data_36261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36261 _Entry.Title ; Solution structure of the chromodomain of yeast Eaf3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-31 _Entry.Accession_date 2020-05-28 _Entry.Last_release_date 2020-05-28 _Entry.Original_release_date 2020-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36261 stop_ 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.ORCID _Entry_author.Entry_ID 1 M. Okuda M. . . . 36261 2 Y. Nishimura Y. . . . 36261 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HISTONE ACETYL TRANSFERASE' . 36261 'HISTONE DEACETYLASE' . 36261 'NUCLEAR PROTEIN' . 36261 TRANSCRIPTION . 36261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 36261 '15N chemical shifts' 124 36261 '1H chemical shifts' 740 36261 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-09-27 . original BMRB . 36261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6K5W 'BMRB Entry Tracking System' 36261 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36261 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32031206 _Citation.DOI 10.1042/BSR20191958 _Citation.Full_citation . _Citation.Title ; The Eaf3 chromodomain acts as a pH sensor for gene expression by altering its binding affinity for histone methylated-lysine residues. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biosci. Rep.' _Citation.Journal_name_full 'Bioscience reports' _Citation.Journal_volume 40 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0144-8463 _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 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Masahiko Okuda M. . . . 36261 1 2 Yoshifumi Nishimura Y. . . . 36261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36261 _Assembly.ID 1 _Assembly.Name 'DP1, General transcription factor IIH subunit 1' _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 'all free' _Assembly.Molecular_mass 14103.013 _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 entity_1 1 $entity_1 A A yes . . . . 'ESA1-associated factor 3' . 36261 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A -2 GLY . start no . 36261 1 . 1 1 10 GLU 10 . A 7 GLU . middle . . 36261 1 . 1 1 100 ILE 100 . A 97 ILE . middle . . 36261 1 . 1 1 101 ARG 101 . A 98 ARG . middle . . 36261 1 . 1 1 102 ALA 102 . A 99 ALA . middle . . 36261 1 . 1 1 103 TYR 103 . A 100 TYR . middle . . 36261 1 . 1 1 104 ASN 104 . A 101 ASN . middle . . 36261 1 . 1 1 105 GLU 105 . A 102 GLU . middle . . 36261 1 . 1 1 106 GLU 106 . A 103 GLU . middle . . 36261 1 . 1 1 107 ASN 107 . A 104 ASN . middle . . 36261 1 . 1 1 108 ILE 108 . A 105 ILE . middle . . 36261 1 . 1 1 109 ALA 109 . A 106 ALA . middle . . 36261 1 . 1 1 11 PHE 11 . A 8 PHE . middle . . 36261 1 . 1 1 110 MET 110 . A 107 MET . middle . . 36261 1 . 1 1 111 LYS 111 . A 108 LYS . middle . . 36261 1 . 1 1 112 LYS 112 . A 109 LYS . middle . . 36261 1 . 1 1 113 ARG 113 . A 110 ARG . middle . . 36261 1 . 1 1 114 LEU 114 . A 111 LEU . middle . . 36261 1 . 1 1 115 ALA 115 . A 112 ALA . middle . . 36261 1 . 1 1 116 ASN 116 . A 113 ASN . middle . . 36261 1 . 1 1 117 GLU 117 . A 114 GLU . middle . . 36261 1 . 1 1 118 ALA 118 . A 115 ALA . middle . . 36261 1 . 1 1 119 LYS 119 . A 116 LYS . middle . . 36261 1 . 1 1 12 ALA 12 . A 9 ALA . middle . . 36261 1 . 1 1 120 GLU 120 . A 117 GLU . middle . . 36261 1 . 1 1 121 ALA 121 . A 118 ALA . middle . . 36261 1 . 1 1 122 LYS 122 . A 119 LYS . middle . . 36261 1 . 1 1 123 LYS 123 . A 120 LYS . end . . 36261 1 . 1 1 13 LEU 13 . A 10 LEU . middle . . 36261 1 . 1 1 14 GLY 14 . A 11 GLY . middle no . 36261 1 . 1 1 15 GLY 15 . A 12 GLY . middle no . 36261 1 . 1 1 16 ARG 16 . A 13 ARG . middle . . 36261 1 . 1 1 17 CYS 17 . A 14 CYS . middle . . 36261 1 . 1 1 18 LEU 18 . A 15 LEU . middle . . 36261 1 . 1 1 19 ALA 19 . A 16 ALA . middle . . 36261 1 . 1 1 2 SER 2 . A -1 SER . middle . . 36261 1 . 1 1 20 PHE 20 . A 17 PHE . middle . . 36261 1 . 1 1 21 HIS 21 . A 18 HIS . middle . . 36261 1 . 1 1 22 GLY 22 . A 19 GLY . middle no . 36261 1 . 1 1 23 PRO 23 . A 20 PRO . middle no . 36261 1 . 1 1 24 LEU 24 . A 21 LEU . middle . . 36261 1 . 1 1 25 MET 25 . A 22 MET . middle . . 36261 1 . 1 1 26 TYR 26 . A 23 TYR . middle . . 36261 1 . 1 1 27 GLU 27 . A 24 GLU . middle . . 36261 1 . 1 1 28 ALA 28 . A 25 ALA . middle . . 36261 1 . 1 1 29 LYS 29 . A 26 LYS . middle . . 36261 1 . 1 1 3 HIS 3 . A 0 HIS . middle . . 36261 1 . 1 1 30 ILE 30 . A 27 ILE . middle . . 36261 1 . 1 1 31 LEU 31 . A 28 LEU . middle . . 36261 1 . 1 1 32 LYS 32 . A 29 LYS . middle . . 36261 1 . 1 1 33 ILE 33 . A 30 ILE . middle . . 36261 1 . 1 1 34 TRP 34 . A 31 TRP . middle . . 36261 1 . 1 1 35 ASP 35 . A 32 ASP . middle . . 36261 1 . 1 1 36 PRO 36 . A 33 PRO . middle no . 36261 1 . 1 1 37 SER 37 . A 34 SER . middle . . 36261 1 . 1 1 38 SER 38 . A 35 SER . middle . . 36261 1 . 1 1 39 LYS 39 . A 36 LYS . middle . . 36261 1 . 1 1 4 MET 4 . A 1 MET . middle . . 36261 1 . 1 1 40 MET 40 . A 37 MET . middle . . 36261 1 . 1 1 41 TYR 41 . A 38 TYR . middle . . 36261 1 . 1 1 42 THR 42 . A 39 THR . middle . . 36261 1 . 1 1 43 SER 43 . A 40 SER . middle . . 36261 1 . 1 1 44 ILE 44 . A 41 ILE . middle . . 36261 1 . 1 1 45 PRO 45 . A 42 PRO . middle no . 36261 1 . 1 1 46 ASN 46 . A 43 ASN . middle . . 36261 1 . 1 1 47 ASP 47 . A 44 ASP . middle . . 36261 1 . 1 1 48 LYS 48 . A 45 LYS . middle . . 36261 1 . 1 1 49 PRO 49 . A 46 PRO . middle no . 36261 1 . 1 1 5 VAL 5 . A 2 VAL . middle . . 36261 1 . 1 1 50 GLY 50 . A 47 GLY . middle no . 36261 1 . 1 1 51 GLY 51 . A 48 GLY . middle no . 36261 1 . 1 1 52 SER 52 . A 49 SER . middle . . 36261 1 . 1 1 53 SER 53 . A 50 SER . middle . . 36261 1 . 1 1 54 GLN 54 . A 51 GLN . middle . . 36261 1 . 1 1 55 ALA 55 . A 52 ALA . middle . . 36261 1 . 1 1 56 THR 56 . A 53 THR . middle . . 36261 1 . 1 1 57 LYS 57 . A 54 LYS . middle . . 36261 1 . 1 1 58 GLU 58 . A 55 GLU . middle . . 36261 1 . 1 1 59 ILE 59 . A 56 ILE . middle . . 36261 1 . 1 1 6 ASP 6 . A 3 ASP . middle . . 36261 1 . 1 1 60 LYS 60 . A 57 LYS . middle . . 36261 1 . 1 1 61 PRO 61 . A 58 PRO . middle no . 36261 1 . 1 1 62 GLN 62 . A 59 GLN . middle . . 36261 1 . 1 1 63 LYS 63 . A 60 LYS . middle . . 36261 1 . 1 1 64 LEU 64 . A 61 LEU . middle . . 36261 1 . 1 1 65 GLY 65 . A 62 GLY . middle no . 36261 1 . 1 1 66 GLU 66 . A 63 GLU . middle . . 36261 1 . 1 1 67 ASP 67 . A 64 ASP . middle . . 36261 1 . 1 1 68 GLU 68 . A 65 GLU . middle . . 36261 1 . 1 1 69 SER 69 . A 66 SER . middle . . 36261 1 . 1 1 7 LEU 7 . A 4 LEU . middle . . 36261 1 . 1 1 70 ILE 70 . A 67 ILE . middle . . 36261 1 . 1 1 71 PRO 71 . A 68 PRO . middle no . 36261 1 . 1 1 72 GLU 72 . A 69 GLU . middle . . 36261 1 . 1 1 73 GLU 73 . A 70 GLU . middle . . 36261 1 . 1 1 74 ILE 74 . A 71 ILE . middle . . 36261 1 . 1 1 75 ILE 75 . A 72 ILE . middle . . 36261 1 . 1 1 76 ASN 76 . A 73 ASN . middle . . 36261 1 . 1 1 77 GLY 77 . A 74 GLY . middle no . 36261 1 . 1 1 78 LYS 78 . A 75 LYS . middle . . 36261 1 . 1 1 79 CYS 79 . A 76 CYS . middle . . 36261 1 . 1 1 8 GLU 8 . A 5 GLU . middle . . 36261 1 . 1 1 80 PHE 80 . A 77 PHE . middle . . 36261 1 . 1 1 81 PHE 81 . A 78 PHE . middle . . 36261 1 . 1 1 82 ILE 82 . A 79 ILE . middle . . 36261 1 . 1 1 83 HIS 83 . A 80 HIS . middle . . 36261 1 . 1 1 84 TYR 84 . A 81 TYR . middle . . 36261 1 . 1 1 85 GLN 85 . A 82 GLN . middle . . 36261 1 . 1 1 86 GLY 86 . A 83 GLY . middle no . 36261 1 . 1 1 87 TRP 87 . A 84 TRP . middle . . 36261 1 . 1 1 88 LYS 88 . A 85 LYS . middle . . 36261 1 . 1 1 89 SER 89 . A 86 SER . middle . . 36261 1 . 1 1 9 GLN 9 . A 6 GLN . middle . . 36261 1 . 1 1 90 SER 90 . A 87 SER . middle . . 36261 1 . 1 1 91 TRP 91 . A 88 TRP . middle . . 36261 1 . 1 1 92 ASP 92 . A 89 ASP . middle . . 36261 1 . 1 1 93 GLU 93 . A 90 GLU . middle . . 36261 1 . 1 1 94 TRP 94 . A 91 TRP . middle . . 36261 1 . 1 1 95 VAL 95 . A 92 VAL . middle . . 36261 1 . 1 1 96 GLY 96 . A 93 GLY . middle no . 36261 1 . 1 1 97 TYR 97 . A 94 TYR . middle . . 36261 1 . 1 1 98 ASP 98 . A 95 ASP . middle . . 36261 1 . 1 1 99 ARG 99 . A 96 ARG . middle . . 36261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromatin modification-related protein EAF3' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GSHMVDLEQEFALGGRCLAF HGPLMYEAKILKIWDPSSKM YTSIPNDKPGGSSQATKEIK PQKLGEDESIPEEIINGKCF FIHYQGWKSSWDEWVGYDRI RAYNEENIAMKKRLANEAKE AKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14103.013 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ESA1-associated factor 3' common 36261 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 -2 GLY . 36261 1 2 -1 SER . 36261 1 3 0 HIS . 36261 1 4 1 MET . 36261 1 5 2 VAL . 36261 1 6 3 ASP . 36261 1 7 4 LEU . 36261 1 8 5 GLU . 36261 1 9 6 GLN . 36261 1 10 7 GLU . 36261 1 11 8 PHE . 36261 1 12 9 ALA . 36261 1 13 10 LEU . 36261 1 14 11 GLY . 36261 1 15 12 GLY . 36261 1 16 13 ARG . 36261 1 17 14 CYS . 36261 1 18 15 LEU . 36261 1 19 16 ALA . 36261 1 20 17 PHE . 36261 1 21 18 HIS . 36261 1 22 19 GLY . 36261 1 23 20 PRO . 36261 1 24 21 LEU . 36261 1 25 22 MET . 36261 1 26 23 TYR . 36261 1 27 24 GLU . 36261 1 28 25 ALA . 36261 1 29 26 LYS . 36261 1 30 27 ILE . 36261 1 31 28 LEU . 36261 1 32 29 LYS . 36261 1 33 30 ILE . 36261 1 34 31 TRP . 36261 1 35 32 ASP . 36261 1 36 33 PRO . 36261 1 37 34 SER . 36261 1 38 35 SER . 36261 1 39 36 LYS . 36261 1 40 37 MET . 36261 1 41 38 TYR . 36261 1 42 39 THR . 36261 1 43 40 SER . 36261 1 44 41 ILE . 36261 1 45 42 PRO . 36261 1 46 43 ASN . 36261 1 47 44 ASP . 36261 1 48 45 LYS . 36261 1 49 46 PRO . 36261 1 50 47 GLY . 36261 1 51 48 GLY . 36261 1 52 49 SER . 36261 1 53 50 SER . 36261 1 54 51 GLN . 36261 1 55 52 ALA . 36261 1 56 53 THR . 36261 1 57 54 LYS . 36261 1 58 55 GLU . 36261 1 59 56 ILE . 36261 1 60 57 LYS . 36261 1 61 58 PRO . 36261 1 62 59 GLN . 36261 1 63 60 LYS . 36261 1 64 61 LEU . 36261 1 65 62 GLY . 36261 1 66 63 GLU . 36261 1 67 64 ASP . 36261 1 68 65 GLU . 36261 1 69 66 SER . 36261 1 70 67 ILE . 36261 1 71 68 PRO . 36261 1 72 69 GLU . 36261 1 73 70 GLU . 36261 1 74 71 ILE . 36261 1 75 72 ILE . 36261 1 76 73 ASN . 36261 1 77 74 GLY . 36261 1 78 75 LYS . 36261 1 79 76 CYS . 36261 1 80 77 PHE . 36261 1 81 78 PHE . 36261 1 82 79 ILE . 36261 1 83 80 HIS . 36261 1 84 81 TYR . 36261 1 85 82 GLN . 36261 1 86 83 GLY . 36261 1 87 84 TRP . 36261 1 88 85 LYS . 36261 1 89 86 SER . 36261 1 90 87 SER . 36261 1 91 88 TRP . 36261 1 92 89 ASP . 36261 1 93 90 GLU . 36261 1 94 91 TRP . 36261 1 95 92 VAL . 36261 1 96 93 GLY . 36261 1 97 94 TYR . 36261 1 98 95 ASP . 36261 1 99 96 ARG . 36261 1 100 97 ILE . 36261 1 101 98 ARG . 36261 1 102 99 ALA . 36261 1 103 100 TYR . 36261 1 104 101 ASN . 36261 1 105 102 GLU . 36261 1 106 103 GLU . 36261 1 107 104 ASN . 36261 1 108 105 ILE . 36261 1 109 106 ALA . 36261 1 110 107 MET . 36261 1 111 108 LYS . 36261 1 112 109 LYS . 36261 1 113 110 ARG . 36261 1 114 111 LEU . 36261 1 115 112 ALA . 36261 1 116 113 ASN . 36261 1 117 114 GLU . 36261 1 118 115 ALA . 36261 1 119 116 LYS . 36261 1 120 117 GLU . 36261 1 121 118 ALA . 36261 1 122 119 LYS . 36261 1 123 120 LYS . 36261 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 36261 1 . SER 2 2 36261 1 . HIS 3 3 36261 1 . MET 4 4 36261 1 . VAL 5 5 36261 1 . ASP 6 6 36261 1 . LEU 7 7 36261 1 . GLU 8 8 36261 1 . GLN 9 9 36261 1 . GLU 10 10 36261 1 . PHE 11 11 36261 1 . ALA 12 12 36261 1 . LEU 13 13 36261 1 . GLY 14 14 36261 1 . GLY 15 15 36261 1 . ARG 16 16 36261 1 . CYS 17 17 36261 1 . LEU 18 18 36261 1 . ALA 19 19 36261 1 . PHE 20 20 36261 1 . HIS 21 21 36261 1 . GLY 22 22 36261 1 . PRO 23 23 36261 1 . LEU 24 24 36261 1 . MET 25 25 36261 1 . TYR 26 26 36261 1 . GLU 27 27 36261 1 . ALA 28 28 36261 1 . LYS 29 29 36261 1 . ILE 30 30 36261 1 . LEU 31 31 36261 1 . LYS 32 32 36261 1 . ILE 33 33 36261 1 . TRP 34 34 36261 1 . ASP 35 35 36261 1 . PRO 36 36 36261 1 . SER 37 37 36261 1 . SER 38 38 36261 1 . LYS 39 39 36261 1 . MET 40 40 36261 1 . TYR 41 41 36261 1 . THR 42 42 36261 1 . SER 43 43 36261 1 . ILE 44 44 36261 1 . PRO 45 45 36261 1 . ASN 46 46 36261 1 . ASP 47 47 36261 1 . LYS 48 48 36261 1 . PRO 49 49 36261 1 . GLY 50 50 36261 1 . GLY 51 51 36261 1 . SER 52 52 36261 1 . SER 53 53 36261 1 . GLN 54 54 36261 1 . ALA 55 55 36261 1 . THR 56 56 36261 1 . LYS 57 57 36261 1 . GLU 58 58 36261 1 . ILE 59 59 36261 1 . LYS 60 60 36261 1 . PRO 61 61 36261 1 . GLN 62 62 36261 1 . LYS 63 63 36261 1 . LEU 64 64 36261 1 . GLY 65 65 36261 1 . GLU 66 66 36261 1 . ASP 67 67 36261 1 . GLU 68 68 36261 1 . SER 69 69 36261 1 . ILE 70 70 36261 1 . PRO 71 71 36261 1 . GLU 72 72 36261 1 . GLU 73 73 36261 1 . ILE 74 74 36261 1 . ILE 75 75 36261 1 . ASN 76 76 36261 1 . GLY 77 77 36261 1 . LYS 78 78 36261 1 . CYS 79 79 36261 1 . PHE 80 80 36261 1 . PHE 81 81 36261 1 . ILE 82 82 36261 1 . HIS 83 83 36261 1 . TYR 84 84 36261 1 . GLN 85 85 36261 1 . GLY 86 86 36261 1 . TRP 87 87 36261 1 . LYS 88 88 36261 1 . SER 89 89 36261 1 . SER 90 90 36261 1 . TRP 91 91 36261 1 . ASP 92 92 36261 1 . GLU 93 93 36261 1 . TRP 94 94 36261 1 . VAL 95 95 36261 1 . GLY 96 96 36261 1 . TYR 97 97 36261 1 . ASP 98 98 36261 1 . ARG 99 99 36261 1 . ILE 100 100 36261 1 . ARG 101 101 36261 1 . ALA 102 102 36261 1 . TYR 103 103 36261 1 . ASN 104 104 36261 1 . GLU 105 105 36261 1 . GLU 106 106 36261 1 . ASN 107 107 36261 1 . ILE 108 108 36261 1 . ALA 109 109 36261 1 . MET 110 110 36261 1 . LYS 111 111 36261 1 . LYS 112 112 36261 1 . ARG 113 113 36261 1 . LEU 114 114 36261 1 . ALA 115 115 36261 1 . ASN 116 116 36261 1 . GLU 117 117 36261 1 . ALA 118 118 36261 1 . LYS 119 119 36261 1 . GLU 120 120 36261 1 . ALA 121 121 36261 1 . LYS 122 122 36261 1 . LYS 123 123 36261 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 36261 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'EAF3, YPR023C, YP9367.03C' . 36261 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 36261 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 36261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_H2O _Sample.Entry_ID 36261 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.47 mM [U-13C,15N] Eaf3, 90% H2O/10% D2O' _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 Eaf3 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.47 . . mM . . . . 36261 1 2 dithiothreitol 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36261 1 3 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36261 1 4 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36261 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36261 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36261 1 stop_ save_ save_13C_15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_D2O _Sample.Entry_ID 36261 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.47 mM [U-13C,15N] Eaf3, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Eaf3 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.47 . . mM . . . . 36261 2 2 dithiothreitol 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36261 2 3 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36261 2 4 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36261 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36261 2 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 36261 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.47 mM [U-15N] Eaf3, 90% H2O/10% D2O' _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 Eaf3 [U-15N] 1 $assembly 1 $entity_1 . protein 1.47 . . mM . . . . 36261 3 2 dithiothreitol 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36261 3 3 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36261 3 4 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36261 3 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36261 3 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36261 3 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 36261 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details conditions_1 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' 30 . mM 36261 1 pH 6.8 . pH 36261 1 pressure 1 . atm 36261 1 temperature 298 . K 36261 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36261 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36261 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36261 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36261 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36261 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36261 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36261 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36261 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36261 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36261 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36261 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36261 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36261 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36261 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36261 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36261 _Software.ID 6 _Software.Type . _Software.Name MOLMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 36261 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36261 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36261 _Software.ID 7 _Software.Type . _Software.Name 'PROCHECK / PROCHECK-NMR' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 36261 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36261 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36261 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36261 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36261 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 36261 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 36261 1 3 NMR_spectrometer_3 Bruker AVANCE . 