data_16185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16185 _Entry.Title ; Mouse Prion Protein (121-231) with Mutation V166A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-24 _Entry.Accession_date 2009-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Barbara Christen . . . 16185 2 Simone Hornemann . . . 16185 3 Fred Damberger . F. . 16185 4 Kurt Wuthrich . . . 16185 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' . 16185 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'long-range effect' . 16185 'Mouse Prion Protein' . 16185 'Mutation V166A' . 16185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 16185 '15N chemical shifts' 135 16185 '1H chemical shifts' 422 16185 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 . . 2010-05-27 2009-02-24 update BMRB 'edit entity/assembly name' 16185 1 . . 2009-05-20 2009-02-24 original author 'original release' 16185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFO 'BMRB Entry Tracking System' 16185 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16185 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19393664 _Citation.Full_citation . _Citation.Title 'Prion Protein NMR Structure from Tammar Wallaby (Macropus eugenii) Shows that the beta2-alpha2 Loop Is Modulated by Long-Range Sequence Effects' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2009 _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 . . . 16185 1 2 Simone Hornemann . . . 16185 1 3 Fred Damberger . F. . 16185 1 4 Kurt Wuthrich . . . 16185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16185 _Assembly.ID 1 _Assembly.Name 'Mouse Prion Protein (121-231)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 mpp_121-231 1 $entity A . yes native no no . . . 16185 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 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 16185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mpp_121-231 _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 NQVYYRPADQYSNQNNFVHD 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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13380.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15845 . Prion_Protein . . . . . 100.00 114 98.25 99.12 1.07e-77 . . . . 16185 1 2 no BMRB 16071 . mPrP90 . . . . . 99.12 144 98.23 99.12 2.03e-77 . . . . 16185 1 3 no BMRB 16075 . mPrP90_M129V . . . . . 99.12 141 97.35 99.12 8.50e-77 . . . . 16185 1 4 no BMRB 16076 . mPrP90_P102L . . . . . 99.12 141 98.23 99.12 1.23e-77 . . . . 16185 1 5 no BMRB 16077 . mPrP90_P105L . . . . . 99.12 141 98.23 99.12 1.23e-77 . . . . 16185 1 6 no BMRB 16078 . mPrP90_A117V . . . . . 99.12 142 98.23 99.12 2.17e-77 . . . . 16185 1 7 no BMRB 16079 . mPrP90_3AV . . . . . 99.12 142 98.23 99.12 3.67e-77 . . . . 16185 1 8 no BMRB 16080 . mPrP90_2II . . . . . 99.12 142 98.23 99.12 1.99e-77 . . . . 16185 1 9 no BMRB 16184 . mpp_121-231 . . . . . 100.00 114 97.37 97.37 1.56e-76 . . . . 16185 1 10 no BMRB 16722 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 98.23 98.23 9.24e-77 . . . . 16185 1 11 no BMRB 16723 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 97.35 97.35 5.66e-76 . . . . 16185 1 12 no BMRB 17081 . "Prion with Y169G mutation" . . . . . 100.00 114 98.25 98.25 5.83e-77 . . . . 16185 1 13 no BMRB 17082 . mPrP121-231_F175A . . . . . 100.00 114 98.25 98.25 3.20e-77 . . . . 16185 1 14 no BMRB 17084 . prion . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 16185 1 15 no BMRB 17174 . Mouse_prion . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 16185 1 16 no BMRB 17213 . entity . . . . . 100.00 114 98.25 98.25 1.76e-77 . . . . 16185 1 17 no BMRB 17758 . mPrP(121-232) . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 16185 1 18 no BMRB 17759 . mPrP(121-232) . . . . . 100.00 114 97.37 97.37 1.46e-75 . . . . 16185 1 19 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 89.47 103 99.02 99.02 2.98e-69 . . . . 16185 1 20 no PDB 1XYX . "Mouse Prion Protein Fragment 121-231" . . . . . 98.25 112 99.11 99.11 7.76e-77 . . . . 16185 1 21 no PDB 1Y15 . "Mouse Prion Protein With Mutation N174t" . . . . . 98.25 112 98.21 98.21 5.66e-76 . . . . 16185 1 22 no PDB 1Y16 . "Mouse Prion Protein With Mutations S170n And N174t" . . . . . 98.25 112 97.32 98.21 2.50e-75 . . . . 16185 1 23 no PDB 2K5O . "Mouse Prion Protein (121-231) With Mutation S170n" . . . . . 100.00 114 98.25 99.12 1.07e-77 . . . . 16185 1 24 no PDB 2KFM . "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" . . . . . 100.00 114 97.37 97.37 1.56e-76 . . . . 16185 1 25 no PDB 2KFO . "Mouse Prion Protein (121-231) With Mutation V166a" . . . . . 100.00 114 100.00 100.00 4.58e-79 . . . . 16185 1 26 no PDB 2KU5 . "Mouse Prion Protein (121-231) With Mutation D167s" . . . . . 99.12 113 98.23 98.23 9.24e-77 . . . . 16185 1 27 no PDB 2KU6 . "Mouse Prion Protein (121-231) With Mutations D167s And N173k" . . . . . 99.12 113 97.35 97.35 5.66e-76 . . . . 16185 1 28 no PDB 2L1D . "Mouse Prion Protein (121-231) Containing The Substitution Y169g" . . . . . 100.00 114 98.25 98.25 5.83e-77 . . . . 16185 1 29 no PDB 2L1E . "Mouse Prion Protein (121-231) Containing The Substitution F175a" . . . . . 100.00 114 98.25 98.25 3.20e-77 . . . . 16185 1 30 no PDB 2L1H . "Mouse Prion Protein Fragment 121-231 At 20 C" . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 16185 1 31 no PDB 2L39 . "Mouse Prion Protein Fragment 121-231 At 37 C" . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 16185 1 32 no PDB 2L40 . "Mouse Prion Protein (121-231) Containing The Substitution Y169a" . . . . . 100.00 114 98.25 98.25 1.76e-77 . . . . 16185 1 33 no PDB 4H88 . "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" . . . . . 97.37 111 98.20 98.20 1.71e-75 . . . . 16185 1 34 no PDB 4MA7 . "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" . . . . . 98.25 114 98.21 99.11 8.74e-77 . . . . 16185 1 35 no PDB 4MA8 . "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" . . . . . 98.25 114 98.21 99.11 8.74e-77 . . . . 16185 1 36 no DBJ BAA08790 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 97.37 99.12 1.35e-76 . . . . 16185 1 37 no DBJ BAE28320 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 99.12 1.11e-76 . . . . 16185 1 38 no DBJ BAE28693 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 98.25 3.01e-76 . . . . 16185 1 39 no DBJ BAE29994 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.37 98.25 3.99e-76 . . . . 16185 1 40 no DBJ BAE34221 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.25 99.12 5.96e-77 . . . . 16185 1 41 no EMBL CAJ18553 . "Prnp [Mus musculus]" . . . . . 100.00 254 98.25 99.12 6.03e-77 . . . . 16185 1 42 no GB AAA39996 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.37 99.12 2.79e-76 . . . . 16185 1 43 no GB AAA39997 . "prion protein [Mus musculus]" . . . . . 100.00 254 98.25 99.12 6.03e-77 . . . . 16185 1 44 no GB AAA39998 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.37 98.25 3.11e-76 . . . . 16185 1 45 no GB AAA41947 . "prion-related protein, partial [Rattus norvegicus]" . . . . . 100.00 226 97.37 99.12 3.82e-77 . . . . 16185 1 46 no GB AAB30728 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 97.37 99.12 1.35e-76 . . . . 16185 1 47 no REF NP_001265185 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.25 99.12 6.03e-77 . . . . 16185 1 48 no REF NP_035300 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.25 99.12 6.03e-77 . . . . 16185 1 49 no REF NP_036763 . "major prion protein precursor [Rattus norvegicus]" . . . . . 100.00 254 97.37 99.12 1.35e-76 . . . . 16185 1 50 no REF XP_006235124 . "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" . . . . . 100.00 254 97.37 99.12 1.35e-76 . . . . 16185 1 51 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 99.12 6.03e-77 . . . . 16185 1 52 no SP P13852 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 97.37 99.12 1.35e-76 . . . . 16185 1 53 no SP Q9Z0T3 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 97.37 99.12 2.06e-76 . . . . 16185 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 . 16185 1 2 . SER . 16185 1 3 . VAL . 16185 1 4 . VAL . 16185 1 5 . GLY . 16185 1 6 . GLY . 16185 1 7 . LEU . 16185 1 8 . GLY . 16185 1 9 . GLY . 16185 1 10 . TYR . 16185 1 11 . MET . 16185 1 12 . LEU . 16185 1 13 . GLY . 16185 1 14 . SER . 16185 1 15 . ALA . 16185 1 16 . MET . 16185 1 17 . SER . 16185 1 18 . ARG . 16185 1 19 . PRO . 16185 1 20 . MET . 16185 1 21 . ILE . 16185 1 22 . HIS . 16185 1 23 . PHE . 16185 1 24 . GLY . 16185 1 25 . ASN . 16185 1 26 . ASP . 16185 1 27 . TRP . 16185 1 28 . GLU . 16185 1 29 . ASP . 16185 1 30 . ARG . 16185 1 31 . TYR . 16185 1 32 . TYR . 16185 1 33 . ARG . 16185 1 34 . GLU . 16185 1 35 . ASN . 16185 1 36 . MET . 16185 1 37 . TYR . 16185 1 38 . ARG . 16185 1 39 . TYR . 16185 1 40 . PRO . 16185 1 41 . ASN . 16185 1 42 . GLN . 16185 1 43 . VAL . 16185 1 44 . TYR . 16185 1 45 . TYR . 16185 1 46 . ARG . 16185 1 47 . PRO . 16185 1 48 . ALA . 16185 1 49 . ASP . 16185 1 50 . GLN . 16185 1 51 . TYR . 16185 1 52 . SER . 16185 1 53 . ASN . 16185 1 54 . GLN . 16185 1 55 . ASN . 16185 1 56 . ASN . 16185 1 57 . PHE . 16185 1 58 . VAL . 16185 1 59 . HIS . 16185 1 60 . ASP . 16185 1 61 . CYS . 16185 1 62 . VAL . 16185 1 63 . ASN . 16185 1 64 . ILE . 16185 1 65 . THR . 16185 1 66 . ILE . 16185 1 67 . LYS . 16185 1 68 . GLN . 16185 1 69 . HIS . 16185 1 70 . THR . 16185 1 71 . VAL . 16185 1 72 . THR . 16185 1 73 . THR . 16185 1 74 . THR . 16185 1 75 . THR . 16185 1 76 . LYS . 16185 1 77 . GLY . 16185 1 78 . GLU . 16185 1 79 . ASN . 16185 1 80 . PHE . 16185 1 81 . THR . 16185 1 82 . GLU . 16185 1 83 . THR . 16185 1 84 . ASP . 16185 1 85 . VAL . 16185 1 86 . LYS . 16185 1 87 . MET . 16185 1 88 . MET . 16185 1 89 . GLU . 16185 1 90 . ARG . 16185 1 91 . VAL . 16185 1 92 . VAL . 16185 1 93 . GLU . 16185 1 94 . GLN . 16185 1 95 . MET . 16185 1 96 . CYS . 16185 1 97 . VAL . 16185 1 98 . THR . 16185 1 99 . GLN . 16185 1 100 . TYR . 16185 1 101 . GLN . 16185 1 102 . LYS . 16185 1 103 . GLU . 16185 1 104 . SER . 16185 1 105 . GLN . 16185 1 106 . ALA . 16185 1 107 . TYR . 16185 1 108 . TYR . 16185 1 109 . ASP . 16185 1 110 . GLY . 16185 1 111 . ARG . 16185 1 112 . ARG . 16185 1 113 . SER . 16185 1 114 . SER . 