data_36485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36485 _Entry.Title ; Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-20 _Entry.Accession_date 2023-03-08 _Entry.Last_release_date 2023-03-08 _Entry.Original_release_date 2023-03-08 _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 NMR' _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_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 J. Shin J. . . . 36485 2 G. Grueber G. . . . 36485 3 A. Harikishore A. . . . 36485 4 C. Wong C. F. . . 36485 5 R. Prya R. . . . 36485 6 T. Dick T. . . . 36485 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ELECTRON TRANSPORT' . 36485 'F-ATP synthase' . 36485 Mycobacteria . 36485 bioenergetics . 36485 'oxidative phosphorylation' . 36485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 36485 '15N chemical shifts' 105 36485 '1H chemical shifts' 756 36485 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 . . 2025-10-26 . original BMRB . 36485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36403 'Solution structure of TGS domain of the Mycobacterium tuberculosis Rel protein' 36485 PDB 7XKZ 'BMRB Entry Tracking System' 36485 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36485 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35612822 _Citation.DOI 10.1111/febs.16536 _Citation.Full_citation . _Citation.Title ; Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit e and identification of Ep1MabF1 as a targeted inhibitor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 289 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-464X _Citation.Journal_CSD 0353 _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 6308 _Citation.Page_last 6323 _Citation.Year 2022 _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 Joon Shin J. . . . 36485 1 2 Amaravadhi Harikishore A. . . . 36485 1 3 'Chui Fann' Wong C. F. . . 36485 1 4 Priya Ragunathan P. . . . 36485 1 5 Thomas Dick T. . . . 36485 1 6 Gerhard Gruber G. . . . 36485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36485 _Assembly.ID 1 _Assembly.Name 'ATP synthase epsilon chain' _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 'not present' _Assembly.Molecular_mass 13903.489 _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 . . . . 'ATP synthase F1 sector epsilon subunit,F-ATPase epsilon subunit' . 36485 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 MET 1 . A -5 MET . start . . 36485 1 . 1 1 10 ILE 10 . A 4 ILE . middle . . 36485 1 . 1 1 100 LYS 100 . A 94 LYS . middle . . 36485 1 . 1 1 101 ALA 101 . A 95 ALA . middle . . 36485 1 . 1 1 102 LYS 102 . A 96 LYS . middle . . 36485 1 . 1 1 103 THR 103 . A 97 THR . middle . . 36485 1 . 1 1 104 ASP 104 . A 98 ASP . middle . . 36485 1 . 1 1 105 SER 105 . A 99 SER . middle . . 36485 1 . 1 1 106 GLY 106 . A 100 GLY . middle no . 36485 1 . 1 1 107 SER 107 . A 101 SER . middle . . 36485 1 . 1 1 108 GLU 108 . A 102 GLU . middle . . 36485 1 . 1 1 109 ASP 109 . A 103 ASP . middle . . 36485 1 . 1 1 11 ASP 11 . A 5 ASP . middle . . 36485 1 . 1 1 110 PRO 110 . A 104 PRO . middle no . 36485 1 . 1 1 111 ARG 111 . A 105 ARG . middle . . 36485 1 . 1 1 112 VAL 112 . A 106 VAL . middle . . 36485 1 . 1 1 113 ALA 113 . A 107 ALA . middle . . 36485 1 . 1 1 114 ALA 114 . A 108 ALA . middle . . 36485 1 . 1 1 115 GLN 115 . A 109 GLN . middle . . 36485 1 . 1 1 116 GLY 116 . A 110 GLY . middle no . 36485 1 . 1 1 117 ARG 117 . A 111 ARG . middle . . 36485 1 . 1 1 118 ALA 118 . A 112 ALA . middle . . 36485 1 . 1 1 119 ARG 119 . A 113 ARG . middle . . 36485 1 . 1 1 12 VAL 12 . A 6 VAL . middle . . 36485 1 . 1 1 120 LEU 120 . A 114 LEU . middle . . 36485 1 . 1 1 121 ARG 121 . A 115 ARG . middle . . 36485 1 . 1 1 122 ALA 122 . A 116 ALA . middle . . 36485 1 . 1 1 123 LEU 123 . A 117 LEU . middle . . 36485 1 . 1 1 124 GLY 124 . A 118 GLY . middle no . 36485 1 . 1 1 125 GLN 125 . A 119 GLN . middle . . 36485 1 . 1 1 126 THR 126 . A 120 THR . middle . . 36485 1 . 1 1 127 VAL 127 . A 121 VAL . end . . 36485 1 . 1 1 13 GLU 13 . A 7 GLU . middle . . 36485 1 . 1 1 14 ILE 14 . A 8 ILE . middle . . 36485 1 . 1 1 15 VAL 15 . A 9 VAL . middle . . 36485 1 . 1 1 16 ALA 16 . A 10 ALA . middle . . 36485 1 . 1 1 17 VAL 17 . A 11 VAL . middle . . 36485 1 . 1 1 18 GLU 18 . A 12 GLU . middle . . 36485 1 . 1 1 19 ARG 19 . A 13 ARG . middle . . 36485 1 . 1 1 2 HIS 2 . A -4 HIS . middle . . 36485 1 . 1 1 20 GLU 20 . A 14 GLU . middle . . 36485 1 . 1 1 21 ILE 21 . A 15 ILE . middle . . 36485 1 . 1 1 22 TRP 22 . A 16 TRP . middle . . 36485 1 . 1 1 23 SER 23 . A 17 SER . middle . . 36485 1 . 1 1 24 GLY 24 . A 18 GLY . middle no . 36485 1 . 1 1 25 LYS 25 . A 19 LYS . middle . . 36485 1 . 1 1 26 ALA 26 . A 20 ALA . middle . . 36485 1 . 1 1 27 THR 27 . A 21 THR . middle . . 36485 1 . 1 1 28 PHE 28 . A 22 PHE . middle . . 36485 1 . 1 1 29 VAL 29 . A 23 VAL . middle . . 36485 1 . 1 1 3 HIS 3 . A -3 HIS . middle . . 36485 1 . 1 1 30 PHE 30 . A 24 PHE . middle . . 36485 1 . 1 1 31 THR 31 . A 25 THR . middle . . 36485 1 . 1 1 32 ARG 32 . A 26 ARG . middle . . 36485 1 . 1 1 33 THR 33 . A 27 THR . middle . . 36485 1 . 1 1 34 THR 34 . A 28 THR . middle . . 36485 1 . 1 1 35 SER 35 . A 29 SER . middle . . 36485 1 . 1 1 36 GLY 36 . A 30 GLY . middle no . 36485 1 . 1 1 37 GLU 37 . A 31 GLU . middle . . 36485 1 . 1 1 38 ILE 38 . A 32 ILE . middle . . 36485 1 . 1 1 39 GLY 39 . A 33 GLY . middle no . 36485 1 . 1 1 4 HIS 4 . A -2 HIS . middle . . 36485 1 . 1 1 40 ILE 40 . A 34 ILE . middle . . 36485 1 . 1 1 41 LEU 41 . A 35 LEU . middle . . 36485 1 . 1 1 42 PRO 42 . A 36 PRO . middle no . 36485 1 . 1 1 43 HIS 43 . A 37 HIS . middle . . 36485 1 . 1 1 44 HIS 44 . A 38 HIS . middle . . 36485 1 . 1 1 45 ILE 45 . A 39 ILE . middle . . 36485 1 . 1 1 46 PRO 46 . A 40 PRO . middle no . 36485 1 . 1 1 47 LEU 47 . A 41 LEU . middle . . 36485 1 . 1 1 48 VAL 48 . A 42 VAL . middle . . 36485 1 . 1 1 49 ALA 49 . A 43 ALA . middle . . 36485 1 . 1 1 5 HIS 5 . A -1 HIS . middle . . 36485 1 . 1 1 50 GLN 50 . A 44 GLN . middle . . 36485 1 . 1 1 51 LEU 51 . A 45 LEU . middle . . 36485 1 . 1 1 52 VAL 52 . A 46 VAL . middle . . 36485 1 . 1 1 53 ASP 53 . A 47 ASP . middle . . 36485 1 . 1 1 54 ASP 54 . A 48 ASP . middle . . 36485 1 . 1 1 55 ALA 55 . A 49 ALA . middle . . 36485 1 . 1 1 56 ALA 56 . A 50 ALA . middle . . 36485 1 . 1 1 57 VAL 57 . A 51 VAL . middle . . 36485 1 . 1 1 58 LYS 58 . A 52 LYS . middle . . 36485 1 . 1 1 59 ILE 59 . A 53 ILE . middle . . 36485 1 . 1 1 6 HIS 6 . A 0 HIS . middle . . 36485 1 . 1 1 60 GLU 60 . A 54 GLU . middle . . 36485 1 . 1 1 61 ARG 61 . A 55 ARG . middle . . 36485 1 . 1 1 62 GLU 62 . A 56 GLU . middle . . 36485 1 . 1 1 63 GLY 63 . A 57 GLY . middle no . 36485 1 . 1 1 64 SER 64 . A 58 SER . middle . . 36485 1 . 1 1 65 ASP 65 . A 59 ASP . middle . . 36485 1 . 1 1 66 ASP 66 . A 60 ASP . middle . . 36485 1 . 1 1 67 LEU 67 . A 61 LEU . middle . . 36485 1 . 1 1 68 TRP 68 . A 62 TRP . middle . . 36485 1 . 1 1 69 TRP 69 . A 63 TRP . middle . . 36485 1 . 1 1 7 HIS 7 . A 1 HIS . middle . . 36485 1 . 1 1 70 ALA 70 . A 64 ALA . middle . . 36485 1 . 1 1 71 ILE 71 . A 65 ILE . middle . . 36485 1 . 1 1 72 ASP 72 . A 66 ASP . middle . . 36485 1 . 1 1 73 GLY 73 . A 67 GLY . middle no . 36485 1 . 1 1 74 GLY 74 . A 68 GLY . middle no . 36485 1 . 1 1 75 PHE 75 . A 69 PHE . middle . . 36485 1 . 1 1 76 LEU 76 . A 70 LEU . middle . . 36485 1 . 1 1 77 SER 77 . A 71 SER . middle . . 36485 1 . 1 1 78 ILE 78 . A 72 ILE . middle . . 36485 1 . 1 1 79 THR 79 . A 73 THR . middle . . 36485 1 . 1 1 8 SER 8 . A 2 SER . middle . . 36485 1 . 1 1 80 ASP 80 . A 74 ASP . middle . . 36485 1 . 1 1 81 THR 81 . A 75 THR . middle . . 36485 1 . 1 1 82 LYS 82 . A 76 LYS . middle . . 36485 1 . 1 1 83 VAL 83 . A 77 VAL . middle . . 36485 1 . 1 1 84 SER 84 . A 78 SER . middle . . 36485 1 . 1 1 85 ILE 85 . A 79 ILE . middle . . 36485 1 . 1 1 86 LEU 86 . A 80 LEU . middle . . 36485 1 . 1 1 87 ALA 87 . A 81 ALA . middle . . 36485 1 . 1 1 88 GLU 88 . A 82 GLU . middle . . 36485 1 . 1 1 89 SER 89 . A 83 SER . middle . . 36485 1 . 1 1 9 GLU 9 . A 3 GLU . middle . . 36485 1 . 1 1 90 ALA 90 . A 84 ALA . middle . . 36485 1 . 1 1 91 GLN 91 . A 85 GLN . middle . . 36485 1 . 1 1 92 ALA 92 . A 86 ALA . middle . . 36485 1 . 1 1 93 ARG 93 . A 87 ARG . middle . . 36485 1 . 1 1 94 ALA 94 . A 88 ALA . middle . . 36485 1 . 1 1 95 ASP 95 . A 89 ASP . middle . . 36485 1 . 1 1 96 ILE 96 . A 90 ILE . middle . . 36485 1 . 1 1 97 ASP 97 . A 91 ASP . middle . . 36485 1 . 1 1 98 GLU 98 . A 92 GLU . middle . . 36485 1 . 1 1 99 ALA 99 . A 93 ALA . middle . . 36485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ATP synthase epsilon chain' _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 ; MHHHHHHSEIDVEIVAVERE IWSGKATFVFTRTTSGEIGI LPHHIPLVAQLVDDAAVKIE REGSDDLWWAIDGGFLSITD TKVSILAESAQARADIDEAK AKTDSGSEDPRVAAQGRARL RALGQTV ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13903.489 _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 'ATP synthase F1 sector epsilon subunit,F-ATPase epsilon subunit' common 36485 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 -5 MET . 36485 1 2 -4 HIS . 36485 1 3 -3 HIS . 36485 1 4 -2 HIS . 36485 1 5 -1 HIS . 36485 1 6 0 HIS . 36485 1 7 1 HIS . 36485 1 8 2 SER . 36485 1 9 3 GLU . 36485 1 10 4 ILE . 36485 1 11 5 ASP . 36485 1 12 6 VAL . 36485 1 13 7 GLU . 36485 1 14 8 ILE . 36485 1 15 9 VAL . 36485 1 16 10 ALA . 36485 1 17 11 VAL . 36485 1 18 12 GLU . 36485 1 19 13 ARG . 36485 1 20 14 GLU . 36485 1 21 15 ILE . 36485 1 22 16 TRP . 36485 1 23 17 SER . 36485 1 24 18 GLY . 36485 1 25 19 LYS . 36485 1 26 20 ALA . 36485 1 27 21 THR . 36485 1 28 22 PHE . 36485 1 29 23 VAL . 36485 1 30 24 PHE . 36485 1 31 25 THR . 36485 1 32 26 ARG . 36485 1 33 27 THR . 36485 1 34 28 THR . 36485 1 35 29 SER . 36485 1 36 30 GLY . 36485 1 37 31 GLU . 36485 1 38 32 ILE . 36485 1 39 33 GLY . 36485 1 40 34 ILE . 36485 1 41 35 LEU . 36485 1 42 36 PRO . 36485 1 43 37 HIS . 36485 1 44 38 HIS . 36485 1 45 39 ILE . 36485 1 46 40 PRO . 36485 1 47 41 LEU . 36485 1 48 42 VAL . 36485 1 49 43 ALA . 36485 1 50 44 GLN . 36485 1 51 45 LEU . 36485 1 52 46 VAL . 36485 1 53 47 ASP . 36485 1 54 48 ASP . 36485 1 55 49 ALA . 36485 1 56 50 ALA . 36485 1 57 51 VAL . 36485 1 58 52 LYS . 36485 1 59 53 ILE . 36485 1 60 54 GLU . 36485 1 61 55 ARG . 36485 1 62 56 GLU . 36485 1 63 57 GLY . 36485 1 64 58 SER . 36485 1 65 59 ASP . 36485 1 66 60 ASP . 36485 1 67 61 LEU . 36485 1 68 62 TRP . 36485 1 69 63 TRP . 36485 1 70 64 ALA . 36485 1 71 65 ILE . 36485 1 72 66 ASP . 36485 1 73 67 GLY . 36485 1 74 68 GLY . 36485 1 75 69 PHE . 36485 1 76 70 LEU . 36485 1 77 71 SER . 36485 1 78 72 ILE . 36485 1 79 73 THR . 36485 1 80 74 ASP . 36485 1 81 75 THR . 36485 1 82 76 LYS . 36485 1 83 77 VAL . 36485 1 84 78 SER . 36485 1 85 79 ILE . 36485 1 86 80 LEU . 36485 1 87 81 ALA . 36485 1 88 82 GLU . 36485 1 89 83 SER . 36485 1 90 84 ALA . 36485 1 91 85 GLN . 36485 1 92 86 ALA . 36485 1 93 87 ARG . 36485 1 94 88 ALA . 36485 1 95 89 ASP . 36485 1 96 90 ILE . 36485 1 97 91 ASP . 36485 1 98 92 GLU . 36485 1 99 93 ALA . 36485 1 100 94 LYS . 36485 1 101 95 ALA . 36485 1 102 96 LYS . 36485 1 103 97 THR . 36485 1 104 98 ASP . 36485 1 105 99 SER . 36485 1 106 100 GLY . 36485 1 107 101 SER . 36485 1 108 102 GLU . 36485 1 109 103 ASP . 36485 1 110 104 PRO . 36485 1 111 105 ARG . 36485 1 112 106 VAL . 36485 1 113 107 ALA . 36485 1 114 108 ALA . 36485 1 115 109 GLN . 36485 1 116 110 GLY . 36485 1 117 111 ARG . 36485 1 118 112 ALA . 36485 1 119 113 ARG . 36485 1 120 114 LEU . 36485 1 121 115 ARG . 36485 1 122 116 ALA . 36485 1 123 117 LEU . 36485 1 124 118 GLY . 36485 1 125 119 GLN . 36485 1 126 120 THR . 36485 1 127 121 VAL . 