data_15845 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15845 _Entry.Title ; Mouse Prion Protein (121-231) with Mutation S170N ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-30 _Entry.Accession_date 2008-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Daniel Perez . R. . 15845 2 Kurt Wuthrich . . . 15845 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 . 'not applicable' 'not applicable' . 15845 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bank vole' . 15845 'mouse prion protein' . 15845 mutation . 15845 S170N . 15845 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15845 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 15845 '15N chemical shifts' 135 15845 '1H chemical shifts' 396 15845 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-02-26 2008-06-30 update BMRB 'complete entry citation' 15845 1 . . 2008-09-12 2008-06-30 original author 'original release' 15845 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K5O 'BMRB Entry Tracking System' 15845 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15845 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18773909 _Citation.Full_citation . _Citation.Title 'NMR Structure of the Bank Vole Prion Protein at 20 degrees C Contains a Structured Loop of Residues 165-171' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 383 _Citation.Journal_issue 2 _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 306 _Citation.Page_last 312 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Barbara Christen . . . 15845 1 2 Daniel Perez . R. . 15845 1 3 Simone Hornemann . . . 15845 1 4 Kurt Wuthrich . . . 15845 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15845 _Assembly.ID 1 _Assembly.Name 'Prion Protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Prion Protein' 1 $Prion_Protein A . yes native no no . . . 15845 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 'Prion Protein' 1 CYS 61 61 SG . 1 'Prion Protein' 1 CYS 96 96 SG . 'Prion Protein' 61 cys SG . 'Prion Protein' 96 cys SG 15845 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prion_Protein _Entity.Sf_category entity _Entity.Sf_framecode Prion_Protein _Entity.Entry_ID 15845 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prion_Protein _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 ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYNNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYDGRRSS ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15824 . Prion_Protein . . . . . 99.12 113 97.35 98.23 2.17e-75 . . . . 15845 1 2 no BMRB 16071 . mPrP90 . . . . . 99.12 144 98.23 100.00 2.29e-77 . . . . 15845 1 3 no BMRB 16075 . mPrP90_M129V . . . . . 99.12 141 97.35 100.00 1.01e-76 . . . . 15845 1 4 no BMRB 16076 . mPrP90_P102L . . . . . 99.12 141 98.23 100.00 1.71e-77 . . . . 15845 1 5 no BMRB 16077 . mPrP90_P105L . . . . . 99.12 141 98.23 100.00 1.71e-77 . . . . 15845 1 6 no BMRB 16078 . mPrP90_A117V . . . . . 99.12 142 98.23 100.00 3.44e-77 . . . . 15845 1 7 no BMRB 16079 . mPrP90_3AV . . . . . 99.12 142 98.23 100.00 6.83e-77 . . . . 15845 1 8 no BMRB 16080 . mPrP90_2II . . . . . 99.12 142 98.23 100.00 2.62e-77 . . . . 15845 1 9 no BMRB 16184 . mpp_121-231 . . . . . 100.00 114 97.37 98.25 1.76e-76 . . . . 15845 1 10 no BMRB 16185 . mpp_121-231 . . . . . 100.00 114 98.25 99.12 1.07e-77 . . . . 15845 1 11 no BMRB 16722 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 98.23 99.12 1.35e-76 . . . . 15845 1 12 no BMRB 16723 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 97.35 98.23 7.43e-76 . . . . 15845 1 13 no BMRB 17081 . "Prion with Y169G mutation" . . . . . 100.00 114 98.25 99.12 8.55e-77 . . . . 15845 1 14 no BMRB 17082 . mPrP121-231_F175A . . . . . 100.00 114 98.25 99.12 4.54e-77 . . . . 15845 1 15 no BMRB 17084 . prion . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 15845 1 16 no BMRB 17174 . Mouse_prion . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 15845 1 17 no BMRB 17213 . entity . . . . . 100.00 114 98.25 99.12 2.93e-77 . . . . 15845 1 18 no BMRB 17758 . mPrP(121-232) . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 15845 1 19 no BMRB 17759 . mPrP(121-232) . . . . . 100.00 114 97.37 98.25 1.84e-75 . . . . 15845 1 20 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 89.47 103 99.02 100.00 4.31e-69 . . . . 15845 1 21 no PDB 1XYX . "Mouse Prion Protein Fragment 121-231" . . . . . 98.25 112 99.11 100.00 1.33e-76 . . . . 15845 1 22 no PDB 1Y15 . "Mouse Prion Protein With Mutation N174t" . . . . . 98.25 112 98.21 99.11 7.52e-76 . . . . 15845 1 23 no PDB 1Y16 . "Mouse Prion Protein With Mutations S170n And N174t" . . . . . 98.25 112 99.11 99.11 2.01e-76 . . . . 15845 1 24 no PDB 2K56 . "Bank Vole Prion Protein (121-231)" . . . . . 99.12 113 97.35 98.23 2.17e-75 . . . . 15845 1 25 no PDB 2K5O . "Mouse Prion Protein (121-231) With Mutation S170n" . . . . . 100.00 114 100.00 100.00 8.53e-79 . . . . 15845 1 26 no PDB 2KFM . "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" . . . . . 100.00 114 97.37 98.25 1.76e-76 . . . . 15845 1 27 no PDB 2KFO . "Mouse Prion Protein (121-231) With Mutation V166a" . . . . . 100.00 114 98.25 99.12 1.07e-77 . . . . 15845 1 28 no PDB 2KU5 . "Mouse Prion Protein (121-231) With Mutation D167s" . . . . . 99.12 113 98.23 99.12 1.35e-76 . . . . 15845 1 29 no PDB 2KU6 . "Mouse Prion Protein (121-231) With Mutations D167s And N173k" . . . . . 99.12 113 97.35 98.23 7.43e-76 . . . . 15845 1 30 no PDB 2L1D . "Mouse Prion Protein (121-231) Containing The Substitution Y169g" . . . . . 100.00 114 98.25 99.12 8.55e-77 . . . . 15845 1 31 no PDB 2L1E . "Mouse Prion Protein (121-231) Containing The Substitution F175a" . . . . . 100.00 114 98.25 99.12 4.54e-77 . . . . 15845 1 32 no PDB 2L1H . "Mouse Prion Protein Fragment 121-231 At 20 C" . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 15845 1 33 no PDB 2L39 . "Mouse Prion Protein Fragment 121-231 At 37 C" . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 15845 1 34 no PDB 2L40 . "Mouse Prion Protein (121-231) Containing The Substitution Y169a" . . . . . 100.00 114 98.25 99.12 2.93e-77 . . . . 15845 1 35 no PDB 4H88 . "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" . . . . . 97.37 111 98.20 99.10 2.98e-75 . . . . 15845 1 36 no PDB 4MA7 . "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" . . . . . 98.25 114 98.21 100.00 1.28e-76 . . . . 15845 1 37 no PDB 4MA8 . "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" . . . . . 98.25 114 98.21 100.00 1.28e-76 . . . . 15845 1 38 no DBJ BAA08790 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 97.37 100.00 1.33e-76 . . . . 15845 1 39 no DBJ BAE28320 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 100.00 1.14e-76 . . . . 15845 1 40 no DBJ BAE28693 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 99.12 3.62e-76 . . . . 15845 1 41 no DBJ BAE29994 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 99.12 4.26e-76 . . . . 15845 1 42 no DBJ BAE34221 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.25 100.00 6.23e-77 . . . . 15845 1 43 no EMBL CAJ18553 . "Prnp [Mus musculus]" . . . . . 100.00 254 98.25 100.00 6.16e-77 . . . . 15845 1 44 no GB AAA37013 . "prion protein [Cricetulus sp.]" . . . . . 100.00 254 97.37 99.12 4.26e-76 . . . . 15845 1 45 no GB AAA37014 . "prion protein, partial [Cricetulus migratorius]" . . . . . 100.00 254 97.37 99.12 5.13e-76 . . . . 15845 1 46 no GB AAA39996 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.37 100.00 3.08e-76 . . . . 15845 1 47 no GB AAA39997 . "prion protein [Mus musculus]" . . . . . 100.00 254 98.25 100.00 6.16e-77 . . . . 15845 1 48 no GB AAA39998 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.37 99.12 3.43e-76 . . . . 15845 1 49 no PIR B34759 . "prion protein - golden hamster" . . . . . 100.00 254 97.37 99.12 5.13e-76 . . . . 15845 1 50 no REF NP_001265185 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.25 100.00 6.16e-77 . . . . 15845 1 51 no REF NP_035300 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.25 100.00 6.16e-77 . . . . 15845 1 52 no REF NP_036763 . "major prion protein precursor [Rattus norvegicus]" . . . . . 100.00 254 97.37 100.00 1.33e-76 . . . . 15845 1 53 no REF XP_003499061 . "PREDICTED: major prion protein-like [Cricetulus griseus]" . . . . . 100.00 254 97.37 99.12 4.26e-76 . . . . 15845 1 54 no REF XP_006235124 . "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" . . . . . 100.00 254 97.37 100.00 1.33e-76 . . . . 15845 1 55 no SP P04925 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 254 98.25 100.00 6.16e-77 . . . . 15845 1 56 no SP P13852 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 97.37 100.00 1.33e-76 . . . . 15845 1 57 no SP Q60468 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 254 97.37 99.12 5.13e-76 . . . . 15845 1 58 no SP Q60506 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 254 97.37 99.12 4.26e-76 . . . . 15845 1 59 no SP Q9Z0T3 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 99.12 100.00 1.23e-77 . . . . 15845 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 . 15845 1 2 . SER . 15845 1 3 . VAL . 15845 1 4 . VAL . 15845 1 5 . GLY . 15845 1 6 . GLY . 15845 1 7 . LEU . 15845 1 8 . GLY . 15845 1 9 . GLY . 15845 1 10 . TYR . 15845 1 11 . MET . 15845 1 12 . LEU . 15845 1 13 . GLY . 15845 1 14 . SER . 15845 1 15 . ALA . 15845 1 16 . MET . 15845 1 17 . SER . 15845 1 18 . ARG . 15845 1 19 . PRO . 15845 1 20 . MET . 15845 1 21 . ILE . 15845 1 22 . HIS . 15845 1 23 . PHE . 15845 1 24 . GLY . 15845 1 25 . ASN . 15845 1 26 . ASP . 15845 1 27 . TRP . 15845 1 28 . GLU . 15845 1 29 . ASP . 15845 1 30 . ARG . 15845 1 31 . TYR . 15845 1 32 . TYR . 15845 1 33 . ARG . 15845 1 34 . GLU . 15845 1 35 . ASN . 15845 1 36 . MET . 15845 1 37 . TYR . 15845 1 38 . ARG . 15845 1 39 . TYR . 15845 1 40 . PRO . 15845 1 41 . ASN . 15845 1 42 . GLN . 15845 1 43 . VAL . 15845 1 44 . TYR . 15845 1 45 . TYR . 15845 1 46 . ARG . 15845 1 47 . PRO . 15845 1 48 . VAL . 15845 1 49 . ASP . 15845 1 50 . GLN . 15845 1 51 . TYR . 15845 1 52 . ASN . 15845 1 53 . ASN . 15845 1 54 . GLN . 15845 1 55 . ASN . 15845 1 56 . ASN . 15845 1 57 . PHE . 15845 1 58 . VAL . 15845 1 59 . HIS . 15845 1 60 . ASP . 15845 1 61 . CYS . 15845 1 62 . VAL . 15845 1 63 . ASN . 15845 1 64 . ILE . 15845 1 65 . THR . 