16185 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 16185 1 . SER 2 2 16185 1 . VAL 3 3 16185 1 . VAL 4 4 16185 1 . GLY 5 5 16185 1 . GLY 6 6 16185 1 . LEU 7 7 16185 1 . GLY 8 8 16185 1 . GLY 9 9 16185 1 . TYR 10 10 16185 1 . MET 11 11 16185 1 . LEU 12 12 16185 1 . GLY 13 13 16185 1 . SER 14 14 16185 1 . ALA 15 15 16185 1 . MET 16 16 16185 1 . SER 17 17 16185 1 . ARG 18 18 16185 1 . PRO 19 19 16185 1 . MET 20 20 16185 1 . ILE 21 21 16185 1 . HIS 22 22 16185 1 . PHE 23 23 16185 1 . GLY 24 24 16185 1 . ASN 25 25 16185 1 . ASP 26 26 16185 1 . TRP 27 27 16185 1 . GLU 28 28 16185 1 . ASP 29 29 16185 1 . ARG 30 30 16185 1 . TYR 31 31 16185 1 . TYR 32 32 16185 1 . ARG 33 33 16185 1 . GLU 34 34 16185 1 . ASN 35 35 16185 1 . MET 36 36 16185 1 . TYR 37 37 16185 1 . ARG 38 38 16185 1 . TYR 39 39 16185 1 . PRO 40 40 16185 1 . ASN 41 41 16185 1 . GLN 42 42 16185 1 . VAL 43 43 16185 1 . TYR 44 44 16185 1 . TYR 45 45 16185 1 . ARG 46 46 16185 1 . PRO 47 47 16185 1 . ALA 48 48 16185 1 . ASP 49 49 16185 1 . GLN 50 50 16185 1 . TYR 51 51 16185 1 . SER 52 52 16185 1 . ASN 53 53 16185 1 . GLN 54 54 16185 1 . ASN 55 55 16185 1 . ASN 56 56 16185 1 . PHE 57 57 16185 1 . VAL 58 58 16185 1 . HIS 59 59 16185 1 . ASP 60 60 16185 1 . CYS 61 61 16185 1 . VAL 62 62 16185 1 . ASN 63 63 16185 1 . ILE 64 64 16185 1 . THR 65 65 16185 1 . ILE 66 66 16185 1 . LYS 67 67 16185 1 . GLN 68 68 16185 1 . HIS 69 69 16185 1 . THR 70 70 16185 1 . VAL 71 71 16185 1 . THR 72 72 16185 1 . THR 73 73 16185 1 . THR 74 74 16185 1 . THR 75 75 16185 1 . LYS 76 76 16185 1 . GLY 77 77 16185 1 . GLU 78 78 16185 1 . ASN 79 79 16185 1 . PHE 80 80 16185 1 . THR 81 81 16185 1 . GLU 82 82 16185 1 . THR 83 83 16185 1 . ASP 84 84 16185 1 . VAL 85 85 16185 1 . LYS 86 86 16185 1 . MET 87 87 16185 1 . MET 88 88 16185 1 . GLU 89 89 16185 1 . ARG 90 90 16185 1 . VAL 91 91 16185 1 . VAL 92 92 16185 1 . GLU 93 93 16185 1 . GLN 94 94 16185 1 . MET 95 95 16185 1 . CYS 96 96 16185 1 . VAL 97 97 16185 1 . THR 98 98 16185 1 . GLN 99 99 16185 1 . TYR 100 100 16185 1 . GLN 101 101 16185 1 . LYS 102 102 16185 1 . GLU 103 103 16185 1 . SER 104 104 16185 1 . GLN 105 105 16185 1 . ALA 106 106 16185 1 . TYR 107 107 16185 1 . TYR 108 108 16185 1 . ASP 109 109 16185 1 . GLY 110 110 16185 1 . ARG 111 111 16185 1 . ARG 112 112 16185 1 . SER 113 113 16185 1 . SER 114 114 16185 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 16185 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16185 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 16185 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 16185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample additionally contains a protease inhibitor cocktail' _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.4 . . mM . . . . 16185 1 2 'sodium acetate' '[U-100% 2H]' . . . . . . 10 . . mM . . . . 16185 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16185 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 16185 _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 16185 1 pH 4.5 . pH 16185 1 pressure 1 . atm 16185 1 temperature 293.1 . K 16185 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16185 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16185 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16185 1 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 16185 _Software.ID 2 _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' . . 16185 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16185 2 'peak picking' 16185 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 16185 _Software.ID 3 _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, Mumenthaler and Wuthrich' . . 16185 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16185 3 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 16185 _Software.ID 4 _Software.Name OPALP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16185 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16185 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16185 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16185 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16185 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16185 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16185 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16185 6 processing 16185 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 16185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16185 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16185 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16185 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16185 1 2 spectrometer_2 Bruker Avance . 750 . . . 16185 1 3 spectrometer_3 Bruker Avance . 900 . . . 16185 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 16185 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16185 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16185 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16185 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16185 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 16185 _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 . . . . . . . . . 16185 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16185 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16185 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 16185 _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' . . . 16185 1 2 '3D 1H-13C NOESY' . . . 16185 1 3 '3D HNCA' . . . 16185 1 4 '3D CBCA(CO)NH' . . . 16185 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 1 1 GLY CA C 13 43.291 0.3 . 1 . . . . 119 GLY CA . 16185 1 2 . 1 1 2 2 SER HA H 1 4.611 0.020 . 1 . . . . 120 SER HA . 16185 1 3 . 1 1 2 2 SER CA C 13 58.022 0.3 . 1 . . . . 120 SER CA . 16185 1 4 . 1 1 2 2 SER CB C 13 64.072 0.3 . 1 . . . . 120 SER CB . 16185 1 5 . 1 1 2 2 SER N N 15 115.780 0.3 . 1 . . . . 120 SER N . 16185 1 6 . 1 1 3 3 VAL HA H 1 4.204 0.020 . 1 . . . . 121 VAL HA . 16185 1 7 . 1 1 3 3 VAL HB H 1 2.072 0.020 . 1 . . . . 121 VAL HB . 16185 1 8 . 1 1 3 3 VAL CA C 13 62.278 0.3 . 1 . . . . 121 VAL CA . 16185 1 9 . 1 1 3 3 VAL CB C 13 32.728 0.3 . 1 . . . . 121 VAL CB . 16185 1 10 . 1 1 3 3 VAL CG1 C 13 20.503 0.3 . 1 . . . . 121 VAL CG1 . 16185 1 11 . 1 1 3 3 VAL CG2 C 13 21.131 0.3 . 1 . . . . 121 VAL CG2 . 16185 1 12 . 1 1 3 3 VAL N N 15 122.306 0.3 . 1 . . . . 121 VAL N . 16185 1 13 . 1 1 4 4 VAL HA H 1 4.115 0.020 . 1 . . . . 122 VAL HA . 16185 1 14 . 1 1 4 4 VAL HB H 1 2.047 0.020 . 1 . . . . 122 VAL HB . 16185 1 15 . 1 1 4 4 VAL CA C 13 62.478 0.3 . 1 . . . . 122 VAL CA . 16185 1 16 . 1 1 4 4 VAL CB C 13 32.579 0.3 . 1 . . . . 122 VAL CB . 16185 1 17 . 1 1 4 4 VAL CG1 C 13 20.794 0.3 . 1 . . . . 122 VAL CG1 . 16185 1 18 . 1 1 4 4 VAL CG2 C 13 21.101 0.3 . 1 . . . . 122 VAL CG2 . 16185 1 19 . 1 1 4 4 VAL N N 15 125.136 0.3 . 1 . . . . 122 VAL N . 16185 1 20 . 1 1 5 5 GLY CA C 13 45.282 0.3 . 1 . . . . 123 GLY CA . 16185 1 21 . 1 1 5 5 GLY N N 15 113.524 0.3 . 1 . . . . 123 GLY N . 16185 1 22 . 1 1 6 6 GLY CA C 13 45.293 0.3 . 1 . . . . 124 GLY CA . 16185 1 23 . 1 1 6 6 GLY N N 15 108.634 0.3 . 1 . . . . 124 GLY N . 16185 1 24 . 1 1 7 7 LEU HA H 1 4.390 0.020 . 1 . . . . 125 LEU HA . 16185 1 25 . 1 1 7 7 LEU HB2 H 1 1.568 0.020 . 2 . . . . 125 LEU HB2 . 16185 1 26 . 1 1 7 7 LEU HB3 H 1 1.642 0.020 . 2 . . . . 125 LEU HB3 . 16185 1 27 . 1 1 7 7 LEU HG H 1 1.536 0.020 . 1 . . . . 125 LEU HG . 16185 1 28 . 1 1 7 7 LEU CA C 13 54.809 0.3 . 1 . . . . 125 LEU CA . 16185 1 29 . 1 1 7 7 LEU CB C 13 42.427 0.3 . 1 . . . . 125 LEU CB . 16185 1 30 . 1 1 7 7 LEU CD1 C 13 24.661 0.3 . 1 . . . . 125 LEU CD1 . 16185 1 31 . 1 1 7 7 LEU CD2 C 13 23.494 0.3 . 1 . . . . 125 LEU CD2 . 16185 1 32 . 1 1 7 7 LEU CG C 13 26.876 0.3 . 1 . . . . 125 LEU CG . 16185 1 33 . 1 1 7 7 LEU N N 15 121.817 0.3 . 1 . . . . 125 LEU N . 16185 1 34 . 1 1 8 8 GLY HA2 H 1 3.927 0.020 . 1 . . . . 126 GLY HA2 . 16185 1 35 . 1 1 8 8 GLY CA C 13 46.228 0.3 . 1 . . . . 126 GLY CA . 16185 1 36 . 1 1 8 8 GLY N N 15 109.919 0.3 . 1 . . . . 126 GLY N . 16185 1 37 . 1 1 9 9 GLY HA2 H 1 3.936 0.020 . 1 . . . . 127 GLY HA2 . 16185 1 38 . 1 1 9 9 GLY CA C 13 45.066 0.3 . 1 . . . . 127 GLY CA . 16185 1 39 . 1 1 9 9 GLY N N 15 109.078 0.3 . 1 . . . . 127 GLY N . 16185 1 40 . 1 1 10 10 TYR HA H 1 4.493 0.020 . 1 . . . . 128 TYR HA . 16185 1 41 . 1 1 10 10 TYR HB2 H 1 2.936 0.020 . 2 . . . . 128 TYR HB2 . 16185 1 42 . 1 1 10 10 TYR HB3 H 1 2.855 0.020 . 2 . . . . 128 TYR HB3 . 16185 1 43 . 1 1 10 10 TYR CA C 13 57.989 0.3 . 1 . . . . 128 TYR CA . 16185 1 44 . 1 1 10 10 TYR CB C 13 39.993 0.3 . 1 . . . . 128 TYR CB . 16185 1 45 . 1 1 10 10 TYR CD1 C 13 133.277 0.3 . 1 . . . . 128 TYR CD1 . 16185 1 46 . 1 1 10 10 TYR CE1 C 13 118.593 0.3 . 1 . . . . 128 TYR CE1 . 16185 1 47 . 1 1 10 10 TYR N N 15 117.855 0.3 . 1 . . . . 128 TYR N . 16185 1 48 . 1 1 11 11 MET HA H 1 4.544 0.020 . 1 . . . . 129 MET HA . 16185 1 49 . 1 1 11 11 MET HB2 H 1 1.604 0.020 . 2 . . . . 129 MET HB2 . 16185 1 50 . 1 1 11 11 MET HB3 H 1 1.048 0.020 . 2 . . . . 129 MET HB3 . 16185 1 51 . 1 1 11 11 MET CA C 13 53.765 0.3 . 1 . . . . 129 MET CA . 16185 1 52 . 1 1 11 11 MET CB C 13 34.633 0.3 . 1 . . . . 129 MET CB . 16185 1 53 . 1 1 11 11 MET CE C 13 17.123 0.3 . 1 . . . . 129 MET CE . 16185 1 54 . 1 1 11 11 MET CG C 13 31.870 0.3 . 1 . . . . 129 MET CG . 16185 1 55 . 1 1 11 11 MET N N 15 121.229 0.3 . 1 . . . . 129 MET N . 16185 1 56 . 1 1 12 12 LEU HA H 1 4.475 0.020 . 1 . . . . 130 LEU HA . 16185 1 57 . 1 1 12 12 LEU HB2 H 1 1.624 0.020 . 2 . . . . 130 LEU HB2 . 16185 1 58 . 1 1 12 12 LEU HB3 H 1 0.985 0.020 . 2 . . . . 130 LEU HB3 . 16185 1 59 . 1 1 12 12 LEU HG H 1 1.400 0.020 . 1 . . . . 130 LEU HG . 16185 1 60 . 1 1 12 12 LEU CA C 13 53.373 0.3 . 1 . . . . 130 LEU CA . 16185 1 61 . 1 1 12 12 LEU CB C 13 43.409 0.3 . 1 . . . . 130 LEU CB . 16185 1 62 . 1 1 12 12 LEU CD1 C 13 25.728 0.3 . 1 . . . . 130 LEU CD1 . 16185 1 63 . 1 1 12 12 LEU CD2 C 13 21.732 0.3 . 1 . . . . 130 LEU CD2 . 16185 1 64 . 1 1 12 12 LEU CG C 13 25.967 0.3 . 1 . . . . 130 LEU CG . 16185 1 65 . 1 1 12 12 LEU N N 15 121.455 0.3 . 1 . . . . 130 LEU N . 16185 1 66 . 1 1 13 13 GLY HA2 H 1 4.445 0.020 . 1 . . . . 131 GLY HA2 . 16185 1 67 . 1 1 13 13 GLY CA C 13 44.940 0.3 . 1 . . . . 131 GLY CA . 16185 1 68 . 1 1 13 13 GLY N N 15 115.150 0.3 . 1 . . . . 131 GLY N . 16185 1 69 . 1 1 14 14 SER HA H 1 4.419 0.020 . 1 . . . . 132 SER HA . 16185 1 70 . 1 1 14 14 SER HB2 H 1 3.913 0.020 . 2 . . . . 132 SER HB2 . 16185 1 71 . 1 1 14 14 SER HB3 H 1 3.989 0.020 . 2 . . . . 132 SER HB3 . 16185 1 72 . 1 1 14 14 SER CA C 13 58.453 0.3 . 1 . . . . 132 SER CA . 16185 1 73 . 