800 . . . 36261 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36261 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 3 '3D CBCANH' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 5 '3D HNCA' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 6 '3D HCCH-TOCSY' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 7 '3D H(CC)(CO)HN' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36261 1 8 '3D CC(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36261 1 9 '3D HBHA(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 10 '3D HNCO' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 11 '3D HN(CA)CO' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 12 '3D HN(CO)CA' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 13 '3D HNHA' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 14 '3D HNCG' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 15 '3D HN(CO)HB' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 16 '3D HNHB' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 17 '3D HN(CO)CG' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 18 '2D HBCBCGCEHE' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 19 '2D CGCBH' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 20 '2D HBCBCDHD' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 21 '2D CGCEH' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 22 '3D HCCH-COSY' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36261 1 23 '2D CGCDH' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 24 '2D 1H-1H TOCSY' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 25 '2D DQF-COSY' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36261 1 26 '3D 1H-13C NOESY' . . . . . . . . . . . . . 2 $13C_15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 27 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $13C_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36261 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TSP _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TSP _Chem_shift_reference.Entry_ID 36261 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36261 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36261 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36261 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $TSP _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 ; _Atom_chem_shift.Val 51.037 is not within expected range (avg 32.737, std 1.739, min 15.95, max 46.6, Z_score 10.52). Neither aromatic ring nor paramagnetic/ferromagnetic atom were found in the vicinity. Please check for folded/aliased signals. _Atom_chem_shift.Val -1.825 is not within expected range (avg 0.683, std 0.279, min -1.468, max 2.82, Z_score -8.99). Neither aromatic ring nor paramagnetic/ferromagnetic atom were found in the vicinity. Please check for folded/aliased signals. _Atom_chem_shift.Val -1.825 is not within expected range (avg 0.683, std 0.279, min -1.468, max 2.82, Z_score -8.99). Neither aromatic ring nor paramagnetic/ferromagnetic atom were found in the vicinity. Please check for folded/aliased signals. _Atom_chem_shift.Val -1.825 is not within expected range (avg 0.683, std 0.279, min -1.468, max 2.82, Z_score -8.99). Neither aromatic ring nor paramagnetic/ferromagnetic atom were found in the vicinity. Please check for folded/aliased signals. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $13C_15N_H2O isotropic 36261 1 2 '2D 1H-13C HSQC' 2 $13C_15N_D2O isotropic 36261 1 3 '3D CBCANH' 1 $13C_15N_H2O isotropic 36261 1 4 '3D CBCA(CO)NH' 1 $13C_15N_H2O isotropic 36261 1 5 '3D HNCA' 1 $13C_15N_H2O isotropic 36261 1 6 '3D HCCH-TOCSY' 2 $13C_15N_D2O isotropic 36261 1 7 '3D H(CC)(CO)HN' 1 $13C_15N_H2O isotropic 36261 1 8 '3D CC(CO)NH' 1 $13C_15N_H2O isotropic 36261 1 9 '3D HBHA(CO)NH' 1 $13C_15N_H2O isotropic 36261 1 10 '3D HNCO' 1 $13C_15N_H2O isotropic 36261 1 11 '3D HN(CA)CO' 1 $13C_15N_H2O isotropic 36261 1 12 '3D HN(CO)CA' 1 $13C_15N_H2O isotropic 36261 1 13 '3D HNHA' 1 $13C_15N_H2O isotropic 36261 1 14 '3D HNCG' 1 $13C_15N_H2O isotropic 36261 1 15 '3D HN(CO)HB' 1 $13C_15N_H2O isotropic 36261 1 16 '3D HNHB' 1 $13C_15N_H2O isotropic 36261 1 17 '3D HN(CO)CG' 1 $13C_15N_H2O isotropic 36261 1 18 '2D HBCBCGCEHE' 2 $13C_15N_D2O isotropic 36261 1 19 '2D CGCBH' 2 $13C_15N_D2O isotropic 36261 1 20 '2D HBCBCDHD' 2 $13C_15N_D2O isotropic 36261 1 21 '2D CGCEH' 2 $13C_15N_D2O isotropic 36261 1 22 '3D HCCH-COSY' 2 $13C_15N_D2O isotropic 36261 1 23 '2D CGCDH' 2 $13C_15N_D2O isotropic 36261 1 24 '2D 1H-1H TOCSY' 2 $13C_15N_D2O isotropic 36261 1 25 '2D DQF-COSY' 2 $13C_15N_D2O isotropic 36261 1 26 '3D 1H-13C NOESY' 2 $13C_15N_D2O isotropic 36261 1 27 '3D 1H-15N NOESY' 1 $13C_15N_H2O isotropic 36261 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 MET HA H 1 4.4660 0.0000 . 1 . . . . A 1 MET HA . 36261 1 2 . 1 . 1 4 4 MET HB2 H 1 1.9720 0.0000 . 2 . . . . A 1 MET HB2 . 36261 1 3 . 1 . 1 4 4 MET HB3 H 1 2.0660 0.0000 . 2 . . . . A 1 MET HB3 . 36261 1 4 . 1 . 1 4 4 MET HG2 H 1 2.4550 0.0000 . 2 . . . . A 1 MET HG2 . 36261 1 5 . 1 . 1 4 4 MET HG3 H 1 2.5240 0.0000 . 2 . . . . A 1 MET HG3 . 36261 1 6 . 1 . 1 4 4 MET C C 13 175.9640 0.0000 . 1 . . . . A 1 MET C . 36261 1 7 . 1 . 1 4 4 MET CA C 13 55.4210 0.0000 . 1 . . . . A 1 MET CA . 36261 1 8 . 1 . 1 4 4 MET CB C 13 32.7020 0.0000 . 1 . . . . A 1 MET CB . 36261 1 9 . 1 . 1 4 4 MET CG C 13 32.1090 0.0000 . 1 . . . . A 1 MET CG . 36261 1 10 . 1 . 1 4 4 MET N N 15 123.3620 0.0000 . 1 . . . . A 1 MET N . 36261 1 11 . 1 . 1 5 5 VAL H H 1 8.1470 0.0000 . 1 . . . . A 2 VAL H . 36261 1 12 . 1 . 1 5 5 VAL HA H 1 4.1100 0.0000 . 1 . . . . A 2 VAL HA . 36261 1 13 . 1 . 1 5 5 VAL HB H 1 2.0740 0.0000 . 1 . . . . A 2 VAL HB . 36261 1 14 . 1 . 1 5 5 VAL HG11 H 1 0.9370 0.0000 . 2 . . . . A 2 VAL HG11 . 36261 1 15 . 1 . 1 5 5 VAL HG12 H 1 0.9370 0.0000 . 2 . . . . A 2 VAL HG12 . 36261 1 16 . 1 . 1 5 5 VAL HG13 H 1 0.9370 0.0000 . 2 . . . . A 2 VAL HG13 . 36261 1 17 . 1 . 1 5 5 VAL C C 13 175.5970 0.0000 . 1 . . . . A 2 VAL C . 36261 1 18 . 1 . 1 5 5 VAL CA C 13 62.2130 0.0000 . 1 . . . . A 2 VAL CA . 36261 1 19 . 1 . 1 5 5 VAL CB C 13 32.8110 0.0000 . 1 . . . . A 2 VAL CB . 36261 1 20 . 1 . 1 5 5 VAL CG1 C 13 20.8920 0.0000 . 2 . . . . A 2 VAL CG1 . 36261 1 21 . 1 . 1 5 5 VAL N N 15 122.2260 0.0000 . 1 . . . . A 2 VAL N . 36261 1 22 . 1 . 1 6 6 ASP H H 1 8.4170 0.0000 . 1 . . . . A 3 ASP H . 36261 1 23 . 1 . 1 6 6 ASP HA H 1 4.6490 0.0000 . 1 . . . . A 3 ASP HA . 36261 1 24 . 1 . 1 6 6 ASP HB2 H 1 2.6180 0.0000 . 2 . . . . A 3 ASP HB2 . 36261 1 25 . 1 . 1 6 6 ASP HB3 H 1 2.7880 0.0000 . 2 . . . . A 3 ASP HB3 . 36261 1 26 . 1 . 1 6 6 ASP C C 13 176.4300 0.0000 . 1 . . . . A 3 ASP C . 36261 1 27 . 1 . 1 6 6 ASP CA C 13 54.0510 0.0000 . 1 . . . . A 3 ASP CA . 36261 1 28 . 1 . 1 6 6 ASP CB C 13 41.0080 0.0000 . 1 . . . . A 3 ASP CB . 36261 1 29 . 1 . 1 6 6 ASP N N 15 125.1170 0.0000 . 1 . . . . A 3 ASP N . 36261 1 30 . 1 . 1 7 7 LEU H H 1 8.3040 0.0000 . 1 . . . . A 4 LEU H . 36261 1 31 . 1 . 1 7 7 LEU HA H 1 4.2810 0.0000 . 1 . . . . A 4 LEU HA . 36261 1 32 . 1 . 1 7 7 LEU HB2 H 1 1.6440 0.0000 . 2 . . . . A 4 LEU HB2 . 36261 1 33 . 1 . 1 7 7 LEU HB3 H 1 1.7160 0.0000 . 2 . . . . A 4 LEU HB3 . 36261 1 34 . 1 . 1 7 7 LEU HG H 1 1.6800 0.0000 . 1 . . . . A 4 LEU HG . 36261 1 35 . 1 . 1 7 7 LEU HD11 H 1 0.9410 0.0000 . 2 . . . . A 4 LEU HD11 . 36261 1 36 . 1 . 1 7 7 LEU HD12 H 1 0.9410 0.0000 . 2 . . . . A 4 LEU HD12 . 36261 1 37 . 1 . 1 7 7 LEU HD13 H 1 0.9410 0.0000 . 2 . . . . A 4 LEU HD13 . 36261 1 38 . 1 . 1 7 7 LEU HD21 H 1 0.8760 0.0000 . 2 . . . . A 4 LEU HD21 . 36261 1 39 . 1 . 1 7 7 LEU HD22 H 1 0.8760 0.0000 . 2 . . . . A 4 LEU HD22 . 36261 1 40 . 1 . 1 7 7 LEU HD23 H 1 0.8760 0.0000 . 2 . . . . A 4 LEU HD23 . 36261 1 41 . 1 . 1 7 7 LEU C C 13 177.9160 0.0000 . 1 . . . . A 4 LEU C . 36261 1 42 . 1 . 1 7 7 LEU CA C 13 55.7110 0.0000 . 1 . . . . A 4 LEU CA . 36261 1 43 . 1 . 1 7 7 LEU CB C 13 42.1970 0.0000 . 1 . . . . A 4 LEU CB . 36261 1 44 . 1 . 1 7 7 LEU CG C 13 26.9730 0.0000 . 1 . . . . A 4 LEU CG . 36261 1 45 . 1 . 1 7 7 LEU CD1 C 13 25.1250 0.0000 . 2 . . . . A 4 LEU CD1 . 36261 1 46 . 1 . 1 7 7 LEU CD2 C 13 23.3600 0.0000 . 2 . . . . A 4 LEU CD2 . 36261 1 47 . 1 . 1 7 7 LEU N N 15 124.3090 0.0000 . 1 . . . . A 4 LEU N . 36261 1 48 . 1 . 1 8 8 GLU H H 1 8.4030 0.0000 . 1 . . . . A 5 GLU H . 36261 1 49 . 1 . 1 8 8 GLU HA H 1 4.2620 0.0000 . 1 . . . . A 5 GLU HA . 36261 1 50 . 1 . 1 8 8 GLU HB2 H 1 2.0810 0.0000 . 2 . . . . A 5 GLU HB2 . 36261 1 51 . 1 . 1 8 8 GLU HB3 H 1 2.0970 0.0000 . 2 . . . . A 5 GLU HB3 . 36261 1 52 . 1 . 1 8 8 GLU HG2 H 1 2.2860 0.0000 . 2 . . . . A 5 GLU HG2 . 36261 1 53 . 1 . 1 8 8 GLU HG3 H 1 2.3500 0.0000 . 2 . . . . A 5 GLU HG3 . 36261 1 54 . 1 . 1 8 8 GLU C C 13 176.8660 0.0000 . 1 . . . . A 5 GLU C . 36261 1 55 . 1 . 1 8 8 GLU CA C 13 57.1250 0.0000 . 1 . . . . A 5 GLU CA . 36261 1 56 . 1 . 1 8 8 GLU CB C 13 29.5840 0.0000 . 1 . . . . A 5 GLU CB . 36261 1 57 . 1 . 1 8 8 GLU CG C 13 36.3190 0.0000 . 1 . . . . A 5 GLU CG . 36261 1 58 . 1 . 1 8 8 GLU N N 15 121.4970 0.0000 . 1 . . . . A 5 GLU N . 36261 1 59 . 1 . 1 9 9 GLN H H 1 8.1020 0.0000 . 1 . . . . A 6 GLN H . 36261 1 60 . 1 . 1 9 9 GLN HA H 1 4.2740 0.0000 . 1 . . . . A 6 GLN HA . 36261 1 61 . 1 . 1 9 9 GLN HB3 H 1 2.0960 0.0000 . 2 . . . . A 6 GLN HB3 . 36261 1 62 . 1 . 1 9 9 GLN HG3 H 1 2.3220 0.0000 . 2 . . . . A 6 GLN HG3 . 36261 1 63 . 1 . 1 9 9 GLN HE21 H 1 7.6160 0.0000 . 2 . . . . A 6 GLN HE21 . 36261 1 64 . 1 . 1 9 9 GLN HE22 H 1 6.8840 0.0000 . 2 . . . . A 6 GLN HE22 . 36261 1 65 . 1 . 1 9 9 GLN C C 13 175.8380 0.0000 . 1 . . . . A 6 GLN C . 36261 1 66 . 1 . 1 9 9 GLN CA C 13 51.0370 0.0000 . 1 . . . . A 6 GLN CA . 36261 1 67 . 1 . 1 9 9 GLN CB C 13 30.1840 0.0000 . 1 . . . . A 6 GLN CB . 36261 1 68 . 1 . 1 9 9 GLN N N 15 120.4640 0.0000 . 1 . . . . A 6 GLN N . 36261 1 69 . 1 . 1 9 9 GLN NE2 N 15 113.9670 0.0000 . 1 . . . . A 6 GLN NE2 . 36261 1 70 . 1 . 1 10 10 GLU H H 1 8.1960 0.0000 . 1 . . . . A 7 GLU H . 36261 1 71 . 1 . 1 10 10 GLU HA H 1 4.1200 0.0000 . 1 . . . . A 7 GLU HA . 36261 1 72 . 1 . 1 10 10 GLU HB3 H 1 1.7130 0.0000 . 2 . . . . A 7 GLU HB3 . 36261 1 73 . 1 . 1 10 10 GLU HG2 H 1 1.9670 0.0000 . 2 . . . . A 7 GLU HG2 . 36261 1 74 . 1 . 1 10 10 GLU HG3 H 1 2.0810 0.0000 . 2 . . . . A 7 GLU HG3 . 36261 1 75 . 1 . 1 10 10 GLU C C 13 175.9410 0.0000 . 1 . . . . A 7 GLU C . 36261 1 76 . 1 . 1 10 10 GLU CA C 13 56.9320 0.0000 . 1 . . . . A 7 GLU CA . 36261 1 77 . 1 . 1 10 10 GLU CB C 13 30.2370 0.0000 . 1 . . . . A 7 GLU CB . 36261 1 78 . 1 . 1 10 10 GLU CG C 13 36.0110 0.0000 . 1 . . . . A 7 GLU CG . 36261 1 79 . 1 . 1 10 10 GLU N N 15 122.5380 0.0000 . 1 . . . . A 7 GLU N . 36261 1 80 . 1 . 1 11 11 PHE H H 1 7.9560 0.0000 . 1 . . . . A 8 PHE H . 36261 1 81 . 1 . 1 11 11 PHE HA H 1 4.7370 0.0000 . 1 . . . . A 8 PHE HA . 36261 1 82 . 1 . 1 11 11 PHE HB2 H 1 2.9030 0.0000 . 1 . . . . A 8 PHE HB2 . 36261 1 83 . 1 . 1 11 11 PHE HB3 H 1 2.8170 0.0000 . 1 . . . . A 8 PHE HB3 . 36261 1 84 . 1 . 1 11 11 PHE HD1 H 1 7.1190 0.0000 . 3 . . . . A 8 PHE HD1 . 36261 1 85 . 1 . 1 11 11 PHE HE1 H 1 6.9550 0.0000 . 3 . . . . A 8 PHE HE1 . 36261 1 86 . 1 . 1 11 11 PHE HZ H 1 7.0260 0.0000 . 1 . . . . A 8 PHE HZ . 36261 1 87 . 1 . 1 11 11 PHE C C 13 174.0820 0.0000 . 1 . . . . A 8 PHE C . 36261 1 88 . 1 . 1 11 11 PHE CA C 13 56.7900 0.0000 . 1 . . . . A 8 PHE CA . 36261 1 89 . 1 . 1 11 11 PHE CB C 13 39.5320 0.0000 . 1 . . . . A 8 PHE CB . 36261 1 90 . 1 . 1 11 11 PHE CD1 C 13 131.1260 0.0000 . 3 . . . . A 8 PHE CD1 . 36261 1 91 . 1 . 1 11 11 PHE CE1 C 13 129.2080 0.0000 . 3 . . . . A 8 PHE CE1 . 36261 1 92 . 1 . 1 11 11 PHE CZ C 13 131.0590 0.0000 . 1 . . . . A 8 PHE CZ . 36261 1 93 . 1 . 1 11 11 PHE N N 15 120.9580 0.0000 . 1 . . . . A 8 PHE N . 36261 1 94 . 1 . 1 12 12 ALA H H 1 8.0970 0.0000 . 1 . . . . A 9 ALA H . 36261 1 95 . 1 . 1 12 12 ALA HA H 1 4.6430 0.0000 . 1 . . . . A 9 ALA HA . 36261 1 96 . 1 . 1 12 12 ALA HB1 H 1 1.3900 0.0000 . 1 . . . . A 9 ALA HB1 . 36261 1 97 . 1 . 1 12 12 ALA HB2 H 1 1.3900 0.0000 . 1 . . . . A 9 ALA HB2 . 36261 1 98 . 1 . 1 12 12 ALA HB3 H 1 1.3900 0.0000 . 1 . . . . A 9 ALA HB3 . 36261 1 99 . 1 . 1 12 12 ALA C C 13 177.0340 0.0000 . 1 . . . . A 9 ALA C . 36261 1 100 . 1 . 1 12 12 ALA CA C 13 50.4100 0.0000 . 1 . . . . A 9 ALA CA . 36261 1 101 . 1 . 1 12 12 ALA CB C 13 21.8900 0.0000 . 1 . . . . A 9 ALA CB . 36261 1 102 . 1 . 1 12 12 ALA N N 15 125.0990 0.0000 . 1 . . . . A 9 ALA N . 36261 1 103 . 1 . 1 13 13 LEU H H 1 8.6450 0.0000 . 1 . . . . A 10 LEU H . 36261 1 104 . 1 . 1 13 13 LEU HA H 1 3.8280 0.0000 . 1 . . . . A 10 LEU HA . 36261 1 105 . 1 . 1 13 13 LEU HB2 H 1 1.5070 0.0000 . 2 . . . . A 10 LEU HB2 . 36261 1 106 . 1 . 1 13 13 LEU HB3 H 1 1.7080 0.0000 . 2 . . . . A 10 LEU HB3 . 36261 1 107 . 1 . 1 13 13 LEU HG H 1 1.6740 0.0000 . 1 . . . . A 10 LEU HG . 36261 1 108 . 1 . 1 13 13 LEU HD11 H 1 0.8750 0.0000 . 2 . . . . A 10 LEU HD11 . 36261 1 109 . 1 . 1 13 13 LEU HD12 H 1 0.8750 0.0000 . 2 . . . . A 10 LEU HD12 . 36261 1 110 . 1 . 1 13 13 LEU HD13 H 1 0.8750 0.0000 . 2 . . . . A 10 LEU HD13 . 36261 1 111 . 1 . 1 13 13 LEU HD21 H 1 0.8550 0.0000 . 2 . . . . A 10 LEU HD21 . 36261 1 112 . 1 . 1 13 13 LEU HD22 H 1 0.8550 0.0000 . 2 . . . . A 10 LEU HD22 . 36261 1 113 . 1 . 1 13 13 LEU HD23 H 1 0.8550 0.0000 . 2 . . . . A 10 LEU HD23 . 36261 1 114 . 1 . 1 13 13 LEU C C 13 178.3900 0.0000 . 1 . . . . A 10 LEU C . 36261 1 115 . 1 . 1 13 13 LEU CA C 13 56.7900 0.0000 . 1 . . . . A 10 LEU CA . 36261 1 116 . 1 . 1 13 13 LEU CB C 13 41.6890 0.0000 . 1 . . . . A 10 LEU CB . 36261 1 117 . 1 . 1 13 13 LEU CG C 13 26.5890 0.0000 . 1 . . . . A 10 LEU CG . 36261 1 118 . 1 . 1 13 13 LEU CD1 C 13 24.4310 0.0000 . 2 . . . . A 10 LEU CD1 . 36261 1 119 . 1 . 1 13 13 LEU CD2 C 13 24.4310 0.0000 . 2 . . . . A 10 LEU CD2 . 36261 1 120 . 1 . 1 13 13 LEU N N 15 122.5250 0.0000 . 1 . . . . A 10 LEU N . 36261 1 121 . 1 . 1 14 14 GLY H H 1 8.8830 0.0000 . 1 . . . . A 11 GLY H . 36261 1 122 . 1 . 1 14 14 GLY HA2 H 1 3.6500 0.0000 . 2 . . . . A 11 GLY HA2 . 36261 1 123 . 1 . 1 14 14 GLY HA3 H 1 4.2780 0.0000 . 2 . . . . A 11 GLY HA3 . 36261 1 124 . 1 . 1 14 14 GLY C C 13 173.9850 0.0000 . 1 . . . . A 11 GLY C . 36261 1 125 . 1 . 1 14 14 GLY CA C 13 45.4640 0.0000 . 1 . . . . A 11 GLY CA . 36261 1 126 . 1 . 1 14 14 GLY N N 15 116.3750 0.0000 . 1 . . . . A 11 GLY N . 36261 1 127 . 1 . 1 15 15 GLY H H 1 8.6720 0.0000 . 1 . . . . A 12 GLY H . 36261 1 128 . 1 . 1 15 15 GLY HA2 H 1 3.9980 0.0000 . 2 . . . . A 12 GLY HA2 . 36261 1 129 . 1 . 1 15 15 GLY HA3 H 1 4.2150 0.0000 . 2 . . . . A 12 GLY HA3 . 36261 1 130 . 1 . 1 15 15 GLY C C 13 172.5190 0.0000 . 1 . . . . A 12 GLY C . 36261 1 131 . 1 . 1 15 15 GLY CA C 13 45.7430 0.0000 . 1 . . . . A 12 GLY CA . 36261 1 132 . 1 . 1 15 15 GLY N N 15 110.1850 0.0000 . 1 . . . . A 12 GLY N . 36261 1 133 . 1 . 1 16 16 ARG H H 1 8.3690 0.0000 . 1 . . . . A 13 ARG H . 36261 1 134 . 1 . 1 16 16 ARG HA H 1 5.0580 0.0000 . 1 . . . . A 13 ARG HA . 36261 1 135 . 1 . 1 16 16 ARG HB2 H 1 1.5720 0.0000 . 2 . . . . A 13 ARG HB2 . 36261 1 136 . 1 . 1 16 16 ARG HB3 H 1 1.6450 0.0000 . 2 . . . . A 13 ARG HB3 . 36261 1 137 . 1 . 1 16 16 ARG HG2 H 1 1.4330 0.0000 . 2 . . . . A 13 ARG HG2 . 36261 1 138 . 1 . 1 16 16 ARG HG3 H 1 1.6130 0.0000 . 2 . . . . A 13 ARG HG3 . 36261 1 139 . 1 . 1 16 16 ARG HD2 H 1 2.4620 0.0000 . 2 . . . . A 13 ARG HD2 . 36261 1 140 . 