15845 1 66 . ILE . 15845 1 67 . LYS . 15845 1 68 . GLN . 15845 1 69 . HIS . 15845 1 70 . THR . 15845 1 71 . VAL . 15845 1 72 . THR . 15845 1 73 . THR . 15845 1 74 . THR . 15845 1 75 . THR . 15845 1 76 . LYS . 15845 1 77 . GLY . 15845 1 78 . GLU . 15845 1 79 . ASN . 15845 1 80 . PHE . 15845 1 81 . THR . 15845 1 82 . GLU . 15845 1 83 . THR . 15845 1 84 . ASP . 15845 1 85 . VAL . 15845 1 86 . LYS . 15845 1 87 . MET . 15845 1 88 . MET . 15845 1 89 . GLU . 15845 1 90 . ARG . 15845 1 91 . VAL . 15845 1 92 . VAL . 15845 1 93 . GLU . 15845 1 94 . GLN . 15845 1 95 . MET . 15845 1 96 . CYS . 15845 1 97 . VAL . 15845 1 98 . THR . 15845 1 99 . GLN . 15845 1 100 . TYR . 15845 1 101 . GLN . 15845 1 102 . LYS . 15845 1 103 . GLU . 15845 1 104 . SER . 15845 1 105 . GLN . 15845 1 106 . ALA . 15845 1 107 . TYR . 15845 1 108 . TYR . 15845 1 109 . ASP . 15845 1 110 . GLY . 15845 1 111 . ARG . 15845 1 112 . ARG . 15845 1 113 . SER . 15845 1 114 . SER . 15845 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 15845 1 . SER 2 2 15845 1 . VAL 3 3 15845 1 . VAL 4 4 15845 1 . GLY 5 5 15845 1 . GLY 6 6 15845 1 . LEU 7 7 15845 1 . GLY 8 8 15845 1 . GLY 9 9 15845 1 . TYR 10 10 15845 1 . MET 11 11 15845 1 . LEU 12 12 15845 1 . GLY 13 13 15845 1 . SER 14 14 15845 1 . ALA 15 15 15845 1 . MET 16 16 15845 1 . SER 17 17 15845 1 . ARG 18 18 15845 1 . PRO 19 19 15845 1 . MET 20 20 15845 1 . ILE 21 21 15845 1 . HIS 22 22 15845 1 . PHE 23 23 15845 1 . GLY 24 24 15845 1 . ASN 25 25 15845 1 . ASP 26 26 15845 1 . TRP 27 27 15845 1 . GLU 28 28 15845 1 . ASP 29 29 15845 1 . ARG 30 30 15845 1 . TYR 31 31 15845 1 . TYR 32 32 15845 1 . ARG 33 33 15845 1 . GLU 34 34 15845 1 . ASN 35 35 15845 1 . MET 36 36 15845 1 . TYR 37 37 15845 1 . ARG 38 38 15845 1 . TYR 39 39 15845 1 . PRO 40 40 15845 1 . ASN 41 41 15845 1 . GLN 42 42 15845 1 . VAL 43 43 15845 1 . TYR 44 44 15845 1 . TYR 45 45 15845 1 . ARG 46 46 15845 1 . PRO 47 47 15845 1 . VAL 48 48 15845 1 . ASP 49 49 15845 1 . GLN 50 50 15845 1 . TYR 51 51 15845 1 . ASN 52 52 15845 1 . ASN 53 53 15845 1 . GLN 54 54 15845 1 . ASN 55 55 15845 1 . ASN 56 56 15845 1 . PHE 57 57 15845 1 . VAL 58 58 15845 1 . HIS 59 59 15845 1 . ASP 60 60 15845 1 . CYS 61 61 15845 1 . VAL 62 62 15845 1 . ASN 63 63 15845 1 . ILE 64 64 15845 1 . THR 65 65 15845 1 . ILE 66 66 15845 1 . LYS 67 67 15845 1 . GLN 68 68 15845 1 . HIS 69 69 15845 1 . THR 70 70 15845 1 . VAL 71 71 15845 1 . THR 72 72 15845 1 . THR 73 73 15845 1 . THR 74 74 15845 1 . THR 75 75 15845 1 . LYS 76 76 15845 1 . GLY 77 77 15845 1 . GLU 78 78 15845 1 . ASN 79 79 15845 1 . PHE 80 80 15845 1 . THR 81 81 15845 1 . GLU 82 82 15845 1 . THR 83 83 15845 1 . ASP 84 84 15845 1 . VAL 85 85 15845 1 . LYS 86 86 15845 1 . MET 87 87 15845 1 . MET 88 88 15845 1 . GLU 89 89 15845 1 . ARG 90 90 15845 1 . VAL 91 91 15845 1 . VAL 92 92 15845 1 . GLU 93 93 15845 1 . GLN 94 94 15845 1 . MET 95 95 15845 1 . CYS 96 96 15845 1 . VAL 97 97 15845 1 . THR 98 98 15845 1 . GLN 99 99 15845 1 . TYR 100 100 15845 1 . GLN 101 101 15845 1 . LYS 102 102 15845 1 . GLU 103 103 15845 1 . SER 104 104 15845 1 . GLN 105 105 15845 1 . ALA 106 106 15845 1 . TYR 107 107 15845 1 . TYR 108 108 15845 1 . ASP 109 109 15845 1 . GLY 110 110 15845 1 . ARG 111 111 15845 1 . ARG 112 112 15845 1 . SER 113 113 15845 1 . SER 114 114 15845 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15845 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Prion_Protein . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15845 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 15845 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Prion_Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 15845 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 15845 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Prion Protein' '[U-99% 13C; U-99% 15N]' . . 1 $Prion_Protein . . 0.4 . . mM . . . . 15845 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15845 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15845 1 4 'sodium acetate' [U-2H] . . . . . . 10 . . mM . . . . 15845 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15845 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15845 _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' 0.01 . M 15845 1 pH 4.5 . pH 15845 1 pressure 1 . atm 15845 1 temperature 298.2 . K 15845 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15845 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15845 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15845 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15845 _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, Rochus' . . 15845 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15845 2 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 15845 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 15845 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15845 3 'peak picking' 15845 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15845 _Software.ID 4 _Software.Name DYANA _Software.Version 1.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15845 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15845 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 15845 _Software.ID 5 _Software.Name OPAL _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 15845 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15845 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15845 _Software.ID 6 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15845 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15845 6 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 15845 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15845 _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 DRX . 750 . . . 15845 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 15845 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15845 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15845 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 15845 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15845 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15845 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15845 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 15845 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 15845 1 2 '3D 1H-13C NOESY' . . . 15845 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 SER HA H 1 4.507 0.020 . 1 . . . . 120 SER HA . 15845 1 2 . 1 1 2 2 SER CA C 13 57.438 0.3 . 1 . . . . 120 SER CA . 15845 1 3 . 1 1 2 2 SER CB C 13 63.485 0.3 . 1 . . . . 120 SER CB . 15845 1 4 . 1 1 2 2 SER N N 15 115.676 0.3 . 1 . . . . 120 SER N . 15845 1 5 . 1 1 3 3 VAL HA H 1 4.098 0.020 . 1 . . . . 121 VAL HA . 15845 1 6 . 1 1 3 3 VAL HB H 1 1.967 0.020 . 1 . . . . 121 VAL HB . 15845 1 7 . 1 1 3 3 VAL CA C 13 61.732 0.3 . 1 . . . . 121 VAL CA . 15845 1 8 . 1 1 3 3 VAL CB C 13 32.266 0.3 . 1 . . . . 121 VAL CB . 15845 1 9 . 1 1 3 3 VAL CG1 C 13 20.129 0.3 . 1 . . . . 121 VAL CG1 . 15845 1 10 . 1 1 3 3 VAL CG2 C 13 20.756 0.3 . 1 . . . . 121 VAL CG2 . 15845 1 11 . 1 1 3 3 VAL N N 15 122.167 0.3 . 1 . . . . 121 VAL N . 15845 1 12 . 1 1 4 4 VAL HA H 1 4.012 0.020 . 1 . . . . 122 VAL HA . 15845 1 13 . 1 1 4 4 VAL HB H 1 1.953 0.020 . 1 . . . . 122 VAL HB . 15845 1 14 . 1 1 4 4 VAL CA C 13 61.878 0.3 . 1 . . . . 122 VAL CA . 15845 1 15 . 1 1 4 4 VAL CB C 13 32.210 0.3 . 1 . . . . 122 VAL CB . 15845 1 16 . 1 1 4 4 VAL CG1 C 13 20.350 0.3 . 1 . . . . 122 VAL CG1 . 15845 1 17 . 1 1 4 4 VAL CG2 C 13 20.718 0.3 . 1 . . . . 122 VAL CG2 . 15845 1 18 . 1 1 4 4 VAL N N 15 124.881 0.3 . 1 . . . . 122 VAL N . 15845 1 19 . 1 1 5 5 GLY CA C 13 44.712 0.3 . 1 . . . . 123 GLY CA . 15845 1 20 . 1 1 5 5 GLY N N 15 113.360 0.3 . 1 . . . . 123 GLY N . 15845 1 21 . 1 1 6 6 GLY CA C 13 44.841 0.3 . 1 . . . . 124 GLY CA . 15845 1 22 . 1 1 6 6 GLY N N 15 108.565 0.3 . 1 . . . . 124 GLY N . 15845 1 23 . 1 1 7 7 LEU HA H 1 4.282 0.020 . 1 . . . . 125 LEU HA . 15845 1 24 . 1 1 7 7 LEU HB2 H 1 1.458 0.020 . 2 . . . . 125 LEU HB2 . 15845 1 25 . 1 1 7 7 LEU HB3 H 1 1.535 0.020 . 2 . . . . 125 LEU HB3 . 15845 1 26 . 1 1 7 7 LEU HG H 1 1.417 0.020 . 1 . . . . 125 LEU HG . 15845 1 27 . 1 1 7 7 LEU CA C 13 54.330 0.3 . 1 . . . . 125 LEU CA . 15845 1 28 . 1 1 7 7 LEU CB C 13 41.993 0.3 . 1 . . . . 125 LEU CB . 15845 1 29 . 1 1 7 7 LEU CD1 C 13 24.265 0.3 . 1 . . . . 125 LEU CD1 . 15845 1 30 . 1 1 7 7 LEU CD2 C 13 23.146 0.3 . 1 . . . . 125 LEU CD2 . 15845 1 31 . 1 1 7 7 LEU CG C 13 26.493 0.3 . 1 . . . . 125 LEU CG . 15845 1 32 . 1 1 7 7 LEU N N 15 121.699 0.3 . 1 . . . . 125 LEU N . 15845 1 33 . 1 1 8 8 GLY HA2 H 1 3.816 0.020 . 1 . . . . 126 GLY HA2 . 15845 1 34 . 1 1 8 8 GLY CA C 13 45.772 0.3 . 1 . . . . 126 GLY CA . 15845 1 35 . 1 1 8 8 GLY N N 15 109.797 0.3 . 1 . . . . 126 GLY N . 15845 1 36 . 1 1 9 9 GLY HA2 H 1 3.839 0.020 . 1 . . . . 127 GLY HA2 . 15845 1 37 . 1 1 9 9 GLY CA C 13 44.652 0.3 . 1 . . . . 127 GLY CA . 15845 1 38 . 1 1 9 9 GLY N N 15 108.983 0.3 . 1 . . . . 127 GLY N . 15845 1 39 . 1 1 10 10 TYR HA H 1 4.359 0.020 . 1 . . . . 128 TYR HA . 15845 1 40 . 1 1 10 10 TYR HB2 H 1 2.831 0.020 . 2 . . . . 128 TYR HB2 . 15845 1 41 . 1 1 10 10 TYR HB3 H 1 2.766 0.020 . 2 . . . . 128 TYR HB3 . 15845 1 42 . 1 1 10 10 TYR CA C 13 57.512 0.3 . 1 . . . . 128 TYR CA . 15845 1 43 . 1 1 10 10 TYR CB C 13 39.651 0.3 . 1 . . . . 128 TYR CB . 15845 1 44 . 1 1 10 10 TYR CD1 C 13 133.037 0.3 . 1 . . . . 128 TYR CD1 . 15845 1 45 . 1 1 10 10 TYR CE1 C 13 118.236 0.3 . 1 . . . . 128 TYR CE1 . 15845 1 46 . 1 1 10 10 TYR N N 15 117.707 0.3 . 1 . . . . 128 TYR N . 15845 1 47 . 1 1 11 11 MET HA H 1 4.419 0.020 . 1 . . . . 129 MET HA . 15845 1 48 . 1 1 11 11 MET HB2 H 1 0.907 0.020 . 2 . . . . 129 MET HB2 . 15845 1 49 . 1 1 11 11 MET HB3 H 1 1.486 0.020 . 2 . . . . 129 MET HB3 . 15845 1 50 . 1 1 11 11 MET CA C 13 53.190 0.3 . 1 . . . . 129 MET CA . 15845 1 51 . 1 1 11 11 MET CB C 13 33.963 0.3 . 1 . . . . 129 MET CB . 15845 1 52 . 1 1 11 11 MET CE C 13 16.739 0.3 . 1 . . . . 129 MET CE . 15845 1 53 . 1 1 11 11 MET CG C 13 31.469 0.3 . 1 . . . . 129 MET CG . 15845 1 54 . 1 1 11 11 MET N N 15 121.214 0.3 . 1 . . . . 129 MET N . 15845 1 55 . 1 1 12 12 LEU HA H 1 4.377 0.020 . 1 . . . . 130 LEU HA . 15845 1 56 . 1 1 12 12 LEU HB2 H 1 0.875 0.020 . 2 . . . . 130 LEU HB2 . 15845 1 57 . 