ASP H H 1 8.102 0.020 . 1 . . . A 98 ASP H . 19522 1 535 . 1 1 98 98 ASP C C 13 178.715 0.3 . 1 . . . A 98 ASP C . 19522 1 536 . 1 1 98 98 ASP CA C 13 57.019 0.3 . 1 . . . A 98 ASP CA . 19522 1 537 . 1 1 98 98 ASP CB C 13 38.479 0.3 . 1 . . . A 98 ASP CB . 19522 1 538 . 1 1 98 98 ASP N N 15 122.197 0.3 . 1 . . . A 98 ASP N . 19522 1 539 . 1 1 99 99 GLU H H 1 8.115 0.020 . 1 . . . A 99 GLU H . 19522 1 540 . 1 1 99 99 GLU C C 13 179.513 0.3 . 1 . . . A 99 GLU C . 19522 1 541 . 1 1 99 99 GLU CA C 13 53.752 0.3 . 1 . . . A 99 GLU CA . 19522 1 542 . 1 1 99 99 GLU CB C 13 28.491 0.3 . 1 . . . A 99 GLU CB . 19522 1 543 . 1 1 99 99 GLU N N 15 120.103 0.3 . 1 . . . A 99 GLU N . 19522 1 544 . 1 1 100 100 PHE H H 1 8.535 0.020 . 1 . . . A 100 PHE H . 19522 1 545 . 1 1 100 100 PHE C C 13 178.618 0.3 . 1 . . . A 100 PHE C . 19522 1 546 . 1 1 100 100 PHE CA C 13 57.460 0.3 . 1 . . . A 100 PHE CA . 19522 1 547 . 1 1 100 100 PHE CB C 13 40.336 0.3 . 1 . . . A 100 PHE CB . 19522 1 548 . 1 1 100 100 PHE N N 15 120.218 0.3 . 1 . . . A 100 PHE N . 19522 1 549 . 1 1 101 101 GLU H H 1 8.032 0.020 . 1 . . . A 101 GLU H . 19522 1 550 . 1 1 101 101 GLU C C 13 177.339 0.3 . 1 . . . A 101 GLU C . 19522 1 551 . 1 1 101 101 GLU CA C 13 57.601 0.3 . 1 . . . A 101 GLU CA . 19522 1 552 . 1 1 101 101 GLU CB C 13 28.593 0.3 . 1 . . . A 101 GLU CB . 19522 1 553 . 1 1 101 101 GLU N N 15 117.531 0.3 . 1 . . . A 101 GLU N . 19522 1 554 . 1 1 102 102 LEU H H 1 7.369 0.020 . 1 . . . A 102 LEU H . 19522 1 555 . 1 1 102 102 LEU HD11 H 1 0.830 0.020 . 1 . . . A 102 LEU HD1 . 19522 1 556 . 1 1 102 102 LEU HD12 H 1 0.830 0.020 . 1 . . . A 102 LEU HD1 . 19522 1 557 . 1 1 102 102 LEU HD13 H 1 0.830 0.020 . 1 . . . A 102 LEU HD1 . 19522 1 558 . 1 1 102 102 LEU HD21 H 1 0.539 0.020 . 1 . . . A 102 LEU HD2 . 19522 1 559 . 1 1 102 102 LEU HD22 H 1 0.539 0.020 . 1 . . . A 102 LEU HD2 . 19522 1 560 . 1 1 102 102 LEU HD23 H 1 0.539 0.020 . 1 . . . A 102 LEU HD2 . 19522 1 561 . 1 1 102 102 LEU CA C 13 56.588 0.3 . 1 . . . A 102 LEU CA . 19522 1 562 . 1 1 102 102 LEU CB C 13 40.773 0.3 . 1 . . . A 102 LEU CB . 19522 1 563 . 1 1 102 102 LEU CD1 C 13 23.801 0.3 . 1 . . . A 102 LEU CD1 . 19522 1 564 . 1 1 102 102 LEU CD2 C 13 25.051 0.3 . 1 . . . A 102 LEU CD2 . 19522 1 565 . 1 1 102 102 LEU N N 15 116.641 0.3 . 1 . . . A 102 LEU N . 19522 1 566 . 1 1 103 103 ARG H H 1 7.472 0.020 . 1 . . . A 103 ARG H . 19522 1 567 . 1 1 103 103 ARG C C 13 177.605 0.3 . 1 . . . A 103 ARG C . 19522 1 568 . 1 1 103 103 ARG CA C 13 58.987 0.3 . 1 . . . A 103 ARG CA . 19522 1 569 . 1 1 103 103 ARG CB C 13 31.150 0.3 . 1 . . . A 103 ARG CB . 19522 1 570 . 1 1 103 103 ARG N N 15 115.854 0.3 . 1 . . . A 103 ARG N . 19522 1 571 . 1 1 104 104 TYR H H 1 7.904 0.020 . 1 . . . A 104 TYR H . 19522 1 572 . 1 1 104 104 TYR C C 13 174.962 0.3 . 1 . . . A 104 TYR C . 19522 1 573 . 1 1 104 104 TYR CA C 13 60.841 0.3 . 1 . . . A 104 TYR CA . 19522 1 574 . 1 1 104 104 TYR CB C 13 36.628 0.3 . 1 . . . A 104 TYR CB . 19522 1 575 . 1 1 104 104 TYR N N 15 119.078 0.3 . 1 . . . A 104 TYR N . 19522 1 576 . 1 1 105 105 ARG H H 1 7.195 0.020 . 1 . . . A 105 ARG H . 19522 1 577 . 1 1 105 105 ARG C C 13 178.395 0.3 . 1 . . . A 105 ARG C . 19522 1 578 . 1 1 105 105 ARG CA C 13 57.921 0.3 . 1 . . . A 105 ARG CA . 19522 1 579 . 1 1 105 105 ARG CB C 13 27.794 0.3 . 1 . . . A 105 ARG CB . 19522 1 580 . 1 1 105 105 ARG N N 15 119.378 0.3 . 1 . . . A 105 ARG N . 19522 1 581 . 1 1 106 106 ARG H H 1 8.452 0.020 . 1 . . . A 106 ARG H . 19522 1 582 . 1 1 106 106 ARG C C 13 177.257 0.3 . 1 . . . A 106 ARG C . 19522 1 583 . 1 1 106 106 ARG CA C 13 56.915 0.3 . 1 . . . A 106 ARG CA . 19522 1 584 . 1 1 106 106 ARG CB C 13 27.554 0.3 . 1 . . . A 106 ARG CB . 19522 1 585 . 1 1 106 106 ARG N N 15 118.875 0.3 . 1 . . . A 106 ARG N . 19522 1 586 . 1 1 107 107 ALA H H 1 7.839 0.020 . 1 . . . A 107 ALA H . 19522 1 587 . 1 1 107 107 ALA C C 13 175.701 0.3 . 1 . . . A 107 ALA C . 19522 1 588 . 1 1 107 107 ALA CA C 13 54.644 0.3 . 1 . . . A 107 ALA CA . 19522 1 589 . 1 1 107 107 ALA CB C 13 17.063 0.3 . 1 . . . A 107 ALA CB . 19522 1 590 . 1 1 107 107 ALA N N 15 121.864 0.3 . 1 . . . A 107 ALA N . 19522 1 591 . 1 1 108 108 PHE H H 1 8.392 0.020 . 1 . . . A 108 PHE H . 19522 1 592 . 1 1 108 108 PHE C C 13 174.982 0.3 . 1 . . . A 108 PHE C . 19522 1 593 . 1 1 108 108 PHE CA C 13 57.042 0.3 . 1 . . . A 108 PHE CA . 19522 1 594 . 1 1 108 108 PHE CB C 13 39.838 0.3 . 1 . . . A 108 PHE CB . 19522 1 595 . 1 1 108 108 PHE N N 15 121.984 0.3 . 1 . . . A 108 PHE N . 19522 1 596 . 1 1 109 109 SER H H 1 7.810 0.020 . 1 . . . A 109 SER H . 19522 1 597 . 1 1 109 109 SER C C 13 175.421 0.3 . 1 . . . A 109 SER C . 19522 1 598 . 1 1 109 109 SER CA C 13 55.044 0.3 . 1 . . . A 109 SER CA . 19522 1 599 . 1 1 109 109 SER CB C 13 63.241 0.3 . 1 . . . A 109 SER CB . 19522 1 600 . 1 1 109 109 SER N N 15 114.585 0.3 . 1 . . . A 109 SER N . 19522 1 601 . 1 1 110 110 ASP H H 1 8.380 0.020 . 1 . . . A 110 ASP H . 19522 1 602 . 1 1 110 110 ASP C C 13 178.196 0.3 . 1 . . . A 110 ASP C . 19522 1 603 . 1 1 110 110 ASP CA C 13 55.980 0.3 . 1 . . . A 110 ASP CA . 19522 1 604 . 1 1 110 110 ASP CB C 13 37.840 0.3 . 1 . . . A 110 ASP CB . 19522 1 605 . 1 1 110 110 ASP N N 15 119.725 0.3 . 1 . . . A 110 ASP N . 19522 1 606 . 1 1 111 111 LEU H H 1 7.783 0.020 . 1 . . . A 111 LEU H . 19522 1 607 . 1 1 111 111 LEU HD11 H 1 0.582 0.020 . 1 . . . A 111 LEU HD1 . 19522 1 608 . 1 1 111 111 LEU HD12 H 1 0.582 0.020 . 1 . . . A 111 LEU HD1 . 19522 1 609 . 1 1 111 111 LEU HD13 H 1 0.582 0.020 . 1 . . . A 111 LEU HD1 . 19522 1 610 . 1 1 111 111 LEU HD21 H 1 0.533 0.020 . 1 . . . A 111 LEU HD2 . 19522 1 611 . 1 1 111 111 LEU HD22 H 1 0.533 0.020 . 1 . . . A 111 LEU HD2 . 19522 1 612 . 1 1 111 111 LEU HD23 H 1 0.533 0.020 . 1 . . . A 111 LEU HD2 . 19522 1 613 . 1 1 111 111 LEU C C 13 178.804 0.3 . 1 . . . A 111 LEU C . 19522 1 614 . 1 1 111 111 LEU CA C 13 57.099 0.3 . 1 . . . A 111 LEU CA . 19522 1 615 . 1 1 111 111 LEU CB C 13 40.797 0.3 . 1 . . . A 111 LEU CB . 19522 1 616 . 1 1 111 111 LEU CD1 C 13 23.856 0.3 . 1 . . . A 111 LEU CD1 . 19522 1 617 . 1 1 111 111 LEU CD2 C 13 23.784 0.3 . 1 . . . A 111 LEU CD2 . 19522 1 618 . 1 1 111 111 LEU N N 15 120.827 0.3 . 1 . . . A 111 LEU N . 19522 1 619 . 1 1 112 112 THR H H 1 8.331 0.020 . 1 . . . A 112 THR H . 19522 1 620 . 1 1 112 112 THR C C 13 177.157 0.3 . 1 . . . A 112 THR C . 19522 1 621 . 1 1 112 112 THR CA C 13 64.690 0.3 . 1 . . . A 112 THR CA . 19522 1 622 . 1 1 112 112 THR CB C 13 67.407 0.3 . 1 . . . A 112 THR CB . 19522 1 623 . 1 1 112 112 THR N N 15 109.101 0.3 . 1 . . . A 112 THR N . 19522 1 624 . 1 1 113 113 SER H H 1 7.645 0.020 . 1 . . . A 113 SER H . 19522 1 625 . 1 1 113 113 SER C C 13 175.319 0.3 . 