1 1 14 14 SER CB C 13 63.982 0.3 . 1 . . . . 132 SER CB . 16185 1 74 . 1 1 14 14 SER N N 15 113.673 0.3 . 1 . . . . 132 SER N . 16185 1 75 . 1 1 15 15 ALA HA H 1 4.435 0.020 . 1 . . . . 133 ALA HA . 16185 1 76 . 1 1 15 15 ALA CA C 13 52.845 0.3 . 1 . . . . 133 ALA CA . 16185 1 77 . 1 1 15 15 ALA CB C 13 18.373 0.3 . 1 . . . . 133 ALA CB . 16185 1 78 . 1 1 15 15 ALA N N 15 125.535 0.3 . 1 . . . . 133 ALA N . 16185 1 79 . 1 1 16 16 MET HA H 1 4.752 0.020 . 1 . . . . 134 MET HA . 16185 1 80 . 1 1 16 16 MET HB2 H 1 2.065 0.020 . 2 . . . . 134 MET HB2 . 16185 1 81 . 1 1 16 16 MET HB3 H 1 1.992 0.020 . 2 . . . . 134 MET HB3 . 16185 1 82 . 1 1 16 16 MET HG2 H 1 2.556 0.020 . 2 . . . . 134 MET HG2 . 16185 1 83 . 1 1 16 16 MET HG3 H 1 2.466 0.020 . 2 . . . . 134 MET HG3 . 16185 1 84 . 1 1 16 16 MET CA C 13 53.902 0.3 . 1 . . . . 134 MET CA . 16185 1 85 . 1 1 16 16 MET CB C 13 36.614 0.3 . 1 . . . . 134 MET CB . 16185 1 86 . 1 1 16 16 MET CE C 13 17.861 0.3 . 1 . . . . 134 MET CE . 16185 1 87 . 1 1 16 16 MET CG C 13 31.543 0.3 . 1 . . . . 134 MET CG . 16185 1 88 . 1 1 16 16 MET N N 15 121.631 0.3 . 1 . . . . 134 MET N . 16185 1 89 . 1 1 17 17 SER HA H 1 4.349 0.020 . 1 . . . . 135 SER HA . 16185 1 90 . 1 1 17 17 SER HB2 H 1 3.848 0.020 . 2 . . . . 135 SER HB2 . 16185 1 91 . 1 1 17 17 SER HB3 H 1 3.763 0.020 . 2 . . . . 135 SER HB3 . 16185 1 92 . 1 1 17 17 SER CA C 13 58.665 0.3 . 1 . . . . 135 SER CA . 16185 1 93 . 1 1 17 17 SER CB C 13 63.033 0.3 . 1 . . . . 135 SER CB . 16185 1 94 . 1 1 17 17 SER N N 15 116.112 0.3 . 1 . . . . 135 SER N . 16185 1 95 . 1 1 18 18 ARG HA H 1 4.389 0.020 . 1 . . . . 136 ARG HA . 16185 1 96 . 1 1 18 18 ARG HB2 H 1 1.860 0.020 . 2 . . . . 136 ARG HB2 . 16185 1 97 . 1 1 18 18 ARG HB3 H 1 1.798 0.020 . 2 . . . . 136 ARG HB3 . 16185 1 98 . 1 1 18 18 ARG HD2 H 1 3.073 0.020 . 2 . . . . 136 ARG HD2 . 16185 1 99 . 1 1 18 18 ARG HD3 H 1 2.965 0.020 . 2 . . . . 136 ARG HD3 . 16185 1 100 . 1 1 18 18 ARG HE H 1 6.913 0.020 . 1 . . . . 136 ARG HE . 16185 1 101 . 1 1 18 18 ARG HG2 H 1 1.699 0.020 . 2 . . . . 136 ARG HG2 . 16185 1 102 . 1 1 18 18 ARG HG3 H 1 1.621 0.020 . 2 . . . . 136 ARG HG3 . 16185 1 103 . 1 1 18 18 ARG CA C 13 54.801 0.3 . 1 . . . . 136 ARG CA . 16185 1 104 . 1 1 18 18 ARG CB C 13 28.768 0.3 . 1 . . . . 136 ARG CB . 16185 1 105 . 1 1 18 18 ARG CD C 13 43.817 0.3 . 1 . . . . 136 ARG CD . 16185 1 106 . 1 1 18 18 ARG CG C 13 29.440 0.3 . 1 . . . . 136 ARG CG . 16185 1 107 . 1 1 18 18 ARG N N 15 126.453 0.3 . 1 . . . . 136 ARG N . 16185 1 108 . 1 1 18 18 ARG NE N 15 85.610 0.3 . 1 . . . . 136 ARG NE . 16185 1 109 . 1 1 19 19 PRO HA H 1 4.439 0.020 . 1 . . . . 137 PRO HA . 16185 1 110 . 1 1 19 19 PRO HB2 H 1 2.243 0.020 . 2 . . . . 137 PRO HB2 . 16185 1 111 . 1 1 19 19 PRO HB3 H 1 1.781 0.020 . 2 . . . . 137 PRO HB3 . 16185 1 112 . 1 1 19 19 PRO HD2 H 1 3.933 0.020 . 2 . . . . 137 PRO HD2 . 16185 1 113 . 1 1 19 19 PRO HD3 H 1 3.671 0.020 . 2 . . . . 137 PRO HD3 . 16185 1 114 . 1 1 19 19 PRO HG2 H 1 2.043 0.020 . 2 . . . . 137 PRO HG2 . 16185 1 115 . 1 1 19 19 PRO HG3 H 1 2.024 0.020 . 2 . . . . 137 PRO HG3 . 16185 1 116 . 1 1 19 19 PRO CA C 13 62.271 0.3 . 1 . . . . 137 PRO CA . 16185 1 117 . 1 1 19 19 PRO CB C 13 32.255 0.3 . 1 . . . . 137 PRO CB . 16185 1 118 . 1 1 19 19 PRO CD C 13 50.577 0.3 . 1 . . . . 137 PRO CD . 16185 1 119 . 1 1 19 19 PRO CG C 13 27.313 0.3 . 1 . . . . 137 PRO CG . 16185 1 120 . 1 1 20 20 MET HA H 1 4.901 0.020 . 1 . . . . 138 MET HA . 16185 1 121 . 1 1 20 20 MET HB2 H 1 2.026 0.020 . 2 . . . . 138 MET HB2 . 16185 1 122 . 1 1 20 20 MET HB3 H 1 2.006 0.020 . 2 . . . . 138 MET HB3 . 16185 1 123 . 1 1 20 20 MET HG2 H 1 2.699 0.020 . 2 . . . . 138 MET HG2 . 16185 1 124 . 1 1 20 20 MET HG3 H 1 2.334 0.020 . 2 . . . . 138 MET HG3 . 16185 1 125 . 1 1 20 20 MET CA C 13 53.944 0.3 . 1 . . . . 138 MET CA . 16185 1 126 . 1 1 20 20 MET CB C 13 30.225 0.3 . 1 . . . . 138 MET CB . 16185 1 127 . 1 1 20 20 MET CE C 13 16.414 0.3 . 1 . . . . 138 MET CE . 16185 1 128 . 1 1 20 20 MET CG C 13 31.863 0.3 . 1 . . . . 138 MET CG . 16185 1 129 . 1 1 20 20 MET N N 15 122.199 0.3 . 1 . . . . 138 MET N . 16185 1 130 . 1 1 21 21 ILE HA H 1 3.828 0.020 . 1 . . . . 139 ILE HA . 16185 1 131 . 1 1 21 21 ILE HB H 1 0.782 0.020 . 1 . . . . 139 ILE HB . 16185 1 132 . 1 1 21 21 ILE HG12 H 1 0.906 0.020 . 2 . . . . 139 ILE HG12 . 16185 1 133 . 1 1 21 21 ILE HG13 H 1 0.736 0.020 . 2 . . . . 139 ILE HG13 . 16185 1 134 . 1 1 21 21 ILE CA C 13 59.465 0.3 . 1 . . . . 139 ILE CA . 16185 1 135 . 1 1 21 21 ILE CB C 13 38.874 0.3 . 1 . . . . 139 ILE CB . 16185 1 136 . 1 1 21 21 ILE CD1 C 13 12.433 0.3 . 1 . . . . 139 ILE CD1 . 16185 1 137 . 1 1 21 21 ILE CG1 C 13 26.595 0.3 . 1 . . . . 139 ILE CG1 . 16185 1 138 . 1 1 21 21 ILE CG2 C 13 17.128 0.3 . 1 . . . . 139 ILE CG2 . 16185 1 139 . 1 1 21 21 ILE N N 15 124.729 0.3 . 1 . . . . 139 ILE N . 16185 1 140 . 1 1 22 22 HIS HA H 1 4.925 0.020 . 1 . . . . 140 HIS HA . 16185 1 141 . 1 1 22 22 HIS HB2 H 1 3.309 0.020 . 2 . . . . 140 HIS HB2 . 16185 1 142 . 1 1 22 22 HIS HB3 H 1 2.959 0.020 . 2 . . . . 140 HIS HB3 . 16185 1 143 . 1 1 22 22 HIS HD2 H 1 7.237 0.020 . 1 . . . . 140 HIS HD2 . 16185 1 144 . 1 1 22 22 HIS HE1 H 1 8.605 0.020 . 1 . . . . 140 HIS HE1 . 16185 1 145 . 1 1 22 22 HIS CA C 13 54.075 0.3 . 1 . . . . 140 HIS CA . 16185 1 146 . 1 1 22 22 HIS CB C 13 29.481 0.3 . 1 . . . . 140 HIS CB . 16185 1 147 . 1 1 22 22 HIS CD2 C 13 120.180 0.3 . 1 . . . . 140 HIS CD2 . 16185 1 148 . 1 1 22 22 HIS CE1 C 13 136.719 0.3 . 1 . . . . 140 HIS CE1 . 16185 1 149 . 1 1 22 22 HIS N N 15 121.960 0.3 . 1 . . . . 140 HIS N . 16185 1 150 . 1 1 23 23 PHE HA H 1 4.274 0.020 . 1 . . . . 141 PHE HA . 16185 1 151 . 1 1 23 23 PHE HB2 H 1 3.304 0.020 . 2 . . . . 141 PHE HB2 . 16185 1 152 . 1 1 23 23 PHE HB3 H 1 2.798 0.020 . 2 . . . . 141 PHE HB3 . 16185 1 153 . 1 1 23 23 PHE HZ H 1 6.769 0.020 . 1 . . . . 141 PHE HZ . 16185 1 154 . 1 1 23 23 PHE CA C 13 59.595 0.3 . 1 . . . . 141 PHE CA . 16185 1 155 . 1 1 23 23 PHE CB C 13 40.829 0.3 . 1 . . . . 141 PHE CB . 16185 1 156 . 1 1 23 23 PHE CD1 C 13 132.364 0.3 . 1 . . . . 141 PHE CD1 . 16185 1 157 . 1 1 23 23 PHE CE1 C 13 131.477 0.3 . 1 . . . . 141 PHE CE1 . 16185 1 158 . 1 1 23 23 PHE CZ C 13 129.404 0.3 . 1 . . . . 141 PHE CZ . 16185 1 159 . 1 1 23 23 PHE N N 15 124.650 0.3 . 1 . . . . 141 PHE N . 16185 1 160 . 1 1 24 24 GLY HA2 H 1 4.140 0.020 . 1 . . . . 142 GLY HA2 . 16185 1 161 . 1 1 24 24 GLY CA C 13 45.642 0.3 . 1 . . . . 142 GLY CA . 16185 1 162 . 1 1 24 24 GLY N N 15 109.150 0.3 . 1 . . . . 142 GLY N . 16185 1 163 . 1 1 25 25 ASN HA H 1 4.899 0.020 . 1 . . . . 143 ASN HA . 16185 1 164 . 1 1 25 25 ASN HB2 H 1 2.725 0.020 . 2 . . . . 143 ASN HB2 . 16185 1 165 . 1 1 25 25 ASN HB3 H 1 2.714 0.020 . 2 . . . . 143 ASN HB3 . 16185 1 166 . 1 1 25 25 ASN HD21 H 1 7.612 0.020 . 1 . . . . 143 ASN HD21 . 16185 1 167 . 1 1 25 25 ASN HD22 H 1 7.429 0.020 . 1 . . . . 143 ASN HD22 . 16185 1 168 . 1 1 25 25 ASN CA C 13 52.509 0.3 . 1 . . . . 143 ASN CA . 16185 1 169 . 1 1 25 25 ASN CB C 13 41.523 0.3 . 1 . . . . 143 ASN CB . 16185 1 170 . 1 1 25 25 ASN N N 15 114.465 0.3 . 1 . . . . 143 ASN N . 16185 1 171 . 1 1 25 25 ASN ND2 N 15 115.786 0.3 . 1 . . . . 143 ASN ND2 . 16185 1 172 . 1 1 26 26 ASP HA H 1 4.453 0.020 . 1 . . . . 144 ASP HA . 16185 1 173 . 1 1 26 26 ASP CA C 13 57.804 0.3 . 1 . . . . 144 ASP CA . 16185 1 174 . 1 1 26 26 ASP CB C 13 40.996 0.3 . 1 . . . . 144 ASP CB . 16185 1 175 . 1 1 26 26 ASP N N 15 123.531 0.3 . 1 . . . . 144 ASP N . 16185 1 176 . 1 1 27 27 TRP HA H 1 4.245 0.020 . 1 . . . . 145 TRP HA . 16185 1 177 . 1 1 27 27 TRP HD1 H 1 7.352 0.020 . 1 . . . . 145 TRP HD1 . 16185 1 178 . 1 1 27 27 TRP HE1 H 1 10.253 0.020 . 1 . . . . 145 TRP HE1 . 16185 1 179 . 1 1 27 27 TRP HE3 H 1 7.364 0.020 . 1 . . . . 145 TRP HE3 . 16185 1 180 . 1 1 27 27 TRP HH2 H 1 6.903 0.020 . 1 . . . . 145 TRP HH2 . 16185 1 181 . 1 1 27 27 TRP HZ2 H 1 7.439 0.020 . 1 . . . . 145 TRP HZ2 . 16185 1 182 . 1 1 27 27 TRP HZ3 H 1 6.724 0.020 . 1 . . . . 145 TRP HZ3 . 16185 1 183 . 1 1 27 27 TRP CA C 13 61.794 0.3 . 1 . . . . 145 TRP CA . 16185 1 184 . 1 1 27 27 TRP CB C 13 28.298 0.3 . 1 . . . . 145 TRP CB . 16185 1 185 . 1 1 27 27 TRP CD1 C 13 127.934 0.3 . 1 . . . . 145 TRP CD1 . 16185 1 186 . 1 1 27 27 TRP CE3 C 13 121.019 0.3 . 1 . . . . 145 TRP CE3 . 16185 1 187 . 1 1 27 27 TRP CH2 C 13 125.176 0.3 . 1 . . . . 145 TRP CH2 . 16185 1 188 . 1 1 27 27 TRP CZ2 C 13 114.999 0.3 . 1 . . . . 145 TRP CZ2 . 16185 1 189 . 1 1 27 27 TRP CZ3 C 13 121.542 0.3 . 1 . . . . 145 TRP CZ3 . 16185 1 190 . 1 1 27 27 TRP N N 15 120.623 0.3 . 1 . . . . 145 TRP N . 16185 1 191 . 1 1 27 27 TRP NE1 N 15 129.596 0.3 . 1 . . . . 145 TRP NE1 . 16185 1 192 . 1 1 28 28 GLU HA H 1 3.462 0.020 . 1 . . . . 146 GLU HA . 16185 1 193 . 1 1 28 28 GLU HB2 H 1 1.849 0.020 . 2 . . . . 146 GLU HB2 . 16185 1 194 . 1 1 28 28 GLU HB3 H 1 1.278 0.020 . 2 . . . . 146 GLU HB3 . 16185 1 195 . 1 1 28 28 GLU HG2 H 1 2.154 0.020 . 2 . . . . 146 GLU HG2 . 16185 1 196 . 1 1 28 28 GLU HG3 H 1 1.606 0.020 . 2 . . . . 146 GLU HG3 . 16185 1 197 . 1 1 28 28 GLU CA C 13 59.787 0.3 . 1 . . . . 146 GLU CA . 16185 1 198 . 1 1 28 28 GLU CB C 13 29.420 0.3 . 1 . . . . 146 GLU CB . 16185 1 199 . 1 1 28 28 GLU CG C 13 36.905 0.3 . 1 . . . . 146 GLU CG . 16185 1 200 . 1 1 28 28 GLU N N 15 120.314 0.3 . 1 . . . . 146 GLU N . 16185 1 201 . 1 1 29 29 ASP HA H 1 4.701 0.020 . 1 . . . . 147 ASP HA . 16185 1 202 . 1 1 29 29 ASP HB2 H 1 2.942 0.020 . 2 . . . . 147 ASP HB2 . 16185 1 203 . 1 1 29 29 ASP HB3 H 1 2.847 0.020 . 2 . . . . 147 ASP HB3 . 16185 1 204 . 1 1 29 29 ASP CA C 13 58.577 0.3 . 1 . . . . 147 ASP CA . 16185 1 205 . 1 1 29 29 ASP CB C 13 40.358 0.3 . 1 . . . . 147 ASP CB . 16185 1 206 . 1 1 29 29 ASP N N 15 119.103 0.3 . 1 . . . . 147 ASP N . 16185 1 207 . 1 1 30 30 ARG HA H 1 3.985 0.020 . 1 . . . . 148 ARG HA . 16185 1 208 . 1 1 30 30 ARG HD2 H 1 3.218 0.020 . 2 . . . . 148 ARG HD2 . 16185 1 209 . 1 1 30 30 ARG HD3 H 1 3.197 0.020 . 2 . . . . 148 ARG HD3 . 16185 1 210 . 1 1 30 30 ARG HE H 1 7.457 0.020 . 1 . . . . 148 ARG HE . 16185 1 211 . 1 1 30 30 ARG HG2 H 1 1.730 0.020 . 2 . . . . 148 ARG HG2 . 16185 1 212 . 1 1 30 30 ARG HG3 H 1 1.495 0.020 . 2 . . . . 148 ARG HG3 . 16185 1 213 . 1 1 30 30 ARG CA C 13 59.592 0.3 . 1 . . . . 148 ARG CA . 16185 1 214 . 1 1 30 30 ARG CB C 13 29.845 0.3 . 1 . . . . 148 ARG CB . 16185 1 215 . 1 1 30 30 ARG CD C 13 43.513 0.3 . 1 . . . . 