1 1 12 12 LEU HB3 H 1 1.509 0.020 . 2 . . . . 130 LEU HB3 . 15845 1 58 . 1 1 12 12 LEU HG H 1 1.291 0.020 . 1 . . . . 130 LEU HG . 15845 1 59 . 1 1 12 12 LEU CA C 13 52.755 0.3 . 1 . . . . 130 LEU CA . 15845 1 60 . 1 1 12 12 LEU CB C 13 43.055 0.3 . 1 . . . . 130 LEU CB . 15845 1 61 . 1 1 12 12 LEU CD1 C 13 21.350 0.3 . 1 . . . . 130 LEU CD1 . 15845 1 62 . 1 1 12 12 LEU CD2 C 13 25.341 0.3 . 1 . . . . 130 LEU CD2 . 15845 1 63 . 1 1 12 12 LEU CG C 13 25.588 0.3 . 1 . . . . 130 LEU CG . 15845 1 64 . 1 1 12 12 LEU N N 15 121.185 0.3 . 1 . . . . 130 LEU N . 15845 1 65 . 1 1 13 13 GLY HA2 H 1 4.340 0.020 . 1 . . . . 131 GLY HA2 . 15845 1 66 . 1 1 13 13 GLY CA C 13 44.501 0.3 . 1 . . . . 131 GLY CA . 15845 1 67 . 1 1 13 13 GLY N N 15 114.961 0.3 . 1 . . . . 131 GLY N . 15845 1 68 . 1 1 14 14 SER HA H 1 4.318 0.020 . 1 . . . . 132 SER HA . 15845 1 69 . 1 1 14 14 SER HB2 H 1 3.814 0.020 . 2 . . . . 132 SER HB2 . 15845 1 70 . 1 1 14 14 SER HB3 H 1 3.881 0.020 . 2 . . . . 132 SER HB3 . 15845 1 71 . 1 1 14 14 SER CA C 13 57.864 0.3 . 1 . . . . 132 SER CA . 15845 1 72 . 1 1 14 14 SER CB C 13 63.447 0.3 . 1 . . . . 132 SER CB . 15845 1 73 . 1 1 14 14 SER N N 15 113.579 0.3 . 1 . . . . 132 SER N . 15845 1 74 . 1 1 15 15 ALA HA H 1 4.326 0.020 . 1 . . . . 133 ALA HA . 15845 1 75 . 1 1 15 15 ALA CA C 13 52.285 0.3 . 1 . . . . 133 ALA CA . 15845 1 76 . 1 1 15 15 ALA CB C 13 17.984 0.3 . 1 . . . . 133 ALA CB . 15845 1 77 . 1 1 15 15 ALA N N 15 125.382 0.3 . 1 . . . . 133 ALA N . 15845 1 78 . 1 1 16 16 MET HA H 1 4.652 0.020 . 1 . . . . 134 MET HA . 15845 1 79 . 1 1 16 16 MET HB2 H 1 1.963 0.020 . 2 . . . . 134 MET HB2 . 15845 1 80 . 1 1 16 16 MET HB3 H 1 1.894 0.020 . 2 . . . . 134 MET HB3 . 15845 1 81 . 1 1 16 16 MET HG2 H 1 2.449 0.020 . 2 . . . . 134 MET HG2 . 15845 1 82 . 1 1 16 16 MET HG3 H 1 2.360 0.020 . 2 . . . . 134 MET HG3 . 15845 1 83 . 1 1 16 16 MET CA C 13 53.372 0.3 . 1 . . . . 134 MET CA . 15845 1 84 . 1 1 16 16 MET CB C 13 36.216 0.3 . 1 . . . . 134 MET CB . 15845 1 85 . 1 1 16 16 MET CE C 13 17.456 0.3 . 1 . . . . 134 MET CE . 15845 1 86 . 1 1 16 16 MET CG C 13 31.033 0.3 . 1 . . . . 134 MET CG . 15845 1 87 . 1 1 16 16 MET N N 15 121.373 0.3 . 1 . . . . 134 MET N . 15845 1 88 . 1 1 17 17 SER HA H 1 4.247 0.020 . 1 . . . . 135 SER HA . 15845 1 89 . 1 1 17 17 SER HB2 H 1 3.744 0.020 . 2 . . . . 135 SER HB2 . 15845 1 90 . 1 1 17 17 SER HB3 H 1 3.661 0.020 . 2 . . . . 135 SER HB3 . 15845 1 91 . 1 1 17 17 SER CA C 13 58.094 0.3 . 1 . . . . 135 SER CA . 15845 1 92 . 1 1 17 17 SER CB C 13 62.486 0.3 . 1 . . . . 135 SER CB . 15845 1 93 . 1 1 17 17 SER N N 15 115.954 0.3 . 1 . . . . 135 SER N . 15845 1 94 . 1 1 18 18 ARG HA H 1 4.290 0.020 . 1 . . . . 136 ARG HA . 15845 1 95 . 1 1 18 18 ARG HD2 H 1 2.972 0.020 . 2 . . . . 136 ARG HD2 . 15845 1 96 . 1 1 18 18 ARG HD3 H 1 2.863 0.020 . 2 . . . . 136 ARG HD3 . 15845 1 97 . 1 1 18 18 ARG HE H 1 6.773 0.020 . 1 . . . . 136 ARG HE . 15845 1 98 . 1 1 18 18 ARG CA C 13 54.174 0.3 . 1 . . . . 136 ARG CA . 15845 1 99 . 1 1 18 18 ARG CB C 13 28.325 0.3 . 1 . . . . 136 ARG CB . 15845 1 100 . 1 1 18 18 ARG CD C 13 43.419 0.3 . 1 . . . . 136 ARG CD . 15845 1 101 . 1 1 18 18 ARG CG C 13 28.912 0.3 . 1 . . . . 136 ARG CG . 15845 1 102 . 1 1 18 18 ARG N N 15 126.277 0.3 . 1 . . . . 136 ARG N . 15845 1 103 . 1 1 18 18 ARG NE N 15 85.877 0.3 . 1 . . . . 136 ARG NE . 15845 1 104 . 1 1 19 19 PRO HA H 1 4.331 0.020 . 1 . . . . 137 PRO HA . 15845 1 105 . 1 1 19 19 PRO HB2 H 1 1.677 0.020 . 2 . . . . 137 PRO HB2 . 15845 1 106 . 1 1 19 19 PRO HB3 H 1 2.140 0.020 . 2 . . . . 137 PRO HB3 . 15845 1 107 . 1 1 19 19 PRO HD2 H 1 3.555 0.020 . 2 . . . . 137 PRO HD2 . 15845 1 108 . 1 1 19 19 PRO HD3 H 1 3.828 0.020 . 2 . . . . 137 PRO HD3 . 15845 1 109 . 1 1 19 19 PRO HG2 H 1 1.919 0.020 . 2 . . . . 137 PRO HG2 . 15845 1 110 . 1 1 19 19 PRO HG3 H 1 1.933 0.020 . 2 . . . . 137 PRO HG3 . 15845 1 111 . 1 1 19 19 PRO CA C 13 61.673 0.3 . 1 . . . . 137 PRO CA . 15845 1 112 . 1 1 19 19 PRO CB C 13 31.785 0.3 . 1 . . . . 137 PRO CB . 15845 1 113 . 1 1 19 19 PRO CD C 13 49.965 0.3 . 1 . . . . 137 PRO CD . 15845 1 114 . 1 1 19 19 PRO CG C 13 26.756 0.3 . 1 . . . . 137 PRO CG . 15845 1 115 . 1 1 20 20 MET HA H 1 4.775 0.020 . 1 . . . . 138 MET HA . 15845 1 116 . 1 1 20 20 MET HG2 H 1 2.593 0.020 . 2 . . . . 138 MET HG2 . 15845 1 117 . 1 1 20 20 MET HG3 H 1 2.249 0.020 . 2 . . . . 138 MET HG3 . 15845 1 118 . 1 1 20 20 MET CA C 13 53.481 0.3 . 1 . . . . 138 MET CA . 15845 1 119 . 1 1 20 20 MET CB C 13 29.751 0.3 . 1 . . . . 138 MET CB . 15845 1 120 . 1 1 20 20 MET CE C 13 16.059 0.3 . 1 . . . . 138 MET CE . 15845 1 121 . 1 1 20 20 MET CG C 13 31.355 0.3 . 1 . . . . 138 MET CG . 15845 1 122 . 1 1 20 20 MET N N 15 122.027 0.3 . 1 . . . . 138 MET N . 15845 1 123 . 1 1 21 21 ILE HA H 1 3.738 0.020 . 1 . . . . 139 ILE HA . 15845 1 124 . 1 1 21 21 ILE HB H 1 0.708 0.020 . 1 . . . . 139 ILE HB . 15845 1 125 . 1 1 21 21 ILE HG12 H 1 0.793 0.020 . 2 . . . . 139 ILE HG12 . 15845 1 126 . 1 1 21 21 ILE HG13 H 1 0.633 0.020 . 2 . . . . 139 ILE HG13 . 15845 1 127 . 1 1 21 21 ILE CA C 13 58.868 0.3 . 1 . . . . 139 ILE CA . 15845 1 128 . 1 1 21 21 ILE CB C 13 38.472 0.3 . 1 . . . . 139 ILE CB . 15845 1 129 . 1 1 21 21 ILE CD1 C 13 12.086 0.3 . 1 . . . . 139 ILE CD1 . 15845 1 130 . 1 1 21 21 ILE CG1 C 13 26.096 0.3 . 1 . . . . 139 ILE CG1 . 15845 1 131 . 1 1 21 21 ILE CG2 C 13 16.738 0.3 . 1 . . . . 139 ILE CG2 . 15845 1 132 . 1 1 21 21 ILE N N 15 124.457 0.3 . 1 . . . . 139 ILE N . 15845 1 133 . 1 1 22 22 HIS HA H 1 4.821 0.020 . 1 . . . . 140 HIS HA . 15845 1 134 . 1 1 22 22 HIS HB2 H 1 3.195 0.020 . 2 . . . . 140 HIS HB2 . 15845 1 135 . 1 1 22 22 HIS HB3 H 1 2.856 0.020 . 2 . . . . 140 HIS HB3 . 15845 1 136 . 1 1 22 22 HIS HD2 H 1 7.138 0.020 . 1 . . . . 140 HIS HD2 . 15845 1 137 . 1 1 22 22 HIS HE1 H 1 8.487 0.020 . 1 . . . . 140 HIS HE1 . 15845 1 138 . 1 1 22 22 HIS CA C 13 53.412 0.3 . 1 . . . . 140 HIS CA . 15845 1 139 . 1 1 22 22 HIS CB C 13 28.954 0.3 . 1 . . . . 140 HIS CB . 15845 1 140 . 1 1 22 22 HIS CD2 C 13 119.832 0.3 . 1 . . . . 140 HIS CD2 . 15845 1 141 . 1 1 22 22 HIS CE1 C 13 136.371 0.3 . 1 . . . . 140 HIS CE1 . 15845 1 142 . 1 1 22 22 HIS N N 15 121.758 0.3 . 1 . . . . 140 HIS N . 15845 1 143 . 1 1 23 23 PHE HA H 1 4.170 0.020 . 1 . . . . 141 PHE HA . 15845 1 144 . 1 1 23 23 PHE HB2 H 1 2.692 0.020 . 2 . . . . 141 PHE HB2 . 15845 1 145 . 1 1 23 23 PHE HB3 H 1 3.206 0.020 . 2 . . . . 141 PHE HB3 . 15845 1 146 . 1 1 23 23 PHE HZ H 1 6.661 0.020 . 1 . . . . 141 PHE HZ . 15845 1 147 . 1 1 23 23 PHE CA C 13 59.053 0.3 . 1 . . . . 141 PHE CA . 15845 1 148 . 1 1 23 23 PHE CB C 13 40.315 0.3 . 1 . . . . 141 PHE CB . 15845 1 149 . 1 1 23 23 PHE CD1 C 13 132.082 0.3 . 1 . . . . 141 PHE CD1 . 15845 1 150 . 1 1 23 23 PHE CE1 C 13 131.184 0.3 . 1 . . . . 141 PHE CE1 . 15845 1 151 . 1 1 23 23 PHE CZ C 13 129.138 0.3 . 1 . . . . 141 PHE CZ . 15845 1 152 . 1 1 23 23 PHE N N 15 124.700 0.3 . 1 . . . . 141 PHE N . 15845 1 153 . 1 1 24 24 GLY HA2 H 1 4.023 0.020 . 1 . . . . 142 GLY HA2 . 15845 1 154 . 1 1 24 24 GLY CA C 13 45.211 0.3 . 1 . . . . 142 GLY CA . 15845 1 155 . 1 1 24 24 GLY N N 15 108.915 0.3 . 1 . . . . 142 GLY N . 15845 1 156 . 1 1 25 25 ASN HA H 1 4.793 0.020 . 1 . . . . 143 ASN HA . 15845 1 157 . 1 1 25 25 ASN HD21 H 1 7.493 0.020 . 1 . . . . 143 ASN HD21 . 15845 1 158 . 1 1 25 25 ASN HD22 H 1 7.322 0.020 . 1 . . . . 143 ASN HD22 . 15845 1 159 . 1 1 25 25 ASN CA C 13 51.931 0.3 . 1 . . . . 143 ASN CA . 15845 1 160 . 1 1 25 25 ASN CB C 13 41.028 0.3 . 1 . . . . 143 ASN CB . 15845 1 161 . 1 1 25 25 ASN N N 15 114.402 0.3 . 1 . . . . 143 ASN N . 15845 1 162 . 1 1 25 25 ASN ND2 N 15 115.710 0.3 . 1 . . . . 143 ASN ND2 . 15845 1 163 . 1 1 26 26 ASP HA H 1 4.351 0.020 . 1 . . . . 144 ASP HA . 15845 1 164 . 1 1 26 26 ASP CA C 13 57.295 0.3 . 1 . . . . 144 ASP CA . 15845 1 165 . 1 1 26 26 ASP CB C 13 40.514 0.3 . 1 . . . . 144 ASP CB . 15845 1 166 . 1 1 26 26 ASP N N 15 123.380 0.3 . 1 . . . . 144 ASP N . 15845 1 167 . 1 1 27 27 TRP HA H 1 4.145 0.020 . 1 . . . . 145 TRP HA . 15845 1 168 . 1 1 27 27 TRP HD1 H 1 7.254 0.020 . 1 . . . . 145 TRP HD1 . 15845 1 169 . 1 1 27 27 TRP HE1 H 1 10.136 0.020 . 1 . . . . 145 TRP HE1 . 15845 1 170 . 1 1 27 27 TRP HE3 H 1 7.274 0.020 . 1 . . . . 145 TRP HE3 . 15845 1 171 . 1 1 27 27 TRP HH2 H 1 6.813 0.020 . 1 . . . . 145 TRP HH2 . 15845 1 172 . 1 1 27 27 TRP HZ2 H 1 7.349 0.020 . 1 . . . . 145 TRP HZ2 . 15845 1 173 . 1 1 27 27 TRP HZ3 H 1 6.638 0.020 . 1 . . . . 145 TRP HZ3 . 15845 1 174 . 1 1 27 27 TRP CA C 13 61.170 0.3 . 1 . . . . 145 TRP CA . 15845 1 175 . 1 1 27 27 TRP CB C 13 27.803 0.3 . 1 . . . . 145 TRP CB . 15845 1 176 . 1 1 27 27 TRP CD1 C 13 127.624 0.3 . 1 . . . . 145 TRP CD1 . 15845 1 177 . 1 1 27 27 TRP CE3 C 13 120.617 0.3 . 1 . . . . 145 TRP CE3 . 15845 1 178 . 1 1 27 27 TRP CH2 C 13 124.896 0.3 . 1 . . . . 145 TRP CH2 . 15845 1 179 . 1 1 27 27 TRP CZ2 C 13 114.778 0.3 . 1 . . . . 145 TRP CZ2 . 15845 1 180 . 1 1 27 27 TRP CZ3 C 13 121.019 0.3 . 1 . . . . 145 TRP CZ3 . 15845 1 181 . 1 1 27 27 TRP N N 15 120.404 0.3 . 1 . . . . 145 TRP N . 15845 1 182 . 1 1 27 27 TRP NE1 N 15 129.295 0.3 . 1 . . . . 145 TRP NE1 . 15845 1 183 . 1 1 28 28 GLU HA H 1 3.360 0.020 . 1 . . . . 146 GLU HA . 15845 1 184 . 1 1 28 28 GLU HB2 H 1 1.742 0.020 . 2 . . . . 146 GLU HB2 . 15845 1 185 . 1 1 28 28 GLU HB3 H 1 1.178 0.020 . 2 . . . . 146 GLU HB3 . 15845 1 186 . 1 1 28 28 GLU HG2 H 1 2.036 0.020 . 2 . . . . 146 GLU HG2 . 15845 1 187 . 1 1 28 28 GLU HG3 H 1 1.507 0.020 . 2 . . . . 146 GLU HG3 . 15845 1 188 . 1 1 28 28 GLU CA C 13 59.250 0.3 . 1 . . . . 146 GLU CA . 15845 1 189 . 1 1 28 28 GLU CB C 13 29.001 0.3 . 1 . . . . 146 GLU CB . 15845 1 190 . 1 1 28 28 GLU CG C 13 36.710 0.3 . 1 . . . . 146 GLU CG . 15845 1 191 . 1 1 28 28 GLU N N 15 120.286 0.3 . 1 . . . . 146 GLU N . 15845 1 192 . 1 1 29 29 ASP HA H 1 4.583 0.020 . 1 . . . . 147 ASP HA . 15845 1 193 . 1 1 29 29 ASP HB2 H 1 2.750 0.020 . 2 . . . . 147 ASP HB2 . 15845 1 194 . 1 1 29 29 ASP HB3 H 1 2.829 0.020 . 2 . . . . 147 ASP HB3 . 15845 1 195 . 1 1 29 29 ASP CA C 13 57.914 0.3 . 1 . . . . 147 ASP CA . 15845 1 196 . 1 1 29 29 ASP CB C 13 39.985 0.3 . 1 . . . . 147 ASP CB . 15845 1 197 . 1 1 29 29 ASP N N 15 118.953 0.3 . 1 . . . . 147 ASP N . 15845 1 198 . 1 1 30 30 ARG HA H 1 3.880 0.020 . 