1 . . . A 113 SER C . 19522 1 626 . 1 1 113 113 SER CA C 13 59.736 0.3 . 1 . . . A 113 SER CA . 19522 1 627 . 1 1 113 113 SER CB C 13 62.213 0.3 . 1 . . . A 113 SER CB . 19522 1 628 . 1 1 113 113 SER N N 15 115.811 0.3 . 1 . . . A 113 SER N . 19522 1 629 . 1 1 114 114 GLN H H 1 7.614 0.020 . 1 . . . A 114 GLN H . 19522 1 630 . 1 1 114 114 GLN C C 13 175.978 0.3 . 1 . . . A 114 GLN C . 19522 1 631 . 1 1 114 114 GLN CA C 13 56.459 0.3 . 1 . . . A 114 GLN CA . 19522 1 632 . 1 1 114 114 GLN CB C 13 28.011 0.3 . 1 . . . A 114 GLN CB . 19522 1 633 . 1 1 114 114 GLN N N 15 118.421 0.3 . 1 . . . A 114 GLN N . 19522 1 634 . 1 1 115 115 LEU H H 1 7.383 0.020 . 1 . . . A 115 LEU H . 19522 1 635 . 1 1 115 115 LEU HD11 H 1 0.505 0.020 . 1 . . . A 115 LEU HD1 . 19522 1 636 . 1 1 115 115 LEU HD12 H 1 0.505 0.020 . 1 . . . A 115 LEU HD1 . 19522 1 637 . 1 1 115 115 LEU HD13 H 1 0.505 0.020 . 1 . . . A 115 LEU HD1 . 19522 1 638 . 1 1 115 115 LEU HD21 H 1 0.855 0.020 . 1 . . . A 115 LEU HD2 . 19522 1 639 . 1 1 115 115 LEU HD22 H 1 0.855 0.020 . 1 . . . A 115 LEU HD2 . 19522 1 640 . 1 1 115 115 LEU HD23 H 1 0.855 0.020 . 1 . . . A 115 LEU HD2 . 19522 1 641 . 1 1 115 115 LEU C C 13 176.198 0.3 . 1 . . . A 115 LEU C . 19522 1 642 . 1 1 115 115 LEU CA C 13 54.804 0.3 . 1 . . . A 115 LEU CA . 19522 1 643 . 1 1 115 115 LEU CB C 13 42.555 0.3 . 1 . . . A 115 LEU CB . 19522 1 644 . 1 1 115 115 LEU CD1 C 13 23.799 0.3 . 1 . . . A 115 LEU CD1 . 19522 1 645 . 1 1 115 115 LEU CD2 C 13 23.992 0.3 . 1 . . . A 115 LEU CD2 . 19522 1 646 . 1 1 115 115 LEU N N 15 118.236 0.3 . 1 . . . A 115 LEU N . 19522 1 647 . 1 1 116 116 HIS H H 1 8.158 0.020 . 1 . . . A 116 HIS H . 19522 1 648 . 1 1 116 116 HIS C C 13 174.122 0.3 . 1 . . . A 116 HIS C . 19522 1 649 . 1 1 116 116 HIS CA C 13 56.379 0.3 . 1 . . . A 116 HIS CA . 19522 1 650 . 1 1 116 116 HIS CB C 13 28.251 0.3 . 1 . . . A 116 HIS CB . 19522 1 651 . 1 1 116 116 HIS N N 15 119.694 0.3 . 1 . . . A 116 HIS N . 19522 1 652 . 1 1 117 117 ILE H H 1 8.658 0.020 . 1 . . . A 117 ILE H . 19522 1 653 . 1 1 117 117 ILE HD11 H 1 0.863 0.020 . 1 . . . A 117 ILE HD1 . 19522 1 654 . 1 1 117 117 ILE HD12 H 1 0.863 0.020 . 1 . . . A 117 ILE HD1 . 19522 1 655 . 1 1 117 117 ILE HD13 H 1 0.863 0.020 . 1 . . . A 117 ILE HD1 . 19522 1 656 . 1 1 117 117 ILE C C 13 176.377 0.3 . 1 . . . A 117 ILE C . 19522 1 657 . 1 1 117 117 ILE CA C 13 60.717 0.3 . 1 . . . A 117 ILE CA . 19522 1 658 . 1 1 117 117 ILE CB C 13 37.224 0.3 . 1 . . . A 117 ILE CB . 19522 1 659 . 1 1 117 117 ILE CD1 C 13 13.394 0.3 . 1 . . . A 117 ILE CD1 . 19522 1 660 . 1 1 117 117 ILE N N 15 122.347 0.3 . 1 . . . A 117 ILE N . 19522 1 661 . 1 1 118 118 THR H H 1 8.227 0.020 . 1 . . . A 118 THR H . 19522 1 662 . 1 1 118 118 THR CA C 13 57.921 0.3 . 1 . . . A 118 THR CA . 19522 1 663 . 1 1 118 118 THR CB C 13 63.434 0.3 . 1 . . . A 118 THR CB . 19522 1 664 . 1 1 118 118 THR N N 15 115.798 0.3 . 1 . . . A 118 THR N . 19522 1 665 . 1 1 120 120 GLY H H 1 8.429 0.020 . 1 . . . A 120 GLY H . 19522 1 666 . 1 1 120 120 GLY C C 13 180.495 0.3 . 1 . . . A 120 GLY C . 19522 1 667 . 1 1 120 120 GLY CA C 13 44.393 0.3 . 1 . . . A 120 GLY CA . 19522 1 668 . 1 1 120 120 GLY N N 15 109.574 0.3 . 1 . . . A 120 GLY N . 19522 1 669 . 1 1 121 121 THR H H 1 7.774 0.020 . 1 . . . A 121 THR H . 19522 1 670 . 1 1 121 121 THR C C 13 178.096 0.3 . 1 . . . A 121 THR C . 19522 1 671 . 1 1 121 121 THR CA C 13 62.041 0.3 . 1 . . . A 121 THR CA . 19522 1 672 . 1 1 121 121 THR CB C 13 63.994 0.3 . 1 . . . A 121 THR CB . 19522 1 673 . 1 1 121 121 THR N N 15 113.419 0.3 . 1 . . . A 121 THR N . 19522 1 674 . 1 1 122 122 ALA H H 1 7.944 0.020 . 1 . . . A 122 ALA H . 19522 1 675 . 1 1 122 122 ALA C C 13 177.397 0.3 . 1 . . . A 122 ALA C . 19522 1 676 . 1 1 122 122 ALA CA C 13 52.624 0.3 . 1 . . . A 122 ALA CA . 19522 1 677 . 1 1 122 122 ALA CB C 13 18.525 0.3 . 1 . . . A 122 ALA CB . 19522 1 678 . 1 1 122 122 ALA N N 15 121.876 0.3 . 1 . . . A 122 ALA N . 19522 1 679 . 1 1 123 123 TYR H H 1 8.748 0.020 . 1 . . . A 123 TYR H . 19522 1 680 . 1 1 123 123 TYR C C 13 176.060 0.3 . 1 . . . A 123 TYR C . 19522 1 681 . 1 1 123 123 TYR CA C 13 60.055 0.3 . 1 . . . A 123 TYR CA . 19522 1 682 . 1 1 123 123 TYR CB C 13 36.482 0.3 . 1 . . . A 123 TYR CB . 19522 1 683 . 1 1 123 123 TYR N N 15 120.931 0.3 . 1 . . . A 123 TYR N . 19522 1 684 . 1 1 124 124 GLN H H 1 8.454 0.020 . 1 . . . A 124 GLN H . 19522 1 685 . 1 1 124 124 GLN C C 13 178.098 0.3 . 1 . . . A 124 GLN C . 19522 1 686 . 1 1 124 124 GLN CA C 13 58.640 0.3 . 1 . . . A 124 GLN CA . 19522 1 687 . 1 1 124 124 GLN CB C 13 26.516 0.3 . 1 . . . A 124 GLN CB . 19522 1 688 . 1 1 124 124 GLN N N 15 115.002 0.3 . 1 . . . A 124 GLN N . 19522 1 689 . 1 1 125 125 SER H H 1 7.283 0.020 . 1 . . . A 125 SER H . 19522 1 690 . 1 1 125 125 SER C C 13 179.557 0.3 . 1 . . . A 125 SER C . 19522 1 691 . 1 1 125 125 SER CA C 13 61.357 0.3 . 1 . . . A 125 SER CA . 19522 1 692 . 1 1 125 125 SER CB C 13 61.357 0.3 . 1 . . . A 125 SER CB . 19522 1 693 . 1 1 125 125 SER N N 15 114.135 0.3 . 1 . . . A 125 SER N . 19522 1 694 . 1 1 126 126 PHE H H 1 6.606 0.020 . 1 . . . A 126 PHE H . 19522 1 695 . 1 1 126 126 PHE C C 13 174.879 0.3 . 1 . . . A 126 PHE C . 19522 1 696 . 1 1 126 126 PHE CA C 13 61.117 0.3 . 1 . . . A 126 PHE CA . 19522 1 697 . 1 1 126 126 PHE CB C 13 37.703 0.3 . 1 . . . A 126 PHE CB . 19522 1 698 . 1 1 126 126 PHE N N 15 113.327 0.3 . 1 . . . A 126 PHE N . 19522 1 699 . 1 1 127 127 GLU H H 1 8.546 0.020 . 1 . . . A 127 GLU H . 19522 1 700 . 1 1 127 127 GLU C C 13 176.857 0.3 . 1 . . . A 127 GLU C . 19522 1 701 . 1 1 127 127 GLU CA C 13 58.058 0.3 . 1 . . . A 127 GLU CA . 19522 1 702 . 1 1 127 127 GLU CB C 13 28.890 0.3 . 1 . . . A 127 GLU CB . 19522 1 703 . 1 1 127 127 GLU N N 15 119.398 0.3 . 1 . . . A 127 GLU N . 19522 1 704 . 1 1 128 128 GLN H H 1 7.525 0.020 . 1 . . . A 128 GLN H . 19522 1 705 . 1 1 128 128 GLN C C 13 178.356 0.3 . 1 . . . A 128 GLN C . 19522 1 706 . 1 1 128 128 GLN CA C 13 58.080 0.3 . 1 . . . A 128 GLN CA . 19522 1 707 . 1 1 128 128 GLN CB C 13 26.995 0.3 . 1 . . . A 128 GLN CB . 19522 1 708 . 1 1 128 128 GLN N N 15 114.754 0.3 . 1 . . . A 128 GLN N . 19522 1 709 . 1 1 129 129 VAL H H 1 7.036 0.020 . 1 . . . A 129 VAL H . 19522 1 710 . 1 1 129 129 VAL HG11 H 1 0.938 0.020 . 1 . . . A 129 VAL HG1 . 19522 1 711 . 1 1 129 129 VAL HG12 H 1 0.938 0.020 . 1 . . . A 129 VAL HG1 . 19522 1 712 . 1 1 129 129 VAL HG13 H 1 0.938 0.020 . 1 . . . A 129 VAL HG1 . 19522 1 713 . 1 1 129 129 VAL HG21 H 1 0.962 0.020 . 1 . . . A 129 VAL HG2 . 19522 1 714 . 1 1 129 129 VAL HG22 H 1 0.962 0.020 . 1 . . . A 129 VAL HG2 . 19522 1 715 . 1 1 129 129 VAL HG23 H 1 0.962 0.020 . 1 . . . A 129 VAL HG2 . 19522 1 716 . 