36485 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 . MET 1 1 36485 1 . HIS 2 2 36485 1 . HIS 3 3 36485 1 . HIS 4 4 36485 1 . HIS 5 5 36485 1 . HIS 6 6 36485 1 . HIS 7 7 36485 1 . SER 8 8 36485 1 . GLU 9 9 36485 1 . ILE 10 10 36485 1 . ASP 11 11 36485 1 . VAL 12 12 36485 1 . GLU 13 13 36485 1 . ILE 14 14 36485 1 . VAL 15 15 36485 1 . ALA 16 16 36485 1 . VAL 17 17 36485 1 . GLU 18 18 36485 1 . ARG 19 19 36485 1 . GLU 20 20 36485 1 . ILE 21 21 36485 1 . TRP 22 22 36485 1 . SER 23 23 36485 1 . GLY 24 24 36485 1 . LYS 25 25 36485 1 . ALA 26 26 36485 1 . THR 27 27 36485 1 . PHE 28 28 36485 1 . VAL 29 29 36485 1 . PHE 30 30 36485 1 . THR 31 31 36485 1 . ARG 32 32 36485 1 . THR 33 33 36485 1 . THR 34 34 36485 1 . SER 35 35 36485 1 . GLY 36 36 36485 1 . GLU 37 37 36485 1 . ILE 38 38 36485 1 . GLY 39 39 36485 1 . ILE 40 40 36485 1 . LEU 41 41 36485 1 . PRO 42 42 36485 1 . HIS 43 43 36485 1 . HIS 44 44 36485 1 . ILE 45 45 36485 1 . PRO 46 46 36485 1 . LEU 47 47 36485 1 . VAL 48 48 36485 1 . ALA 49 49 36485 1 . GLN 50 50 36485 1 . LEU 51 51 36485 1 . VAL 52 52 36485 1 . ASP 53 53 36485 1 . ASP 54 54 36485 1 . ALA 55 55 36485 1 . ALA 56 56 36485 1 . VAL 57 57 36485 1 . LYS 58 58 36485 1 . ILE 59 59 36485 1 . GLU 60 60 36485 1 . ARG 61 61 36485 1 . GLU 62 62 36485 1 . GLY 63 63 36485 1 . SER 64 64 36485 1 . ASP 65 65 36485 1 . ASP 66 66 36485 1 . LEU 67 67 36485 1 . TRP 68 68 36485 1 . TRP 69 69 36485 1 . ALA 70 70 36485 1 . ILE 71 71 36485 1 . ASP 72 72 36485 1 . GLY 73 73 36485 1 . GLY 74 74 36485 1 . PHE 75 75 36485 1 . LEU 76 76 36485 1 . SER 77 77 36485 1 . ILE 78 78 36485 1 . THR 79 79 36485 1 . ASP 80 80 36485 1 . THR 81 81 36485 1 . LYS 82 82 36485 1 . VAL 83 83 36485 1 . SER 84 84 36485 1 . ILE 85 85 36485 1 . LEU 86 86 36485 1 . ALA 87 87 36485 1 . GLU 88 88 36485 1 . SER 89 89 36485 1 . ALA 90 90 36485 1 . GLN 91 91 36485 1 . ALA 92 92 36485 1 . ARG 93 93 36485 1 . ALA 94 94 36485 1 . ASP 95 95 36485 1 . ILE 96 96 36485 1 . ASP 97 97 36485 1 . GLU 98 98 36485 1 . ALA 99 99 36485 1 . LYS 100 100 36485 1 . ALA 101 101 36485 1 . LYS 102 102 36485 1 . THR 103 103 36485 1 . ASP 104 104 36485 1 . SER 105 105 36485 1 . GLY 106 106 36485 1 . SER 107 107 36485 1 . GLU 108 108 36485 1 . ASP 109 109 36485 1 . PRO 110 110 36485 1 . ARG 111 111 36485 1 . VAL 112 112 36485 1 . ALA 113 113 36485 1 . ALA 114 114 36485 1 . GLN 115 115 36485 1 . GLY 116 116 36485 1 . ARG 117 117 36485 1 . ALA 118 118 36485 1 . ARG 119 119 36485 1 . LEU 120 120 36485 1 . ARG 121 121 36485 1 . ALA 122 122 36485 1 . LEU 123 123 36485 1 . GLY 124 124 36485 1 . GLN 125 125 36485 1 . THR 126 126 36485 1 . VAL 127 127 36485 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 36485 _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 . 36809 organism . 'Mycobacteroides abscessus' . . . Bacteria Bacillati Mycobacteroides abscessus . . . . . . . . . . . 'atpC, D2E76_04560, ERS075656_01892' . 36485 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 36485 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 36485 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N] Mycobacterium abscessus F-ATP synthase subunit epsilon, 50 mM TRIS, 150 mM sodium chloride, 0.01 % v/v sodium azide, 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 'Mycobacterium abscessus F-ATP synthase subunit epsilon' [U-15N] 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36485 1 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.01 . . '% v/v' . . . . 36485 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 36485 1 4 TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36485 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36485 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36485 1 stop_ save_ save_13C_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_sample _Sample.Entry_ID 36485 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 13C; U-100% 15N] Mycobacterium abscessus F-ATP synthase subunit epsilon, 50 mM TRIS, 150 mM sodium chloride, 0.01 % v/v sodium azide, 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 'Mycobacterium abscessus F-ATP synthase subunit epsilon' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36485 2 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.01 . . '% v/v' . . . . 36485 2 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 36485 2 4 TRIS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36485 2 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36485 2 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36485 2 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 36485 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details condition_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' 150 . mM 36485 1 pH 7.5 . pH 36485 1 pressure 1 . atm 36485 1 temperature 298 . K 36485 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36485 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36485 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36485 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36485 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _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' . . 36485 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36485 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36485 _Software.ID 3 _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' . . 36485 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36485 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36485 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36485 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36485 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36485 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36485 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36485 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36485 _Software.ID 6 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36485 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36485 6 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 36485 _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 700 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 36485 _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 . 700 . . . 36485 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 36485 _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 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 2 '3D HNCACB' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 4 '3D HNCA' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 5 '3D HN(CO)CA' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 6 '3D HNCO' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 7 '3D HCCH-TOCSY' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 8 '3D 1H-15N NOESY' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 9 '3D 1H-13C NOESY' . . . . . . . . . . . . . 2 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36485 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36485 _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 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 36485 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 36485 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 36485 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 36485 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $15N_sample isotropic 36485 1 2 '3D HNCACB' 2 $13C_15N_sample isotropic 36485 1 3 '3D CBCA(CO)NH' 2 $13C_15N_sample isotropic 36485 1 4 '3D HNCA' 2 $13C_15N_sample isotropic 36485 1 5 '3D HN(CO)CA' 2 $13C_15N_sample isotropic 36485 1 6 '3D HNCO' 2 $13C_15N_sample isotropic 36485 1 7 '3D HCCH-TOCSY' 2 $13C_15N_sample isotropic 36485 1 8 '3D 1H-15N NOESY' 2 $13C_15N_sample isotropic 36485 1 9 '3D 1H-13C NOESY' 2 $13C_15N_sample isotropic 36485 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 8 8 SER HA H 1 4.438 0.006 . 1 . . . . A 2 SER HA . 36485 1 2 . 1 . 1 8 8 SER HB2 H 1 3.749 0.010 . 2 . . . . A 2 SER HB2 . 36485 1 3 . 1 . 1 8 8 SER HB3 H 1 3.749 0.010 . 2 . . . . A 2 SER HB3 . 36485 1 4 . 1 . 1 8 8 SER C C 13 173.067 0.000 . 1 . . . . A 2 SER C . 36485 1 5 . 1 . 1 8 8 SER CA C 13 58.395 0.060 . 1 . . . . A 2 SER CA . 36485 1 6 . 1 . 1 8 8 SER CB C 13 63.917 0.070 . 1 . . . . A 2 SER CB . 36485 1 7 . 1 . 1 9 9 GLU H H 1 8.030 0.003 . 1 . . . . A 3 GLU H . 36485 1 8 . 1 . 1 9 9 GLU HA H 1 4.819 0.006 . 1 . . . . A 3 GLU HA . 36485 1 9 . 1 . 1 9 9 GLU HB2 H 1 1.844 0.005 . 2 . . . . A 3 GLU HB2 . 36485 1 10 . 1 . 1 9 9 GLU HB3 H 1 1.738 0.005 . 2 . . . . A 3 GLU HB3 . 36485 1 11 . 1 . 1 9 9 GLU HG2 H 1 2.022 0.005 . 2 . . . . A 3 GLU HG2 . 36485 1 12 . 1 . 1 9 9 GLU HG3 H 1 1.950 0.005 . 2 . . . . A 3 GLU HG3 . 36485 1 13 . 1 . 1 9 9 GLU C C 13 174.848 0.000 . 1 . . . . A 3 GLU C . 36485 1 14 . 1 . 1 9 9 GLU CA C 13 54.633 0.090 . 1 . . . . A 3 GLU CA . 36485 1 15 . 1 . 1 9 9 GLU CB C 13 34.187 0.020 . 1 . . . . A 3 GLU CB . 36485 1 16 . 1 . 1 9 9 GLU CG C 13 36.730 0.040 . 1 . . . . A 3 GLU CG . 36485 1 17 . 1 . 1 9 9 GLU N N 15 119.502 0.080 . 1 . . . . A 3 GLU N . 36485 1 18 . 1 . 1 10 10 ILE H H 1 9.264 0.005 . 1 . . . . A 4 ILE H . 36485 1 19 . 1 . 1 10 10 ILE HA H 1 4.320 0.004 . 1 . . . . A 4 ILE HA . 36485 1 20 . 1 . 1 10 10 ILE HB H 1 1.343 0.003 . 1 . . . . A 4 ILE HB . 36485 1 21 . 1 . 1 10 10 ILE HG12 H 1 1.338 0.005 . 2 . . . . A 4 ILE HG12 . 36485 1 22 . 1 . 1 10 10 ILE HG13 H 1 0.830 0.005 . 2 . . . . A 4 ILE HG13 . 36485 1 23 . 1 . 1 10 10 ILE HG21 H 1 0.610 0.005 . 1 . . . . A 4 ILE HG21 . 36485 1 24 . 1 . 1 10 10 ILE HG22 H 1 0.610 0.005 . 1 . . . . A 4 ILE HG22 . 36485 1 25 . 1 . 1 10 10 ILE HG23 H 1 0.610 0.005 . 1 . . . . A 4 ILE HG23 . 36485 1 26 . 1 . 1 10 10 ILE HD11 H 1 0.494 0.004 . 1 . . . . A 4 ILE HD11 . 36485 1 27 . 1 . 1 10 10 ILE HD12 H 1 0.494 0.004 . 1 . . . . A 4 ILE HD12 . 36485 1 28 . 1 . 1 10 10 ILE HD13 H 1 0.494 0.004 . 1 . . . . A 4 ILE HD13 . 36485 1 29 . 1 . 1 10 10 ILE CA C 13 59.440 0.050 . 1 . . . . A 4 ILE CA . 36485 1 30 . 1 . 1 10 10 ILE CB C 13 42.250 0.020 . 1 . . . . A 4 ILE CB . 36485 1 31 . 1 . 1 10 10 ILE CG1 C 13 28.102 0.010 . 1 . . . . A 4 ILE CG1 . 36485 1 32 . 1 . 1 10 10 ILE CG2 C 13 16.896 0.050 . 1 . . . . A 4 ILE CG2 . 36485 1 33 . 1 . 1 10 10 ILE CD1 C 13 14.402 0.100 . 1 . . . . A 4 ILE CD1 . 36485 1 34 . 1 . 1 10 10 ILE N N 15 120.249 0.080 . 1 . . . . A 4 ILE N . 36485 1 35 . 1 . 1 11 11 ASP HA H 1 4.743 0.005 . 1 . . . . A 5 ASP HA . 36485 1 36 . 1 . 1 11 11 ASP HB2 H 1 2.551 0.006 . 2 . . . . A 5 ASP HB2 . 36485 1 37 . 1 . 1 11 11 ASP HB3 H 1 2.551 0.006 . 2 . . . . A 5 ASP HB3 . 36485 1 38 . 1 . 1 11 11 ASP C C 13 174.265 0.000 . 1 . . . . A 5 ASP C . 36485 1 39 . 1 . 1 11 11 ASP CA C 13 55.137 0.040 . 1 . . . . A 5 ASP CA . 36485 1 40 . 1 . 1 11 11 ASP CB C 13 41.497 0.010 . 1 . . . . A 5 ASP CB . 36485 1 41 . 1 . 1 12 12 VAL H H 1 8.558 0.005 . 1 . . . . A 6 VAL H . 36485 1 42 . 1 . 1 12 12 VAL HA H 1 4.538 0.007 . 1 . . . . A 6 VAL HA . 36485 1 43 . 1 . 1 12 12 VAL HB H 1 1.573 0.005 . 1 . . . . A 6 VAL HB . 36485 1 44 . 1 . 1 12 12 VAL HG21 H 1 0.613 0.005 . 2 . . . . A 6 VAL HG21 . 36485 1 45 . 1 . 1 12 12 VAL HG22 H 1 0.613 0.005 . 2 . . . . A 6 VAL HG22 . 36485 1 46 . 1 . 1 12 12 VAL HG23 H 1 0.613 0.005 . 2 . . . . A 6 VAL HG23 . 36485 1 47 . 1 . 1 12 12 VAL CA C 13 59.941 0.040 . 1 . . . . A 6 VAL CA . 36485 1 48 . 1 . 1 12 12 VAL CB C 13 35.802 0.070 . 1 . . . . A 6 VAL CB . 36485 1 49 . 1 . 1 12 12 VAL CG2 C 13 22.038 0.100 . 2 . . . . A 6 VAL CG2 . 36485 1 50 . 1 . 1 12 12 VAL N N 15 122.555 0.060 . 1 . . . . A 6 VAL N . 36485 1 51 . 1 . 1 13 13 GLU HA H 1 5.051 0.006 . 1 . . . . A 7 GLU HA . 36485 1 52 . 1 . 1 13 13 GLU HB2 H 1 1.762 0.004 . 2 . . . . A 7 GLU HB2 . 36485 1 53 . 1 . 1 13 13 GLU HB3 H 1 1.624 0.005 . 2 . . . . A 7 GLU HB3 . 36485 1 54 . 1 . 1 13 13 GLU HG2 H 1 2.208 0.050 . 2 . . . . A 7 GLU HG2 . 36485 1 55 . 1 . 1 13 13 GLU HG3 H 1 2.034 0.005 . 2 . . . . A 7 GLU HG3 . 36485 1 56 . 1 . 1 13 13 GLU C C 13 173.281 0.000 . 1 . . . . A 7 GLU C . 36485 1 57 . 1 . 1 13 13 GLU CA C 13 53.788 0.030 . 1 . . . . A 7 GLU CA . 36485 1 58 . 1 . 1 13 13 GLU CB C 13 32.345 0.040 . 1 . . . . A 7 GLU CB . 36485 1 59 . 1 . 1 13 13 GLU CG C 13 34.844 0.060 . 1 . . . . A 7 GLU CG . 36485 1 60 . 1 . 1 14 14 ILE H H 1 8.966 0.005 . 1 . . . . A 8 ILE H . 36485 1 61 . 1 . 1 14 14 ILE HA H 1 4.793 0.006 . 1 . . . . A 8 ILE HA . 36485 1 62 . 1 . 1 14 14 ILE HB H 1 1.115 0.005 . 1 . . . . A 8 ILE HB . 36485 1 63 . 1 . 1 14 14 ILE HG12 H 1 1.095 0.005 . 2 . . . . A 8 ILE HG12 . 36485 1 64 . 1 . 1 14 14 ILE HG13 H 1 0.384 0.005 . 2 . . . . A 8 ILE HG13 . 36485 1 65 . 1 . 1 14 14 ILE HG21 H 1 0.144 0.005 . 1 . . . . A 8 ILE HG21 . 36485 1 66 . 1 . 1 14 14 ILE HG22 H 1 0.144 0.005 . 1 . . . . A 8 ILE HG22 . 36485 1 67 . 1 . 1 14 14 ILE HG23 H 1 0.144 0.005 . 1 . . . . A 8 ILE HG23 . 36485 1 68 . 1 . 1 14 14 ILE HD11 H 1 -0.734 0.005 . 1 . . . . A 8 ILE HD11 . 36485 1 69 . 1 . 1 14 14 ILE HD12 H 1 -0.734 0.005 . 1 . . . . A 8 ILE HD12 . 36485 1 70 . 1 . 1 14 14 ILE HD13 H 1 -0.734 0.005 . 1 . . . . A 8 ILE HD13 . 36485 1 71 . 1 . 1 14 14 ILE C C 13 175.019 0.000 . 1 . . . . A 8 ILE C . 36485 1 72 . 1 . 1 14 14 ILE CA C 13 60.287 0.040 . 1 . . . . A 8 ILE CA . 36485 1 73 . 1 . 1 14 14 ILE CB C 13 39.300 0.060 . 1 . . . . A 8 ILE CB . 36485 1 74 . 1 . 1 14 14 ILE CG1 C 13 26.701 0.060 . 1 . . . . A 8 ILE CG1 . 36485 1 75 . 1 . 1 14 14 ILE CG2 C 13 16.101 0.040 . 1 . . . . A 8 ILE CG2 . 36485 1 76 . 1 . 1 14 14 ILE CD1 C 13 11.314 0.040 . 1 . . . . A 8 ILE CD1 . 36485 1 77 . 1 . 1 14 14 ILE N N 15 122.357 0.080 . 1 . . . . A 8 ILE N . 36485 1 78 . 1 . 1 15 15 VAL H H 1 9.167 0.004 . 1 . . . . A 9 VAL H . 36485 1 79 . 1 . 1 15 15 VAL HA H 1 4.437 0.007 . 1 . . . . A 9 VAL HA . 36485 1 80 . 1 . 1 15 15 VAL HB H 1 1.915 0.005 . 1 . . . . A 9 VAL HB . 36485 1 81 . 1 . 1 15 15 VAL HG11 H 1 0.642 0.004 . 2 . . . . A 9 VAL HG11 . 36485 1 82 . 1 . 1 15 15 VAL HG12 H 1 0.642 0.004 . 2 . . . . A 9 VAL HG12 . 36485 1 83 . 1 . 1 15 15 VAL HG13 H 1 0.642 0.004 . 2 . . . . A 9 VAL HG13 . 36485 1 84 . 1 . 1 15 15 VAL HG21 H 1 0.608 0.003 . 2 . . . . A 9 VAL HG21 . 36485 1 85 . 1 . 1 15 15 VAL HG22 H 1 0.608 0.003 . 2 . . . . A 9 VAL HG22 . 36485 1 86 . 1 . 1 15 15 VAL HG23 H 1 0.608 0.003 . 2 . . . . A 9 VAL HG23 . 36485 1 87 . 1 . 1 15 15 VAL C C 13 173.093 0.000 . 