1 . . . . 148 ARG HA . 15845 1 199 . 1 1 30 30 ARG HE H 1 7.358 0.020 . 1 . . . . 148 ARG HE . 15845 1 200 . 1 1 30 30 ARG HG2 H 1 1.637 0.020 . 2 . . . . 148 ARG HG2 . 15845 1 201 . 1 1 30 30 ARG HG3 H 1 1.396 0.020 . 2 . . . . 148 ARG HG3 . 15845 1 202 . 1 1 30 30 ARG CA C 13 59.068 0.3 . 1 . . . . 148 ARG CA . 15845 1 203 . 1 1 30 30 ARG CB C 13 29.311 0.3 . 1 . . . . 148 ARG CB . 15845 1 204 . 1 1 30 30 ARG CD C 13 42.944 0.3 . 1 . . . . 148 ARG CD . 15845 1 205 . 1 1 30 30 ARG CG C 13 27.207 0.3 . 1 . . . . 148 ARG CG . 15845 1 206 . 1 1 30 30 ARG N N 15 119.882 0.3 . 1 . . . . 148 ARG N . 15845 1 207 . 1 1 30 30 ARG NE N 15 85.455 0.3 . 1 . . . . 148 ARG NE . 15845 1 208 . 1 1 31 31 TYR HA H 1 3.646 0.020 . 1 . . . . 149 TYR HA . 15845 1 209 . 1 1 31 31 TYR HB2 H 1 2.591 0.020 . 2 . . . . 149 TYR HB2 . 15845 1 210 . 1 1 31 31 TYR HB3 H 1 2.230 0.020 . 2 . . . . 149 TYR HB3 . 15845 1 211 . 1 1 31 31 TYR CA C 13 61.655 0.3 . 1 . . . . 149 TYR CA . 15845 1 212 . 1 1 31 31 TYR CB C 13 37.743 0.3 . 1 . . . . 149 TYR CB . 15845 1 213 . 1 1 31 31 TYR CD1 C 13 133.794 0.3 . 1 . . . . 149 TYR CD1 . 15845 1 214 . 1 1 31 31 TYR CE1 C 13 118.189 0.3 . 1 . . . . 149 TYR CE1 . 15845 1 215 . 1 1 31 31 TYR N N 15 120.833 0.3 . 1 . . . . 149 TYR N . 15845 1 216 . 1 1 32 32 TYR HA H 1 3.991 0.020 . 1 . . . . 150 TYR HA . 15845 1 217 . 1 1 32 32 TYR HB2 H 1 3.461 0.020 . 2 . . . . 150 TYR HB2 . 15845 1 218 . 1 1 32 32 TYR HB3 H 1 3.120 0.020 . 2 . . . . 150 TYR HB3 . 15845 1 219 . 1 1 32 32 TYR CA C 13 62.499 0.3 . 1 . . . . 150 TYR CA . 15845 1 220 . 1 1 32 32 TYR CB C 13 37.985 0.3 . 1 . . . . 150 TYR CB . 15845 1 221 . 1 1 32 32 TYR CD1 C 13 133.600 0.3 . 1 . . . . 150 TYR CD1 . 15845 1 222 . 1 1 32 32 TYR CE1 C 13 118.362 0.3 . 1 . . . . 150 TYR CE1 . 15845 1 223 . 1 1 32 32 TYR N N 15 120.292 0.3 . 1 . . . . 150 TYR N . 15845 1 224 . 1 1 33 33 ARG HA H 1 3.767 0.020 . 1 . . . . 151 ARG HA . 15845 1 225 . 1 1 33 33 ARG HB2 H 1 1.870 0.020 . 2 . . . . 151 ARG HB2 . 15845 1 226 . 1 1 33 33 ARG HB3 H 1 1.943 0.020 . 2 . . . . 151 ARG HB3 . 15845 1 227 . 1 1 33 33 ARG HD2 H 1 3.262 0.020 . 2 . . . . 151 ARG HD2 . 15845 1 228 . 1 1 33 33 ARG HD3 H 1 3.188 0.020 . 2 . . . . 151 ARG HD3 . 15845 1 229 . 1 1 33 33 ARG HE H 1 7.376 0.020 . 1 . . . . 151 ARG HE . 15845 1 230 . 1 1 33 33 ARG HG2 H 1 1.900 0.020 . 2 . . . . 151 ARG HG2 . 15845 1 231 . 1 1 33 33 ARG HG3 H 1 1.664 0.020 . 2 . . . . 151 ARG HG3 . 15845 1 232 . 1 1 33 33 ARG CA C 13 59.365 0.3 . 1 . . . . 151 ARG CA . 15845 1 233 . 1 1 33 33 ARG CB C 13 29.400 0.3 . 1 . . . . 151 ARG CB . 15845 1 234 . 1 1 33 33 ARG CD C 13 43.030 0.3 . 1 . . . . 151 ARG CD . 15845 1 235 . 1 1 33 33 ARG CG C 13 27.828 0.3 . 1 . . . . 151 ARG CG . 15845 1 236 . 1 1 33 33 ARG N N 15 117.178 0.3 . 1 . . . . 151 ARG N . 15845 1 237 . 1 1 33 33 ARG NE N 15 85.148 0.3 . 1 . . . . 151 ARG NE . 15845 1 238 . 1 1 34 34 GLU HA H 1 4.007 0.020 . 1 . . . . 152 GLU HA . 15845 1 239 . 1 1 34 34 GLU HG2 H 1 2.358 0.020 . 2 . . . . 152 GLU HG2 . 15845 1 240 . 1 1 34 34 GLU HG3 H 1 2.149 0.020 . 2 . . . . 152 GLU HG3 . 15845 1 241 . 1 1 34 34 GLU CA C 13 57.118 0.3 . 1 . . . . 152 GLU CA . 15845 1 242 . 1 1 34 34 GLU CB C 13 29.315 0.3 . 1 . . . . 152 GLU CB . 15845 1 243 . 1 1 34 34 GLU CG C 13 35.381 0.3 . 1 . . . . 152 GLU CG . 15845 1 244 . 1 1 34 34 GLU N N 15 115.319 0.3 . 1 . . . . 152 GLU N . 15845 1 245 . 1 1 35 35 ASN HA H 1 4.412 0.020 . 1 . . . . 153 ASN HA . 15845 1 246 . 1 1 35 35 ASN HB2 H 1 2.147 0.020 . 2 . . . . 153 ASN HB2 . 15845 1 247 . 1 1 35 35 ASN HB3 H 1 2.050 0.020 . 2 . . . . 153 ASN HB3 . 15845 1 248 . 1 1 35 35 ASN HD21 H 1 6.641 0.020 . 1 . . . . 153 ASN HD21 . 15845 1 249 . 1 1 35 35 ASN HD22 H 1 6.420 0.020 . 1 . . . . 153 ASN HD22 . 15845 1 250 . 1 1 35 35 ASN CA C 13 54.286 0.3 . 1 . . . . 153 ASN CA . 15845 1 251 . 1 1 35 35 ASN CB C 13 40.740 0.3 . 1 . . . . 153 ASN CB . 15845 1 252 . 1 1 35 35 ASN N N 15 115.199 0.3 . 1 . . . . 153 ASN N . 15845 1 253 . 1 1 35 35 ASN ND2 N 15 116.591 0.3 . 1 . . . . 153 ASN ND2 . 15845 1 254 . 1 1 36 36 MET HA H 1 3.370 0.020 . 1 . . . . 154 MET HA . 15845 1 255 . 1 1 36 36 MET HB2 H 1 1.478 0.020 . 2 . . . . 154 MET HB2 . 15845 1 256 . 1 1 36 36 MET HB3 H 1 1.178 0.020 . 2 . . . . 154 MET HB3 . 15845 1 257 . 1 1 36 36 MET HG2 H 1 2.183 0.020 . 2 . . . . 154 MET HG2 . 15845 1 258 . 1 1 36 36 MET HG3 H 1 1.689 0.020 . 2 . . . . 154 MET HG3 . 15845 1 259 . 1 1 36 36 MET CA C 13 58.586 0.3 . 1 . . . . 154 MET CA . 15845 1 260 . 1 1 36 36 MET CB C 13 30.116 0.3 . 1 . . . . 154 MET CB . 15845 1 261 . 1 1 36 36 MET CE C 13 16.904 0.3 . 1 . . . . 154 MET CE . 15845 1 262 . 1 1 36 36 MET CG C 13 29.694 0.3 . 1 . . . . 154 MET CG . 15845 1 263 . 1 1 36 36 MET N N 15 118.168 0.3 . 1 . . . . 154 MET N . 15845 1 264 . 1 1 37 37 TYR HA H 1 4.050 0.020 . 1 . . . . 155 TYR HA . 15845 1 265 . 1 1 37 37 TYR HB2 H 1 2.849 0.020 . 2 . . . . 155 TYR HB2 . 15845 1 266 . 1 1 37 37 TYR HB3 H 1 2.911 0.020 . 2 . . . . 155 TYR HB3 . 15845 1 267 . 1 1 37 37 TYR CA C 13 58.806 0.3 . 1 . . . . 155 TYR CA . 15845 1 268 . 1 1 37 37 TYR CB C 13 35.723 0.3 . 1 . . . . 155 TYR CB . 15845 1 269 . 1 1 37 37 TYR CD1 C 13 133.311 0.3 . 1 . . . . 155 TYR CD1 . 15845 1 270 . 1 1 37 37 TYR CE1 C 13 118.531 0.3 . 1 . . . . 155 TYR CE1 . 15845 1 271 . 1 1 37 37 TYR N N 15 116.154 0.3 . 1 . . . . 155 TYR N . 15845 1 272 . 1 1 38 38 ARG HA H 1 3.944 0.020 . 1 . . . . 156 ARG HA . 15845 1 273 . 1 1 38 38 ARG HB2 H 1 1.241 0.020 . 2 . . . . 156 ARG HB2 . 15845 1 274 . 1 1 38 38 ARG HB3 H 1 1.871 0.020 . 2 . . . . 156 ARG HB3 . 15845 1 275 . 1 1 38 38 ARG HD2 H 1 3.107 0.020 . 2 . . . . 156 ARG HD2 . 15845 1 276 . 1 1 38 38 ARG HD3 H 1 2.980 0.020 . 2 . . . . 156 ARG HD3 . 15845 1 277 . 1 1 38 38 ARG HE H 1 7.202 0.020 . 1 . . . . 156 ARG HE . 15845 1 278 . 1 1 38 38 ARG HG2 H 1 1.178 0.020 . 2 . . . . 156 ARG HG2 . 15845 1 279 . 1 1 38 38 ARG HG3 H 1 0.538 0.020 . 2 . . . . 156 ARG HG3 . 15845 1 280 . 1 1 38 38 ARG HH21 H 1 6.343 0.020 . 1 . . . . 156 ARG HH21 . 15845 1 281 . 1 1 38 38 ARG CA C 13 55.770 0.3 . 1 . . . . 156 ARG CA . 15845 1 282 . 1 1 38 38 ARG CB C 13 30.164 0.3 . 1 . . . . 156 ARG CB . 15845 1 283 . 1 1 38 38 ARG CD C 13 43.872 0.3 . 1 . . . . 156 ARG CD . 15845 1 284 . 1 1 38 38 ARG CG C 13 26.879 0.3 . 1 . . . . 156 ARG CG . 15845 1 285 . 1 1 38 38 ARG N N 15 118.443 0.3 . 1 . . . . 156 ARG N . 15845 1 286 . 1 1 38 38 ARG NE N 15 84.905 0.3 . 1 . . . . 156 ARG NE . 15845 1 287 . 1 1 39 39 TYR HA H 1 4.936 0.020 . 1 . . . . 157 TYR HA . 15845 1 288 . 1 1 39 39 TYR CA C 13 52.292 0.3 . 1 . . . . 157 TYR CA . 15845 1 289 . 1 1 39 39 TYR CB C 13 34.648 0.3 . 1 . . . . 157 TYR CB . 15845 1 290 . 1 1 39 39 TYR CD1 C 13 131.458 0.3 . 1 . . . . 157 TYR CD1 . 15845 1 291 . 1 1 39 39 TYR CE1 C 13 117.323 0.3 . 1 . . . . 157 TYR CE1 . 15845 1 292 . 1 1 39 39 TYR N N 15 120.426 0.3 . 1 . . . . 157 TYR N . 15845 1 293 . 1 1 40 40 PRO HA H 1 4.343 0.020 . 1 . . . . 158 PRO HA . 15845 1 294 . 1 1 40 40 PRO HB2 H 1 1.613 0.020 . 2 . . . . 158 PRO HB2 . 15845 1 295 . 1 1 40 40 PRO HB3 H 1 2.334 0.020 . 2 . . . . 158 PRO HB3 . 15845 1 296 . 1 1 40 40 PRO HD2 H 1 3.097 0.020 . 2 . . . . 158 PRO HD2 . 15845 1 297 . 1 1 40 40 PRO HD3 H 1 3.284 0.020 . 2 . . . . 158 PRO HD3 . 15845 1 298 . 1 1 40 40 PRO HG2 H 1 1.478 0.020 . 2 . . . . 158 PRO HG2 . 15845 1 299 . 1 1 40 40 PRO HG3 H 1 1.253 0.020 . 2 . . . . 158 PRO HG3 . 15845 1 300 . 1 1 40 40 PRO CA C 13 62.916 0.3 . 1 . . . . 158 PRO CA . 15845 1 301 . 1 1 40 40 PRO CB C 13 31.899 0.3 . 1 . . . . 158 PRO CB . 15845 1 302 . 1 1 40 40 PRO CD C 13 49.267 0.3 . 1 . . . . 158 PRO CD . 15845 1 303 . 1 1 40 40 PRO CG C 13 26.605 0.3 . 1 . . . . 158 PRO CG . 15845 1 304 . 1 1 41 41 ASN HA H 1 4.637 0.020 . 1 . . . . 159 ASN HA . 15845 1 305 . 1 1 41 41 ASN HB2 H 1 3.610 0.020 . 2 . . . . 159 ASN HB2 . 15845 1 306 . 1 1 41 41 ASN HB3 H 1 2.304 0.020 . 2 . . . . 159 ASN HB3 . 15845 1 307 . 1 1 41 41 ASN HD21 H 1 7.407 0.020 . 1 . . . . 159 ASN HD21 . 15845 1 308 . 1 1 41 41 ASN HD22 H 1 6.714 0.020 . 1 . . . . 159 ASN HD22 . 15845 1 309 . 1 1 41 41 ASN CA C 13 50.946 0.3 . 1 . . . . 159 ASN CA . 15845 1 310 . 1 1 41 41 ASN CB C 13 37.690 0.3 . 1 . . . . 159 ASN CB . 15845 1 311 . 1 1 41 41 ASN N N 15 115.630 0.3 . 1 . . . . 159 ASN N . 15845 1 312 . 1 1 41 41 ASN ND2 N 15 108.996 0.3 . 1 . . . . 159 ASN ND2 . 15845 1 313 . 1 1 42 42 GLN HA H 1 4.498 0.020 . 1 . . . . 160 GLN HA . 15845 1 314 . 1 1 42 42 GLN HB2 H 1 1.876 0.020 . 2 . . . . 160 GLN HB2 . 15845 1 315 . 1 1 42 42 GLN HB3 H 1 1.610 0.020 . 2 . . . . 160 GLN HB3 . 15845 1 316 . 1 1 42 42 GLN HE21 H 1 7.811 0.020 . 1 . . . . 160 GLN HE21 . 15845 1 317 . 1 1 42 42 GLN HE22 H 1 6.905 0.020 . 1 . . . . 160 GLN HE22 . 15845 1 318 . 1 1 42 42 GLN HG2 H 1 2.103 0.020 . 2 . . . . 160 GLN HG2 . 15845 1 319 . 1 1 42 42 GLN HG3 H 1 1.940 0.020 . 2 . . . . 160 GLN HG3 . 15845 1 320 . 1 1 42 42 GLN CA C 13 53.615 0.3 . 1 . . . . 160 GLN CA . 15845 1 321 . 1 1 42 42 GLN CB C 13 33.178 0.3 . 1 . . . . 160 GLN CB . 15845 1 322 . 1 1 42 42 GLN CG C 13 33.646 0.3 . 1 . . . . 160 GLN CG . 15845 1 323 . 1 1 42 42 GLN N N 15 113.906 0.3 . 1 . . . . 160 GLN N . 15845 1 324 . 1 1 42 42 GLN NE2 N 15 112.580 0.3 . 1 . . . . 160 GLN NE2 . 15845 1 325 . 1 1 43 43 VAL HA H 1 4.832 0.020 . 1 . . . . 161 VAL HA . 15845 1 326 . 1 1 43 43 VAL HB H 1 2.508 0.020 . 1 . . . . 161 VAL HB . 15845 1 327 . 1 1 43 43 VAL CA C 13 58.095 0.3 . 1 . . . . 161 VAL CA . 15845 1 328 . 1 1 43 43 VAL CB C 13 33.511 0.3 . 1 . . . . 161 VAL CB . 15845 1 329 . 1 1 43 43 VAL CG1 C 13 23.325 0.3 . 1 . . . . 161 VAL CG1 . 15845 1 330 . 1 1 43 43 VAL CG2 C 13 17.763 0.3 . 1 . . . . 161 VAL CG2 . 15845 1 331 . 1 1 43 43 VAL N N 15 112.859 0.3 . 1 . . . . 161 VAL N . 15845 1 332 . 1 1 44 44 TYR HA H 1 5.479 0.020 . 1 . . . . 162 TYR HA . 15845 1 333 . 1 1 44 44 TYR HB2 H 1 2.509 0.020 . 2 . . . . 162 TYR HB2 . 15845 1 334 . 1 1 44 44 TYR HB3 H 1 2.473 0.020 . 2 . . . . 162 TYR HB3 . 15845 1 335 . 1 1 44 44 TYR CA C 13 56.277 0.3 . 1 . . . . 162 TYR CA . 15845 1 336 . 1 1 44 44 TYR CB C 13 41.495 0.3 . 1 . . . . 162 TYR CB . 15845 1 337 . 1 1 44 44 TYR CD1 C 13 133.117 0.3 . 1 . . . . 162 TYR CD1 . 15845 1 338 . 1 1 44 44 TYR CE1 C 13 118.286 0.3 . 1 . . . . 162 TYR CE1 . 