1 1 129 129 VAL C C 13 177.756 0.3 . 1 . . . A 129 VAL C . 19522 1 717 . 1 1 129 129 VAL CA C 13 65.090 0.3 . 1 . . . A 129 VAL CA . 19522 1 718 . 1 1 129 129 VAL CB C 13 30.249 0.3 . 1 . . . A 129 VAL CB . 19522 1 719 . 1 1 129 129 VAL CG1 C 13 22.739 0.3 . 1 . . . A 129 VAL CG1 . 19522 1 720 . 1 1 129 129 VAL CG2 C 13 22.479 0.3 . 1 . . . A 129 VAL CG2 . 19522 1 721 . 1 1 129 129 VAL N N 15 118.194 0.3 . 1 . . . A 129 VAL N . 19522 1 722 . 1 1 130 130 VAL H H 1 7.831 0.020 . 1 . . . A 130 VAL H . 19522 1 723 . 1 1 130 130 VAL HG11 H 1 0.070 0.020 . 1 . . . A 130 VAL HG1 . 19522 1 724 . 1 1 130 130 VAL HG12 H 1 0.070 0.020 . 1 . . . A 130 VAL HG1 . 19522 1 725 . 1 1 130 130 VAL HG13 H 1 0.070 0.020 . 1 . . . A 130 VAL HG1 . 19522 1 726 . 1 1 130 130 VAL HG21 H 1 -0.083 0.020 . 1 . . . A 130 VAL HG2 . 19522 1 727 . 1 1 130 130 VAL HG22 H 1 -0.083 0.020 . 1 . . . A 130 VAL HG2 . 19522 1 728 . 1 1 130 130 VAL HG23 H 1 -0.083 0.020 . 1 . . . A 130 VAL HG2 . 19522 1 729 . 1 1 130 130 VAL C C 13 177.714 0.3 . 1 . . . A 130 VAL C . 19522 1 730 . 1 1 130 130 VAL CA C 13 65.409 0.3 . 1 . . . A 130 VAL CA . 19522 1 731 . 1 1 130 130 VAL CB C 13 29.472 0.3 . 1 . . . A 130 VAL CB . 19522 1 732 . 1 1 130 130 VAL CG1 C 13 22.816 0.3 . 1 . . . A 130 VAL CG1 . 19522 1 733 . 1 1 130 130 VAL CG2 C 13 21.942 0.3 . 1 . . . A 130 VAL CG2 . 19522 1 734 . 1 1 130 130 VAL N N 15 119.459 0.3 . 1 . . . A 130 VAL N . 19522 1 735 . 1 1 131 131 ASN H H 1 8.374 0.020 . 1 . . . A 131 ASN H . 19522 1 736 . 1 1 131 131 ASN C C 13 178.775 0.3 . 1 . . . A 131 ASN C . 19522 1 737 . 1 1 131 131 ASN CA C 13 54.644 0.3 . 1 . . . A 131 ASN CA . 19522 1 738 . 1 1 131 131 ASN CB C 13 36.265 0.3 . 1 . . . A 131 ASN CB . 19522 1 739 . 1 1 131 131 ASN N N 15 117.212 0.3 . 1 . . . A 131 ASN N . 19522 1 740 . 1 1 132 132 GLU H H 1 7.226 0.020 . 1 . . . A 132 GLU H . 19522 1 741 . 1 1 132 132 GLU C C 13 179.097 0.3 . 1 . . . A 132 GLU C . 19522 1 742 . 1 1 132 132 GLU CA C 13 57.978 0.3 . 1 . . . A 132 GLU CA . 19522 1 743 . 1 1 132 132 GLU CB C 13 27.372 0.3 . 1 . . . A 132 GLU CB . 19522 1 744 . 1 1 132 132 GLU N N 15 118.393 0.3 . 1 . . . A 132 GLU N . 19522 1 745 . 1 1 133 133 LEU H H 1 7.467 0.020 . 1 . . . A 133 LEU H . 19522 1 746 . 1 1 133 133 LEU HD11 H 1 0.448 0.020 . 1 . . . A 133 LEU HD1 . 19522 1 747 . 1 1 133 133 LEU HD12 H 1 0.448 0.020 . 1 . . . A 133 LEU HD1 . 19522 1 748 . 1 1 133 133 LEU HD13 H 1 0.448 0.020 . 1 . . . A 133 LEU HD1 . 19522 1 749 . 1 1 133 133 LEU HD21 H 1 0.350 0.020 . 1 . . . A 133 LEU HD2 . 19522 1 750 . 1 1 133 133 LEU HD22 H 1 0.350 0.020 . 1 . . . A 133 LEU HD2 . 19522 1 751 . 1 1 133 133 LEU HD23 H 1 0.350 0.020 . 1 . . . A 133 LEU HD2 . 19522 1 752 . 1 1 133 133 LEU C C 13 178.016 0.3 . 1 . . . A 133 LEU C . 19522 1 753 . 1 1 133 133 LEU CA C 13 56.802 0.3 . 1 . . . A 133 LEU CA . 19522 1 754 . 1 1 133 133 LEU CB C 13 39.781 0.3 . 1 . . . A 133 LEU CB . 19522 1 755 . 1 1 133 133 LEU CD1 C 13 23.560 0.3 . 1 . . . A 133 LEU CD1 . 19522 1 756 . 1 1 133 133 LEU CD2 C 13 23.559 0.3 . 1 . . . A 133 LEU CD2 . 19522 1 757 . 1 1 133 133 LEU N N 15 120.835 0.3 . 1 . . . A 133 LEU N . 19522 1 758 . 1 1 134 134 PHE H H 1 6.926 0.020 . 1 . . . A 134 PHE H . 19522 1 759 . 1 1 134 134 PHE C C 13 176.258 0.3 . 1 . . . A 134 PHE C . 19522 1 760 . 1 1 134 134 PHE CA C 13 56.539 0.3 . 1 . . . A 134 PHE CA . 19522 1 761 . 1 1 134 134 PHE CB C 13 37.863 0.3 . 1 . . . A 134 PHE CB . 19522 1 762 . 1 1 134 134 PHE N N 15 112.847 0.3 . 1 . . . A 134 PHE N . 19522 1 763 . 1 1 135 135 ARG H H 1 7.144 0.020 . 1 . . . A 135 ARG H . 19522 1 764 . 1 1 135 135 ARG C C 13 176.957 0.3 . 1 . . . A 135 ARG C . 19522 1 765 . 1 1 135 135 ARG CA C 13 58.937 0.3 . 1 . . . A 135 ARG CA . 19522 1 766 . 1 1 135 135 ARG CB C 13 28.011 0.3 . 1 . . . A 135 ARG CB . 19522 1 767 . 1 1 135 135 ARG N N 15 123.664 0.3 . 1 . . . A 135 ARG N . 19522 1 768 . 1 1 136 136 ASP H H 1 8.607 0.020 . 1 . . . A 136 ASP H . 19522 1 769 . 1 1 136 136 ASP C C 13 175.339 0.3 . 1 . . . A 136 ASP C . 19522 1 770 . 1 1 136 136 ASP CA C 13 53.343 0.3 . 1 . . . A 136 ASP CA . 19522 1 771 . 1 1 136 136 ASP CB C 13 39.598 0.3 . 1 . . . A 136 ASP CB . 19522 1 772 . 1 1 136 136 ASP N N 15 116.448 0.3 . 1 . . . A 136 ASP N . 19522 1 773 . 1 1 137 137 GLY H H 1 7.468 0.020 . 1 . . . A 137 GLY H . 19522 1 774 . 1 1 137 137 GLY C C 13 172.324 0.3 . 1 . . . A 137 GLY C . 19522 1 775 . 1 1 137 137 GLY CA C 13 42.795 0.3 . 1 . . . A 137 GLY CA . 19522 1 776 . 1 1 137 137 GLY N N 15 108.506 0.3 . 1 . . . A 137 GLY N . 19522 1 777 . 1 1 138 138 VAL H H 1 8.181 0.020 . 1 . . . A 138 VAL H . 19522 1 778 . 1 1 138 138 VAL HG11 H 1 0.282 0.020 . 1 . . . A 138 VAL HG1 . 19522 1 779 . 1 1 138 138 VAL HG12 H 1 0.282 0.020 . 1 . . . A 138 VAL HG1 . 19522 1 780 . 1 1 138 138 VAL HG13 H 1 0.282 0.020 . 1 . . . A 138 VAL HG1 . 19522 1 781 . 1 1 138 138 VAL HG21 H 1 -0.747 0.020 . 1 . . . A 138 VAL HG2 . 19522 1 782 . 1 1 138 138 VAL HG22 H 1 -0.747 0.020 . 1 . . . A 138 VAL HG2 . 19522 1 783 . 1 1 138 138 VAL HG23 H 1 -0.747 0.020 . 1 . . . A 138 VAL HG2 . 19522 1 784 . 1 1 138 138 VAL C C 13 174.160 0.3 . 1 . . . A 138 VAL C . 19522 1 785 . 1 1 138 138 VAL CA C 13 61.893 0.3 . 1 . . . A 138 VAL CA . 19522 1 786 . 1 1 138 138 VAL CB C 13 30.808 0.3 . 1 . . . A 138 VAL CB . 19522 1 787 . 1 1 138 138 VAL CG1 C 13 20.496 0.3 . 1 . . . A 138 VAL CG1 . 19522 1 788 . 1 1 138 138 VAL CG2 C 13 22.297 0.3 . 1 . . . A 138 VAL CG2 . 19522 1 789 . 1 1 138 138 VAL N N 15 120.519 0.3 . 1 . . . A 138 VAL N . 19522 1 790 . 1 1 139 139 ASN H H 1 6.261 0.020 . 1 . . . A 139 ASN H . 19522 1 791 . 1 1 139 139 ASN C C 13 174.959 0.3 . 1 . . . A 139 ASN C . 19522 1 792 . 1 1 139 139 ASN CA C 13 51.025 0.3 . 1 . . . A 139 ASN CA . 19522 1 793 . 1 1 139 139 ASN CB C 13 38.639 0.3 . 1 . . . A 139 ASN CB . 19522 1 794 . 1 1 139 139 ASN N N 15 115.573 0.3 . 1 . . . A 139 ASN N . 19522 1 795 . 1 1 140 140 TRP H H 1 8.413 0.020 . 1 . . . A 140 TRP H . 19522 1 796 . 1 1 140 140 TRP HE1 H 1 9.411 0.020 . 1 . . . A 140 TRP HE1 . 19522 1 797 . 1 1 140 140 TRP C C 13 177.976 0.3 . 1 . . . A 140 TRP C . 19522 1 798 . 1 1 140 140 TRP CA C 13 60.135 0.3 . 1 . . . A 140 TRP CA . 19522 1 799 . 1 1 140 140 TRP CB C 13 29.609 0.3 . 1 . . . A 140 TRP CB . 19522 1 800 . 1 1 140 140 TRP N N 15 118.231 0.3 . 1 . . . A 140 TRP N . 19522 1 801 . 1 1 140 140 TRP NE1 N 15 129.166 0.3 . 1 . . . A 140 TRP NE1 . 19522 1 802 . 1 1 141 141 GLY H H 1 8.494 0.020 . 1 . . . A 141 GLY H . 19522 1 803 . 1 1 141 141 GLY C C 13 177.297 0.3 . 1 . . . A 141 GLY C . 19522 1 804 . 1 1 141 141 GLY CA C 13 46.471 0.3 . 1 . . . A 141 GLY CA . 19522 1 805 . 1 1 141 141 GLY N N 15 106.238 0.3 . 1 . . . A 141 GLY N . 19522 1 806 . 