1 . 1 16 16 ARG HD3 H 1 2.6020 0.0000 . 2 . . . . A 13 ARG HD3 . 36261 1 141 . 1 . 1 16 16 ARG C C 13 176.3110 0.0000 . 1 . . . . A 13 ARG C . 36261 1 142 . 1 . 1 16 16 ARG CA C 13 55.3510 0.0000 . 1 . . . . A 13 ARG CA . 36261 1 143 . 1 . 1 16 16 ARG CB C 13 32.3410 0.0000 . 1 . . . . A 13 ARG CB . 36261 1 144 . 1 . 1 16 16 ARG CG C 13 26.5890 0.0000 . 1 . . . . A 13 ARG CG . 36261 1 145 . 1 . 1 16 16 ARG CD C 13 43.1270 0.0000 . 1 . . . . A 13 ARG CD . 36261 1 146 . 1 . 1 16 16 ARG N N 15 119.4390 0.0000 . 1 . . . . A 13 ARG N . 36261 1 147 . 1 . 1 17 17 CYS H H 1 8.7960 0.0000 . 1 . . . . A 14 CYS H . 36261 1 148 . 1 . 1 17 17 CYS HA H 1 5.0220 0.0000 . 1 . . . . A 14 CYS HA . 36261 1 149 . 1 . 1 17 17 CYS HB3 H 1 3.0350 0.0000 . 2 . . . . A 14 CYS HB3 . 36261 1 150 . 1 . 1 17 17 CYS C C 13 171.3200 0.0000 . 1 . . . . A 14 CYS C . 36261 1 151 . 1 . 1 17 17 CYS CA C 13 56.4300 0.0000 . 1 . . . . A 14 CYS CA . 36261 1 152 . 1 . 1 17 17 CYS CB C 13 30.8520 0.0000 . 1 . . . . A 14 CYS CB . 36261 1 153 . 1 . 1 17 17 CYS N N 15 117.2610 0.0000 . 1 . . . . A 14 CYS N . 36261 1 154 . 1 . 1 18 18 LEU H H 1 8.8030 0.0000 . 1 . . . . A 15 LEU H . 36261 1 155 . 1 . 1 18 18 LEU HA H 1 5.1870 0.0000 . 1 . . . . A 15 LEU HA . 36261 1 156 . 1 . 1 18 18 LEU HB2 H 1 0.9910 0.0000 . 2 . . . . A 15 LEU HB2 . 36261 1 157 . 1 . 1 18 18 LEU HB3 H 1 1.3740 0.0000 . 2 . . . . A 15 LEU HB3 . 36261 1 158 . 1 . 1 18 18 LEU HG H 1 1.5040 0.0000 . 1 . . . . A 15 LEU HG . 36261 1 159 . 1 . 1 18 18 LEU HD11 H 1 0.6830 0.0000 . 2 . . . . A 15 LEU HD11 . 36261 1 160 . 1 . 1 18 18 LEU HD12 H 1 0.6830 0.0000 . 2 . . . . A 15 LEU HD12 . 36261 1 161 . 1 . 1 18 18 LEU HD13 H 1 0.6830 0.0000 . 2 . . . . A 15 LEU HD13 . 36261 1 162 . 1 . 1 18 18 LEU HD21 H 1 0.7800 0.0000 . 2 . . . . A 15 LEU HD21 . 36261 1 163 . 1 . 1 18 18 LEU HD22 H 1 0.7800 0.0000 . 2 . . . . A 15 LEU HD22 . 36261 1 164 . 1 . 1 18 18 LEU HD23 H 1 0.7800 0.0000 . 2 . . . . A 15 LEU HD23 . 36261 1 165 . 1 . 1 18 18 LEU C C 13 174.7980 0.0000 . 1 . . . . A 15 LEU C . 36261 1 166 . 1 . 1 18 18 LEU CA C 13 53.1800 0.0000 . 1 . . . . A 15 LEU CA . 36261 1 167 . 1 . 1 18 18 LEU CB C 13 46.0030 0.0000 . 1 . . . . A 15 LEU CB . 36261 1 168 . 1 . 1 18 18 LEU CG C 13 27.6280 0.0000 . 1 . . . . A 15 LEU CG . 36261 1 169 . 1 . 1 18 18 LEU CD1 C 13 26.6580 0.0000 . 2 . . . . A 15 LEU CD1 . 36261 1 170 . 1 . 1 18 18 LEU CD2 C 13 24.4310 0.0000 . 2 . . . . A 15 LEU CD2 . 36261 1 171 . 1 . 1 18 18 LEU N N 15 120.0800 0.0000 . 1 . . . . A 15 LEU N . 36261 1 172 . 1 . 1 19 19 ALA H H 1 9.1540 0.0000 . 1 . . . . A 16 ALA H . 36261 1 173 . 1 . 1 19 19 ALA HA H 1 5.4100 0.0000 . 1 . . . . A 16 ALA HA . 36261 1 174 . 1 . 1 19 19 ALA HB1 H 1 1.0980 0.0000 . 1 . . . . A 16 ALA HB1 . 36261 1 175 . 1 . 1 19 19 ALA HB2 H 1 1.0980 0.0000 . 1 . . . . A 16 ALA HB2 . 36261 1 176 . 1 . 1 19 19 ALA HB3 H 1 1.0980 0.0000 . 1 . . . . A 16 ALA HB3 . 36261 1 177 . 1 . 1 19 19 ALA C C 13 177.4720 0.0000 . 1 . . . . A 16 ALA C . 36261 1 178 . 1 . 1 19 19 ALA CA C 13 50.1830 0.0000 . 1 . . . . A 16 ALA CA . 36261 1 179 . 1 . 1 19 19 ALA CB C 13 23.0860 0.0000 . 1 . . . . A 16 ALA CB . 36261 1 180 . 1 . 1 19 19 ALA N N 15 123.2880 0.0000 . 1 . . . . A 16 ALA N . 36261 1 181 . 1 . 1 20 20 PHE H H 1 8.8700 0.0000 . 1 . . . . A 17 PHE H . 36261 1 182 . 1 . 1 20 20 PHE HA H 1 5.0210 0.0000 . 1 . . . . A 17 PHE HA . 36261 1 183 . 1 . 1 20 20 PHE HB2 H 1 2.7590 0.0000 . 2 . . . . A 17 PHE HB2 . 36261 1 184 . 1 . 1 20 20 PHE HB3 H 1 3.3350 0.0000 . 2 . . . . A 17 PHE HB3 . 36261 1 185 . 1 . 1 20 20 PHE HD1 H 1 7.1880 0.0000 . 3 . . . . A 17 PHE HD1 . 36261 1 186 . 1 . 1 20 20 PHE HE1 H 1 7.1960 0.0000 . 3 . . . . A 17 PHE HE1 . 36261 1 187 . 1 . 1 20 20 PHE C C 13 176.9940 0.0000 . 1 . . . . A 17 PHE C . 36261 1 188 . 1 . 1 20 20 PHE CA C 13 58.9470 0.0000 . 1 . . . . A 17 PHE CA . 36261 1 189 . 1 . 1 20 20 PHE CB C 13 40.4350 0.0000 . 1 . . . . A 17 PHE CB . 36261 1 190 . 1 . 1 20 20 PHE CD1 C 13 132.1450 0.0000 . 3 . . . . A 17 PHE CD1 . 36261 1 191 . 1 . 1 20 20 PHE CE1 C 13 130.1110 0.0000 . 3 . . . . A 17 PHE CE1 . 36261 1 192 . 1 . 1 20 20 PHE N N 15 121.9770 0.0000 . 1 . . . . A 17 PHE N . 36261 1 193 . 1 . 1 21 21 HIS H H 1 8.8620 0.0000 . 1 . . . . A 18 HIS H . 36261 1 194 . 1 . 1 21 21 HIS HA H 1 4.6370 0.0000 . 1 . . . . A 18 HIS HA . 36261 1 195 . 1 . 1 21 21 HIS HB2 H 1 2.8610 0.0000 . 2 . . . . A 18 HIS HB2 . 36261 1 196 . 1 . 1 21 21 HIS HB3 H 1 3.2590 0.0000 . 2 . . . . A 18 HIS HB3 . 36261 1 197 . 1 . 1 21 21 HIS HD2 H 1 6.9380 0.0000 . 1 . . . . A 18 HIS HD2 . 36261 1 198 . 1 . 1 21 21 HIS HE1 H 1 7.8990 0.0000 . 1 . . . . A 18 HIS HE1 . 36261 1 199 . 1 . 1 21 21 HIS C C 13 175.4880 0.0000 . 1 . . . . A 18 HIS C . 36261 1 200 . 1 . 1 21 21 HIS CA C 13 57.5090 0.0000 . 1 . . . . A 18 HIS CA . 36261 1 201 . 1 . 1 21 21 HIS CB C 13 30.1840 0.0000 . 1 . . . . A 18 HIS CB . 36261 1 202 . 1 . 1 21 21 HIS CD2 C 13 121.2370 0.0000 . 1 . . . . A 18 HIS CD2 . 36261 1 203 . 1 . 1 21 21 HIS CE1 C 13 137.8390 0.0000 . 1 . . . . A 18 HIS CE1 . 36261 1 204 . 1 . 1 21 21 HIS N N 15 125.5610 0.0000 . 1 . . . . A 18 HIS N . 36261 1 205 . 1 . 1 22 22 GLY H H 1 8.9190 0.0000 . 1 . . . . A 19 GLY H . 36261 1 206 . 1 . 1 22 22 GLY N N 15 119.1410 0.0000 . 1 . . . . A 19 GLY N . 36261 1 207 . 1 . 1 23 23 PRO HA H 1 4.6200 0.0000 . 1 . . . . A 20 PRO HA . 36261 1 208 . 1 . 1 23 23 PRO HB2 H 1 2.1970 0.0000 . 2 . . . . A 20 PRO HB2 . 36261 1 209 . 1 . 1 23 23 PRO HB3 H 1 2.3730 0.0000 . 2 . . . . A 20 PRO HB3 . 36261 1 210 . 1 . 1 23 23 PRO HG2 H 1 1.8840 0.0000 . 2 . . . . A 20 PRO HG2 . 36261 1 211 . 1 . 1 23 23 PRO HG3 H 1 1.9830 0.0000 . 2 . . . . A 20 PRO HG3 . 36261 1 212 . 1 . 1 23 23 PRO HD2 H 1 3.5000 0.0000 . 2 . . . . A 20 PRO HD2 . 36261 1 213 . 1 . 1 23 23 PRO HD3 H 1 3.6280 0.0000 . 2 . . . . A 20 PRO HD3 . 36261 1 214 . 1 . 1 23 23 PRO C C 13 175.4830 0.0000 . 1 . . . . A 20 PRO C . 36261 1 215 . 1 . 1 23 23 PRO CA C 13 63.2610 0.0000 . 1 . . . . A 20 PRO CA . 36261 1 216 . 1 . 1 23 23 PRO CB C 13 34.4990 0.0000 . 1 . . . . A 20 PRO CB . 36261 1 217 . 1 . 1 23 23 PRO CG C 13 24.4310 0.0000 . 1 . . . . A 20 PRO CG . 36261 1 218 . 1 . 1 23 23 PRO CD C 13 49.8040 0.0000 . 1 . . . . A 20 PRO CD . 36261 1 219 . 1 . 1 24 24 LEU H H 1 7.0250 0.0000 . 1 . . . . A 21 LEU H . 36261 1 220 . 1 . 1 24 24 LEU HA H 1 4.6560 0.0000 . 1 . . . . A 21 LEU HA . 36261 1 221 . 1 . 1 24 24 LEU HB2 H 1 1.7760 0.0000 . 1 . . . . A 21 LEU HB2 . 36261 1 222 . 1 . 1 24 24 LEU HB3 H 1 1.2080 0.0000 . 1 . . . . A 21 LEU HB3 . 36261 1 223 . 1 . 1 24 24 LEU HG H 1 1.5970 0.0000 . 1 . . . . A 21 LEU HG . 36261 1 224 . 1 . 1 24 24 LEU HD11 H 1 0.9650 0.0000 . 1 . . . . A 21 LEU HD11 . 36261 1 225 . 1 . 1 24 24 LEU HD12 H 1 0.9650 0.0000 . 1 . . . . A 21 LEU HD12 . 36261 1 226 . 1 . 1 24 24 LEU HD13 H 1 0.9650 0.0000 . 1 . . . . A 21 LEU HD13 . 36261 1 227 . 1 . 1 24 24 LEU HD21 H 1 0.8310 0.0000 . 1 . . . . A 21 LEU HD21 . 36261 1 228 . 1 . 1 24 24 LEU HD22 H 1 0.8310 0.0000 . 1 . . . . A 21 LEU HD22 . 36261 1 229 . 1 . 1 24 24 LEU HD23 H 1 0.8310 0.0000 . 1 . . . . A 21 LEU HD23 . 36261 1 230 . 1 . 1 24 24 LEU C C 13 174.3680 0.0000 . 1 . . . . A 21 LEU C . 36261 1 231 . 1 . 1 24 24 LEU CA C 13 53.1940 0.0000 . 1 . . . . A 21 LEU CA . 36261 1 232 . 1 . 1 24 24 LEU CB C 13 44.2050 0.0000 . 1 . . . . A 21 LEU CB . 36261 1 233 . 1 . 1 24 24 LEU CG C 13 27.3080 0.0000 . 1 . . . . A 21 LEU CG . 36261 1 234 . 1 . 1 24 24 LEU CD1 C 13 25.1510 0.0000 . 1 . . . . A 21 LEU CD1 . 36261 1 235 . 1 . 1 24 24 LEU CD2 C 13 22.9930 0.0000 . 1 . . . . A 21 LEU CD2 . 36261 1 236 . 1 . 1 24 24 LEU N N 15 118.0590 0.0000 . 1 . . . . A 21 LEU N . 36261 1 237 . 1 . 1 25 25 MET H H 1 7.7610 0.0000 . 1 . . . . A 22 MET H . 36261 1 238 . 1 . 1 25 25 MET HA H 1 4.5850 0.0000 . 1 . . . . A 22 MET HA . 36261 1 239 . 1 . 1 25 25 MET HB3 H 1 1.2400 0.0000 . 2 . . . . A 22 MET HB3 . 36261 1 240 . 1 . 1 25 25 MET HG3 H 1 1.3380 0.0000 . 2 . . . . A 22 MET HG3 . 36261 1 241 . 1 . 1 25 25 MET HE1 H 1 0.7120 0.0000 . 1 . . . . A 22 MET HE1 . 36261 1 242 . 1 . 1 25 25 MET HE2 H 1 0.7120 0.0000 . 1 . . . . A 22 MET HE2 . 36261 1 243 . 1 . 1 25 25 MET HE3 H 1 0.7120 0.0000 . 1 . . . . A 22 MET HE3 . 36261 1 244 . 1 . 1 25 25 MET C C 13 175.0540 0.0000 . 1 . . . . A 22 MET C . 36261 1 245 . 1 . 1 25 25 MET CA C 13 53.9130 0.0000 . 1 . . . . A 22 MET CA . 36261 1 246 . 1 . 1 25 25 MET CB C 13 38.0940 0.0000 . 1 . . . . A 22 MET CB . 36261 1 247 . 1 . 1 25 25 MET CG C 13 38.0940 0.0000 . 1 . . . . A 22 MET CG . 36261 1 248 . 1 . 1 25 25 MET CE C 13 31.6220 0.0000 . 1 . . . . A 22 MET CE . 36261 1 249 . 1 . 1 25 25 MET N N 15 115.9420 0.0000 . 1 . . . . A 22 MET N . 36261 1 250 . 1 . 1 26 26 TYR H H 1 8.7330 0.0000 . 1 . . . . A 23 TYR H . 36261 1 251 . 1 . 1 26 26 TYR HA H 1 4.5540 0.0000 . 1 . . . . A 23 TYR HA . 36261 1 252 . 1 . 1 26 26 TYR HB2 H 1 2.4570 0.0000 . 1 . . . . A 23 TYR HB2 . 36261 1 253 . 1 . 1 26 26 TYR HB3 H 1 3.2420 0.0000 . 1 . . . . A 23 TYR HB3 . 36261 1 254 . 1 . 1 26 26 TYR HD1 H 1 7.1660 0.0000 . 3 . . . . A 23 TYR HD1 . 36261 1 255 . 1 . 1 26 26 TYR HE1 H 1 7.0220 0.0000 . 3 . . . . A 23 TYR HE1 . 36261 1 256 . 1 . 1 26 26 TYR C C 13 175.2980 0.0000 . 1 . . . . A 23 TYR C . 36261 1 257 . 1 . 1 26 26 TYR CA C 13 56.7900 0.0000 . 1 . . . . A 23 TYR CA . 36261 1 258 . 1 . 1 26 26 TYR CB C 13 42.4080 0.0000 . 1 . . . . A 23 TYR CB . 36261 1 259 . 1 . 1 26 26 TYR CD1 C 13 134.1660 0.0000 . 3 . . . . A 23 TYR CD1 . 36261 1 260 . 1 . 1 26 26 TYR CE1 C 13 118.4860 0.0000 . 3 . . . . A 23 TYR CE1 . 36261 1 261 . 1 . 1 26 26 TYR N N 15 118.5430 0.0000 . 1 . . . . A 23 TYR N . 36261 1 262 . 1 . 1 27 27 GLU H H 1 9.0700 0.0000 . 1 . . . . A 24 GLU H . 36261 1 263 . 1 . 1 27 27 GLU HA H 1 4.5790 0.0000 . 1 . . . . A 24 GLU HA . 36261 1 264 . 1 . 1 27 27 GLU HB2 H 1 2.0280 0.0000 . 2 . . . . A 24 GLU HB2 . 36261 1 265 . 1 . 1 27 27 GLU HB3 H 1 2.1170 0.0000 . 2 . . . . A 24 GLU HB3 . 36261 1 266 . 1 . 1 27 27 GLU HG2 H 1 2.2760 0.0000 . 2 . . . . A 24 GLU HG2 . 36261 1 267 . 1 . 1 27 27 GLU HG3 H 1 2.3870 0.0000 . 2 . . . . A 24 GLU HG3 . 36261 1 268 . 1 . 1 27 27 GLU C C 13 175.4520 0.0000 . 1 . . . . A 24 GLU C . 36261 1 269 . 1 . 1 27 27 GLU CA C 13 58.4080 0.0000 . 1 . . . . A 24 GLU CA . 36261 1 270 . 1 . 1 27 27 GLU CB C 13 29.8240 0.0000 . 1 . . . . A 24 GLU CB . 36261 1 271 . 1 . 1 27 27 GLU CG C 13 37.3750 0.0000 . 1 . . . . A 24 GLU CG . 36261 1 272 . 1 . 1 27 27 GLU N N 15 123.2840 0.0000 . 1 . . . . A 24 GLU N . 36261 1 273 . 1 . 1 28 28 ALA H H 1 8.8950 0.0000 . 1 . . . . A 25 ALA H . 36261 1 274 . 1 . 1 28 28 ALA HA H 1 5.0910 0.0000 . 1 . . . . A 25 ALA HA . 36261 1 275 . 1 . 1 28 28 ALA HB1 H 1 0.7610 0.0000 . 1 . . . . A 25 ALA HB1 . 36261 1 276 . 1 . 1 28 28 ALA HB2 H 1 0.7610 0.0000 . 1 . . . . A 25 ALA HB2 . 36261 1 277 . 1 . 1 28 28 ALA HB3 H 1 0.7610 0.0000 . 1 . . . . A 25 ALA HB3 . 36261 1 278 . 1 . 1 28 28 ALA C C 13 175.0280 0.0000 . 1 . . . . A 25 ALA C . 36261 1 279 . 1 . 1 28 28 ALA CA C 13 50.3180 0.0000 . 1 . . . . A 25 ALA CA . 36261 1 280 . 1 . 1 28 28 ALA CB C 13 25.1510 0.0000 . 1 . . . . A 25 ALA CB . 36261 1 281 . 1 . 1 28 28 ALA N N 15 129.1360 0.0000 . 1 . . . . A 25 ALA N . 36261 1 282 . 1 . 1 29 29 LYS H H 1 8.6330 0.0000 . 1 . . . . A 26 LYS H . 36261 1 283 . 1 . 1 29 29 LYS HA H 1 5.1460 0.0000 . 1 . . . . A 26 LYS HA . 36261 1 284 . 1 . 1 29 29 LYS HB2 H 1 1.5350 0.0000 . 2 . . . . A 26 LYS HB2 . 36261 1 285 . 1 . 1 29 29 LYS HB3 H 1 1.6730 0.0000 . 2 . . . . A 26 LYS HB3 . 36261 1 286 . 1 . 1 29 29 LYS HG2 H 1 1.0790 0.0000 . 2 . . . . A 26 LYS HG2 . 36261 1 287 . 1 . 1 29 29 LYS HG3 H 1 1.2350 0.0000 . 2 . . . . A 26 LYS HG3 . 36261 1 288 . 1 . 1 29 29 LYS HD3 H 1 1.6120 0.0000 . 2 . . . . A 26 LYS HD3 . 36261 1 289 . 1 . 1 29 29 LYS HE2 H 1 2.8070 0.0000 . 2 . . . . A 26 LYS HE2 . 36261 1 290 . 1 . 1 29 29 LYS HE3 H 1 2.8990 0.0000 . 2 . . . . A 26 LYS HE3 . 36261 1 291 . 1 . 1 29 29 LYS CA C 13 53.9130 0.0000 . 1 . . . . A 26 LYS CA . 36261 1 292 . 1 . 1 29 29 LYS CB C 13 36.6560 0.0000 . 1 . . . . A 26 LYS CB . 36261 1 293 . 1 . 1 29 29 LYS CG C 13 25.1510 0.0000 . 1 . . . . A 26 LYS CG . 36261 1 294 . 1 . 1 29 29 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 26 LYS CD . 36261 1 295 . 1 . 1 29 29 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 26 LYS CE . 36261 1 296 . 1 . 1 29 29 LYS N N 15 121.9910 0.0000 . 1 . . . . A 26 LYS N . 36261 1 297 . 1 . 1 30 30 ILE H H 1 8.4320 0.0000 . 1 . . . . A 27 ILE H . 36261 1 298 . 1 . 1 30 30 ILE HA H 1 3.9010 0.0000 . 1 . . . . A 27 ILE HA . 36261 1 299 . 1 . 1 30 30 ILE HB H 1 2.0880 0.0000 . 1 . . . . A 27 ILE HB . 36261 1 300 . 1 . 1 30 30 ILE HG13 H 1 1.6160 0.0000 . 2 . . . . A 27 ILE HG13 . 36261 1 301 . 1 . 1 30 30 ILE HG21 H 1 0.9970 0.0000 . 1 . . . . A 27 ILE HG21 . 36261 1 302 . 1 . 1 30 30 ILE HG22 H 1 0.9970 0.0000 . 1 . . . . A 27 ILE HG22 . 36261 1 303 . 1 . 1 30 30 ILE HG23 H 1 0.9970 0.0000 . 1 . . . . A 27 ILE HG23 . 36261 1 304 . 1 . 1 30 30 ILE HD11 H 1 0.7200 0.0000 . 1 . . . . A 27 ILE HD11 . 36261 1 305 . 1 . 1 30 30 ILE HD12 H 1 0.7200 0.0000 . 1 . . . . A 27 ILE HD12 . 36261 1 306 . 1 . 1 30 30 ILE HD13 H 1 0.7200 0.0000 . 1 . . . . A 27 ILE HD13 . 36261 1 307 . 1 . 1 30 30 ILE C C 13 175.3940 0.0000 . 1 . . . . A 27 ILE C . 36261 1 308 . 1 . 1 30 30 ILE CA C 13 62.5420 0.0000 . 1 . . . . A 27 ILE CA . 36261 1 309 . 1 . 1 30 30 ILE CB C 13 38.5730 0.0000 . 1 . . . . A 27 ILE CB . 36261 1 310 . 1 . 1 30 30 ILE CG1 C 13 29.5110 0.0000 . 1 . . . . A 27 ILE CG1 . 36261 1 311 . 1 . 1 30 30 ILE CG2 C 13 19.3980 0.0000 . 1 . . . . A 27 ILE CG2 . 36261 1 312 . 1 . 1 30 30 ILE CD1 C 13 14.3650 0.0000 . 1 . . . . A 27 ILE CD1 . 36261 1 313 . 1 . 1 30 30 ILE N N 15 126.0740 0.0000 . 1 . . . . A 27 ILE N . 36261 1 314 . 1 . 1 31 31 LEU H H 1 9.4310 0.0000 . 1 . . . . A 28 LEU H . 36261 1 315 . 1 . 1 31 31 LEU HA H 1 4.6590 0.0000 . 1 . . . . A 28 LEU HA . 36261 1 316 . 1 . 1 31 31 LEU HB3 H 1 -0.0190 0.0000 . 2 . . . . A 28 LEU HB3 . 36261 1 317 . 1 . 1 31 31 LEU HG H 1 1.6850 0.0000 . 1 . . . . A 28 LEU HG . 36261 1 318 . 1 . 1 31 31 LEU HD11 H 1 0.8520 0.0000 . 2 . . . . A 28 LEU HD11 . 36261 1 319 . 1 . 1 31 31 LEU HD12 H 1 0.8520 0.0000 . 2 . . . . A 28 LEU HD12 . 36261 1 320 . 1 . 1 31 31 LEU HD13 H 1 0.8520 0.0000 . 2 . . . . A 28 LEU HD13 . 36261 1 321 . 1 . 1 31 31 LEU HD21 H 1 0.7710 0.0000 . 2 . . . . A 28 LEU HD21 . 36261 1 322 . 1 . 1 31 31 LEU HD22 H 1 0.7710 0.0000 . 2 . . . . A 28 LEU HD22 . 36261 1 323 . 1 . 1 31 31 LEU HD23 H 1 0.7710 0.0000 . 2 . . . . A 28 LEU HD23 . 36261 1 324 . 1 . 1 31 31 LEU C C 13 177.0000 0.0000 . 1 . . . . A 28 LEU C . 36261 1 325 . 1 . 1 31 31 LEU CA C 13 56.0710 0.0000 . 1 . . . . A 28 LEU CA . 36261 1 326 . 1 . 1 31 31 LEU CB C 13 38.8130 0.0000 . 1 . . . . A 28 LEU CB . 36261 1 327 . 1 . 1 31 31 LEU CG C 13 27.3080 0.0000 . 1 . . . . A 28 LEU CG . 36261 1 328 . 1 . 1 31 31 LEU CD1 C 13 25.1510 0.0000 . 2 . . . . A 28 LEU CD1 . 36261 1 329 . 1 . 1 31 31 LEU CD2 C 13 22.2740 0.0000 . 2 . . . . A 28 LEU CD2 . 36261 1 330 . 1 . 1 31 31 LEU N N 15 130.0400 0.0000 . 1 . . . . A 28 LEU N . 36261 1 331 . 1 . 1 32 32 LYS H H 1 7.6780 0.0000 . 1 . . . . A 29 LYS H . 36261 1 332 . 1 . 1 32 32 LYS HA H 1 5.6360 0.0000 . 1 . . . . A 29 LYS HA . 36261 1 333 . 1 . 1 32 32 LYS HB2 H 1 1.3360 0.0000 . 2 . . . . A 29 LYS HB2 . 36261 1 334 . 1 . 1 32 32 LYS HB3 H 1 1.7810 0.0000 . 2 . . . . A 29 LYS HB3 . 36261 1 335 . 1 . 1 32 32 LYS HG3 H 1 1.7000 0.0000 . 2 . . . . A 29 LYS HG3 . 36261 1 336 . 1 . 1 32 32 LYS HD2 H 1 0.2110 0.0000 . 2 . . . . A 29 LYS HD2 . 36261 1 337 . 1 . 1 32 32 LYS HD3 H 1 0.4780 0.0000 . 2 . . . . A 29 LYS HD3 . 36261 1 338 . 1 . 1 32 32 LYS HE2 H 1 2.1400 0.0000 . 2 . . . . A 29 LYS HE2 . 36261 1 339 . 1 . 1 32 32 LYS HE3 H 1 2.4670 0.0000 . 2 . . . . A 29 LYS HE3 . 36261 1 340 . 1 . 1 32 32 LYS C C 13 176.1130 0.0000 . 1 . . . . A 29 LYS C . 36261 1 341 . 1 . 1 32 32 LYS CA C 13 54.6320 0.0000 . 1 . . . . A 29 LYS CA . 36261 1 342 . 1 . 1 32 32 LYS CB C 13 38.0940 0.0000 . 1 . . . . A 29 LYS CB . 36261 1 343 . 1 . 1 32 32 LYS CG C 13 26.5890 0.0000 . 1 . . . . A 29 LYS CG . 36261 1 344 . 1 . 1 32 32 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 29 LYS CD . 36261 1 345 . 1 . 1 32 32 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 29 LYS CE . 36261 1 346 . 1 . 1 32 32 LYS N N 15 113.2300 0.0000 . 1 . . . . A 29 LYS N . 36261 1 347 . 1 . 1 33 33 ILE H H 1 8.5940 0.0000 . 1 . . . . A 30 ILE H . 36261 1 348 . 1 . 