15845 1 339 . 1 1 44 44 TYR N N 15 121.148 0.3 . 1 . . . . 162 TYR N . 15845 1 340 . 1 1 45 45 TYR HA H 1 4.758 0.020 . 1 . . . . 163 TYR HA . 15845 1 341 . 1 1 45 45 TYR HB2 H 1 2.769 0.020 . 2 . . . . 163 TYR HB2 . 15845 1 342 . 1 1 45 45 TYR HB3 H 1 2.607 0.020 . 2 . . . . 163 TYR HB3 . 15845 1 343 . 1 1 45 45 TYR CA C 13 55.384 0.3 . 1 . . . . 163 TYR CA . 15845 1 344 . 1 1 45 45 TYR CB C 13 39.748 0.3 . 1 . . . . 163 TYR CB . 15845 1 345 . 1 1 45 45 TYR CD1 C 13 134.100 0.3 . 1 . . . . 163 TYR CD1 . 15845 1 346 . 1 1 45 45 TYR CE1 C 13 117.816 0.3 . 1 . . . . 163 TYR CE1 . 15845 1 347 . 1 1 45 45 TYR N N 15 110.983 0.3 . 1 . . . . 163 TYR N . 15845 1 348 . 1 1 46 46 ARG HA H 1 4.554 0.020 . 1 . . . . 164 ARG HA . 15845 1 349 . 1 1 46 46 ARG HB2 H 1 1.776 0.020 . 2 . . . . 164 ARG HB2 . 15845 1 350 . 1 1 46 46 ARG HB3 H 1 1.593 0.020 . 2 . . . . 164 ARG HB3 . 15845 1 351 . 1 1 46 46 ARG HD2 H 1 2.736 0.020 . 2 . . . . 164 ARG HD2 . 15845 1 352 . 1 1 46 46 ARG HD3 H 1 2.782 0.020 . 2 . . . . 164 ARG HD3 . 15845 1 353 . 1 1 46 46 ARG HG2 H 1 0.870 0.020 . 2 . . . . 164 ARG HG2 . 15845 1 354 . 1 1 46 46 ARG HG3 H 1 1.020 0.020 . 2 . . . . 164 ARG HG3 . 15845 1 355 . 1 1 46 46 ARG CA C 13 52.972 0.3 . 1 . . . . 164 ARG CA . 15845 1 356 . 1 1 46 46 ARG CB C 13 29.527 0.3 . 1 . . . . 164 ARG CB . 15845 1 357 . 1 1 46 46 ARG CD C 13 43.141 0.3 . 1 . . . . 164 ARG CD . 15845 1 358 . 1 1 46 46 ARG CG C 13 27.393 0.3 . 1 . . . . 164 ARG CG . 15845 1 359 . 1 1 46 46 ARG N N 15 120.366 0.3 . 1 . . . . 164 ARG N . 15845 1 360 . 1 1 47 47 PRO HA H 1 4.494 0.020 . 1 . . . . 165 PRO HA . 15845 1 361 . 1 1 47 47 PRO HB2 H 1 1.916 0.020 . 2 . . . . 165 PRO HB2 . 15845 1 362 . 1 1 47 47 PRO HB3 H 1 2.399 0.020 . 2 . . . . 165 PRO HB3 . 15845 1 363 . 1 1 47 47 PRO HD2 H 1 3.575 0.020 . 2 . . . . 165 PRO HD2 . 15845 1 364 . 1 1 47 47 PRO HD3 H 1 3.336 0.020 . 2 . . . . 165 PRO HD3 . 15845 1 365 . 1 1 47 47 PRO HG2 H 1 2.052 0.020 . 2 . . . . 165 PRO HG2 . 15845 1 366 . 1 1 47 47 PRO HG3 H 1 1.923 0.020 . 2 . . . . 165 PRO HG3 . 15845 1 367 . 1 1 47 47 PRO CA C 13 62.955 0.3 . 1 . . . . 165 PRO CA . 15845 1 368 . 1 1 47 47 PRO CB C 13 32.107 0.3 . 1 . . . . 165 PRO CB . 15845 1 369 . 1 1 47 47 PRO CD C 13 49.495 0.3 . 1 . . . . 165 PRO CD . 15845 1 370 . 1 1 47 47 PRO CG C 13 27.828 0.3 . 1 . . . . 165 PRO CG . 15845 1 371 . 1 1 48 48 VAL HA H 1 4.143 0.020 . 1 . . . . 166 VAL HA . 15845 1 372 . 1 1 48 48 VAL HB H 1 1.924 0.020 . 1 . . . . 166 VAL HB . 15845 1 373 . 1 1 48 48 VAL CA C 13 64.969 0.3 . 1 . . . . 166 VAL CA . 15845 1 374 . 1 1 48 48 VAL CB C 13 31.850 0.3 . 1 . . . . 166 VAL CB . 15845 1 375 . 1 1 48 48 VAL CG1 C 13 21.100 0.3 . 1 . . . . 166 VAL CG1 . 15845 1 376 . 1 1 48 48 VAL CG2 C 13 21.239 0.3 . 1 . . . . 166 VAL CG2 . 15845 1 377 . 1 1 48 48 VAL N N 15 119.067 0.3 . 1 . . . . 166 VAL N . 15845 1 378 . 1 1 49 49 ASP HA H 1 4.355 0.020 . 1 . . . . 167 ASP HA . 15845 1 379 . 1 1 49 49 ASP HB2 H 1 2.821 0.020 . 2 . . . . 167 ASP HB2 . 15845 1 380 . 1 1 49 49 ASP HB3 H 1 2.360 0.020 . 2 . . . . 167 ASP HB3 . 15845 1 381 . 1 1 49 49 ASP CA C 13 53.679 0.3 . 1 . . . . 167 ASP CA . 15845 1 382 . 1 1 49 49 ASP CB C 13 38.624 0.3 . 1 . . . . 167 ASP CB . 15845 1 383 . 1 1 49 49 ASP N N 15 117.336 0.3 . 1 . . . . 167 ASP N . 15845 1 384 . 1 1 50 50 GLN HA H 1 4.004 0.020 . 1 . . . . 168 GLN HA . 15845 1 385 . 1 1 50 50 GLN HB2 H 1 1.818 0.020 . 2 . . . . 168 GLN HB2 . 15845 1 386 . 1 1 50 50 GLN HB3 H 1 1.640 0.020 . 2 . . . . 168 GLN HB3 . 15845 1 387 . 1 1 50 50 GLN HE21 H 1 7.513 0.020 . 1 . . . . 168 GLN HE21 . 15845 1 388 . 1 1 50 50 GLN HE22 H 1 6.722 0.020 . 1 . . . . 168 GLN HE22 . 15845 1 389 . 1 1 50 50 GLN CA C 13 55.199 0.3 . 1 . . . . 168 GLN CA . 15845 1 390 . 1 1 50 50 GLN CB C 13 26.900 0.3 . 1 . . . . 168 GLN CB . 15845 1 391 . 1 1 50 50 GLN CG C 13 33.749 0.3 . 1 . . . . 168 GLN CG . 15845 1 392 . 1 1 50 50 GLN N N 15 117.488 0.3 . 1 . . . . 168 GLN N . 15845 1 393 . 1 1 50 50 GLN NE2 N 15 112.588 0.3 . 1 . . . . 168 GLN NE2 . 15845 1 394 . 1 1 51 51 TYR HA H 1 4.777 0.020 . 1 . . . . 169 TYR HA . 15845 1 395 . 1 1 51 51 TYR HB2 H 1 3.207 0.020 . 2 . . . . 169 TYR HB2 . 15845 1 396 . 1 1 51 51 TYR HB3 H 1 2.971 0.020 . 2 . . . . 169 TYR HB3 . 15845 1 397 . 1 1 51 51 TYR CA C 13 56.531 0.3 . 1 . . . . 169 TYR CA . 15845 1 398 . 1 1 51 51 TYR CB C 13 41.555 0.3 . 1 . . . . 169 TYR CB . 15845 1 399 . 1 1 51 51 TYR CD1 C 13 134.180 0.3 . 1 . . . . 169 TYR CD1 . 15845 1 400 . 1 1 51 51 TYR CE1 C 13 118.793 0.3 . 1 . . . . 169 TYR CE1 . 15845 1 401 . 1 1 51 51 TYR N N 15 116.925 0.3 . 1 . . . . 169 TYR N . 15845 1 402 . 1 1 52 52 ASN HA H 1 4.750 0.020 . 1 . . . . 170 ASN HA . 15845 1 403 . 1 1 52 52 ASN HB2 H 1 2.875 0.020 . 2 . . . . 170 ASN HB2 . 15845 1 404 . 1 1 52 52 ASN HB3 H 1 2.811 0.020 . 2 . . . . 170 ASN HB3 . 15845 1 405 . 1 1 52 52 ASN HD21 H 1 7.546 0.020 . 1 . . . . 170 ASN HD21 . 15845 1 406 . 1 1 52 52 ASN HD22 H 1 6.754 0.020 . 1 . . . . 170 ASN HD22 . 15845 1 407 . 1 1 52 52 ASN CA C 13 52.701 0.3 . 1 . . . . 170 ASN CA . 15845 1 408 . 1 1 52 52 ASN CB C 13 38.359 0.3 . 1 . . . . 170 ASN CB . 15845 1 409 . 1 1 52 52 ASN N N 15 117.119 0.3 . 1 . . . . 170 ASN N . 15845 1 410 . 1 1 52 52 ASN ND2 N 15 111.886 0.3 . 1 . . . . 170 ASN ND2 . 15845 1 411 . 1 1 53 53 ASN HA H 1 4.655 0.020 . 1 . . . . 171 ASN HA . 15845 1 412 . 1 1 53 53 ASN HB2 H 1 3.015 0.020 . 2 . . . . 171 ASN HB2 . 15845 1 413 . 1 1 53 53 ASN HB3 H 1 2.891 0.020 . 2 . . . . 171 ASN HB3 . 15845 1 414 . 1 1 53 53 ASN HD21 H 1 7.515 0.020 . 1 . . . . 171 ASN HD21 . 15845 1 415 . 1 1 53 53 ASN HD22 H 1 6.649 0.020 . 1 . . . . 171 ASN HD22 . 15845 1 416 . 1 1 53 53 ASN CA C 13 52.114 0.3 . 1 . . . . 171 ASN CA . 15845 1 417 . 1 1 53 53 ASN CB C 13 39.670 0.3 . 1 . . . . 171 ASN CB . 15845 1 418 . 1 1 53 53 ASN N N 15 113.184 0.3 . 1 . . . . 171 ASN N . 15845 1 419 . 1 1 53 53 ASN ND2 N 15 113.391 0.3 . 1 . . . . 171 ASN ND2 . 15845 1 420 . 1 1 54 54 GLN HA H 1 2.787 0.020 . 1 . . . . 172 GLN HA . 15845 1 421 . 1 1 54 54 GLN HB2 H 1 1.470 0.020 . 2 . . . . 172 GLN HB2 . 15845 1 422 . 1 1 54 54 GLN HB3 H 1 1.571 0.020 . 2 . . . . 172 GLN HB3 . 15845 1 423 . 1 1 54 54 GLN HE21 H 1 7.098 0.020 . 1 . . . . 172 GLN HE21 . 15845 1 424 . 1 1 54 54 GLN HE22 H 1 6.774 0.020 . 1 . . . . 172 GLN HE22 . 15845 1 425 . 1 1 54 54 GLN HG2 H 1 1.693 0.020 . 2 . . . . 172 GLN HG2 . 15845 1 426 . 1 1 54 54 GLN HG3 H 1 1.038 0.020 . 2 . . . . 172 GLN HG3 . 15845 1 427 . 1 1 54 54 GLN CA C 13 58.204 0.3 . 1 . . . . 172 GLN CA . 15845 1 428 . 1 1 54 54 GLN CB C 13 28.742 0.3 . 1 . . . . 172 GLN CB . 15845 1 429 . 1 1 54 54 GLN CG C 13 32.930 0.3 . 1 . . . . 172 GLN CG . 15845 1 430 . 1 1 54 54 GLN N N 15 120.629 0.3 . 1 . . . . 172 GLN N . 15845 1 431 . 1 1 54 54 GLN NE2 N 15 111.441 0.3 . 1 . . . . 172 GLN NE2 . 15845 1 432 . 1 1 55 55 ASN HA H 1 4.134 0.020 . 1 . . . . 173 ASN HA . 15845 1 433 . 1 1 55 55 ASN HB2 H 1 2.561 0.020 . 2 . . . . 173 ASN HB2 . 15845 1 434 . 1 1 55 55 ASN HB3 H 1 2.671 0.020 . 2 . . . . 173 ASN HB3 . 15845 1 435 . 1 1 55 55 ASN HD21 H 1 7.508 0.020 . 1 . . . . 173 ASN HD21 . 15845 1 436 . 1 1 55 55 ASN HD22 H 1 6.878 0.020 . 1 . . . . 173 ASN HD22 . 15845 1 437 . 1 1 55 55 ASN CA C 13 55.845 0.3 . 1 . . . . 173 ASN CA . 15845 1 438 . 1 1 55 55 ASN CB C 13 37.264 0.3 . 1 . . . . 173 ASN CB . 15845 1 439 . 1 1 55 55 ASN N N 15 117.349 0.3 . 1 . . . . 173 ASN N . 15845 1 440 . 1 1 55 55 ASN ND2 N 15 112.725 0.3 . 1 . . . . 173 ASN ND2 . 15845 1 441 . 1 1 56 56 ASN HA H 1 4.503 0.020 . 1 . . . . 174 ASN HA . 15845 1 442 . 1 1 56 56 ASN HB2 H 1 2.870 0.020 . 2 . . . . 174 ASN HB2 . 15845 1 443 . 1 1 56 56 ASN HB3 H 1 3.122 0.020 . 2 . . . . 174 ASN HB3 . 15845 1 444 . 1 1 56 56 ASN HD21 H 1 7.070 0.020 . 1 . . . . 174 ASN HD21 . 15845 1 445 . 1 1 56 56 ASN HD22 H 1 7.925 0.020 . 1 . . . . 174 ASN HD22 . 15845 1 446 . 1 1 56 56 ASN CA C 13 55.443 0.3 . 1 . . . . 174 ASN CA . 15845 1 447 . 1 1 56 56 ASN CB C 13 37.729 0.3 . 1 . . . . 174 ASN CB . 15845 1 448 . 1 1 56 56 ASN N N 15 118.278 0.3 . 1 . . . . 174 ASN N . 15845 1 449 . 1 1 56 56 ASN ND2 N 15 112.089 0.3 . 1 . . . . 174 ASN ND2 . 15845 1 450 . 1 1 57 57 PHE HA H 1 2.720 0.020 . 1 . . . . 175 PHE HA . 15845 1 451 . 1 1 57 57 PHE HB2 H 1 2.375 0.020 . 2 . . . . 175 PHE HB2 . 15845 1 452 . 1 1 57 57 PHE HB3 H 1 2.989 0.020 . 2 . . . . 175 PHE HB3 . 15845 1 453 . 1 1 57 57 PHE HZ H 1 7.049 0.020 . 1 . . . . 175 PHE HZ . 15845 1 454 . 1 1 57 57 PHE CA C 13 60.486 0.3 . 1 . . . . 175 PHE CA . 15845 1 455 . 1 1 57 57 PHE CB C 13 38.086 0.3 . 1 . . . . 175 PHE CB . 15845 1 456 . 1 1 57 57 PHE CD1 C 13 129.267 0.3 . 1 . . . . 175 PHE CD1 . 15845 1 457 . 1 1 57 57 PHE CE1 C 13 132.392 0.3 . 1 . . . . 175 PHE CE1 . 15845 1 458 . 1 1 57 57 PHE CZ C 13 134.261 0.3 . 1 . . . . 175 PHE CZ . 15845 1 459 . 1 1 57 57 PHE N N 15 121.474 0.3 . 1 . . . . 175 PHE N . 15845 1 460 . 1 1 58 58 VAL HA H 1 3.327 0.020 . 1 . . . . 176 VAL HA . 15845 1 461 . 1 1 58 58 VAL HB H 1 2.095 0.020 . 1 . . . . 176 VAL HB . 15845 1 462 . 1 1 58 58 VAL CA C 13 67.044 0.3 . 1 . . . . 176 VAL CA . 15845 1 463 . 1 1 58 58 VAL CB C 13 31.552 0.3 . 1 . . . . 176 VAL CB . 15845 1 464 . 1 1 58 58 VAL CG1 C 13 21.289 0.3 . 1 . . . . 176 VAL CG1 . 15845 1 465 . 1 1 58 58 VAL CG2 C 13 24.014 0.3 . 1 . . . . 176 VAL CG2 . 15845 1 466 . 1 1 58 58 VAL N N 15 120.133 0.3 . 1 . . . . 176 VAL N . 15845 1 467 . 1 1 59 59 HIS HA H 1 4.213 0.020 . 1 . . . . 177 HIS HA . 15845 1 468 . 1 1 59 59 HIS HD2 H 1 7.307 0.020 . 1 . . . . 177 HIS HD2 . 15845 1 469 . 1 1 59 59 HIS HE1 H 1 8.110 0.020 . 1 . . . . 177 HIS HE1 . 15845 1 470 . 1 1 59 59 HIS CA C 13 58.656 0.3 . 1 . . . . 177 HIS CA . 15845 1 471 . 1 1 59 59 HIS CB C 13 27.801 0.3 . 1 . . . . 177 HIS CB . 15845 1 472 . 1 1 59 59 HIS CD2 C 13 120.271 0.3 . 1 . . . . 177 HIS CD2 . 15845 1 473 . 1 1 59 59 HIS CE1 C 13 138.127 0.3 . 1 . . . . 177 HIS CE1 . 15845 1 474 . 1 1 59 59 HIS N N 15 116.516 0.3 . 1 . . . . 177 HIS N . 15845 1 475 . 1 1 60 60 ASP HA H 1 4.485 0.020 . 1 . . . . 178 ASP HA . 15845 1 476 . 1 1 60 60 ASP CA C 13 56.633 0.3 . 1 . . . . 178 ASP CA . 15845 1 477 . 1 1 60 60 ASP CB C 13 40.418 0.3 . 1 . . . . 178 ASP CB . 15845 1 478 . 1 1 60 60 ASP N N 15 118.620 0.3 . 1 . . . . 178 ASP N . 15845 1 479 . 