1 1 142 142 ARG H H 1 8.104 0.020 . 1 . . . A 142 ARG H . 19522 1 807 . 1 1 142 142 ARG C C 13 177.457 0.3 . 1 . . . A 142 ARG C . 19522 1 808 . 1 1 142 142 ARG CA C 13 57.498 0.3 . 1 . . . A 142 ARG CA . 19522 1 809 . 1 1 142 142 ARG CB C 13 29.609 0.3 . 1 . . . A 142 ARG CB . 19522 1 810 . 1 1 142 142 ARG N N 15 121.156 0.3 . 1 . . . A 142 ARG N . 19522 1 811 . 1 1 143 143 ILE H H 1 7.696 0.020 . 1 . . . A 143 ILE H . 19522 1 812 . 1 1 143 143 ILE HD11 H 1 0.234 0.020 . 1 . . . A 143 ILE HD1 . 19522 1 813 . 1 1 143 143 ILE HD12 H 1 0.234 0.020 . 1 . . . A 143 ILE HD1 . 19522 1 814 . 1 1 143 143 ILE HD13 H 1 0.234 0.020 . 1 . . . A 143 ILE HD1 . 19522 1 815 . 1 1 143 143 ILE C C 13 177.756 0.3 . 1 . . . A 143 ILE C . 19522 1 816 . 1 1 143 143 ILE CA C 13 65.889 0.3 . 1 . . . A 143 ILE CA . 19522 1 817 . 1 1 143 143 ILE CB C 13 35.603 0.3 . 1 . . . A 143 ILE CB . 19522 1 818 . 1 1 143 143 ILE CD1 C 13 13.402 0.3 . 1 . . . A 143 ILE CD1 . 19522 1 819 . 1 1 143 143 ILE N N 15 120.888 0.3 . 1 . . . A 143 ILE N . 19522 1 820 . 1 1 144 144 VAL H H 1 8.229 0.020 . 1 . . . A 144 VAL H . 19522 1 821 . 1 1 144 144 VAL HG11 H 1 1.046 0.020 . 1 . . . A 144 VAL HG1 . 19522 1 822 . 1 1 144 144 VAL HG12 H 1 1.046 0.020 . 1 . . . A 144 VAL HG1 . 19522 1 823 . 1 1 144 144 VAL HG13 H 1 1.046 0.020 . 1 . . . A 144 VAL HG1 . 19522 1 824 . 1 1 144 144 VAL HG21 H 1 0.788 0.020 . 1 . . . A 144 VAL HG2 . 19522 1 825 . 1 1 144 144 VAL HG22 H 1 0.788 0.020 . 1 . . . A 144 VAL HG2 . 19522 1 826 . 1 1 144 144 VAL HG23 H 1 0.788 0.020 . 1 . . . A 144 VAL HG2 . 19522 1 827 . 1 1 144 144 VAL C C 13 177.557 0.3 . 1 . . . A 144 VAL C . 19522 1 828 . 1 1 144 144 VAL CA C 13 67.088 0.3 . 1 . . . A 144 VAL CA . 19522 1 829 . 1 1 144 144 VAL CB C 13 30.089 0.3 . 1 . . . A 144 VAL CB . 19522 1 830 . 1 1 144 144 VAL CG1 C 13 23.044 0.3 . 1 . . . A 144 VAL CG1 . 19522 1 831 . 1 1 144 144 VAL CG2 C 13 22.646 0.3 . 1 . . . A 144 VAL CG2 . 19522 1 832 . 1 1 144 144 VAL N N 15 120.958 0.3 . 1 . . . A 144 VAL N . 19522 1 833 . 1 1 145 145 ALA H H 1 7.579 0.020 . 1 . . . A 145 ALA H . 19522 1 834 . 1 1 145 145 ALA C C 13 177.999 0.3 . 1 . . . A 145 ALA C . 19522 1 835 . 1 1 145 145 ALA CA C 13 54.062 0.3 . 1 . . . A 145 ALA CA . 19522 1 836 . 1 1 145 145 ALA CB C 13 16.983 0.3 . 1 . . . A 145 ALA CB . 19522 1 837 . 1 1 145 145 ALA N N 15 121.229 0.3 . 1 . . . A 145 ALA N . 19522 1 838 . 1 1 146 146 PHE H H 1 7.985 0.020 . 1 . . . A 146 PHE H . 19522 1 839 . 1 1 146 146 PHE C C 13 179.432 0.3 . 1 . . . A 146 PHE C . 19522 1 840 . 1 1 146 146 PHE CA C 13 61.169 0.3 . 1 . . . A 146 PHE CA . 19522 1 841 . 1 1 146 146 PHE CB C 13 37.863 0.3 . 1 . . . A 146 PHE CB . 19522 1 842 . 1 1 146 146 PHE N N 15 119.338 0.3 . 1 . . . A 146 PHE N . 19522 1 843 . 1 1 147 147 PHE H H 1 7.824 0.020 . 1 . . . A 147 PHE H . 19522 1 844 . 1 1 147 147 PHE C C 13 177.399 0.3 . 1 . . . A 147 PHE C . 19522 1 845 . 1 1 147 147 PHE CA C 13 59.119 0.3 . 1 . . . A 147 PHE CA . 19522 1 846 . 1 1 147 147 PHE CB C 13 39.438 0.3 . 1 . . . A 147 PHE CB . 19522 1 847 . 1 1 147 147 PHE N N 15 119.900 0.3 . 1 . . . A 147 PHE N . 19522 1 848 . 1 1 148 148 SER H H 1 8.423 0.020 . 1 . . . A 148 SER H . 19522 1 849 . 1 1 148 148 SER C C 13 177.357 0.3 . 1 . . . A 148 SER C . 19522 1 850 . 1 1 148 148 SER CA C 13 63.115 0.3 . 1 . . . A 148 SER CA . 19522 1 851 . 1 1 148 148 SER CB C 13 61.893 0.3 . 1 . . . A 148 SER CB . 19522 1 852 . 1 1 148 148 SER N N 15 114.725 0.3 . 1 . . . A 148 SER N . 19522 1 853 . 1 1 149 149 PHE H H 1 9.097 0.020 . 1 . . . A 149 PHE H . 19522 1 854 . 1 1 149 149 PHE C C 13 176.338 0.3 . 1 . . . A 149 PHE C . 19522 1 855 . 1 1 149 149 PHE CA C 13 59.336 0.3 . 1 . . . A 149 PHE CA . 19522 1 856 . 1 1 149 149 PHE CB C 13 37.281 0.3 . 1 . . . A 149 PHE CB . 19522 1 857 . 1 1 149 149 PHE N N 15 124.361 0.3 . 1 . . . A 149 PHE N . 19522 1 858 . 1 1 150 150 GLY H H 1 7.937 0.020 . 1 . . . A 150 GLY H . 19522 1 859 . 1 1 150 150 GLY C C 13 176.398 0.3 . 1 . . . A 150 GLY C . 19522 1 860 . 1 1 150 150 GLY CA C 13 47.030 0.3 . 1 . . . A 150 GLY CA . 19522 1 861 . 1 1 150 150 GLY N N 15 105.935 0.3 . 1 . . . A 150 GLY N . 19522 1 862 . 1 1 151 151 GLY H H 1 8.803 0.020 . 1 . . . A 151 GLY H . 19522 1 863 . 1 1 151 151 GLY C C 13 174.300 0.3 . 1 . . . A 151 GLY C . 19522 1 864 . 1 1 151 151 GLY CA C 13 46.950 0.3 . 1 . . . A 151 GLY CA . 19522 1 865 . 1 1 151 151 GLY N N 15 107.449 0.3 . 1 . . . A 151 GLY N . 19522 1 866 . 1 1 152 152 ALA H H 1 8.232 0.020 . 1 . . . A 152 ALA H . 19522 1 867 . 1 1 152 152 ALA C C 13 177.636 0.3 . 1 . . . A 152 ALA C . 19522 1 868 . 1 1 152 152 ALA CA C 13 54.142 0.3 . 1 . . . A 152 ALA CA . 19522 1 869 . 1 1 152 152 ALA CB C 13 17.063 0.3 . 1 . . . A 152 ALA CB . 19522 1 870 . 1 1 152 152 ALA N N 15 124.384 0.3 . 1 . . . A 152 ALA N . 19522 1 871 . 1 1 153 153 LEU H H 1 8.159 0.020 . 1 . . . A 153 LEU H . 19522 1 872 . 1 1 153 153 LEU HD11 H 1 0.822 0.020 . 1 . . . A 153 LEU HD1 . 19522 1 873 . 1 1 153 153 LEU HD12 H 1 0.822 0.020 . 1 . . . A 153 LEU HD1 . 19522 1 874 . 1 1 153 153 LEU HD13 H 1 0.822 0.020 . 1 . . . A 153 LEU HD1 . 19522 1 875 . 1 1 153 153 LEU HD21 H 1 0.789 0.020 . 1 . . . A 153 LEU HD2 . 19522 1 876 . 1 1 153 153 LEU HD22 H 1 0.789 0.020 . 1 . . . A 153 LEU HD2 . 19522 1 877 . 1 1 153 153 LEU HD23 H 1 0.789 0.020 . 1 . . . A 153 LEU HD2 . 19522 1 878 . 1 1 153 153 LEU C C 13 179.937 0.3 . 1 . . . A 153 LEU C . 19522 1 879 . 1 1 153 153 LEU CA C 13 56.588 0.3 . 1 . . . A 153 LEU CA . 19522 1 880 . 1 1 153 153 LEU CB C 13 40.660 0.3 . 1 . . . A 153 LEU CB . 19522 1 881 . 1 1 153 153 LEU CD1 C 13 23.123 0.3 . 1 . . . A 153 LEU CD1 . 19522 1 882 . 1 1 153 153 LEU CD2 C 13 22.943 0.3 . 1 . . . A 153 LEU CD2 . 19522 1 883 . 1 1 153 153 LEU N N 15 118.871 0.3 . 1 . . . A 153 LEU N . 19522 1 884 . 1 1 154 154 CYS H H 1 8.049 0.020 . 1 . . . A 154 CYS H . 19522 1 885 . 1 1 154 154 CYS HG H 1 2.363 0.020 . 1 . . . A 154 CYS HG . 19522 1 886 . 1 1 154 154 CYS C C 13 177.332 0.3 . 1 . . . A 154 CYS C . 19522 1 887 . 1 1 154 154 CYS CA C 13 60.296 0.3 . 1 . . . A 154 CYS CA . 19522 1 888 . 1 1 154 154 CYS CB C 13 25.237 0.3 . 1 . . . A 154 CYS CB . 19522 1 889 . 1 1 154 154 CYS N N 15 118.554 0.3 . 1 . . . A 154 CYS N . 19522 1 890 . 1 1 155 155 VAL H H 1 8.016 0.020 . 1 . . . A 155 VAL H . 19522 1 891 . 1 1 155 155 VAL HG11 H 1 0.945 0.020 . 1 . . . A 155 VAL HG1 . 19522 1 892 . 1 1 155 155 VAL HG12 H 1 0.945 0.020 . 1 . . . A 155 VAL HG1 . 19522 1 893 . 1 1 155 155 VAL HG13 H 1 0.945 0.020 . 1 . . . A 155 VAL HG1 . 19522 1 894 . 1 1 155 155 VAL HG21 H 1 0.976 0.020 . 1 . . . A 155 VAL HG2 . 19522 1 895 . 1 1 155 155 VAL HG22 H 1 0.976 0.020 . 1 . . . A 155 VAL HG2 . 19522 1 896 . 1 1 155 155 VAL HG23 H 1 0.976 0.020 . 