148 ARG CD . 16185 1 216 . 1 1 30 30 ARG CG C 13 27.688 0.3 . 1 . . . . 148 ARG CG . 16185 1 217 . 1 1 30 30 ARG N N 15 120.067 0.3 . 1 . . . . 148 ARG N . 16185 1 218 . 1 1 30 30 ARG NE N 15 85.201 0.3 . 1 . . . . 148 ARG NE . 16185 1 219 . 1 1 31 31 TYR HA H 1 3.747 0.020 . 1 . . . . 149 TYR HA . 16185 1 220 . 1 1 31 31 TYR HB2 H 1 2.682 0.020 . 2 . . . . 149 TYR HB2 . 16185 1 221 . 1 1 31 31 TYR HB3 H 1 2.319 0.020 . 2 . . . . 149 TYR HB3 . 16185 1 222 . 1 1 31 31 TYR CA C 13 62.190 0.3 . 1 . . . . 149 TYR CA . 16185 1 223 . 1 1 31 31 TYR CB C 13 38.183 0.3 . 1 . . . . 149 TYR CB . 16185 1 224 . 1 1 31 31 TYR CD1 C 13 133.899 0.3 . 1 . . . . 149 TYR CD1 . 16185 1 225 . 1 1 31 31 TYR CE1 C 13 118.319 0.3 . 1 . . . . 149 TYR CE1 . 16185 1 226 . 1 1 31 31 TYR N N 15 120.980 0.3 . 1 . . . . 149 TYR N . 16185 1 227 . 1 1 32 32 TYR HA H 1 4.094 0.020 . 1 . . . . 150 TYR HA . 16185 1 228 . 1 1 32 32 TYR HB2 H 1 3.564 0.020 . 2 . . . . 150 TYR HB2 . 16185 1 229 . 1 1 32 32 TYR HB3 H 1 3.227 0.020 . 2 . . . . 150 TYR HB3 . 16185 1 230 . 1 1 32 32 TYR CA C 13 63.110 0.3 . 1 . . . . 150 TYR CA . 16185 1 231 . 1 1 32 32 TYR CB C 13 38.390 0.3 . 1 . . . . 150 TYR CB . 16185 1 232 . 1 1 32 32 TYR CD1 C 13 133.821 0.3 . 1 . . . . 150 TYR CD1 . 16185 1 233 . 1 1 32 32 TYR CE1 C 13 118.700 0.3 . 1 . . . . 150 TYR CE1 . 16185 1 234 . 1 1 32 32 TYR N N 15 120.400 0.3 . 1 . . . . 150 TYR N . 16185 1 235 . 1 1 33 33 ARG HA H 1 3.871 0.020 . 1 . . . . 151 ARG HA . 16185 1 236 . 1 1 33 33 ARG HB2 H 1 2.037 0.020 . 2 . . . . 151 ARG HB2 . 16185 1 237 . 1 1 33 33 ARG HB3 H 1 1.972 0.020 . 2 . . . . 151 ARG HB3 . 16185 1 238 . 1 1 33 33 ARG HD2 H 1 3.366 0.020 . 2 . . . . 151 ARG HD2 . 16185 1 239 . 1 1 33 33 ARG HD3 H 1 3.292 0.020 . 2 . . . . 151 ARG HD3 . 16185 1 240 . 1 1 33 33 ARG HE H 1 7.492 0.020 . 1 . . . . 151 ARG HE . 16185 1 241 . 1 1 33 33 ARG HG2 H 1 2.007 0.020 . 2 . . . . 151 ARG HG2 . 16185 1 242 . 1 1 33 33 ARG HG3 H 1 1.760 0.020 . 2 . . . . 151 ARG HG3 . 16185 1 243 . 1 1 33 33 ARG CA C 13 59.986 0.3 . 1 . . . . 151 ARG CA . 16185 1 244 . 1 1 33 33 ARG CB C 13 29.799 0.3 . 1 . . . . 151 ARG CB . 16185 1 245 . 1 1 33 33 ARG CD C 13 43.554 0.3 . 1 . . . . 151 ARG CD . 16185 1 246 . 1 1 33 33 ARG CG C 13 28.430 0.3 . 1 . . . . 151 ARG CG . 16185 1 247 . 1 1 33 33 ARG N N 15 117.276 0.3 . 1 . . . . 151 ARG N . 16185 1 248 . 1 1 33 33 ARG NE N 15 84.830 0.3 . 1 . . . . 151 ARG NE . 16185 1 249 . 1 1 34 34 GLU HA H 1 4.116 0.020 . 1 . . . . 152 GLU HA . 16185 1 250 . 1 1 34 34 GLU HG2 H 1 2.473 0.020 . 2 . . . . 152 GLU HG2 . 16185 1 251 . 1 1 34 34 GLU HG3 H 1 2.276 0.020 . 2 . . . . 152 GLU HG3 . 16185 1 252 . 1 1 34 34 GLU CA C 13 57.626 0.3 . 1 . . . . 152 GLU CA . 16185 1 253 . 1 1 34 34 GLU CB C 13 29.694 0.3 . 1 . . . . 152 GLU CB . 16185 1 254 . 1 1 34 34 GLU CG C 13 35.627 0.3 . 1 . . . . 152 GLU CG . 16185 1 255 . 1 1 34 34 GLU N N 15 115.346 0.3 . 1 . . . . 152 GLU N . 16185 1 256 . 1 1 35 35 ASN HA H 1 4.520 0.020 . 1 . . . . 153 ASN HA . 16185 1 257 . 1 1 35 35 ASN HB2 H 1 2.253 0.020 . 2 . . . . 153 ASN HB2 . 16185 1 258 . 1 1 35 35 ASN HB3 H 1 2.149 0.020 . 2 . . . . 153 ASN HB3 . 16185 1 259 . 1 1 35 35 ASN HD21 H 1 6.740 0.020 . 1 . . . . 153 ASN HD21 . 16185 1 260 . 1 1 35 35 ASN HD22 H 1 6.538 0.020 . 1 . . . . 153 ASN HD22 . 16185 1 261 . 1 1 35 35 ASN CA C 13 54.802 0.3 . 1 . . . . 153 ASN CA . 16185 1 262 . 1 1 35 35 ASN CB C 13 41.173 0.3 . 1 . . . . 153 ASN CB . 16185 1 263 . 1 1 35 35 ASN N N 15 115.321 0.3 . 1 . . . . 153 ASN N . 16185 1 264 . 1 1 35 35 ASN ND2 N 15 116.762 0.3 . 1 . . . . 153 ASN ND2 . 16185 1 265 . 1 1 36 36 MET HA H 1 3.482 0.020 . 1 . . . . 154 MET HA . 16185 1 266 . 1 1 36 36 MET HB2 H 1 1.589 0.020 . 2 . . . . 154 MET HB2 . 16185 1 267 . 1 1 36 36 MET HB3 H 1 1.262 0.020 . 2 . . . . 154 MET HB3 . 16185 1 268 . 1 1 36 36 MET HG2 H 1 2.291 0.020 . 2 . . . . 154 MET HG2 . 16185 1 269 . 1 1 36 36 MET HG3 H 1 1.785 0.020 . 2 . . . . 154 MET HG3 . 16185 1 270 . 1 1 36 36 MET CA C 13 59.161 0.3 . 1 . . . . 154 MET CA . 16185 1 271 . 1 1 36 36 MET CB C 13 30.578 0.3 . 1 . . . . 154 MET CB . 16185 1 272 . 1 1 36 36 MET CE C 13 17.270 0.3 . 1 . . . . 154 MET CE . 16185 1 273 . 1 1 36 36 MET CG C 13 30.165 0.3 . 1 . . . . 154 MET CG . 16185 1 274 . 1 1 36 36 MET N N 15 118.288 0.3 . 1 . . . . 154 MET N . 16185 1 275 . 1 1 37 37 TYR HA H 1 4.149 0.020 . 1 . . . . 155 TYR HA . 16185 1 276 . 1 1 37 37 TYR HB2 H 1 3.017 0.020 . 2 . . . . 155 TYR HB2 . 16185 1 277 . 1 1 37 37 TYR HB3 H 1 2.945 0.020 . 2 . . . . 155 TYR HB3 . 16185 1 278 . 1 1 37 37 TYR CA C 13 59.355 0.3 . 1 . . . . 155 TYR CA . 16185 1 279 . 1 1 37 37 TYR CB C 13 36.182 0.3 . 1 . . . . 155 TYR CB . 16185 1 280 . 1 1 37 37 TYR CD1 C 13 133.547 0.3 . 1 . . . . 155 TYR CD1 . 16185 1 281 . 1 1 37 37 TYR CE1 C 13 118.847 0.3 . 1 . . . . 155 TYR CE1 . 16185 1 282 . 1 1 37 37 TYR N N 15 116.279 0.3 . 1 . . . . 155 TYR N . 16185 1 283 . 1 1 38 38 ARG HA H 1 4.033 0.020 . 1 . . . . 156 ARG HA . 16185 1 284 . 1 1 38 38 ARG HB2 H 1 1.961 0.020 . 2 . . . . 156 ARG HB2 . 16185 1 285 . 1 1 38 38 ARG HB3 H 1 1.330 0.020 . 2 . . . . 156 ARG HB3 . 16185 1 286 . 1 1 38 38 ARG HD2 H 1 3.207 0.020 . 2 . . . . 156 ARG HD2 . 16185 1 287 . 1 1 38 38 ARG HD3 H 1 3.084 0.020 . 2 . . . . 156 ARG HD3 . 16185 1 288 . 1 1 38 38 ARG HE H 1 7.270 0.020 . 1 . . . . 156 ARG HE . 16185 1 289 . 1 1 38 38 ARG HG2 H 1 1.275 0.020 . 2 . . . . 156 ARG HG2 . 16185 1 290 . 1 1 38 38 ARG HG3 H 1 0.654 0.020 . 2 . . . . 156 ARG HG3 . 16185 1 291 . 1 1 38 38 ARG HH21 H 1 6.429 0.020 . 1 . . . . 156 ARG HH21 . 16185 1 292 . 1 1 38 38 ARG CA C 13 56.341 0.3 . 1 . . . . 156 ARG CA . 16185 1 293 . 1 1 38 38 ARG CB C 13 30.671 0.3 . 1 . . . . 156 ARG CB . 16185 1 294 . 1 1 38 38 ARG CD C 13 44.334 0.3 . 1 . . . . 156 ARG CD . 16185 1 295 . 1 1 38 38 ARG CG C 13 27.385 0.3 . 1 . . . . 156 ARG CG . 16185 1 296 . 1 1 38 38 ARG N N 15 118.511 0.3 . 1 . . . . 156 ARG N . 16185 1 297 . 1 1 38 38 ARG NE N 15 84.637 0.3 . 1 . . . . 156 ARG NE . 16185 1 298 . 1 1 39 39 TYR HA H 1 5.059 0.020 . 1 . . . . 157 TYR HA . 16185 1 299 . 1 1 39 39 TYR HB2 H 1 3.139 0.020 . 2 . . . . 157 TYR HB2 . 16185 1 300 . 1 1 39 39 TYR HB3 H 1 3.101 0.020 . 2 . . . . 157 TYR HB3 . 16185 1 301 . 1 1 39 39 TYR CA C 13 52.918 0.3 . 1 . . . . 157 TYR CA . 16185 1 302 . 1 1 39 39 TYR CB C 13 35.171 0.3 . 1 . . . . 157 TYR CB . 16185 1 303 . 1 1 39 39 TYR CD1 C 13 131.623 0.3 . 1 . . . . 157 TYR CD1 . 16185 1 304 . 1 1 39 39 TYR CE1 C 13 117.675 0.3 . 1 . . . . 157 TYR CE1 . 16185 1 305 . 1 1 39 39 TYR N N 15 120.419 0.3 . 1 . . . . 157 TYR N . 16185 1 306 . 1 1 40 40 PRO HA H 1 4.486 0.020 . 1 . . . . 158 PRO HA . 16185 1 307 . 1 1 40 40 PRO HB2 H 1 2.462 0.020 . 2 . . . . 158 PRO HB2 . 16185 1 308 . 1 1 40 40 PRO HB3 H 1 1.756 0.020 . 2 . . . . 158 PRO HB3 . 16185 1 309 . 1 1 40 40 PRO HD2 H 1 3.475 0.020 . 2 . . . . 158 PRO HD2 . 16185 1 310 . 1 1 40 40 PRO HD3 H 1 3.217 0.020 . 2 . . . . 158 PRO HD3 . 16185 1 311 . 1 1 40 40 PRO HG2 H 1 1.605 0.020 . 2 . . . . 158 PRO HG2 . 16185 1 312 . 1 1 40 40 PRO HG3 H 1 1.409 0.020 . 2 . . . . 158 PRO HG3 . 16185 1 313 . 1 1 40 40 PRO CA C 13 63.475 0.3 . 1 . . . . 158 PRO CA . 16185 1 314 . 1 1 40 40 PRO CB C 13 32.426 0.3 . 1 . . . . 158 PRO CB . 16185 1 315 . 1 1 40 40 PRO CD C 13 50.133 0.3 . 1 . . . . 158 PRO CD . 16185 1 316 . 1 1 40 40 PRO CG C 13 27.306 0.3 . 1 . . . . 158 PRO CG . 16185 1 317 . 1 1 41 41 ASN HA H 1 4.745 0.020 . 1 . . . . 159 ASN HA . 16185 1 318 . 1 1 41 41 ASN HB2 H 1 3.753 0.020 . 2 . . . . 159 ASN HB2 . 16185 1 319 . 1 1 41 41 ASN HB3 H 1 2.401 0.020 . 2 . . . . 159 ASN HB3 . 16185 1 320 . 1 1 41 41 ASN HD21 H 1 7.527 0.020 . 1 . . . . 159 ASN HD21 . 16185 1 321 . 1 1 41 41 ASN HD22 H 1 6.832 0.020 . 1 . . . . 159 ASN HD22 . 16185 1 322 . 1 1 41 41 ASN CA C 13 51.687 0.3 . 1 . . . . 159 ASN CA . 16185 1 323 . 1 1 41 41 ASN CB C 13 38.091 0.3 . 1 . . . . 159 ASN CB . 16185 1 324 . 1 1 41 41 ASN N N 15 115.694 0.3 . 1 . . . . 159 ASN N . 16185 1 325 . 1 1 41 41 ASN ND2 N 15 109.107 0.3 . 1 . . . . 159 ASN ND2 . 16185 1 326 . 1 1 42 42 GLN HA H 1 4.618 0.020 . 1 . . . . 160 GLN HA . 16185 1 327 . 1 1 42 42 GLN HB2 H 1 1.984 0.020 . 2 . . . . 160 GLN HB2 . 16185 1 328 . 1 1 42 42 GLN HB3 H 1 1.707 0.020 . 2 . . . . 160 GLN HB3 . 16185 1 329 . 1 1 42 42 GLN HE21 H 1 7.930 0.020 . 1 . . . . 160 GLN HE21 . 16185 1 330 . 1 1 42 42 GLN HE22 H 1 7.047 0.020 . 1 . . . . 160 GLN HE22 . 16185 1 331 . 1 1 42 42 GLN HG2 H 1 2.169 0.020 . 2 . . . . 160 GLN HG2 . 16185 1 332 . 1 1 42 42 GLN HG3 H 1 2.050 0.020 . 2 . . . . 160 GLN HG3 . 16185 1 333 . 1 1 42 42 GLN CA C 13 54.136 0.3 . 1 . . . . 160 GLN CA . 16185 1 334 . 1 1 42 42 GLN CB C 13 33.732 0.3 . 1 . . . . 160 GLN CB . 16185 1 335 . 1 1 42 42 GLN CG C 13 34.168 0.3 . 1 . . . . 160 GLN CG . 16185 1 336 . 1 1 42 42 GLN N N 15 113.759 0.3 . 1 . . . . 160 GLN N . 16185 1 337 . 1 1 42 42 GLN NE2 N 15 112.899 0.3 . 1 . . . . 160 GLN NE2 . 16185 1 338 . 1 1 43 43 VAL HA H 1 4.925 0.020 . 1 . . . . 161 VAL HA . 16185 1 339 . 1 1 43 43 VAL HB H 1 2.606 0.020 . 1 . . . . 161 VAL HB . 16185 1 340 . 1 1 43 43 VAL CA C 13 58.681 0.3 . 1 . . . . 161 VAL CA . 16185 1 341 . 1 1 43 43 VAL CB C 13 33.978 0.3 . 1 . . . . 161 VAL CB . 16185 1 342 . 1 1 43 43 VAL CG1 C 13 23.814 0.3 . 1 . . . . 161 VAL CG1 . 16185 1 343 . 1 1 43 43 VAL CG2 C 13 18.075 0.3 . 1 . . . . 161 VAL CG2 . 16185 1 344 . 1 1 43 43 VAL N N 15 113.036 0.3 . 1 . . . . 161 VAL N . 16185 1 345 . 1 1 44 44 TYR HA H 1 5.567 0.020 . 1 . . . . 162 TYR HA . 16185 1 346 . 1 1 44 44 TYR HB2 H 1 2.631 0.020 . 2 . . . . 162 TYR HB2 . 16185 1 347 . 1 1 44 44 TYR HB3 H 1 2.555 0.020 . 2 . . . . 162 TYR HB3 . 16185 1 348 . 1 1 44 44 TYR CA C 13 56.909 0.3 . 1 . . . . 162 TYR CA . 16185 1 349 . 1 1 44 44 TYR CB C 13 41.887 0.3 . 1 . . . . 162 TYR CB . 16185 1 350 . 1 1 44 44 TYR CD1 C 13 133.317 0.3 . 1 . . . . 162 TYR CD1 . 16185 1 351 . 1 1 44 44 TYR CE1 C 13 118.739 0.3 . 1 . . . . 162 TYR CE1 . 16185 1 352 . 1 1 44 44 TYR N N 15 121.286 0.3 . 1 . . . . 162 TYR N . 16185 1 353 . 1 1 45 45 TYR HA H 1 4.857 0.020 . 1 . . . . 163 TYR HA . 16185 1 354 . 1 1 45 45 TYR HB2 H 1 2.856 0.020 . 2 . . . . 163 TYR HB2 . 16185 1 355 . 1 1 45 45 TYR HB3 H 1 2.702 0.020 . 2 . . . . 163 TYR HB3 . 16185 1 356 . 1 1 45 45 TYR CA C 13 55.865 0.3 . 1 . . . . 163 TYR CA . 16185 1 357 . 1 1 45 45 TYR CB C 13 40.139 0.3 . 1 . . . . 163 TYR CB . 