1 . . . . A 9 VAL C . 36485 1 88 . 1 . 1 15 15 VAL CA C 13 60.658 0.100 . 1 . . . . A 9 VAL CA . 36485 1 89 . 1 . 1 15 15 VAL CB C 13 35.245 0.040 . 1 . . . . A 9 VAL CB . 36485 1 90 . 1 . 1 15 15 VAL CG1 C 13 19.909 0.070 . 2 . . . . A 9 VAL CG1 . 36485 1 91 . 1 . 1 15 15 VAL CG2 C 13 21.131 0.070 . 2 . . . . A 9 VAL CG2 . 36485 1 92 . 1 . 1 15 15 VAL N N 15 127.588 0.086 . 1 . . . . A 9 VAL N . 36485 1 93 . 1 . 1 16 16 ALA H H 1 8.592 0.005 . 1 . . . . A 10 ALA H . 36485 1 94 . 1 . 1 16 16 ALA HA H 1 5.240 0.004 . 1 . . . . A 10 ALA HA . 36485 1 95 . 1 . 1 16 16 ALA HB1 H 1 1.156 0.005 . 1 . . . . A 10 ALA HB1 . 36485 1 96 . 1 . 1 16 16 ALA HB2 H 1 1.156 0.005 . 1 . . . . A 10 ALA HB2 . 36485 1 97 . 1 . 1 16 16 ALA HB3 H 1 1.156 0.005 . 1 . . . . A 10 ALA HB3 . 36485 1 98 . 1 . 1 16 16 ALA CA C 13 49.653 0.050 . 1 . . . . A 10 ALA CA . 36485 1 99 . 1 . 1 16 16 ALA CB C 13 20.563 0.090 . 1 . . . . A 10 ALA CB . 36485 1 100 . 1 . 1 16 16 ALA N N 15 127.650 0.070 . 1 . . . . A 10 ALA N . 36485 1 101 . 1 . 1 17 17 VAL HA H 1 3.419 0.008 . 1 . . . . A 11 VAL HA . 36485 1 102 . 1 . 1 17 17 VAL HB H 1 2.271 0.005 . 1 . . . . A 11 VAL HB . 36485 1 103 . 1 . 1 17 17 VAL HG11 H 1 0.956 0.005 . 2 . . . . A 11 VAL HG11 . 36485 1 104 . 1 . 1 17 17 VAL HG12 H 1 0.956 0.005 . 2 . . . . A 11 VAL HG12 . 36485 1 105 . 1 . 1 17 17 VAL HG13 H 1 0.956 0.005 . 2 . . . . A 11 VAL HG13 . 36485 1 106 . 1 . 1 17 17 VAL HG21 H 1 0.912 0.005 . 2 . . . . A 11 VAL HG21 . 36485 1 107 . 1 . 1 17 17 VAL HG22 H 1 0.912 0.005 . 2 . . . . A 11 VAL HG22 . 36485 1 108 . 1 . 1 17 17 VAL HG23 H 1 0.912 0.005 . 2 . . . . A 11 VAL HG23 . 36485 1 109 . 1 . 1 17 17 VAL C C 13 175.876 0.000 . 1 . . . . A 11 VAL C . 36485 1 110 . 1 . 1 17 17 VAL CA C 13 65.690 0.040 . 1 . . . . A 11 VAL CA . 36485 1 111 . 1 . 1 17 17 VAL CB C 13 29.892 0.040 . 1 . . . . A 11 VAL CB . 36485 1 112 . 1 . 1 17 17 VAL CG1 C 13 21.723 0.100 . 2 . . . . A 11 VAL CG1 . 36485 1 113 . 1 . 1 17 17 VAL CG2 C 13 22.042 0.010 . 2 . . . . A 11 VAL CG2 . 36485 1 114 . 1 . 1 18 18 GLU H H 1 8.522 0.005 . 1 . . . . A 12 GLU H . 36485 1 115 . 1 . 1 18 18 GLU HA H 1 4.016 0.006 . 1 . . . . A 12 GLU HA . 36485 1 116 . 1 . 1 18 18 GLU HB2 H 1 2.076 0.005 . 2 . . . . A 12 GLU HB2 . 36485 1 117 . 1 . 1 18 18 GLU HB3 H 1 1.974 0.005 . 2 . . . . A 12 GLU HB3 . 36485 1 118 . 1 . 1 18 18 GLU HG2 H 1 2.117 0.007 . 2 . . . . A 12 GLU HG2 . 36485 1 119 . 1 . 1 18 18 GLU HG3 H 1 2.117 0.007 . 2 . . . . A 12 GLU HG3 . 36485 1 120 . 1 . 1 18 18 GLU C C 13 175.582 0.000 . 1 . . . . A 12 GLU C . 36485 1 121 . 1 . 1 18 18 GLU CA C 13 56.974 0.050 . 1 . . . . A 12 GLU CA . 36485 1 122 . 1 . 1 18 18 GLU CB C 13 29.665 0.070 . 1 . . . . A 12 GLU CB . 36485 1 123 . 1 . 1 18 18 GLU CG C 13 36.618 0.050 . 1 . . . . A 12 GLU CG . 36485 1 124 . 1 . 1 18 18 GLU N N 15 115.489 0.100 . 1 . . . . A 12 GLU N . 36485 1 125 . 1 . 1 19 19 ARG H H 1 7.549 0.005 . 1 . . . . A 13 ARG H . 36485 1 126 . 1 . 1 19 19 ARG HA H 1 4.454 0.005 . 1 . . . . A 13 ARG HA . 36485 1 127 . 1 . 1 19 19 ARG HB2 H 1 1.831 0.005 . 2 . . . . A 13 ARG HB2 . 36485 1 128 . 1 . 1 19 19 ARG HB3 H 1 1.671 0.005 . 2 . . . . A 13 ARG HB3 . 36485 1 129 . 1 . 1 19 19 ARG HG2 H 1 1.401 0.009 . 2 . . . . A 13 ARG HG2 . 36485 1 130 . 1 . 1 19 19 ARG HG3 H 1 1.401 0.009 . 2 . . . . A 13 ARG HG3 . 36485 1 131 . 1 . 1 19 19 ARG HD2 H 1 3.136 0.001 . 2 . . . . A 13 ARG HD2 . 36485 1 132 . 1 . 1 19 19 ARG HD3 H 1 3.092 0.005 . 2 . . . . A 13 ARG HD3 . 36485 1 133 . 1 . 1 19 19 ARG C C 13 174.082 0.000 . 1 . . . . A 13 ARG C . 36485 1 134 . 1 . 1 19 19 ARG CA C 13 54.895 0.050 . 1 . . . . A 13 ARG CA . 36485 1 135 . 1 . 1 19 19 ARG CB C 13 32.136 0.050 . 1 . . . . A 13 ARG CB . 36485 1 136 . 1 . 1 19 19 ARG CG C 13 26.565 0.080 . 1 . . . . A 13 ARG CG . 36485 1 137 . 1 . 1 19 19 ARG CD C 13 43.183 0.060 . 1 . . . . A 13 ARG CD . 36485 1 138 . 1 . 1 19 19 ARG N N 15 118.336 0.080 . 1 . . . . A 13 ARG N . 36485 1 139 . 1 . 1 20 20 GLU H H 1 8.682 0.003 . 1 . . . . A 14 GLU H . 36485 1 140 . 1 . 1 20 20 GLU HA H 1 4.088 0.005 . 1 . . . . A 14 GLU HA . 36485 1 141 . 1 . 1 20 20 GLU HB2 H 1 1.879 0.010 . 2 . . . . A 14 GLU HB2 . 36485 1 142 . 1 . 1 20 20 GLU HB3 H 1 1.879 0.010 . 2 . . . . A 14 GLU HB3 . 36485 1 143 . 1 . 1 20 20 GLU HG2 H 1 1.982 0.005 . 2 . . . . A 14 GLU HG2 . 36485 1 144 . 1 . 1 20 20 GLU HG3 H 1 1.735 0.005 . 2 . . . . A 14 GLU HG3 . 36485 1 145 . 1 . 1 20 20 GLU C C 13 175.778 0.000 . 1 . . . . A 14 GLU C . 36485 1 146 . 1 . 1 20 20 GLU CA C 13 57.368 0.070 . 1 . . . . A 14 GLU CA . 36485 1 147 . 1 . 1 20 20 GLU CB C 13 30.347 0.000 . 1 . . . . A 14 GLU CB . 36485 1 148 . 1 . 1 20 20 GLU CG C 13 37.133 0.100 . 1 . . . . A 14 GLU CG . 36485 1 149 . 1 . 1 20 20 GLU N N 15 124.329 0.080 . 1 . . . . A 14 GLU N . 36485 1 150 . 1 . 1 21 21 ILE H H 1 8.815 0.005 . 1 . . . . A 15 ILE H . 36485 1 151 . 1 . 1 21 21 ILE HA H 1 4.070 0.007 . 1 . . . . A 15 ILE HA . 36485 1 152 . 1 . 1 21 21 ILE HB H 1 1.474 0.005 . 1 . . . . A 15 ILE HB . 36485 1 153 . 1 . 1 21 21 ILE HG12 H 1 1.229 0.004 . 2 . . . . A 15 ILE HG12 . 36485 1 154 . 1 . 1 21 21 ILE HG13 H 1 1.136 0.005 . 2 . . . . A 15 ILE HG13 . 36485 1 155 . 1 . 1 21 21 ILE HG21 H 1 0.706 0.004 . 1 . . . . A 15 ILE HG21 . 36485 1 156 . 1 . 1 21 21 ILE HG22 H 1 0.706 0.004 . 1 . . . . A 15 ILE HG22 . 36485 1 157 . 1 . 1 21 21 ILE HG23 H 1 0.706 0.004 . 1 . . . . A 15 ILE HG23 . 36485 1 158 . 1 . 1 21 21 ILE HD11 H 1 0.658 0.005 . 1 . . . . A 15 ILE HD11 . 36485 1 159 . 1 . 1 21 21 ILE HD12 H 1 0.658 0.005 . 1 . . . . A 15 ILE HD12 . 36485 1 160 . 1 . 1 21 21 ILE HD13 H 1 0.658 0.005 . 1 . . . . A 15 ILE HD13 . 36485 1 161 . 1 . 1 21 21 ILE C C 13 176.218 0.000 . 1 . . . . A 15 ILE C . 36485 1 162 . 1 . 1 21 21 ILE CA C 13 61.378 0.062 . 1 . . . . A 15 ILE CA . 36485 1 163 . 1 . 1 21 21 ILE CB C 13 37.445 0.060 . 1 . . . . A 15 ILE CB . 36485 1 164 . 1 . 1 21 21 ILE CG1 C 13 27.294 0.090 . 1 . . . . A 15 ILE CG1 . 36485 1 165 . 1 . 1 21 21 ILE CG2 C 13 17.554 0.100 . 1 . . . . A 15 ILE CG2 . 36485 1 166 . 1 . 1 21 21 ILE CD1 C 13 11.245 0.050 . 1 . . . . A 15 ILE CD1 . 36485 1 167 . 1 . 1 21 21 ILE N N 15 128.545 0.080 . 1 . . . . A 15 ILE N . 36485 1 168 . 1 . 1 22 22 TRP H H 1 7.825 0.004 . 1 . . . . A 16 TRP H . 36485 1 169 . 1 . 1 22 22 TRP HA H 1 4.436 0.006 . 1 . . . . A 16 TRP HA . 36485 1 170 . 1 . 1 22 22 TRP HB2 H 1 3.296 0.005 . 2 . . . . A 16 TRP HB2 . 36485 1 171 . 1 . 1 22 22 TRP HB3 H 1 2.097 0.005 . 2 . . . . A 16 TRP HB3 . 36485 1 172 . 1 . 1 22 22 TRP HD1 H 1 6.609 0.005 . 1 . . . . A 16 TRP HD1 . 36485 1 173 . 1 . 1 22 22 TRP HE1 H 1 10.149 0.003 . 1 . . . . A 16 TRP HE1 . 36485 1 174 . 1 . 1 22 22 TRP HZ2 H 1 7.316 0.002 . 1 . . . . A 16 TRP HZ2 . 36485 1 175 . 1 . 1 22 22 TRP C C 13 173.224 0.000 . 1 . . . . A 16 TRP C . 36485 1 176 . 1 . 1 22 22 TRP CA C 13 59.329 0.070 . 1 . . . . A 16 TRP CA . 36485 1 177 . 1 . 1 22 22 TRP CB C 13 32.495 0.100 . 1 . . . . A 16 TRP CB . 36485 1 178 . 1 . 1 22 22 TRP CZ2 C 13 114.616 0.000 . 1 . . . . A 16 TRP CZ2 . 36485 1 179 . 1 . 1 22 22 TRP N N 15 119.548 0.080 . 1 . . . . A 16 TRP N . 36485 1 180 . 1 . 1 22 22 TRP NE1 N 15 130.026 0.100 . 1 . . . . A 16 TRP NE1 . 36485 1 181 . 1 . 1 23 23 SER H H 1 6.597 0.004 . 1 . . . . A 17 SER H . 36485 1 182 . 1 . 1 23 23 SER HA H 1 4.452 0.003 . 1 . . . . A 17 SER HA . 36485 1 183 . 1 . 1 23 23 SER HB2 H 1 3.466 0.010 . 2 . . . . A 17 SER HB2 . 36485 1 184 . 1 . 1 23 23 SER HB3 H 1 3.466 0.010 . 2 . . . . A 17 SER HB3 . 36485 1 185 . 1 . 1 23 23 SER C C 13 171.709 0.000 . 1 . . . . A 17 SER C . 36485 1 186 . 1 . 1 23 23 SER CA C 13 57.181 0.070 . 1 . . . . A 17 SER CA . 36485 1 187 . 1 . 1 23 23 SER CB C 13 64.861 0.060 . 1 . . . . A 17 SER CB . 36485 1 188 . 1 . 1 23 23 SER N N 15 118.942 0.078 . 1 . . . . A 17 SER N . 36485 1 189 . 1 . 1 24 24 GLY H H 1 7.747 0.002 . 1 . . . . A 18 GLY H . 36485 1 190 . 1 . 1 24 24 GLY HA2 H 1 3.593 0.005 . 2 . . . . A 18 GLY HA2 . 36485 1 191 . 1 . 1 24 24 GLY HA3 H 1 3.380 0.004 . 2 . . . . A 18 GLY HA3 . 36485 1 192 . 1 . 1 24 24 GLY C C 13 170.882 0.000 . 1 . . . . A 18 GLY C . 36485 1 193 . 1 . 1 24 24 GLY CA C 13 45.419 0.100 . 1 . . . . A 18 GLY CA . 36485 1 194 . 1 . 1 24 24 GLY N N 15 108.546 0.060 . 1 . . . . A 18 GLY N . 36485 1 195 . 1 . 1 25 25 LYS H H 1 7.992 0.004 . 1 . . . . A 19 LYS H . 36485 1 196 . 1 . 1 25 25 LYS HA H 1 5.143 0.005 . 1 . . . . A 19 LYS HA . 36485 1 197 . 1 . 1 25 25 LYS HB2 H 1 1.611 0.005 . 2 . . . . A 19 LYS HB2 . 36485 1 198 . 1 . 1 25 25 LYS HB3 H 1 1.458 0.005 . 2 . . . . A 19 LYS HB3 . 36485 1 199 . 1 . 1 25 25 LYS HG2 H 1 1.312 0.006 . 2 . . . . A 19 LYS HG2 . 36485 1 200 . 1 . 1 25 25 LYS HG3 H 1 1.312 0.006 . 2 . . . . A 19 LYS HG3 . 36485 1 201 . 1 . 1 25 25 LYS HD2 H 1 1.511 0.006 . 2 . . . . A 19 LYS HD2 . 36485 1 202 . 1 . 1 25 25 LYS HD3 H 1 1.511 0.006 . 2 . . . . A 19 LYS HD3 . 36485 1 203 . 1 . 1 25 25 LYS HE2 H 1 2.722 0.007 . 2 . . . . A 19 LYS HE2 . 36485 1 204 . 1 . 1 25 25 LYS HE3 H 1 2.722 0.007 . 2 . . . . A 19 LYS HE3 . 36485 1 205 . 1 . 1 25 25 LYS C C 13 176.457 0.000 . 1 . . . . A 19 LYS C . 36485 1 206 . 1 . 1 25 25 LYS CA C 13 54.095 0.030 . 1 . . . . A 19 LYS CA . 36485 1 207 . 1 . 1 25 25 LYS CB C 13 35.140 0.050 . 1 . . . . A 19 LYS CB . 36485 1 208 . 1 . 1 25 25 LYS CG C 13 25.032 0.030 . 1 . . . . A 19 LYS CG . 36485 1 209 . 1 . 1 25 25 LYS CD C 13 28.415 0.070 . 1 . . . . A 19 LYS CD . 36485 1 210 . 1 . 1 25 25 LYS N N 15 118.449 0.080 . 1 . . . . A 19 LYS N . 36485 1 211 . 1 . 1 26 26 ALA H H 1 9.104 0.004 . 1 . . . . A 20 ALA H . 36485 1 212 . 1 . 1 26 26 ALA HA H 1 5.089 0.005 . 1 . . . . A 20 ALA HA . 36485 1 213 . 1 . 1 26 26 ALA HB1 H 1 1.330 0.004 . 1 . . . . A 20 ALA HB1 . 36485 1 214 . 1 . 1 26 26 ALA HB2 H 1 1.330 0.004 . 1 . . . . A 20 ALA HB2 . 36485 1 215 . 1 . 1 26 26 ALA HB3 H 1 1.330 0.004 . 1 . . . . A 20 ALA HB3 . 36485 1 216 . 1 . 1 26 26 ALA C C 13 176.334 0.000 . 1 . . . . A 20 ALA C . 36485 1 217 . 1 . 1 26 26 ALA CA C 13 50.477 0.060 . 1 . . . . A 20 ALA CA . 36485 1 218 . 1 . 1 26 26 ALA CB C 13 25.527 0.080 . 1 . . . . A 20 ALA CB . 36485 1 219 . 1 . 1 26 26 ALA N N 15 122.426 0.090 . 1 . . . . A 20 ALA N . 36485 1 220 . 1 . 1 27 27 THR H H 1 9.244 0.005 . 1 . . . . A 21 THR H . 36485 1 221 . 1 . 1 27 27 THR HA H 1 4.496 0.005 . 1 . . . . A 21 THR HA . 36485 1 222 . 1 . 1 27 27 THR HB H 1 4.188 0.005 . 1 . . . . A 21 THR HB . 36485 1 223 . 1 . 1 27 27 THR HG21 H 1 1.210 0.004 . 1 . . . . A 21 THR HG21 . 36485 1 224 . 1 . 1 27 27 THR HG22 H 1 1.210 0.004 . 1 . . . . A 21 THR HG22 . 36485 1 225 . 1 . 1 27 27 THR HG23 H 1 1.210 0.004 . 1 . . . . A 21 THR HG23 . 36485 1 226 . 1 . 1 27 27 THR C C 13 175.158 0.000 . 1 . . . . A 21 THR C . 36485 1 227 . 1 . 1 27 27 THR CA C 13 62.337 0.040 . 1 . . . . A 21 THR CA . 36485 1 228 . 1 . 1 27 27 THR CB C 13 68.878 0.080 . 1 . . . . A 21 THR CB . 36485 1 229 . 1 . 1 27 27 THR CG2 C 13 23.469 0.100 . 1 . . . . A 21 THR CG2 . 36485 1 230 . 1 . 1 27 27 THR N N 15 110.078 0.080 . 1 . . . . A 21 THR N . 36485 1 231 . 1 . 1 28 28 PHE H H 1 7.322 0.004 . 1 . . . . A 22 PHE H . 36485 1 232 . 1 . 1 28 28 PHE HA H 1 5.098 0.004 . 1 . . . . A 22 PHE HA . 36485 1 233 . 1 . 1 28 28 PHE HB2 H 1 3.205 0.005 . 2 . . . . A 22 PHE HB2 . 36485 1 234 . 1 . 1 28 28 PHE HB3 H 1 2.379 0.004 . 2 . . . . A 22 PHE HB3 . 36485 1 235 . 1 . 1 28 28 PHE HD1 H 1 6.923 0.010 . 3 . . . . A 22 PHE HD1 . 36485 1 236 . 1 . 1 28 28 PHE HD2 H 1 6.923 0.010 . 3 . . . . A 22 PHE HD2 . 36485 1 237 . 1 . 1 28 28 PHE C C 13 173.516 0.000 . 1 . . . . A 22 PHE C . 36485 1 238 . 1 . 1 28 28 PHE CA C 13 57.219 0.080 . 1 . . . . A 22 PHE CA . 36485 1 239 . 1 . 1 28 28 PHE CB C 13 42.871 0.050 . 1 . . . . A 22 PHE CB . 36485 1 240 . 1 . 1 28 28 PHE N N 15 119.821 0.090 . 1 . . . . A 22 PHE N . 36485 1 241 . 1 . 1 29 29 VAL H H 1 7.668 0.005 . 1 . . . . A 23 VAL H . 36485 1 242 . 1 . 1 29 29 VAL HA H 1 4.591 0.005 . 1 . . . . A 23 VAL HA . 36485 1 243 . 1 . 1 29 29 VAL HB H 1 1.542 0.005 . 1 . . . . A 23 VAL HB . 36485 1 244 . 1 . 1 29 29 VAL HG11 H 1 0.629 0.004 . 2 . . . . A 23 VAL HG11 . 36485 1 245 . 1 . 1 29 29 VAL HG12 H 1 0.629 0.004 . 2 . . . . A 23 VAL HG12 . 36485 1 246 . 1 . 1 29 29 VAL HG13 H 1 0.629 0.004 . 2 . . . . A 23 VAL HG13 . 36485 1 247 . 1 . 1 29 29 VAL HG21 H 1 0.452 0.005 . 2 . . . . A 23 VAL HG21 . 36485 1 248 . 1 . 1 29 29 VAL HG22 H 1 0.452 0.005 . 2 . . . . A 23 VAL HG22 . 36485 1 249 . 1 . 1 29 29 VAL HG23 H 1 0.452 0.005 . 2 . . . . A 23 VAL HG23 . 36485 1 250 . 1 . 1 29 29 VAL C C 13 172.284 0.000 . 1 . . . . A 23 VAL C . 36485 1 251 . 1 . 1 29 29 VAL CA C 13 60.269 0.090 . 1 . . . . A 23 VAL CA . 36485 1 252 . 1 . 1 29 29 VAL CB C 13 34.724 0.060 . 1 . . . . A 23 VAL CB . 36485 1 253 . 1 . 1 29 29 VAL CG1 C 13 21.847 0.100 . 2 . . . . A 23 VAL CG1 . 36485 1 254 . 1 . 1 29 29 VAL CG2 C 13 20.496 0.030 . 2 . . . . A 23 VAL CG2 . 36485 1 255 . 1 . 1 29 29 VAL N N 15 124.941 0.100 . 1 . . . . A 23 VAL N . 36485 1 256 . 1 . 1 30 30 PHE H H 1 8.872 0.004 . 