1 1 61 61 CYS HA H 1 4.623 0.020 . 1 . . . . 179 CYS HA . 15845 1 480 . 1 1 61 61 CYS HB2 H 1 3.151 0.020 . 2 . . . . 179 CYS HB2 . 15845 1 481 . 1 1 61 61 CYS HB3 H 1 2.757 0.020 . 2 . . . . 179 CYS HB3 . 15845 1 482 . 1 1 61 61 CYS CA C 13 58.119 0.3 . 1 . . . . 179 CYS CA . 15845 1 483 . 1 1 61 61 CYS CB C 13 40.215 0.3 . 1 . . . . 179 CYS CB . 15845 1 484 . 1 1 61 61 CYS N N 15 119.533 0.3 . 1 . . . . 179 CYS N . 15845 1 485 . 1 1 62 62 VAL HA H 1 3.557 0.020 . 1 . . . . 180 VAL HA . 15845 1 486 . 1 1 62 62 VAL HB H 1 2.066 0.020 . 1 . . . . 180 VAL HB . 15845 1 487 . 1 1 62 62 VAL CA C 13 65.557 0.3 . 1 . . . . 180 VAL CA . 15845 1 488 . 1 1 62 62 VAL CB C 13 31.521 0.3 . 1 . . . . 180 VAL CB . 15845 1 489 . 1 1 62 62 VAL CG1 C 13 21.312 0.3 . 1 . . . . 180 VAL CG1 . 15845 1 490 . 1 1 62 62 VAL CG2 C 13 23.208 0.3 . 1 . . . . 180 VAL CG2 . 15845 1 491 . 1 1 62 62 VAL N N 15 124.562 0.3 . 1 . . . . 180 VAL N . 15845 1 492 . 1 1 63 63 ASN HA H 1 4.224 0.020 . 1 . . . . 181 ASN HA . 15845 1 493 . 1 1 63 63 ASN HB2 H 1 2.781 0.020 . 2 . . . . 181 ASN HB2 . 15845 1 494 . 1 1 63 63 ASN HB3 H 1 2.701 0.020 . 2 . . . . 181 ASN HB3 . 15845 1 495 . 1 1 63 63 ASN HD21 H 1 7.562 0.020 . 1 . . . . 181 ASN HD21 . 15845 1 496 . 1 1 63 63 ASN HD22 H 1 6.687 0.020 . 1 . . . . 181 ASN HD22 . 15845 1 497 . 1 1 63 63 ASN CA C 13 56.040 0.3 . 1 . . . . 181 ASN CA . 15845 1 498 . 1 1 63 63 ASN CB C 13 38.305 0.3 . 1 . . . . 181 ASN CB . 15845 1 499 . 1 1 63 63 ASN N N 15 116.397 0.3 . 1 . . . . 181 ASN N . 15845 1 500 . 1 1 63 63 ASN ND2 N 15 111.834 0.3 . 1 . . . . 181 ASN ND2 . 15845 1 501 . 1 1 64 64 ILE HA H 1 3.632 0.020 . 1 . . . . 182 ILE HA . 15845 1 502 . 1 1 64 64 ILE HB H 1 1.493 0.020 . 1 . . . . 182 ILE HB . 15845 1 503 . 1 1 64 64 ILE CA C 13 61.873 0.3 . 1 . . . . 182 ILE CA . 15845 1 504 . 1 1 64 64 ILE CB C 13 36.076 0.3 . 1 . . . . 182 ILE CB . 15845 1 505 . 1 1 64 64 ILE CD1 C 13 10.937 0.3 . 1 . . . . 182 ILE CD1 . 15845 1 506 . 1 1 64 64 ILE CG1 C 13 27.076 0.3 . 1 . . . . 182 ILE CG1 . 15845 1 507 . 1 1 64 64 ILE CG2 C 13 17.901 0.3 . 1 . . . . 182 ILE CG2 . 15845 1 508 . 1 1 64 64 ILE N N 15 118.843 0.3 . 1 . . . . 182 ILE N . 15845 1 509 . 1 1 65 65 THR HA H 1 3.970 0.020 . 1 . . . . 183 THR HA . 15845 1 510 . 1 1 65 65 THR HB H 1 4.399 0.020 . 1 . . . . 183 THR HB . 15845 1 511 . 1 1 65 65 THR HG1 H 1 6.313 0.020 . 1 . . . . 183 THR HG1 . 15845 1 512 . 1 1 65 65 THR CA C 13 68.362 0.3 . 1 . . . . 183 THR CA . 15845 1 513 . 1 1 65 65 THR CB C 13 67.732 0.3 . 1 . . . . 183 THR CB . 15845 1 514 . 1 1 65 65 THR CG2 C 13 21.892 0.3 . 1 . . . . 183 THR CG2 . 15845 1 515 . 1 1 65 65 THR N N 15 118.004 0.3 . 1 . . . . 183 THR N . 15845 1 516 . 1 1 66 66 ILE HA H 1 3.628 0.020 . 1 . . . . 184 ILE HA . 15845 1 517 . 1 1 66 66 ILE HB H 1 2.000 0.020 . 1 . . . . 184 ILE HB . 15845 1 518 . 1 1 66 66 ILE HG12 H 1 1.733 0.020 . 2 . . . . 184 ILE HG12 . 15845 1 519 . 1 1 66 66 ILE HG13 H 1 1.131 0.020 . 2 . . . . 184 ILE HG13 . 15845 1 520 . 1 1 66 66 ILE CA C 13 65.144 0.3 . 1 . . . . 184 ILE CA . 15845 1 521 . 1 1 66 66 ILE CB C 13 36.277 0.3 . 1 . . . . 184 ILE CB . 15845 1 522 . 1 1 66 66 ILE CD1 C 13 12.532 0.3 . 1 . . . . 184 ILE CD1 . 15845 1 523 . 1 1 66 66 ILE CG1 C 13 29.288 0.3 . 1 . . . . 184 ILE CG1 . 15845 1 524 . 1 1 66 66 ILE CG2 C 13 16.410 0.3 . 1 . . . . 184 ILE CG2 . 15845 1 525 . 1 1 66 66 ILE N N 15 120.715 0.3 . 1 . . . . 184 ILE N . 15845 1 526 . 1 1 67 67 LYS HA H 1 3.972 0.020 . 1 . . . . 185 LYS HA . 15845 1 527 . 1 1 67 67 LYS HG2 H 1 1.391 0.020 . 2 . . . . 185 LYS HG2 . 15845 1 528 . 1 1 67 67 LYS HG3 H 1 1.304 0.020 . 2 . . . . 185 LYS HG3 . 15845 1 529 . 1 1 67 67 LYS CA C 13 59.355 0.3 . 1 . . . . 185 LYS CA . 15845 1 530 . 1 1 67 67 LYS CB C 13 31.608 0.3 . 1 . . . . 185 LYS CB . 15845 1 531 . 1 1 67 67 LYS CD C 13 28.884 0.3 . 1 . . . . 185 LYS CD . 15845 1 532 . 1 1 67 67 LYS CE C 13 41.491 0.3 . 1 . . . . 185 LYS CE . 15845 1 533 . 1 1 67 67 LYS CG C 13 24.566 0.3 . 1 . . . . 185 LYS CG . 15845 1 534 . 1 1 67 67 LYS N N 15 122.635 0.3 . 1 . . . . 185 LYS N . 15845 1 535 . 1 1 68 68 GLN HA H 1 3.944 0.020 . 1 . . . . 186 GLN HA . 15845 1 536 . 1 1 68 68 GLN HB2 H 1 1.880 0.020 . 2 . . . . 186 GLN HB2 . 15845 1 537 . 1 1 68 68 GLN HB3 H 1 1.780 0.020 . 2 . . . . 186 GLN HB3 . 15845 1 538 . 1 1 68 68 GLN HE21 H 1 6.617 0.020 . 1 . . . . 186 GLN HE21 . 15845 1 539 . 1 1 68 68 GLN HE22 H 1 6.656 0.020 . 1 . . . . 186 GLN HE22 . 15845 1 540 . 1 1 68 68 GLN HG2 H 1 1.988 0.020 . 2 . . . . 186 GLN HG2 . 15845 1 541 . 1 1 68 68 GLN HG3 H 1 1.438 0.020 . 2 . . . . 186 GLN HG3 . 15845 1 542 . 1 1 68 68 GLN CA C 13 56.953 0.3 . 1 . . . . 186 GLN CA . 15845 1 543 . 1 1 68 68 GLN CB C 13 27.707 0.3 . 1 . . . . 186 GLN CB . 15845 1 544 . 1 1 68 68 GLN CG C 13 32.929 0.3 . 1 . . . . 186 GLN CG . 15845 1 545 . 1 1 68 68 GLN N N 15 116.167 0.3 . 1 . . . . 186 GLN N . 15845 1 546 . 1 1 68 68 GLN NE2 N 15 109.997 0.3 . 1 . . . . 186 GLN NE2 . 15845 1 547 . 1 1 69 69 HIS HA H 1 4.524 0.020 . 1 . . . . 187 HIS HA . 15845 1 548 . 1 1 69 69 HIS HD2 H 1 7.167 0.020 . 1 . . . . 187 HIS HD2 . 15845 1 549 . 1 1 69 69 HIS HE1 H 1 8.546 0.020 . 1 . . . . 187 HIS HE1 . 15845 1 550 . 1 1 69 69 HIS CA C 13 58.000 0.3 . 1 . . . . 187 HIS CA . 15845 1 551 . 1 1 69 69 HIS CB C 13 29.745 0.3 . 1 . . . . 187 HIS CB . 15845 1 552 . 1 1 69 69 HIS CD2 C 13 118.919 0.3 . 1 . . . . 187 HIS CD2 . 15845 1 553 . 1 1 69 69 HIS CE1 C 13 136.387 0.3 . 1 . . . . 187 HIS CE1 . 15845 1 554 . 1 1 69 69 HIS N N 15 117.642 0.3 . 1 . . . . 187 HIS N . 15845 1 555 . 1 1 70 70 THR HA H 1 4.136 0.020 . 1 . . . . 188 THR HA . 15845 1 556 . 1 1 70 70 THR HB H 1 4.331 0.020 . 1 . . . . 188 THR HB . 15845 1 557 . 1 1 70 70 THR CA C 13 64.293 0.3 . 1 . . . . 188 THR CA . 15845 1 558 . 1 1 70 70 THR CB C 13 68.683 0.3 . 1 . . . . 188 THR CB . 15845 1 559 . 1 1 70 70 THR CG2 C 13 21.171 0.3 . 1 . . . . 188 THR CG2 . 15845 1 560 . 1 1 70 70 THR N N 15 113.636 0.3 . 1 . . . . 188 THR N . 15845 1 561 . 1 1 71 71 VAL HA H 1 3.940 0.020 . 1 . . . . 189 VAL HA . 15845 1 562 . 1 1 71 71 VAL HB H 1 2.121 0.020 . 1 . . . . 189 VAL HB . 15845 1 563 . 1 1 71 71 VAL CA C 13 64.161 0.3 . 1 . . . . 189 VAL CA . 15845 1 564 . 1 1 71 71 VAL CB C 13 31.659 0.3 . 1 . . . . 189 VAL CB . 15845 1 565 . 1 1 71 71 VAL CG1 C 13 20.673 0.3 . 1 . . . . 189 VAL CG1 . 15845 1 566 . 1 1 71 71 VAL CG2 C 13 21.052 0.3 . 1 . . . . 189 VAL CG2 . 15845 1 567 . 1 1 71 71 VAL N N 15 121.870 0.3 . 1 . . . . 189 VAL N . 15845 1 568 . 1 1 72 72 THR HA H 1 4.175 0.020 . 1 . . . . 190 THR HA . 15845 1 569 . 1 1 72 72 THR HB H 1 4.182 0.020 . 1 . . . . 190 THR HB . 15845 1 570 . 1 1 72 72 THR CA C 13 63.229 0.3 . 1 . . . . 190 THR CA . 15845 1 571 . 1 1 72 72 THR CB C 13 68.931 0.3 . 1 . . . . 190 THR CB . 15845 1 572 . 1 1 72 72 THR CG2 C 13 21.305 0.3 . 1 . . . . 190 THR CG2 . 15845 1 573 . 1 1 72 72 THR N N 15 115.178 0.3 . 1 . . . . 190 THR N . 15845 1 574 . 1 1 73 73 THR HA H 1 4.157 0.020 . 1 . . . . 191 THR HA . 15845 1 575 . 1 1 73 73 THR HB H 1 4.095 0.020 . 1 . . . . 191 THR HB . 15845 1 576 . 1 1 73 73 THR CA C 13 63.157 0.3 . 1 . . . . 191 THR CA . 15845 1 577 . 1 1 73 73 THR CB C 13 68.600 0.3 . 1 . . . . 191 THR CB . 15845 1 578 . 1 1 73 73 THR CG2 C 13 21.119 0.3 . 1 . . . . 191 THR CG2 . 15845 1 579 . 1 1 73 73 THR N N 15 114.859 0.3 . 1 . . . . 191 THR N . 15845 1 580 . 1 1 74 74 THR HA H 1 4.303 0.020 . 1 . . . . 192 THR HA . 15845 1 581 . 1 1 74 74 THR HB H 1 4.279 0.020 . 1 . . . . 192 THR HB . 15845 1 582 . 1 1 74 74 THR CA C 13 63.177 0.3 . 1 . . . . 192 THR CA . 15845 1 583 . 1 1 74 74 THR CB C 13 68.716 0.3 . 1 . . . . 192 THR CB . 15845 1 584 . 1 1 74 74 THR CG2 C 13 21.154 0.3 . 1 . . . . 192 THR CG2 . 15845 1 585 . 1 1 74 74 THR N N 15 116.281 0.3 . 1 . . . . 192 THR N . 15845 1 586 . 1 1 75 75 THR HA H 1 4.165 0.020 . 1 . . . . 193 THR HA . 15845 1 587 . 1 1 75 75 THR HB H 1 4.197 0.020 . 1 . . . . 193 THR HB . 15845 1 588 . 1 1 75 75 THR CA C 13 62.966 0.3 . 1 . . . . 193 THR CA . 15845 1 589 . 1 1 75 75 THR CB C 13 68.725 0.3 . 1 . . . . 193 THR CB . 15845 1 590 . 1 1 75 75 THR CG2 C 13 21.428 0.3 . 1 . . . . 193 THR CG2 . 15845 1 591 . 1 1 75 75 THR N N 15 115.997 0.3 . 1 . . . . 193 THR N . 15845 1 592 . 1 1 76 76 LYS HA H 1 4.252 0.020 . 1 . . . . 194 LYS HA . 15845 1 593 . 1 1 76 76 LYS HB2 H 1 1.848 0.020 . 2 . . . . 194 LYS HB2 . 15845 1 594 . 1 1 76 76 LYS HB3 H 1 1.735 0.020 . 2 . . . . 194 LYS HB3 . 15845 1 595 . 1 1 76 76 LYS HG2 H 1 1.420 0.020 . 2 . . . . 194 LYS HG2 . 15845 1 596 . 1 1 76 76 LYS HG3 H 1 1.364 0.020 . 2 . . . . 194 LYS HG3 . 15845 1 597 . 1 1 76 76 LYS CA C 13 55.955 0.3 . 1 . . . . 194 LYS CA . 15845 1 598 . 1 1 76 76 LYS CB C 13 32.023 0.3 . 1 . . . . 194 LYS CB . 15845 1 599 . 1 1 76 76 LYS CD C 13 28.682 0.3 . 1 . . . . 194 LYS CD . 15845 1 600 . 1 1 76 76 LYS CE C 13 41.595 0.3 . 1 . . . . 194 LYS CE . 15845 1 601 . 1 1 76 76 LYS CG C 13 24.439 0.3 . 1 . . . . 194 LYS CG . 15845 1 602 . 1 1 76 76 LYS N N 15 121.290 0.3 . 1 . . . . 194 LYS N . 15845 1 603 . 1 1 77 77 GLY HA2 H 1 3.962 0.020 . 1 . . . . 195 GLY HA2 . 15845 1 604 . 1 1 77 77 GLY CA C 13 44.953 0.3 . 1 . . . . 195 GLY CA . 15845 1 605 . 1 1 77 77 GLY N N 15 109.052 0.3 . 1 . . . . 195 GLY N . 15845 1 606 . 1 1 78 78 GLU HA H 1 4.171 0.020 . 1 . . . . 196 GLU HA . 15845 1 607 . 1 1 78 78 GLU HG2 H 1 2.018 0.020 . 2 . . . . 196 GLU HG2 . 15845 1 608 . 1 1 78 78 GLU HG3 H 1 2.064 0.020 . 2 . . . . 196 GLU HG3 . 15845 1 609 . 1 1 78 78 GLU CA C 13 55.176 0.3 . 1 . . . . 196 GLU CA . 15845 1 610 . 1 1 78 78 GLU CB C 13 30.023 0.3 . 1 . . . . 196 GLU CB . 15845 1 611 . 1 1 78 78 GLU CG C 13 34.751 0.3 . 1 . . . . 196 GLU CG . 15845 1 612 . 1 1 78 78 GLU N N 15 119.913 0.3 . 1 . . . . 196 GLU N . 15845 1 613 . 1 1 79 79 ASN HA H 1 4.581 0.020 . 1 . . . . 197 ASN HA . 15845 1 614 . 1 1 79 79 ASN HB2 H 1 2.629 0.020 . 2 . . . . 197 ASN HB2 . 15845 1 615 . 1 1 79 79 ASN HB3 H 1 2.554 0.020 . 2 . . . . 197 ASN HB3 . 15845 1 616 . 1 1 79 79 ASN HD21 H 1 7.462 0.020 . 1 . . . . 197 ASN HD21 . 15845 1 617 . 1 1 79 79 ASN HD22 H 1 6.756 0.020 . 1 . . . . 197 ASN HD22 . 15845 1 618 . 1 1 79 79 ASN CA C 13 52.324 0.3 . 1 . . . . 197 ASN CA . 15845 1 619 . 1 1 79 79 ASN CB C 13 39.498 0.3 . 1 . . . . 197 ASN CB . 15845 1 620 . 