16185 1 358 . 1 1 45 45 TYR CD1 C 13 134.338 0.3 . 1 . . . . 163 TYR CD1 . 16185 1 359 . 1 1 45 45 TYR CE1 C 13 117.918 0.3 . 1 . . . . 163 TYR CE1 . 16185 1 360 . 1 1 45 45 TYR N N 15 111.088 0.3 . 1 . . . . 163 TYR N . 16185 1 361 . 1 1 46 46 ARG HA H 1 4.672 0.020 . 1 . . . . 164 ARG HA . 16185 1 362 . 1 1 46 46 ARG HB2 H 1 1.822 0.020 . 2 . . . . 164 ARG HB2 . 16185 1 363 . 1 1 46 46 ARG HB3 H 1 1.696 0.020 . 2 . . . . 164 ARG HB3 . 16185 1 364 . 1 1 46 46 ARG HD2 H 1 2.878 0.020 . 2 . . . . 164 ARG HD2 . 16185 1 365 . 1 1 46 46 ARG HD3 H 1 2.859 0.020 . 2 . . . . 164 ARG HD3 . 16185 1 366 . 1 1 46 46 ARG HE H 1 6.609 0.020 . 1 . . . . 164 ARG HE . 16185 1 367 . 1 1 46 46 ARG HG2 H 1 1.161 0.020 . 2 . . . . 164 ARG HG2 . 16185 1 368 . 1 1 46 46 ARG HG3 H 1 1.010 0.020 . 2 . . . . 164 ARG HG3 . 16185 1 369 . 1 1 46 46 ARG CA C 13 53.389 0.3 . 1 . . . . 164 ARG CA . 16185 1 370 . 1 1 46 46 ARG CB C 13 30.018 0.3 . 1 . . . . 164 ARG CB . 16185 1 371 . 1 1 46 46 ARG CD C 13 43.606 0.3 . 1 . . . . 164 ARG CD . 16185 1 372 . 1 1 46 46 ARG CG C 13 27.815 0.3 . 1 . . . . 164 ARG CG . 16185 1 373 . 1 1 46 46 ARG N N 15 120.736 0.3 . 1 . . . . 164 ARG N . 16185 1 374 . 1 1 46 46 ARG NE N 15 84.608 0.3 . 1 . . . . 164 ARG NE . 16185 1 375 . 1 1 47 47 PRO HA H 1 4.580 0.020 . 1 . . . . 165 PRO HA . 16185 1 376 . 1 1 47 47 PRO HB2 H 1 2.515 0.020 . 2 . . . . 165 PRO HB2 . 16185 1 377 . 1 1 47 47 PRO HB3 H 1 2.023 0.020 . 2 . . . . 165 PRO HB3 . 16185 1 378 . 1 1 47 47 PRO HD2 H 1 3.692 0.020 . 2 . . . . 165 PRO HD2 . 16185 1 379 . 1 1 47 47 PRO HD3 H 1 3.501 0.020 . 2 . . . . 165 PRO HD3 . 16185 1 380 . 1 1 47 47 PRO HG2 H 1 2.172 0.020 . 2 . . . . 165 PRO HG2 . 16185 1 381 . 1 1 47 47 PRO HG3 H 1 2.035 0.020 . 2 . . . . 165 PRO HG3 . 16185 1 382 . 1 1 47 47 PRO CA C 13 63.896 0.3 . 1 . . . . 165 PRO CA . 16185 1 383 . 1 1 47 47 PRO CB C 13 32.563 0.3 . 1 . . . . 165 PRO CB . 16185 1 384 . 1 1 47 47 PRO CD C 13 50.136 0.3 . 1 . . . . 165 PRO CD . 16185 1 385 . 1 1 47 47 PRO CG C 13 28.282 0.3 . 1 . . . . 165 PRO CG . 16185 1 386 . 1 1 48 48 ALA HA H 1 4.540 0.020 . 1 . . . . 166 ALA HA . 16185 1 387 . 1 1 48 48 ALA CA C 13 55.459 0.3 . 1 . . . . 166 ALA CA . 16185 1 388 . 1 1 48 48 ALA CB C 13 18.784 0.3 . 1 . . . . 166 ALA CB . 16185 1 389 . 1 1 48 48 ALA N N 15 123.501 0.3 . 1 . . . . 166 ALA N . 16185 1 390 . 1 1 49 49 ASP HA H 1 4.521 0.020 . 1 . . . . 167 ASP HA . 16185 1 391 . 1 1 49 49 ASP HB2 H 1 2.987 0.020 . 2 . . . . 167 ASP HB2 . 16185 1 392 . 1 1 49 49 ASP HB3 H 1 2.619 0.020 . 2 . . . . 167 ASP HB3 . 16185 1 393 . 1 1 49 49 ASP CA C 13 54.465 0.3 . 1 . . . . 167 ASP CA . 16185 1 394 . 1 1 49 49 ASP CB C 13 38.964 0.3 . 1 . . . . 167 ASP CB . 16185 1 395 . 1 1 49 49 ASP N N 15 114.256 0.3 . 1 . . . . 167 ASP N . 16185 1 396 . 1 1 50 50 GLN HA H 1 4.133 0.020 . 1 . . . . 168 GLN HA . 16185 1 397 . 1 1 50 50 GLN HB2 H 1 1.941 0.020 . 2 . . . . 168 GLN HB2 . 16185 1 398 . 1 1 50 50 GLN HB3 H 1 1.808 0.020 . 2 . . . . 168 GLN HB3 . 16185 1 399 . 1 1 50 50 GLN HE21 H 1 7.580 0.020 . 1 . . . . 168 GLN HE21 . 16185 1 400 . 1 1 50 50 GLN HE22 H 1 6.834 0.020 . 1 . . . . 168 GLN HE22 . 16185 1 401 . 1 1 50 50 GLN HG2 H 1 2.240 0.020 . 2 . . . . 168 GLN HG2 . 16185 1 402 . 1 1 50 50 GLN HG3 H 1 2.211 0.020 . 2 . . . . 168 GLN HG3 . 16185 1 403 . 1 1 50 50 GLN CA C 13 55.979 0.3 . 1 . . . . 168 GLN CA . 16185 1 404 . 1 1 50 50 GLN CB C 13 27.517 0.3 . 1 . . . . 168 GLN CB . 16185 1 405 . 1 1 50 50 GLN CG C 13 34.085 0.3 . 1 . . . . 168 GLN CG . 16185 1 406 . 1 1 50 50 GLN N N 15 118.024 0.3 . 1 . . . . 168 GLN N . 16185 1 407 . 1 1 50 50 GLN NE2 N 15 112.430 0.3 . 1 . . . . 168 GLN NE2 . 16185 1 408 . 1 1 51 51 TYR HA H 1 4.911 0.020 . 1 . . . . 169 TYR HA . 16185 1 409 . 1 1 51 51 TYR HB2 H 1 3.311 0.020 . 2 . . . . 169 TYR HB2 . 16185 1 410 . 1 1 51 51 TYR HB3 H 1 3.064 0.020 . 2 . . . . 169 TYR HB3 . 16185 1 411 . 1 1 51 51 TYR CA C 13 56.934 0.3 . 1 . . . . 169 TYR CA . 16185 1 412 . 1 1 51 51 TYR CB C 13 41.761 0.3 . 1 . . . . 169 TYR CB . 16185 1 413 . 1 1 51 51 TYR CD1 C 13 134.276 0.3 . 1 . . . . 169 TYR CD1 . 16185 1 414 . 1 1 51 51 TYR CE1 C 13 119.205 0.3 . 1 . . . . 169 TYR CE1 . 16185 1 415 . 1 1 51 51 TYR N N 15 117.344 0.3 . 1 . . . . 169 TYR N . 16185 1 416 . 1 1 52 52 SER HA H 1 4.539 0.020 . 1 . . . . 170 SER HA . 16185 1 417 . 1 1 52 52 SER HB2 H 1 4.059 0.020 . 2 . . . . 170 SER HB2 . 16185 1 418 . 1 1 52 52 SER HB3 H 1 3.979 0.020 . 2 . . . . 170 SER HB3 . 16185 1 419 . 1 1 52 52 SER CA C 13 58.928 0.3 . 1 . . . . 170 SER CA . 16185 1 420 . 1 1 52 52 SER CB C 13 63.947 0.3 . 1 . . . . 170 SER CB . 16185 1 421 . 1 1 52 52 SER N N 15 115.093 0.3 . 1 . . . . 170 SER N . 16185 1 422 . 1 1 53 53 ASN HA H 1 4.752 0.020 . 1 . . . . 171 ASN HA . 16185 1 423 . 1 1 53 53 ASN HB2 H 1 3.200 0.020 . 2 . . . . 171 ASN HB2 . 16185 1 424 . 1 1 53 53 ASN HB3 H 1 3.021 0.020 . 2 . . . . 171 ASN HB3 . 16185 1 425 . 1 1 53 53 ASN HD21 H 1 7.530 0.020 . 1 . . . . 171 ASN HD21 . 16185 1 426 . 1 1 53 53 ASN HD22 H 1 6.725 0.020 . 1 . . . . 171 ASN HD22 . 16185 1 427 . 1 1 53 53 ASN CA C 13 52.432 0.3 . 1 . . . . 171 ASN CA . 16185 1 428 . 1 1 53 53 ASN CB C 13 40.000 0.3 . 1 . . . . 171 ASN CB . 16185 1 429 . 1 1 53 53 ASN N N 15 114.623 0.3 . 1 . . . . 171 ASN N . 16185 1 430 . 1 1 53 53 ASN ND2 N 15 113.356 0.3 . 1 . . . . 171 ASN ND2 . 16185 1 431 . 1 1 54 54 GLN HA H 1 2.671 0.020 . 1 . . . . 172 GLN HA . 16185 1 432 . 1 1 54 54 GLN HB2 H 1 1.785 0.020 . 2 . . . . 172 GLN HB2 . 16185 1 433 . 1 1 54 54 GLN HB3 H 1 1.626 0.020 . 2 . . . . 172 GLN HB3 . 16185 1 434 . 1 1 54 54 GLN HE21 H 1 7.429 0.020 . 1 . . . . 172 GLN HE21 . 16185 1 435 . 1 1 54 54 GLN HE22 H 1 6.934 0.020 . 1 . . . . 172 GLN HE22 . 16185 1 436 . 1 1 54 54 GLN HG2 H 1 1.886 0.020 . 2 . . . . 172 GLN HG2 . 16185 1 437 . 1 1 54 54 GLN HG3 H 1 1.300 0.020 . 2 . . . . 172 GLN HG3 . 16185 1 438 . 1 1 54 54 GLN CA C 13 58.819 0.3 . 1 . . . . 172 GLN CA . 16185 1 439 . 1 1 54 54 GLN CB C 13 29.661 0.3 . 1 . . . . 172 GLN CB . 16185 1 440 . 1 1 54 54 GLN CG C 13 33.687 0.3 . 1 . . . . 172 GLN CG . 16185 1 441 . 1 1 54 54 GLN N N 15 119.901 0.3 . 1 . . . . 172 GLN N . 16185 1 442 . 1 1 54 54 GLN NE2 N 15 112.411 0.3 . 1 . . . . 172 GLN NE2 . 16185 1 443 . 1 1 55 55 ASN HA H 1 4.235 0.020 . 1 . . . . 173 ASN HA . 16185 1 444 . 1 1 55 55 ASN HB2 H 1 2.756 0.020 . 2 . . . . 173 ASN HB2 . 16185 1 445 . 1 1 55 55 ASN HB3 H 1 2.661 0.020 . 2 . . . . 173 ASN HB3 . 16185 1 446 . 1 1 55 55 ASN HD21 H 1 7.624 0.020 . 1 . . . . 173 ASN HD21 . 16185 1 447 . 1 1 55 55 ASN HD22 H 1 7.000 0.020 . 1 . . . . 173 ASN HD22 . 16185 1 448 . 1 1 55 55 ASN CA C 13 56.456 0.3 . 1 . . . . 173 ASN CA . 16185 1 449 . 1 1 55 55 ASN CB C 13 37.679 0.3 . 1 . . . . 173 ASN CB . 16185 1 450 . 1 1 55 55 ASN N N 15 117.544 0.3 . 1 . . . . 173 ASN N . 16185 1 451 . 1 1 55 55 ASN ND2 N 15 112.848 0.3 . 1 . . . . 173 ASN ND2 . 16185 1 452 . 1 1 56 56 ASN HA H 1 4.569 0.020 . 1 . . . . 174 ASN HA . 16185 1 453 . 1 1 56 56 ASN HB2 H 1 3.200 0.020 . 2 . . . . 174 ASN HB2 . 16185 1 454 . 1 1 56 56 ASN HB3 H 1 2.909 0.020 . 2 . . . . 174 ASN HB3 . 16185 1 455 . 1 1 56 56 ASN HD21 H 1 7.667 0.020 . 1 . . . . 174 ASN HD21 . 16185 1 456 . 1 1 56 56 ASN HD22 H 1 7.201 0.020 . 1 . . . . 174 ASN HD22 . 16185 1 457 . 1 1 56 56 ASN CA C 13 55.995 0.3 . 1 . . . . 174 ASN CA . 16185 1 458 . 1 1 56 56 ASN CB C 13 38.089 0.3 . 1 . . . . 174 ASN CB . 16185 1 459 . 1 1 56 56 ASN N N 15 118.593 0.3 . 1 . . . . 174 ASN N . 16185 1 460 . 1 1 56 56 ASN ND2 N 15 111.908 0.3 . 1 . . . . 174 ASN ND2 . 16185 1 461 . 1 1 57 57 PHE HB2 H 1 3.070 0.020 . 2 . . . . 175 PHE HB2 . 16185 1 462 . 1 1 57 57 PHE HB3 H 1 3.051 0.020 . 2 . . . . 175 PHE HB3 . 16185 1 463 . 1 1 57 57 PHE HZ H 1 6.767 0.020 . 1 . . . . 175 PHE HZ . 16185 1 464 . 1 1 57 57 PHE CA C 13 60.809 0.3 . 1 . . . . 175 PHE CA . 16185 1 465 . 1 1 57 57 PHE CB C 13 38.794 0.3 . 1 . . . . 175 PHE CB . 16185 1 466 . 1 1 57 57 PHE CD1 C 13 133.155 0.3 . 1 . . . . 175 PHE CD1 . 16185 1 467 . 1 1 57 57 PHE CE1 C 13 132.579 0.3 . 1 . . . . 175 PHE CE1 . 16185 1 468 . 1 1 57 57 PHE CZ C 13 129.574 0.3 . 1 . . . . 175 PHE CZ . 16185 1 469 . 1 1 57 57 PHE N N 15 121.923 0.3 . 1 . . . . 175 PHE N . 16185 1 470 . 1 1 58 58 VAL HA H 1 3.446 0.020 . 1 . . . . 176 VAL HA . 16185 1 471 . 1 1 58 58 VAL HB H 1 2.223 0.020 . 1 . . . . 176 VAL HB . 16185 1 472 . 1 1 58 58 VAL CA C 13 67.557 0.3 . 1 . . . . 176 VAL CA . 16185 1 473 . 1 1 58 58 VAL CB C 13 31.904 0.3 . 1 . . . . 176 VAL CB . 16185 1 474 . 1 1 58 58 VAL CG1 C 13 24.529 0.3 . 1 . . . . 176 VAL CG1 . 16185 1 475 . 1 1 58 58 VAL CG2 C 13 21.722 0.3 . 1 . . . . 176 VAL CG2 . 16185 1 476 . 1 1 58 58 VAL N N 15 120.437 0.3 . 1 . . . . 176 VAL N . 16185 1 477 . 1 1 59 59 HIS HA H 1 4.317 0.020 . 1 . . . . 177 HIS HA . 16185 1 478 . 1 1 59 59 HIS HB2 H 1 3.393 0.020 . 2 . . . . 177 HIS HB2 . 16185 1 479 . 1 1 59 59 HIS HB3 H 1 3.356 0.020 . 2 . . . . 177 HIS HB3 . 16185 1 480 . 1 1 59 59 HIS HD2 H 1 7.403 0.020 . 1 . . . . 177 HIS HD2 . 16185 1 481 . 1 1 59 59 HIS HE1 H 1 8.659 0.020 . 1 . . . . 177 HIS HE1 . 16185 1 482 . 1 1 59 59 HIS CA C 13 59.185 0.3 . 1 . . . . 177 HIS CA . 16185 1 483 . 1 1 59 59 HIS CB C 13 28.342 0.3 . 1 . . . . 177 HIS CB . 16185 1 484 . 1 1 59 59 HIS CD2 C 13 120.589 0.3 . 1 . . . . 177 HIS CD2 . 16185 1 485 . 1 1 59 59 HIS CE1 C 13 136.719 0.3 . 1 . . . . 177 HIS CE1 . 16185 1 486 . 1 1 59 59 HIS N N 15 116.640 0.3 . 1 . . . . 177 HIS N . 16185 1 487 . 1 1 60 60 ASP HA H 1 4.605 0.020 . 1 . . . . 178 ASP HA . 16185 1 488 . 1 1 60 60 ASP HB2 H 1 2.982 0.020 . 2 . . . . 178 ASP HB2 . 16185 1 489 . 1 1 60 60 ASP HB3 H 1 2.964 0.020 . 2 . . . . 178 ASP HB3 . 16185 1 490 . 1 1 60 60 ASP CA C 13 57.094 0.3 . 1 . . . . 178 ASP CA . 16185 1 491 . 1 1 60 60 ASP CB C 13 40.899 0.3 . 1 . . . . 178 ASP CB . 16185 1 492 . 1 1 60 60 ASP N N 15 118.381 0.3 . 1 . . . . 178 ASP N . 16185 1 493 . 1 1 61 61 CYS HA H 1 4.705 0.020 . 1 . . . . 179 CYS HA . 16185 1 494 . 1 1 61 61 CYS HB2 H 1 3.235 0.020 . 2 . . . . 179 CYS HB2 . 16185 1 495 . 1 1 61 61 CYS HB3 H 1 2.880 0.020 . 2 . . . . 179 CYS HB3 . 16185 1 496 . 1 1 61 61 CYS CA C 13 58.716 0.3 . 1 . . . . 179 CYS CA . 16185 1 497 . 1 1 61 61 CYS CB C 13 40.781 0.3 . 1 . . . . 179 CYS CB . 16185 1 498 . 1 1 61 61 CYS N N 15 119.690 0.3 . 1 . . . . 179 CYS N . 16185 1 499 . 1 1 62 62 VAL HA H 1 3.665 0.020 . 1 . . . . 180 VAL HA . 16185 1 500 . 