1 . . . . A 24 PHE H . 36485 1 257 . 1 . 1 30 30 PHE HA H 1 5.587 0.005 . 1 . . . . A 24 PHE HA . 36485 1 258 . 1 . 1 30 30 PHE HB2 H 1 2.761 0.005 . 2 . . . . A 24 PHE HB2 . 36485 1 259 . 1 . 1 30 30 PHE HB3 H 1 2.682 0.005 . 2 . . . . A 24 PHE HB3 . 36485 1 260 . 1 . 1 30 30 PHE HD1 H 1 7.130 0.010 . 3 . . . . A 24 PHE HD1 . 36485 1 261 . 1 . 1 30 30 PHE HD2 H 1 7.130 0.010 . 3 . . . . A 24 PHE HD2 . 36485 1 262 . 1 . 1 30 30 PHE C C 13 174.267 0.000 . 1 . . . . A 24 PHE C . 36485 1 263 . 1 . 1 30 30 PHE CA C 13 53.720 0.030 . 1 . . . . A 24 PHE CA . 36485 1 264 . 1 . 1 30 30 PHE CB C 13 43.255 0.030 . 1 . . . . A 24 PHE CB . 36485 1 265 . 1 . 1 30 30 PHE N N 15 127.744 0.080 . 1 . . . . A 24 PHE N . 36485 1 266 . 1 . 1 31 31 THR H H 1 8.328 0.003 . 1 . . . . A 25 THR H . 36485 1 267 . 1 . 1 31 31 THR HA H 1 4.415 0.005 . 1 . . . . A 25 THR HA . 36485 1 268 . 1 . 1 31 31 THR HB H 1 4.215 0.005 . 1 . . . . A 25 THR HB . 36485 1 269 . 1 . 1 31 31 THR HG21 H 1 0.636 0.005 . 1 . . . . A 25 THR HG21 . 36485 1 270 . 1 . 1 31 31 THR HG22 H 1 0.636 0.005 . 1 . . . . A 25 THR HG22 . 36485 1 271 . 1 . 1 31 31 THR HG23 H 1 0.636 0.005 . 1 . . . . A 25 THR HG23 . 36485 1 272 . 1 . 1 31 31 THR C C 13 170.266 0.000 . 1 . . . . A 25 THR C . 36485 1 273 . 1 . 1 31 31 THR CA C 13 60.307 0.080 . 1 . . . . A 25 THR CA . 36485 1 274 . 1 . 1 31 31 THR CB C 13 67.826 0.010 . 1 . . . . A 25 THR CB . 36485 1 275 . 1 . 1 31 31 THR CG2 C 13 17.098 0.040 . 1 . . . . A 25 THR CG2 . 36485 1 276 . 1 . 1 31 31 THR N N 15 119.231 0.065 . 1 . . . . A 25 THR N . 36485 1 277 . 1 . 1 32 32 ARG H H 1 8.635 0.005 . 1 . . . . A 26 ARG H . 36485 1 278 . 1 . 1 32 32 ARG HA H 1 4.583 0.005 . 1 . . . . A 26 ARG HA . 36485 1 279 . 1 . 1 32 32 ARG HB2 H 1 1.802 0.005 . 2 . . . . A 26 ARG HB2 . 36485 1 280 . 1 . 1 32 32 ARG HB3 H 1 1.473 0.005 . 2 . . . . A 26 ARG HB3 . 36485 1 281 . 1 . 1 32 32 ARG HG2 H 1 1.435 0.005 . 2 . . . . A 26 ARG HG2 . 36485 1 282 . 1 . 1 32 32 ARG HG3 H 1 1.092 0.005 . 2 . . . . A 26 ARG HG3 . 36485 1 283 . 1 . 1 32 32 ARG HD2 H 1 3.396 0.005 . 2 . . . . A 26 ARG HD2 . 36485 1 284 . 1 . 1 32 32 ARG HD3 H 1 2.731 0.005 . 2 . . . . A 26 ARG HD3 . 36485 1 285 . 1 . 1 32 32 ARG C C 13 174.712 0.000 . 1 . . . . A 26 ARG C . 36485 1 286 . 1 . 1 32 32 ARG CA C 13 56.074 0.070 . 1 . . . . A 26 ARG CA . 36485 1 287 . 1 . 1 32 32 ARG CB C 13 34.479 0.100 . 1 . . . . A 26 ARG CB . 36485 1 288 . 1 . 1 32 32 ARG CG C 13 27.752 0.040 . 1 . . . . A 26 ARG CG . 36485 1 289 . 1 . 1 32 32 ARG CD C 13 42.996 0.030 . 1 . . . . A 26 ARG CD . 36485 1 290 . 1 . 1 32 32 ARG N N 15 123.143 0.070 . 1 . . . . A 26 ARG N . 36485 1 291 . 1 . 1 33 33 THR H H 1 8.343 0.005 . 1 . . . . A 27 THR H . 36485 1 292 . 1 . 1 33 33 THR HA H 1 5.047 0.005 . 1 . . . . A 27 THR HA . 36485 1 293 . 1 . 1 33 33 THR HB H 1 4.591 0.005 . 1 . . . . A 27 THR HB . 36485 1 294 . 1 . 1 33 33 THR HG21 H 1 0.878 0.005 . 1 . . . . A 27 THR HG21 . 36485 1 295 . 1 . 1 33 33 THR HG22 H 1 0.878 0.005 . 1 . . . . A 27 THR HG22 . 36485 1 296 . 1 . 1 33 33 THR HG23 H 1 0.878 0.005 . 1 . . . . A 27 THR HG23 . 36485 1 297 . 1 . 1 33 33 THR C C 13 176.457 0.000 . 1 . . . . A 27 THR C . 36485 1 298 . 1 . 1 33 33 THR CA C 13 59.884 0.080 . 1 . . . . A 27 THR CA . 36485 1 299 . 1 . 1 33 33 THR CB C 13 71.346 0.090 . 1 . . . . A 27 THR CB . 36485 1 300 . 1 . 1 33 33 THR CG2 C 13 21.422 0.030 . 1 . . . . A 27 THR CG2 . 36485 1 301 . 1 . 1 33 33 THR N N 15 116.267 0.100 . 1 . . . . A 27 THR N . 36485 1 302 . 1 . 1 34 34 THR H H 1 8.349 0.004 . 1 . . . . A 28 THR H . 36485 1 303 . 1 . 1 34 34 THR HA H 1 3.867 0.004 . 1 . . . . A 28 THR HA . 36485 1 304 . 1 . 1 34 34 THR HB H 1 4.346 0.003 . 1 . . . . A 28 THR HB . 36485 1 305 . 1 . 1 34 34 THR HG21 H 1 0.990 0.004 . 1 . . . . A 28 THR HG21 . 36485 1 306 . 1 . 1 34 34 THR HG22 H 1 0.990 0.004 . 1 . . . . A 28 THR HG22 . 36485 1 307 . 1 . 1 34 34 THR HG23 H 1 0.990 0.004 . 1 . . . . A 28 THR HG23 . 36485 1 308 . 1 . 1 34 34 THR C C 13 175.072 0.000 . 1 . . . . A 28 THR C . 36485 1 309 . 1 . 1 34 34 THR CA C 13 64.446 0.040 . 1 . . . . A 28 THR CA . 36485 1 310 . 1 . 1 34 34 THR CB C 13 68.207 0.100 . 1 . . . . A 28 THR CB . 36485 1 311 . 1 . 1 34 34 THR CG2 C 13 22.167 0.050 . 1 . . . . A 28 THR CG2 . 36485 1 312 . 1 . 1 34 34 THR N N 15 110.322 0.100 . 1 . . . . A 28 THR N . 36485 1 313 . 1 . 1 35 35 SER H H 1 8.126 0.005 . 1 . . . . A 29 SER H . 36485 1 314 . 1 . 1 35 35 SER HA H 1 4.605 0.003 . 1 . . . . A 29 SER HA . 36485 1 315 . 1 . 1 35 35 SER HB2 H 1 3.757 0.002 . 2 . . . . A 29 SER HB2 . 36485 1 316 . 1 . 1 35 35 SER HB3 H 1 3.757 0.002 . 2 . . . . A 29 SER HB3 . 36485 1 317 . 1 . 1 35 35 SER C C 13 173.667 0.000 . 1 . . . . A 29 SER C . 36485 1 318 . 1 . 1 35 35 SER CA C 13 58.462 0.100 . 1 . . . . A 29 SER CA . 36485 1 319 . 1 . 1 35 35 SER CB C 13 63.724 0.050 . 1 . . . . A 29 SER CB . 36485 1 320 . 1 . 1 35 35 SER N N 15 114.778 0.090 . 1 . . . . A 29 SER N . 36485 1 321 . 1 . 1 36 36 GLY H H 1 8.126 0.005 . 1 . . . . A 30 GLY H . 36485 1 322 . 1 . 1 36 36 GLY HA2 H 1 4.569 0.005 . 2 . . . . A 30 GLY HA2 . 36485 1 323 . 1 . 1 36 36 GLY HA3 H 1 3.738 0.004 . 2 . . . . A 30 GLY HA3 . 36485 1 324 . 1 . 1 36 36 GLY C C 13 173.678 0.000 . 1 . . . . A 30 GLY C . 36485 1 325 . 1 . 1 36 36 GLY CA C 13 44.059 0.060 . 1 . . . . A 30 GLY CA . 36485 1 326 . 1 . 1 36 36 GLY N N 15 109.551 0.100 . 1 . . . . A 30 GLY N . 36485 1 327 . 1 . 1 37 37 GLU H H 1 8.982 0.002 . 1 . . . . A 31 GLU H . 36485 1 328 . 1 . 1 37 37 GLU HA H 1 4.274 0.005 . 1 . . . . A 31 GLU HA . 36485 1 329 . 1 . 1 37 37 GLU HB2 H 1 1.933 0.004 . 2 . . . . A 31 GLU HB2 . 36485 1 330 . 1 . 1 37 37 GLU HB3 H 1 1.893 0.003 . 2 . . . . A 31 GLU HB3 . 36485 1 331 . 1 . 1 37 37 GLU HG2 H 1 2.181 0.005 . 2 . . . . A 31 GLU HG2 . 36485 1 332 . 1 . 1 37 37 GLU HG3 H 1 2.086 0.005 . 2 . . . . A 31 GLU HG3 . 36485 1 333 . 1 . 1 37 37 GLU C C 13 175.754 0.000 . 1 . . . . A 31 GLU C . 36485 1 334 . 1 . 1 37 37 GLU CA C 13 57.634 0.080 . 1 . . . . A 31 GLU CA . 36485 1 335 . 1 . 1 37 37 GLU CB C 13 30.485 0.070 . 1 . . . . A 31 GLU CB . 36485 1 336 . 1 . 1 37 37 GLU CG C 13 36.486 0.080 . 1 . . . . A 31 GLU CG . 36485 1 337 . 1 . 1 37 37 GLU N N 15 121.316 0.050 . 1 . . . . A 31 GLU N . 36485 1 338 . 1 . 1 38 38 ILE H H 1 8.818 0.004 . 1 . . . . A 32 ILE H . 36485 1 339 . 1 . 1 38 38 ILE HA H 1 4.540 0.005 . 1 . . . . A 32 ILE HA . 36485 1 340 . 1 . 1 38 38 ILE HB H 1 1.481 0.005 . 1 . . . . A 32 ILE HB . 36485 1 341 . 1 . 1 38 38 ILE HG12 H 1 1.456 0.005 . 2 . . . . A 32 ILE HG12 . 36485 1 342 . 1 . 1 38 38 ILE HG13 H 1 0.611 0.005 . 2 . . . . A 32 ILE HG13 . 36485 1 343 . 1 . 1 38 38 ILE HG21 H 1 0.483 0.005 . 1 . . . . A 32 ILE HG21 . 36485 1 344 . 1 . 1 38 38 ILE HG22 H 1 0.483 0.005 . 1 . . . . A 32 ILE HG22 . 36485 1 345 . 1 . 1 38 38 ILE HG23 H 1 0.483 0.005 . 1 . . . . A 32 ILE HG23 . 36485 1 346 . 1 . 1 38 38 ILE HD11 H 1 0.506 0.004 . 1 . . . . A 32 ILE HD11 . 36485 1 347 . 1 . 1 38 38 ILE HD12 H 1 0.506 0.004 . 1 . . . . A 32 ILE HD12 . 36485 1 348 . 1 . 1 38 38 ILE HD13 H 1 0.506 0.004 . 1 . . . . A 32 ILE HD13 . 36485 1 349 . 1 . 1 38 38 ILE C C 13 171.048 0.000 . 1 . . . . A 32 ILE C . 36485 1 350 . 1 . 1 38 38 ILE CA C 13 60.088 0.080 . 1 . . . . A 32 ILE CA . 36485 1 351 . 1 . 1 38 38 ILE CB C 13 41.519 0.100 . 1 . . . . A 32 ILE CB . 36485 1 352 . 1 . 1 38 38 ILE CG1 C 13 28.677 0.030 . 1 . . . . A 32 ILE CG1 . 36485 1 353 . 1 . 1 38 38 ILE CG2 C 13 16.115 0.030 . 1 . . . . A 32 ILE CG2 . 36485 1 354 . 1 . 1 38 38 ILE CD1 C 13 13.852 0.100 . 1 . . . . A 32 ILE CD1 . 36485 1 355 . 1 . 1 38 38 ILE N N 15 122.611 0.100 . 1 . . . . A 32 ILE N . 36485 1 356 . 1 . 1 39 39 GLY H H 1 8.299 0.005 . 1 . . . . A 33 GLY H . 36485 1 357 . 1 . 1 39 39 GLY HA2 H 1 4.692 0.005 . 2 . . . . A 33 GLY HA2 . 36485 1 358 . 1 . 1 39 39 GLY HA3 H 1 3.555 0.005 . 2 . . . . A 33 GLY HA3 . 36485 1 359 . 1 . 1 39 39 GLY C C 13 172.752 0.000 . 1 . . . . A 33 GLY C . 36485 1 360 . 1 . 1 39 39 GLY CA C 13 45.174 0.090 . 1 . . . . A 33 GLY CA . 36485 1 361 . 1 . 1 39 39 GLY N N 15 114.689 0.079 . 1 . . . . A 33 GLY N . 36485 1 362 . 1 . 1 40 40 ILE H H 1 8.928 0.004 . 1 . . . . A 34 ILE H . 36485 1 363 . 1 . 1 40 40 ILE HA H 1 3.902 0.005 . 1 . . . . A 34 ILE HA . 36485 1 364 . 1 . 1 40 40 ILE HB H 1 1.482 0.005 . 1 . . . . A 34 ILE HB . 36485 1 365 . 1 . 1 40 40 ILE HG12 H 1 1.085 0.005 . 2 . . . . A 34 ILE HG12 . 36485 1 366 . 1 . 1 40 40 ILE HG13 H 1 1.085 0.005 . 2 . . . . A 34 ILE HG13 . 36485 1 367 . 1 . 1 40 40 ILE HG21 H 1 0.505 0.004 . 1 . . . . A 34 ILE HG21 . 36485 1 368 . 1 . 1 40 40 ILE HG22 H 1 0.505 0.004 . 1 . . . . A 34 ILE HG22 . 36485 1 369 . 1 . 1 40 40 ILE HG23 H 1 0.505 0.004 . 1 . . . . A 34 ILE HG23 . 36485 1 370 . 1 . 1 40 40 ILE HD11 H 1 0.337 0.005 . 1 . . . . A 34 ILE HD11 . 36485 1 371 . 1 . 1 40 40 ILE HD12 H 1 0.337 0.005 . 1 . . . . A 34 ILE HD12 . 36485 1 372 . 1 . 1 40 40 ILE HD13 H 1 0.337 0.005 . 1 . . . . A 34 ILE HD13 . 36485 1 373 . 1 . 1 40 40 ILE CA C 13 61.357 0.090 . 1 . . . . A 34 ILE CA . 36485 1 374 . 1 . 1 40 40 ILE CB C 13 39.103 0.080 . 1 . . . . A 34 ILE CB . 36485 1 375 . 1 . 1 40 40 ILE CG1 C 13 26.724 0.020 . 1 . . . . A 34 ILE CG1 . 36485 1 376 . 1 . 1 40 40 ILE CG2 C 13 17.789 0.060 . 1 . . . . A 34 ILE CG2 . 36485 1 377 . 1 . 1 40 40 ILE CD1 C 13 14.273 0.020 . 1 . . . . A 34 ILE CD1 . 36485 1 378 . 1 . 1 40 40 ILE N N 15 127.171 0.100 . 1 . . . . A 34 ILE N . 36485 1 379 . 1 . 1 41 41 LEU HA H 1 4.859 0.005 . 1 . . . . A 35 LEU HA . 36485 1 380 . 1 . 1 41 41 LEU HB2 H 1 1.559 0.007 . 2 . . . . A 35 LEU HB2 . 36485 1 381 . 1 . 1 41 41 LEU HB3 H 1 1.559 0.007 . 2 . . . . A 35 LEU HB3 . 36485 1 382 . 1 . 1 41 41 LEU HG H 1 1.758 0.004 . 1 . . . . A 35 LEU HG . 36485 1 383 . 1 . 1 41 41 LEU HD11 H 1 1.055 0.005 . 2 . . . . A 35 LEU HD11 . 36485 1 384 . 1 . 1 41 41 LEU HD12 H 1 1.055 0.005 . 2 . . . . A 35 LEU HD12 . 36485 1 385 . 1 . 1 41 41 LEU HD13 H 1 1.055 0.005 . 2 . . . . A 35 LEU HD13 . 36485 1 386 . 1 . 1 41 41 LEU HD21 H 1 0.916 0.005 . 2 . . . . A 35 LEU HD21 . 36485 1 387 . 1 . 1 41 41 LEU HD22 H 1 0.916 0.005 . 2 . . . . A 35 LEU HD22 . 36485 1 388 . 1 . 1 41 41 LEU HD23 H 1 0.916 0.005 . 2 . . . . A 35 LEU HD23 . 36485 1 389 . 1 . 1 41 41 LEU CA C 13 52.379 0.090 . 1 . . . . A 35 LEU CA . 36485 1 390 . 1 . 1 41 41 LEU CB C 13 42.731 0.050 . 1 . . . . A 35 LEU CB . 36485 1 391 . 1 . 1 41 41 LEU CG C 13 27.560 0.100 . 1 . . . . A 35 LEU CG . 36485 1 392 . 1 . 1 41 41 LEU CD1 C 13 24.039 0.020 . 2 . . . . A 35 LEU CD1 . 36485 1 393 . 1 . 1 41 41 LEU CD2 C 13 25.578 0.070 . 2 . . . . A 35 LEU CD2 . 36485 1 394 . 1 . 1 42 42 PRO HA H 1 3.935 0.005 . 1 . . . . A 36 PRO HA . 36485 1 395 . 1 . 1 42 42 PRO HB2 H 1 1.765 0.003 . 2 . . . . A 36 PRO HB2 . 36485 1 396 . 1 . 1 42 42 PRO HB3 H 1 1.460 0.005 . 2 . . . . A 36 PRO HB3 . 36485 1 397 . 1 . 1 42 42 PRO HG2 H 1 1.970 0.001 . 2 . . . . A 36 PRO HG2 . 36485 1 398 . 1 . 1 42 42 PRO HG3 H 1 1.912 0.005 . 2 . . . . A 36 PRO HG3 . 36485 1 399 . 1 . 1 42 42 PRO HD2 H 1 3.713 0.005 . 2 . . . . A 36 PRO HD2 . 36485 1 400 . 1 . 1 42 42 PRO HD3 H 1 3.484 0.005 . 2 . . . . A 36 PRO HD3 . 36485 1 401 . 1 . 1 42 42 PRO C C 13 176.217 0.000 . 1 . . . . A 36 PRO C . 36485 1 402 . 1 . 1 42 42 PRO CA C 13 63.956 0.070 . 1 . . . . A 36 PRO CA . 36485 1 403 . 1 . 1 42 42 PRO CB C 13 31.389 0.080 . 1 . . . . A 36 PRO CB . 36485 1 404 . 1 . 1 42 42 PRO CG C 13 28.384 0.010 . 1 . . . . A 36 PRO CG . 36485 1 405 . 1 . 1 42 42 PRO CD C 13 50.193 0.100 . 1 . . . . A 36 PRO CD . 36485 1 406 . 1 . 1 43 43 HIS H H 1 8.326 0.005 . 1 . . . . A 37 HIS H . 36485 1 407 . 1 . 1 43 43 HIS N N 15 115.066 0.100 . 1 . . . . A 37 HIS N . 36485 1 408 . 1 . 1 44 44 HIS HB2 H 1 2.813 0.001 . 2 . . . . A 38 HIS HB2 . 36485 1 409 . 1 . 1 44 44 HIS HB3 H 1 2.813 0.001 . 2 . . . . A 38 HIS HB3 . 36485 1 410 . 1 . 1 45 45 ILE HA H 1 4.284 0.005 . 1 . . . . A 39 ILE HA . 36485 1 411 . 1 . 1 45 45 ILE HB H 1 1.807 0.005 . 1 . . . . A 39 ILE HB . 36485 1 412 . 1 . 1 45 45 ILE HG12 H 1 1.406 0.005 . 2 . . . . A 39 ILE HG12 . 36485 1 413 . 1 . 1 45 45 ILE HG13 H 1 1.031 0.005 . 2 . . . . A 39 ILE HG13 . 36485 1 414 . 1 . 1 45 45 ILE HG21 H 1 0.897 0.005 . 1 . . . . A 39 ILE HG21 . 36485 1 415 . 1 . 1 45 45 ILE HG22 H 1 0.897 0.005 . 1 . . . . A 39 ILE HG22 . 36485 1 416 . 1 . 1 45 45 ILE HG23 H 1 0.897 0.005 . 1 . . . . A 39 ILE HG23 . 36485 1 417 . 1 . 1 45 45 ILE HD11 H 1 0.801 0.003 . 1 . . . . A 39 ILE HD11 . 36485 1 418 . 1 . 1 45 45 ILE HD12 H 1 0.801 0.003 . 1 . . . . A 39 ILE HD12 . 36485 1 419 . 1 . 1 45 45 ILE HD13 H 1 0.801 0.003 . 1 . . . . A 39 ILE HD13 . 36485 1 420 . 1 . 1 45 45 ILE CA C 13 60.017 0.010 . 1 . . . . A 39 ILE CA . 36485 1 421 . 1 . 1 45 45 ILE CB C 13 37.881 0.080 . 1 . . . . A 39 ILE CB . 36485 1 422 . 1 . 1 45 45 ILE CG1 C 13 26.208 0.010 . 1 . . . . A 39 ILE CG1 . 36485 1 423 . 1 . 1 45 45 ILE CG2 C 13 17.457 0.050 . 1 . . . . A 39 ILE CG2 . 36485 1 424 . 1 . 1 45 45 ILE CD1 C 13 13.571 0.020 . 