1 33 33 ILE HA H 1 4.8510 0.0000 . 1 . . . . A 30 ILE HA . 36261 1 349 . 1 . 1 33 33 ILE HB H 1 1.7550 0.0000 . 1 . . . . A 30 ILE HB . 36261 1 350 . 1 . 1 33 33 ILE HG12 H 1 1.2080 0.0000 . 2 . . . . A 30 ILE HG12 . 36261 1 351 . 1 . 1 33 33 ILE HG13 H 1 1.6020 0.0000 . 2 . . . . A 30 ILE HG13 . 36261 1 352 . 1 . 1 33 33 ILE HG21 H 1 0.8360 0.0000 . 1 . . . . A 30 ILE HG21 . 36261 1 353 . 1 . 1 33 33 ILE HG22 H 1 0.8360 0.0000 . 1 . . . . A 30 ILE HG22 . 36261 1 354 . 1 . 1 33 33 ILE HG23 H 1 0.8360 0.0000 . 1 . . . . A 30 ILE HG23 . 36261 1 355 . 1 . 1 33 33 ILE HD11 H 1 1.0260 0.0000 . 1 . . . . A 30 ILE HD11 . 36261 1 356 . 1 . 1 33 33 ILE HD12 H 1 1.0260 0.0000 . 1 . . . . A 30 ILE HD12 . 36261 1 357 . 1 . 1 33 33 ILE HD13 H 1 1.0260 0.0000 . 1 . . . . A 30 ILE HD13 . 36261 1 358 . 1 . 1 33 33 ILE C C 13 175.6600 0.0000 . 1 . . . . A 30 ILE C . 36261 1 359 . 1 . 1 33 33 ILE CA C 13 61.8230 0.0000 . 1 . . . . A 30 ILE CA . 36261 1 360 . 1 . 1 33 33 ILE CB C 13 41.6890 0.0000 . 1 . . . . A 30 ILE CB . 36261 1 361 . 1 . 1 33 33 ILE CG1 C 13 28.0270 0.0000 . 1 . . . . A 30 ILE CG1 . 36261 1 362 . 1 . 1 33 33 ILE CG2 C 13 17.2410 0.0000 . 1 . . . . A 30 ILE CG2 . 36261 1 363 . 1 . 1 33 33 ILE CD1 C 13 13.6460 0.0000 . 1 . . . . A 30 ILE CD1 . 36261 1 364 . 1 . 1 33 33 ILE N N 15 120.4520 0.0000 . 1 . . . . A 30 ILE N . 36261 1 365 . 1 . 1 34 34 TRP H H 1 9.3050 0.0000 . 1 . . . . A 31 TRP H . 36261 1 366 . 1 . 1 34 34 TRP HA H 1 4.9690 0.0000 . 1 . . . . A 31 TRP HA . 36261 1 367 . 1 . 1 34 34 TRP HB3 H 1 3.0200 0.0000 . 2 . . . . A 31 TRP HB3 . 36261 1 368 . 1 . 1 34 34 TRP HD1 H 1 7.4310 0.0000 . 1 . . . . A 31 TRP HD1 . 36261 1 369 . 1 . 1 34 34 TRP HE1 H 1 10.3850 0.0000 . 1 . . . . A 31 TRP HE1 . 36261 1 370 . 1 . 1 34 34 TRP HE3 H 1 7.1880 0.0000 . 1 . . . . A 31 TRP HE3 . 36261 1 371 . 1 . 1 34 34 TRP HZ2 H 1 7.2090 0.0000 . 1 . . . . A 31 TRP HZ2 . 36261 1 372 . 1 . 1 34 34 TRP HZ3 H 1 7.0140 0.0000 . 1 . . . . A 31 TRP HZ3 . 36261 1 373 . 1 . 1 34 34 TRP HH2 H 1 6.9600 0.0000 . 1 . . . . A 31 TRP HH2 . 36261 1 374 . 1 . 1 34 34 TRP C C 13 173.1530 0.0000 . 1 . . . . A 31 TRP C . 36261 1 375 . 1 . 1 34 34 TRP CA C 13 56.7900 0.0000 . 1 . . . . A 31 TRP CA . 36261 1 376 . 1 . 1 34 34 TRP CB C 13 32.3420 0.0000 . 1 . . . . A 31 TRP CB . 36261 1 377 . 1 . 1 34 34 TRP CD1 C 13 129.0440 0.0000 . 1 . . . . A 31 TRP CD1 . 36261 1 378 . 1 . 1 34 34 TRP CE3 C 13 120.9710 0.0000 . 1 . . . . A 31 TRP CE3 . 36261 1 379 . 1 . 1 34 34 TRP CZ2 C 13 114.8740 0.0000 . 1 . . . . A 31 TRP CZ2 . 36261 1 380 . 1 . 1 34 34 TRP CZ3 C 13 121.2150 0.0000 . 1 . . . . A 31 TRP CZ3 . 36261 1 381 . 1 . 1 34 34 TRP CH2 C 13 124.0050 0.0000 . 1 . . . . A 31 TRP CH2 . 36261 1 382 . 1 . 1 34 34 TRP N N 15 132.3640 0.0000 . 1 . . . . A 31 TRP N . 36261 1 383 . 1 . 1 34 34 TRP NE1 N 15 129.8240 0.0000 . 1 . . . . A 31 TRP NE1 . 36261 1 384 . 1 . 1 35 35 ASP H H 1 7.9490 0.0000 . 1 . . . . A 32 ASP H . 36261 1 385 . 1 . 1 35 35 ASP HA H 1 5.0280 0.0000 . 1 . . . . A 32 ASP HA . 36261 1 386 . 1 . 1 35 35 ASP HB2 H 1 2.4110 0.0000 . 2 . . . . A 32 ASP HB2 . 36261 1 387 . 1 . 1 35 35 ASP HB3 H 1 2.9720 0.0000 . 2 . . . . A 32 ASP HB3 . 36261 1 388 . 1 . 1 35 35 ASP CA C 13 48.8800 0.0000 . 1 . . . . A 32 ASP CA . 36261 1 389 . 1 . 1 35 35 ASP CB C 13 42.4080 0.0000 . 1 . . . . A 32 ASP CB . 36261 1 390 . 1 . 1 35 35 ASP N N 15 127.4620 0.0000 . 1 . . . . A 32 ASP N . 36261 1 391 . 1 . 1 36 36 PRO HA H 1 3.8550 0.0000 . 1 . . . . A 33 PRO HA . 36261 1 392 . 1 . 1 36 36 PRO HB3 H 1 2.4270 0.0000 . 2 . . . . A 33 PRO HB3 . 36261 1 393 . 1 . 1 36 36 PRO HG2 H 1 1.6700 0.0000 . 2 . . . . A 33 PRO HG2 . 36261 1 394 . 1 . 1 36 36 PRO HG3 H 1 1.8950 0.0000 . 2 . . . . A 33 PRO HG3 . 36261 1 395 . 1 . 1 36 36 PRO HD2 H 1 3.3930 0.0000 . 2 . . . . A 33 PRO HD2 . 36261 1 396 . 1 . 1 36 36 PRO HD3 H 1 4.0060 0.0000 . 2 . . . . A 33 PRO HD3 . 36261 1 397 . 1 . 1 36 36 PRO C C 13 177.5030 0.0000 . 1 . . . . A 33 PRO C . 36261 1 398 . 1 . 1 36 36 PRO CA C 13 63.2610 0.0000 . 1 . . . . A 33 PRO CA . 36261 1 399 . 1 . 1 36 36 PRO CB C 13 32.3410 0.0000 . 1 . . . . A 33 PRO CB . 36261 1 400 . 1 . 1 36 36 PRO CD C 13 50.3180 0.0000 . 1 . . . . A 33 PRO CD . 36261 1 401 . 1 . 1 37 37 SER H H 1 8.0340 0.0000 . 1 . . . . A 34 SER H . 36261 1 402 . 1 . 1 37 37 SER HA H 1 4.2890 0.0000 . 1 . . . . A 34 SER HA . 36261 1 403 . 1 . 1 37 37 SER HB3 H 1 3.9170 0.0000 . 2 . . . . A 34 SER HB3 . 36261 1 404 . 1 . 1 37 37 SER C C 13 175.2880 0.0000 . 1 . . . . A 34 SER C . 36261 1 405 . 1 . 1 37 37 SER CA C 13 60.3850 0.0000 . 1 . . . . A 34 SER CA . 36261 1 406 . 1 . 1 37 37 SER CB C 13 62.5420 0.0000 . 1 . . . . A 34 SER CB . 36261 1 407 . 1 . 1 37 37 SER N N 15 116.8020 0.0000 . 1 . . . . A 34 SER N . 36261 1 408 . 1 . 1 38 38 SER H H 1 7.1890 0.0000 . 1 . . . . A 35 SER H . 36261 1 409 . 1 . 1 38 38 SER HA H 1 4.2320 0.0000 . 1 . . . . A 35 SER HA . 36261 1 410 . 1 . 1 38 38 SER HB2 H 1 3.6140 0.0000 . 2 . . . . A 35 SER HB2 . 36261 1 411 . 1 . 1 38 38 SER HB3 H 1 3.7200 0.0000 . 2 . . . . A 35 SER HB3 . 36261 1 412 . 1 . 1 38 38 SER C C 13 174.4860 0.0000 . 1 . . . . A 35 SER C . 36261 1 413 . 1 . 1 38 38 SER CA C 13 57.5090 0.0000 . 1 . . . . A 35 SER CA . 36261 1 414 . 1 . 1 38 38 SER CB C 13 63.9800 0.0000 . 1 . . . . A 35 SER CB . 36261 1 415 . 1 . 1 38 38 SER N N 15 115.5500 0.0000 . 1 . . . . A 35 SER N . 36261 1 416 . 1 . 1 39 39 LYS H H 1 7.6300 0.0000 . 1 . . . . A 36 LYS H . 36261 1 417 . 1 . 1 39 39 LYS HA H 1 2.6520 0.0000 . 1 . . . . A 36 LYS HA . 36261 1 418 . 1 . 1 39 39 LYS HB2 H 1 1.8720 0.0000 . 2 . . . . A 36 LYS HB2 . 36261 1 419 . 1 . 1 39 39 LYS HB3 H 1 2.0020 0.0000 . 2 . . . . A 36 LYS HB3 . 36261 1 420 . 1 . 1 39 39 LYS HG2 H 1 1.2270 0.0000 . 2 . . . . A 36 LYS HG2 . 36261 1 421 . 1 . 1 39 39 LYS HG3 H 1 1.3010 0.0000 . 2 . . . . A 36 LYS HG3 . 36261 1 422 . 1 . 1 39 39 LYS HD3 H 1 1.7600 0.0000 . 2 . . . . A 36 LYS HD3 . 36261 1 423 . 1 . 1 39 39 LYS HE3 H 1 3.0920 0.0000 . 2 . . . . A 36 LYS HE3 . 36261 1 424 . 1 . 1 39 39 LYS C C 13 174.7440 0.0000 . 1 . . . . A 36 LYS C . 36261 1 425 . 1 . 1 39 39 LYS CA C 13 56.7900 0.0000 . 1 . . . . A 36 LYS CA . 36261 1 426 . 1 . 1 39 39 LYS CB C 13 51.0370 0.0000 . 1 . . . . A 36 LYS CB . 36261 1 427 . 1 . 1 39 39 LYS CG C 13 25.1500 0.0000 . 1 . . . . A 36 LYS CG . 36261 1 428 . 1 . 1 39 39 LYS CD C 13 29.4650 0.0000 . 1 . . . . A 36 LYS CD . 36261 1 429 . 1 . 1 39 39 LYS CE C 13 42.4080 0.0000 . 1 . . . . A 36 LYS CE . 36261 1 430 . 1 . 1 39 39 LYS N N 15 119.8600 0.0000 . 1 . . . . A 36 LYS N . 36261 1 431 . 1 . 1 40 40 MET H H 1 6.7100 0.0000 . 1 . . . . A 37 MET H . 36261 1 432 . 1 . 1 40 40 MET HA H 1 4.8000 0.0000 . 1 . . . . A 37 MET HA . 36261 1 433 . 1 . 1 40 40 MET HB3 H 1 1.5850 0.0000 . 2 . . . . A 37 MET HB3 . 36261 1 434 . 1 . 1 40 40 MET HG3 H 1 2.4570 0.0000 . 2 . . . . A 37 MET HG3 . 36261 1 435 . 1 . 1 40 40 MET C C 13 175.1020 0.0000 . 1 . . . . A 37 MET C . 36261 1 436 . 1 . 1 40 40 MET CA C 13 54.2720 0.0000 . 1 . . . . A 37 MET CA . 36261 1 437 . 1 . 1 40 40 MET CB C 13 39.5320 0.0000 . 1 . . . . A 37 MET CB . 36261 1 438 . 1 . 1 40 40 MET CG C 13 33.0610 0.0000 . 1 . . . . A 37 MET CG . 36261 1 439 . 1 . 1 40 40 MET N N 15 116.3500 0.0000 . 1 . . . . A 37 MET N . 36261 1 440 . 1 . 1 41 41 TYR H H 1 9.3270 0.0000 . 1 . . . . A 38 TYR H . 36261 1 441 . 1 . 1 41 41 TYR HA H 1 6.3120 0.0000 . 1 . . . . A 38 TYR HA . 36261 1 442 . 1 . 1 41 41 TYR HB2 H 1 3.2060 0.0000 . 2 . . . . A 38 TYR HB2 . 36261 1 443 . 1 . 1 41 41 TYR HB3 H 1 3.4560 0.0000 . 2 . . . . A 38 TYR HB3 . 36261 1 444 . 1 . 1 41 41 TYR HD1 H 1 6.9770 0.0000 . 3 . . . . A 38 TYR HD1 . 36261 1 445 . 1 . 1 41 41 TYR HE1 H 1 6.8180 0.0000 . 3 . . . . A 38 TYR HE1 . 36261 1 446 . 1 . 1 41 41 TYR C C 13 174.9010 0.0000 . 1 . . . . A 38 TYR C . 36261 1 447 . 1 . 1 41 41 TYR CA C 13 54.6320 0.0000 . 1 . . . . A 38 TYR CA . 36261 1 448 . 1 . 1 41 41 TYR CB C 13 43.1270 0.0000 . 1 . . . . A 38 TYR CB . 36261 1 449 . 1 . 1 41 41 TYR CD1 C 13 133.7830 0.0000 . 3 . . . . A 38 TYR CD1 . 36261 1 450 . 1 . 1 41 41 TYR CE1 C 13 118.6990 0.0000 . 3 . . . . A 38 TYR CE1 . 36261 1 451 . 1 . 1 41 41 TYR N N 15 117.9100 0.0000 . 1 . . . . A 38 TYR N . 36261 1 452 . 1 . 1 42 42 THR H H 1 8.7630 0.0000 . 1 . . . . A 39 THR H . 36261 1 453 . 1 . 1 42 42 THR HA H 1 4.8780 0.0000 . 1 . . . . A 39 THR HA . 36261 1 454 . 1 . 1 42 42 THR HB H 1 4.1780 0.0000 . 1 . . . . A 39 THR HB . 36261 1 455 . 1 . 1 42 42 THR HG21 H 1 1.2180 0.0000 . 1 . . . . A 39 THR HG21 . 36261 1 456 . 1 . 1 42 42 THR HG22 H 1 1.2180 0.0000 . 1 . . . . A 39 THR HG22 . 36261 1 457 . 1 . 1 42 42 THR HG23 H 1 1.2180 0.0000 . 1 . . . . A 39 THR HG23 . 36261 1 458 . 1 . 1 42 42 THR C C 13 174.2490 0.0000 . 1 . . . . A 39 THR C . 36261 1 459 . 1 . 1 42 42 THR CA C 13 59.6660 0.0000 . 1 . . . . A 39 THR CA . 36261 1 460 . 1 . 1 42 42 THR CB C 13 70.4510 0.0000 . 1 . . . . A 39 THR CB . 36261 1 461 . 1 . 1 42 42 THR CG2 C 13 22.9930 0.0000 . 1 . . . . A 39 THR CG2 . 36261 1 462 . 1 . 1 42 42 THR N N 15 111.9380 0.0000 . 1 . . . . A 39 THR N . 36261 1 463 . 1 . 1 43 43 SER H H 1 8.2820 0.0000 . 1 . . . . A 40 SER H . 36261 1 464 . 1 . 1 43 43 SER HA H 1 5.5170 0.0000 . 1 . . . . A 40 SER HA . 36261 1 465 . 1 . 1 43 43 SER HB3 H 1 3.9040 0.0000 . 2 . . . . A 40 SER HB3 . 36261 1 466 . 1 . 1 43 43 SER C C 13 173.4850 0.0000 . 1 . . . . A 40 SER C . 36261 1 467 . 1 . 1 43 43 SER CA C 13 56.7900 0.0000 . 1 . . . . A 40 SER CA . 36261 1 468 . 1 . 1 43 43 SER CB C 13 66.1370 0.0000 . 1 . . . . A 40 SER CB . 36261 1 469 . 1 . 1 43 43 SER N N 15 116.1910 0.0000 . 1 . . . . A 40 SER N . 36261 1 470 . 1 . 1 44 44 ILE H H 1 8.2580 0.0000 . 1 . . . . A 41 ILE H . 36261 1 471 . 1 . 1 44 44 ILE HA H 1 4.5270 0.0000 . 1 . . . . A 41 ILE HA . 36261 1 472 . 1 . 1 44 44 ILE HB H 1 1.9760 0.0000 . 1 . . . . A 41 ILE HB . 36261 1 473 . 1 . 1 44 44 ILE HG12 H 1 1.3090 0.0000 . 2 . . . . A 41 ILE HG12 . 36261 1 474 . 1 . 1 44 44 ILE HG13 H 1 1.6950 0.0000 . 2 . . . . A 41 ILE HG13 . 36261 1 475 . 1 . 1 44 44 ILE HG21 H 1 1.0940 0.0000 . 1 . . . . A 41 ILE HG21 . 36261 1 476 . 1 . 1 44 44 ILE HG22 H 1 1.0940 0.0000 . 1 . . . . A 41 ILE HG22 . 36261 1 477 . 1 . 1 44 44 ILE HG23 H 1 1.0940 0.0000 . 1 . . . . A 41 ILE HG23 . 36261 1 478 . 1 . 1 44 44 ILE HD11 H 1 0.9730 0.0000 . 1 . . . . A 41 ILE HD11 . 36261 1 479 . 1 . 1 44 44 ILE HD12 H 1 0.9730 0.0000 . 1 . . . . A 41 ILE HD12 . 36261 1 480 . 1 . 1 44 44 ILE HD13 H 1 0.9730 0.0000 . 1 . . . . A 41 ILE HD13 . 36261 1 481 . 1 . 1 44 44 ILE CA C 13 59.6540 0.0000 . 1 . . . . A 41 ILE CA . 36261 1 482 . 1 . 1 44 44 ILE CB C 13 38.8130 0.0000 . 1 . . . . A 41 ILE CB . 36261 1 483 . 1 . 1 44 44 ILE CG1 C 13 26.5890 0.0000 . 1 . . . . A 41 ILE CG1 . 36261 1 484 . 1 . 1 44 44 ILE CG2 C 13 17.9600 0.0000 . 1 . . . . A 41 ILE CG2 . 36261 1 485 . 1 . 1 44 44 ILE CD1 C 13 14.3650 0.0000 . 1 . . . . A 41 ILE CD1 . 36261 1 486 . 1 . 1 44 44 ILE N N 15 122.5570 0.0000 . 1 . . . . A 41 ILE N . 36261 1 487 . 1 . 1 45 45 PRO HA H 1 4.5110 0.0000 . 1 . . . . A 42 PRO HA . 36261 1 488 . 1 . 1 45 45 PRO HB2 H 1 1.9690 0.0000 . 2 . . . . A 42 PRO HB2 . 36261 1 489 . 1 . 1 45 45 PRO HB3 H 1 2.3480 0.0000 . 2 . . . . A 42 PRO HB3 . 36261 1 490 . 1 . 1 45 45 PRO HG2 H 1 2.0270 0.0000 . 2 . . . . A 42 PRO HG2 . 36261 1 491 . 1 . 1 45 45 PRO HG3 H 1 2.0890 0.0000 . 2 . . . . A 42 PRO HG3 . 36261 1 492 . 1 . 1 45 45 PRO HD2 H 1 3.7240 0.0000 . 2 . . . . A 42 PRO HD2 . 36261 1 493 . 1 . 1 45 45 PRO HD3 H 1 3.9320 0.0000 . 2 . . . . A 42 PRO HD3 . 36261 1 494 . 1 . 1 45 45 PRO C C 13 176.6000 0.0000 . 1 . . . . A 42 PRO C . 36261 1 495 . 1 . 1 45 45 PRO CA C 13 63.2610 0.0000 . 1 . . . . A 42 PRO CA . 36261 1 496 . 1 . 1 45 45 PRO CB C 13 32.3410 0.0000 . 1 . . . . A 42 PRO CB . 36261 1 497 . 1 . 1 45 45 PRO CG C 13 27.3080 0.0000 . 1 . . . . A 42 PRO CG . 36261 1 498 . 1 . 1 45 45 PRO CD C 13 51.0370 0.0000 . 1 . . . . A 42 PRO CD . 36261 1 499 . 1 . 1 46 46 ASN H H 1 8.5940 0.0000 . 1 . . . . A 43 ASN H . 36261 1 500 . 1 . 1 46 46 ASN HA H 1 4.6760 0.0000 . 1 . . . . A 43 ASN HA . 36261 1 501 . 1 . 1 46 46 ASN HB2 H 1 2.7330 0.0000 . 2 . . . . A 43 ASN HB2 . 36261 1 502 . 1 . 1 46 46 ASN HB3 H 1 2.8140 0.0000 . 2 . . . . A 43 ASN HB3 . 36261 1 503 . 1 . 1 46 46 ASN HD21 H 1 7.6320 0.0000 . 2 . . . . A 43 ASN HD21 . 36261 1 504 . 1 . 1 46 46 ASN C C 13 174.9060 0.0000 . 1 . . . . A 43 ASN C . 36261 1 505 . 1 . 1 46 46 ASN CA C 13 53.1940 0.0000 . 1 . . . . A 43 ASN CA . 36261 1 506 . 1 . 1 46 46 ASN CB C 13 38.8130 0.0000 . 1 . . . . A 43 ASN CB . 36261 1 507 . 1 . 1 46 46 ASN N N 15 120.8330 0.0000 . 1 . . . . A 43 ASN N . 36261 1 508 . 1 . 1 46 46 ASN ND2 N 15 113.7900 0.0000 . 1 . . . . A 43 ASN ND2 . 36261 1 509 . 1 . 1 47 47 ASP H H 1 8.3030 0.0000 . 1 . . . . A 44 ASP H . 36261 1 510 . 1 . 1 47 47 ASP HA H 1 4.5880 0.0000 . 1 . . . . A 44 ASP HA . 36261 1 511 . 1 . 1 47 47 ASP HB3 H 1 2.6310 0.0000 . 2 . . . . A 44 ASP HB3 . 36261 1 512 . 1 . 1 47 47 ASP C C 13 175.7270 0.0000 . 1 . . . . A 44 ASP C . 36261 1 513 . 1 . 1 47 47 ASP CA C 13 53.9130 0.0000 . 1 . . . . A 44 ASP CA . 36261 1 514 . 1 . 1 47 47 ASP CB C 13 40.9700 0.0000 . 1 . . . . A 44 ASP CB . 36261 1 515 . 1 . 1 47 47 ASP N N 15 121.7910 0.0000 . 1 . . . . A 44 ASP N . 36261 1 516 . 1 . 1 48 48 LYS H H 1 8.2040 0.0000 . 1 . . . . A 45 LYS H . 36261 1 517 . 1 . 1 48 48 LYS HA H 1 4.6290 0.0000 . 1 . . . . A 45 LYS HA . 36261 1 518 . 1 . 1 48 48 LYS HB2 H 1 1.7270 0.0000 . 2 . . . . A 45 LYS HB2 . 36261 1 519 . 1 . 1 48 48 LYS HB3 H 1 1.8230 0.0000 . 2 . . . . A 45 LYS HB3 . 36261 1 520 . 1 . 1 48 48 LYS HG3 H 1 1.4530 0.0000 . 2 . . . . A 45 LYS HG3 . 36261 1 521 . 1 . 1 48 48 LYS HD3 H 1 1.6930 0.0000 . 2 . . . . A 45 LYS HD3 . 36261 1 522 . 1 . 1 48 48 LYS HE3 H 1 3.0090 0.0000 . 2 . . . . A 45 LYS HE3 . 36261 1 523 . 1 . 1 48 48 LYS C C 13 174.4650 0.0000 . 1 . . . . A 45 LYS C . 36261 1 524 . 1 . 1 48 48 LYS CA C 13 53.9130 0.0000 . 1 . . . . A 45 LYS CA . 36261 1 525 . 1 . 1 48 48 LYS CB C 13 32.3410 0.0000 . 1 . . . . A 45 LYS CB . 36261 1 526 . 1 . 1 48 48 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 45 LYS CG . 36261 1 527 . 1 . 1 48 48 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 45 LYS CD . 36261 1 528 . 1 . 1 48 48 LYS CE C 13 42.2840 0.0000 . 1 . . . . A 45 LYS CE . 36261 1 529 . 1 . 1 48 48 LYS N N 15 123.2080 0.0000 . 1 . . . . A 45 LYS N . 36261 1 530 . 1 . 1 49 49 PRO HA H 1 4.4160 0.0000 . 1 . . . . A 46 PRO HA . 36261 1 531 . 1 . 1 49 49 PRO HB2 H 1 1.9310 0.0000 . 2 . . . . A 46 PRO HB2 . 36261 1 532 . 1 . 1 49 49 PRO HB3 H 1 2.2990 0.0000 . 2 . . . . A 46 PRO HB3 . 36261 1 533 . 1 . 1 49 49 PRO HG2 H 1 2.0060 0.0000 . 2 . . . . A 46 PRO HG2 . 36261 1 534 . 1 . 1 49 49 PRO HG3 H 1 2.0640 0.0000 . 2 . . . . A 46 PRO HG3 . 36261 1 535 . 1 . 1 49 49 PRO HD2 H 1 3.6380 0.0000 . 2 . . . . A 46 PRO HD2 . 36261 1 536 . 1 . 1 49 49 PRO HD3 H 1 3.8230 0.0000 . 2 . . . . A 46 PRO HD3 . 36261 1 537 . 1 . 1 49 49 PRO C C 13 177.7070 0.0000 . 1 . . . . A 46 PRO C . 36261 1 538 . 1 . 1 49 49 PRO CA C 13 63.2610 0.0000 . 1 . . . . A 46 PRO CA . 36261 1 539 . 1 . 1 49 49 PRO CB C 13 31.6220 0.0000 . 1 . . . . A 46 PRO CB . 36261 1 540 . 1 . 1 49 49 PRO CG C 13 27.3080 0.0000 . 1 . . . . A 46 PRO CG . 36261 1 541 . 1 . 1 49 49 PRO CD C 13 50.3180 0.0000 . 1 . . . . A 46 PRO CD . 36261 1 542 . 1 . 1 50 50 GLY H H 1 8.6300 0.0000 . 1 . . . . A 47 GLY H . 36261 1 543 . 1 . 1 50 50 GLY HA2 H 1 3.9060 0.0000 . 2 . . . . A 47 GLY HA2 . 36261 1 544 . 1 . 1 50 50 GLY HA3 H 1 4.0580 0.0000 . 2 . . . . A 47 GLY HA3 . 36261 1 545 . 1 . 1 50 50 GLY C C 13 174.9180 0.0000 . 1 . . . . A 47 GLY C . 36261 1 546 . 1 . 1 50 50 GLY CA C 13 45.2840 0.0000 . 1 . . . . A 47 GLY CA . 36261 1 547 . 1 . 1 50 50 GLY N N 15 111.5410 0.0000 . 1 . . . . A 47 GLY N . 36261 1 548 . 1 . 1 51 51 GLY H H 1 8.3060 0.0000 . 1 . . . . A 48 GLY H . 36261 1 549 . 1 . 1 51 51 GLY HA2 H 1 3.8970 0.0000 . 2 . . . . A 48 GLY HA2 . 36261 1 550 . 1 . 1 51 51 GLY HA3 H 1 4.0550 0.0000 . 2 . . . . A 48 GLY HA3 . 36261 1 551 . 1 . 1 51 51 GLY C C 13 174.3470 0.0000 . 1 . . . . A 48 GLY C . 36261 1 552 . 1 . 1 51 51 GLY CA C 13 45.2290 0.0000 . 1 . . . . A 48 GLY CA . 36261 1 553 . 1 . 1 51 51 GLY N N 15 110.1100 0.0000 . 1 . . . . A 48 GLY N . 36261 1 554 . 1 . 1 52 52 SER H H 1 8.3760 0.0000 . 1 . . . . A 49 SER H . 36261 1 555 . 1 . 1 52 52 SER HA H 1 4.5420 0.0000 . 1 . . . . A 49 SER HA . 36261 1 556 . 1 . 1 52 52 SER HB2 H 1 3.8980 0.0000 . 2 . . . . A 49 SER HB2 . 36261 1 557 . 