1 . . . A 155 VAL HG2 . 19522 1 897 . 1 1 155 155 VAL C C 13 175.723 0.3 . 1 . . . A 155 VAL C . 19522 1 898 . 1 1 155 155 VAL CA C 13 66.129 0.3 . 1 . . . A 155 VAL CA . 19522 1 899 . 1 1 155 155 VAL CB C 13 30.728 0.3 . 1 . . . A 155 VAL CB . 19522 1 900 . 1 1 155 155 VAL CG1 C 13 22.055 0.3 . 1 . . . A 155 VAL CG1 . 19522 1 901 . 1 1 155 155 VAL CG2 C 13 21.560 0.3 . 1 . . . A 155 VAL CG2 . 19522 1 902 . 1 1 155 155 VAL N N 15 118.474 0.3 . 1 . . . A 155 VAL N . 19522 1 903 . 1 1 156 156 GLU H H 1 8.025 0.020 . 1 . . . A 156 GLU H . 19522 1 904 . 1 1 156 156 GLU C C 13 178.036 0.3 . 1 . . . A 156 GLU C . 19522 1 905 . 1 1 156 156 GLU CA C 13 61.278 0.3 . 1 . . . A 156 GLU CA . 19522 1 906 . 1 1 156 156 GLU CB C 13 27.452 0.3 . 1 . . . A 156 GLU CB . 19522 1 907 . 1 1 156 156 GLU N N 15 119.114 0.3 . 1 . . . A 156 GLU N . 19522 1 908 . 1 1 157 157 SER H H 1 7.629 0.020 . 1 . . . A 157 SER H . 19522 1 909 . 1 1 157 157 SER C C 13 175.299 0.3 . 1 . . . A 157 SER C . 19522 1 910 . 1 1 157 157 SER CA C 13 62.373 0.3 . 1 . . . A 157 SER CA . 19522 1 911 . 1 1 157 157 SER CB C 13 60.854 0.3 . 1 . . . A 157 SER CB . 19522 1 912 . 1 1 157 157 SER N N 15 113.391 0.3 . 1 . . . A 157 SER N . 19522 1 913 . 1 1 158 158 VAL H H 1 7.374 0.020 . 1 . . . A 158 VAL H . 19522 1 914 . 1 1 158 158 VAL HG11 H 1 0.124 0.020 . 1 . . . A 158 VAL HG1 . 19522 1 915 . 1 1 158 158 VAL HG12 H 1 0.124 0.020 . 1 . . . A 158 VAL HG1 . 19522 1 916 . 1 1 158 158 VAL HG13 H 1 0.124 0.020 . 1 . . . A 158 VAL HG1 . 19522 1 917 . 1 1 158 158 VAL HG21 H 1 0.349 0.020 . 1 . . . A 158 VAL HG2 . 19522 1 918 . 1 1 158 158 VAL HG22 H 1 0.349 0.020 . 1 . . . A 158 VAL HG2 . 19522 1 919 . 1 1 158 158 VAL HG23 H 1 0.349 0.020 . 1 . . . A 158 VAL HG2 . 19522 1 920 . 1 1 158 158 VAL C C 13 173.977 0.3 . 1 . . . A 158 VAL C . 19522 1 921 . 1 1 158 158 VAL CA C 13 65.729 0.3 . 1 . . . A 158 VAL CA . 19522 1 922 . 1 1 158 158 VAL CB C 13 29.609 0.3 . 1 . . . A 158 VAL CB . 19522 1 923 . 1 1 158 158 VAL CG1 C 13 20.840 0.3 . 1 . . . A 158 VAL CG1 . 19522 1 924 . 1 1 158 158 VAL CG2 C 13 22.200 0.3 . 1 . . . A 158 VAL CG2 . 19522 1 925 . 1 1 158 158 VAL N N 15 120.493 0.3 . 1 . . . A 158 VAL N . 19522 1 926 . 1 1 159 159 ASP H H 1 8.309 0.020 . 1 . . . A 159 ASP H . 19522 1 927 . 1 1 159 159 ASP C C 13 177.696 0.3 . 1 . . . A 159 ASP C . 19522 1 928 . 1 1 159 159 ASP CA C 13 56.619 0.3 . 1 . . . A 159 ASP CA . 19522 1 929 . 1 1 159 159 ASP CB C 13 39.918 0.3 . 1 . . . A 159 ASP CB . 19522 1 930 . 1 1 159 159 ASP N N 15 123.215 0.3 . 1 . . . A 159 ASP N . 19522 1 931 . 1 1 160 160 LYS H H 1 7.541 0.020 . 1 . . . A 160 LYS H . 19522 1 932 . 1 1 160 160 LYS C C 13 174.839 0.3 . 1 . . . A 160 LYS C . 19522 1 933 . 1 1 160 160 LYS CA C 13 55.101 0.3 . 1 . . . A 160 LYS CA . 19522 1 934 . 1 1 160 160 LYS CB C 13 30.488 0.3 . 1 . . . A 160 LYS CB . 19522 1 935 . 1 1 160 160 LYS N N 15 115.648 0.3 . 1 . . . A 160 LYS N . 19522 1 936 . 1 1 161 161 GLU H H 1 7.842 0.020 . 1 . . . A 161 GLU H . 19522 1 937 . 1 1 161 161 GLU C C 13 175.781 0.3 . 1 . . . A 161 GLU C . 19522 1 938 . 1 1 161 161 GLU CA C 13 56.779 0.3 . 1 . . . A 161 GLU CA . 19522 1 939 . 1 1 161 161 GLU CB C 13 25.054 0.3 . 1 . . . A 161 GLU CB . 19522 1 940 . 1 1 161 161 GLU N N 15 113.911 0.3 . 1 . . . A 161 GLU N . 19522 1 941 . 1 1 162 162 MET H H 1 8.420 0.020 . 1 . . . A 162 MET H . 19522 1 942 . 1 1 162 162 MET C C 13 176.597 0.3 . 1 . . . A 162 MET C . 19522 1 943 . 1 1 162 162 MET CA C 13 52.646 0.3 . 1 . . . A 162 MET CA . 19522 1 944 . 1 1 162 162 MET CB C 13 30.488 0.3 . 1 . . . A 162 MET CB . 19522 1 945 . 1 1 162 162 MET N N 15 118.882 0.3 . 1 . . . A 162 MET N . 19522 1 946 . 1 1 163 163 GLN H H 1 8.615 0.020 . 1 . . . A 163 GLN H . 19522 1 947 . 1 1 163 163 GLN C C 13 177.397 0.3 . 1 . . . A 163 GLN C . 19522 1 948 . 1 1 163 163 GLN CA C 13 59.176 0.3 . 1 . . . A 163 GLN CA . 19522 1 949 . 1 1 163 163 GLN CB C 13 26.093 0.3 . 1 . . . A 163 GLN CB . 19522 1 950 . 1 1 163 163 GLN N N 15 119.366 0.3 . 1 . . . A 163 GLN N . 19522 1 951 . 1 1 164 164 VAL H H 1 7.938 0.020 . 1 . . . A 164 VAL H . 19522 1 952 . 1 1 164 164 VAL HG11 H 1 0.820 0.020 . 1 . . . A 164 VAL HG1 . 19522 1 953 . 1 1 164 164 VAL HG12 H 1 0.820 0.020 . 1 . . . A 164 VAL HG1 . 19522 1 954 . 1 1 164 164 VAL HG13 H 1 0.820 0.020 . 1 . . . A 164 VAL HG1 . 19522 1 955 . 1 1 164 164 VAL HG21 H 1 0.843 0.020 . 1 . . . A 164 VAL HG2 . 19522 1 956 . 1 1 164 164 VAL HG22 H 1 0.843 0.020 . 1 . . . A 164 VAL HG2 . 19522 1 957 . 1 1 164 164 VAL HG23 H 1 0.843 0.020 . 1 . . . A 164 VAL HG2 . 19522 1 958 . 1 1 164 164 VAL C C 13 175.459 0.3 . 1 . . . A 164 VAL C . 19522 1 959 . 1 1 164 164 VAL CA C 13 62.852 0.3 . 1 . . . A 164 VAL CA . 19522 1 960 . 1 1 164 164 VAL CB C 13 30.089 0.3 . 1 . . . A 164 VAL CB . 19522 1 961 . 1 1 164 164 VAL CG1 C 13 19.534 0.3 . 1 . . . A 164 VAL CG1 . 19522 1 962 . 1 1 164 164 VAL CG2 C 13 19.634 0.3 . 1 . . . A 164 VAL CG2 . 19522 1 963 . 1 1 164 164 VAL N N 15 116.957 0.3 . 1 . . . A 164 VAL N . 19522 1 964 . 1 1 165 165 LEU H H 1 7.741 0.020 . 1 . . . A 165 LEU H . 19522 1 965 . 1 1 165 165 LEU HD11 H 1 0.607 0.020 . 1 . . . A 165 LEU HD1 . 19522 1 966 . 1 1 165 165 LEU HD12 H 1 0.607 0.020 . 1 . . . A 165 LEU HD1 . 19522 1 967 . 1 1 165 165 LEU HD13 H 1 0.607 0.020 . 1 . . . A 165 LEU HD1 . 19522 1 968 . 1 1 165 165 LEU HD21 H 1 0.658 0.020 . 1 . . . A 165 LEU HD2 . 19522 1 969 . 1 1 165 165 LEU HD22 H 1 0.658 0.020 . 1 . . . A 165 LEU HD2 . 19522 1 970 . 1 1 165 165 LEU HD23 H 1 0.658 0.020 . 1 . . . A 165 LEU HD2 . 19522 1 971 . 1 1 165 165 LEU C C 13 177.714 0.3 . 1 . . . A 165 LEU C . 19522 1 972 . 1 1 165 165 LEU CA C 13 55.683 0.3 . 1 . . . A 165 LEU CA . 19522 1 973 . 1 1 165 165 LEU CB C 13 39.678 0.3 . 1 . . . A 165 LEU CB . 19522 1 974 . 1 1 165 165 LEU CD1 C 13 22.134 0.3 . 1 . . . A 165 LEU CD1 . 19522 1 975 . 1 1 165 165 LEU CD2 C 13 23.471 0.3 . 1 . . . A 165 LEU CD2 . 19522 1 976 . 1 1 165 165 LEU N N 15 117.124 0.3 . 1 . . . A 165 LEU N . 19522 1 977 . 1 1 166 166 VAL H H 1 7.342 0.020 . 1 . . . A 166 VAL H . 19522 1 978 . 1 1 166 166 VAL HG11 H 1 0.233 0.020 . 1 . . . A 166 VAL HG1 . 19522 1 979 . 1 1 166 166 VAL HG12 H 1 0.233 0.020 . 1 . . . A 166 VAL HG1 . 19522 1 980 . 1 1 166 166 VAL HG13 H 1 0.233 0.020 . 1 . . . A 166 VAL HG1 . 19522 1 981 . 1 1 166 166 VAL HG21 H 1 0.430 0.020 . 1 . . . A 166 VAL HG2 . 19522 1 982 . 1 1 166 166 VAL HG22 H 1 0.430 0.020 . 1 . . . A 166 VAL HG2 . 19522 1 983 . 1 1 166 166 VAL HG23 H 1 0.430 0.020 . 1 . . . A 166 VAL HG2 . 19522 1 984 . 1 1 166 166 VAL C C 13 176.817 0.3 . 1 . . . A 166 VAL C . 19522 1 985 . 1 1 166 166 VAL CA C 13 66.848 0.3 . 1 . . . A 166 VAL CA . 19522 1 986 . 1 1 166 166 VAL CB C 13 29.370 0.3 . 