1 . . . . A 39 ILE CD1 . 36485 1 425 . 1 . 1 46 46 PRO HA H 1 4.107 0.005 . 1 . . . . A 40 PRO HA . 36485 1 426 . 1 . 1 46 46 PRO HB2 H 1 2.289 0.005 . 2 . . . . A 40 PRO HB2 . 36485 1 427 . 1 . 1 46 46 PRO HB3 H 1 1.738 0.003 . 2 . . . . A 40 PRO HB3 . 36485 1 428 . 1 . 1 46 46 PRO HG2 H 1 2.051 0.005 . 2 . . . . A 40 PRO HG2 . 36485 1 429 . 1 . 1 46 46 PRO HG3 H 1 1.627 0.003 . 2 . . . . A 40 PRO HG3 . 36485 1 430 . 1 . 1 46 46 PRO HD2 H 1 3.841 0.005 . 2 . . . . A 40 PRO HD2 . 36485 1 431 . 1 . 1 46 46 PRO HD3 H 1 3.480 0.005 . 2 . . . . A 40 PRO HD3 . 36485 1 432 . 1 . 1 46 46 PRO C C 13 176.299 0.000 . 1 . . . . A 40 PRO C . 36485 1 433 . 1 . 1 46 46 PRO CA C 13 63.925 0.040 . 1 . . . . A 40 PRO CA . 36485 1 434 . 1 . 1 46 46 PRO CB C 13 32.379 0.020 . 1 . . . . A 40 PRO CB . 36485 1 435 . 1 . 1 46 46 PRO CG C 13 28.245 0.040 . 1 . . . . A 40 PRO CG . 36485 1 436 . 1 . 1 46 46 PRO CD C 13 51.101 0.100 . 1 . . . . A 40 PRO CD . 36485 1 437 . 1 . 1 47 47 LEU H H 1 8.068 0.005 . 1 . . . . A 41 LEU H . 36485 1 438 . 1 . 1 47 47 LEU HA H 1 4.463 0.004 . 1 . . . . A 41 LEU HA . 36485 1 439 . 1 . 1 47 47 LEU HB2 H 1 1.745 0.005 . 2 . . . . A 41 LEU HB2 . 36485 1 440 . 1 . 1 47 47 LEU HB3 H 1 1.576 0.005 . 2 . . . . A 41 LEU HB3 . 36485 1 441 . 1 . 1 47 47 LEU HG H 1 1.461 0.004 . 1 . . . . A 41 LEU HG . 36485 1 442 . 1 . 1 47 47 LEU HD11 H 1 0.696 0.004 . 2 . . . . A 41 LEU HD11 . 36485 1 443 . 1 . 1 47 47 LEU HD12 H 1 0.696 0.004 . 2 . . . . A 41 LEU HD12 . 36485 1 444 . 1 . 1 47 47 LEU HD13 H 1 0.696 0.004 . 2 . . . . A 41 LEU HD13 . 36485 1 445 . 1 . 1 47 47 LEU HD21 H 1 0.706 0.005 . 2 . . . . A 41 LEU HD21 . 36485 1 446 . 1 . 1 47 47 LEU HD22 H 1 0.706 0.005 . 2 . . . . A 41 LEU HD22 . 36485 1 447 . 1 . 1 47 47 LEU HD23 H 1 0.706 0.005 . 2 . . . . A 41 LEU HD23 . 36485 1 448 . 1 . 1 47 47 LEU C C 13 174.185 0.000 . 1 . . . . A 41 LEU C . 36485 1 449 . 1 . 1 47 47 LEU CA C 13 55.459 0.070 . 1 . . . . A 41 LEU CA . 36485 1 450 . 1 . 1 47 47 LEU CB C 13 44.728 0.040 . 1 . . . . A 41 LEU CB . 36485 1 451 . 1 . 1 47 47 LEU CG C 13 26.229 0.050 . 1 . . . . A 41 LEU CG . 36485 1 452 . 1 . 1 47 47 LEU CD1 C 13 26.955 0.080 . 2 . . . . A 41 LEU CD1 . 36485 1 453 . 1 . 1 47 47 LEU CD2 C 13 24.001 0.100 . 2 . . . . A 41 LEU CD2 . 36485 1 454 . 1 . 1 47 47 LEU N N 15 120.991 0.070 . 1 . . . . A 41 LEU N . 36485 1 455 . 1 . 1 48 48 VAL H H 1 8.019 0.004 . 1 . . . . A 42 VAL H . 36485 1 456 . 1 . 1 48 48 VAL HA H 1 5.104 0.005 . 1 . . . . A 42 VAL HA . 36485 1 457 . 1 . 1 48 48 VAL HB H 1 1.965 0.005 . 1 . . . . A 42 VAL HB . 36485 1 458 . 1 . 1 48 48 VAL HG11 H 1 0.911 0.005 . 2 . . . . A 42 VAL HG11 . 36485 1 459 . 1 . 1 48 48 VAL HG12 H 1 0.911 0.005 . 2 . . . . A 42 VAL HG12 . 36485 1 460 . 1 . 1 48 48 VAL HG13 H 1 0.911 0.005 . 2 . . . . A 42 VAL HG13 . 36485 1 461 . 1 . 1 48 48 VAL HG21 H 1 0.893 0.003 . 2 . . . . A 42 VAL HG21 . 36485 1 462 . 1 . 1 48 48 VAL HG22 H 1 0.893 0.003 . 2 . . . . A 42 VAL HG22 . 36485 1 463 . 1 . 1 48 48 VAL HG23 H 1 0.893 0.003 . 2 . . . . A 42 VAL HG23 . 36485 1 464 . 1 . 1 48 48 VAL C C 13 175.445 0.000 . 1 . . . . A 42 VAL C . 36485 1 465 . 1 . 1 48 48 VAL CA C 13 60.447 0.100 . 1 . . . . A 42 VAL CA . 36485 1 466 . 1 . 1 48 48 VAL CB C 13 34.267 0.070 . 1 . . . . A 42 VAL CB . 36485 1 467 . 1 . 1 48 48 VAL CG1 C 13 20.669 0.020 . 2 . . . . A 42 VAL CG1 . 36485 1 468 . 1 . 1 48 48 VAL CG2 C 13 20.247 0.020 . 2 . . . . A 42 VAL CG2 . 36485 1 469 . 1 . 1 48 48 VAL N N 15 119.546 0.070 . 1 . . . . A 42 VAL N . 36485 1 470 . 1 . 1 49 49 ALA H H 1 9.044 0.005 . 1 . . . . A 43 ALA H . 36485 1 471 . 1 . 1 49 49 ALA HA H 1 4.588 0.004 . 1 . . . . A 43 ALA HA . 36485 1 472 . 1 . 1 49 49 ALA HB1 H 1 1.194 0.005 . 1 . . . . A 43 ALA HB1 . 36485 1 473 . 1 . 1 49 49 ALA HB2 H 1 1.194 0.005 . 1 . . . . A 43 ALA HB2 . 36485 1 474 . 1 . 1 49 49 ALA HB3 H 1 1.194 0.005 . 1 . . . . A 43 ALA HB3 . 36485 1 475 . 1 . 1 49 49 ALA C C 13 174.261 0.000 . 1 . . . . A 43 ALA C . 36485 1 476 . 1 . 1 49 49 ALA CA C 13 50.966 0.070 . 1 . . . . A 43 ALA CA . 36485 1 477 . 1 . 1 49 49 ALA CB C 13 22.887 0.040 . 1 . . . . A 43 ALA CB . 36485 1 478 . 1 . 1 49 49 ALA N N 15 126.460 0.060 . 1 . . . . A 43 ALA N . 36485 1 479 . 1 . 1 50 50 GLN H H 1 8.818 0.003 . 1 . . . . A 44 GLN H . 36485 1 480 . 1 . 1 50 50 GLN HA H 1 3.947 0.005 . 1 . . . . A 44 GLN HA . 36485 1 481 . 1 . 1 50 50 GLN HB2 H 1 1.842 0.003 . 2 . . . . A 44 GLN HB2 . 36485 1 482 . 1 . 1 50 50 GLN HB3 H 1 1.756 0.003 . 2 . . . . A 44 GLN HB3 . 36485 1 483 . 1 . 1 50 50 GLN HG2 H 1 2.439 0.005 . 2 . . . . A 44 GLN HG2 . 36485 1 484 . 1 . 1 50 50 GLN HG3 H 1 1.731 0.003 . 2 . . . . A 44 GLN HG3 . 36485 1 485 . 1 . 1 50 50 GLN HE21 H 1 7.445 0.003 . 2 . . . . A 44 GLN HE21 . 36485 1 486 . 1 . 1 50 50 GLN HE22 H 1 6.751 0.002 . 2 . . . . A 44 GLN HE22 . 36485 1 487 . 1 . 1 50 50 GLN C C 13 175.997 0.000 . 1 . . . . A 44 GLN C . 36485 1 488 . 1 . 1 50 50 GLN CA C 13 55.694 0.090 . 1 . . . . A 44 GLN CA . 36485 1 489 . 1 . 1 50 50 GLN CB C 13 29.192 0.100 . 1 . . . . A 44 GLN CB . 36485 1 490 . 1 . 1 50 50 GLN CG C 13 33.046 0.080 . 1 . . . . A 44 GLN CG . 36485 1 491 . 1 . 1 50 50 GLN N N 15 123.002 0.100 . 1 . . . . A 44 GLN N . 36485 1 492 . 1 . 1 50 50 GLN NE2 N 15 111.699 0.100 . 1 . . . . A 44 GLN NE2 . 36485 1 493 . 1 . 1 51 51 LEU H H 1 7.606 0.004 . 1 . . . . A 45 LEU H . 36485 1 494 . 1 . 1 51 51 LEU HA H 1 3.947 0.005 . 1 . . . . A 45 LEU HA . 36485 1 495 . 1 . 1 51 51 LEU HB2 H 1 1.525 0.005 . 2 . . . . A 45 LEU HB2 . 36485 1 496 . 1 . 1 51 51 LEU HB3 H 1 1.385 0.005 . 2 . . . . A 45 LEU HB3 . 36485 1 497 . 1 . 1 51 51 LEU HG H 1 1.135 0.005 . 1 . . . . A 45 LEU HG . 36485 1 498 . 1 . 1 51 51 LEU HD11 H 1 0.518 0.005 . 2 . . . . A 45 LEU HD11 . 36485 1 499 . 1 . 1 51 51 LEU HD12 H 1 0.518 0.005 . 2 . . . . A 45 LEU HD12 . 36485 1 500 . 1 . 1 51 51 LEU HD13 H 1 0.518 0.005 . 2 . . . . A 45 LEU HD13 . 36485 1 501 . 1 . 1 51 51 LEU HD21 H 1 0.527 0.005 . 2 . . . . A 45 LEU HD21 . 36485 1 502 . 1 . 1 51 51 LEU HD22 H 1 0.527 0.005 . 2 . . . . A 45 LEU HD22 . 36485 1 503 . 1 . 1 51 51 LEU HD23 H 1 0.527 0.005 . 2 . . . . A 45 LEU HD23 . 36485 1 504 . 1 . 1 51 51 LEU C C 13 178.208 0.000 . 1 . . . . A 45 LEU C . 36485 1 505 . 1 . 1 51 51 LEU CA C 13 54.564 0.090 . 1 . . . . A 45 LEU CA . 36485 1 506 . 1 . 1 51 51 LEU CB C 13 40.964 0.040 . 1 . . . . A 45 LEU CB . 36485 1 507 . 1 . 1 51 51 LEU CG C 13 27.273 0.010 . 1 . . . . A 45 LEU CG . 36485 1 508 . 1 . 1 51 51 LEU CD1 C 13 25.268 0.100 . 2 . . . . A 45 LEU CD1 . 36485 1 509 . 1 . 1 51 51 LEU CD2 C 13 23.582 0.040 . 2 . . . . A 45 LEU CD2 . 36485 1 510 . 1 . 1 51 51 LEU N N 15 122.895 0.080 . 1 . . . . A 45 LEU N . 36485 1 511 . 1 . 1 52 52 VAL H H 1 7.190 0.003 . 1 . . . . A 46 VAL H . 36485 1 512 . 1 . 1 52 52 VAL HA H 1 4.015 0.004 . 1 . . . . A 46 VAL HA . 36485 1 513 . 1 . 1 52 52 VAL HB H 1 2.256 0.005 . 1 . . . . A 46 VAL HB . 36485 1 514 . 1 . 1 52 52 VAL HG11 H 1 0.672 0.005 . 2 . . . . A 46 VAL HG11 . 36485 1 515 . 1 . 1 52 52 VAL HG12 H 1 0.672 0.005 . 2 . . . . A 46 VAL HG12 . 36485 1 516 . 1 . 1 52 52 VAL HG13 H 1 0.672 0.005 . 2 . . . . A 46 VAL HG13 . 36485 1 517 . 1 . 1 52 52 VAL HG21 H 1 0.752 0.005 . 2 . . . . A 46 VAL HG21 . 36485 1 518 . 1 . 1 52 52 VAL HG22 H 1 0.752 0.005 . 2 . . . . A 46 VAL HG22 . 36485 1 519 . 1 . 1 52 52 VAL HG23 H 1 0.752 0.005 . 2 . . . . A 46 VAL HG23 . 36485 1 520 . 1 . 1 52 52 VAL C C 13 175.883 0.000 . 1 . . . . A 46 VAL C . 36485 1 521 . 1 . 1 52 52 VAL CA C 13 62.556 0.070 . 1 . . . . A 46 VAL CA . 36485 1 522 . 1 . 1 52 52 VAL CB C 13 31.945 0.080 . 1 . . . . A 46 VAL CB . 36485 1 523 . 1 . 1 52 52 VAL CG1 C 13 23.076 0.040 . 2 . . . . A 46 VAL CG1 . 36485 1 524 . 1 . 1 52 52 VAL CG2 C 13 17.930 0.050 . 2 . . . . A 46 VAL CG2 . 36485 1 525 . 1 . 1 52 52 VAL N N 15 112.194 0.080 . 1 . . . . A 46 VAL N . 36485 1 526 . 1 . 1 53 53 ASP H H 1 8.643 0.005 . 1 . . . . A 47 ASP H . 36485 1 527 . 1 . 1 53 53 ASP HA H 1 4.215 0.005 . 1 . . . . A 47 ASP HA . 36485 1 528 . 1 . 1 53 53 ASP HB2 H 1 2.567 0.005 . 2 . . . . A 47 ASP HB2 . 36485 1 529 . 1 . 1 53 53 ASP HB3 H 1 2.511 0.005 . 2 . . . . A 47 ASP HB3 . 36485 1 530 . 1 . 1 53 53 ASP C C 13 175.846 0.000 . 1 . . . . A 47 ASP C . 36485 1 531 . 1 . 1 53 53 ASP CA C 13 56.441 0.090 . 1 . . . . A 47 ASP CA . 36485 1 532 . 1 . 1 53 53 ASP CB C 13 39.743 0.100 . 1 . . . . A 47 ASP CB . 36485 1 533 . 1 . 1 53 53 ASP N N 15 120.770 0.080 . 1 . . . . A 47 ASP N . 36485 1 534 . 1 . 1 54 54 ASP H H 1 8.521 0.005 . 1 . . . . A 48 ASP H . 36485 1 535 . 1 . 1 54 54 ASP HA H 1 4.747 0.005 . 1 . . . . A 48 ASP HA . 36485 1 536 . 1 . 1 54 54 ASP HB2 H 1 2.836 0.005 . 2 . . . . A 48 ASP HB2 . 36485 1 537 . 1 . 1 54 54 ASP HB3 H 1 2.247 0.005 . 2 . . . . A 48 ASP HB3 . 36485 1 538 . 1 . 1 54 54 ASP C C 13 175.148 0.000 . 1 . . . . A 48 ASP C . 36485 1 539 . 1 . 1 54 54 ASP CA C 13 50.290 0.050 . 1 . . . . A 48 ASP CA . 36485 1 540 . 1 . 1 54 54 ASP CB C 13 40.056 0.040 . 1 . . . . A 48 ASP CB . 36485 1 541 . 1 . 1 54 54 ASP N N 15 118.075 0.100 . 1 . . . . A 48 ASP N . 36485 1 542 . 1 . 1 55 55 ALA H H 1 6.327 0.003 . 1 . . . . A 49 ALA H . 36485 1 543 . 1 . 1 55 55 ALA HA H 1 4.005 0.005 . 1 . . . . A 49 ALA HA . 36485 1 544 . 1 . 1 55 55 ALA HB1 H 1 1.408 0.004 . 1 . . . . A 49 ALA HB1 . 36485 1 545 . 1 . 1 55 55 ALA HB2 H 1 1.408 0.004 . 1 . . . . A 49 ALA HB2 . 36485 1 546 . 1 . 1 55 55 ALA HB3 H 1 1.408 0.004 . 1 . . . . A 49 ALA HB3 . 36485 1 547 . 1 . 1 55 55 ALA CA C 13 53.676 0.090 . 1 . . . . A 49 ALA CA . 36485 1 548 . 1 . 1 55 55 ALA CB C 13 20.870 0.060 . 1 . . . . A 49 ALA CB . 36485 1 549 . 1 . 1 55 55 ALA N N 15 120.331 0.080 . 1 . . . . A 49 ALA N . 36485 1 550 . 1 . 1 56 56 ALA HA H 1 5.625 0.005 . 1 . . . . A 50 ALA HA . 36485 1 551 . 1 . 1 56 56 ALA HB1 H 1 1.536 0.005 . 1 . . . . A 50 ALA HB1 . 36485 1 552 . 1 . 1 56 56 ALA HB2 H 1 1.536 0.005 . 1 . . . . A 50 ALA HB2 . 36485 1 553 . 1 . 1 56 56 ALA HB3 H 1 1.536 0.005 . 1 . . . . A 50 ALA HB3 . 36485 1 554 . 1 . 1 56 56 ALA C C 13 178.099 0.000 . 1 . . . . A 50 ALA C . 36485 1 555 . 1 . 1 56 56 ALA CA C 13 50.001 0.040 . 1 . . . . A 50 ALA CA . 36485 1 556 . 1 . 1 56 56 ALA CB C 13 22.747 0.050 . 1 . . . . A 50 ALA CB . 36485 1 557 . 1 . 1 57 57 VAL H H 1 9.199 0.005 . 1 . . . . A 51 VAL H . 36485 1 558 . 1 . 1 57 57 VAL HA H 1 5.264 0.004 . 1 . . . . A 51 VAL HA . 36485 1 559 . 1 . 1 57 57 VAL HB H 1 1.958 0.005 . 1 . . . . A 51 VAL HB . 36485 1 560 . 1 . 1 57 57 VAL HG11 H 1 0.756 0.002 . 2 . . . . A 51 VAL HG11 . 36485 1 561 . 1 . 1 57 57 VAL HG12 H 1 0.756 0.002 . 2 . . . . A 51 VAL HG12 . 36485 1 562 . 1 . 1 57 57 VAL HG13 H 1 0.756 0.002 . 2 . . . . A 51 VAL HG13 . 36485 1 563 . 1 . 1 57 57 VAL HG21 H 1 0.747 0.005 . 2 . . . . A 51 VAL HG21 . 36485 1 564 . 1 . 1 57 57 VAL HG22 H 1 0.747 0.005 . 2 . . . . A 51 VAL HG22 . 36485 1 565 . 1 . 1 57 57 VAL HG23 H 1 0.747 0.005 . 2 . . . . A 51 VAL HG23 . 36485 1 566 . 1 . 1 57 57 VAL C C 13 174.651 0.000 . 1 . . . . A 51 VAL C . 36485 1 567 . 1 . 1 57 57 VAL CA C 13 59.750 0.053 . 1 . . . . A 51 VAL CA . 36485 1 568 . 1 . 1 57 57 VAL CB C 13 34.603 0.100 . 1 . . . . A 51 VAL CB . 36485 1 569 . 1 . 1 57 57 VAL CG1 C 13 23.455 0.100 . 2 . . . . A 51 VAL CG1 . 36485 1 570 . 1 . 1 57 57 VAL CG2 C 13 21.118 0.040 . 2 . . . . A 51 VAL CG2 . 36485 1 571 . 1 . 1 57 57 VAL N N 15 121.417 0.080 . 1 . . . . A 51 VAL N . 36485 1 572 . 1 . 1 58 58 LYS H H 1 8.590 0.004 . 1 . . . . A 52 LYS H . 36485 1 573 . 1 . 1 58 58 LYS CA C 13 53.821 0.000 . 1 . . . . A 52 LYS CA . 36485 1 574 . 1 . 1 58 58 LYS N N 15 122.674 0.100 . 1 . . . . A 52 LYS N . 36485 1 575 . 1 . 1 59 59 ILE HA H 1 4.376 0.005 . 1 . . . . A 53 ILE HA . 36485 1 576 . 1 . 1 59 59 ILE HB H 1 1.634 0.005 . 1 . . . . A 53 ILE HB . 36485 1 577 . 1 . 1 59 59 ILE HG12 H 1 1.234 0.005 . 2 . . . . A 53 ILE HG12 . 36485 1 578 . 1 . 1 59 59 ILE HG13 H 1 1.234 0.005 . 2 . . . . A 53 ILE HG13 . 36485 1 579 . 1 . 1 59 59 ILE HG21 H 1 0.748 0.005 . 1 . . . . A 53 ILE HG21 . 36485 1 580 . 1 . 1 59 59 ILE HG22 H 1 0.748 0.005 . 1 . . . . A 53 ILE HG22 . 36485 1 581 . 1 . 1 59 59 ILE HG23 H 1 0.748 0.005 . 1 . . . . A 53 ILE HG23 . 36485 1 582 . 1 . 1 59 59 ILE HD11 H 1 0.350 0.005 . 1 . . . . A 53 ILE HD11 . 36485 1 583 . 1 . 1 59 59 ILE HD12 H 1 0.350 0.005 . 1 . . . . A 53 ILE HD12 . 36485 1 584 . 1 . 1 59 59 ILE HD13 H 1 0.350 0.005 . 1 . . . . A 53 ILE HD13 . 36485 1 585 . 1 . 1 59 59 ILE CA C 13 59.947 0.030 . 1 . . . . A 53 ILE CA . 36485 1 586 . 1 . 1 59 59 ILE CB C 13 39.365 0.100 . 1 . . . . A 53 ILE CB . 36485 1 587 . 1 . 1 59 59 ILE CG2 C 13 18.117 0.070 . 1 . . . . A 53 ILE CG2 . 36485 1 588 . 1 . 1 59 59 ILE CD1 C 13 14.231 0.060 . 1 . . . . A 53 ILE CD1 . 36485 1 589 . 1 . 1 60 60 GLU HA H 1 4.658 0.005 . 1 . . . . A 54 GLU HA . 36485 1 590 . 1 . 1 60 60 GLU HB2 H 1 2.003 0.005 . 2 . . . . A 54 GLU HB2 . 36485 1 591 . 1 . 1 60 60 GLU HB3 H 1 1.948 0.005 . 2 . . . . A 54 GLU HB3 . 36485 1 592 . 1 . 1 60 60 GLU HG2 H 1 2.230 0.005 . 