1 . 1 52 52 SER HB3 H 1 3.9580 0.0000 . 2 . . . . A 49 SER HB3 . 36261 1 558 . 1 . 1 52 52 SER C C 13 175.0820 0.0000 . 1 . . . . A 49 SER C . 36261 1 559 . 1 . 1 52 52 SER CA C 13 58.2280 0.0000 . 1 . . . . A 49 SER CA . 36261 1 560 . 1 . 1 52 52 SER CB C 13 63.2610 0.0000 . 1 . . . . A 49 SER CB . 36261 1 561 . 1 . 1 52 52 SER N N 15 116.8670 0.0000 . 1 . . . . A 49 SER N . 36261 1 562 . 1 . 1 53 53 SER H H 1 8.5010 0.0000 . 1 . . . . A 50 SER H . 36261 1 563 . 1 . 1 53 53 SER HA H 1 4.5080 0.0000 . 1 . . . . A 50 SER HA . 36261 1 564 . 1 . 1 53 53 SER HB3 H 1 3.8470 0.0000 . 2 . . . . A 50 SER HB3 . 36261 1 565 . 1 . 1 53 53 SER C C 13 174.7260 0.0000 . 1 . . . . A 50 SER C . 36261 1 566 . 1 . 1 53 53 SER CA C 13 58.2280 0.0000 . 1 . . . . A 50 SER CA . 36261 1 567 . 1 . 1 53 53 SER CB C 13 63.9800 0.0000 . 1 . . . . A 50 SER CB . 36261 1 568 . 1 . 1 53 53 SER N N 15 119.2240 0.0000 . 1 . . . . A 50 SER N . 36261 1 569 . 1 . 1 54 54 GLN H H 1 8.4070 0.0000 . 1 . . . . A 51 GLN H . 36261 1 570 . 1 . 1 54 54 GLN HA H 1 4.3590 0.0000 . 1 . . . . A 51 GLN HA . 36261 1 571 . 1 . 1 54 54 GLN HB2 H 1 1.9890 0.0000 . 2 . . . . A 51 GLN HB2 . 36261 1 572 . 1 . 1 54 54 GLN HB3 H 1 2.1710 0.0000 . 2 . . . . A 51 GLN HB3 . 36261 1 573 . 1 . 1 54 54 GLN HG3 H 1 2.3920 0.0000 . 2 . . . . A 51 GLN HG3 . 36261 1 574 . 1 . 1 54 54 GLN C C 13 175.7910 0.0000 . 1 . . . . A 51 GLN C . 36261 1 575 . 1 . 1 54 54 GLN CA C 13 56.0710 0.0000 . 1 . . . . A 51 GLN CA . 36261 1 576 . 1 . 1 54 54 GLN CB C 13 29.4650 0.0000 . 1 . . . . A 51 GLN CB . 36261 1 577 . 1 . 1 54 54 GLN CG C 13 33.7800 0.0000 . 1 . . . . A 51 GLN CG . 36261 1 578 . 1 . 1 54 54 GLN N N 15 122.9890 0.0000 . 1 . . . . A 51 GLN N . 36261 1 579 . 1 . 1 55 55 ALA H H 1 8.2960 0.0000 . 1 . . . . A 52 ALA H . 36261 1 580 . 1 . 1 55 55 ALA HA H 1 4.3630 0.0000 . 1 . . . . A 52 ALA HA . 36261 1 581 . 1 . 1 55 55 ALA HB1 H 1 1.4410 0.0000 . 1 . . . . A 52 ALA HB1 . 36261 1 582 . 1 . 1 55 55 ALA HB2 H 1 1.4410 0.0000 . 1 . . . . A 52 ALA HB2 . 36261 1 583 . 1 . 1 55 55 ALA HB3 H 1 1.4410 0.0000 . 1 . . . . A 52 ALA HB3 . 36261 1 584 . 1 . 1 55 55 ALA C C 13 178.0550 0.0000 . 1 . . . . A 52 ALA C . 36261 1 585 . 1 . 1 55 55 ALA CA C 13 53.1940 0.0000 . 1 . . . . A 52 ALA CA . 36261 1 586 . 1 . 1 55 55 ALA CB C 13 18.6790 0.0000 . 1 . . . . A 52 ALA CB . 36261 1 587 . 1 . 1 55 55 ALA N N 15 125.8250 0.0000 . 1 . . . . A 52 ALA N . 36261 1 588 . 1 . 1 56 56 THR H H 1 8.1480 0.0000 . 1 . . . . A 53 THR H . 36261 1 589 . 1 . 1 56 56 THR HA H 1 4.3300 0.0000 . 1 . . . . A 53 THR HA . 36261 1 590 . 1 . 1 56 56 THR HB H 1 4.2800 0.0000 . 1 . . . . A 53 THR HB . 36261 1 591 . 1 . 1 56 56 THR HG21 H 1 1.2560 0.0000 . 1 . . . . A 53 THR HG21 . 36261 1 592 . 1 . 1 56 56 THR HG22 H 1 1.2560 0.0000 . 1 . . . . A 53 THR HG22 . 36261 1 593 . 1 . 1 56 56 THR HG23 H 1 1.2560 0.0000 . 1 . . . . A 53 THR HG23 . 36261 1 594 . 1 . 1 56 56 THR C C 13 174.5910 0.0000 . 1 . . . . A 53 THR C . 36261 1 595 . 1 . 1 56 56 THR CA C 13 61.8230 0.0000 . 1 . . . . A 53 THR CA . 36261 1 596 . 1 . 1 56 56 THR CB C 13 69.7320 0.0000 . 1 . . . . A 53 THR CB . 36261 1 597 . 1 . 1 56 56 THR CG2 C 13 21.5550 0.0000 . 1 . . . . A 53 THR CG2 . 36261 1 598 . 1 . 1 56 56 THR N N 15 114.6890 0.0000 . 1 . . . . A 53 THR N . 36261 1 599 . 1 . 1 57 57 LYS H H 1 8.3040 0.0000 . 1 . . . . A 54 LYS H . 36261 1 600 . 1 . 1 57 57 LYS HA H 1 4.3680 0.0000 . 1 . . . . A 54 LYS HA . 36261 1 601 . 1 . 1 57 57 LYS HB2 H 1 1.8160 0.0000 . 2 . . . . A 54 LYS HB2 . 36261 1 602 . 1 . 1 57 57 LYS HB3 H 1 1.8940 0.0000 . 2 . . . . A 54 LYS HB3 . 36261 1 603 . 1 . 1 57 57 LYS HG3 H 1 1.4750 0.0000 . 2 . . . . A 54 LYS HG3 . 36261 1 604 . 1 . 1 57 57 LYS HD3 H 1 1.7310 0.0000 . 2 . . . . A 54 LYS HD3 . 36261 1 605 . 1 . 1 57 57 LYS HE3 H 1 3.0160 0.0000 . 2 . . . . A 54 LYS HE3 . 36261 1 606 . 1 . 1 57 57 LYS C C 13 176.1650 0.0000 . 1 . . . . A 54 LYS C . 36261 1 607 . 1 . 1 57 57 LYS CA C 13 56.0710 0.0000 . 1 . . . . A 54 LYS CA . 36261 1 608 . 1 . 1 57 57 LYS CB C 13 33.0610 0.0000 . 1 . . . . A 54 LYS CB . 36261 1 609 . 1 . 1 57 57 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 54 LYS CG . 36261 1 610 . 1 . 1 57 57 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 54 LYS CD . 36261 1 611 . 1 . 1 57 57 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 54 LYS CE . 36261 1 612 . 1 . 1 57 57 LYS N N 15 124.3090 0.0000 . 1 . . . . A 54 LYS N . 36261 1 613 . 1 . 1 58 58 GLU H H 1 8.2280 0.0000 . 1 . . . . A 55 GLU H . 36261 1 614 . 1 . 1 58 58 GLU HA H 1 4.3260 0.0000 . 1 . . . . A 55 GLU HA . 36261 1 615 . 1 . 1 58 58 GLU HB2 H 1 1.9540 0.0000 . 2 . . . . A 55 GLU HB2 . 36261 1 616 . 1 . 1 58 58 GLU HB3 H 1 1.9840 0.0000 . 2 . . . . A 55 GLU HB3 . 36261 1 617 . 1 . 1 58 58 GLU HG2 H 1 2.2000 0.0000 . 2 . . . . A 55 GLU HG2 . 36261 1 618 . 1 . 1 58 58 GLU HG3 H 1 2.2710 0.0000 . 2 . . . . A 55 GLU HG3 . 36261 1 619 . 1 . 1 58 58 GLU C C 13 175.7380 0.0000 . 1 . . . . A 55 GLU C . 36261 1 620 . 1 . 1 58 58 GLU CA C 13 56.0710 0.0000 . 1 . . . . A 55 GLU CA . 36261 1 621 . 1 . 1 58 58 GLU CB C 13 30.9030 0.0000 . 1 . . . . A 55 GLU CB . 36261 1 622 . 1 . 1 58 58 GLU CG C 13 35.9370 0.0000 . 1 . . . . A 55 GLU CG . 36261 1 623 . 1 . 1 58 58 GLU N N 15 122.2480 0.0000 . 1 . . . . A 55 GLU N . 36261 1 624 . 1 . 1 59 59 ILE H H 1 8.4040 0.0000 . 1 . . . . A 56 ILE H . 36261 1 625 . 1 . 1 59 59 ILE HA H 1 4.1770 0.0000 . 1 . . . . A 56 ILE HA . 36261 1 626 . 1 . 1 59 59 ILE HB H 1 1.8780 0.0000 . 1 . . . . A 56 ILE HB . 36261 1 627 . 1 . 1 59 59 ILE HG12 H 1 1.2200 0.0000 . 2 . . . . A 56 ILE HG12 . 36261 1 628 . 1 . 1 59 59 ILE HG13 H 1 1.6030 0.0000 . 2 . . . . A 56 ILE HG13 . 36261 1 629 . 1 . 1 59 59 ILE HG21 H 1 0.9720 0.0000 . 1 . . . . A 56 ILE HG21 . 36261 1 630 . 1 . 1 59 59 ILE HG22 H 1 0.9720 0.0000 . 1 . . . . A 56 ILE HG22 . 36261 1 631 . 1 . 1 59 59 ILE HG23 H 1 0.9720 0.0000 . 1 . . . . A 56 ILE HG23 . 36261 1 632 . 1 . 1 59 59 ILE HD11 H 1 0.9180 0.0000 . 1 . . . . A 56 ILE HD11 . 36261 1 633 . 1 . 1 59 59 ILE HD12 H 1 0.9180 0.0000 . 1 . . . . A 56 ILE HD12 . 36261 1 634 . 1 . 1 59 59 ILE HD13 H 1 0.9180 0.0000 . 1 . . . . A 56 ILE HD13 . 36261 1 635 . 1 . 1 59 59 ILE C C 13 175.7560 0.0000 . 1 . . . . A 56 ILE C . 36261 1 636 . 1 . 1 59 59 ILE CA C 13 61.1040 0.0000 . 1 . . . . A 56 ILE CA . 36261 1 637 . 1 . 1 59 59 ILE CB C 13 38.0940 0.0000 . 1 . . . . A 56 ILE CB . 36261 1 638 . 1 . 1 59 59 ILE CG1 C 13 27.3080 0.0000 . 1 . . . . A 56 ILE CG1 . 36261 1 639 . 1 . 1 59 59 ILE CG2 C 13 17.9600 0.0000 . 1 . . . . A 56 ILE CG2 . 36261 1 640 . 1 . 1 59 59 ILE CD1 C 13 12.9270 0.0000 . 1 . . . . A 56 ILE CD1 . 36261 1 641 . 1 . 1 59 59 ILE N N 15 125.9150 0.0000 . 1 . . . . A 56 ILE N . 36261 1 642 . 1 . 1 60 60 LYS H H 1 8.5510 0.0000 . 1 . . . . A 57 LYS H . 36261 1 643 . 1 . 1 60 60 LYS HA H 1 4.8040 0.0000 . 1 . . . . A 57 LYS HA . 36261 1 644 . 1 . 1 60 60 LYS HB2 H 1 1.7240 0.0000 . 2 . . . . A 57 LYS HB2 . 36261 1 645 . 1 . 1 60 60 LYS HB3 H 1 1.8500 0.0000 . 2 . . . . A 57 LYS HB3 . 36261 1 646 . 1 . 1 60 60 LYS HG3 H 1 1.4710 0.0000 . 2 . . . . A 57 LYS HG3 . 36261 1 647 . 1 . 1 60 60 LYS HD3 H 1 1.6980 0.0000 . 2 . . . . A 57 LYS HD3 . 36261 1 648 . 1 . 1 60 60 LYS HE3 H 1 2.9990 0.0000 . 2 . . . . A 57 LYS HE3 . 36261 1 649 . 1 . 1 60 60 LYS C C 13 174.0370 0.0000 . 1 . . . . A 57 LYS C . 36261 1 650 . 1 . 1 60 60 LYS CA C 13 53.1940 0.0000 . 1 . . . . A 57 LYS CA . 36261 1 651 . 1 . 1 60 60 LYS CB C 13 33.0610 0.0000 . 1 . . . . A 57 LYS CB . 36261 1 652 . 1 . 1 60 60 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 57 LYS CG . 36261 1 653 . 1 . 1 60 60 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 57 LYS CD . 36261 1 654 . 1 . 1 60 60 LYS CE C 13 42.2840 0.0000 . 1 . . . . A 57 LYS CE . 36261 1 655 . 1 . 1 60 60 LYS N N 15 129.4590 0.0000 . 1 . . . . A 57 LYS N . 36261 1 656 . 1 . 1 61 61 PRO HA H 1 4.6730 0.0000 . 1 . . . . A 58 PRO HA . 36261 1 657 . 1 . 1 61 61 PRO HB2 H 1 1.8560 0.0000 . 2 . . . . A 58 PRO HB2 . 36261 1 658 . 1 . 1 61 61 PRO HB3 H 1 2.1000 0.0000 . 2 . . . . A 58 PRO HB3 . 36261 1 659 . 1 . 1 61 61 PRO HG2 H 1 1.8440 0.0000 . 2 . . . . A 58 PRO HG2 . 36261 1 660 . 1 . 1 61 61 PRO HG3 H 1 1.9770 0.0000 . 2 . . . . A 58 PRO HG3 . 36261 1 661 . 1 . 1 61 61 PRO HD2 H 1 3.6020 0.0000 . 2 . . . . A 58 PRO HD2 . 36261 1 662 . 1 . 1 61 61 PRO HD3 H 1 3.9000 0.0000 . 2 . . . . A 58 PRO HD3 . 36261 1 663 . 1 . 1 61 61 PRO C C 13 175.5360 0.0000 . 1 . . . . A 58 PRO C . 36261 1 664 . 1 . 1 61 61 PRO CA C 13 62.5420 0.0000 . 1 . . . . A 58 PRO CA . 36261 1 665 . 1 . 1 61 61 PRO CB C 13 32.3410 0.0000 . 1 . . . . A 58 PRO CB . 36261 1 666 . 1 . 1 61 61 PRO CG C 13 27.3080 0.0000 . 1 . . . . A 58 PRO CG . 36261 1 667 . 1 . 1 61 61 PRO CD C 13 50.3180 0.0000 . 1 . . . . A 58 PRO CD . 36261 1 668 . 1 . 1 62 62 GLN H H 1 9.0870 0.0000 . 1 . . . . A 59 GLN H . 36261 1 669 . 1 . 1 62 62 GLN HA H 1 4.6580 0.0000 . 1 . . . . A 59 GLN HA . 36261 1 670 . 1 . 1 62 62 GLN HB2 H 1 1.8680 0.0000 . 1 . . . . A 59 GLN HB2 . 36261 1 671 . 1 . 1 62 62 GLN HB3 H 1 1.5950 0.0000 . 1 . . . . A 59 GLN HB3 . 36261 1 672 . 1 . 1 62 62 GLN HG2 H 1 1.9220 0.0000 . 2 . . . . A 59 GLN HG2 . 36261 1 673 . 1 . 1 62 62 GLN HG3 H 1 2.0120 0.0000 . 2 . . . . A 59 GLN HG3 . 36261 1 674 . 1 . 1 62 62 GLN HE21 H 1 7.5980 0.0000 . 2 . . . . A 59 GLN HE21 . 36261 1 675 . 1 . 1 62 62 GLN HE22 H 1 6.9240 0.0000 . 2 . . . . A 59 GLN HE22 . 36261 1 676 . 1 . 1 62 62 GLN C C 13 173.6110 0.0000 . 1 . . . . A 59 GLN C . 36261 1 677 . 1 . 1 62 62 GLN CA C 13 53.9130 0.0000 . 1 . . . . A 59 GLN CA . 36261 1 678 . 1 . 1 62 62 GLN CB C 13 33.7800 0.0000 . 1 . . . . A 59 GLN CB . 36261 1 679 . 1 . 1 62 62 GLN CG C 13 33.7800 0.0000 . 1 . . . . A 59 GLN CG . 36261 1 680 . 1 . 1 62 62 GLN N N 15 120.7380 0.0000 . 1 . . . . A 59 GLN N . 36261 1 681 . 1 . 1 62 62 GLN NE2 N 15 114.3010 0.0000 . 1 . . . . A 59 GLN NE2 . 36261 1 682 . 1 . 1 63 63 LYS H H 1 8.2570 0.0000 . 1 . . . . A 60 LYS H . 36261 1 683 . 1 . 1 63 63 LYS HA H 1 4.5820 0.0000 . 1 . . . . A 60 LYS HA . 36261 1 684 . 1 . 1 63 63 LYS HB3 H 1 1.9760 0.0000 . 1 . . . . A 60 LYS HB3 . 36261 1 685 . 1 . 1 63 63 LYS HG3 H 1 1.5670 0.0000 . 2 . . . . A 60 LYS HG3 . 36261 1 686 . 1 . 1 63 63 LYS HD3 H 1 1.7770 0.0000 . 2 . . . . A 60 LYS HD3 . 36261 1 687 . 1 . 1 63 63 LYS HE3 H 1 3.0710 0.0000 . 2 . . . . A 60 LYS HE3 . 36261 1 688 . 1 . 1 63 63 LYS C C 13 176.7060 0.0000 . 1 . . . . A 60 LYS C . 36261 1 689 . 1 . 1 63 63 LYS CA C 13 55.3510 0.0000 . 1 . . . . A 60 LYS CA . 36261 1 690 . 1 . 1 63 63 LYS CB C 13 33.0610 0.0000 . 1 . . . . A 60 LYS CB . 36261 1 691 . 1 . 1 63 63 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 60 LYS CG . 36261 1 692 . 1 . 1 63 63 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 60 LYS CD . 36261 1 693 . 1 . 1 63 63 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 60 LYS CE . 36261 1 694 . 1 . 1 63 63 LYS N N 15 120.7160 0.0000 . 1 . . . . A 60 LYS N . 36261 1 695 . 1 . 1 64 64 LEU H H 1 8.9900 0.0000 . 1 . . . . A 61 LEU H . 36261 1 696 . 1 . 1 64 64 LEU HA H 1 4.3410 0.0000 . 1 . . . . A 61 LEU HA . 36261 1 697 . 1 . 1 64 64 LEU HB2 H 1 1.7350 0.0000 . 1 . . . . A 61 LEU HB2 . 36261 1 698 . 1 . 1 64 64 LEU HB3 H 1 1.5880 0.0000 . 1 . . . . A 61 LEU HB3 . 36261 1 699 . 1 . 1 64 64 LEU HG H 1 1.9430 0.0000 . 1 . . . . A 61 LEU HG . 36261 1 700 . 1 . 1 64 64 LEU HD11 H 1 0.5390 0.0000 . 1 . . . . A 61 LEU HD11 . 36261 1 701 . 1 . 1 64 64 LEU HD12 H 1 0.5390 0.0000 . 1 . . . . A 61 LEU HD12 . 36261 1 702 . 1 . 1 64 64 LEU HD13 H 1 0.5390 0.0000 . 1 . . . . A 61 LEU HD13 . 36261 1 703 . 1 . 1 64 64 LEU HD21 H 1 0.5820 0.0000 . 1 . . . . A 61 LEU HD21 . 36261 1 704 . 1 . 1 64 64 LEU HD22 H 1 0.5820 0.0000 . 1 . . . . A 61 LEU HD22 . 36261 1 705 . 1 . 1 64 64 LEU HD23 H 1 0.5820 0.0000 . 1 . . . . A 61 LEU HD23 . 36261 1 706 . 1 . 1 64 64 LEU C C 13 178.7500 0.0000 . 1 . . . . A 61 LEU C . 36261 1 707 . 1 . 1 64 64 LEU CA C 13 56.0710 0.0000 . 1 . . . . A 61 LEU CA . 36261 1 708 . 1 . 1 64 64 LEU CB C 13 42.4080 0.0000 . 1 . . . . A 61 LEU CB . 36261 1 709 . 1 . 1 64 64 LEU CG C 13 26.5890 0.0000 . 1 . . . . A 61 LEU CG . 36261 1 710 . 1 . 1 64 64 LEU CD1 C 13 25.1510 0.0000 . 1 . . . . A 61 LEU CD1 . 36261 1 711 . 1 . 1 64 64 LEU CD2 C 13 22.9930 0.0000 . 1 . . . . A 61 LEU CD2 . 36261 1 712 . 1 . 1 64 64 LEU N N 15 121.5610 0.0000 . 1 . . . . A 61 LEU N . 36261 1 713 . 1 . 1 65 65 GLY H H 1 9.3920 0.0000 . 1 . . . . A 62 GLY H . 36261 1 714 . 1 . 1 65 65 GLY HA2 H 1 3.9170 0.0000 . 2 . . . . A 62 GLY HA2 . 36261 1 715 . 1 . 1 65 65 GLY HA3 H 1 4.2760 0.0000 . 2 . . . . A 62 GLY HA3 . 36261 1 716 . 1 . 1 65 65 GLY C C 13 174.6150 0.0000 . 1 . . . . A 62 GLY C . 36261 1 717 . 1 . 1 65 65 GLY CA C 13 43.8460 0.0000 . 1 . . . . A 62 GLY CA . 36261 1 718 . 1 . 1 65 65 GLY N N 15 113.2950 0.0000 . 1 . . . . A 62 GLY N . 36261 1 719 . 1 . 1 66 66 GLU H H 1 8.7470 0.0000 . 1 . . . . A 63 GLU H . 36261 1 720 . 1 . 1 66 66 GLU HA H 1 4.0890 0.0000 . 1 . . . . A 63 GLU HA . 36261 1 721 . 1 . 1 66 66 GLU HB3 H 1 2.0080 0.0000 . 2 . . . . A 63 GLU HB3 . 36261 1 722 . 1 . 1 66 66 GLU HG3 H 1 2.3420 0.0000 . 2 . . . . A 63 GLU HG3 . 36261 1 723 . 1 . 1 66 66 GLU C C 13 176.8840 0.0000 . 1 . . . . A 63 GLU C . 36261 1 724 . 1 . 1 66 66 GLU CA C 13 58.9470 0.0000 . 1 . . . . A 63 GLU CA . 36261 1 725 . 1 . 1 66 66 GLU CB C 13 28.7460 0.0000 . 1 . . . . A 63 GLU CB . 36261 1 726 . 1 . 1 66 66 GLU CG C 13 36.6640 0.0000 . 1 . . . . A 63 GLU CG . 36261 1 727 . 1 . 1 66 66 GLU N N 15 120.8310 0.0000 . 1 . . . . A 63 GLU N . 36261 1 728 . 1 . 1 67 67 ASP H H 1 8.7000 0.0000 . 1 . . . . A 64 ASP H . 36261 1 729 . 1 . 1 67 67 ASP HA H 1 4.6700 0.0000 . 1 . . . . A 64 ASP HA . 36261 1 730 . 1 . 1 67 67 ASP HB2 H 1 2.7330 0.0000 . 2 . . . . A 64 ASP HB2 . 36261 1 731 . 1 . 1 67 67 ASP HB3 H 1 2.8280 0.0000 . 2 . . . . A 64 ASP HB3 . 36261 1 732 . 1 . 1 67 67 ASP C C 13 175.2830 0.0000 . 1 . . . . A 64 ASP C . 36261 1 733 . 1 . 1 67 67 ASP CA C 13 53.1940 0.0000 . 1 . . . . A 64 ASP CA . 36261 1 734 . 1 . 1 67 67 ASP CB C 13 38.8130 0.0000 . 1 . . . . A 64 ASP CB . 36261 1 735 . 1 . 1 67 67 ASP N N 15 117.3650 0.0000 . 1 . . . . A 64 ASP N . 36261 1 736 . 1 . 1 68 68 GLU H H 1 7.5290 0.0000 . 1 . . . . A 65 GLU H . 36261 1 737 . 1 . 1 68 68 GLU HA H 1 4.6200 0.0000 . 1 . . . . A 65 GLU HA . 36261 1 738 . 1 . 1 68 68 GLU HB2 H 1 2.0380 0.0000 . 1 . . . . A 65 GLU HB2 . 36261 1 739 . 1 . 1 68 68 GLU HB3 H 1 1.9680 0.0000 . 1 . . . . A 65 GLU HB3 . 36261 1 740 . 1 . 1 68 68 GLU HG2 H 1 2.0870 0.0000 . 2 . . . . A 65 GLU HG2 . 36261 1 741 . 1 . 1 68 68 GLU HG3 H 1 2.2390 0.0000 . 2 . . . . A 65 GLU HG3 . 36261 1 742 . 1 . 1 68 68 GLU C C 13 174.5730 0.0000 . 1 . . . . A 65 GLU C . 36261 1 743 . 1 . 1 68 68 GLU CA C 13 55.3510 0.0000 . 1 . . . . A 65 GLU CA . 36261 1 744 . 1 . 1 68 68 GLU CB C 13 33.0610 0.0000 . 1 . . . . A 65 GLU CB . 36261 1 745 . 1 . 1 68 68 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 65 GLU CG . 36261 1 746 . 1 . 1 68 68 GLU N N 15 120.8650 0.0000 . 1 . . . . A 65 GLU N . 36261 1 747 . 1 . 1 69 69 SER H H 1 8.1420 0.0000 . 1 . . . . A 66 SER H . 36261 1 748 . 1 . 1 69 69 SER HA H 1 4.4470 0.0000 . 1 . . . . A 66 SER HA . 36261 1 749 . 1 . 1 69 69 SER HB2 H 1 3.5950 0.0000 . 2 . . . . A 66 SER HB2 . 36261 1 750 . 1 . 1 69 69 SER HB3 H 1 3.6590 0.0000 . 2 . . . . A 66 SER HB3 . 36261 1 751 . 1 . 1 69 69 SER C C 13 172.2130 0.0000 . 1 . . . . A 66 SER C . 36261 1 752 . 1 . 1 69 69 SER CA C 13 57.5090 0.0000 . 1 . . . . A 66 SER CA . 36261 1 753 . 1 . 1 69 69 SER CB C 13 64.6990 0.0000 . 1 . . . . A 66 SER CB . 36261 1 754 . 1 . 1 69 69 SER N N 15 114.9480 0.0000 . 1 . . . . A 66 SER N . 36261 1 755 . 1 . 1 70 70 ILE H H 1 7.5040 0.0000 . 1 . . . . A 67 ILE H . 36261 1 756 . 1 . 1 70 70 ILE HA H 1 3.9220 0.0000 . 1 . . . . A 67 ILE HA . 36261 1 757 . 1 . 1 70 70 ILE HB H 1 0.4850 0.0000 . 1 . . . . A 67 ILE HB . 36261 1 758 . 1 . 1 70 70 ILE HG12 H 1 -1.7000 0.0000 . 2 . . . . A 67 ILE HG12 . 36261 1 759 . 1 . 1 70 70 ILE HG13 H 1 0.0540 0.0000 . 2 . . . . A 67 ILE HG13 . 36261 1 760 . 1 . 1 70 70 ILE HG21 H 1 0.1510 0.0000 . 1 . . . . A 67 ILE HG21 . 36261 1 761 . 1 . 1 70 70 ILE HG22 H 1 0.1510 0.0000 . 1 . . . . A 67 ILE HG22 . 36261 1 762 . 1 . 1 70 70 ILE HG23 H 1 0.1510 0.0000 . 1 . . . . A 67 ILE HG23 . 36261 1 763 . 1 . 1 70 70 ILE HD11 H 1 -1.8250 0.0000 . 1 . . . . A 67 ILE HD11 . 36261 1 764 . 1 . 1 70 70 ILE HD12 H 1 -1.8250 0.0000 . 1 . . . . A 67 ILE HD12 . 