1 . . . A 166 VAL CB . 19522 1 987 . 1 1 166 166 VAL CG1 C 13 20.865 0.3 . 1 . . . A 166 VAL CG1 . 19522 1 988 . 1 1 166 166 VAL CG2 C 13 22.658 0.3 . 1 . . . A 166 VAL CG2 . 19522 1 989 . 1 1 166 166 VAL N N 15 119.434 0.3 . 1 . . . A 166 VAL N . 19522 1 990 . 1 1 167 167 SER H H 1 8.099 0.020 . 1 . . . A 167 SER H . 19522 1 991 . 1 1 167 167 SER C C 13 176.737 0.3 . 1 . . . A 167 SER C . 19522 1 992 . 1 1 167 167 SER CA C 13 60.215 0.3 . 1 . . . A 167 SER CA . 19522 1 993 . 1 1 167 167 SER CB C 13 61.654 0.3 . 1 . . . A 167 SER CB . 19522 1 994 . 1 1 167 167 SER N N 15 110.775 0.3 . 1 . . . A 167 SER N . 19522 1 995 . 1 1 168 168 ARG H H 1 6.596 0.020 . 1 . . . A 168 ARG H . 19522 1 996 . 1 1 168 168 ARG C C 13 175.439 0.3 . 1 . . . A 168 ARG C . 19522 1 997 . 1 1 168 168 ARG CA C 13 60.615 0.3 . 1 . . . A 168 ARG CA . 19522 1 998 . 1 1 168 168 ARG CB C 13 28.011 0.3 . 1 . . . A 168 ARG CB . 19522 1 999 . 1 1 168 168 ARG N N 15 122.916 0.3 . 1 . . . A 168 ARG N . 19522 1 1000 . 1 1 169 169 ILE H H 1 7.928 0.020 . 1 . . . A 169 ILE H . 19522 1 1001 . 1 1 169 169 ILE HD11 H 1 0.450 0.020 . 1 . . . A 169 ILE HD1 . 19522 1 1002 . 1 1 169 169 ILE HD12 H 1 0.450 0.020 . 1 . . . A 169 ILE HD1 . 19522 1 1003 . 1 1 169 169 ILE HD13 H 1 0.450 0.020 . 1 . . . A 169 ILE HD1 . 19522 1 1004 . 1 1 169 169 ILE C C 13 177.779 0.3 . 1 . . . A 169 ILE C . 19522 1 1005 . 1 1 169 169 ILE CA C 13 64.131 0.3 . 1 . . . A 169 ILE CA . 19522 1 1006 . 1 1 169 169 ILE CB C 13 36.961 0.3 . 1 . . . A 169 ILE CB . 19522 1 1007 . 1 1 169 169 ILE CD1 C 13 13.950 0.3 . 1 . . . A 169 ILE CD1 . 19522 1 1008 . 1 1 169 169 ILE N N 15 118.335 0.3 . 1 . . . A 169 ILE N . 19522 1 1009 . 1 1 170 170 ALA H H 1 7.672 0.020 . 1 . . . A 170 ALA H . 19522 1 1010 . 1 1 170 170 ALA C C 13 179.195 0.3 . 1 . . . A 170 ALA C . 19522 1 1011 . 1 1 170 170 ALA CA C 13 53.902 0.3 . 1 . . . A 170 ALA CA . 19522 1 1012 . 1 1 170 170 ALA CB C 13 16.824 0.3 . 1 . . . A 170 ALA CB . 19522 1 1013 . 1 1 170 170 ALA N N 15 119.271 0.3 . 1 . . . A 170 ALA N . 19522 1 1014 . 1 1 171 171 ALA H H 1 7.258 0.020 . 1 . . . A 171 ALA H . 19522 1 1015 . 1 1 171 171 ALA C C 13 180.833 0.3 . 1 . . . A 171 ALA C . 19522 1 1016 . 1 1 171 171 ALA CA C 13 54.142 0.3 . 1 . . . A 171 ALA CA . 19522 1 1017 . 1 1 171 171 ALA CB C 13 16.504 0.3 . 1 . . . A 171 ALA CB . 19522 1 1018 . 1 1 171 171 ALA N N 15 120.393 0.3 . 1 . . . A 171 ALA N . 19522 1 1019 . 1 1 172 172 TRP H H 1 8.936 0.020 . 1 . . . A 172 TRP H . 19522 1 1020 . 1 1 172 172 TRP HE1 H 1 10.046 0.020 . 1 . . . A 172 TRP HE1 . 19522 1 1021 . 1 1 172 172 TRP C C 13 179.350 0.3 . 1 . . . A 172 TRP C . 19522 1 1022 . 1 1 172 172 TRP CA C 13 57.019 0.3 . 1 . . . A 172 TRP CA . 19522 1 1023 . 1 1 172 172 TRP CB C 13 27.292 0.3 . 1 . . . A 172 TRP CB . 19522 1 1024 . 1 1 172 172 TRP N N 15 121.501 0.3 . 1 . . . A 172 TRP N . 19522 1 1025 . 1 1 172 172 TRP NE1 N 15 126.408 0.3 . 1 . . . A 172 TRP NE1 . 19522 1 1026 . 1 1 173 173 MET H H 1 8.885 0.020 . 1 . . . A 173 MET H . 19522 1 1027 . 1 1 173 173 MET C C 13 176.158 0.3 . 1 . . . A 173 MET C . 19522 1 1028 . 1 1 173 173 MET CA C 13 60.238 0.3 . 1 . . . A 173 MET CA . 19522 1 1029 . 1 1 173 173 MET CB C 13 28.833 0.3 . 1 . . . A 173 MET CB . 19522 1 1030 . 1 1 173 173 MET N N 15 117.211 0.3 . 1 . . . A 173 MET N . 19522 1 1031 . 1 1 174 174 ALA H H 1 8.206 0.020 . 1 . . . A 174 ALA H . 19522 1 1032 . 1 1 174 174 ALA C C 13 178.875 0.3 . 1 . . . A 174 ALA C . 19522 1 1033 . 1 1 174 174 ALA CA C 13 54.861 0.3 . 1 . . . A 174 ALA CA . 19522 1 1034 . 1 1 174 174 ALA CB C 13 16.687 0.3 . 1 . . . A 174 ALA CB . 19522 1 1035 . 1 1 174 174 ALA N N 15 120.901 0.3 . 1 . . . A 174 ALA N . 19522 1 1036 . 1 1 175 175 THR H H 1 8.530 0.020 . 1 . . . A 175 THR H . 19522 1 1037 . 1 1 175 175 THR C C 13 174.782 0.3 . 1 . . . A 175 THR C . 19522 1 1038 . 1 1 175 175 THR CA C 13 66.209 0.3 . 1 . . . A 175 THR CA . 19522 1 1039 . 1 1 175 175 THR CB C 13 68.046 0.3 . 1 . . . A 175 THR CB . 19522 1 1040 . 1 1 175 175 THR N N 15 116.591 0.3 . 1 . . . A 175 THR N . 19522 1 1041 . 1 1 176 176 TYR H H 1 8.822 0.020 . 1 . . . A 176 TYR H . 19522 1 1042 . 1 1 176 176 TYR C C 13 179.255 0.3 . 1 . . . A 176 TYR C . 19522 1 1043 . 1 1 176 176 TYR CA C 13 62.373 0.3 . 1 . . . A 176 TYR CA . 19522 1 1044 . 1 1 176 176 TYR CB C 13 37.863 0.3 . 1 . . . A 176 TYR CB . 19522 1 1045 . 1 1 176 176 TYR N N 15 123.375 0.3 . 1 . . . A 176 TYR N . 19522 1 1046 . 1 1 177 177 LEU H H 1 8.759 0.020 . 1 . . . A 177 LEU H . 19522 1 1047 . 1 1 177 177 LEU HD11 H 1 1.090 0.020 . 1 . . . A 177 LEU HD1 . 19522 1 1048 . 1 1 177 177 LEU HD12 H 1 1.090 0.020 . 1 . . . A 177 LEU HD1 . 19522 1 1049 . 1 1 177 177 LEU HD13 H 1 1.090 0.020 . 1 . . . A 177 LEU HD1 . 19522 1 1050 . 1 1 177 177 LEU HD21 H 1 1.077 0.020 . 1 . . . A 177 LEU HD2 . 19522 1 1051 . 1 1 177 177 LEU HD22 H 1 1.077 0.020 . 1 . . . A 177 LEU HD2 . 19522 1 1052 . 1 1 177 177 LEU HD23 H 1 1.077 0.020 . 1 . . . A 177 LEU HD2 . 19522 1 1053 . 1 1 177 177 LEU C C 13 177.979 0.3 . 1 . . . A 177 LEU C . 19522 1 1054 . 1 1 177 177 LEU CA C 13 58.457 0.3 . 1 . . . A 177 LEU CA . 19522 1 1055 . 1 1 177 177 LEU CB C 13 41.276 0.3 . 1 . . . A 177 LEU CB . 19522 1 1056 . 1 1 177 177 LEU CD1 C 13 25.497 0.3 . 1 . . . A 177 LEU CD1 . 19522 1 1057 . 1 1 177 177 LEU CD2 C 13 25.717 0.3 . 1 . . . A 177 LEU CD2 . 19522 1 1058 . 1 1 177 177 LEU N N 15 119.511 0.3 . 1 . . . A 177 LEU N . 19522 1 1059 . 1 1 178 178 ASN H H 1 8.333 0.020 . 1 . . . A 178 ASN H . 19522 1 1060 . 1 1 178 178 ASN C C 13 176.021 0.3 . 1 . . . A 178 ASN C . 19522 1 1061 . 1 1 178 178 ASN CA C 13 55.843 0.3 . 1 . . . A 178 ASN CA . 19522 1 1062 . 1 1 178 178 ASN CB C 13 38.103 0.3 . 1 . . . A 178 ASN CB . 19522 1 1063 . 1 1 178 178 ASN N N 15 117.233 0.3 . 1 . . . A 178 ASN N . 19522 1 1064 . 1 1 179 179 ASP H H 1 8.451 0.020 . 1 . . . A 179 ASP H . 19522 1 1065 . 1 1 179 179 ASP C C 13 177.557 0.3 . 1 . . . A 179 ASP C . 19522 1 1066 . 1 1 179 179 ASP CA C 13 55.900 0.3 . 1 . . . A 179 ASP CA . 19522 1 1067 . 1 1 179 179 ASP CB C 13 39.279 0.3 . 1 . . . A 179 ASP CB . 19522 1 1068 . 1 1 179 179 ASP N N 15 115.264 0.3 . 1 . . . A 179 ASP N . 19522 1 1069 . 1 1 180 180 HIS H H 1 8.073 0.020 . 1 . . . A 180 HIS H . 19522 1 1070 . 1 1 180 180 HIS C C 13 175.479 0.3 . 1 . . . A 180 HIS C . 19522 1 1071 . 1 1 180 180 HIS CA C 13 55.421 0.3 . 1 . . . A 180 HIS CA . 19522 1 1072 . 1 1 180 180 HIS CB C 13 29.609 0.3 . 1 . . . A 180 HIS CB . 19522 1 1073 . 1 1 180 180 HIS N N 15 111.728 0.3 . 1 . . . A 180 HIS N . 19522 1 1074 . 1 1 181 181 LEU H H 1 7.183 0.020 . 1 . . . A 181 LEU H . 19522 1 1075 . 1 1 181 181 LEU HD11 H 1 -0.304 0.020 . 1 . . . A 181 LEU HD1 . 19522 1 1076 . 