1 1 62 62 VAL HB H 1 2.169 0.020 . 1 . . . . 180 VAL HB . 16185 1 501 . 1 1 62 62 VAL CA C 13 66.138 0.3 . 1 . . . . 180 VAL CA . 16185 1 502 . 1 1 62 62 VAL CB C 13 31.959 0.3 . 1 . . . . 180 VAL CB . 16185 1 503 . 1 1 62 62 VAL CG1 C 13 23.649 0.3 . 1 . . . . 180 VAL CG1 . 16185 1 504 . 1 1 62 62 VAL CG2 C 13 21.662 0.3 . 1 . . . . 180 VAL CG2 . 16185 1 505 . 1 1 62 62 VAL N N 15 124.578 0.3 . 1 . . . . 180 VAL N . 16185 1 506 . 1 1 63 63 ASN HA H 1 4.339 0.020 . 1 . . . . 181 ASN HA . 16185 1 507 . 1 1 63 63 ASN HB2 H 1 2.897 0.020 . 2 . . . . 181 ASN HB2 . 16185 1 508 . 1 1 63 63 ASN HB3 H 1 2.809 0.020 . 2 . . . . 181 ASN HB3 . 16185 1 509 . 1 1 63 63 ASN HD21 H 1 7.692 0.020 . 1 . . . . 181 ASN HD21 . 16185 1 510 . 1 1 63 63 ASN HD22 H 1 6.812 0.020 . 1 . . . . 181 ASN HD22 . 16185 1 511 . 1 1 63 63 ASN CA C 13 56.604 0.3 . 1 . . . . 181 ASN CA . 16185 1 512 . 1 1 63 63 ASN CB C 13 38.699 0.3 . 1 . . . . 181 ASN CB . 16185 1 513 . 1 1 63 63 ASN N N 15 116.528 0.3 . 1 . . . . 181 ASN N . 16185 1 514 . 1 1 63 63 ASN ND2 N 15 112.033 0.3 . 1 . . . . 181 ASN ND2 . 16185 1 515 . 1 1 64 64 ILE HA H 1 3.745 0.020 . 1 . . . . 182 ILE HA . 16185 1 516 . 1 1 64 64 ILE HB H 1 1.584 0.020 . 1 . . . . 182 ILE HB . 16185 1 517 . 1 1 64 64 ILE CA C 13 62.340 0.3 . 1 . . . . 182 ILE CA . 16185 1 518 . 1 1 64 64 ILE CB C 13 36.545 0.3 . 1 . . . . 182 ILE CB . 16185 1 519 . 1 1 64 64 ILE CD1 C 13 11.421 0.3 . 1 . . . . 182 ILE CD1 . 16185 1 520 . 1 1 64 64 ILE CG1 C 13 27.548 0.3 . 1 . . . . 182 ILE CG1 . 16185 1 521 . 1 1 64 64 ILE CG2 C 13 18.300 0.3 . 1 . . . . 182 ILE CG2 . 16185 1 522 . 1 1 64 64 ILE N N 15 118.906 0.3 . 1 . . . . 182 ILE N . 16185 1 523 . 1 1 65 65 THR HA H 1 4.070 0.020 . 1 . . . . 183 THR HA . 16185 1 524 . 1 1 65 65 THR HB H 1 4.514 0.020 . 1 . . . . 183 THR HB . 16185 1 525 . 1 1 65 65 THR HG1 H 1 6.385 0.020 . 1 . . . . 183 THR HG1 . 16185 1 526 . 1 1 65 65 THR CA C 13 68.804 0.3 . 1 . . . . 183 THR CA . 16185 1 527 . 1 1 65 65 THR CB C 13 68.242 0.3 . 1 . . . . 183 THR CB . 16185 1 528 . 1 1 65 65 THR CG2 C 13 22.291 0.3 . 1 . . . . 183 THR CG2 . 16185 1 529 . 1 1 65 65 THR N N 15 118.241 0.3 . 1 . . . . 183 THR N . 16185 1 530 . 1 1 66 66 ILE HA H 1 3.750 0.020 . 1 . . . . 184 ILE HA . 16185 1 531 . 1 1 66 66 ILE HB H 1 2.127 0.020 . 1 . . . . 184 ILE HB . 16185 1 532 . 1 1 66 66 ILE HG12 H 1 1.820 0.020 . 2 . . . . 184 ILE HG12 . 16185 1 533 . 1 1 66 66 ILE HG13 H 1 1.290 0.020 . 2 . . . . 184 ILE HG13 . 16185 1 534 . 1 1 66 66 ILE CA C 13 65.495 0.3 . 1 . . . . 184 ILE CA . 16185 1 535 . 1 1 66 66 ILE CB C 13 36.611 0.3 . 1 . . . . 184 ILE CB . 16185 1 536 . 1 1 66 66 ILE CD1 C 13 12.735 0.3 . 1 . . . . 184 ILE CD1 . 16185 1 537 . 1 1 66 66 ILE CG1 C 13 29.592 0.3 . 1 . . . . 184 ILE CG1 . 16185 1 538 . 1 1 66 66 ILE CG2 C 13 16.837 0.3 . 1 . . . . 184 ILE CG2 . 16185 1 539 . 1 1 66 66 ILE N N 15 120.940 0.3 . 1 . . . . 184 ILE N . 16185 1 540 . 1 1 67 67 LYS HA H 1 4.078 0.020 . 1 . . . . 185 LYS HA . 16185 1 541 . 1 1 67 67 LYS HG2 H 1 1.505 0.020 . 2 . . . . 185 LYS HG2 . 16185 1 542 . 1 1 67 67 LYS HG3 H 1 1.404 0.020 . 2 . . . . 185 LYS HG3 . 16185 1 543 . 1 1 67 67 LYS CA C 13 59.906 0.3 . 1 . . . . 185 LYS CA . 16185 1 544 . 1 1 67 67 LYS CB C 13 32.183 0.3 . 1 . . . . 185 LYS CB . 16185 1 545 . 1 1 67 67 LYS CD C 13 29.189 0.3 . 1 . . . . 185 LYS CD . 16185 1 546 . 1 1 67 67 LYS CE C 13 41.992 0.3 . 1 . . . . 185 LYS CE . 16185 1 547 . 1 1 67 67 LYS CG C 13 25.075 0.3 . 1 . . . . 185 LYS CG . 16185 1 548 . 1 1 67 67 LYS N N 15 122.672 0.3 . 1 . . . . 185 LYS N . 16185 1 549 . 1 1 68 68 GLN HA H 1 4.047 0.020 . 1 . . . . 186 GLN HA . 16185 1 550 . 1 1 68 68 GLN HB2 H 1 1.982 0.020 . 2 . . . . 186 GLN HB2 . 16185 1 551 . 1 1 68 68 GLN HB3 H 1 1.874 0.020 . 2 . . . . 186 GLN HB3 . 16185 1 552 . 1 1 68 68 GLN HE21 H 1 6.765 0.020 . 1 . . . . 186 GLN HE21 . 16185 1 553 . 1 1 68 68 GLN HE22 H 1 6.748 0.020 . 1 . . . . 186 GLN HE22 . 16185 1 554 . 1 1 68 68 GLN HG2 H 1 2.098 0.020 . 2 . . . . 186 GLN HG2 . 16185 1 555 . 1 1 68 68 GLN HG3 H 1 1.508 0.020 . 2 . . . . 186 GLN HG3 . 16185 1 556 . 1 1 68 68 GLN CA C 13 57.454 0.3 . 1 . . . . 186 GLN CA . 16185 1 557 . 1 1 68 68 GLN CB C 13 28.202 0.3 . 1 . . . . 186 GLN CB . 16185 1 558 . 1 1 68 68 GLN CG C 13 33.375 0.3 . 1 . . . . 186 GLN CG . 16185 1 559 . 1 1 68 68 GLN N N 15 116.197 0.3 . 1 . . . . 186 GLN N . 16185 1 560 . 1 1 68 68 GLN NE2 N 15 110.263 0.3 . 1 . . . . 186 GLN NE2 . 16185 1 561 . 1 1 69 69 HIS HA H 1 4.625 0.020 . 1 . . . . 187 HIS HA . 16185 1 562 . 1 1 69 69 HIS HB2 H 1 3.387 0.020 . 2 . . . . 187 HIS HB2 . 16185 1 563 . 1 1 69 69 HIS HB3 H 1 3.326 0.020 . 2 . . . . 187 HIS HB3 . 16185 1 564 . 1 1 69 69 HIS HD2 H 1 7.350 0.020 . 1 . . . . 187 HIS HD2 . 16185 1 565 . 1 1 69 69 HIS HE1 H 1 8.277 0.020 . 1 . . . . 187 HIS HE1 . 16185 1 566 . 1 1 69 69 HIS CA C 13 58.347 0.3 . 1 . . . . 187 HIS CA . 16185 1 567 . 1 1 69 69 HIS CB C 13 29.783 0.3 . 1 . . . . 187 HIS CB . 16185 1 568 . 1 1 69 69 HIS CD2 C 13 119.651 0.3 . 1 . . . . 187 HIS CD2 . 16185 1 569 . 1 1 69 69 HIS CE1 C 13 138.177 0.3 . 1 . . . . 187 HIS CE1 . 16185 1 570 . 1 1 69 69 HIS N N 15 117.465 0.3 . 1 . . . . 187 HIS N . 16185 1 571 . 1 1 70 70 THR HA H 1 4.265 0.020 . 1 . . . . 188 THR HA . 16185 1 572 . 1 1 70 70 THR HB H 1 4.426 0.020 . 1 . . . . 188 THR HB . 16185 1 573 . 1 1 70 70 THR CA C 13 64.604 0.3 . 1 . . . . 188 THR CA . 16185 1 574 . 1 1 70 70 THR CB C 13 69.372 0.3 . 1 . . . . 188 THR CB . 16185 1 575 . 1 1 70 70 THR CG2 C 13 21.528 0.3 . 1 . . . . 188 THR CG2 . 16185 1 576 . 1 1 70 70 THR N N 15 113.935 0.3 . 1 . . . . 188 THR N . 16185 1 577 . 1 1 71 71 VAL HA H 1 4.064 0.020 . 1 . . . . 189 VAL HA . 16185 1 578 . 1 1 71 71 VAL HB H 1 2.226 0.020 . 1 . . . . 189 VAL HB . 16185 1 579 . 1 1 71 71 VAL CA C 13 64.476 0.3 . 1 . . . . 189 VAL CA . 16185 1 580 . 1 1 71 71 VAL CB C 13 32.155 0.3 . 1 . . . . 189 VAL CB . 16185 1 581 . 1 1 71 71 VAL CG1 C 13 21.324 0.3 . 1 . . . . 189 VAL CG1 . 16185 1 582 . 1 1 71 71 VAL CG2 C 13 21.066 0.3 . 1 . . . . 189 VAL CG2 . 16185 1 583 . 1 1 71 71 VAL N N 15 121.862 0.3 . 1 . . . . 189 VAL N . 16185 1 584 . 1 1 72 72 THR HA H 1 4.303 0.020 . 1 . . . . 190 THR HA . 16185 1 585 . 1 1 72 72 THR HB H 1 4.298 0.020 . 1 . . . . 190 THR HB . 16185 1 586 . 1 1 72 72 THR CA C 13 63.584 0.3 . 1 . . . . 190 THR CA . 16185 1 587 . 1 1 72 72 THR CB C 13 69.401 0.3 . 1 . . . . 190 THR CB . 16185 1 588 . 1 1 72 72 THR CG2 C 13 21.671 0.3 . 1 . . . . 190 THR CG2 . 16185 1 589 . 1 1 72 72 THR N N 15 115.351 0.3 . 1 . . . . 190 THR N . 16185 1 590 . 1 1 73 73 THR HA H 1 4.292 0.020 . 1 . . . . 191 THR HA . 16185 1 591 . 1 1 73 73 THR HB H 1 4.217 0.020 . 1 . . . . 191 THR HB . 16185 1 592 . 1 1 73 73 THR CA C 13 63.437 0.3 . 1 . . . . 191 THR CA . 16185 1 593 . 1 1 73 73 THR CB C 13 69.212 0.3 . 1 . . . . 191 THR CB . 16185 1 594 . 1 1 73 73 THR CG2 C 13 21.512 0.3 . 1 . . . . 191 THR CG2 . 16185 1 595 . 1 1 73 73 THR N N 15 115.107 0.3 . 1 . . . . 191 THR N . 16185 1 596 . 1 1 74 74 THR HA H 1 4.410 0.020 . 1 . . . . 192 THR HA . 16185 1 597 . 1 1 74 74 THR HB H 1 4.387 0.020 . 1 . . . . 192 THR HB . 16185 1 598 . 1 1 74 74 THR CA C 13 63.536 0.3 . 1 . . . . 192 THR CA . 16185 1 599 . 1 1 74 74 THR CB C 13 69.385 0.3 . 1 . . . . 192 THR CB . 16185 1 600 . 1 1 74 74 THR CG2 C 13 21.563 0.3 . 1 . . . . 192 THR CG2 . 16185 1 601 . 1 1 74 74 THR N N 15 116.247 0.3 . 1 . . . . 192 THR N . 16185 1 602 . 1 1 75 75 THR HA H 1 4.282 0.020 . 1 . . . . 193 THR HA . 16185 1 603 . 1 1 75 75 THR HB H 1 4.294 0.020 . 1 . . . . 193 THR HB . 16185 1 604 . 1 1 75 75 THR CA C 13 63.397 0.3 . 1 . . . . 193 THR CA . 16185 1 605 . 1 1 75 75 THR CB C 13 69.310 0.3 . 1 . . . . 193 THR CB . 16185 1 606 . 1 1 75 75 THR CG2 C 13 21.711 0.3 . 1 . . . . 193 THR CG2 . 16185 1 607 . 1 1 75 75 THR N N 15 116.195 0.3 . 1 . . . . 193 THR N . 16185 1 608 . 1 1 76 76 LYS HA H 1 4.342 0.020 . 1 . . . . 194 LYS HA . 16185 1 609 . 1 1 76 76 LYS HB2 H 1 1.941 0.020 . 2 . . . . 194 LYS HB2 . 16185 1 610 . 1 1 76 76 LYS HB3 H 1 1.830 0.020 . 2 . . . . 194 LYS HB3 . 16185 1 611 . 1 1 76 76 LYS HG2 H 1 1.512 0.020 . 2 . . . . 194 LYS HG2 . 16185 1 612 . 1 1 76 76 LYS HG3 H 1 1.453 0.020 . 2 . . . . 194 LYS HG3 . 16185 1 613 . 1 1 76 76 LYS CA C 13 56.634 0.3 . 1 . . . . 194 LYS CA . 16185 1 614 . 1 1 76 76 LYS CB C 13 32.514 0.3 . 1 . . . . 194 LYS CB . 16185 1 615 . 1 1 76 76 LYS CD C 13 29.122 0.3 . 1 . . . . 194 LYS CD . 16185 1 616 . 1 1 76 76 LYS CE C 13 42.073 0.3 . 1 . . . . 194 LYS CE . 16185 1 617 . 1 1 76 76 LYS CG C 13 24.822 0.3 . 1 . . . . 194 LYS CG . 16185 1 618 . 1 1 76 76 LYS N N 15 121.697 0.3 . 1 . . . . 194 LYS N . 16185 1 619 . 1 1 77 77 GLY HA2 H 1 4.054 0.020 . 1 . . . . 195 GLY HA2 . 16185 1 620 . 1 1 77 77 GLY CA C 13 45.452 0.3 . 1 . . . . 195 GLY CA . 16185 1 621 . 1 1 77 77 GLY N N 15 109.391 0.3 . 1 . . . . 195 GLY N . 16185 1 622 . 1 1 78 78 GLU HA H 1 4.277 0.020 . 1 . . . . 196 GLU HA . 16185 1 623 . 1 1 78 78 GLU HG2 H 1 2.181 0.020 . 2 . . . . 196 GLU HG2 . 16185 1 624 . 1 1 78 78 GLU HG3 H 1 2.169 0.020 . 2 . . . . 196 GLU HG3 . 16185 1 625 . 1 1 78 78 GLU CA C 13 55.760 0.3 . 1 . . . . 196 GLU CA . 16185 1 626 . 1 1 78 78 GLU CB C 13 30.347 0.3 . 1 . . . . 196 GLU CB . 16185 1 627 . 1 1 78 78 GLU CG C 13 35.254 0.3 . 1 . . . . 196 GLU CG . 16185 1 628 . 1 1 78 78 GLU N N 15 120.005 0.3 . 1 . . . . 196 GLU N . 16185 1 629 . 1 1 79 79 ASN HA H 1 4.681 0.020 . 1 . . . . 197 ASN HA . 16185 1 630 . 1 1 79 79 ASN HB2 H 1 2.753 0.020 . 2 . . . . 197 ASN HB2 . 16185 1 631 . 1 1 79 79 ASN HB3 H 1 2.664 0.020 . 2 . . . . 197 ASN HB3 . 16185 1 632 . 1 1 79 79 ASN HD21 H 1 7.592 0.020 . 1 . . . . 197 ASN HD21 . 16185 1 633 . 1 1 79 79 ASN HD22 H 1 6.887 0.020 . 1 . . . . 197 ASN HD22 . 16185 1 634 . 1 1 79 79 ASN CA C 13 52.972 0.3 . 1 . . . . 197 ASN CA . 16185 1 635 . 1 1 79 79 ASN CB C 13 39.686 0.3 . 1 . . . . 197 ASN CB . 16185 1 636 . 1 1 79 79 ASN N N 15 120.031 0.3 . 1 . . . . 197 ASN N . 16185 1 637 . 1 1 79 79 ASN ND2 N 15 113.155 0.3 . 1 . . . . 197 ASN ND2 . 16185 1 638 . 1 1 80 80 PHE HA H 1 5.264 0.020 . 1 . . . . 198 PHE HA . 16185 1 639 . 1 1 80 80 PHE HB2 H 1 3.211 0.020 . 2 . . . . 198 PHE HB2 . 16185 1 640 . 1 1 80 80 PHE HB3 H 1 3.031 0.020 . 2 . . . . 198 PHE HB3 . 16185 1 641 . 1 1 80 80 PHE CA C 13 56.809 0.3 . 1 . . . . 198 PHE CA . 16185 1 642 . 1 1 80 80 PHE CB C 13 39.901 0.3 . 1 . . . . 