2 . . . . A 54 GLU HG2 . 36485 1 593 . 1 . 1 60 60 GLU HG3 H 1 2.026 0.004 . 2 . . . . A 54 GLU HG3 . 36485 1 594 . 1 . 1 60 60 GLU C C 13 175.815 0.000 . 1 . . . . A 54 GLU C . 36485 1 595 . 1 . 1 60 60 GLU CA C 13 54.716 0.010 . 1 . . . . A 54 GLU CA . 36485 1 596 . 1 . 1 60 60 GLU CB C 13 31.719 0.070 . 1 . . . . A 54 GLU CB . 36485 1 597 . 1 . 1 60 60 GLU CG C 13 36.571 0.050 . 1 . . . . A 54 GLU CG . 36485 1 598 . 1 . 1 61 61 ARG H H 1 9.449 0.005 . 1 . . . . A 55 ARG H . 36485 1 599 . 1 . 1 61 61 ARG HA H 1 4.717 0.005 . 1 . . . . A 55 ARG HA . 36485 1 600 . 1 . 1 61 61 ARG HB2 H 1 1.787 0.003 . 2 . . . . A 55 ARG HB2 . 36485 1 601 . 1 . 1 61 61 ARG HB3 H 1 1.703 0.005 . 2 . . . . A 55 ARG HB3 . 36485 1 602 . 1 . 1 61 61 ARG HG2 H 1 1.780 0.004 . 2 . . . . A 55 ARG HG2 . 36485 1 603 . 1 . 1 61 61 ARG HG3 H 1 1.502 0.005 . 2 . . . . A 55 ARG HG3 . 36485 1 604 . 1 . 1 61 61 ARG HD2 H 1 3.256 0.005 . 2 . . . . A 55 ARG HD2 . 36485 1 605 . 1 . 1 61 61 ARG HD3 H 1 3.189 0.005 . 2 . . . . A 55 ARG HD3 . 36485 1 606 . 1 . 1 61 61 ARG C C 13 174.743 0.000 . 1 . . . . A 55 ARG C . 36485 1 607 . 1 . 1 61 61 ARG CA C 13 55.031 0.070 . 1 . . . . A 55 ARG CA . 36485 1 608 . 1 . 1 61 61 ARG CB C 13 33.635 0.100 . 1 . . . . A 55 ARG CB . 36485 1 609 . 1 . 1 61 61 ARG CG C 13 26.827 0.100 . 1 . . . . A 55 ARG CG . 36485 1 610 . 1 . 1 61 61 ARG CD C 13 43.969 0.040 . 1 . . . . A 55 ARG CD . 36485 1 611 . 1 . 1 61 61 ARG N N 15 122.462 0.090 . 1 . . . . A 55 ARG N . 36485 1 612 . 1 . 1 62 62 GLU H H 1 8.514 0.003 . 1 . . . . A 56 GLU H . 36485 1 613 . 1 . 1 62 62 GLU HA H 1 4.087 0.005 . 1 . . . . A 56 GLU HA . 36485 1 614 . 1 . 1 62 62 GLU HB2 H 1 1.810 0.004 . 2 . . . . A 56 GLU HB2 . 36485 1 615 . 1 . 1 62 62 GLU HB3 H 1 1.810 0.004 . 2 . . . . A 56 GLU HB3 . 36485 1 616 . 1 . 1 62 62 GLU HG2 H 1 2.043 0.003 . 2 . . . . A 56 GLU HG2 . 36485 1 617 . 1 . 1 62 62 GLU HG3 H 1 2.043 0.003 . 2 . . . . A 56 GLU HG3 . 36485 1 618 . 1 . 1 62 62 GLU C C 13 178.027 0.000 . 1 . . . . A 56 GLU C . 36485 1 619 . 1 . 1 62 62 GLU CA C 13 57.542 0.100 . 1 . . . . A 56 GLU CA . 36485 1 620 . 1 . 1 62 62 GLU CB C 13 29.477 0.080 . 1 . . . . A 56 GLU CB . 36485 1 621 . 1 . 1 62 62 GLU CG C 13 35.634 0.070 . 1 . . . . A 56 GLU CG . 36485 1 622 . 1 . 1 62 62 GLU N N 15 124.598 0.090 . 1 . . . . A 56 GLU N . 36485 1 623 . 1 . 1 63 63 GLY H H 1 8.983 0.005 . 1 . . . . A 57 GLY H . 36485 1 624 . 1 . 1 63 63 GLY HA2 H 1 4.090 0.003 . 2 . . . . A 57 GLY HA2 . 36485 1 625 . 1 . 1 63 63 GLY HA3 H 1 3.682 0.005 . 2 . . . . A 57 GLY HA3 . 36485 1 626 . 1 . 1 63 63 GLY C C 13 173.917 0.000 . 1 . . . . A 57 GLY C . 36485 1 627 . 1 . 1 63 63 GLY CA C 13 45.736 0.100 . 1 . . . . A 57 GLY CA . 36485 1 628 . 1 . 1 63 63 GLY N N 15 115.675 0.070 . 1 . . . . A 57 GLY N . 36485 1 629 . 1 . 1 64 64 SER H H 1 7.802 0.005 . 1 . . . . A 58 SER H . 36485 1 630 . 1 . 1 64 64 SER HA H 1 4.798 0.005 . 1 . . . . A 58 SER HA . 36485 1 631 . 1 . 1 64 64 SER HB2 H 1 3.834 0.003 . 2 . . . . A 58 SER HB2 . 36485 1 632 . 1 . 1 64 64 SER HB3 H 1 3.569 0.005 . 2 . . . . A 58 SER HB3 . 36485 1 633 . 1 . 1 64 64 SER C C 13 173.131 0.000 . 1 . . . . A 58 SER C . 36485 1 634 . 1 . 1 64 64 SER CA C 13 57.021 0.090 . 1 . . . . A 58 SER CA . 36485 1 635 . 1 . 1 64 64 SER CB C 13 65.622 0.070 . 1 . . . . A 58 SER CB . 36485 1 636 . 1 . 1 64 64 SER N N 15 114.014 0.070 . 1 . . . . A 58 SER N . 36485 1 637 . 1 . 1 65 65 ASP H H 1 8.478 0.003 . 1 . . . . A 59 ASP H . 36485 1 638 . 1 . 1 65 65 ASP HA H 1 4.525 0.005 . 1 . . . . A 59 ASP HA . 36485 1 639 . 1 . 1 65 65 ASP HB2 H 1 2.708 0.004 . 2 . . . . A 59 ASP HB2 . 36485 1 640 . 1 . 1 65 65 ASP HB3 H 1 2.443 0.005 . 2 . . . . A 59 ASP HB3 . 36485 1 641 . 1 . 1 65 65 ASP C C 13 176.339 0.000 . 1 . . . . A 59 ASP C . 36485 1 642 . 1 . 1 65 65 ASP CA C 13 54.520 0.050 . 1 . . . . A 59 ASP CA . 36485 1 643 . 1 . 1 65 65 ASP CB C 13 41.189 0.050 . 1 . . . . A 59 ASP CB . 36485 1 644 . 1 . 1 65 65 ASP N N 15 122.115 0.090 . 1 . . . . A 59 ASP N . 36485 1 645 . 1 . 1 66 66 ASP H H 1 8.635 0.005 . 1 . . . . A 60 ASP H . 36485 1 646 . 1 . 1 66 66 ASP HA H 1 4.623 0.005 . 1 . . . . A 60 ASP HA . 36485 1 647 . 1 . 1 66 66 ASP HB2 H 1 2.584 0.003 . 2 . . . . A 60 ASP HB2 . 36485 1 648 . 1 . 1 66 66 ASP HB3 H 1 2.129 0.005 . 2 . . . . A 60 ASP HB3 . 36485 1 649 . 1 . 1 66 66 ASP CA C 13 54.790 0.060 . 1 . . . . A 60 ASP CA . 36485 1 650 . 1 . 1 66 66 ASP CB C 13 41.281 0.080 . 1 . . . . A 60 ASP CB . 36485 1 651 . 1 . 1 66 66 ASP N N 15 121.828 0.100 . 1 . . . . A 60 ASP N . 36485 1 652 . 1 . 1 67 67 LEU HA H 1 4.575 0.005 . 1 . . . . A 61 LEU HA . 36485 1 653 . 1 . 1 67 67 LEU HB2 H 1 1.199 0.003 . 2 . . . . A 61 LEU HB2 . 36485 1 654 . 1 . 1 67 67 LEU HB3 H 1 1.199 0.003 . 2 . . . . A 61 LEU HB3 . 36485 1 655 . 1 . 1 67 67 LEU HG H 1 1.313 0.005 . 1 . . . . A 61 LEU HG . 36485 1 656 . 1 . 1 67 67 LEU HD11 H 1 0.414 0.005 . 2 . . . . A 61 LEU HD11 . 36485 1 657 . 1 . 1 67 67 LEU HD12 H 1 0.414 0.005 . 2 . . . . A 61 LEU HD12 . 36485 1 658 . 1 . 1 67 67 LEU HD13 H 1 0.414 0.005 . 2 . . . . A 61 LEU HD13 . 36485 1 659 . 1 . 1 67 67 LEU HD21 H 1 0.517 0.002 . 2 . . . . A 61 LEU HD21 . 36485 1 660 . 1 . 1 67 67 LEU HD22 H 1 0.517 0.002 . 2 . . . . A 61 LEU HD22 . 36485 1 661 . 1 . 1 67 67 LEU HD23 H 1 0.517 0.002 . 2 . . . . A 61 LEU HD23 . 36485 1 662 . 1 . 1 67 67 LEU CA C 13 53.472 0.030 . 1 . . . . A 61 LEU CA . 36485 1 663 . 1 . 1 67 67 LEU CG C 13 26.541 0.010 . 1 . . . . A 61 LEU CG . 36485 1 664 . 1 . 1 67 67 LEU CD1 C 13 25.607 0.040 . 2 . . . . A 61 LEU CD1 . 36485 1 665 . 1 . 1 67 67 LEU CD2 C 13 23.280 0.070 . 2 . . . . A 61 LEU CD2 . 36485 1 666 . 1 . 1 68 68 TRP HA H 1 5.411 0.001 . 1 . . . . A 62 TRP HA . 36485 1 667 . 1 . 1 68 68 TRP HB2 H 1 2.812 0.002 . 2 . . . . A 62 TRP HB2 . 36485 1 668 . 1 . 1 68 68 TRP HB3 H 1 2.755 0.004 . 2 . . . . A 62 TRP HB3 . 36485 1 669 . 1 . 1 68 68 TRP HE1 H 1 10.888 0.007 . 1 . . . . A 62 TRP HE1 . 36485 1 670 . 1 . 1 68 68 TRP HE3 H 1 7.144 0.001 . 1 . . . . A 62 TRP HE3 . 36485 1 671 . 1 . 1 68 68 TRP C C 13 176.512 0.000 . 1 . . . . A 62 TRP C . 36485 1 672 . 1 . 1 68 68 TRP NE1 N 15 130.083 0.060 . 1 . . . . A 62 TRP NE1 . 36485 1 673 . 1 . 1 69 69 TRP H H 1 9.044 0.005 . 1 . . . . A 63 TRP H . 36485 1 674 . 1 . 1 69 69 TRP CA C 13 55.970 0.000 . 1 . . . . A 63 TRP CA . 36485 1 675 . 1 . 1 69 69 TRP N N 15 120.869 0.090 . 1 . . . . A 63 TRP N . 36485 1 676 . 1 . 1 70 70 ALA HA H 1 4.821 0.005 . 1 . . . . A 64 ALA HA . 36485 1 677 . 1 . 1 70 70 ALA HB1 H 1 1.170 0.005 . 1 . . . . A 64 ALA HB1 . 36485 1 678 . 1 . 1 70 70 ALA HB2 H 1 1.170 0.005 . 1 . . . . A 64 ALA HB2 . 36485 1 679 . 1 . 1 70 70 ALA HB3 H 1 1.170 0.005 . 1 . . . . A 64 ALA HB3 . 36485 1 680 . 1 . 1 70 70 ALA C C 13 175.884 0.000 . 1 . . . . A 64 ALA C . 36485 1 681 . 1 . 1 70 70 ALA CA C 13 50.888 0.100 . 1 . . . . A 64 ALA CA . 36485 1 682 . 1 . 1 70 70 ALA CB C 13 21.807 0.040 . 1 . . . . A 64 ALA CB . 36485 1 683 . 1 . 1 71 71 ILE H H 1 8.715 0.004 . 1 . . . . A 65 ILE H . 36485 1 684 . 1 . 1 71 71 ILE HA H 1 4.297 0.004 . 1 . . . . A 65 ILE HA . 36485 1 685 . 1 . 1 71 71 ILE HB H 1 1.783 0.005 . 1 . . . . A 65 ILE HB . 36485 1 686 . 1 . 1 71 71 ILE HG12 H 1 1.316 0.005 . 2 . . . . A 65 ILE HG12 . 36485 1 687 . 1 . 1 71 71 ILE HG13 H 1 0.896 0.004 . 2 . . . . A 65 ILE HG13 . 36485 1 688 . 1 . 1 71 71 ILE HG21 H 1 0.579 0.005 . 1 . . . . A 65 ILE HG21 . 36485 1 689 . 1 . 1 71 71 ILE HG22 H 1 0.579 0.005 . 1 . . . . A 65 ILE HG22 . 36485 1 690 . 1 . 1 71 71 ILE HG23 H 1 0.579 0.005 . 1 . . . . A 65 ILE HG23 . 36485 1 691 . 1 . 1 71 71 ILE HD11 H 1 0.437 0.005 . 1 . . . . A 65 ILE HD11 . 36485 1 692 . 1 . 1 71 71 ILE HD12 H 1 0.437 0.005 . 1 . . . . A 65 ILE HD12 . 36485 1 693 . 1 . 1 71 71 ILE HD13 H 1 0.437 0.005 . 1 . . . . A 65 ILE HD13 . 36485 1 694 . 1 . 1 71 71 ILE C C 13 173.230 0.000 . 1 . . . . A 65 ILE C . 36485 1 695 . 1 . 1 71 71 ILE CA C 13 58.116 0.090 . 1 . . . . A 65 ILE CA . 36485 1 696 . 1 . 1 71 71 ILE CB C 13 38.033 0.080 . 1 . . . . A 65 ILE CB . 36485 1 697 . 1 . 1 71 71 ILE CG1 C 13 26.406 0.040 . 1 . . . . A 65 ILE CG1 . 36485 1 698 . 1 . 1 71 71 ILE CG2 C 13 18.416 0.040 . 1 . . . . A 65 ILE CG2 . 36485 1 699 . 1 . 1 71 71 ILE CD1 C 13 9.912 0.050 . 1 . . . . A 65 ILE CD1 . 36485 1 700 . 1 . 1 71 71 ILE N N 15 122.028 0.100 . 1 . . . . A 65 ILE N . 36485 1 701 . 1 . 1 72 72 ASP H H 1 8.352 0.004 . 1 . . . . A 66 ASP H . 36485 1 702 . 1 . 1 72 72 ASP HA H 1 5.077 0.004 . 1 . . . . A 66 ASP HA . 36485 1 703 . 1 . 1 72 72 ASP HB2 H 1 2.611 0.005 . 2 . . . . A 66 ASP HB2 . 36485 1 704 . 1 . 1 72 72 ASP HB3 H 1 2.611 0.005 . 2 . . . . A 66 ASP HB3 . 36485 1 705 . 1 . 1 72 72 ASP C C 13 176.255 0.000 . 1 . . . . A 66 ASP C . 36485 1 706 . 1 . 1 72 72 ASP CA C 13 52.044 0.050 . 1 . . . . A 66 ASP CA . 36485 1 707 . 1 . 1 72 72 ASP CB C 13 41.161 0.100 . 1 . . . . A 66 ASP CB . 36485 1 708 . 1 . 1 72 72 ASP N N 15 125.643 0.070 . 1 . . . . A 66 ASP N . 36485 1 709 . 1 . 1 73 73 GLY H H 1 9.248 0.004 . 1 . . . . A 67 GLY H . 36485 1 710 . 1 . 1 73 73 GLY HA2 H 1 3.843 0.005 . 2 . . . . A 67 GLY HA2 . 36485 1 711 . 1 . 1 73 73 GLY HA3 H 1 3.664 0.005 . 2 . . . . A 67 GLY HA3 . 36485 1 712 . 1 . 1 73 73 GLY C C 13 175.794 0.000 . 1 . . . . A 67 GLY C . 36485 1 713 . 1 . 1 73 73 GLY CA C 13 47.779 0.080 . 1 . . . . A 67 GLY CA . 36485 1 714 . 1 . 1 73 73 GLY N N 15 116.358 0.070 . 1 . . . . A 67 GLY N . 36485 1 715 . 1 . 1 74 74 GLY H H 1 9.143 0.005 . 1 . . . . A 68 GLY H . 36485 1 716 . 1 . 1 74 74 GLY HA2 H 1 4.784 0.005 . 2 . . . . A 68 GLY HA2 . 36485 1 717 . 1 . 1 74 74 GLY HA3 H 1 3.145 0.005 . 2 . . . . A 68 GLY HA3 . 36485 1 718 . 1 . 1 74 74 GLY C C 13 174.008 0.000 . 1 . . . . A 68 GLY C . 36485 1 719 . 1 . 1 74 74 GLY CA C 13 46.092 0.100 . 1 . . . . A 68 GLY CA . 36485 1 720 . 1 . 1 74 74 GLY N N 15 105.210 0.090 . 1 . . . . A 68 GLY N . 36485 1 721 . 1 . 1 75 75 PHE H H 1 9.192 0.005 . 1 . . . . A 69 PHE H . 36485 1 722 . 1 . 1 75 75 PHE HA H 1 4.615 0.005 . 1 . . . . A 69 PHE HA . 36485 1 723 . 1 . 1 75 75 PHE HB2 H 1 2.934 0.005 . 2 . . . . A 69 PHE HB2 . 36485 1 724 . 1 . 1 75 75 PHE HB3 H 1 2.836 0.005 . 2 . . . . A 69 PHE HB3 . 36485 1 725 . 1 . 1 75 75 PHE HD1 H 1 7.100 0.002 . 3 . . . . A 69 PHE HD1 . 36485 1 726 . 1 . 1 75 75 PHE HD2 H 1 7.072 0.008 . 3 . . . . A 69 PHE HD2 . 36485 1 727 . 1 . 1 75 75 PHE HE1 H 1 7.098 0.009 . 3 . . . . A 69 PHE HE1 . 36485 1 728 . 1 . 1 75 75 PHE HE2 H 1 7.098 0.009 . 3 . . . . A 69 PHE HE2 . 36485 1 729 . 1 . 1 75 75 PHE C C 13 172.916 0.000 . 1 . . . . A 69 PHE C . 36485 1 730 . 1 . 1 75 75 PHE CA C 13 57.928 0.070 . 1 . . . . A 69 PHE CA . 36485 1 731 . 1 . 1 75 75 PHE CB C 13 43.364 0.090 . 1 . . . . A 69 PHE CB . 36485 1 732 . 1 . 1 75 75 PHE N N 15 122.233 0.100 . 1 . . . . A 69 PHE N . 36485 1 733 . 1 . 1 76 76 LEU H H 1 9.073 0.005 . 1 . . . . A 70 LEU H . 36485 1 734 . 1 . 1 76 76 LEU HA H 1 4.873 0.005 . 1 . . . . A 70 LEU HA . 36485 1 735 . 1 . 1 76 76 LEU HB2 H 1 1.530 0.005 . 2 . . . . A 70 LEU HB2 . 36485 1 736 . 1 . 1 76 76 LEU HB3 H 1 1.033 0.005 . 2 . . . . A 70 LEU HB3 . 36485 1 737 . 1 . 1 76 76 LEU HG H 1 1.213 0.005 . 1 . . . . A 70 LEU HG . 36485 1 738 . 1 . 1 76 76 LEU HD11 H 1 0.485 0.005 . 2 . . . . A 70 LEU HD11 . 36485 1 739 . 1 . 1 76 76 LEU HD12 H 1 0.485 0.005 . 2 . . . . A 70 LEU HD12 . 36485 1 740 . 1 . 1 76 76 LEU HD13 H 1 0.485 0.005 . 2 . . . . A 70 LEU HD13 . 36485 1 741 . 1 . 1 76 76 LEU HD21 H 1 0.460 0.005 . 2 . . . . A 70 LEU HD21 . 36485 1 742 . 1 . 1 76 76 LEU HD22 H 1 0.460 0.005 . 2 . . . . A 70 LEU HD22 . 36485 1 743 . 1 . 1 76 76 LEU HD23 H 1 0.460 0.005 . 2 . . . . A 70 LEU HD23 . 36485 1 744 . 1 . 1 76 76 LEU C C 13 174.190 0.000 . 1 . . . . A 70 LEU C . 36485 1 745 . 1 . 1 76 76 LEU CA C 13 53.206 0.080 . 1 . . . . A 70 LEU CA . 36485 1 746 . 1 . 1 76 76 LEU CB C 13 46.157 0.040 . 1 . . . . A 70 LEU CB . 36485 1 747 . 1 . 1 76 76 LEU CG C 13 27.108 0.050 . 1 . . . . A 70 LEU CG . 36485 1 748 . 1 . 1 76 76 LEU CD1 C 13 24.352 0.020 . 2 . . . . A 70 LEU CD1 . 36485 1 749 . 1 . 1 76 76 LEU CD2 C 13 26.240 0.060 . 2 . . . . A 70 LEU CD2 . 36485 1 750 . 1 . 1 76 76 LEU N N 15 124.732 0.090 . 1 . . . . A 70 LEU N . 36485 1 751 . 1 . 1 77 77 SER H H 1 9.062 0.004 . 1 . . . . A 71 SER H . 36485 1 752 . 1 . 1 77 77 SER HA H 1 5.132 0.005 . 1 . . . . A 71 SER HA . 36485 1 753 . 1 . 1 77 77 SER HB2 H 1 3.708 0.005 . 2 . . . . A 71 SER HB2 . 36485 1 754 . 1 . 1 77 77 SER HB3 H 1 3.593 0.005 . 2 . . . . A 71 SER HB3 . 36485 1 755 . 1 . 1 77 77 SER C C 13 173.177 0.000 . 1 . . . . A 71 SER C . 36485 1 756 . 1 . 1 77 77 SER CA C 13 56.591 0.050 . 1 . . . . A 71 SER CA . 36485 1 757 . 1 . 1 77 77 SER CB C 13 64.044 0.080 . 1 . . . . A 71 SER CB . 36485 1 758 . 1 . 1 77 77 SER N N 15 119.835 0.100 . 1 . . . . A 71 SER N . 36485 1 759 . 1 . 1 78 78 ILE H H 1 9.312 0.005 . 1 . . . . A 72 ILE H . 36485 1 760 . 1 . 1 78 78 ILE HA H 1 4.641 0.005 . 1 . . . . A 72 ILE HA . 36485 1 761 . 1 . 1 78 78 ILE HB H 1 1.887 0.005 . 