1 1 181 181 LEU HD12 H 1 -0.304 0.020 . 1 . . . A 181 LEU HD1 . 19522 1 1077 . 1 1 181 181 LEU HD13 H 1 -0.304 0.020 . 1 . . . A 181 LEU HD1 . 19522 1 1078 . 1 1 181 181 LEU HD21 H 1 0.193 0.020 . 1 . . . A 181 LEU HD2 . 19522 1 1079 . 1 1 181 181 LEU HD22 H 1 0.193 0.020 . 1 . . . A 181 LEU HD2 . 19522 1 1080 . 1 1 181 181 LEU HD23 H 1 0.193 0.020 . 1 . . . A 181 LEU HD2 . 19522 1 1081 . 1 1 181 181 LEU C C 13 176.160 0.3 . 1 . . . A 181 LEU C . 19522 1 1082 . 1 1 181 181 LEU CA C 13 55.021 0.3 . 1 . . . A 181 LEU CA . 19522 1 1083 . 1 1 181 181 LEU CB C 13 41.756 0.3 . 1 . . . A 181 LEU CB . 19522 1 1084 . 1 1 181 181 LEU CD1 C 13 21.353 0.3 . 1 . . . A 181 LEU CD1 . 19522 1 1085 . 1 1 181 181 LEU CD2 C 13 24.085 0.3 . 1 . . . A 181 LEU CD2 . 19522 1 1086 . 1 1 181 181 LEU N N 15 116.833 0.3 . 1 . . . A 181 LEU N . 19522 1 1087 . 1 1 182 182 GLU H H 1 8.596 0.020 . 1 . . . A 182 GLU H . 19522 1 1088 . 1 1 182 182 GLU CA C 13 61.014 0.3 . 1 . . . A 182 GLU CA . 19522 1 1089 . 1 1 182 182 GLU CB C 13 25.956 0.3 . 1 . . . A 182 GLU CB . 19522 1 1090 . 1 1 182 182 GLU N N 15 121.364 0.3 . 1 . . . A 182 GLU N . 19522 1 1091 . 1 1 184 184 TRP H H 1 7.070 0.020 . 1 . . . A 184 TRP H . 19522 1 1092 . 1 1 184 184 TRP HE1 H 1 9.835 0.020 . 1 . . . A 184 TRP HE1 . 19522 1 1093 . 1 1 184 184 TRP C C 13 179.217 0.3 . 1 . . . A 184 TRP C . 19522 1 1094 . 1 1 184 184 TRP CA C 13 65.672 0.3 . 1 . . . A 184 TRP CA . 19522 1 1095 . 1 1 184 184 TRP CB C 13 29.073 0.3 . 1 . . . A 184 TRP CB . 19522 1 1096 . 1 1 184 184 TRP N N 15 117.804 0.3 . 1 . . . A 184 TRP N . 19522 1 1097 . 1 1 184 184 TRP NE1 N 15 128.558 0.3 . 1 . . . A 184 TRP NE1 . 19522 1 1098 . 1 1 185 185 ILE H H 1 8.396 0.020 . 1 . . . A 185 ILE H . 19522 1 1099 . 1 1 185 185 ILE HD11 H 1 0.504 0.020 . 1 . . . A 185 ILE HD1 . 19522 1 1100 . 1 1 185 185 ILE HD12 H 1 0.504 0.020 . 1 . . . A 185 ILE HD1 . 19522 1 1101 . 1 1 185 185 ILE HD13 H 1 0.504 0.020 . 1 . . . A 185 ILE HD1 . 19522 1 1102 . 1 1 185 185 ILE C C 13 178.655 0.3 . 1 . . . A 185 ILE C . 19522 1 1103 . 1 1 185 185 ILE CA C 13 65.272 0.3 . 1 . . . A 185 ILE CA . 19522 1 1104 . 1 1 185 185 ILE CB C 13 35.945 0.3 . 1 . . . A 185 ILE CB . 19522 1 1105 . 1 1 185 185 ILE CD1 C 13 13.179 0.3 . 1 . . . A 185 ILE CD1 . 19522 1 1106 . 1 1 185 185 ILE N N 15 121.825 0.3 . 1 . . . A 185 ILE N . 19522 1 1107 . 1 1 186 186 GLN H H 1 8.374 0.020 . 1 . . . A 186 GLN H . 19522 1 1108 . 1 1 186 186 GLN C C 13 179.035 0.3 . 1 . . . A 186 GLN C . 19522 1 1109 . 1 1 186 186 GLN CA C 13 57.818 0.3 . 1 . . . A 186 GLN CA . 19522 1 1110 . 1 1 186 186 GLN CB C 13 26.813 0.3 . 1 . . . A 186 GLN CB . 19522 1 1111 . 1 1 186 186 GLN N N 15 116.489 0.3 . 1 . . . A 186 GLN N . 19522 1 1112 . 1 1 187 187 GLU H H 1 7.515 0.020 . 1 . . . A 187 GLU H . 19522 1 1113 . 1 1 187 187 GLU C C 13 176.458 0.3 . 1 . . . A 187 GLU C . 19522 1 1114 . 1 1 187 187 GLU CA C 13 57.019 0.3 . 1 . . . A 187 GLU CA . 19522 1 1115 . 1 1 187 187 GLU CB C 13 28.411 0.3 . 1 . . . A 187 GLU CB . 19522 1 1116 . 1 1 187 187 GLU N N 15 118.764 0.3 . 1 . . . A 187 GLU N . 19522 1 1117 . 1 1 188 188 ASN H H 1 7.092 0.020 . 1 . . . A 188 ASN H . 19522 1 1118 . 1 1 188 188 ASN C C 13 173.620 0.3 . 1 . . . A 188 ASN C . 19522 1 1119 . 1 1 188 188 ASN CA C 13 52.863 0.3 . 1 . . . A 188 ASN CA . 19522 1 1120 . 1 1 188 188 ASN CB C 13 36.721 0.3 . 1 . . . A 188 ASN CB . 19522 1 1121 . 1 1 188 188 ASN N N 15 116.561 0.3 . 1 . . . A 188 ASN N . 19522 1 1122 . 1 1 189 189 GLY H H 1 7.339 0.020 . 1 . . . A 189 GLY H . 19522 1 1123 . 1 1 189 189 GLY C C 13 175.658 0.3 . 1 . . . A 189 GLY C . 19522 1 1124 . 1 1 189 189 GLY CA C 13 44.792 0.3 . 1 . . . A 189 GLY CA . 19522 1 1125 . 1 1 189 189 GLY N N 15 104.897 0.3 . 1 . . . A 189 GLY N . 19522 1 1126 . 1 1 190 190 GLY H H 1 8.462 0.020 . 1 . . . A 190 GLY H . 19522 1 1127 . 1 1 190 190 GLY C C 13 173.021 0.3 . 1 . . . A 190 GLY C . 19522 1 1128 . 1 1 190 190 GLY CA C 13 43.354 0.3 . 1 . . . A 190 GLY CA . 19522 1 1129 . 1 1 190 190 GLY N N 15 108.292 0.3 . 1 . . . A 190 GLY N . 19522 1 1130 . 1 1 191 191 TRP H H 1 8.673 0.020 . 1 . . . A 191 TRP H . 19522 1 1131 . 1 1 191 191 TRP HE1 H 1 10.500 0.020 . 1 . . . A 191 TRP HE1 . 19522 1 1132 . 1 1 191 191 TRP C C 13 178.136 0.3 . 1 . . . A 191 TRP C . 19522 1 1133 . 1 1 191 191 TRP CA C 13 59.416 0.3 . 1 . . . A 191 TRP CA . 19522 1 1134 . 1 1 191 191 TRP CB C 13 28.650 0.3 . 1 . . . A 191 TRP CB . 19522 1 1135 . 1 1 191 191 TRP N N 15 118.031 0.3 . 1 . . . A 191 TRP N . 19522 1 1136 . 1 1 191 191 TRP NE1 N 15 128.607 0.3 . 1 . . . A 191 TRP NE1 . 19522 1 1137 . 1 1 192 192 ASP H H 1 8.846 0.020 . 1 . . . A 192 ASP H . 19522 1 1138 . 1 1 192 192 ASP C C 13 179.058 0.3 . 1 . . . A 192 ASP C . 19522 1 1139 . 1 1 192 192 ASP CA C 13 56.859 0.3 . 1 . . . A 192 ASP CA . 19522 1 1140 . 1 1 192 192 ASP CB C 13 39.279 0.3 . 1 . . . A 192 ASP CB . 19522 1 1141 . 1 1 192 192 ASP N N 15 117.298 0.3 . 1 . . . A 192 ASP N . 19522 1 1142 . 1 1 193 193 THR H H 1 7.431 0.020 . 1 . . . A 193 THR H . 19522 1 1143 . 1 1 193 193 THR C C 13 174.979 0.3 . 1 . . . A 193 THR C . 19522 1 1144 . 1 1 193 193 THR CA C 13 65.649 0.3 . 1 . . . A 193 THR CA . 19522 1 1145 . 1 1 193 193 THR CB C 13 67.327 0.3 . 1 . . . A 193 THR CB . 19522 1 1146 . 1 1 193 193 THR N N 15 116.061 0.3 . 1 . . . A 193 THR N . 19522 1 1147 . 1 1 194 194 PHE H H 1 6.527 0.020 . 1 . . . A 194 PHE H . 19522 1 1148 . 1 1 194 194 PHE C C 13 176.418 0.3 . 1 . . . A 194 PHE C . 19522 1 1149 . 1 1 194 194 PHE CA C 13 61.014 0.3 . 1 . . . A 194 PHE CA . 19522 1 1150 . 1 1 194 194 PHE CB C 13 36.881 0.3 . 1 . . . A 194 PHE CB . 19522 1 1151 . 1 1 194 194 PHE N N 15 121.789 0.3 . 1 . . . A 194 PHE N . 19522 1 1152 . 1 1 195 195 VAL H H 1 7.747 0.020 . 1 . . . A 195 VAL H . 19522 1 1153 . 1 1 195 195 VAL HG11 H 1 0.842 0.020 . 1 . . . A 195 VAL HG1 . 19522 1 1154 . 1 1 195 195 VAL HG12 H 1 0.842 0.020 . 1 . . . A 195 VAL HG1 . 19522 1 1155 . 1 1 195 195 VAL HG13 H 1 0.842 0.020 . 1 . . . A 195 VAL HG1 . 19522 1 1156 . 1 1 195 195 VAL HG21 H 1 1.055 0.020 . 1 . . . A 195 VAL HG2 . 19522 1 1157 . 1 1 195 195 VAL HG22 H 1 1.055 0.020 . 1 . . . A 195 VAL HG2 . 19522 1 1158 . 1 1 195 195 VAL HG23 H 1 1.055 0.020 . 1 . . . A 195 VAL HG2 . 19522 1 1159 . 1 1 195 195 VAL C C 13 178.078 0.3 . 1 . . . A 195 VAL C . 19522 1 1160 . 1 1 195 195 VAL CA C 13 65.752 0.3 . 1 . . . A 195 VAL CA . 19522 1 1161 . 1 1 195 195 VAL CB C 13 30.488 0.3 . 1 . . . A 195 VAL CB . 19522 1 1162 . 1 1 195 195 VAL CG1 C 13 21.294 0.3 . 1 . . . A 195 VAL CG1 . 19522 1 1163 . 1 1 195 195 VAL CG2 C 13 24.227 0.3 . 1 . . . A 195 VAL CG2 . 19522 1 1164 . 1 1 195 195 VAL N N 15 116.988 0.3 . 1 . . . A 195 VAL N . 19522 1 1165 . 