36261 1 765 . 1 . 1 70 70 ILE HD13 H 1 -1.8250 0.0000 . 1 . . . . A 67 ILE HD13 . 36261 1 766 . 1 . 1 70 70 ILE C C 13 173.3960 0.0000 . 1 . . . . A 67 ILE C . 36261 1 767 . 1 . 1 70 70 ILE CA C 13 58.2280 0.0000 . 1 . . . . A 67 ILE CA . 36261 1 768 . 1 . 1 70 70 ILE CB C 13 40.2510 0.0000 . 1 . . . . A 67 ILE CB . 36261 1 769 . 1 . 1 70 70 ILE CG1 C 13 25.1510 0.0000 . 1 . . . . A 67 ILE CG1 . 36261 1 770 . 1 . 1 70 70 ILE CG2 C 13 16.5220 0.0000 . 1 . . . . A 67 ILE CG2 . 36261 1 771 . 1 . 1 70 70 ILE CD1 C 13 10.7700 0.0000 . 1 . . . . A 67 ILE CD1 . 36261 1 772 . 1 . 1 70 70 ILE N N 15 124.8390 0.0000 . 1 . . . . A 67 ILE N . 36261 1 773 . 1 . 1 71 71 PRO HA H 1 4.2530 0.0000 . 1 . . . . A 68 PRO HA . 36261 1 774 . 1 . 1 71 71 PRO HB2 H 1 1.8900 0.0000 . 2 . . . . A 68 PRO HB2 . 36261 1 775 . 1 . 1 71 71 PRO HB3 H 1 2.5800 0.0000 . 2 . . . . A 68 PRO HB3 . 36261 1 776 . 1 . 1 71 71 PRO HG2 H 1 2.1240 0.0000 . 2 . . . . A 68 PRO HG2 . 36261 1 777 . 1 . 1 71 71 PRO HG3 H 1 2.2560 0.0000 . 2 . . . . A 68 PRO HG3 . 36261 1 778 . 1 . 1 71 71 PRO HD2 H 1 3.9690 0.0000 . 2 . . . . A 68 PRO HD2 . 36261 1 779 . 1 . 1 71 71 PRO HD3 H 1 3.3260 0.0000 . 2 . . . . A 68 PRO HD3 . 36261 1 780 . 1 . 1 71 71 PRO C C 13 177.4260 0.0000 . 1 . . . . A 68 PRO C . 36261 1 781 . 1 . 1 71 71 PRO CA C 13 63.9800 0.0000 . 1 . . . . A 68 PRO CA . 36261 1 782 . 1 . 1 71 71 PRO CB C 13 33.0610 0.0000 . 1 . . . . A 68 PRO CB . 36261 1 783 . 1 . 1 71 71 PRO CG C 13 27.3080 0.0000 . 1 . . . . A 68 PRO CG . 36261 1 784 . 1 . 1 71 71 PRO CD C 13 50.7970 0.0000 . 1 . . . . A 68 PRO CD . 36261 1 785 . 1 . 1 72 72 GLU H H 1 8.8370 0.0000 . 1 . . . . A 69 GLU H . 36261 1 786 . 1 . 1 72 72 GLU HA H 1 3.8270 0.0000 . 1 . . . . A 69 GLU HA . 36261 1 787 . 1 . 1 72 72 GLU HB2 H 1 2.0090 0.0000 . 2 . . . . A 69 GLU HB2 . 36261 1 788 . 1 . 1 72 72 GLU HB3 H 1 2.0580 0.0000 . 2 . . . . A 69 GLU HB3 . 36261 1 789 . 1 . 1 72 72 GLU HG3 H 1 2.3360 0.0000 . 2 . . . . A 69 GLU HG3 . 36261 1 790 . 1 . 1 72 72 GLU C C 13 177.6410 0.0000 . 1 . . . . A 69 GLU C . 36261 1 791 . 1 . 1 72 72 GLU CA C 13 58.9470 0.0000 . 1 . . . . A 69 GLU CA . 36261 1 792 . 1 . 1 72 72 GLU CB C 13 29.4650 0.0000 . 1 . . . . A 69 GLU CB . 36261 1 793 . 1 . 1 72 72 GLU CG C 13 35.9370 0.0000 . 1 . . . . A 69 GLU CG . 36261 1 794 . 1 . 1 72 72 GLU N N 15 126.2690 0.0000 . 1 . . . . A 69 GLU N . 36261 1 795 . 1 . 1 73 73 GLU H H 1 9.2620 0.0000 . 1 . . . . A 70 GLU H . 36261 1 796 . 1 . 1 73 73 GLU HA H 1 4.1270 0.0000 . 1 . . . . A 70 GLU HA . 36261 1 797 . 1 . 1 73 73 GLU HB2 H 1 2.0500 0.0000 . 2 . . . . A 70 GLU HB2 . 36261 1 798 . 1 . 1 73 73 GLU HB3 H 1 2.1100 0.0000 . 2 . . . . A 70 GLU HB3 . 36261 1 799 . 1 . 1 73 73 GLU HG3 H 1 2.3600 0.0000 . 2 . . . . A 70 GLU HG3 . 36261 1 800 . 1 . 1 73 73 GLU C C 13 177.4390 0.0000 . 1 . . . . A 70 GLU C . 36261 1 801 . 1 . 1 73 73 GLU CA C 13 58.9470 0.0000 . 1 . . . . A 70 GLU CA . 36261 1 802 . 1 . 1 73 73 GLU CB C 13 29.4650 0.0000 . 1 . . . . A 70 GLU CB . 36261 1 803 . 1 . 1 73 73 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 70 GLU CG . 36261 1 804 . 1 . 1 73 73 GLU N N 15 117.0070 0.0000 . 1 . . . . A 70 GLU N . 36261 1 805 . 1 . 1 74 74 ILE H H 1 7.4410 0.0000 . 1 . . . . A 71 ILE H . 36261 1 806 . 1 . 1 74 74 ILE HA H 1 4.7760 0.0000 . 1 . . . . A 71 ILE HA . 36261 1 807 . 1 . 1 74 74 ILE HB H 1 2.2670 0.0000 . 1 . . . . A 71 ILE HB . 36261 1 808 . 1 . 1 74 74 ILE HG13 H 1 1.3120 0.0000 . 2 . . . . A 71 ILE HG13 . 36261 1 809 . 1 . 1 74 74 ILE HG21 H 1 0.9850 0.0000 . 1 . . . . A 71 ILE HG21 . 36261 1 810 . 1 . 1 74 74 ILE HG22 H 1 0.9850 0.0000 . 1 . . . . A 71 ILE HG22 . 36261 1 811 . 1 . 1 74 74 ILE HG23 H 1 0.9850 0.0000 . 1 . . . . A 71 ILE HG23 . 36261 1 812 . 1 . 1 74 74 ILE HD11 H 1 0.8130 0.0000 . 1 . . . . A 71 ILE HD11 . 36261 1 813 . 1 . 1 74 74 ILE HD12 H 1 0.8130 0.0000 . 1 . . . . A 71 ILE HD12 . 36261 1 814 . 1 . 1 74 74 ILE HD13 H 1 0.8130 0.0000 . 1 . . . . A 71 ILE HD13 . 36261 1 815 . 1 . 1 74 74 ILE C C 13 177.3070 0.0000 . 1 . . . . A 71 ILE C . 36261 1 816 . 1 . 1 74 74 ILE CA C 13 61.1040 0.0000 . 1 . . . . A 71 ILE CA . 36261 1 817 . 1 . 1 74 74 ILE CB C 13 39.5320 0.0000 . 1 . . . . A 71 ILE CB . 36261 1 818 . 1 . 1 74 74 ILE CG1 C 13 26.5890 0.0000 . 1 . . . . A 71 ILE CG1 . 36261 1 819 . 1 . 1 74 74 ILE CG2 C 13 17.9600 0.0000 . 1 . . . . A 71 ILE CG2 . 36261 1 820 . 1 . 1 74 74 ILE CD1 C 13 13.6410 0.0000 . 1 . . . . A 71 ILE CD1 . 36261 1 821 . 1 . 1 74 74 ILE N N 15 128.1830 0.0000 . 1 . . . . A 71 ILE N . 36261 1 822 . 1 . 1 75 75 ILE H H 1 7.1090 0.0000 . 1 . . . . A 72 ILE H . 36261 1 823 . 1 . 1 75 75 ILE HA H 1 3.7240 0.0000 . 1 . . . . A 72 ILE HA . 36261 1 824 . 1 . 1 75 75 ILE HB H 1 1.4720 0.0000 . 1 . . . . A 72 ILE HB . 36261 1 825 . 1 . 1 75 75 ILE HG12 H 1 0.6500 0.0000 . 2 . . . . A 72 ILE HG12 . 36261 1 826 . 1 . 1 75 75 ILE HG13 H 1 0.7490 0.0000 . 2 . . . . A 72 ILE HG13 . 36261 1 827 . 1 . 1 75 75 ILE HG21 H 1 0.9090 0.0000 . 1 . . . . A 72 ILE HG21 . 36261 1 828 . 1 . 1 75 75 ILE HG22 H 1 0.9090 0.0000 . 1 . . . . A 72 ILE HG22 . 36261 1 829 . 1 . 1 75 75 ILE HG23 H 1 0.9090 0.0000 . 1 . . . . A 72 ILE HG23 . 36261 1 830 . 1 . 1 75 75 ILE HD11 H 1 0.6520 0.0000 . 1 . . . . A 72 ILE HD11 . 36261 1 831 . 1 . 1 75 75 ILE HD12 H 1 0.6520 0.0000 . 1 . . . . A 72 ILE HD12 . 36261 1 832 . 1 . 1 75 75 ILE HD13 H 1 0.6520 0.0000 . 1 . . . . A 72 ILE HD13 . 36261 1 833 . 1 . 1 75 75 ILE C C 13 174.8120 0.0000 . 1 . . . . A 72 ILE C . 36261 1 834 . 1 . 1 75 75 ILE CA C 13 64.6990 0.0000 . 1 . . . . A 72 ILE CA . 36261 1 835 . 1 . 1 75 75 ILE CB C 13 38.4530 0.0000 . 1 . . . . A 72 ILE CB . 36261 1 836 . 1 . 1 75 75 ILE CG1 C 13 30.9030 0.0000 . 1 . . . . A 72 ILE CG1 . 36261 1 837 . 1 . 1 75 75 ILE CG2 C 13 15.0840 0.0000 . 1 . . . . A 72 ILE CG2 . 36261 1 838 . 1 . 1 75 75 ILE CD1 C 13 14.3650 0.0000 . 1 . . . . A 72 ILE CD1 . 36261 1 839 . 1 . 1 75 75 ILE N N 15 123.3870 0.0000 . 1 . . . . A 72 ILE N . 36261 1 840 . 1 . 1 76 76 ASN H H 1 8.4590 0.0000 . 1 . . . . A 73 ASN H . 36261 1 841 . 1 . 1 76 76 ASN HA H 1 4.9010 0.0000 . 1 . . . . A 73 ASN HA . 36261 1 842 . 1 . 1 76 76 ASN HB2 H 1 2.7960 0.0000 . 2 . . . . A 73 ASN HB2 . 36261 1 843 . 1 . 1 76 76 ASN HB3 H 1 2.9310 0.0000 . 2 . . . . A 73 ASN HB3 . 36261 1 844 . 1 . 1 76 76 ASN HD21 H 1 7.6070 0.0000 . 2 . . . . A 73 ASN HD21 . 36261 1 845 . 1 . 1 76 76 ASN HD22 H 1 7.0390 0.0000 . 2 . . . . A 73 ASN HD22 . 36261 1 846 . 1 . 1 76 76 ASN C C 13 174.2850 0.0000 . 1 . . . . A 73 ASN C . 36261 1 847 . 1 . 1 76 76 ASN CA C 13 53.9130 0.0000 . 1 . . . . A 73 ASN CA . 36261 1 848 . 1 . 1 76 76 ASN CB C 13 38.0940 0.0000 . 1 . . . . A 73 ASN CB . 36261 1 849 . 1 . 1 76 76 ASN N N 15 119.7340 0.0000 . 1 . . . . A 73 ASN N . 36261 1 850 . 1 . 1 76 76 ASN ND2 N 15 115.8570 0.0000 . 1 . . . . A 73 ASN ND2 . 36261 1 851 . 1 . 1 77 77 GLY H H 1 8.0690 0.0000 . 1 . . . . A 74 GLY H . 36261 1 852 . 1 . 1 77 77 GLY HA2 H 1 3.9020 0.0000 . 2 . . . . A 74 GLY HA2 . 36261 1 853 . 1 . 1 77 77 GLY HA3 H 1 4.7470 0.0000 . 2 . . . . A 74 GLY HA3 . 36261 1 854 . 1 . 1 77 77 GLY C C 13 171.6460 0.0000 . 1 . . . . A 74 GLY C . 36261 1 855 . 1 . 1 77 77 GLY CA C 13 43.8460 0.0000 . 1 . . . . A 74 GLY CA . 36261 1 856 . 1 . 1 77 77 GLY N N 15 110.7300 0.0000 . 1 . . . . A 74 GLY N . 36261 1 857 . 1 . 1 78 78 LYS H H 1 8.4520 0.0000 . 1 . . . . A 75 LYS H . 36261 1 858 . 1 . 1 78 78 LYS HA H 1 4.3950 0.0000 . 1 . . . . A 75 LYS HA . 36261 1 859 . 1 . 1 78 78 LYS HB2 H 1 1.8740 0.0000 . 1 . . . . A 75 LYS HB2 . 36261 1 860 . 1 . 1 78 78 LYS HB3 H 1 1.8140 0.0000 . 1 . . . . A 75 LYS HB3 . 36261 1 861 . 1 . 1 78 78 LYS HG2 H 1 1.2690 0.0000 . 2 . . . . A 75 LYS HG2 . 36261 1 862 . 1 . 1 78 78 LYS HG3 H 1 1.5890 0.0000 . 2 . . . . A 75 LYS HG3 . 36261 1 863 . 1 . 1 78 78 LYS HD2 H 1 1.7940 0.0000 . 2 . . . . A 75 LYS HD2 . 36261 1 864 . 1 . 1 78 78 LYS HD3 H 1 1.9150 0.0000 . 2 . . . . A 75 LYS HD3 . 36261 1 865 . 1 . 1 78 78 LYS HE2 H 1 3.0060 0.0000 . 2 . . . . A 75 LYS HE2 . 36261 1 866 . 1 . 1 78 78 LYS HE3 H 1 3.0430 0.0000 . 2 . . . . A 75 LYS HE3 . 36261 1 867 . 1 . 1 78 78 LYS C C 13 177.0140 0.0000 . 1 . . . . A 75 LYS C . 36261 1 868 . 1 . 1 78 78 LYS CA C 13 58.2280 0.0000 . 1 . . . . A 75 LYS CA . 36261 1 869 . 1 . 1 78 78 LYS CB C 13 32.5810 0.0000 . 1 . . . . A 75 LYS CB . 36261 1 870 . 1 . 1 78 78 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 75 LYS CG . 36261 1 871 . 1 . 1 78 78 LYS CD C 13 29.4650 0.0000 . 1 . . . . A 75 LYS CD . 36261 1 872 . 1 . 1 78 78 LYS CE C 13 40.9700 0.0000 . 1 . . . . A 75 LYS CE . 36261 1 873 . 1 . 1 78 78 LYS N N 15 119.4210 0.0000 . 1 . . . . A 75 LYS N . 36261 1 874 . 1 . 1 79 79 CYS H H 1 7.4040 0.0000 . 1 . . . . A 76 CYS H . 36261 1 875 . 1 . 1 79 79 CYS HA H 1 5.5210 0.0000 . 1 . . . . A 76 CYS HA . 36261 1 876 . 1 . 1 79 79 CYS HB2 H 1 2.7080 0.0000 . 2 . . . . A 76 CYS HB2 . 36261 1 877 . 1 . 1 79 79 CYS HB3 H 1 2.7710 0.0000 . 2 . . . . A 76 CYS HB3 . 36261 1 878 . 1 . 1 79 79 CYS C C 13 172.5850 0.0000 . 1 . . . . A 76 CYS C . 36261 1 879 . 1 . 1 79 79 CYS CA C 13 57.6110 0.0000 . 1 . . . . A 76 CYS CA . 36261 1 880 . 1 . 1 79 79 CYS CB C 13 32.5770 0.0000 . 1 . . . . A 76 CYS CB . 36261 1 881 . 1 . 1 79 79 CYS N N 15 119.9100 0.0000 . 1 . . . . A 76 CYS N . 36261 1 882 . 1 . 1 80 80 PHE H H 1 9.6880 0.0000 . 1 . . . . A 77 PHE H . 36261 1 883 . 1 . 1 80 80 PHE HA H 1 5.4170 0.0000 . 1 . . . . A 77 PHE HA . 36261 1 884 . 1 . 1 80 80 PHE HB3 H 1 2.6970 0.0000 . 2 . . . . A 77 PHE HB3 . 36261 1 885 . 1 . 1 80 80 PHE HD1 H 1 7.0720 0.0000 . 3 . . . . A 77 PHE HD1 . 36261 1 886 . 1 . 1 80 80 PHE HE1 H 1 7.1490 0.0000 . 3 . . . . A 77 PHE HE1 . 36261 1 887 . 1 . 1 80 80 PHE HZ H 1 7.3210 0.0000 . 1 . . . . A 77 PHE HZ . 36261 1 888 . 1 . 1 80 80 PHE C C 13 173.2830 0.0000 . 1 . . . . A 77 PHE C . 36261 1 889 . 1 . 1 80 80 PHE CA C 13 56.7900 0.0000 . 1 . . . . A 77 PHE CA . 36261 1 890 . 1 . 1 80 80 PHE CB C 13 42.4080 0.0000 . 1 . . . . A 77 PHE CB . 36261 1 891 . 1 . 1 80 80 PHE CD1 C 13 132.7770 0.0000 . 3 . . . . A 77 PHE CD1 . 36261 1 892 . 1 . 1 80 80 PHE CE1 C 13 132.1650 0.0000 . 3 . . . . A 77 PHE CE1 . 36261 1 893 . 1 . 1 80 80 PHE CZ C 13 129.9930 0.0000 . 1 . . . . A 77 PHE CZ . 36261 1 894 . 1 . 1 80 80 PHE N N 15 121.4980 0.0000 . 1 . . . . A 77 PHE N . 36261 1 895 . 1 . 1 81 81 PHE H H 1 8.9390 0.0000 . 1 . . . . A 78 PHE H . 36261 1 896 . 1 . 1 81 81 PHE HA H 1 4.5470 0.0000 . 1 . . . . A 78 PHE HA . 36261 1 897 . 1 . 1 81 81 PHE HB3 H 1 2.9600 0.0000 . 2 . . . . A 78 PHE HB3 . 36261 1 898 . 1 . 1 81 81 PHE HD1 H 1 5.6910 0.0000 . 3 . . . . A 78 PHE HD1 . 36261 1 899 . 1 . 1 81 81 PHE HE1 H 1 7.1110 0.0000 . 3 . . . . A 78 PHE HE1 . 36261 1 900 . 1 . 1 81 81 PHE C C 13 174.8970 0.0000 . 1 . . . . A 78 PHE C . 36261 1 901 . 1 . 1 81 81 PHE CA C 13 56.7900 0.0000 . 1 . . . . A 78 PHE CA . 36261 1 902 . 1 . 1 81 81 PHE CB C 13 40.9700 0.0000 . 1 . . . . A 78 PHE CB . 36261 1 903 . 1 . 1 81 81 PHE CD1 C 13 131.3490 0.0000 . 3 . . . . A 78 PHE CD1 . 36261 1 904 . 1 . 1 81 81 PHE CE1 C 13 131.6480 0.0000 . 3 . . . . A 78 PHE CE1 . 36261 1 905 . 1 . 1 81 81 PHE N N 15 130.7190 0.0000 . 1 . . . . A 78 PHE N . 36261 1 906 . 1 . 1 82 82 ILE H H 1 8.2880 0.0000 . 1 . . . . A 79 ILE H . 36261 1 907 . 1 . 1 82 82 ILE HA H 1 5.0990 0.0000 . 1 . . . . A 79 ILE HA . 36261 1 908 . 1 . 1 82 82 ILE HB H 1 1.0940 0.0000 . 1 . . . . A 79 ILE HB . 36261 1 909 . 1 . 1 82 82 ILE HG12 H 1 0.1240 0.0000 . 2 . . . . A 79 ILE HG12 . 36261 1 910 . 1 . 1 82 82 ILE HG13 H 1 0.8630 0.0000 . 2 . . . . A 79 ILE HG13 . 36261 1 911 . 1 . 1 82 82 ILE HG21 H 1 0.4340 0.0000 . 1 . . . . A 79 ILE HG21 . 36261 1 912 . 1 . 1 82 82 ILE HG22 H 1 0.4340 0.0000 . 1 . . . . A 79 ILE HG22 . 36261 1 913 . 1 . 1 82 82 ILE HG23 H 1 0.4340 0.0000 . 1 . . . . A 79 ILE HG23 . 36261 1 914 . 1 . 1 82 82 ILE HD11 H 1 0.0500 0.0000 . 1 . . . . A 79 ILE HD11 . 36261 1 915 . 1 . 1 82 82 ILE HD12 H 1 0.0500 0.0000 . 1 . . . . A 79 ILE HD12 . 36261 1 916 . 1 . 1 82 82 ILE HD13 H 1 0.0500 0.0000 . 1 . . . . A 79 ILE HD13 . 36261 1 917 . 1 . 1 82 82 ILE CA C 13 58.2280 0.0000 . 1 . . . . A 79 ILE CA . 36261 1 918 . 1 . 1 82 82 ILE CB C 13 43.1270 0.0000 . 1 . . . . A 79 ILE CB . 36261 1 919 . 1 . 1 82 82 ILE CG1 C 13 25.1500 0.0000 . 1 . . . . A 79 ILE CG1 . 36261 1 920 . 1 . 1 82 82 ILE CG2 C 13 17.9600 0.0000 . 1 . . . . A 79 ILE CG2 . 36261 1 921 . 1 . 1 82 82 ILE CD1 C 13 14.3650 0.0000 . 1 . . . . A 79 ILE CD1 . 36261 1 922 . 1 . 1 82 82 ILE N N 15 122.6640 0.0000 . 1 . . . . A 79 ILE N . 36261 1 923 . 1 . 1 83 83 HIS H H 1 8.0880 0.0000 . 1 . . . . A 80 HIS H . 36261 1 924 . 1 . 1 83 83 HIS HA H 1 4.9170 0.0000 . 1 . . . . A 80 HIS HA . 36261 1 925 . 1 . 1 83 83 HIS HB2 H 1 2.6320 0.0000 . 2 . . . . A 80 HIS HB2 . 36261 1 926 . 1 . 1 83 83 HIS HB3 H 1 2.9520 0.0000 . 2 . . . . A 80 HIS HB3 . 36261 1 927 . 1 . 1 83 83 HIS HD2 H 1 6.9720 0.0000 . 1 . . . . A 80 HIS HD2 . 36261 1 928 . 1 . 1 83 83 HIS HE1 H 1 8.4910 0.0000 . 1 . . . . A 80 HIS HE1 . 36261 1 929 . 1 . 1 83 83 HIS CA C 13 53.1940 0.0000 . 1 . . . . A 80 HIS CA . 36261 1 930 . 1 . 1 83 83 HIS CB C 13 31.6220 0.0000 . 1 . . . . A 80 HIS CB . 36261 1 931 . 1 . 1 83 83 HIS CD2 C 13 119.8000 0.0000 . 1 . . . . A 80 HIS CD2 . 36261 1 932 . 1 . 1 83 83 HIS CE1 C 13 136.7210 0.0000 . 1 . . . . A 80 HIS CE1 . 36261 1 933 . 1 . 1 83 83 HIS N N 15 117.3110 0.0000 . 1 . . . . A 80 HIS N . 36261 1 934 . 1 . 1 84 84 TYR H H 1 7.9800 0.0000 . 1 . . . . A 81 TYR H . 36261 1 935 . 1 . 1 84 84 TYR HA H 1 3.7790 0.0000 . 1 . . . . A 81 TYR HA . 36261 1 936 . 1 . 1 84 84 TYR HD1 H 1 6.4650 0.0000 . 3 . . . . A 81 TYR HD1 . 36261 1 937 . 1 . 1 84 84 TYR HE1 H 1 6.4700 0.0000 . 3 . . . . A 81 TYR HE1 . 36261 1 938 . 1 . 1 84 84 TYR CA C 13 58.2280 0.0000 . 1 . . . . A 81 TYR CA . 36261 1 939 . 1 . 1 84 84 TYR CD1 C 13 133.0230 0.0000 . 3 . . . . A 81 TYR CD1 . 36261 1 940 . 1 . 1 84 84 TYR CE1 C 13 117.0720 0.0000 . 3 . . . . A 81 TYR CE1 . 36261 1 941 . 1 . 1 84 84 TYR N N 15 129.5900 0.0000 . 1 . . . . A 81 TYR N . 36261 1 942 . 1 . 1 85 85 GLN H H 1 7.9520 0.0000 . 1 . . . . A 82 GLN H . 36261 1 943 . 1 . 1 85 85 GLN HA H 1 4.0150 0.0000 . 1 . . . . A 82 GLN HA . 36261 1 944 . 1 . 1 85 85 GLN HB2 H 1 1.7660 0.0000 . 2 . . . . A 82 GLN HB2 . 36261 1 945 . 1 . 1 85 85 GLN HB3 H 1 1.9440 0.0000 . 2 . . . . A 82 GLN HB3 . 36261 1 946 . 1 . 1 85 85 GLN HG2 H 1 2.1350 0.0000 . 2 . . . . A 82 GLN HG2 . 36261 1 947 . 1 . 1 85 85 GLN HG3 H 1 2.2800 0.0000 . 2 . . . . A 82 GLN HG3 . 36261 1 948 . 1 . 1 85 85 GLN HE21 H 1 7.5350 0.0000 . 2 . . . . A 82 GLN HE21 . 36261 1 949 . 1 . 1 85 85 GLN HE22 H 1 6.8300 0.0000 . 2 . . . . A 82 GLN HE22 . 36261 1 950 . 1 . 1 85 85 GLN CA C 13 56.7900 0.0000 . 1 . . . . A 82 GLN CA . 36261 1 951 . 1 . 1 85 85 GLN CB C 13 28.7460 0.0000 . 1 . . . . A 82 GLN CB . 36261 1 952 . 1 . 1 85 85 GLN CG C 13 33.0610 0.0000 . 1 . . . . A 82 GLN CG . 36261 1 953 . 1 . 1 85 85 GLN N N 15 123.5560 0.0000 . 1 . . . . A 82 GLN N . 36261 1 954 . 1 . 1 85 85 GLN NE2 N 15 112.7250 0.0000 . 1 . . . . A 82 GLN NE2 . 36261 1 955 . 1 . 1 86 86 GLY HA2 H 1 3.8590 0.0000 . 2 . . . . A 83 GLY HA2 . 36261 1 956 . 1 . 1 86 86 GLY HA3 H 1 4.2940 0.0000 . 2 . . . . A 83 GLY HA3 . 36261 1 957 . 1 . 1 86 86 GLY CA C 13 45.2840 0.0000 . 1 . . . . A 83 GLY CA . 36261 1 958 . 1 . 1 87 87 TRP H H 1 8.2030 0.0000 . 1 . . . . A 84 TRP H . 36261 1 959 . 1 . 1 87 87 TRP HA H 1 5.0010 0.0000 . 1 . . . . A 84 TRP HA . 36261 1 960 . 1 . 1 87 87 TRP HB2 H 1 3.1030 0.0000 . 2 . . . . A 84 TRP HB2 . 36261 1 961 . 1 . 1 87 87 TRP HB3 H 1 3.1740 0.0000 . 2 . . . . A 84 TRP HB3 . 36261 1 962 . 1 . 1 87 87 TRP HD1 H 1 6.8050 0.0000 . 1 . . . . A 84 TRP HD1 . 36261 1 963 . 1 . 1 87 87 TRP HE1 H 1 9.2410 0.0000 . 1 . . . . A 84 TRP HE1 . 36261 1 964 . 1 . 1 87 87 TRP HZ2 H 1 5.6740 0.0000 . 1 . . . . A 84 TRP HZ2 . 36261 1 965 . 1 . 1 87 87 TRP CA C 13 55.3510 0.0000 . 1 . . . . A 84 TRP CA . 36261 1 966 . 1 . 1 87 87 TRP CB C 13 30.9030 0.0000 . 1 . . . . A 84 TRP CB . 36261 1 967 . 1 . 1 87 87 TRP CD1 C 13 124.3910 0.0000 . 1 . . . . A 84 TRP CD1 . 36261 1 968 . 1 . 1 87 87 TRP CZ2 C 13 113.1760 0.0000 . 1 . . . . A 84 TRP CZ2 . 36261 1 969 . 1 . 1 87 87 TRP N N 15 123.8540 0.0000 . 1 . . . . A 84 TRP N . 36261 1 970 . 1 . 1 87 87 TRP NE1 N 15 127.6870 0.0000 . 1 . . . . A 84 TRP NE1 . 36261 1 971 . 1 . 1 88 88 LYS H H 1 8.7190 0.0000 . 1 . . . . A 85 LYS H . 36261 1 972 . 1 . 1 88 88 LYS HB3 H 1 2.1760 0.0000 . 2 . . . . A 85 LYS HB3 . 36261 1 973 . 