1 . . . . A 72 ILE HB . 36485 1 762 . 1 . 1 78 78 ILE HG12 H 1 1.438 0.005 . 2 . . . . A 72 ILE HG12 . 36485 1 763 . 1 . 1 78 78 ILE HG13 H 1 1.438 0.005 . 2 . . . . A 72 ILE HG13 . 36485 1 764 . 1 . 1 78 78 ILE HG21 H 1 0.728 0.005 . 1 . . . . A 72 ILE HG21 . 36485 1 765 . 1 . 1 78 78 ILE HG22 H 1 0.728 0.005 . 1 . . . . A 72 ILE HG22 . 36485 1 766 . 1 . 1 78 78 ILE HG23 H 1 0.728 0.005 . 1 . . . . A 72 ILE HG23 . 36485 1 767 . 1 . 1 78 78 ILE HD11 H 1 0.472 0.003 . 1 . . . . A 72 ILE HD11 . 36485 1 768 . 1 . 1 78 78 ILE HD12 H 1 0.472 0.003 . 1 . . . . A 72 ILE HD12 . 36485 1 769 . 1 . 1 78 78 ILE HD13 H 1 0.472 0.003 . 1 . . . . A 72 ILE HD13 . 36485 1 770 . 1 . 1 78 78 ILE C C 13 176.549 0.000 . 1 . . . . A 72 ILE C . 36485 1 771 . 1 . 1 78 78 ILE CA C 13 61.212 0.100 . 1 . . . . A 72 ILE CA . 36485 1 772 . 1 . 1 78 78 ILE CB C 13 39.863 0.040 . 1 . . . . A 72 ILE CB . 36485 1 773 . 1 . 1 78 78 ILE CG2 C 13 17.848 0.090 . 1 . . . . A 72 ILE CG2 . 36485 1 774 . 1 . 1 78 78 ILE CD1 C 13 14.513 0.010 . 1 . . . . A 72 ILE CD1 . 36485 1 775 . 1 . 1 78 78 ILE N N 15 127.857 0.090 . 1 . . . . A 72 ILE N . 36485 1 776 . 1 . 1 79 79 THR H H 1 8.787 0.005 . 1 . . . . A 73 THR H . 36485 1 777 . 1 . 1 79 79 THR HA H 1 4.683 0.004 . 1 . . . . A 73 THR HA . 36485 1 778 . 1 . 1 79 79 THR HB H 1 4.584 0.003 . 1 . . . . A 73 THR HB . 36485 1 779 . 1 . 1 79 79 THR HG21 H 1 1.096 0.005 . 1 . . . . A 73 THR HG21 . 36485 1 780 . 1 . 1 79 79 THR HG22 H 1 1.096 0.005 . 1 . . . . A 73 THR HG22 . 36485 1 781 . 1 . 1 79 79 THR HG23 H 1 1.096 0.005 . 1 . . . . A 73 THR HG23 . 36485 1 782 . 1 . 1 79 79 THR C C 13 173.657 0.000 . 1 . . . . A 73 THR C . 36485 1 783 . 1 . 1 79 79 THR CA C 13 59.295 0.070 . 1 . . . . A 73 THR CA . 36485 1 784 . 1 . 1 79 79 THR CB C 13 71.351 0.060 . 1 . . . . A 73 THR CB . 36485 1 785 . 1 . 1 79 79 THR CG2 C 13 21.395 0.030 . 1 . . . . A 73 THR CG2 . 36485 1 786 . 1 . 1 79 79 THR N N 15 119.187 0.090 . 1 . . . . A 73 THR N . 36485 1 787 . 1 . 1 80 80 ASP H H 1 8.729 0.003 . 1 . . . . A 74 ASP H . 36485 1 788 . 1 . 1 80 80 ASP HA H 1 4.409 0.003 . 1 . . . . A 74 ASP HA . 36485 1 789 . 1 . 1 80 80 ASP HB2 H 1 2.651 0.006 . 2 . . . . A 74 ASP HB2 . 36485 1 790 . 1 . 1 80 80 ASP HB3 H 1 2.651 0.006 . 2 . . . . A 74 ASP HB3 . 36485 1 791 . 1 . 1 80 80 ASP C C 13 177.055 0.000 . 1 . . . . A 74 ASP C . 36485 1 792 . 1 . 1 80 80 ASP CA C 13 56.736 0.070 . 1 . . . . A 74 ASP CA . 36485 1 793 . 1 . 1 80 80 ASP CB C 13 40.691 0.030 . 1 . . . . A 74 ASP CB . 36485 1 794 . 1 . 1 80 80 ASP N N 15 116.493 0.070 . 1 . . . . A 74 ASP N . 36485 1 795 . 1 . 1 81 81 THR H H 1 7.854 0.005 . 1 . . . . A 75 THR H . 36485 1 796 . 1 . 1 81 81 THR HA H 1 4.420 0.005 . 1 . . . . A 75 THR HA . 36485 1 797 . 1 . 1 81 81 THR HB H 1 4.234 0.005 . 1 . . . . A 75 THR HB . 36485 1 798 . 1 . 1 81 81 THR HG21 H 1 1.017 0.003 . 1 . . . . A 75 THR HG21 . 36485 1 799 . 1 . 1 81 81 THR HG22 H 1 1.017 0.003 . 1 . . . . A 75 THR HG22 . 36485 1 800 . 1 . 1 81 81 THR HG23 H 1 1.017 0.003 . 1 . . . . A 75 THR HG23 . 36485 1 801 . 1 . 1 81 81 THR CA C 13 61.484 0.040 . 1 . . . . A 75 THR CA . 36485 1 802 . 1 . 1 81 81 THR CB C 13 70.578 0.070 . 1 . . . . A 75 THR CB . 36485 1 803 . 1 . 1 81 81 THR CG2 C 13 21.647 0.040 . 1 . . . . A 75 THR CG2 . 36485 1 804 . 1 . 1 81 81 THR N N 15 105.404 0.050 . 1 . . . . A 75 THR N . 36485 1 805 . 1 . 1 82 82 LYS H H 1 7.581 0.005 . 1 . . . . A 76 LYS H . 36485 1 806 . 1 . 1 82 82 LYS HA H 1 4.963 0.004 . 1 . . . . A 76 LYS HA . 36485 1 807 . 1 . 1 82 82 LYS HB2 H 1 1.593 0.005 . 2 . . . . A 76 LYS HB2 . 36485 1 808 . 1 . 1 82 82 LYS HB3 H 1 1.442 0.005 . 2 . . . . A 76 LYS HB3 . 36485 1 809 . 1 . 1 82 82 LYS HG2 H 1 1.038 0.005 . 2 . . . . A 76 LYS HG2 . 36485 1 810 . 1 . 1 82 82 LYS HG3 H 1 0.983 0.005 . 2 . . . . A 76 LYS HG3 . 36485 1 811 . 1 . 1 82 82 LYS HD2 H 1 1.298 0.005 . 2 . . . . A 76 LYS HD2 . 36485 1 812 . 1 . 1 82 82 LYS HD3 H 1 1.220 0.005 . 2 . . . . A 76 LYS HD3 . 36485 1 813 . 1 . 1 82 82 LYS HE2 H 1 2.601 0.005 . 2 . . . . A 76 LYS HE2 . 36485 1 814 . 1 . 1 82 82 LYS HE3 H 1 2.590 0.002 . 2 . . . . A 76 LYS HE3 . 36485 1 815 . 1 . 1 82 82 LYS C C 13 173.902 0.000 . 1 . . . . A 76 LYS C . 36485 1 816 . 1 . 1 82 82 LYS CA C 13 55.853 0.050 . 1 . . . . A 76 LYS CA . 36485 1 817 . 1 . 1 82 82 LYS CB C 13 35.867 0.070 . 1 . . . . A 76 LYS CB . 36485 1 818 . 1 . 1 82 82 LYS CG C 13 24.060 0.070 . 1 . . . . A 76 LYS CG . 36485 1 819 . 1 . 1 82 82 LYS CD C 13 29.004 0.100 . 1 . . . . A 76 LYS CD . 36485 1 820 . 1 . 1 82 82 LYS CE C 13 41.516 0.040 . 1 . . . . A 76 LYS CE . 36485 1 821 . 1 . 1 82 82 LYS N N 15 123.303 0.080 . 1 . . . . A 76 LYS N . 36485 1 822 . 1 . 1 83 83 VAL H H 1 8.816 0.003 . 1 . . . . A 77 VAL H . 36485 1 823 . 1 . 1 83 83 VAL HA H 1 4.356 0.005 . 1 . . . . A 77 VAL HA . 36485 1 824 . 1 . 1 83 83 VAL HB H 1 1.889 0.004 . 1 . . . . A 77 VAL HB . 36485 1 825 . 1 . 1 83 83 VAL HG11 H 1 0.756 0.005 . 2 . . . . A 77 VAL HG11 . 36485 1 826 . 1 . 1 83 83 VAL HG12 H 1 0.756 0.005 . 2 . . . . A 77 VAL HG12 . 36485 1 827 . 1 . 1 83 83 VAL HG13 H 1 0.756 0.005 . 2 . . . . A 77 VAL HG13 . 36485 1 828 . 1 . 1 83 83 VAL HG21 H 1 0.611 0.005 . 2 . . . . A 77 VAL HG21 . 36485 1 829 . 1 . 1 83 83 VAL HG22 H 1 0.611 0.005 . 2 . . . . A 77 VAL HG22 . 36485 1 830 . 1 . 1 83 83 VAL HG23 H 1 0.611 0.005 . 2 . . . . A 77 VAL HG23 . 36485 1 831 . 1 . 1 83 83 VAL CA C 13 61.550 0.030 . 1 . . . . A 77 VAL CA . 36485 1 832 . 1 . 1 83 83 VAL CB C 13 33.510 0.040 . 1 . . . . A 77 VAL CB . 36485 1 833 . 1 . 1 83 83 VAL CG1 C 13 23.444 0.040 . 2 . . . . A 77 VAL CG1 . 36485 1 834 . 1 . 1 83 83 VAL CG2 C 13 20.862 0.060 . 2 . . . . A 77 VAL CG2 . 36485 1 835 . 1 . 1 83 83 VAL N N 15 124.913 0.100 . 1 . . . . A 77 VAL N . 36485 1 836 . 1 . 1 84 84 SER H H 1 9.056 0.005 . 1 . . . . A 78 SER H . 36485 1 837 . 1 . 1 84 84 SER HA H 1 5.233 0.005 . 1 . . . . A 78 SER HA . 36485 1 838 . 1 . 1 84 84 SER HB2 H 1 3.636 0.005 . 2 . . . . A 78 SER HB2 . 36485 1 839 . 1 . 1 84 84 SER HB3 H 1 3.534 0.003 . 2 . . . . A 78 SER HB3 . 36485 1 840 . 1 . 1 84 84 SER C C 13 172.938 0.000 . 1 . . . . A 78 SER C . 36485 1 841 . 1 . 1 84 84 SER CA C 13 56.645 0.050 . 1 . . . . A 78 SER CA . 36485 1 842 . 1 . 1 84 84 SER CB C 13 63.590 0.010 . 1 . . . . A 78 SER CB . 36485 1 843 . 1 . 1 84 84 SER N N 15 122.096 0.030 . 1 . . . . A 78 SER N . 36485 1 844 . 1 . 1 85 85 ILE H H 1 8.924 0.005 . 1 . . . . A 79 ILE H . 36485 1 845 . 1 . 1 85 85 ILE HA H 1 4.641 0.005 . 1 . . . . A 79 ILE HA . 36485 1 846 . 1 . 1 85 85 ILE HB H 1 1.712 0.005 . 1 . . . . A 79 ILE HB . 36485 1 847 . 1 . 1 85 85 ILE HG12 H 1 1.282 0.005 . 2 . . . . A 79 ILE HG12 . 36485 1 848 . 1 . 1 85 85 ILE HG13 H 1 0.733 0.005 . 2 . . . . A 79 ILE HG13 . 36485 1 849 . 1 . 1 85 85 ILE HG21 H 1 0.550 0.005 . 1 . . . . A 79 ILE HG21 . 36485 1 850 . 1 . 1 85 85 ILE HG22 H 1 0.550 0.005 . 1 . . . . A 79 ILE HG22 . 36485 1 851 . 1 . 1 85 85 ILE HG23 H 1 0.550 0.005 . 1 . . . . A 79 ILE HG23 . 36485 1 852 . 1 . 1 85 85 ILE HD11 H 1 0.443 0.004 . 1 . . . . A 79 ILE HD11 . 36485 1 853 . 1 . 1 85 85 ILE HD12 H 1 0.443 0.004 . 1 . . . . A 79 ILE HD12 . 36485 1 854 . 1 . 1 85 85 ILE HD13 H 1 0.443 0.004 . 1 . . . . A 79 ILE HD13 . 36485 1 855 . 1 . 1 85 85 ILE C C 13 173.498 0.000 . 1 . . . . A 79 ILE C . 36485 1 856 . 1 . 1 85 85 ILE CA C 13 60.028 0.060 . 1 . . . . A 79 ILE CA . 36485 1 857 . 1 . 1 85 85 ILE CB C 13 38.281 0.040 . 1 . . . . A 79 ILE CB . 36485 1 858 . 1 . 1 85 85 ILE CG1 C 13 28.361 0.070 . 1 . . . . A 79 ILE CG1 . 36485 1 859 . 1 . 1 85 85 ILE CG2 C 13 17.771 0.050 . 1 . . . . A 79 ILE CG2 . 36485 1 860 . 1 . 1 85 85 ILE CD1 C 13 13.348 0.060 . 1 . . . . A 79 ILE CD1 . 36485 1 861 . 1 . 1 85 85 ILE N N 15 127.512 0.090 . 1 . . . . A 79 ILE N . 36485 1 862 . 1 . 1 86 86 LEU H H 1 8.689 0.005 . 1 . . . . A 80 LEU H . 36485 1 863 . 1 . 1 86 86 LEU HA H 1 4.954 0.005 . 1 . . . . A 80 LEU HA . 36485 1 864 . 1 . 1 86 86 LEU HB2 H 1 1.549 0.010 . 2 . . . . A 80 LEU HB2 . 36485 1 865 . 1 . 1 86 86 LEU HB3 H 1 1.549 0.010 . 2 . . . . A 80 LEU HB3 . 36485 1 866 . 1 . 1 86 86 LEU HG H 1 1.456 0.005 . 1 . . . . A 80 LEU HG . 36485 1 867 . 1 . 1 86 86 LEU HD11 H 1 0.733 0.005 . 2 . . . . A 80 LEU HD11 . 36485 1 868 . 1 . 1 86 86 LEU HD12 H 1 0.733 0.005 . 2 . . . . A 80 LEU HD12 . 36485 1 869 . 1 . 1 86 86 LEU HD13 H 1 0.733 0.005 . 2 . . . . A 80 LEU HD13 . 36485 1 870 . 1 . 1 86 86 LEU HD21 H 1 0.700 0.005 . 2 . . . . A 80 LEU HD21 . 36485 1 871 . 1 . 1 86 86 LEU HD22 H 1 0.700 0.005 . 2 . . . . A 80 LEU HD22 . 36485 1 872 . 1 . 1 86 86 LEU HD23 H 1 0.700 0.005 . 2 . . . . A 80 LEU HD23 . 36485 1 873 . 1 . 1 86 86 LEU C C 13 175.734 0.000 . 1 . . . . A 80 LEU C . 36485 1 874 . 1 . 1 86 86 LEU CA C 13 53.442 0.080 . 1 . . . . A 80 LEU CA . 36485 1 875 . 1 . 1 86 86 LEU CB C 13 42.586 0.050 . 1 . . . . A 80 LEU CB . 36485 1 876 . 1 . 1 86 86 LEU CG C 13 27.529 0.050 . 1 . . . . A 80 LEU CG . 36485 1 877 . 1 . 1 86 86 LEU CD1 C 13 24.333 0.060 . 2 . . . . A 80 LEU CD1 . 36485 1 878 . 1 . 1 86 86 LEU CD2 C 13 24.274 0.060 . 2 . . . . A 80 LEU CD2 . 36485 1 879 . 1 . 1 86 86 LEU N N 15 129.551 0.100 . 1 . . . . A 80 LEU N . 36485 1 880 . 1 . 1 87 87 ALA H H 1 8.911 0.005 . 1 . . . . A 81 ALA H . 36485 1 881 . 1 . 1 87 87 ALA HA H 1 4.865 0.005 . 1 . . . . A 81 ALA HA . 36485 1 882 . 1 . 1 87 87 ALA HB1 H 1 1.150 0.005 . 1 . . . . A 81 ALA HB1 . 36485 1 883 . 1 . 1 87 87 ALA HB2 H 1 1.150 0.005 . 1 . . . . A 81 ALA HB2 . 36485 1 884 . 1 . 1 87 87 ALA HB3 H 1 1.150 0.005 . 1 . . . . A 81 ALA HB3 . 36485 1 885 . 1 . 1 87 87 ALA C C 13 176.730 0.000 . 1 . . . . A 81 ALA C . 36485 1 886 . 1 . 1 87 87 ALA CA C 13 50.273 0.080 . 1 . . . . A 81 ALA CA . 36485 1 887 . 1 . 1 87 87 ALA CB C 13 23.411 0.070 . 1 . . . . A 81 ALA CB . 36485 1 888 . 1 . 1 87 87 ALA N N 15 126.543 0.100 . 1 . . . . A 81 ALA N . 36485 1 889 . 1 . 1 88 88 GLU H H 1 8.536 0.005 . 1 . . . . A 82 GLU H . 36485 1 890 . 1 . 1 88 88 GLU HA H 1 4.207 0.005 . 1 . . . . A 82 GLU HA . 36485 1 891 . 1 . 1 88 88 GLU HB2 H 1 1.912 0.005 . 2 . . . . A 82 GLU HB2 . 36485 1 892 . 1 . 1 88 88 GLU HB3 H 1 1.846 0.003 . 2 . . . . A 82 GLU HB3 . 36485 1 893 . 1 . 1 88 88 GLU HG2 H 1 2.373 0.005 . 2 . . . . A 82 GLU HG2 . 36485 1 894 . 1 . 1 88 88 GLU HG3 H 1 2.214 0.005 . 2 . . . . A 82 GLU HG3 . 36485 1 895 . 1 . 1 88 88 GLU C C 13 177.313 0.000 . 1 . . . . A 82 GLU C . 36485 1 896 . 1 . 1 88 88 GLU CA C 13 58.600 0.090 . 1 . . . . A 82 GLU CA . 36485 1 897 . 1 . 1 88 88 GLU CB C 13 30.172 0.090 . 1 . . . . A 82 GLU CB . 36485 1 898 . 1 . 1 88 88 GLU CG C 13 36.660 0.060 . 1 . . . . A 82 GLU CG . 36485 1 899 . 1 . 1 88 88 GLU N N 15 120.152 0.090 . 1 . . . . A 82 GLU N . 36485 1 900 . 1 . 1 89 89 SER H H 1 7.671 0.005 . 1 . . . . A 83 SER H . 36485 1 901 . 1 . 1 89 89 SER HA H 1 4.185 0.005 . 1 . . . . A 83 SER HA . 36485 1 902 . 1 . 1 89 89 SER HB2 H 1 3.957 0.005 . 2 . . . . A 83 SER HB2 . 36485 1 903 . 1 . 1 89 89 SER HB3 H 1 3.813 0.005 . 2 . . . . A 83 SER HB3 . 36485 1 904 . 1 . 1 89 89 SER C C 13 171.899 0.000 . 1 . . . . A 83 SER C . 36485 1 905 . 1 . 1 89 89 SER CA C 13 57.431 0.083 . 1 . . . . A 83 SER CA . 36485 1 906 . 1 . 1 89 89 SER CB C 13 63.480 0.060 . 1 . . . . A 83 SER CB . 36485 1 907 . 1 . 1 89 89 SER N N 15 107.398 0.100 . 1 . . . . A 83 SER N . 36485 1 908 . 1 . 1 90 90 ALA H H 1 8.325 0.003 . 1 . . . . A 84 ALA H . 36485 1 909 . 1 . 1 90 90 ALA HA H 1 5.161 0.005 . 1 . . . . A 84 ALA HA . 36485 1 910 . 1 . 1 90 90 ALA HB1 H 1 1.169 0.004 . 1 . . . . A 84 ALA HB1 . 36485 1 911 . 1 . 1 90 90 ALA HB2 H 1 1.169 0.004 . 1 . . . . A 84 ALA HB2 . 36485 1 912 . 1 . 1 90 90 ALA HB3 H 1 1.169 0.004 . 1 . . . . A 84 ALA HB3 . 36485 1 913 . 1 . 1 90 90 ALA CA C 13 51.319 0.080 . 1 . . . . A 84 ALA CA . 36485 1 914 . 1 . 1 90 90 ALA CB C 13 23.957 0.070 . 1 . . . . A 84 ALA CB . 36485 1 915 . 1 . 1 90 90 ALA N N 15 120.490 0.090 . 1 . . . . A 84 ALA N . 36485 1 916 . 1 . 1 91 91 GLN H H 1 8.876 0.005 . 1 . . . . A 85 GLN H . 36485 1 917 . 1 . 1 91 91 GLN N N 15 119.230 0.100 . 1 . . . . A 85 GLN N . 36485 1 918 . 1 . 1 92 92 ALA C C 13 178.688 0.000 . 1 . . . . A 86 ALA C . 36485 1 919 . 1 . 1 92 92 ALA CA C 13 51.749 0.030 . 1 . . . . A 86 ALA CA . 36485 1 920 . 1 . 1 93 93 ARG H H 1 7.678 0.003 . 1 . . . . A 87 ARG H . 36485 1 921 . 1 . 1 93 93 ARG HA H 1 3.582 0.005 . 1 . . . . A 87 ARG HA . 36485 1 922 . 1 . 1 93 93 ARG HB2 H 1 1.714 0.005 . 2 . . . . A 87 ARG HB2 . 36485 1 923 . 1 . 1 93 93 ARG HB3 H 1 1.470 0.005 . 2 . . . . A 87 ARG HB3 . 36485 1 924 . 1 . 1 93 93 ARG HG2 H 1 1.414 0.005 . 2 . . . . A 87 ARG HG2 . 36485 1 925 . 1 . 1 93 93 ARG HG3 H 1 1.414 0.005 . 2 . . . . A 87 ARG HG3 . 36485 1 926 . 1 . 1 93 93 ARG HD2 H 1 3.048 0.007 . 2 . . . . A 87 ARG HD2 . 36485 1 927 . 1 . 1 93 93 ARG HD3 H 1 3.048 0.007 . 2 . . . . A 87 ARG HD3 . 36485 1 928 . 1 . 1 93 93 ARG C C 13 177.403 0.000 . 1 . . . . A 87 ARG C . 36485 1 929 . 1 . 1 93 93 ARG CA C 13 59.577 0.040 . 1 . . . . A 87 ARG CA . 