1 1 79 79 ASN N N 15 119.794 0.3 . 1 . . . . 197 ASN N . 15845 1 621 . 1 1 79 79 ASN ND2 N 15 112.946 0.3 . 1 . . . . 197 ASN ND2 . 15845 1 622 . 1 1 80 80 PHE HA H 1 5.169 0.020 . 1 . . . . 198 PHE HA . 15845 1 623 . 1 1 80 80 PHE HB2 H 1 2.907 0.020 . 2 . . . . 198 PHE HB2 . 15845 1 624 . 1 1 80 80 PHE HB3 H 1 3.094 0.020 . 2 . . . . 198 PHE HB3 . 15845 1 625 . 1 1 80 80 PHE CA C 13 56.195 0.3 . 1 . . . . 198 PHE CA . 15845 1 626 . 1 1 80 80 PHE CB C 13 39.578 0.3 . 1 . . . . 198 PHE CB . 15845 1 627 . 1 1 80 80 PHE CD1 C 13 130.089 0.3 . 1 . . . . 198 PHE CD1 . 15845 1 628 . 1 1 80 80 PHE CE1 C 13 131.489 0.3 . 1 . . . . 198 PHE CE1 . 15845 1 629 . 1 1 80 80 PHE N N 15 121.852 0.3 . 1 . . . . 198 PHE N . 15845 1 630 . 1 1 81 81 THR HA H 1 4.540 0.020 . 1 . . . . 199 THR HA . 15845 1 631 . 1 1 81 81 THR HB H 1 4.741 0.020 . 1 . . . . 199 THR HB . 15845 1 632 . 1 1 81 81 THR CA C 13 60.017 0.3 . 1 . . . . 199 THR CA . 15845 1 633 . 1 1 81 81 THR CB C 13 71.610 0.3 . 1 . . . . 199 THR CB . 15845 1 634 . 1 1 81 81 THR CG2 C 13 21.319 0.3 . 1 . . . . 199 THR CG2 . 15845 1 635 . 1 1 81 81 THR N N 15 116.104 0.3 . 1 . . . . 199 THR N . 15845 1 636 . 1 1 82 82 GLU HA H 1 4.011 0.020 . 1 . . . . 200 GLU HA . 15845 1 637 . 1 1 82 82 GLU HB2 H 1 2.063 0.020 . 2 . . . . 200 GLU HB2 . 15845 1 638 . 1 1 82 82 GLU HB3 H 1 2.004 0.020 . 2 . . . . 200 GLU HB3 . 15845 1 639 . 1 1 82 82 GLU HG2 H 1 2.352 0.020 . 2 . . . . 200 GLU HG2 . 15845 1 640 . 1 1 82 82 GLU HG3 H 1 2.292 0.020 . 2 . . . . 200 GLU HG3 . 15845 1 641 . 1 1 82 82 GLU CA C 13 59.174 0.3 . 1 . . . . 200 GLU CA . 15845 1 642 . 1 1 82 82 GLU CB C 13 28.405 0.3 . 1 . . . . 200 GLU CB . 15845 1 643 . 1 1 82 82 GLU CG C 13 35.126 0.3 . 1 . . . . 200 GLU CG . 15845 1 644 . 1 1 82 82 GLU N N 15 119.843 0.3 . 1 . . . . 200 GLU N . 15845 1 645 . 1 1 83 83 THR HA H 1 3.732 0.020 . 1 . . . . 201 THR HA . 15845 1 646 . 1 1 83 83 THR HB H 1 3.680 0.020 . 1 . . . . 201 THR HB . 15845 1 647 . 1 1 83 83 THR CA C 13 66.289 0.3 . 1 . . . . 201 THR CA . 15845 1 648 . 1 1 83 83 THR CB C 13 68.146 0.3 . 1 . . . . 201 THR CB . 15845 1 649 . 1 1 83 83 THR CG2 C 13 21.045 0.3 . 1 . . . . 201 THR CG2 . 15845 1 650 . 1 1 83 83 THR N N 15 116.287 0.3 . 1 . . . . 201 THR N . 15845 1 651 . 1 1 84 84 ASP HA H 1 4.478 0.020 . 1 . . . . 202 ASP HA . 15845 1 652 . 1 1 84 84 ASP HB2 H 1 3.201 0.020 . 2 . . . . 202 ASP HB2 . 15845 1 653 . 1 1 84 84 ASP HB3 H 1 2.454 0.020 . 2 . . . . 202 ASP HB3 . 15845 1 654 . 1 1 84 84 ASP CA C 13 57.540 0.3 . 1 . . . . 202 ASP CA . 15845 1 655 . 1 1 84 84 ASP CB C 13 40.951 0.3 . 1 . . . . 202 ASP CB . 15845 1 656 . 1 1 84 84 ASP N N 15 120.050 0.3 . 1 . . . . 202 ASP N . 15845 1 657 . 1 1 85 85 VAL HA H 1 3.261 0.020 . 1 . . . . 203 VAL HA . 15845 1 658 . 1 1 85 85 VAL HB H 1 2.048 0.020 . 1 . . . . 203 VAL HB . 15845 1 659 . 1 1 85 85 VAL CA C 13 67.101 0.3 . 1 . . . . 203 VAL CA . 15845 1 660 . 1 1 85 85 VAL CB C 13 31.148 0.3 . 1 . . . . 203 VAL CB . 15845 1 661 . 1 1 85 85 VAL CG1 C 13 22.402 0.3 . 1 . . . . 203 VAL CG1 . 15845 1 662 . 1 1 85 85 VAL CG2 C 13 20.776 0.3 . 1 . . . . 203 VAL CG2 . 15845 1 663 . 1 1 85 85 VAL N N 15 119.696 0.3 . 1 . . . . 203 VAL N . 15845 1 664 . 1 1 86 86 LYS HA H 1 3.983 0.020 . 1 . . . . 204 LYS HA . 15845 1 665 . 1 1 86 86 LYS HG2 H 1 1.536 0.020 . 2 . . . . 204 LYS HG2 . 15845 1 666 . 1 1 86 86 LYS HG3 H 1 1.346 0.020 . 2 . . . . 204 LYS HG3 . 15845 1 667 . 1 1 86 86 LYS CA C 13 58.775 0.3 . 1 . . . . 204 LYS CA . 15845 1 668 . 1 1 86 86 LYS CB C 13 31.562 0.3 . 1 . . . . 204 LYS CB . 15845 1 669 . 1 1 86 86 LYS CD C 13 28.709 0.3 . 1 . . . . 204 LYS CD . 15845 1 670 . 1 1 86 86 LYS CE C 13 41.547 0.3 . 1 . . . . 204 LYS CE . 15845 1 671 . 1 1 86 86 LYS CG C 13 24.737 0.3 . 1 . . . . 204 LYS CG . 15845 1 672 . 1 1 86 86 LYS N N 15 119.206 0.3 . 1 . . . . 204 LYS N . 15845 1 673 . 1 1 87 87 MET HA H 1 4.058 0.020 . 1 . . . . 205 MET HA . 15845 1 674 . 1 1 87 87 MET HB2 H 1 2.242 0.020 . 2 . . . . 205 MET HB2 . 15845 1 675 . 1 1 87 87 MET HB3 H 1 1.821 0.020 . 2 . . . . 205 MET HB3 . 15845 1 676 . 1 1 87 87 MET HG2 H 1 2.924 0.020 . 2 . . . . 205 MET HG2 . 15845 1 677 . 1 1 87 87 MET HG3 H 1 2.255 0.020 . 2 . . . . 205 MET HG3 . 15845 1 678 . 1 1 87 87 MET CA C 13 59.170 0.3 . 1 . . . . 205 MET CA . 15845 1 679 . 1 1 87 87 MET CB C 13 32.293 0.3 . 1 . . . . 205 MET CB . 15845 1 680 . 1 1 87 87 MET CE C 13 17.749 0.3 . 1 . . . . 205 MET CE . 15845 1 681 . 1 1 87 87 MET CG C 13 33.438 0.3 . 1 . . . . 205 MET CG . 15845 1 682 . 1 1 87 87 MET N N 15 118.580 0.3 . 1 . . . . 205 MET N . 15845 1 683 . 1 1 88 88 MET HA H 1 3.457 0.020 . 1 . . . . 206 MET HA . 15845 1 684 . 1 1 88 88 MET HB2 H 1 1.844 0.020 . 2 . . . . 206 MET HB2 . 15845 1 685 . 1 1 88 88 MET HB3 H 1 1.665 0.020 . 2 . . . . 206 MET HB3 . 15845 1 686 . 1 1 88 88 MET HG2 H 1 1.921 0.020 . 2 . . . . 206 MET HG2 . 15845 1 687 . 1 1 88 88 MET HG3 H 1 1.726 0.020 . 2 . . . . 206 MET HG3 . 15845 1 688 . 1 1 88 88 MET CA C 13 59.060 0.3 . 1 . . . . 206 MET CA . 15845 1 689 . 1 1 88 88 MET CB C 13 32.817 0.3 . 1 . . . . 206 MET CB . 15845 1 690 . 1 1 88 88 MET CE C 13 15.792 0.3 . 1 . . . . 206 MET CE . 15845 1 691 . 1 1 88 88 MET CG C 13 31.941 0.3 . 1 . . . . 206 MET CG . 15845 1 692 . 1 1 88 88 MET N N 15 118.235 0.3 . 1 . . . . 206 MET N . 15845 1 693 . 1 1 89 89 GLU HA H 1 3.590 0.020 . 1 . . . . 207 GLU HA . 15845 1 694 . 1 1 89 89 GLU HB2 H 1 2.126 0.020 . 2 . . . . 207 GLU HB2 . 15845 1 695 . 1 1 89 89 GLU HB3 H 1 1.994 0.020 . 2 . . . . 207 GLU HB3 . 15845 1 696 . 1 1 89 89 GLU HG2 H 1 2.471 0.020 . 2 . . . . 207 GLU HG2 . 15845 1 697 . 1 1 89 89 GLU HG3 H 1 2.127 0.020 . 2 . . . . 207 GLU HG3 . 15845 1 698 . 1 1 89 89 GLU CA C 13 59.959 0.3 . 1 . . . . 207 GLU CA . 15845 1 699 . 1 1 89 89 GLU CB C 13 27.661 0.3 . 1 . . . . 207 GLU CB . 15845 1 700 . 1 1 89 89 GLU CG C 13 34.693 0.3 . 1 . . . . 207 GLU CG . 15845 1 701 . 1 1 89 89 GLU N N 15 118.205 0.3 . 1 . . . . 207 GLU N . 15845 1 702 . 1 1 90 90 ARG HA H 1 4.077 0.020 . 1 . . . . 208 ARG HA . 15845 1 703 . 1 1 90 90 ARG HB2 H 1 1.823 0.020 . 2 . . . . 208 ARG HB2 . 15845 1 704 . 1 1 90 90 ARG HB3 H 1 1.991 0.020 . 2 . . . . 208 ARG HB3 . 15845 1 705 . 1 1 90 90 ARG HD2 H 1 3.122 0.020 . 2 . . . . 208 ARG HD2 . 15845 1 706 . 1 1 90 90 ARG HD3 H 1 3.043 0.020 . 2 . . . . 208 ARG HD3 . 15845 1 707 . 1 1 90 90 ARG HE H 1 7.200 0.020 . 1 . . . . 208 ARG HE . 15845 1 708 . 1 1 90 90 ARG HG2 H 1 1.702 0.020 . 2 . . . . 208 ARG HG2 . 15845 1 709 . 1 1 90 90 ARG HG3 H 1 1.649 0.020 . 2 . . . . 208 ARG HG3 . 15845 1 710 . 1 1 90 90 ARG CA C 13 57.799 0.3 . 1 . . . . 208 ARG CA . 15845 1 711 . 1 1 90 90 ARG CB C 13 29.385 0.3 . 1 . . . . 208 ARG CB . 15845 1 712 . 1 1 90 90 ARG CD C 13 41.987 0.3 . 1 . . . . 208 ARG CD . 15845 1 713 . 1 1 90 90 ARG CG C 13 26.339 0.3 . 1 . . . . 208 ARG CG . 15845 1 714 . 1 1 90 90 ARG N N 15 116.926 0.3 . 1 . . . . 208 ARG N . 15845 1 715 . 1 1 90 90 ARG NE N 15 83.597 0.3 . 1 . . . . 208 ARG NE . 15845 1 716 . 1 1 91 91 VAL HA H 1 3.636 0.020 . 1 . . . . 209 VAL HA . 15845 1 717 . 1 1 91 91 VAL HB H 1 2.211 0.020 . 1 . . . . 209 VAL HB . 15845 1 718 . 1 1 91 91 VAL CA C 13 65.463 0.3 . 1 . . . . 209 VAL CA . 15845 1 719 . 1 1 91 91 VAL CB C 13 31.759 0.3 . 1 . . . . 209 VAL CB . 15845 1 720 . 1 1 91 91 VAL CG1 C 13 23.718 0.3 . 1 . . . . 209 VAL CG1 . 15845 1 721 . 1 1 91 91 VAL CG2 C 13 20.666 0.3 . 1 . . . . 209 VAL CG2 . 15845 1 722 . 1 1 91 91 VAL N N 15 119.228 0.3 . 1 . . . . 209 VAL N . 15845 1 723 . 1 1 92 92 VAL HA H 1 3.540 0.020 . 1 . . . . 210 VAL HA . 15845 1 724 . 1 1 92 92 VAL HB H 1 2.160 0.020 . 1 . . . . 210 VAL HB . 15845 1 725 . 1 1 92 92 VAL CA C 13 65.916 0.3 . 1 . . . . 210 VAL CA . 15845 1 726 . 1 1 92 92 VAL CB C 13 30.786 0.3 . 1 . . . . 210 VAL CB . 15845 1 727 . 1 1 92 92 VAL CG1 C 13 24.209 0.3 . 1 . . . . 210 VAL CG1 . 15845 1 728 . 1 1 92 92 VAL CG2 C 13 23.742 0.3 . 1 . . . . 210 VAL CG2 . 15845 1 729 . 1 1 92 92 VAL N N 15 120.476 0.3 . 1 . . . . 210 VAL N . 15845 1 730 . 1 1 93 93 GLU HA H 1 3.499 0.020 . 1 . . . . 211 GLU HA . 15845 1 731 . 1 1 93 93 GLU HB2 H 1 2.135 0.020 . 2 . . . . 211 GLU HB2 . 15845 1 732 . 1 1 93 93 GLU HB3 H 1 2.048 0.020 . 2 . . . . 211 GLU HB3 . 15845 1 733 . 1 1 93 93 GLU CA C 13 60.495 0.3 . 1 . . . . 211 GLU CA . 15845 1 734 . 1 1 93 93 GLU CB C 13 28.078 0.3 . 1 . . . . 211 GLU CB . 15845 1 735 . 1 1 93 93 GLU CG C 13 34.971 0.3 . 1 . . . . 211 GLU CG . 15845 1 736 . 1 1 93 93 GLU N N 15 120.364 0.3 . 1 . . . . 211 GLU N . 15845 1 737 . 1 1 94 94 GLN HA H 1 3.897 0.020 . 1 . . . . 212 GLN HA . 15845 1 738 . 1 1 94 94 GLN HB2 H 1 2.053 0.020 . 2 . . . . 212 GLN HB2 . 15845 1 739 . 1 1 94 94 GLN HB3 H 1 2.028 0.020 . 2 . . . . 212 GLN HB3 . 15845 1 740 . 1 1 94 94 GLN HE21 H 1 7.320 0.020 . 1 . . . . 212 GLN HE21 . 15845 1 741 . 1 1 94 94 GLN HE22 H 1 6.689 0.020 . 1 . . . . 212 GLN HE22 . 15845 1 742 . 1 1 94 94 GLN HG2 H 1 2.372 0.020 . 2 . . . . 212 GLN HG2 . 15845 1 743 . 1 1 94 94 GLN HG3 H 1 2.308 0.020 . 2 . . . . 212 GLN HG3 . 15845 1 744 . 1 1 94 94 GLN CA C 13 58.637 0.3 . 1 . . . . 212 GLN CA . 15845 1 745 . 1 1 94 94 GLN CB C 13 27.402 0.3 . 1 . . . . 212 GLN CB . 15845 1 746 . 1 1 94 94 GLN CG C 13 33.369 0.3 . 1 . . . . 212 GLN CG . 15845 1 747 . 1 1 94 94 GLN N N 15 115.516 0.3 . 1 . . . . 212 GLN N . 15845 1 748 . 1 1 94 94 GLN NE2 N 15 111.604 0.3 . 1 . . . . 212 GLN NE2 . 15845 1 749 . 1 1 95 95 MET HA H 1 4.040 0.020 . 1 . . . . 213 MET HA . 15845 1 750 . 1 1 95 95 MET HB2 H 1 2.125 0.020 . 2 . . . . 213 MET HB2 . 15845 1 751 . 1 1 95 95 MET HB3 H 1 1.969 0.020 . 2 . . . . 213 MET HB3 . 15845 1 752 . 1 1 95 95 MET HG2 H 1 2.755 0.020 . 2 . . . . 213 MET HG2 . 15845 1 753 . 1 1 95 95 MET HG3 H 1 2.381 0.020 . 2 . . . . 213 MET HG3 . 15845 1 754 . 1 1 95 95 MET CA C 13 59.350 0.3 . 1 . . . . 213 MET CA . 15845 1 755 . 1 1 95 95 MET CB C 13 33.852 0.3 . 1 . . . . 213 MET CB . 15845 1 756 . 1 1 95 95 MET CE C 13 16.507 0.3 . 1 . . . . 213 MET CE . 15845 1 757 . 1 1 95 95 MET CG C 13 32.075 0.3 . 1 . . . . 213 MET CG . 15845 1 758 . 1 1 95 95 MET N N 15 119.344 0.3 . 1 . . . . 213 MET N . 15845 1 759 . 1 1 96 96 CYS HA H 1 4.312 0.020 . 1 . . . . 214 CYS HA . 15845 1 760 . 1 1 96 96 CYS HB2 H 1 3.450 0.020 . 2 . . . . 214 CYS HB2 . 15845 1 761 . 