1 . 1 88 88 LYS HG2 H 1 1.6800 0.0000 . 2 . . . . A 85 LYS HG2 . 36261 1 974 . 1 . 1 88 88 LYS HG3 H 1 1.8840 0.0000 . 2 . . . . A 85 LYS HG3 . 36261 1 975 . 1 . 1 88 88 LYS CB C 13 33.0610 0.0000 . 1 . . . . A 85 LYS CB . 36261 1 976 . 1 . 1 88 88 LYS N N 15 120.9250 0.0000 . 1 . . . . A 85 LYS N . 36261 1 977 . 1 . 1 89 89 SER HA H 1 4.7120 0.0000 . 1 . . . . A 86 SER HA . 36261 1 978 . 1 . 1 89 89 SER HB3 H 1 4.0180 0.0000 . 2 . . . . A 86 SER HB3 . 36261 1 979 . 1 . 1 89 89 SER C C 13 175.4770 0.0000 . 1 . . . . A 86 SER C . 36261 1 980 . 1 . 1 89 89 SER CA C 13 61.1870 0.0000 . 1 . . . . A 86 SER CA . 36261 1 981 . 1 . 1 89 89 SER CB C 13 62.5420 0.0000 . 1 . . . . A 86 SER CB . 36261 1 982 . 1 . 1 90 90 SER H H 1 7.7210 0.0000 . 1 . . . . A 87 SER H . 36261 1 983 . 1 . 1 90 90 SER HA H 1 4.2560 0.0000 . 1 . . . . A 87 SER HA . 36261 1 984 . 1 . 1 90 90 SER HB3 H 1 3.7070 0.0000 . 2 . . . . A 87 SER HB3 . 36261 1 985 . 1 . 1 90 90 SER C C 13 175.2550 0.0000 . 1 . . . . A 87 SER C . 36261 1 986 . 1 . 1 90 90 SER CA C 13 59.6660 0.0000 . 1 . . . . A 87 SER CA . 36261 1 987 . 1 . 1 90 90 SER CB C 13 61.8230 0.0000 . 1 . . . . A 87 SER CB . 36261 1 988 . 1 . 1 90 90 SER N N 15 117.3410 0.0000 . 1 . . . . A 87 SER N . 36261 1 989 . 1 . 1 91 91 TRP H H 1 7.6930 0.0000 . 1 . . . . A 88 TRP H . 36261 1 990 . 1 . 1 91 91 TRP HA H 1 4.7280 0.0000 . 1 . . . . A 88 TRP HA . 36261 1 991 . 1 . 1 91 91 TRP HB2 H 1 3.5530 0.0000 . 2 . . . . A 88 TRP HB2 . 36261 1 992 . 1 . 1 91 91 TRP HB3 H 1 3.6240 0.0000 . 2 . . . . A 88 TRP HB3 . 36261 1 993 . 1 . 1 91 91 TRP HD1 H 1 7.3400 0.0000 . 1 . . . . A 88 TRP HD1 . 36261 1 994 . 1 . 1 91 91 TRP HE1 H 1 9.8600 0.0000 . 1 . . . . A 88 TRP HE1 . 36261 1 995 . 1 . 1 91 91 TRP HE3 H 1 7.6190 0.0000 . 1 . . . . A 88 TRP HE3 . 36261 1 996 . 1 . 1 91 91 TRP HZ2 H 1 7.1430 0.0000 . 1 . . . . A 88 TRP HZ2 . 36261 1 997 . 1 . 1 91 91 TRP HZ3 H 1 6.8520 0.0000 . 1 . . . . A 88 TRP HZ3 . 36261 1 998 . 1 . 1 91 91 TRP HH2 H 1 6.9730 0.0000 . 1 . . . . A 88 TRP HH2 . 36261 1 999 . 1 . 1 91 91 TRP C C 13 174.9310 0.0000 . 1 . . . . A 88 TRP C . 36261 1 1000 . 1 . 1 91 91 TRP CA C 13 56.7900 0.0000 . 1 . . . . A 88 TRP CA . 36261 1 1001 . 1 . 1 91 91 TRP CB C 13 30.1840 0.0000 . 1 . . . . A 88 TRP CB . 36261 1 1002 . 1 . 1 91 91 TRP CD1 C 13 127.5200 0.0000 . 1 . . . . A 88 TRP CD1 . 36261 1 1003 . 1 . 1 91 91 TRP CE3 C 13 121.2370 0.0000 . 1 . . . . A 88 TRP CE3 . 36261 1 1004 . 1 . 1 91 91 TRP CZ2 C 13 114.4930 0.0000 . 1 . . . . A 88 TRP CZ2 . 36261 1 1005 . 1 . 1 91 91 TRP CZ3 C 13 121.9610 0.0000 . 1 . . . . A 88 TRP CZ3 . 36261 1 1006 . 1 . 1 91 91 TRP CH2 C 13 124.7410 0.0000 . 1 . . . . A 88 TRP CH2 . 36261 1 1007 . 1 . 1 91 91 TRP N N 15 122.1750 0.0000 . 1 . . . . A 88 TRP N . 36261 1 1008 . 1 . 1 91 91 TRP NE1 N 15 128.9130 0.0000 . 1 . . . . A 88 TRP NE1 . 36261 1 1009 . 1 . 1 92 92 ASP H H 1 7.7770 0.0000 . 1 . . . . A 89 ASP H . 36261 1 1010 . 1 . 1 92 92 ASP HA H 1 4.7020 0.0000 . 1 . . . . A 89 ASP HA . 36261 1 1011 . 1 . 1 92 92 ASP HB2 H 1 2.5840 0.0000 . 1 . . . . A 89 ASP HB2 . 36261 1 1012 . 1 . 1 92 92 ASP HB3 H 1 2.1820 0.0000 . 1 . . . . A 89 ASP HB3 . 36261 1 1013 . 1 . 1 92 92 ASP C C 13 176.3970 0.0000 . 1 . . . . A 89 ASP C . 36261 1 1014 . 1 . 1 92 92 ASP CA C 13 55.3510 0.0000 . 1 . . . . A 89 ASP CA . 36261 1 1015 . 1 . 1 92 92 ASP CB C 13 40.2510 0.0000 . 1 . . . . A 89 ASP CB . 36261 1 1016 . 1 . 1 92 92 ASP N N 15 123.1070 0.0000 . 1 . . . . A 89 ASP N . 36261 1 1017 . 1 . 1 93 93 GLU H H 1 7.4050 0.0000 . 1 . . . . A 90 GLU H . 36261 1 1018 . 1 . 1 93 93 GLU HA H 1 4.7340 0.0000 . 1 . . . . A 90 GLU HA . 36261 1 1019 . 1 . 1 93 93 GLU HB3 H 1 2.2740 0.0000 . 2 . . . . A 90 GLU HB3 . 36261 1 1020 . 1 . 1 93 93 GLU HG2 H 1 2.1340 0.0000 . 2 . . . . A 90 GLU HG2 . 36261 1 1021 . 1 . 1 93 93 GLU HG3 H 1 2.5300 0.0000 . 2 . . . . A 90 GLU HG3 . 36261 1 1022 . 1 . 1 93 93 GLU C C 13 174.0010 0.0000 . 1 . . . . A 90 GLU C . 36261 1 1023 . 1 . 1 93 93 GLU CA C 13 54.6320 0.0000 . 1 . . . . A 90 GLU CA . 36261 1 1024 . 1 . 1 93 93 GLU CB C 13 33.0610 0.0000 . 1 . . . . A 90 GLU CB . 36261 1 1025 . 1 . 1 93 93 GLU CG C 13 34.4990 0.0000 . 1 . . . . A 90 GLU CG . 36261 1 1026 . 1 . 1 93 93 GLU N N 15 118.6570 0.0000 . 1 . . . . A 90 GLU N . 36261 1 1027 . 1 . 1 94 94 TRP H H 1 8.7190 0.0000 . 1 . . . . A 91 TRP H . 36261 1 1028 . 1 . 1 94 94 TRP HA H 1 5.3240 0.0000 . 1 . . . . A 91 TRP HA . 36261 1 1029 . 1 . 1 94 94 TRP HB2 H 1 2.9070 0.0000 . 2 . . . . A 91 TRP HB2 . 36261 1 1030 . 1 . 1 94 94 TRP HB3 H 1 3.1860 0.0000 . 2 . . . . A 91 TRP HB3 . 36261 1 1031 . 1 . 1 94 94 TRP HD1 H 1 7.5820 0.0000 . 1 . . . . A 91 TRP HD1 . 36261 1 1032 . 1 . 1 94 94 TRP HE1 H 1 9.9220 0.0000 . 1 . . . . A 91 TRP HE1 . 36261 1 1033 . 1 . 1 94 94 TRP HE3 H 1 6.7070 0.0000 . 1 . . . . A 91 TRP HE3 . 36261 1 1034 . 1 . 1 94 94 TRP HZ2 H 1 6.5410 0.0000 . 1 . . . . A 91 TRP HZ2 . 36261 1 1035 . 1 . 1 94 94 TRP HZ3 H 1 6.7180 0.0000 . 1 . . . . A 91 TRP HZ3 . 36261 1 1036 . 1 . 1 94 94 TRP HH2 H 1 6.4020 0.0000 . 1 . . . . A 91 TRP HH2 . 36261 1 1037 . 1 . 1 94 94 TRP C C 13 176.0160 0.0000 . 1 . . . . A 91 TRP C . 36261 1 1038 . 1 . 1 94 94 TRP CA C 13 56.7900 0.0000 . 1 . . . . A 91 TRP CA . 36261 1 1039 . 1 . 1 94 94 TRP CB C 13 30.9030 0.0000 . 1 . . . . A 91 TRP CB . 36261 1 1040 . 1 . 1 94 94 TRP CD1 C 13 128.7100 0.0000 . 1 . . . . A 91 TRP CD1 . 36261 1 1041 . 1 . 1 94 94 TRP CE3 C 13 122.3660 0.0000 . 1 . . . . A 91 TRP CE3 . 36261 1 1042 . 1 . 1 94 94 TRP CZ2 C 13 114.1750 0.0000 . 1 . . . . A 91 TRP CZ2 . 36261 1 1043 . 1 . 1 94 94 TRP CZ3 C 13 121.9010 0.0000 . 1 . . . . A 91 TRP CZ3 . 36261 1 1044 . 1 . 1 94 94 TRP CH2 C 13 124.0580 0.0000 . 1 . . . . A 91 TRP CH2 . 36261 1 1045 . 1 . 1 94 94 TRP N N 15 122.2010 0.0000 . 1 . . . . A 91 TRP N . 36261 1 1046 . 1 . 1 94 94 TRP NE1 N 15 132.2810 0.0000 . 1 . . . . A 91 TRP NE1 . 36261 1 1047 . 1 . 1 95 95 VAL H H 1 9.6560 0.0000 . 1 . . . . A 92 VAL H . 36261 1 1048 . 1 . 1 95 95 VAL HA H 1 4.8630 0.0000 . 1 . . . . A 92 VAL HA . 36261 1 1049 . 1 . 1 95 95 VAL HB H 1 2.3280 0.0000 . 1 . . . . A 92 VAL HB . 36261 1 1050 . 1 . 1 95 95 VAL HG11 H 1 0.9430 0.0000 . 2 . . . . A 92 VAL HG11 . 36261 1 1051 . 1 . 1 95 95 VAL HG12 H 1 0.9430 0.0000 . 2 . . . . A 92 VAL HG12 . 36261 1 1052 . 1 . 1 95 95 VAL HG13 H 1 0.9430 0.0000 . 2 . . . . A 92 VAL HG13 . 36261 1 1053 . 1 . 1 95 95 VAL C C 13 175.4550 0.0000 . 1 . . . . A 92 VAL C . 36261 1 1054 . 1 . 1 95 95 VAL CA C 13 58.9470 0.0000 . 1 . . . . A 92 VAL CA . 36261 1 1055 . 1 . 1 95 95 VAL CB C 13 35.9370 0.0000 . 1 . . . . A 92 VAL CB . 36261 1 1056 . 1 . 1 95 95 VAL CG1 C 13 21.5550 0.0000 . 1 . . . . A 92 VAL CG1 . 36261 1 1057 . 1 . 1 95 95 VAL N N 15 115.8700 0.0000 . 1 . . . . A 92 VAL N . 36261 1 1058 . 1 . 1 96 96 GLY H H 1 9.2310 0.0000 . 1 . . . . A 93 GLY H . 36261 1 1059 . 1 . 1 96 96 GLY HA2 H 1 4.0080 0.0000 . 2 . . . . A 93 GLY HA2 . 36261 1 1060 . 1 . 1 96 96 GLY HA3 H 1 5.0080 0.0000 . 2 . . . . A 93 GLY HA3 . 36261 1 1061 . 1 . 1 96 96 GLY C C 13 175.1420 0.0000 . 1 . . . . A 93 GLY C . 36261 1 1062 . 1 . 1 96 96 GLY CA C 13 43.1270 0.0000 . 1 . . . . A 93 GLY CA . 36261 1 1063 . 1 . 1 96 96 GLY N N 15 110.8480 0.0000 . 1 . . . . A 93 GLY N . 36261 1 1064 . 1 . 1 97 97 TYR H H 1 8.5320 0.0000 . 1 . . . . A 94 TYR H . 36261 1 1065 . 1 . 1 97 97 TYR HA H 1 4.3880 0.0000 . 1 . . . . A 94 TYR HA . 36261 1 1066 . 1 . 1 97 97 TYR HB3 H 1 3.2520 0.0000 . 2 . . . . A 94 TYR HB3 . 36261 1 1067 . 1 . 1 97 97 TYR HD1 H 1 7.3770 0.0000 . 3 . . . . A 94 TYR HD1 . 36261 1 1068 . 1 . 1 97 97 TYR HE1 H 1 7.0600 0.0000 . 3 . . . . A 94 TYR HE1 . 36261 1 1069 . 1 . 1 97 97 TYR C C 13 176.6100 0.0000 . 1 . . . . A 94 TYR C . 36261 1 1070 . 1 . 1 97 97 TYR CA C 13 61.1040 0.0000 . 1 . . . . A 94 TYR CA . 36261 1 1071 . 1 . 1 97 97 TYR CB C 13 38.8130 0.0000 . 1 . . . . A 94 TYR CB . 36261 1 1072 . 1 . 1 97 97 TYR CD1 C 13 133.4080 0.0000 . 3 . . . . A 94 TYR CD1 . 36261 1 1073 . 1 . 1 97 97 TYR CE1 C 13 118.9250 0.0000 . 3 . . . . A 94 TYR CE1 . 36261 1 1074 . 1 . 1 97 97 TYR N N 15 118.9730 0.0000 . 1 . . . . A 94 TYR N . 36261 1 1075 . 1 . 1 98 98 ASP H H 1 8.7860 0.0000 . 1 . . . . A 95 ASP H . 36261 1 1076 . 1 . 1 98 98 ASP HA H 1 4.4930 0.0000 . 1 . . . . A 95 ASP HA . 36261 1 1077 . 1 . 1 98 98 ASP HB3 H 1 2.6960 0.0000 . 2 . . . . A 95 ASP HB3 . 36261 1 1078 . 1 . 1 98 98 ASP C C 13 178.0670 0.0000 . 1 . . . . A 95 ASP C . 36261 1 1079 . 1 . 1 98 98 ASP CA C 13 56.0710 0.0000 . 1 . . . . A 95 ASP CA . 36261 1 1080 . 1 . 1 98 98 ASP CB C 13 39.5320 0.0000 . 1 . . . . A 95 ASP CB . 36261 1 1081 . 1 . 1 98 98 ASP N N 15 116.2740 0.0000 . 1 . . . . A 95 ASP N . 36261 1 1082 . 1 . 1 99 99 ARG H H 1 7.7760 0.0000 . 1 . . . . A 96 ARG H . 36261 1 1083 . 1 . 1 99 99 ARG HA H 1 4.6370 0.0000 . 1 . . . . A 96 ARG HA . 36261 1 1084 . 1 . 1 99 99 ARG HB3 H 1 2.4980 0.0000 . 2 . . . . A 96 ARG HB3 . 36261 1 1085 . 1 . 1 99 99 ARG HG3 H 1 1.6930 0.0000 . 2 . . . . A 96 ARG HG3 . 36261 1 1086 . 1 . 1 99 99 ARG HD2 H 1 3.3390 0.0000 . 2 . . . . A 96 ARG HD2 . 36261 1 1087 . 1 . 1 99 99 ARG HD3 H 1 3.4420 0.0000 . 2 . . . . A 96 ARG HD3 . 36261 1 1088 . 1 . 1 99 99 ARG C C 13 174.9830 0.0000 . 1 . . . . A 96 ARG C . 36261 1 1089 . 1 . 1 99 99 ARG CA C 13 56.7900 0.0000 . 1 . . . . A 96 ARG CA . 36261 1 1090 . 1 . 1 99 99 ARG CB C 13 32.3410 0.0000 . 1 . . . . A 96 ARG CB . 36261 1 1091 . 1 . 1 99 99 ARG CG C 13 27.3080 0.0000 . 1 . . . . A 96 ARG CG . 36261 1 1092 . 1 . 1 99 99 ARG CD C 13 43.1270 0.0000 . 1 . . . . A 96 ARG CD . 36261 1 1093 . 1 . 1 99 99 ARG N N 15 119.6370 0.0000 . 1 . . . . A 96 ARG N . 36261 1 1094 . 1 . 1 100 100 ILE H H 1 7.4860 0.0000 . 1 . . . . A 97 ILE H . 36261 1 1095 . 1 . 1 100 100 ILE HA H 1 5.1110 0.0000 . 1 . . . . A 97 ILE HA . 36261 1 1096 . 1 . 1 100 100 ILE HB H 1 1.4060 0.0000 . 1 . . . . A 97 ILE HB . 36261 1 1097 . 1 . 1 100 100 ILE HG12 H 1 0.7960 0.0000 . 2 . . . . A 97 ILE HG12 . 36261 1 1098 . 1 . 1 100 100 ILE HG13 H 1 0.8960 0.0000 . 2 . . . . A 97 ILE HG13 . 36261 1 1099 . 1 . 1 100 100 ILE HG21 H 1 0.3700 0.0000 . 1 . . . . A 97 ILE HG21 . 36261 1 1100 . 1 . 1 100 100 ILE HG22 H 1 0.3700 0.0000 . 1 . . . . A 97 ILE HG22 . 36261 1 1101 . 1 . 1 100 100 ILE HG23 H 1 0.3700 0.0000 . 1 . . . . A 97 ILE HG23 . 36261 1 1102 . 1 . 1 100 100 ILE HD11 H 1 -0.4800 0.0000 . 1 . . . . A 97 ILE HD11 . 36261 1 1103 . 1 . 1 100 100 ILE HD12 H 1 -0.4800 0.0000 . 1 . . . . A 97 ILE HD12 . 36261 1 1104 . 1 . 1 100 100 ILE HD13 H 1 -0.4800 0.0000 . 1 . . . . A 97 ILE HD13 . 36261 1 1105 . 1 . 1 100 100 ILE C C 13 175.2560 0.0000 . 1 . . . . A 97 ILE C . 36261 1 1106 . 1 . 1 100 100 ILE CA C 13 59.6660 0.0000 . 1 . . . . A 97 ILE CA . 36261 1 1107 . 1 . 1 100 100 ILE CB C 13 40.9700 0.0000 . 1 . . . . A 97 ILE CB . 36261 1 1108 . 1 . 1 100 100 ILE CG1 C 13 27.3080 0.0000 . 1 . . . . A 97 ILE CG1 . 36261 1 1109 . 1 . 1 100 100 ILE CG2 C 13 16.5220 0.0000 . 1 . . . . A 97 ILE CG2 . 36261 1 1110 . 1 . 1 100 100 ILE CD1 C 13 12.2080 0.0000 . 1 . . . . A 97 ILE CD1 . 36261 1 1111 . 1 . 1 100 100 ILE N N 15 117.1790 0.0000 . 1 . . . . A 97 ILE N . 36261 1 1112 . 1 . 1 101 101 ARG H H 1 9.2640 0.0000 . 1 . . . . A 98 ARG H . 36261 1 1113 . 1 . 1 101 101 ARG HA H 1 4.9220 0.0000 . 1 . . . . A 98 ARG HA . 36261 1 1114 . 1 . 1 101 101 ARG HB2 H 1 1.4550 0.0000 . 2 . . . . A 98 ARG HB2 . 36261 1 1115 . 1 . 1 101 101 ARG HB3 H 1 1.9390 0.0000 . 2 . . . . A 98 ARG HB3 . 36261 1 1116 . 1 . 1 101 101 ARG HG3 H 1 1.5750 0.0000 . 2 . . . . A 98 ARG HG3 . 36261 1 1117 . 1 . 1 101 101 ARG HD2 H 1 3.1860 0.0000 . 2 . . . . A 98 ARG HD2 . 36261 1 1118 . 1 . 1 101 101 ARG HD3 H 1 3.7100 0.0000 . 2 . . . . A 98 ARG HD3 . 36261 1 1119 . 1 . 1 101 101 ARG C C 13 174.8050 0.0000 . 1 . . . . A 98 ARG C . 36261 1 1120 . 1 . 1 101 101 ARG CA C 13 52.4750 0.0000 . 1 . . . . A 98 ARG CA . 36261 1 1121 . 1 . 1 101 101 ARG CB C 13 34.4990 0.0000 . 1 . . . . A 98 ARG CB . 36261 1 1122 . 1 . 1 101 101 ARG CG C 13 27.3080 0.0000 . 1 . . . . A 98 ARG CG . 36261 1 1123 . 1 . 1 101 101 ARG CD C 13 42.4080 0.0000 . 1 . . . . A 98 ARG CD . 36261 1 1124 . 1 . 1 101 101 ARG N N 15 124.9650 0.0000 . 1 . . . . A 98 ARG N . 36261 1 1125 . 1 . 1 102 102 ALA H H 1 8.9090 0.0000 . 1 . . . . A 99 ALA H . 36261 1 1126 . 1 . 1 102 102 ALA HA H 1 4.3800 0.0000 . 1 . . . . A 99 ALA HA . 36261 1 1127 . 1 . 1 102 102 ALA HB1 H 1 1.2280 0.0000 . 1 . . . . A 99 ALA HB1 . 36261 1 1128 . 1 . 1 102 102 ALA HB2 H 1 1.2280 0.0000 . 1 . . . . A 99 ALA HB2 . 36261 1 1129 . 1 . 1 102 102 ALA HB3 H 1 1.2280 0.0000 . 1 . . . . A 99 ALA HB3 . 36261 1 1130 . 1 . 1 102 102 ALA C C 13 177.1630 0.0000 . 1 . . . . A 99 ALA C . 36261 1 1131 . 1 . 1 102 102 ALA CA C 13 52.4750 0.0000 . 1 . . . . A 99 ALA CA . 36261 1 1132 . 1 . 1 102 102 ALA CB C 13 18.6790 0.0000 . 1 . . . . A 99 ALA CB . 36261 1 1133 . 1 . 1 102 102 ALA N N 15 125.3100 0.0000 . 1 . . . . A 99 ALA N . 36261 1 1134 . 1 . 1 103 103 TYR H H 1 9.3110 0.0000 . 1 . . . . A 100 TYR H . 36261 1 1135 . 1 . 1 103 103 TYR HA H 1 4.0920 0.0000 . 1 . . . . A 100 TYR HA . 36261 1 1136 . 1 . 1 103 103 TYR HB2 H 1 2.2560 0.0000 . 1 . . . . A 100 TYR HB2 . 36261 1 1137 . 1 . 1 103 103 TYR HB3 H 1 3.3740 0.0000 . 1 . . . . A 100 TYR HB3 . 36261 1 1138 . 1 . 1 103 103 TYR HD1 H 1 6.8530 0.0000 . 3 . . . . A 100 TYR HD1 . 36261 1 1139 . 1 . 1 103 103 TYR HE1 H 1 6.6820 0.0000 . 3 . . . . A 100 TYR HE1 . 36261 1 1140 . 1 . 1 103 103 TYR C C 13 173.0390 0.0000 . 1 . . . . A 100 TYR C . 36261 1 1141 . 1 . 1 103 103 TYR CA C 13 58.9470 0.0000 . 1 . . . . A 100 TYR CA . 36261 1 1142 . 1 . 1 103 103 TYR CB C 13 38.0940 0.0000 . 1 . . . . A 100 TYR CB . 36261 1 1143 . 1 . 1 103 103 TYR CD1 C 13 132.7920 0.0000 . 3 . . . . A 100 TYR CD1 . 36261 1 1144 . 1 . 1 103 103 TYR CE1 C 13 118.5690 0.0000 . 3 . . . . A 100 TYR CE1 . 36261 1 1145 . 1 . 1 103 103 TYR N N 15 124.3050 0.0000 . 1 . . . . A 100 TYR N . 36261 1 1146 . 1 . 1 104 104 ASN H H 1 7.1650 0.0000 . 1 . . . . A 101 ASN H . 36261 1 1147 . 1 . 1 104 104 ASN HA H 1 4.6980 0.0000 . 1 . . . . A 101 ASN HA . 36261 1 1148 . 1 . 1 104 104 ASN HB2 H 1 3.1670 0.0000 . 1 . . . . A 101 ASN HB2 . 36261 1 1149 . 1 . 1 104 104 ASN HB3 H 1 2.9380 0.0000 . 1 . . . . A 101 ASN HB3 . 36261 1 1150 . 1 . 1 104 104 ASN HD21 H 1 7.5300 0.0000 . 2 . . . . A 101 ASN HD21 . 36261 1 1151 . 1 . 1 104 104 ASN HD22 H 1 6.6340 0.0000 . 2 . . . . A 101 ASN HD22 . 36261 1 1152 . 1 . 1 104 104 ASN C C 13 174.3240 0.0000 . 1 . . . . A 101 ASN C . 36261 1 1153 . 1 . 1 104 104 ASN CA C 13 50.3180 0.0000 . 1 . . . . A 101 ASN CA . 36261 1 1154 . 1 . 1 104 104 ASN CB C 13 38.8130 0.0000 . 1 . . . . A 101 ASN CB . 36261 1 1155 . 1 . 1 104 104 ASN N N 15 124.6620 0.0000 . 1 . . . . A 101 ASN N . 36261 1 1156 . 1 . 1 104 104 ASN ND2 N 15 112.1910 0.0000 . 1 . . . . A 101 ASN ND2 . 36261 1 1157 . 1 . 1 105 105 GLU H H 1 8.7300 0.0000 . 1 . . . . A 102 GLU H . 36261 1 1158 . 1 . 1 105 105 GLU HA H 1 3.8500 0.0000 . 1 . . . . A 102 GLU HA . 36261 1 1159 . 1 . 1 105 105 GLU HB3 H 1 2.0240 0.0000 . 2 . . . . A 102 GLU HB3 . 36261 1 1160 . 1 . 1 105 105 GLU HG3 H 1 2.3420 0.0000 . 2 . . . . A 102 GLU HG3 . 36261 1 1161 . 1 . 1 105 105 GLU C C 13 178.9520 0.0000 . 1 . . . . A 102 GLU C . 36261 1 1162 . 1 . 1 105 105 GLU CA C 13 60.3850 0.0000 . 1 . . . . A 102 GLU CA . 36261 1 1163 . 1 . 1 105 105 GLU CB C 13 29.4650 0.0000 . 1 . . . . A 102 GLU CB . 36261 1 1164 . 1 . 1 105 105 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 102 GLU CG . 36261 1 1165 . 1 . 1 105 105 GLU N N 15 119.3620 0.0000 . 1 . . . . A 102 GLU N . 36261 1 1166 . 1 . 1 106 106 GLU H H 1 8.6100 0.0000 . 1 . . . . A 103 GLU H . 36261 1 1167 . 1 . 1 106 106 GLU HA H 1 4.0890 0.0000 . 1 . . . . A 103 GLU HA . 36261 1 1168 . 1 . 1 106 106 GLU HB3 H 1 2.0070 0.0000 . 1 . . . . A 103 GLU HB3 . 36261 1 1169 . 1 . 1 106 106 GLU HG3 H 1 2.2240 0.0000 . 2 . . . . A 103 GLU HG3 . 36261 1 1170 . 1 . 1 106 106 GLU C C 13 179.3520 0.0000 . 1 . . . . A 103 GLU C . 36261 1 1171 . 1 . 1 106 106 GLU CA C 13 59.6660 0.0000 . 1 . . . . A 103 GLU CA . 36261 1 1172 . 1 . 1 106 106 GLU CB C 13 29.4650 0.0000 . 1 . . . . A 103 GLU CB . 36261 1 1173 . 1 . 1 106 106 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 103 GLU CG . 36261 1 1174 . 1 . 1 106 106 GLU N N 15 122.3630 0.0000 . 1 . . . . A 103 GLU N . 36261 1 1175 . 1 . 1 107 107 ASN H H 1 8.7530 0.0000 . 1 . . . . A 104 ASN H . 36261 1 1176 . 1 . 1 107 107 ASN HA H 1 4.7040 0.0000 . 1 . . . . A 104 ASN HA . 