1 1 196 196 GLU H H 1 7.497 0.020 . 1 . . . A 196 GLU H . 19522 1 1166 . 1 1 196 196 GLU C C 13 177.976 0.3 . 1 . . . A 196 GLU C . 19522 1 1167 . 1 1 196 196 GLU CA C 13 58.320 0.3 . 1 . . . A 196 GLU CA . 19522 1 1168 . 1 1 196 196 GLU CB C 13 28.673 0.3 . 1 . . . A 196 GLU CB . 19522 1 1169 . 1 1 196 196 GLU N N 15 120.171 0.3 . 1 . . . A 196 GLU N . 19522 1 1170 . 1 1 197 197 LEU H H 1 7.626 0.020 . 1 . . . A 197 LEU H . 19522 1 1171 . 1 1 197 197 LEU HD11 H 1 0.813 0.020 . 1 . . . A 197 LEU HD1 . 19522 1 1172 . 1 1 197 197 LEU HD12 H 1 0.813 0.020 . 1 . . . A 197 LEU HD1 . 19522 1 1173 . 1 1 197 197 LEU HD13 H 1 0.813 0.020 . 1 . . . A 197 LEU HD1 . 19522 1 1174 . 1 1 197 197 LEU HD21 H 1 0.848 0.020 . 1 . . . A 197 LEU HD2 . 19522 1 1175 . 1 1 197 197 LEU HD22 H 1 0.848 0.020 . 1 . . . A 197 LEU HD2 . 19522 1 1176 . 1 1 197 197 LEU HD23 H 1 0.848 0.020 . 1 . . . A 197 LEU HD2 . 19522 1 1177 . 1 1 197 197 LEU C C 13 178.376 0.3 . 1 . . . A 197 LEU C . 19522 1 1178 . 1 1 197 197 LEU CA C 13 55.900 0.3 . 1 . . . A 197 LEU CA . 19522 1 1179 . 1 1 197 197 LEU CB C 13 42.395 0.3 . 1 . . . A 197 LEU CB . 19522 1 1180 . 1 1 197 197 LEU CD1 C 13 25.079 0.3 . 1 . . . A 197 LEU CD1 . 19522 1 1181 . 1 1 197 197 LEU CD2 C 13 22.192 0.3 . 1 . . . A 197 LEU CD2 . 19522 1 1182 . 1 1 197 197 LEU N N 15 117.210 0.3 . 1 . . . A 197 LEU N . 19522 1 1183 . 1 1 198 198 TYR H H 1 8.081 0.020 . 1 . . . A 198 TYR H . 19522 1 1184 . 1 1 198 198 TYR C C 13 176.577 0.3 . 1 . . . A 198 TYR C . 19522 1 1185 . 1 1 198 198 TYR CA C 13 58.377 0.3 . 1 . . . A 198 TYR CA . 19522 1 1186 . 1 1 198 198 TYR CB C 13 37.521 0.3 . 1 . . . A 198 TYR CB . 19522 1 1187 . 1 1 198 198 TYR N N 15 115.681 0.3 . 1 . . . A 198 TYR N . 19522 1 1188 . 1 1 199 199 GLY H H 1 8.032 0.020 . 1 . . . A 199 GLY H . 19522 1 1189 . 1 1 199 199 GLY C C 13 173.640 0.3 . 1 . . . A 199 GLY C . 19522 1 1190 . 1 1 199 199 GLY CA C 13 44.553 0.3 . 1 . . . A 199 GLY CA . 19522 1 1191 . 1 1 199 199 GLY N N 15 108.201 0.3 . 1 . . . A 199 GLY N . 19522 1 1192 . 1 1 200 200 ASN H H 1 8.300 0.020 . 1 . . . A 200 ASN H . 19522 1 1193 . 1 1 200 200 ASN C C 13 175.081 0.3 . 1 . . . A 200 ASN C . 19522 1 1194 . 1 1 200 200 ASN CA C 13 52.784 0.3 . 1 . . . A 200 ASN CA . 19522 1 1195 . 1 1 200 200 ASN CB C 13 37.441 0.3 . 1 . . . A 200 ASN CB . 19522 1 1196 . 1 1 200 200 ASN N N 15 118.385 0.3 . 1 . . . A 200 ASN N . 19522 1 1197 . 1 1 201 201 ASN H H 1 8.351 0.020 . 1 . . . A 201 ASN H . 19522 1 1198 . 1 1 201 201 ASN C C 13 175.239 0.3 . 1 . . . A 201 ASN C . 19522 1 1199 . 1 1 201 201 ASN CA C 13 55.660 0.3 . 1 . . . A 201 ASN CA . 19522 1 1200 . 1 1 201 201 ASN CB C 13 37.441 0.3 . 1 . . . A 201 ASN CB . 19522 1 1201 . 1 1 201 201 ASN N N 15 118.772 0.3 . 1 . . . A 201 ASN N . 19522 1 1202 . 1 1 202 202 ALA H H 1 8.096 0.020 . 1 . . . . 202 ALA H . 19522 1 1203 . 1 1 202 202 ALA C C 13 178.056 0.3 . 1 . . . . 202 ALA C . 19522 1 1204 . 1 1 202 202 ALA CA C 13 52.384 0.3 . 1 . . . . 202 ALA CA . 19522 1 1205 . 1 1 202 202 ALA CB C 13 17.543 0.3 . 1 . . . . 202 ALA CB . 19522 1 1206 . 1 1 202 202 ALA N N 15 123.312 0.3 . 1 . . . . 202 ALA N . 19522 1 1207 . 1 1 203 203 ALA H H 1 8.048 0.020 . 1 . . . . 203 ALA H . 19522 1 1208 . 1 1 203 203 ALA C C 13 178.056 0.3 . 1 . . . . 203 ALA C . 19522 1 1209 . 1 1 203 203 ALA CA C 13 52.224 0.3 . 1 . . . . 203 ALA CA . 19522 1 1210 . 1 1 203 203 ALA CB C 13 17.303 0.3 . 1 . . . . 203 ALA CB . 19522 1 1211 . 1 1 203 203 ALA N N 15 121.596 0.3 . 1 . . . . 203 ALA N . 19522 1 1212 . 1 1 204 204 ALA H H 1 7.948 0.020 . 1 . . . . 204 ALA H . 19522 1 1213 . 1 1 204 204 ALA C C 13 178.516 0.3 . 1 . . . . 204 ALA C . 19522 1 1214 . 1 1 204 204 ALA CA C 13 52.384 0.3 . 1 . . . . 204 ALA CA . 19522 1 1215 . 1 1 204 204 ALA CB C 13 17.303 0.3 . 1 . . . . 204 ALA CB . 19522 1 1216 . 1 1 204 204 ALA N N 15 122.138 0.3 . 1 . . . . 204 ALA N . 19522 1 1217 . 1 1 205 205 GLU H H 1 8.204 0.020 . 1 . . . . 205 GLU H . 19522 1 1218 . 1 1 205 205 GLU C C 13 177.137 0.3 . 1 . . . . 205 GLU C . 19522 1 1219 . 1 1 205 205 GLU CA C 13 56.699 0.3 . 1 . . . . 205 GLU CA . 19522 1 1220 . 1 1 205 205 GLU CB C 13 28.411 0.3 . 1 . . . . 205 GLU CB . 19522 1 1221 . 1 1 205 205 GLU N N 15 118.578 0.3 . 1 . . . . 205 GLU N . 19522 1 1222 . 1 1 206 206 SER H H 1 8.045 0.020 . 1 . . . . 206 SER H . 19522 1 1223 . 1 1 206 206 SER C C 13 174.719 0.3 . 1 . . . . 206 SER C . 19522 1 1224 . 1 1 206 206 SER CA C 13 58.377 0.3 . 1 . . . . 206 SER CA . 19522 1 1225 . 1 1 206 206 SER CB C 13 62.373 0.3 . 1 . . . . 206 SER CB . 19522 1 1226 . 1 1 206 206 SER N N 15 115.312 0.3 . 1 . . . . 206 SER N . 19522 1 1227 . 1 1 207 207 ARG H H 1 7.999 0.020 . 1 . . . . 207 ARG H . 19522 1 1228 . 1 1 207 207 ARG C C 13 175.978 0.3 . 1 . . . . 207 ARG C . 19522 1 1229 . 1 1 207 207 ARG CA C 13 55.740 0.3 . 1 . . . . 207 ARG CA . 19522 1 1230 . 1 1 207 207 ARG CB C 13 28.571 0.3 . 1 . . . . 207 ARG CB . 19522 1 1231 . 1 1 207 207 ARG N N 15 121.799 0.3 . 1 . . . . 207 ARG N . 19522 1 1232 . 1 1 208 208 LYS H H 1 8.164 0.020 . 1 . . . . 208 LYS H . 19522 1 1233 . 1 1 208 208 LYS C C 13 177.157 0.3 . 1 . . . . 208 LYS C . 19522 1 1234 . 1 1 208 208 LYS CA C 13 56.220 0.3 . 1 . . . . 208 LYS CA . 19522 1 1235 . 1 1 208 208 LYS CB C 13 31.128 0.3 . 1 . . . . 208 LYS CB . 19522 1 1236 . 1 1 208 208 LYS N N 15 121.165 0.3 . 1 . . . . 208 LYS N . 19522 1 1237 . 1 1 209 209 GLY H H 1 8.342 0.020 . 1 . . . . 209 GLY H . 19522 1 1238 . 1 1 209 209 GLY C C 13 173.900 0.3 . 1 . . . . 209 GLY C . 19522 1 1239 . 1 1 209 209 GLY CA C 13 44.553 0.3 . 1 . . . . 209 GLY CA . 19522 1 1240 . 1 1 209 209 GLY N N 15 109.505 0.3 . 1 . . . . 209 GLY N . 19522 1 1241 . 1 1 210 210 GLN H H 1 8.060 0.020 . 1 . . . . 210 GLN H . 19522 1 1242 . 1 1 210 210 GLN C C 13 176.877 0.3 . 1 . . . . 210 GLN C . 19522 1 1243 . 1 1 210 210 GLN CA C 13 55.101 0.3 . 1 . . . . 210 GLN CA . 19522 1 1244 . 1 1 210 210 GLN CB C 13 28.011 0.3 . 1 . . . . 210 GLN CB . 19522 1 1245 . 1 1 210 210 GLN N N 15 119.207 0.3 . 1 . . . . 210 GLN N . 19522 1 1246 . 1 1 211 211 GLU H H 1 8.517 0.020 . 1 . . . . 211 GLU H . 19522 1 1247 . 1 1 211 211 GLU C C 13 175.741 0.3 . 1 . . . . 211 GLU C . 19522 1 1248 . 1 1 211 211 GLU CA C 13 56.300 0.3 . 1 . . . . 211 GLU CA . 19522 1 1249 . 1 1 211 211 GLU CB C 13 28.913 0.3 . 1 . . . . 211 GLU CB . 19522 1 1250 . 1 1 211 211 GLU N N 15 121.150 0.3 . 1 . . . . 211 GLU N . 19522 1 1251 . 1 1 212 212 ARG H H 1 8.397 0.020 . 1 . . . . 212 ARG H . 19522 1 1252 . 1 1 212 212 ARG CA C 13 55.900 0.3 . 1 . . . . 212 ARG CA . 19522 1 1253 . 1 1 212 212 ARG CB C 13 29.050 0.3 . 1 . . . . 212 ARG CB . 19522 1 1254 . 1 1 212 212 ARG N N 15 122.133 0.3 . 1 . . . . 212 ARG N . 19522 1 stop_ save_