1 1 96 96 CYS HB3 H 1 2.757 0.020 . 2 . . . . 214 CYS HB3 . 15845 1 762 . 1 1 96 96 CYS CA C 13 59.439 0.3 . 1 . . . . 214 CYS CA . 15845 1 763 . 1 1 96 96 CYS CB C 13 41.386 0.3 . 1 . . . . 214 CYS CB . 15845 1 764 . 1 1 96 96 CYS N N 15 119.131 0.3 . 1 . . . . 214 CYS N . 15845 1 765 . 1 1 97 97 VAL HA H 1 3.376 0.020 . 1 . . . . 215 VAL HA . 15845 1 766 . 1 1 97 97 VAL HB H 1 2.202 0.020 . 1 . . . . 215 VAL HB . 15845 1 767 . 1 1 97 97 VAL CA C 13 67.105 0.3 . 1 . . . . 215 VAL CA . 15845 1 768 . 1 1 97 97 VAL CB C 13 30.975 0.3 . 1 . . . . 215 VAL CB . 15845 1 769 . 1 1 97 97 VAL CG1 C 13 23.405 0.3 . 1 . . . . 215 VAL CG1 . 15845 1 770 . 1 1 97 97 VAL CG2 C 13 20.848 0.3 . 1 . . . . 215 VAL CG2 . 15845 1 771 . 1 1 97 97 VAL N N 15 123.234 0.3 . 1 . . . . 215 VAL N . 15845 1 772 . 1 1 98 98 THR HA H 1 3.807 0.020 . 1 . . . . 216 THR HA . 15845 1 773 . 1 1 98 98 THR HB H 1 4.212 0.020 . 1 . . . . 216 THR HB . 15845 1 774 . 1 1 98 98 THR CA C 13 66.463 0.3 . 1 . . . . 216 THR CA . 15845 1 775 . 1 1 98 98 THR CB C 13 67.749 0.3 . 1 . . . . 216 THR CB . 15845 1 776 . 1 1 98 98 THR CG2 C 13 21.885 0.3 . 1 . . . . 216 THR CG2 . 15845 1 777 . 1 1 98 98 THR N N 15 117.962 0.3 . 1 . . . . 216 THR N . 15845 1 778 . 1 1 99 99 GLN HA H 1 3.552 0.020 . 1 . . . . 217 GLN HA . 15845 1 779 . 1 1 99 99 GLN HB2 H 1 2.222 0.020 . 2 . . . . 217 GLN HB2 . 15845 1 780 . 1 1 99 99 GLN HB3 H 1 1.975 0.020 . 2 . . . . 217 GLN HB3 . 15845 1 781 . 1 1 99 99 GLN HE21 H 1 7.087 0.020 . 1 . . . . 217 GLN HE21 . 15845 1 782 . 1 1 99 99 GLN HE22 H 1 6.651 0.020 . 1 . . . . 217 GLN HE22 . 15845 1 783 . 1 1 99 99 GLN HG2 H 1 1.634 0.020 . 2 . . . . 217 GLN HG2 . 15845 1 784 . 1 1 99 99 GLN HG3 H 1 1.534 0.020 . 2 . . . . 217 GLN HG3 . 15845 1 785 . 1 1 99 99 GLN CA C 13 58.068 0.3 . 1 . . . . 217 GLN CA . 15845 1 786 . 1 1 99 99 GLN CB C 13 27.732 0.3 . 1 . . . . 217 GLN CB . 15845 1 787 . 1 1 99 99 GLN CG C 13 31.888 0.3 . 1 . . . . 217 GLN CG . 15845 1 788 . 1 1 99 99 GLN N N 15 122.394 0.3 . 1 . . . . 217 GLN N . 15845 1 789 . 1 1 99 99 GLN NE2 N 15 114.185 0.3 . 1 . . . . 217 GLN NE2 . 15845 1 790 . 1 1 100 100 TYR HA H 1 2.821 0.020 . 1 . . . . 218 TYR HA . 15845 1 791 . 1 1 100 100 TYR HB2 H 1 2.922 0.020 . 2 . . . . 218 TYR HB2 . 15845 1 792 . 1 1 100 100 TYR HB3 H 1 2.638 0.020 . 2 . . . . 218 TYR HB3 . 15845 1 793 . 1 1 100 100 TYR CA C 13 61.553 0.3 . 1 . . . . 218 TYR CA . 15845 1 794 . 1 1 100 100 TYR CB C 13 36.764 0.3 . 1 . . . . 218 TYR CB . 15845 1 795 . 1 1 100 100 TYR CD1 C 13 132.614 0.3 . 1 . . . . 218 TYR CD1 . 15845 1 796 . 1 1 100 100 TYR CE1 C 13 117.729 0.3 . 1 . . . . 218 TYR CE1 . 15845 1 797 . 1 1 100 100 TYR N N 15 119.808 0.3 . 1 . . . . 218 TYR N . 15845 1 798 . 1 1 101 101 GLN HA H 1 3.618 0.020 . 1 . . . . 219 GLN HA . 15845 1 799 . 1 1 101 101 GLN HB2 H 1 2.218 0.020 . 2 . . . . 219 GLN HB2 . 15845 1 800 . 1 1 101 101 GLN HB3 H 1 1.970 0.020 . 2 . . . . 219 GLN HB3 . 15845 1 801 . 1 1 101 101 GLN HE21 H 1 7.333 0.020 . 1 . . . . 219 GLN HE21 . 15845 1 802 . 1 1 101 101 GLN HE22 H 1 6.710 0.020 . 1 . . . . 219 GLN HE22 . 15845 1 803 . 1 1 101 101 GLN HG2 H 1 2.608 0.020 . 2 . . . . 219 GLN HG2 . 15845 1 804 . 1 1 101 101 GLN HG3 H 1 2.371 0.020 . 2 . . . . 219 GLN HG3 . 15845 1 805 . 1 1 101 101 GLN CA C 13 58.435 0.3 . 1 . . . . 219 GLN CA . 15845 1 806 . 1 1 101 101 GLN CB C 13 27.097 0.3 . 1 . . . . 219 GLN CB . 15845 1 807 . 1 1 101 101 GLN CG C 13 33.321 0.3 . 1 . . . . 219 GLN CG . 15845 1 808 . 1 1 101 101 GLN N N 15 119.523 0.3 . 1 . . . . 219 GLN N . 15845 1 809 . 1 1 101 101 GLN NE2 N 15 110.737 0.3 . 1 . . . . 219 GLN NE2 . 15845 1 810 . 1 1 102 102 LYS HA H 1 3.890 0.020 . 1 . . . . 220 LYS HA . 15845 1 811 . 1 1 102 102 LYS HG2 H 1 1.290 0.020 . 2 . . . . 220 LYS HG2 . 15845 1 812 . 1 1 102 102 LYS HG3 H 1 1.445 0.020 . 2 . . . . 220 LYS HG3 . 15845 1 813 . 1 1 102 102 LYS CA C 13 58.940 0.3 . 1 . . . . 220 LYS CA . 15845 1 814 . 1 1 102 102 LYS CB C 13 31.946 0.3 . 1 . . . . 220 LYS CB . 15845 1 815 . 1 1 102 102 LYS CD C 13 29.057 0.3 . 1 . . . . 220 LYS CD . 15845 1 816 . 1 1 102 102 LYS CG C 13 24.482 0.3 . 1 . . . . 220 LYS CG . 15845 1 817 . 1 1 102 102 LYS N N 15 119.114 0.3 . 1 . . . . 220 LYS N . 15845 1 818 . 1 1 103 103 GLU HA H 1 3.979 0.020 . 1 . . . . 221 GLU HA . 15845 1 819 . 1 1 103 103 GLU HB2 H 1 2.086 0.020 . 2 . . . . 221 GLU HB2 . 15845 1 820 . 1 1 103 103 GLU HB3 H 1 1.510 0.020 . 2 . . . . 221 GLU HB3 . 15845 1 821 . 1 1 103 103 GLU HG2 H 1 2.055 0.020 . 2 . . . . 221 GLU HG2 . 15845 1 822 . 1 1 103 103 GLU HG3 H 1 2.338 0.020 . 2 . . . . 221 GLU HG3 . 15845 1 823 . 1 1 103 103 GLU CA C 13 57.055 0.3 . 1 . . . . 221 GLU CA . 15845 1 824 . 1 1 103 103 GLU CB C 13 29.031 0.3 . 1 . . . . 221 GLU CB . 15845 1 825 . 1 1 103 103 GLU CG C 13 35.575 0.3 . 1 . . . . 221 GLU CG . 15845 1 826 . 1 1 103 103 GLU N N 15 117.525 0.3 . 1 . . . . 221 GLU N . 15845 1 827 . 1 1 104 104 SER HA H 1 3.875 0.020 . 1 . . . . 222 SER HA . 15845 1 828 . 1 1 104 104 SER HB2 H 1 3.476 0.020 . 2 . . . . 222 SER HB2 . 15845 1 829 . 1 1 104 104 SER HB3 H 1 3.246 0.020 . 2 . . . . 222 SER HB3 . 15845 1 830 . 1 1 104 104 SER CA C 13 60.385 0.3 . 1 . . . . 222 SER CA . 15845 1 831 . 1 1 104 104 SER CB C 13 62.055 0.3 . 1 . . . . 222 SER CB . 15845 1 832 . 1 1 104 104 SER N N 15 114.925 0.3 . 1 . . . . 222 SER N . 15845 1 833 . 1 1 105 105 GLN HA H 1 4.025 0.020 . 1 . . . . 223 GLN HA . 15845 1 834 . 1 1 105 105 GLN HE21 H 1 7.491 0.020 . 1 . . . . 223 GLN HE21 . 15845 1 835 . 1 1 105 105 GLN HE22 H 1 6.720 0.020 . 1 . . . . 223 GLN HE22 . 15845 1 836 . 1 1 105 105 GLN HG2 H 1 2.370 0.020 . 2 . . . . 223 GLN HG2 . 15845 1 837 . 1 1 105 105 GLN HG3 H 1 2.298 0.020 . 2 . . . . 223 GLN HG3 . 15845 1 838 . 1 1 105 105 GLN CA C 13 57.216 0.3 . 1 . . . . 223 GLN CA . 15845 1 839 . 1 1 105 105 GLN CB C 13 27.936 0.3 . 1 . . . . 223 GLN CB . 15845 1 840 . 1 1 105 105 GLN CG C 13 33.307 0.3 . 1 . . . . 223 GLN CG . 15845 1 841 . 1 1 105 105 GLN N N 15 120.649 0.3 . 1 . . . . 223 GLN N . 15845 1 842 . 1 1 105 105 GLN NE2 N 15 112.429 0.3 . 1 . . . . 223 GLN NE2 . 15845 1 843 . 1 1 106 106 ALA HA H 1 4.105 0.020 . 1 . . . . 224 ALA HA . 15845 1 844 . 1 1 106 106 ALA CA C 13 53.262 0.3 . 1 . . . . 224 ALA CA . 15845 1 845 . 1 1 106 106 ALA CB C 13 18.127 0.3 . 1 . . . . 224 ALA CB . 15845 1 846 . 1 1 106 106 ALA N N 15 120.900 0.3 . 1 . . . . 224 ALA N . 15845 1 847 . 1 1 107 107 TYR HA H 1 4.206 0.020 . 1 . . . . 225 TYR HA . 15845 1 848 . 1 1 107 107 TYR HB2 H 1 2.871 0.020 . 2 . . . . 225 TYR HB2 . 15845 1 849 . 1 1 107 107 TYR HB3 H 1 2.759 0.020 . 2 . . . . 225 TYR HB3 . 15845 1 850 . 1 1 107 107 TYR CA C 13 58.970 0.3 . 1 . . . . 225 TYR CA . 15845 1 851 . 1 1 107 107 TYR CB C 13 38.261 0.3 . 1 . . . . 225 TYR CB . 15845 1 852 . 1 1 107 107 TYR CD1 C 13 133.182 0.3 . 1 . . . . 225 TYR CD1 . 15845 1 853 . 1 1 107 107 TYR CE1 C 13 118.016 0.3 . 1 . . . . 225 TYR CE1 . 15845 1 854 . 1 1 107 107 TYR N N 15 118.648 0.3 . 1 . . . . 225 TYR N . 15845 1 855 . 1 1 108 108 TYR HA H 1 4.236 0.020 . 1 . . . . 226 TYR HA . 15845 1 856 . 1 1 108 108 TYR HB2 H 1 3.022 0.020 . 2 . . . . 226 TYR HB2 . 15845 1 857 . 1 1 108 108 TYR HB3 H 1 2.874 0.020 . 2 . . . . 226 TYR HB3 . 15845 1 858 . 1 1 108 108 TYR CA C 13 58.792 0.3 . 1 . . . . 226 TYR CA . 15845 1 859 . 1 1 108 108 TYR CB C 13 37.858 0.3 . 1 . . . . 226 TYR CB . 15845 1 860 . 1 1 108 108 TYR CD1 C 13 133.472 0.3 . 1 . . . . 226 TYR CD1 . 15845 1 861 . 1 1 108 108 TYR CE1 C 13 118.109 0.3 . 1 . . . . 226 TYR CE1 . 15845 1 862 . 1 1 108 108 TYR N N 15 119.704 0.3 . 1 . . . . 226 TYR N . 15845 1 863 . 1 1 109 109 ASP HA H 1 4.436 0.020 . 1 . . . . 227 ASP HA . 15845 1 864 . 1 1 109 109 ASP CA C 13 54.123 0.3 . 1 . . . . 227 ASP CA . 15845 1 865 . 1 1 109 109 ASP CB C 13 39.835 0.3 . 1 . . . . 227 ASP CB . 15845 1 866 . 1 1 109 109 ASP N N 15 120.760 0.3 . 1 . . . . 227 ASP N . 15845 1 867 . 1 1 110 110 GLY CA C 13 45.136 0.3 . 1 . . . . 228 GLY CA . 15845 1 868 . 1 1 110 110 GLY N N 15 107.966 0.3 . 1 . . . . 228 GLY N . 15845 1 869 . 1 1 111 111 ARG HA H 1 4.230 0.020 . 1 . . . . 229 ARG HA . 15845 1 870 . 1 1 111 111 ARG HB2 H 1 1.643 0.020 . 2 . . . . 229 ARG HB2 . 15845 1 871 . 1 1 111 111 ARG HB3 H 1 1.759 0.020 . 2 . . . . 229 ARG HB3 . 15845 1 872 . 1 1 111 111 ARG HE H 1 7.140 0.020 . 1 . . . . 229 ARG HE . 15845 1 873 . 1 1 111 111 ARG CA C 13 55.546 0.3 . 1 . . . . 229 ARG CA . 15845 1 874 . 1 1 111 111 ARG CB C 13 30.046 0.3 . 1 . . . . 229 ARG CB . 15845 1 875 . 1 1 111 111 ARG CD C 13 42.800 0.3 . 1 . . . . 229 ARG CD . 15845 1 876 . 1 1 111 111 ARG CG C 13 26.398 0.3 . 1 . . . . 229 ARG CG . 15845 1 877 . 1 1 111 111 ARG N N 15 119.849 0.3 . 1 . . . . 229 ARG N . 15845 1 878 . 1 1 111 111 ARG NE N 15 84.937 0.3 . 1 . . . . 229 ARG NE . 15845 1 879 . 1 1 112 112 ARG HA H 1 4.307 0.020 . 1 . . . . 230 ARG HA . 15845 1 880 . 1 1 112 112 ARG HB2 H 1 1.687 0.020 . 2 . . . . 230 ARG HB2 . 15845 1 881 . 1 1 112 112 ARG HB3 H 1 1.799 0.020 . 2 . . . . 230 ARG HB3 . 15845 1 882 . 1 1 112 112 ARG HE H 1 7.098 0.020 . 1 . . . . 230 ARG HE . 15845 1 883 . 1 1 112 112 ARG CA C 13 55.399 0.3 . 1 . . . . 230 ARG CA . 15845 1 884 . 1 1 112 112 ARG CB C 13 30.459 0.3 . 1 . . . . 230 ARG CB . 15845 1 885 . 1 1 112 112 ARG CD C 13 42.857 0.3 . 1 . . . . 230 ARG CD . 15845 1 886 . 1 1 112 112 ARG CG C 13 26.531 0.3 . 1 . . . . 230 ARG CG . 15845 1 887 . 1 1 112 112 ARG N N 15 121.841 0.3 . 1 . . . . 230 ARG N . 15845 1 888 . 1 1 112 112 ARG NE N 15 84.924 0.3 . 1 . . . . 230 ARG NE . 15845 1 889 . 1 1 113 113 SER HA H 1 4.419 0.020 . 1 . . . . 231 SER HA . 15845 1 890 . 1 1 113 113 SER HB2 H 1 3.823 0.020 . 2 . . . . 231 SER HB2 . 15845 1 891 . 1 1 113 113 SER HB3 H 1 3.789 0.020 . 2 . . . . 231 SER HB3 . 15845 1 892 . 1 1 113 113 SER CA C 13 57.715 0.3 . 1 . . . . 231 SER CA . 15845 1 893 . 1 1 113 113 SER CB C 13 63.350 0.3 . 1 . . . . 231 SER CB . 15845 1 894 . 1 1 113 113 SER N N 15 117.460 0.3 . 1 . . . . 231 SER N . 15845 1 895 . 1 1 114 114 SER HA H 1 4.199 0.020 . 1 . . . . 232 SER HA . 15845 1 896 . 1 1 114 114 SER CA C 13 59.252 0.3 . 1 . . . . 232 SER CA . 15845 1 897 . 1 1 114 114 SER CB C 13 64.124 0.3 . 1 . . . . 232 SER CB . 15845 1 898 . 1 1 114 114 SER N N 15 122.659 0.3 . 1 . . . . 232 SER N . 15845 1 stop_ save_