198 PHE CB . 16185 1 643 . 1 1 80 80 PHE CD1 C 13 131.826 0.3 . 1 . . . . 198 PHE CD1 . 16185 1 644 . 1 1 80 80 PHE CE1 C 13 130.278 0.3 . 1 . . . . 198 PHE CE1 . 16185 1 645 . 1 1 80 80 PHE N N 15 122.119 0.3 . 1 . . . . 198 PHE N . 16185 1 646 . 1 1 81 81 THR HA H 1 4.640 0.020 . 1 . . . . 199 THR HA . 16185 1 647 . 1 1 81 81 THR HB H 1 4.860 0.020 . 1 . . . . 199 THR HB . 16185 1 648 . 1 1 81 81 THR CA C 13 60.670 0.3 . 1 . . . . 199 THR CA . 16185 1 649 . 1 1 81 81 THR CB C 13 72.105 0.3 . 1 . . . . 199 THR CB . 16185 1 650 . 1 1 81 81 THR CG2 C 13 21.727 0.3 . 1 . . . . 199 THR CG2 . 16185 1 651 . 1 1 81 81 THR N N 15 116.408 0.3 . 1 . . . . 199 THR N . 16185 1 652 . 1 1 82 82 GLU HA H 1 4.121 0.020 . 1 . . . . 200 GLU HA . 16185 1 653 . 1 1 82 82 GLU HB2 H 1 2.163 0.020 . 2 . . . . 200 GLU HB2 . 16185 1 654 . 1 1 82 82 GLU HB3 H 1 2.097 0.020 . 2 . . . . 200 GLU HB3 . 16185 1 655 . 1 1 82 82 GLU HG2 H 1 2.463 0.020 . 2 . . . . 200 GLU HG2 . 16185 1 656 . 1 1 82 82 GLU HG3 H 1 2.408 0.020 . 2 . . . . 200 GLU HG3 . 16185 1 657 . 1 1 82 82 GLU CA C 13 59.717 0.3 . 1 . . . . 200 GLU CA . 16185 1 658 . 1 1 82 82 GLU CB C 13 28.629 0.3 . 1 . . . . 200 GLU CB . 16185 1 659 . 1 1 82 82 GLU CG C 13 35.333 0.3 . 1 . . . . 200 GLU CG . 16185 1 660 . 1 1 82 82 GLU N N 15 119.941 0.3 . 1 . . . . 200 GLU N . 16185 1 661 . 1 1 83 83 THR HA H 1 3.834 0.020 . 1 . . . . 201 THR HA . 16185 1 662 . 1 1 83 83 THR HB H 1 3.791 0.020 . 1 . . . . 201 THR HB . 16185 1 663 . 1 1 83 83 THR CA C 13 66.849 0.3 . 1 . . . . 201 THR CA . 16185 1 664 . 1 1 83 83 THR CB C 13 68.658 0.3 . 1 . . . . 201 THR CB . 16185 1 665 . 1 1 83 83 THR CG2 C 13 21.378 0.3 . 1 . . . . 201 THR CG2 . 16185 1 666 . 1 1 83 83 THR N N 15 116.450 0.3 . 1 . . . . 201 THR N . 16185 1 667 . 1 1 84 84 ASP HA H 1 4.573 0.020 . 1 . . . . 202 ASP HA . 16185 1 668 . 1 1 84 84 ASP HB2 H 1 3.260 0.020 . 2 . . . . 202 ASP HB2 . 16185 1 669 . 1 1 84 84 ASP HB3 H 1 2.500 0.020 . 2 . . . . 202 ASP HB3 . 16185 1 670 . 1 1 84 84 ASP CA C 13 57.963 0.3 . 1 . . . . 202 ASP CA . 16185 1 671 . 1 1 84 84 ASP CB C 13 41.288 0.3 . 1 . . . . 202 ASP CB . 16185 1 672 . 1 1 84 84 ASP N N 15 120.246 0.3 . 1 . . . . 202 ASP N . 16185 1 673 . 1 1 85 85 VAL HA H 1 3.381 0.020 . 1 . . . . 203 VAL HA . 16185 1 674 . 1 1 85 85 VAL HB H 1 2.164 0.020 . 1 . . . . 203 VAL HB . 16185 1 675 . 1 1 85 85 VAL CA C 13 67.642 0.3 . 1 . . . . 203 VAL CA . 16185 1 676 . 1 1 85 85 VAL CB C 13 31.566 0.3 . 1 . . . . 203 VAL CB . 16185 1 677 . 1 1 85 85 VAL CG1 C 13 22.782 0.3 . 1 . . . . 203 VAL CG1 . 16185 1 678 . 1 1 85 85 VAL CG2 C 13 21.114 0.3 . 1 . . . . 203 VAL CG2 . 16185 1 679 . 1 1 85 85 VAL N N 15 119.815 0.3 . 1 . . . . 203 VAL N . 16185 1 680 . 1 1 86 86 LYS HA H 1 4.087 0.020 . 1 . . . . 204 LYS HA . 16185 1 681 . 1 1 86 86 LYS HB2 H 1 2.006 0.020 . 2 . . . . 204 LYS HB2 . 16185 1 682 . 1 1 86 86 LYS HB3 H 1 1.952 0.020 . 2 . . . . 204 LYS HB3 . 16185 1 683 . 1 1 86 86 LYS HG2 H 1 1.644 0.020 . 2 . . . . 204 LYS HG2 . 16185 1 684 . 1 1 86 86 LYS HG3 H 1 1.486 0.020 . 2 . . . . 204 LYS HG3 . 16185 1 685 . 1 1 86 86 LYS CA C 13 59.349 0.3 . 1 . . . . 204 LYS CA . 16185 1 686 . 1 1 86 86 LYS CB C 13 32.057 0.3 . 1 . . . . 204 LYS CB . 16185 1 687 . 1 1 86 86 LYS CD C 13 29.264 0.3 . 1 . . . . 204 LYS CD . 16185 1 688 . 1 1 86 86 LYS CE C 13 41.998 0.3 . 1 . . . . 204 LYS CE . 16185 1 689 . 1 1 86 86 LYS CG C 13 25.153 0.3 . 1 . . . . 204 LYS CG . 16185 1 690 . 1 1 86 86 LYS N N 15 119.299 0.3 . 1 . . . . 204 LYS N . 16185 1 691 . 1 1 87 87 MET HA H 1 4.156 0.020 . 1 . . . . 205 MET HA . 16185 1 692 . 1 1 87 87 MET HB2 H 1 2.323 0.020 . 2 . . . . 205 MET HB2 . 16185 1 693 . 1 1 87 87 MET HB3 H 1 1.916 0.020 . 2 . . . . 205 MET HB3 . 16185 1 694 . 1 1 87 87 MET HG2 H 1 3.030 0.020 . 2 . . . . 205 MET HG2 . 16185 1 695 . 1 1 87 87 MET HG3 H 1 2.357 0.020 . 2 . . . . 205 MET HG3 . 16185 1 696 . 1 1 87 87 MET CA C 13 59.774 0.3 . 1 . . . . 205 MET CA . 16185 1 697 . 1 1 87 87 MET CB C 13 32.779 0.3 . 1 . . . . 205 MET CB . 16185 1 698 . 1 1 87 87 MET CE C 13 18.133 0.3 . 1 . . . . 205 MET CE . 16185 1 699 . 1 1 87 87 MET CG C 13 33.958 0.3 . 1 . . . . 205 MET CG . 16185 1 700 . 1 1 87 87 MET N N 15 118.804 0.3 . 1 . . . . 205 MET N . 16185 1 701 . 1 1 88 88 MET HA H 1 3.559 0.020 . 1 . . . . 206 MET HA . 16185 1 702 . 1 1 88 88 MET HB2 H 1 1.912 0.020 . 2 . . . . 206 MET HB2 . 16185 1 703 . 1 1 88 88 MET HB3 H 1 1.812 0.020 . 2 . . . . 206 MET HB3 . 16185 1 704 . 1 1 88 88 MET HG2 H 1 2.033 0.020 . 2 . . . . 206 MET HG2 . 16185 1 705 . 1 1 88 88 MET HG3 H 1 1.891 0.020 . 2 . . . . 206 MET HG3 . 16185 1 706 . 1 1 88 88 MET CA C 13 59.578 0.3 . 1 . . . . 206 MET CA . 16185 1 707 . 1 1 88 88 MET CB C 13 33.152 0.3 . 1 . . . . 206 MET CB . 16185 1 708 . 1 1 88 88 MET CE C 13 16.289 0.3 . 1 . . . . 206 MET CE . 16185 1 709 . 1 1 88 88 MET CG C 13 32.533 0.3 . 1 . . . . 206 MET CG . 16185 1 710 . 1 1 88 88 MET N N 15 118.390 0.3 . 1 . . . . 206 MET N . 16185 1 711 . 1 1 89 89 GLU HA H 1 3.702 0.020 . 1 . . . . 207 GLU HA . 16185 1 712 . 1 1 89 89 GLU HB2 H 1 2.237 0.020 . 2 . . . . 207 GLU HB2 . 16185 1 713 . 1 1 89 89 GLU HB3 H 1 2.107 0.020 . 2 . . . . 207 GLU HB3 . 16185 1 714 . 1 1 89 89 GLU HG2 H 1 2.582 0.020 . 2 . . . . 207 GLU HG2 . 16185 1 715 . 1 1 89 89 GLU HG3 H 1 2.257 0.020 . 2 . . . . 207 GLU HG3 . 16185 1 716 . 1 1 89 89 GLU CA C 13 60.500 0.3 . 1 . . . . 207 GLU CA . 16185 1 717 . 1 1 89 89 GLU CB C 13 27.981 0.3 . 1 . . . . 207 GLU CB . 16185 1 718 . 1 1 89 89 GLU CG C 13 34.935 0.3 . 1 . . . . 207 GLU CG . 16185 1 719 . 1 1 89 89 GLU N N 15 118.252 0.3 . 1 . . . . 207 GLU N . 16185 1 720 . 1 1 90 90 ARG HA H 1 4.171 0.020 . 1 . . . . 208 ARG HA . 16185 1 721 . 1 1 90 90 ARG HB2 H 1 2.093 0.020 . 2 . . . . 208 ARG HB2 . 16185 1 722 . 1 1 90 90 ARG HB3 H 1 1.924 0.020 . 2 . . . . 208 ARG HB3 . 16185 1 723 . 1 1 90 90 ARG HD2 H 1 3.230 0.020 . 2 . . . . 208 ARG HD2 . 16185 1 724 . 1 1 90 90 ARG HD3 H 1 3.146 0.020 . 2 . . . . 208 ARG HD3 . 16185 1 725 . 1 1 90 90 ARG HE H 1 7.315 0.020 . 1 . . . . 208 ARG HE . 16185 1 726 . 1 1 90 90 ARG HG2 H 1 1.804 0.020 . 2 . . . . 208 ARG HG2 . 16185 1 727 . 1 1 90 90 ARG HG3 H 1 1.759 0.020 . 2 . . . . 208 ARG HG3 . 16185 1 728 . 1 1 90 90 ARG CA C 13 58.356 0.3 . 1 . . . . 208 ARG CA . 16185 1 729 . 1 1 90 90 ARG CB C 13 29.758 0.3 . 1 . . . . 208 ARG CB . 16185 1 730 . 1 1 90 90 ARG CD C 13 42.401 0.3 . 1 . . . . 208 ARG CD . 16185 1 731 . 1 1 90 90 ARG CG C 13 26.827 0.3 . 1 . . . . 208 ARG CG . 16185 1 732 . 1 1 90 90 ARG N N 15 117.118 0.3 . 1 . . . . 208 ARG N . 16185 1 733 . 1 1 90 90 ARG NE N 15 83.222 0.3 . 1 . . . . 208 ARG NE . 16185 1 734 . 1 1 91 91 VAL HA H 1 3.725 0.020 . 1 . . . . 209 VAL HA . 16185 1 735 . 1 1 91 91 VAL HB H 1 2.323 0.020 . 1 . . . . 209 VAL HB . 16185 1 736 . 1 1 91 91 VAL CA C 13 66.072 0.3 . 1 . . . . 209 VAL CA . 16185 1 737 . 1 1 91 91 VAL CB C 13 32.346 0.3 . 1 . . . . 209 VAL CB . 16185 1 738 . 1 1 91 91 VAL CG1 C 13 24.145 0.3 . 1 . . . . 209 VAL CG1 . 16185 1 739 . 1 1 91 91 VAL CG2 C 13 21.055 0.3 . 1 . . . . 209 VAL CG2 . 16185 1 740 . 1 1 91 91 VAL N N 15 119.460 0.3 . 1 . . . . 209 VAL N . 16185 1 741 . 1 1 92 92 VAL HA H 1 3.634 0.020 . 1 . . . . 210 VAL HA . 16185 1 742 . 1 1 92 92 VAL HB H 1 2.263 0.020 . 1 . . . . 210 VAL HB . 16185 1 743 . 1 1 92 92 VAL CA C 13 66.557 0.3 . 1 . . . . 210 VAL CA . 16185 1 744 . 1 1 92 92 VAL CB C 13 31.311 0.3 . 1 . . . . 210 VAL CB . 16185 1 745 . 1 1 92 92 VAL CG1 C 13 24.491 0.3 . 1 . . . . 210 VAL CG1 . 16185 1 746 . 1 1 92 92 VAL CG2 C 13 24.083 0.3 . 1 . . . . 210 VAL CG2 . 16185 1 747 . 1 1 92 92 VAL N N 15 120.469 0.3 . 1 . . . . 210 VAL N . 16185 1 748 . 1 1 93 93 GLU HA H 1 3.604 0.020 . 1 . . . . 211 GLU HA . 16185 1 749 . 1 1 93 93 GLU HB2 H 1 2.238 0.020 . 2 . . . . 211 GLU HB2 . 16185 1 750 . 1 1 93 93 GLU HB3 H 1 2.141 0.020 . 2 . . . . 211 GLU HB3 . 16185 1 751 . 1 1 93 93 GLU HG2 H 1 2.276 0.020 . 2 . . . . 211 GLU HG2 . 16185 1 752 . 1 1 93 93 GLU HG3 H 1 2.197 0.020 . 2 . . . . 211 GLU HG3 . 16185 1 753 . 1 1 93 93 GLU CA C 13 61.036 0.3 . 1 . . . . 211 GLU CA . 16185 1 754 . 1 1 93 93 GLU CB C 13 28.541 0.3 . 1 . . . . 211 GLU CB . 16185 1 755 . 1 1 93 93 GLU CG C 13 35.291 0.3 . 1 . . . . 211 GLU CG . 16185 1 756 . 1 1 93 93 GLU N N 15 120.378 0.3 . 1 . . . . 211 GLU N . 16185 1 757 . 1 1 94 94 GLN HA H 1 3.994 0.020 . 1 . . . . 212 GLN HA . 16185 1 758 . 1 1 94 94 GLN HB2 H 1 2.164 0.020 . 2 . . . . 212 GLN HB2 . 16185 1 759 . 1 1 94 94 GLN HB3 H 1 2.140 0.020 . 2 . . . . 212 GLN HB3 . 16185 1 760 . 1 1 94 94 GLN HE21 H 1 7.433 0.020 . 1 . . . . 212 GLN HE21 . 16185 1 761 . 1 1 94 94 GLN HE22 H 1 6.821 0.020 . 1 . . . . 212 GLN HE22 . 16185 1 762 . 1 1 94 94 GLN HG2 H 1 2.472 0.020 . 2 . . . . 212 GLN HG2 . 16185 1 763 . 1 1 94 94 GLN HG3 H 1 2.409 0.020 . 2 . . . . 212 GLN HG3 . 16185 1 764 . 1 1 94 94 GLN CA C 13 59.111 0.3 . 1 . . . . 212 GLN CA . 16185 1 765 . 1 1 94 94 GLN CB C 13 27.917 0.3 . 1 . . . . 212 GLN CB . 16185 1 766 . 1 1 94 94 GLN CG C 13 33.983 0.3 . 1 . . . . 212 GLN CG . 16185 1 767 . 1 1 94 94 GLN N N 15 115.598 0.3 . 1 . . . . 212 GLN N . 16185 1 768 . 1 1 94 94 GLN NE2 N 15 111.848 0.3 . 1 . . . . 212 GLN NE2 . 16185 1 769 . 1 1 95 95 MET HA H 1 4.156 0.020 . 1 . . . . 213 MET HA . 16185 1 770 . 1 1 95 95 MET HB2 H 1 2.229 0.020 . 2 . . . . 213 MET HB2 . 16185 1 771 . 1 1 95 95 MET HB3 H 1 2.051 0.020 . 2 . . . . 213 MET HB3 . 16185 1 772 . 1 1 95 95 MET HG2 H 1 2.863 0.020 . 2 . . . . 213 MET HG2 . 16185 1 773 . 1 1 95 95 MET HG3 H 1 2.498 0.020 . 2 . . . . 213 MET HG3 . 16185 1 774 . 1 1 95 95 MET CA C 13 59.953 0.3 . 1 . . . . 213 MET CA . 16185 1 775 . 1 1 95 95 MET CB C 13 34.377 0.3 . 1 . . . . 213 MET CB . 16185 1 776 . 1 1 95 95 MET CE C 13 17.014 0.3 . 1 . . . . 213 MET CE . 16185 1 777 . 1 1 95 95 MET CG C 13 32.658 0.3 . 1 . . . . 213 MET CG . 16185 1 778 . 1 1 95 95 MET N N 15 119.411 0.3 . 1 . . . . 213 MET N . 16185 1 779 . 1 1 96 96 CYS HA H 1 4.424 0.020 . 1 . . . . 214 CYS HA . 16185 1 780 . 1 1 96 96 CYS HB2 H 1 3.555 0.020 . 2 . . . . 214 CYS HB2 . 16185 1 781 . 1 1 96 96 CYS HB3 H 1 2.881 0.020 . 2 . . . . 214 CYS HB3 . 16185 1 782 . 1 1 96 96 CYS CA C 13 59.914 0.3 . 1 . . . . 214 CYS CA . 16185 1 783 . 1 1 96 96 CYS CB C 13 41.747 0.3 . 1 . . . . 214 CYS CB . 16185 1 784 . 1 1 96 96 CYS N N 15 119.255 0.3 . 1 . . . . 214 CYS N . 16185 1 785 . 1 1 97 97 VAL HA H 1 3.441 0.020 . 