36261 1 1177 . 1 . 1 107 107 ASN HB2 H 1 2.3190 0.0000 . 2 . . . . A 104 ASN HB2 . 36261 1 1178 . 1 . 1 107 107 ASN HB3 H 1 2.8860 0.0000 . 2 . . . . A 104 ASN HB3 . 36261 1 1179 . 1 . 1 107 107 ASN HD21 H 1 8.6680 0.0000 . 2 . . . . A 104 ASN HD21 . 36261 1 1180 . 1 . 1 107 107 ASN HD22 H 1 7.1690 0.0000 . 2 . . . . A 104 ASN HD22 . 36261 1 1181 . 1 . 1 107 107 ASN C C 13 177.7570 0.0000 . 1 . . . . A 104 ASN C . 36261 1 1182 . 1 . 1 107 107 ASN CA C 13 55.3520 0.0000 . 1 . . . . A 104 ASN CA . 36261 1 1183 . 1 . 1 107 107 ASN CB C 13 38.0940 0.0000 . 1 . . . . A 104 ASN CB . 36261 1 1184 . 1 . 1 107 107 ASN N N 15 120.8320 0.0000 . 1 . . . . A 104 ASN N . 36261 1 1185 . 1 . 1 107 107 ASN ND2 N 15 116.1180 0.0000 . 1 . . . . A 104 ASN ND2 . 36261 1 1186 . 1 . 1 108 108 ILE H H 1 8.4890 0.0000 . 1 . . . . A 105 ILE H . 36261 1 1187 . 1 . 1 108 108 ILE HA H 1 3.5470 0.0000 . 1 . . . . A 105 ILE HA . 36261 1 1188 . 1 . 1 108 108 ILE HB H 1 1.7660 0.0000 . 1 . . . . A 105 ILE HB . 36261 1 1189 . 1 . 1 108 108 ILE HG12 H 1 0.6770 0.0000 . 2 . . . . A 105 ILE HG12 . 36261 1 1190 . 1 . 1 108 108 ILE HG13 H 1 1.2930 0.0000 . 2 . . . . A 105 ILE HG13 . 36261 1 1191 . 1 . 1 108 108 ILE HG21 H 1 0.8360 0.0000 . 1 . . . . A 105 ILE HG21 . 36261 1 1192 . 1 . 1 108 108 ILE HG22 H 1 0.8360 0.0000 . 1 . . . . A 105 ILE HG22 . 36261 1 1193 . 1 . 1 108 108 ILE HG23 H 1 0.8360 0.0000 . 1 . . . . A 105 ILE HG23 . 36261 1 1194 . 1 . 1 108 108 ILE HD11 H 1 0.2500 0.0000 . 1 . . . . A 105 ILE HD11 . 36261 1 1195 . 1 . 1 108 108 ILE HD12 H 1 0.2500 0.0000 . 1 . . . . A 105 ILE HD12 . 36261 1 1196 . 1 . 1 108 108 ILE HD13 H 1 0.2500 0.0000 . 1 . . . . A 105 ILE HD13 . 36261 1 1197 . 1 . 1 108 108 ILE C C 13 177.9470 0.0000 . 1 . . . . A 105 ILE C . 36261 1 1198 . 1 . 1 108 108 ILE CA C 13 64.6990 0.0000 . 1 . . . . A 105 ILE CA . 36261 1 1199 . 1 . 1 108 108 ILE CB C 13 37.3750 0.0000 . 1 . . . . A 105 ILE CB . 36261 1 1200 . 1 . 1 108 108 ILE CG1 C 13 29.4650 0.0000 . 1 . . . . A 105 ILE CG1 . 36261 1 1201 . 1 . 1 108 108 ILE CG2 C 13 17.2410 0.0000 . 1 . . . . A 105 ILE CG2 . 36261 1 1202 . 1 . 1 108 108 ILE CD1 C 13 12.2080 0.0000 . 1 . . . . A 105 ILE CD1 . 36261 1 1203 . 1 . 1 108 108 ILE N N 15 125.0070 0.0000 . 1 . . . . A 105 ILE N . 36261 1 1204 . 1 . 1 109 109 ALA H H 1 7.9240 0.0000 . 1 . . . . A 106 ALA H . 36261 1 1205 . 1 . 1 109 109 ALA HA H 1 4.1270 0.0000 . 1 . . . . A 106 ALA HA . 36261 1 1206 . 1 . 1 109 109 ALA HB1 H 1 1.5250 0.0000 . 1 . . . . A 106 ALA HB1 . 36261 1 1207 . 1 . 1 109 109 ALA HB2 H 1 1.5250 0.0000 . 1 . . . . A 106 ALA HB2 . 36261 1 1208 . 1 . 1 109 109 ALA HB3 H 1 1.5250 0.0000 . 1 . . . . A 106 ALA HB3 . 36261 1 1209 . 1 . 1 109 109 ALA C C 13 180.9940 0.0000 . 1 . . . . A 106 ALA C . 36261 1 1210 . 1 . 1 109 109 ALA CA C 13 55.3510 0.0000 . 1 . . . . A 106 ALA CA . 36261 1 1211 . 1 . 1 109 109 ALA CB C 13 17.2410 0.0000 . 1 . . . . A 106 ALA CB . 36261 1 1212 . 1 . 1 109 109 ALA N N 15 123.8740 0.0000 . 1 . . . . A 106 ALA N . 36261 1 1213 . 1 . 1 110 110 MET H H 1 7.7560 0.0000 . 1 . . . . A 107 MET H . 36261 1 1214 . 1 . 1 110 110 MET HA H 1 4.1740 0.0000 . 1 . . . . A 107 MET HA . 36261 1 1215 . 1 . 1 110 110 MET HB3 H 1 2.2250 0.0000 . 2 . . . . A 107 MET HB3 . 36261 1 1216 . 1 . 1 110 110 MET HG3 H 1 2.6140 0.0000 . 2 . . . . A 107 MET HG3 . 36261 1 1217 . 1 . 1 110 110 MET C C 13 176.4740 0.0000 . 1 . . . . A 107 MET C . 36261 1 1218 . 1 . 1 110 110 MET CA C 13 58.9470 0.0000 . 1 . . . . A 107 MET CA . 36261 1 1219 . 1 . 1 110 110 MET CB C 13 32.3420 0.0000 . 1 . . . . A 107 MET CB . 36261 1 1220 . 1 . 1 110 110 MET CG C 13 31.6220 0.0000 . 1 . . . . A 107 MET CG . 36261 1 1221 . 1 . 1 110 110 MET N N 15 121.4200 0.0000 . 1 . . . . A 107 MET N . 36261 1 1222 . 1 . 1 111 111 LYS H H 1 8.3230 0.0000 . 1 . . . . A 108 LYS H . 36261 1 1223 . 1 . 1 111 111 LYS HA H 1 3.8020 0.0000 . 1 . . . . A 108 LYS HA . 36261 1 1224 . 1 . 1 111 111 LYS HB2 H 1 1.3790 0.0000 . 2 . . . . A 108 LYS HB2 . 36261 1 1225 . 1 . 1 111 111 LYS HB3 H 1 1.4880 0.0000 . 2 . . . . A 108 LYS HB3 . 36261 1 1226 . 1 . 1 111 111 LYS HG3 H 1 0.7730 0.0000 . 2 . . . . A 108 LYS HG3 . 36261 1 1227 . 1 . 1 111 111 LYS HE3 H 1 2.9520 0.0000 . 2 . . . . A 108 LYS HE3 . 36261 1 1228 . 1 . 1 111 111 LYS C C 13 179.0510 0.0000 . 1 . . . . A 108 LYS C . 36261 1 1229 . 1 . 1 111 111 LYS CA C 13 59.6660 0.0000 . 1 . . . . A 108 LYS CA . 36261 1 1230 . 1 . 1 111 111 LYS CB C 13 30.1840 0.0000 . 1 . . . . A 108 LYS CB . 36261 1 1231 . 1 . 1 111 111 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 108 LYS CG . 36261 1 1232 . 1 . 1 111 111 LYS CE C 13 40.9700 0.0000 . 1 . . . . A 108 LYS CE . 36261 1 1233 . 1 . 1 111 111 LYS N N 15 122.9610 0.0000 . 1 . . . . A 108 LYS N . 36261 1 1234 . 1 . 1 112 112 LYS H H 1 7.9810 0.0000 . 1 . . . . A 109 LYS H . 36261 1 1235 . 1 . 1 112 112 LYS HA H 1 4.0440 0.0000 . 1 . . . . A 109 LYS HA . 36261 1 1236 . 1 . 1 112 112 LYS HB3 H 1 1.8930 0.0000 . 2 . . . . A 109 LYS HB3 . 36261 1 1237 . 1 . 1 112 112 LYS HG2 H 1 1.4110 0.0000 . 2 . . . . A 109 LYS HG2 . 36261 1 1238 . 1 . 1 112 112 LYS HG3 H 1 1.6110 0.0000 . 2 . . . . A 109 LYS HG3 . 36261 1 1239 . 1 . 1 112 112 LYS HE3 H 1 2.9240 0.0000 . 2 . . . . A 109 LYS HE3 . 36261 1 1240 . 1 . 1 112 112 LYS C C 13 178.4480 0.0000 . 1 . . . . A 109 LYS C . 36261 1 1241 . 1 . 1 112 112 LYS CA C 13 58.9470 0.0000 . 1 . . . . A 109 LYS CA . 36261 1 1242 . 1 . 1 112 112 LYS CB C 13 32.3420 0.0000 . 1 . . . . A 109 LYS CB . 36261 1 1243 . 1 . 1 112 112 LYS CG C 13 25.1500 0.0000 . 1 . . . . A 109 LYS CG . 36261 1 1244 . 1 . 1 112 112 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 109 LYS CE . 36261 1 1245 . 1 . 1 112 112 LYS N N 15 120.0690 0.0000 . 1 . . . . A 109 LYS N . 36261 1 1246 . 1 . 1 113 113 ARG H H 1 8.0420 0.0000 . 1 . . . . A 110 ARG H . 36261 1 1247 . 1 . 1 113 113 ARG HA H 1 4.1420 0.0000 . 1 . . . . A 110 ARG HA . 36261 1 1248 . 1 . 1 113 113 ARG HB2 H 1 1.9930 0.0000 . 1 . . . . A 110 ARG HB2 . 36261 1 1249 . 1 . 1 113 113 ARG HB3 H 1 2.0660 0.0000 . 1 . . . . A 110 ARG HB3 . 36261 1 1250 . 1 . 1 113 113 ARG HG2 H 1 1.5780 0.0000 . 2 . . . . A 110 ARG HG2 . 36261 1 1251 . 1 . 1 113 113 ARG HG3 H 1 1.7870 0.0000 . 2 . . . . A 110 ARG HG3 . 36261 1 1252 . 1 . 1 113 113 ARG HD2 H 1 3.2430 0.0000 . 2 . . . . A 110 ARG HD2 . 36261 1 1253 . 1 . 1 113 113 ARG HD3 H 1 3.2820 0.0000 . 2 . . . . A 110 ARG HD3 . 36261 1 1254 . 1 . 1 113 113 ARG C C 13 179.3380 0.0000 . 1 . . . . A 110 ARG C . 36261 1 1255 . 1 . 1 113 113 ARG CA C 13 59.6660 0.0000 . 1 . . . . A 110 ARG CA . 36261 1 1256 . 1 . 1 113 113 ARG CB C 13 30.1840 0.0000 . 1 . . . . A 110 ARG CB . 36261 1 1257 . 1 . 1 113 113 ARG CG C 13 27.3080 0.0000 . 1 . . . . A 110 ARG CG . 36261 1 1258 . 1 . 1 113 113 ARG CD C 13 43.8460 0.0000 . 1 . . . . A 110 ARG CD . 36261 1 1259 . 1 . 1 113 113 ARG N N 15 122.1590 0.0000 . 1 . . . . A 110 ARG N . 36261 1 1260 . 1 . 1 114 114 LEU H H 1 8.6750 0.0000 . 1 . . . . A 111 LEU H . 36261 1 1261 . 1 . 1 114 114 LEU HA H 1 4.0750 0.0000 . 1 . . . . A 111 LEU HA . 36261 1 1262 . 1 . 1 114 114 LEU HB2 H 1 1.5980 0.0000 . 1 . . . . A 111 LEU HB2 . 36261 1 1263 . 1 . 1 114 114 LEU HB3 H 1 1.9520 0.0000 . 1 . . . . A 111 LEU HB3 . 36261 1 1264 . 1 . 1 114 114 LEU HG H 1 1.9370 0.0000 . 1 . . . . A 111 LEU HG . 36261 1 1265 . 1 . 1 114 114 LEU HD11 H 1 1.0650 0.0000 . 1 . . . . A 111 LEU HD11 . 36261 1 1266 . 1 . 1 114 114 LEU HD12 H 1 1.0650 0.0000 . 1 . . . . A 111 LEU HD12 . 36261 1 1267 . 1 . 1 114 114 LEU HD13 H 1 1.0650 0.0000 . 1 . . . . A 111 LEU HD13 . 36261 1 1268 . 1 . 1 114 114 LEU HD21 H 1 1.0200 0.0000 . 1 . . . . A 111 LEU HD21 . 36261 1 1269 . 1 . 1 114 114 LEU HD22 H 1 1.0200 0.0000 . 1 . . . . A 111 LEU HD22 . 36261 1 1270 . 1 . 1 114 114 LEU HD23 H 1 1.0200 0.0000 . 1 . . . . A 111 LEU HD23 . 36261 1 1271 . 1 . 1 114 114 LEU C C 13 179.6280 0.0000 . 1 . . . . A 111 LEU C . 36261 1 1272 . 1 . 1 114 114 LEU CA C 13 57.5090 0.0000 . 1 . . . . A 111 LEU CA . 36261 1 1273 . 1 . 1 114 114 LEU CB C 13 41.6890 0.0000 . 1 . . . . A 111 LEU CB . 36261 1 1274 . 1 . 1 114 114 LEU CG C 13 26.5890 0.0000 . 1 . . . . A 111 LEU CG . 36261 1 1275 . 1 . 1 114 114 LEU CD1 C 13 25.8700 0.0000 . 1 . . . . A 111 LEU CD1 . 36261 1 1276 . 1 . 1 114 114 LEU CD2 C 13 22.2740 0.0000 . 1 . . . . A 111 LEU CD2 . 36261 1 1277 . 1 . 1 114 114 LEU N N 15 120.5390 0.0000 . 1 . . . . A 111 LEU N . 36261 1 1278 . 1 . 1 115 115 ALA H H 1 7.7560 0.0000 . 1 . . . . A 112 ALA H . 36261 1 1279 . 1 . 1 115 115 ALA HA H 1 4.1790 0.0000 . 1 . . . . A 112 ALA HA . 36261 1 1280 . 1 . 1 115 115 ALA HB1 H 1 1.5120 0.0000 . 1 . . . . A 112 ALA HB1 . 36261 1 1281 . 1 . 1 115 115 ALA HB2 H 1 1.5120 0.0000 . 1 . . . . A 112 ALA HB2 . 36261 1 1282 . 1 . 1 115 115 ALA HB3 H 1 1.5120 0.0000 . 1 . . . . A 112 ALA HB3 . 36261 1 1283 . 1 . 1 115 115 ALA C C 13 179.6070 0.0000 . 1 . . . . A 112 ALA C . 36261 1 1284 . 1 . 1 115 115 ALA CA C 13 54.6320 0.0000 . 1 . . . . A 112 ALA CA . 36261 1 1285 . 1 . 1 115 115 ALA CB C 13 17.9600 0.0000 . 1 . . . . A 112 ALA CB . 36261 1 1286 . 1 . 1 115 115 ALA N N 15 121.4200 0.0000 . 1 . . . . A 112 ALA N . 36261 1 1287 . 1 . 1 116 116 ASN H H 1 8.0650 0.0000 . 1 . . . . A 113 ASN H . 36261 1 1288 . 1 . 1 116 116 ASN HA H 1 4.5890 0.0000 . 1 . . . . A 113 ASN HA . 36261 1 1289 . 1 . 1 116 116 ASN HB3 H 1 2.9460 0.0000 . 2 . . . . A 113 ASN HB3 . 36261 1 1290 . 1 . 1 116 116 ASN HD21 H 1 7.6790 0.0000 . 2 . . . . A 113 ASN HD21 . 36261 1 1291 . 1 . 1 116 116 ASN HD22 H 1 6.9250 0.0000 . 2 . . . . A 113 ASN HD22 . 36261 1 1292 . 1 . 1 116 116 ASN C C 13 177.1960 0.0000 . 1 . . . . A 113 ASN C . 36261 1 1293 . 1 . 1 116 116 ASN CA C 13 55.3510 0.0000 . 1 . . . . A 113 ASN CA . 36261 1 1294 . 1 . 1 116 116 ASN CB C 13 38.0940 0.0000 . 1 . . . . A 113 ASN CB . 36261 1 1295 . 1 . 1 116 116 ASN N N 15 118.6370 0.0000 . 1 . . . . A 113 ASN N . 36261 1 1296 . 1 . 1 116 116 ASN ND2 N 15 113.7480 0.0000 . 1 . . . . A 113 ASN ND2 . 36261 1 1297 . 1 . 1 117 117 GLU H H 1 8.3200 0.0000 . 1 . . . . A 114 GLU H . 36261 1 1298 . 1 . 1 117 117 GLU HA H 1 4.1530 0.0000 . 1 . . . . A 114 GLU HA . 36261 1 1299 . 1 . 1 117 117 GLU HB3 H 1 2.0860 0.0000 . 2 . . . . A 114 GLU HB3 . 36261 1 1300 . 1 . 1 117 117 GLU HG3 H 1 2.5250 0.0000 . 2 . . . . A 114 GLU HG3 . 36261 1 1301 . 1 . 1 117 117 GLU C C 13 177.8580 0.0000 . 1 . . . . A 114 GLU C . 36261 1 1302 . 1 . 1 117 117 GLU CA C 13 58.2280 0.0000 . 1 . . . . A 114 GLU CA . 36261 1 1303 . 1 . 1 117 117 GLU CB C 13 30.1840 0.0000 . 1 . . . . A 114 GLU CB . 36261 1 1304 . 1 . 1 117 117 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 114 GLU CG . 36261 1 1305 . 1 . 1 117 117 GLU N N 15 121.2700 0.0000 . 1 . . . . A 114 GLU N . 36261 1 1306 . 1 . 1 118 118 ALA H H 1 7.8550 0.0000 . 1 . . . . A 115 ALA H . 36261 1 1307 . 1 . 1 118 118 ALA HA H 1 4.3370 0.0000 . 1 . . . . A 115 ALA HA . 36261 1 1308 . 1 . 1 118 118 ALA HB1 H 1 1.5330 0.0000 . 1 . . . . A 115 ALA HB1 . 36261 1 1309 . 1 . 1 118 118 ALA HB2 H 1 1.5330 0.0000 . 1 . . . . A 115 ALA HB2 . 36261 1 1310 . 1 . 1 118 118 ALA HB3 H 1 1.5330 0.0000 . 1 . . . . A 115 ALA HB3 . 36261 1 1311 . 1 . 1 118 118 ALA C C 13 178.4720 0.0000 . 1 . . . . A 115 ALA C . 36261 1 1312 . 1 . 1 118 118 ALA CA C 13 53.1940 0.0000 . 1 . . . . A 115 ALA CA . 36261 1 1313 . 1 . 1 118 118 ALA CB C 13 18.6790 0.0000 . 1 . . . . A 115 ALA CB . 36261 1 1314 . 1 . 1 118 118 ALA N N 15 123.3420 0.0000 . 1 . . . . A 115 ALA N . 36261 1 1315 . 1 . 1 119 119 LYS H H 1 7.8440 0.0000 . 1 . . . . A 116 LYS H . 36261 1 1316 . 1 . 1 119 119 LYS HA H 1 4.2480 0.0000 . 1 . . . . A 116 LYS HA . 36261 1 1317 . 1 . 1 119 119 LYS HB3 H 1 1.9220 0.0000 . 2 . . . . A 116 LYS HB3 . 36261 1 1318 . 1 . 1 119 119 LYS HG3 H 1 1.5590 0.0000 . 2 . . . . A 116 LYS HG3 . 36261 1 1319 . 1 . 1 119 119 LYS HD3 H 1 1.7380 0.0000 . 2 . . . . A 116 LYS HD3 . 36261 1 1320 . 1 . 1 119 119 LYS HE3 H 1 3.0250 0.0000 . 2 . . . . A 116 LYS HE3 . 36261 1 1321 . 1 . 1 119 119 LYS C C 13 177.3130 0.0000 . 1 . . . . A 116 LYS C . 36261 1 1322 . 1 . 1 119 119 LYS CA C 13 56.7900 0.0000 . 1 . . . . A 116 LYS CA . 36261 1 1323 . 1 . 1 119 119 LYS CB C 13 33.0610 0.0000 . 1 . . . . A 116 LYS CB . 36261 1 1324 . 1 . 1 119 119 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 116 LYS CG . 36261 1 1325 . 1 . 1 119 119 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 116 LYS CD . 36261 1 1326 . 1 . 1 119 119 LYS CE C 13 41.6890 0.0000 . 1 . . . . A 116 LYS CE . 36261 1 1327 . 1 . 1 119 119 LYS N N 15 120.0270 0.0000 . 1 . . . . A 116 LYS N . 36261 1 1328 . 1 . 1 120 120 GLU H H 1 8.0860 0.0000 . 1 . . . . A 117 GLU H . 36261 1 1329 . 1 . 1 120 120 GLU HA H 1 4.2550 0.0000 . 1 . . . . A 117 GLU HA . 36261 1 1330 . 1 . 1 120 120 GLU HB2 H 1 2.0040 0.0000 . 2 . . . . A 117 GLU HB2 . 36261 1 1331 . 1 . 1 120 120 GLU HB3 H 1 2.0720 0.0000 . 2 . . . . A 117 GLU HB3 . 36261 1 1332 . 1 . 1 120 120 GLU HG3 H 1 2.3350 0.0000 . 2 . . . . A 117 GLU HG3 . 36261 1 1333 . 1 . 1 120 120 GLU C C 13 176.3140 0.0000 . 1 . . . . A 117 GLU C . 36261 1 1334 . 1 . 1 120 120 GLU CA C 13 56.7900 0.0000 . 1 . . . . A 117 GLU CA . 36261 1 1335 . 1 . 1 120 120 GLU CB C 13 29.4650 0.0000 . 1 . . . . A 117 GLU CB . 36261 1 1336 . 1 . 1 120 120 GLU CG C 13 36.6560 0.0000 . 1 . . . . A 117 GLU CG . 36261 1 1337 . 1 . 1 120 120 GLU N N 15 121.2780 0.0000 . 1 . . . . A 117 GLU N . 36261 1 1338 . 1 . 1 121 121 ALA H H 1 8.0810 0.0000 . 1 . . . . A 118 ALA H . 36261 1 1339 . 1 . 1 121 121 ALA HA H 1 4.3230 0.0000 . 1 . . . . A 118 ALA HA . 36261 1 1340 . 1 . 1 121 121 ALA HB1 H 1 1.4320 0.0000 . 1 . . . . A 118 ALA HB1 . 36261 1 1341 . 1 . 1 121 121 ALA HB2 H 1 1.4320 0.0000 . 1 . . . . A 118 ALA HB2 . 36261 1 1342 . 1 . 1 121 121 ALA HB3 H 1 1.4320 0.0000 . 1 . . . . A 118 ALA HB3 . 36261 1 1343 . 1 . 1 121 121 ALA C C 13 177.5030 0.0000 . 1 . . . . A 118 ALA C . 36261 1 1344 . 1 . 1 121 121 ALA CA C 13 52.4750 0.0000 . 1 . . . . A 118 ALA CA . 36261 1 1345 . 1 . 1 121 121 ALA CB C 13 18.6790 0.0000 . 1 . . . . A 118 ALA CB . 36261 1 1346 . 1 . 1 121 121 ALA N N 15 125.5090 0.0000 . 1 . . . . A 118 ALA N . 36261 1 1347 . 1 . 1 122 122 LYS H H 1 8.1660 0.0000 . 1 . . . . A 119 LYS H . 36261 1 1348 . 1 . 1 122 122 LYS HA H 1 4.3170 0.0000 . 1 . . . . A 119 LYS HA . 36261 1 1349 . 1 . 1 122 122 LYS HB2 H 1 1.7980 0.0000 . 2 . . . . A 119 LYS HB2 . 36261 1 1350 . 1 . 1 122 122 LYS HB3 H 1 1.8790 0.0000 . 2 . . . . A 119 LYS HB3 . 36261 1 1351 . 1 . 1 122 122 LYS HG3 H 1 1.4710 0.0000 . 2 . . . . A 119 LYS HG3 . 36261 1 1352 . 1 . 1 122 122 LYS HD3 H 1 1.7030 0.0000 . 2 . . . . A 119 LYS HD3 . 36261 1 1353 . 1 . 1 122 122 LYS HE3 H 1 3.0050 0.0000 . 2 . . . . A 119 LYS HE3 . 36261 1 1354 . 1 . 1 122 122 LYS C C 13 175.6570 0.0000 . 1 . . . . A 119 LYS C . 36261 1 1355 . 1 . 1 122 122 LYS CA C 13 56.7900 0.0000 . 1 . . . . A 119 LYS CA . 36261 1 1356 . 1 . 1 122 122 LYS CB C 13 32.3410 0.0000 . 1 . . . . A 119 LYS CB . 36261 1 1357 . 1 . 1 122 122 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 119 LYS CG . 36261 1 1358 . 1 . 1 122 122 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 119 LYS CD . 36261 1 1359 . 1 . 1 122 122 LYS CE C 13 41.9840 0.0000 . 1 . . . . A 119 LYS CE . 36261 1 1360 . 1 . 1 122 122 LYS N N 15 122.2970 0.0000 . 1 . . . . A 119 LYS N . 36261 1 1361 . 1 . 1 123 123 LYS H H 1 7.9790 0.0000 . 1 . . . . A 120 LYS H . 36261 1 1362 . 1 . 1 123 123 LYS HA H 1 4.1780 0.0000 . 1 . . . . A 120 LYS HA . 36261 1 1363 . 1 . 1 123 123 LYS HB2 H 1 1.7120 0.0000 . 2 . . . . A 120 LYS HB2 . 36261 1 1364 . 1 . 1 123 123 LYS HB3 H 1 1.8300 0.0000 . 2 . . . . A 120 LYS HB3 . 36261 1 1365 . 1 . 1 123 123 LYS HG3 H 1 1.4070 0.0000 . 2 . . . . A 120 LYS HG3 . 36261 1 1366 . 1 . 1 123 123 LYS HD3 H 1 1.6620 0.0000 . 2 . . . . A 120 LYS HD3 . 36261 1 1367 . 1 . 1 123 123 LYS HE3 H 1 2.9760 0.0000 . 2 . . . . A 120 LYS HE3 . 36261 1 1368 . 1 . 1 123 123 LYS C C 13 181.3610 0.0000 . 1 . . . . A 120 LYS C . 36261 1 1369 . 1 . 1 123 123 LYS CA C 13 57.5090 0.0000 . 1 . . . . A 120 LYS CA . 36261 1 1370 . 1 . 1 123 123 LYS CB C 13 33.7800 0.0000 . 1 . . . . A 120 LYS CB . 36261 1 1371 . 1 . 1 123 123 LYS CG C 13 24.4310 0.0000 . 1 . . . . A 120 LYS CG . 36261 1 1372 . 1 . 1 123 123 LYS CD C 13 28.7460 0.0000 . 1 . . . . A 120 LYS CD . 36261 1 1373 . 1 . 1 123 123 LYS CE C 13 41.9840 0.0000 . 1 . . . . A 120 LYS CE . 36261 1 1374 . 1 . 1 123 123 LYS N N 15 129.5900 0.0000 . 1 . . . . A 120 LYS N . 36261 1 stop_ save_