1 . . . . 215 VAL HA . 16185 1 786 . 1 1 97 97 VAL HB H 1 2.316 0.020 . 1 . . . . 215 VAL HB . 16185 1 787 . 1 1 97 97 VAL CA C 13 67.689 0.3 . 1 . . . . 215 VAL CA . 16185 1 788 . 1 1 97 97 VAL CB C 13 31.486 0.3 . 1 . . . . 215 VAL CB . 16185 1 789 . 1 1 97 97 VAL CG1 C 13 23.767 0.3 . 1 . . . . 215 VAL CG1 . 16185 1 790 . 1 1 97 97 VAL CG2 C 13 21.207 0.3 . 1 . . . . 215 VAL CG2 . 16185 1 791 . 1 1 97 97 VAL N N 15 123.297 0.3 . 1 . . . . 215 VAL N . 16185 1 792 . 1 1 98 98 THR HA H 1 3.879 0.020 . 1 . . . . 216 THR HA . 16185 1 793 . 1 1 98 98 THR HB H 1 4.309 0.020 . 1 . . . . 216 THR HB . 16185 1 794 . 1 1 98 98 THR CA C 13 66.949 0.3 . 1 . . . . 216 THR CA . 16185 1 795 . 1 1 98 98 THR CB C 13 68.296 0.3 . 1 . . . . 216 THR CB . 16185 1 796 . 1 1 98 98 THR CG2 C 13 22.299 0.3 . 1 . . . . 216 THR CG2 . 16185 1 797 . 1 1 98 98 THR N N 15 117.808 0.3 . 1 . . . . 216 THR N . 16185 1 798 . 1 1 99 99 GLN HA H 1 3.639 0.020 . 1 . . . . 217 GLN HA . 16185 1 799 . 1 1 99 99 GLN HB2 H 1 2.312 0.020 . 2 . . . . 217 GLN HB2 . 16185 1 800 . 1 1 99 99 GLN HB3 H 1 2.103 0.020 . 2 . . . . 217 GLN HB3 . 16185 1 801 . 1 1 99 99 GLN HE21 H 1 7.176 0.020 . 1 . . . . 217 GLN HE21 . 16185 1 802 . 1 1 99 99 GLN HE22 H 1 6.762 0.020 . 1 . . . . 217 GLN HE22 . 16185 1 803 . 1 1 99 99 GLN HG2 H 1 1.649 0.020 . 2 . . . . 217 GLN HG2 . 16185 1 804 . 1 1 99 99 GLN HG3 H 1 1.631 0.020 . 2 . . . . 217 GLN HG3 . 16185 1 805 . 1 1 99 99 GLN CA C 13 58.516 0.3 . 1 . . . . 217 GLN CA . 16185 1 806 . 1 1 99 99 GLN CB C 13 28.194 0.3 . 1 . . . . 217 GLN CB . 16185 1 807 . 1 1 99 99 GLN CG C 13 32.451 0.3 . 1 . . . . 217 GLN CG . 16185 1 808 . 1 1 99 99 GLN N N 15 122.213 0.3 . 1 . . . . 217 GLN N . 16185 1 809 . 1 1 99 99 GLN NE2 N 15 114.619 0.3 . 1 . . . . 217 GLN NE2 . 16185 1 810 . 1 1 100 100 TYR HA H 1 2.951 0.020 . 1 . . . . 218 TYR HA . 16185 1 811 . 1 1 100 100 TYR HB2 H 1 2.944 0.020 . 2 . . . . 218 TYR HB2 . 16185 1 812 . 1 1 100 100 TYR HB3 H 1 2.667 0.020 . 2 . . . . 218 TYR HB3 . 16185 1 813 . 1 1 100 100 TYR CA C 13 62.196 0.3 . 1 . . . . 218 TYR CA . 16185 1 814 . 1 1 100 100 TYR CB C 13 37.177 0.3 . 1 . . . . 218 TYR CB . 16185 1 815 . 1 1 100 100 TYR CD1 C 13 132.984 0.3 . 1 . . . . 218 TYR CD1 . 16185 1 816 . 1 1 100 100 TYR CE1 C 13 117.912 0.3 . 1 . . . . 218 TYR CE1 . 16185 1 817 . 1 1 100 100 TYR N N 15 120.135 0.3 . 1 . . . . 218 TYR N . 16185 1 818 . 1 1 101 101 GLN HA H 1 3.725 0.020 . 1 . . . . 219 GLN HA . 16185 1 819 . 1 1 101 101 GLN HB2 H 1 2.273 0.020 . 2 . . . . 219 GLN HB2 . 16185 1 820 . 1 1 101 101 GLN HB3 H 1 2.055 0.020 . 2 . . . . 219 GLN HB3 . 16185 1 821 . 1 1 101 101 GLN HE21 H 1 7.463 0.020 . 1 . . . . 219 GLN HE21 . 16185 1 822 . 1 1 101 101 GLN HE22 H 1 6.820 0.020 . 1 . . . . 219 GLN HE22 . 16185 1 823 . 1 1 101 101 GLN HG2 H 1 2.690 0.020 . 2 . . . . 219 GLN HG2 . 16185 1 824 . 1 1 101 101 GLN HG3 H 1 2.436 0.020 . 2 . . . . 219 GLN HG3 . 16185 1 825 . 1 1 101 101 GLN CA C 13 58.680 0.3 . 1 . . . . 219 GLN CA . 16185 1 826 . 1 1 101 101 GLN CB C 13 27.479 0.3 . 1 . . . . 219 GLN CB . 16185 1 827 . 1 1 101 101 GLN CG C 13 33.861 0.3 . 1 . . . . 219 GLN CG . 16185 1 828 . 1 1 101 101 GLN N N 15 118.754 0.3 . 1 . . . . 219 GLN N . 16185 1 829 . 1 1 101 101 GLN NE2 N 15 111.056 0.3 . 1 . . . . 219 GLN NE2 . 16185 1 830 . 1 1 102 102 LYS HA H 1 3.994 0.020 . 1 . . . . 220 LYS HA . 16185 1 831 . 1 1 102 102 LYS HB2 H 1 1.873 0.020 . 2 . . . . 220 LYS HB2 . 16185 1 832 . 1 1 102 102 LYS HB3 H 1 1.828 0.020 . 2 . . . . 220 LYS HB3 . 16185 1 833 . 1 1 102 102 LYS HG2 H 1 1.532 0.020 . 2 . . . . 220 LYS HG2 . 16185 1 834 . 1 1 102 102 LYS HG3 H 1 1.360 0.020 . 2 . . . . 220 LYS HG3 . 16185 1 835 . 1 1 102 102 LYS CA C 13 58.960 0.3 . 1 . . . . 220 LYS CA . 16185 1 836 . 1 1 102 102 LYS CB C 13 32.341 0.3 . 1 . . . . 220 LYS CB . 16185 1 837 . 1 1 102 102 LYS CD C 13 29.390 0.3 . 1 . . . . 220 LYS CD . 16185 1 838 . 1 1 102 102 LYS CE C 13 41.921 0.3 . 1 . . . . 220 LYS CE . 16185 1 839 . 1 1 102 102 LYS CG C 13 25.025 0.3 . 1 . . . . 220 LYS CG . 16185 1 840 . 1 1 102 102 LYS N N 15 118.918 0.3 . 1 . . . . 220 LYS N . 16185 1 841 . 1 1 103 103 GLU HA H 1 4.091 0.020 . 1 . . . . 221 GLU HA . 16185 1 842 . 1 1 103 103 GLU HB2 H 1 2.164 0.020 . 2 . . . . 221 GLU HB2 . 16185 1 843 . 1 1 103 103 GLU HB3 H 1 1.645 0.020 . 2 . . . . 221 GLU HB3 . 16185 1 844 . 1 1 103 103 GLU HG2 H 1 2.465 0.020 . 2 . . . . 221 GLU HG2 . 16185 1 845 . 1 1 103 103 GLU HG3 H 1 2.202 0.020 . 2 . . . . 221 GLU HG3 . 16185 1 846 . 1 1 103 103 GLU CA C 13 57.251 0.3 . 1 . . . . 221 GLU CA . 16185 1 847 . 1 1 103 103 GLU CB C 13 29.521 0.3 . 1 . . . . 221 GLU CB . 16185 1 848 . 1 1 103 103 GLU CG C 13 35.582 0.3 . 1 . . . . 221 GLU CG . 16185 1 849 . 1 1 103 103 GLU N N 15 117.579 0.3 . 1 . . . . 221 GLU N . 16185 1 850 . 1 1 104 104 SER HA H 1 4.052 0.020 . 1 . . . . 222 SER HA . 16185 1 851 . 1 1 104 104 SER HB2 H 1 3.606 0.020 . 2 . . . . 222 SER HB2 . 16185 1 852 . 1 1 104 104 SER HB3 H 1 3.347 0.020 . 2 . . . . 222 SER HB3 . 16185 1 853 . 1 1 104 104 SER CA C 13 59.847 0.3 . 1 . . . . 222 SER CA . 16185 1 854 . 1 1 104 104 SER CB C 13 63.033 0.3 . 1 . . . . 222 SER CB . 16185 1 855 . 1 1 104 104 SER N N 15 114.200 0.3 . 1 . . . . 222 SER N . 16185 1 856 . 1 1 105 105 GLN HA H 1 4.156 0.020 . 1 . . . . 223 GLN HA . 16185 1 857 . 1 1 105 105 GLN HB2 H 1 2.099 0.020 . 2 . . . . 223 GLN HB2 . 16185 1 858 . 1 1 105 105 GLN HB3 H 1 2.057 0.020 . 2 . . . . 223 GLN HB3 . 16185 1 859 . 1 1 105 105 GLN HE21 H 1 7.572 0.020 . 1 . . . . 223 GLN HE21 . 16185 1 860 . 1 1 105 105 GLN HE22 H 1 6.833 0.020 . 1 . . . . 223 GLN HE22 . 16185 1 861 . 1 1 105 105 GLN HG2 H 1 2.424 0.020 . 2 . . . . 223 GLN HG2 . 16185 1 862 . 1 1 105 105 GLN HG3 H 1 2.374 0.020 . 2 . . . . 223 GLN HG3 . 16185 1 863 . 1 1 105 105 GLN CA C 13 56.959 0.3 . 1 . . . . 223 GLN CA . 16185 1 864 . 1 1 105 105 GLN CB C 13 28.649 0.3 . 1 . . . . 223 GLN CB . 16185 1 865 . 1 1 105 105 GLN CG C 13 33.762 0.3 . 1 . . . . 223 GLN CG . 16185 1 866 . 1 1 105 105 GLN N N 15 120.823 0.3 . 1 . . . . 223 GLN N . 16185 1 867 . 1 1 105 105 GLN NE2 N 15 112.560 0.3 . 1 . . . . 223 GLN NE2 . 16185 1 868 . 1 1 106 106 ALA HA H 1 4.211 0.020 . 1 . . . . 224 ALA HA . 16185 1 869 . 1 1 106 106 ALA CA C 13 53.372 0.3 . 1 . . . . 224 ALA CA . 16185 1 870 . 1 1 106 106 ALA CB C 13 18.636 0.3 . 1 . . . . 224 ALA CB . 16185 1 871 . 1 1 106 106 ALA N N 15 122.214 0.3 . 1 . . . . 224 ALA N . 16185 1 872 . 1 1 107 107 TYR HA H 1 4.414 0.020 . 1 . . . . 225 TYR HA . 16185 1 873 . 1 1 107 107 TYR CA C 13 58.663 0.3 . 1 . . . . 225 TYR CA . 16185 1 874 . 1 1 107 107 TYR CB C 13 38.593 0.3 . 1 . . . . 225 TYR CB . 16185 1 875 . 1 1 107 107 TYR CD1 C 13 133.487 0.3 . 1 . . . . 225 TYR CD1 . 16185 1 876 . 1 1 107 107 TYR CE1 C 13 118.444 0.3 . 1 . . . . 225 TYR CE1 . 16185 1 877 . 1 1 107 107 TYR N N 15 118.496 0.3 . 1 . . . . 225 TYR N . 16185 1 878 . 1 1 108 108 TYR HA H 1 4.401 0.020 . 1 . . . . 226 TYR HA . 16185 1 879 . 1 1 108 108 TYR HB2 H 1 3.067 0.020 . 2 . . . . 226 TYR HB2 . 16185 1 880 . 1 1 108 108 TYR HB3 H 1 2.964 0.020 . 2 . . . . 226 TYR HB3 . 16185 1 881 . 1 1 108 108 TYR CA C 13 58.762 0.3 . 1 . . . . 226 TYR CA . 16185 1 882 . 1 1 108 108 TYR CB C 13 38.614 0.3 . 1 . . . . 226 TYR CB . 16185 1 883 . 1 1 108 108 TYR CD1 C 13 133.646 0.3 . 1 . . . . 226 TYR CD1 . 16185 1 884 . 1 1 108 108 TYR CE1 C 13 118.525 0.3 . 1 . . . . 226 TYR CE1 . 16185 1 885 . 1 1 108 108 TYR N N 15 121.138 0.3 . 1 . . . . 226 TYR N . 16185 1 886 . 1 1 109 109 ASP HA H 1 4.520 0.020 . 1 . . . . 227 ASP HA . 16185 1 887 . 1 1 109 109 ASP CA C 13 54.315 0.3 . 1 . . . . 227 ASP CA . 16185 1 888 . 1 1 109 109 ASP CB C 13 40.285 0.3 . 1 . . . . 227 ASP CB . 16185 1 889 . 1 1 109 109 ASP N N 15 121.687 0.3 . 1 . . . . 227 ASP N . 16185 1 890 . 1 1 110 110 GLY HA2 H 1 3.933 0.020 . 1 . . . . 228 GLY HA2 . 16185 1 891 . 1 1 110 110 GLY CA C 13 45.546 0.3 . 1 . . . . 228 GLY CA . 16185 1 892 . 1 1 110 110 GLY N N 15 108.271 0.3 . 1 . . . . 228 GLY N . 16185 1 893 . 1 1 111 111 ARG HA H 1 4.330 0.020 . 1 . . . . 229 ARG HA . 16185 1 894 . 1 1 111 111 ARG HB2 H 1 1.855 0.020 . 2 . . . . 229 ARG HB2 . 16185 1 895 . 1 1 111 111 ARG HB3 H 1 1.759 0.020 . 2 . . . . 229 ARG HB3 . 16185 1 896 . 1 1 111 111 ARG HE H 1 7.297 0.020 . 1 . . . . 229 ARG HE . 16185 1 897 . 1 1 111 111 ARG CA C 13 56.173 0.3 . 1 . . . . 229 ARG CA . 16185 1 898 . 1 1 111 111 ARG CB C 13 30.648 0.3 . 1 . . . . 229 ARG CB . 16185 1 899 . 1 1 111 111 ARG CD C 13 43.316 0.3 . 1 . . . . 229 ARG CD . 16185 1 900 . 1 1 111 111 ARG CG C 13 26.957 0.3 . 1 . . . . 229 ARG CG . 16185 1 901 . 1 1 111 111 ARG N N 15 120.090 0.3 . 1 . . . . 229 ARG N . 16185 1 902 . 1 1 111 111 ARG NE N 15 84.700 0.3 . 1 . . . . 229 ARG NE . 16185 1 903 . 1 1 112 112 ARG HA H 1 4.412 0.020 . 1 . . . . 230 ARG HA . 16185 1 904 . 1 1 112 112 ARG HB2 H 1 1.903 0.020 . 2 . . . . 230 ARG HB2 . 16185 1 905 . 1 1 112 112 ARG HB3 H 1 1.783 0.020 . 2 . . . . 230 ARG HB3 . 16185 1 906 . 1 1 112 112 ARG HE H 1 7.218 0.020 . 1 . . . . 230 ARG HE . 16185 1 907 . 1 1 112 112 ARG HG2 H 1 1.649 0.020 . 2 . . . . 230 ARG HG2 . 16185 1 908 . 1 1 112 112 ARG HG3 H 1 1.629 0.020 . 2 . . . . 230 ARG HG3 . 16185 1 909 . 1 1 112 112 ARG CA C 13 55.981 0.3 . 1 . . . . 230 ARG CA . 16185 1 910 . 1 1 112 112 ARG CB C 13 30.980 0.3 . 1 . . . . 230 ARG CB . 16185 1 911 . 1 1 112 112 ARG CD C 13 43.274 0.3 . 1 . . . . 230 ARG CD . 16185 1 912 . 1 1 112 112 ARG CG C 13 27.062 0.3 . 1 . . . . 230 ARG CG . 16185 1 913 . 1 1 112 112 ARG N N 15 122.184 0.3 . 1 . . . . 230 ARG N . 16185 1 914 . 1 1 112 112 ARG NE N 15 84.697 0.3 . 1 . . . . 230 ARG NE . 16185 1 915 . 1 1 113 113 SER HA H 1 4.520 0.020 . 1 . . . . 231 SER HA . 16185 1 916 . 1 1 113 113 SER HB2 H 1 3.929 0.020 . 2 . . . . 231 SER HB2 . 16185 1 917 . 1 1 113 113 SER HB3 H 1 3.891 0.020 . 2 . . . . 231 SER HB3 . 16185 1 918 . 1 1 113 113 SER CA C 13 58.305 0.3 . 1 . . . . 231 SER CA . 16185 1 919 . 1 1 113 113 SER CB C 13 63.993 0.3 . 1 . . . . 231 SER CB . 16185 1 920 . 1 1 113 113 SER N N 15 117.680 0.3 . 1 . . . . 231 SER N . 16185 1 921 . 1 1 114 114 SER HA H 1 4.303 0.020 . 1 . . . . 232 SER HA . 16185 1 922 . 1 1 114 114 SER CA C 13 59.904 0.3 . 1 . . . . 232 SER CA . 16185 1 923 . 1 1 114 114 SER CB C 13 64.669 0.3 . 1 . . . . 232 SER CB . 16185 1 924 . 1 1 114 114 SER N N 15 122.709 0.3 . 1 . . . . 232 SER N . 16185 1 stop_ save_