36485 1 930 . 1 . 1 93 93 ARG CB C 13 30.678 0.100 . 1 . . . . A 87 ARG CB . 36485 1 931 . 1 . 1 93 93 ARG CG C 13 27.772 0.010 . 1 . . . . A 87 ARG CG . 36485 1 932 . 1 . 1 93 93 ARG CD C 13 42.958 0.040 . 1 . . . . A 87 ARG CD . 36485 1 933 . 1 . 1 93 93 ARG N N 15 121.123 0.090 . 1 . . . . A 87 ARG N . 36485 1 934 . 1 . 1 94 94 ALA H H 1 8.402 0.004 . 1 . . . . A 88 ALA H . 36485 1 935 . 1 . 1 94 94 ALA HA H 1 3.929 0.005 . 1 . . . . A 88 ALA HA . 36485 1 936 . 1 . 1 94 94 ALA HB1 H 1 1.210 0.005 . 1 . . . . A 88 ALA HB1 . 36485 1 937 . 1 . 1 94 94 ALA HB2 H 1 1.210 0.005 . 1 . . . . A 88 ALA HB2 . 36485 1 938 . 1 . 1 94 94 ALA HB3 H 1 1.210 0.005 . 1 . . . . A 88 ALA HB3 . 36485 1 939 . 1 . 1 94 94 ALA C C 13 177.448 0.000 . 1 . . . . A 88 ALA C . 36485 1 940 . 1 . 1 94 94 ALA CA C 13 54.002 0.040 . 1 . . . . A 88 ALA CA . 36485 1 941 . 1 . 1 94 94 ALA CB C 13 18.635 0.070 . 1 . . . . A 88 ALA CB . 36485 1 942 . 1 . 1 94 94 ALA N N 15 117.132 0.100 . 1 . . . . A 88 ALA N . 36485 1 943 . 1 . 1 95 95 ASP H H 1 7.507 0.004 . 1 . . . . A 89 ASP H . 36485 1 944 . 1 . 1 95 95 ASP HA H 1 4.618 0.005 . 1 . . . . A 89 ASP HA . 36485 1 945 . 1 . 1 95 95 ASP HB2 H 1 2.877 0.005 . 2 . . . . A 89 ASP HB2 . 36485 1 946 . 1 . 1 95 95 ASP HB3 H 1 2.483 0.005 . 2 . . . . A 89 ASP HB3 . 36485 1 947 . 1 . 1 95 95 ASP C C 13 175.626 0.000 . 1 . . . . A 89 ASP C . 36485 1 948 . 1 . 1 95 95 ASP CA C 13 53.924 0.100 . 1 . . . . A 89 ASP CA . 36485 1 949 . 1 . 1 95 95 ASP CB C 13 42.435 0.050 . 1 . . . . A 89 ASP CB . 36485 1 950 . 1 . 1 95 95 ASP N N 15 114.102 0.090 . 1 . . . . A 89 ASP N . 36485 1 951 . 1 . 1 96 96 ILE H H 1 7.063 0.002 . 1 . . . . A 90 ILE H . 36485 1 952 . 1 . 1 96 96 ILE HA H 1 3.393 0.005 . 1 . . . . A 90 ILE HA . 36485 1 953 . 1 . 1 96 96 ILE HB H 1 1.620 0.005 . 1 . . . . A 90 ILE HB . 36485 1 954 . 1 . 1 96 96 ILE HG12 H 1 1.965 0.005 . 2 . . . . A 90 ILE HG12 . 36485 1 955 . 1 . 1 96 96 ILE HG13 H 1 0.726 0.004 . 2 . . . . A 90 ILE HG13 . 36485 1 956 . 1 . 1 96 96 ILE HG21 H 1 0.583 0.005 . 1 . . . . A 90 ILE HG21 . 36485 1 957 . 1 . 1 96 96 ILE HG22 H 1 0.583 0.005 . 1 . . . . A 90 ILE HG22 . 36485 1 958 . 1 . 1 96 96 ILE HG23 H 1 0.583 0.005 . 1 . . . . A 90 ILE HG23 . 36485 1 959 . 1 . 1 96 96 ILE HD11 H 1 0.782 0.005 . 1 . . . . A 90 ILE HD11 . 36485 1 960 . 1 . 1 96 96 ILE HD12 H 1 0.782 0.005 . 1 . . . . A 90 ILE HD12 . 36485 1 961 . 1 . 1 96 96 ILE HD13 H 1 0.782 0.005 . 1 . . . . A 90 ILE HD13 . 36485 1 962 . 1 . 1 96 96 ILE C C 13 175.244 0.000 . 1 . . . . A 90 ILE C . 36485 1 963 . 1 . 1 96 96 ILE CA C 13 62.932 0.060 . 1 . . . . A 90 ILE CA . 36485 1 964 . 1 . 1 96 96 ILE CB C 13 38.954 0.060 . 1 . . . . A 90 ILE CB . 36485 1 965 . 1 . 1 96 96 ILE CG1 C 13 27.756 0.050 . 1 . . . . A 90 ILE CG1 . 36485 1 966 . 1 . 1 96 96 ILE CG2 C 13 18.275 0.050 . 1 . . . . A 90 ILE CG2 . 36485 1 967 . 1 . 1 96 96 ILE CD1 C 13 15.572 0.030 . 1 . . . . A 90 ILE CD1 . 36485 1 968 . 1 . 1 96 96 ILE N N 15 120.231 0.100 . 1 . . . . A 90 ILE N . 36485 1 969 . 1 . 1 97 97 ASP H H 1 8.415 0.005 . 1 . . . . A 91 ASP H . 36485 1 970 . 1 . 1 97 97 ASP HA H 1 4.607 0.005 . 1 . . . . A 91 ASP HA . 36485 1 971 . 1 . 1 97 97 ASP HB2 H 1 2.722 0.005 . 2 . . . . A 91 ASP HB2 . 36485 1 972 . 1 . 1 97 97 ASP HB3 H 1 2.515 0.005 . 2 . . . . A 91 ASP HB3 . 36485 1 973 . 1 . 1 97 97 ASP C C 13 175.764 0.000 . 1 . . . . A 91 ASP C . 36485 1 974 . 1 . 1 97 97 ASP CA C 13 52.355 0.090 . 1 . . . . A 91 ASP CA . 36485 1 975 . 1 . 1 97 97 ASP CB C 13 41.469 0.050 . 1 . . . . A 91 ASP CB . 36485 1 976 . 1 . 1 97 97 ASP N N 15 128.080 0.060 . 1 . . . . A 91 ASP N . 36485 1 977 . 1 . 1 98 98 GLU H H 1 8.943 0.003 . 1 . . . . A 92 GLU H . 36485 1 978 . 1 . 1 98 98 GLU HA H 1 3.464 0.005 . 1 . . . . A 92 GLU HA . 36485 1 979 . 1 . 1 98 98 GLU HB2 H 1 1.886 0.007 . 2 . . . . A 92 GLU HB2 . 36485 1 980 . 1 . 1 98 98 GLU HB3 H 1 1.886 0.007 . 2 . . . . A 92 GLU HB3 . 36485 1 981 . 1 . 1 98 98 GLU HG2 H 1 2.004 0.001 . 2 . . . . A 92 GLU HG2 . 36485 1 982 . 1 . 1 98 98 GLU HG3 H 1 1.939 0.004 . 2 . . . . A 92 GLU HG3 . 36485 1 983 . 1 . 1 98 98 GLU C C 13 176.733 0.000 . 1 . . . . A 92 GLU C . 36485 1 984 . 1 . 1 98 98 GLU CA C 13 59.935 0.050 . 1 . . . . A 92 GLU CA . 36485 1 985 . 1 . 1 98 98 GLU CB C 13 29.768 0.050 . 1 . . . . A 92 GLU CB . 36485 1 986 . 1 . 1 98 98 GLU CG C 13 35.769 0.034 . 1 . . . . A 92 GLU CG . 36485 1 987 . 1 . 1 98 98 GLU N N 15 129.898 0.090 . 1 . . . . A 92 GLU N . 36485 1 988 . 1 . 1 99 99 ALA H H 1 8.036 0.004 . 1 . . . . A 93 ALA H . 36485 1 989 . 1 . 1 99 99 ALA HA H 1 3.916 0.005 . 1 . . . . A 93 ALA HA . 36485 1 990 . 1 . 1 99 99 ALA HB1 H 1 1.347 0.005 . 1 . . . . A 93 ALA HB1 . 36485 1 991 . 1 . 1 99 99 ALA HB2 H 1 1.347 0.005 . 1 . . . . A 93 ALA HB2 . 36485 1 992 . 1 . 1 99 99 ALA HB3 H 1 1.347 0.005 . 1 . . . . A 93 ALA HB3 . 36485 1 993 . 1 . 1 99 99 ALA C C 13 180.743 0.000 . 1 . . . . A 93 ALA C . 36485 1 994 . 1 . 1 99 99 ALA CA C 13 55.158 0.050 . 1 . . . . A 93 ALA CA . 36485 1 995 . 1 . 1 99 99 ALA CB C 13 17.762 0.090 . 1 . . . . A 93 ALA CB . 36485 1 996 . 1 . 1 99 99 ALA N N 15 121.600 0.080 . 1 . . . . A 93 ALA N . 36485 1 997 . 1 . 1 100 100 LYS H H 1 7.735 0.004 . 1 . . . . A 94 LYS H . 36485 1 998 . 1 . 1 100 100 LYS HA H 1 3.870 0.005 . 1 . . . . A 94 LYS HA . 36485 1 999 . 1 . 1 100 100 LYS HB2 H 1 1.666 0.010 . 2 . . . . A 94 LYS HB2 . 36485 1 1000 . 1 . 1 100 100 LYS HB3 H 1 1.666 0.010 . 2 . . . . A 94 LYS HB3 . 36485 1 1001 . 1 . 1 100 100 LYS HG2 H 1 1.311 0.005 . 2 . . . . A 94 LYS HG2 . 36485 1 1002 . 1 . 1 100 100 LYS HG3 H 1 1.311 0.005 . 2 . . . . A 94 LYS HG3 . 36485 1 1003 . 1 . 1 100 100 LYS HD2 H 1 1.649 0.005 . 2 . . . . A 94 LYS HD2 . 36485 1 1004 . 1 . 1 100 100 LYS HD3 H 1 1.493 0.005 . 2 . . . . A 94 LYS HD3 . 36485 1 1005 . 1 . 1 100 100 LYS HE2 H 1 2.951 0.005 . 2 . . . . A 94 LYS HE2 . 36485 1 1006 . 1 . 1 100 100 LYS HE3 H 1 2.951 0.005 . 2 . . . . A 94 LYS HE3 . 36485 1 1007 . 1 . 1 100 100 LYS C C 13 177.646 0.000 . 1 . . . . A 94 LYS C . 36485 1 1008 . 1 . 1 100 100 LYS CA C 13 58.404 0.070 . 1 . . . . A 94 LYS CA . 36485 1 1009 . 1 . 1 100 100 LYS CB C 13 32.546 0.070 . 1 . . . . A 94 LYS CB . 36485 1 1010 . 1 . 1 100 100 LYS CG C 13 24.789 0.030 . 1 . . . . A 94 LYS CG . 36485 1 1011 . 1 . 1 100 100 LYS CD C 13 28.873 0.040 . 1 . . . . A 94 LYS CD . 36485 1 1012 . 1 . 1 100 100 LYS CE C 13 42.119 0.050 . 1 . . . . A 94 LYS CE . 36485 1 1013 . 1 . 1 100 100 LYS N N 15 120.068 0.090 . 1 . . . . A 94 LYS N . 36485 1 1014 . 1 . 1 101 101 ALA H H 1 7.938 0.003 . 1 . . . . A 95 ALA H . 36485 1 1015 . 1 . 1 101 101 ALA HA H 1 4.097 0.005 . 1 . . . . A 95 ALA HA . 36485 1 1016 . 1 . 1 101 101 ALA HB1 H 1 1.339 0.004 . 1 . . . . A 95 ALA HB1 . 36485 1 1017 . 1 . 1 101 101 ALA HB2 H 1 1.339 0.004 . 1 . . . . A 95 ALA HB2 . 36485 1 1018 . 1 . 1 101 101 ALA HB3 H 1 1.339 0.004 . 1 . . . . A 95 ALA HB3 . 36485 1 1019 . 1 . 1 101 101 ALA C C 13 179.831 0.000 . 1 . . . . A 95 ALA C . 36485 1 1020 . 1 . 1 101 101 ALA CA C 13 55.107 0.080 . 1 . . . . A 95 ALA CA . 36485 1 1021 . 1 . 1 101 101 ALA CB C 13 17.476 0.100 . 1 . . . . A 95 ALA CB . 36485 1 1022 . 1 . 1 101 101 ALA N N 15 121.760 0.080 . 1 . . . . A 95 ALA N . 36485 1 1023 . 1 . 1 102 102 LYS H H 1 8.141 0.004 . 1 . . . . A 96 LYS H . 36485 1 1024 . 1 . 1 102 102 LYS HA H 1 3.764 0.005 . 1 . . . . A 96 LYS HA . 36485 1 1025 . 1 . 1 102 102 LYS HB2 H 1 1.820 0.005 . 2 . . . . A 96 LYS HB2 . 36485 1 1026 . 1 . 1 102 102 LYS HB3 H 1 1.820 0.005 . 2 . . . . A 96 LYS HB3 . 36485 1 1027 . 1 . 1 102 102 LYS HG2 H 1 1.469 0.005 . 2 . . . . A 96 LYS HG2 . 36485 1 1028 . 1 . 1 102 102 LYS HG3 H 1 1.284 0.005 . 2 . . . . A 96 LYS HG3 . 36485 1 1029 . 1 . 1 102 102 LYS HD2 H 1 1.518 0.006 . 2 . . . . A 96 LYS HD2 . 36485 1 1030 . 1 . 1 102 102 LYS HD3 H 1 1.518 0.006 . 2 . . . . A 96 LYS HD3 . 36485 1 1031 . 1 . 1 102 102 LYS HE2 H 1 2.776 0.005 . 2 . . . . A 96 LYS HE2 . 36485 1 1032 . 1 . 1 102 102 LYS HE3 H 1 2.714 0.000 . 2 . . . . A 96 LYS HE3 . 36485 1 1033 . 1 . 1 102 102 LYS C C 13 180.832 0.000 . 1 . . . . A 96 LYS C . 36485 1 1034 . 1 . 1 102 102 LYS CA C 13 59.680 0.080 . 1 . . . . A 96 LYS CA . 36485 1 1035 . 1 . 1 102 102 LYS CB C 13 31.981 0.040 . 1 . . . . A 96 LYS CB . 36485 1 1036 . 1 . 1 102 102 LYS CG C 13 25.887 0.080 . 1 . . . . A 96 LYS CG . 36485 1 1037 . 1 . 1 102 102 LYS CD C 13 28.964 0.070 . 1 . . . . A 96 LYS CD . 36485 1 1038 . 1 . 1 102 102 LYS CE C 13 41.729 0.100 . 1 . . . . A 96 LYS CE . 36485 1 1039 . 1 . 1 102 102 LYS N N 15 117.396 0.090 . 1 . . . . A 96 LYS N . 36485 1 1040 . 1 . 1 103 103 THR H H 1 8.170 0.002 . 1 . . . . A 97 THR H . 36485 1 1041 . 1 . 1 103 103 THR HA H 1 3.738 0.004 . 1 . . . . A 97 THR HA . 36485 1 1042 . 1 . 1 103 103 THR HB H 1 4.108 0.003 . 1 . . . . A 97 THR HB . 36485 1 1043 . 1 . 1 103 103 THR HG21 H 1 1.120 0.005 . 1 . . . . A 97 THR HG21 . 36485 1 1044 . 1 . 1 103 103 THR HG22 H 1 1.120 0.005 . 1 . . . . A 97 THR HG22 . 36485 1 1045 . 1 . 1 103 103 THR HG23 H 1 1.120 0.005 . 1 . . . . A 97 THR HG23 . 36485 1 1046 . 1 . 1 103 103 THR C C 13 177.804 0.000 . 1 . . . . A 97 THR C . 36485 1 1047 . 1 . 1 103 103 THR CA C 13 66.879 0.100 . 1 . . . . A 97 THR CA . 36485 1 1048 . 1 . 1 103 103 THR CB C 13 68.334 0.090 . 1 . . . . A 97 THR CB . 36485 1 1049 . 1 . 1 103 103 THR CG2 C 13 21.724 0.100 . 1 . . . . A 97 THR CG2 . 36485 1 1050 . 1 . 1 103 103 THR N N 15 119.415 0.080 . 1 . . . . A 97 THR N . 36485 1 1051 . 1 . 1 104 104 ASP H H 1 9.227 0.005 . 1 . . . . A 98 ASP H . 36485 1 1052 . 1 . 1 104 104 ASP HA H 1 4.114 0.005 . 1 . . . . A 98 ASP HA . 36485 1 1053 . 1 . 1 104 104 ASP HB2 H 1 2.561 0.010 . 2 . . . . A 98 ASP HB2 . 36485 1 1054 . 1 . 1 104 104 ASP HB3 H 1 2.561 0.010 . 2 . . . . A 98 ASP HB3 . 36485 1 1055 . 1 . 1 104 104 ASP C C 13 178.564 0.000 . 1 . . . . A 98 ASP C . 36485 1 1056 . 1 . 1 104 104 ASP CA C 13 57.641 0.070 . 1 . . . . A 98 ASP CA . 36485 1 1057 . 1 . 1 104 104 ASP CB C 13 38.666 0.100 . 1 . . . . A 98 ASP CB . 36485 1 1058 . 1 . 1 104 104 ASP N N 15 125.337 0.070 . 1 . . . . A 98 ASP N . 36485 1 1059 . 1 . 1 105 105 SER H H 1 8.100 0.004 . 1 . . . . A 99 SER H . 36485 1 1060 . 1 . 1 105 105 SER HA H 1 4.545 0.005 . 1 . . . . A 99 SER HA . 36485 1 1061 . 1 . 1 105 105 SER HB2 H 1 3.775 0.006 . 2 . . . . A 99 SER HB2 . 36485 1 1062 . 1 . 1 105 105 SER HB3 H 1 3.775 0.006 . 2 . . . . A 99 SER HB3 . 36485 1 1063 . 1 . 1 105 105 SER C C 13 174.326 0.000 . 1 . . . . A 99 SER C . 36485 1 1064 . 1 . 1 105 105 SER CA C 13 61.551 0.090 . 1 . . . . A 99 SER CA . 36485 1 1065 . 1 . 1 105 105 SER CB C 13 62.523 0.100 . 1 . . . . A 99 SER CB . 36485 1 1066 . 1 . 1 105 105 SER N N 15 112.840 0.090 . 1 . . . . A 99 SER N . 36485 1 1067 . 1 . 1 106 106 GLY H H 1 7.328 0.005 . 1 . . . . A 100 GLY H . 36485 1 1068 . 1 . 1 106 106 GLY HA2 H 1 4.351 0.006 . 2 . . . . A 100 GLY HA2 . 36485 1 1069 . 1 . 1 106 106 GLY HA3 H 1 3.632 0.006 . 2 . . . . A 100 GLY HA3 . 36485 1 1070 . 1 . 1 106 106 GLY C C 13 174.104 0.000 . 1 . . . . A 100 GLY C . 36485 1 1071 . 1 . 1 106 106 GLY CA C 13 44.545 0.100 . 1 . . . . A 100 GLY CA . 36485 1 1072 . 1 . 1 106 106 GLY N N 15 108.410 0.100 . 1 . . . . A 100 GLY N . 36485 1 1073 . 1 . 1 107 107 SER H H 1 7.583 0.004 . 1 . . . . A 101 SER H . 36485 1 1074 . 1 . 1 107 107 SER HA H 1 4.042 0.005 . 1 . . . . A 101 SER HA . 36485 1 1075 . 1 . 1 107 107 SER HB2 H 1 4.126 0.005 . 2 . . . . A 101 SER HB2 . 36485 1 1076 . 1 . 1 107 107 SER HB3 H 1 3.637 0.005 . 2 . . . . A 101 SER HB3 . 36485 1 1077 . 1 . 1 107 107 SER C C 13 175.411 0.000 . 1 . . . . A 101 SER C . 36485 1 1078 . 1 . 1 107 107 SER CA C 13 58.858 0.100 . 1 . . . . A 101 SER CA . 36485 1 1079 . 1 . 1 107 107 SER CB C 13 63.885 0.100 . 1 . . . . A 101 SER CB . 36485 1 1080 . 1 . 1 107 107 SER N N 15 115.102 0.080 . 1 . . . . A 101 SER N . 36485 1 1081 . 1 . 1 108 108 GLU H H 1 8.724 0.005 . 1 . . . . A 102 GLU H . 36485 1 1082 . 1 . 1 108 108 GLU HA H 1 4.100 0.005 . 1 . . . . A 102 GLU HA . 36485 1 1083 . 1 . 1 108 108 GLU HB2 H 1 2.067 0.005 . 2 . . . . A 102 GLU HB2 . 36485 1 1084 . 1 . 1 108 108 GLU HB3 H 1 1.873 0.005 . 2 . . . . A 102 GLU HB3 . 36485 1 1085 . 1 . 1 108 108 GLU HG2 H 1 2.281 0.003 . 2 . . . . A 102 GLU HG2 . 36485 1 1086 . 1 . 1 108 108 GLU HG3 H 1 2.216 0.005 . 2 . . . . A 102 GLU HG3 . 36485 1 1087 . 1 . 1 108 108 GLU C C 13 176.565 0.000 . 1 . . . . A 102 GLU C . 36485 1 1088 . 1 . 1 108 108 GLU CA C 13 57.347 0.070 . 1 . . . . A 102 GLU CA . 36485 1 1089 . 1 . 1 108 108 GLU CB C 13 29.473 0.050 . 1 . . . . A 102 GLU CB . 36485 1 1090 . 1 . 1 108 108 GLU CG C 13 36.471 0.030 . 1 . . . . A 102 GLU CG . 36485 1 1091 . 1 . 1 108 108 GLU N N 15 125.151 0.100 . 1 . . . . A 102 GLU N . 36485 1 1092 . 1 . 1 109 109 ASP H H 1 8.721 0.004 . 1 . . . . A 103 ASP H . 36485 1 1093 . 1 . 1 109 109 ASP HA H 1 4.825 0.006 . 1 . . . . A 103 ASP HA . 36485 1 1094 . 1 . 1 109 109 ASP HB2 H 1 2.965 0.005 . 2 . . . . A 103 ASP HB2 . 36485 1 1095 . 1 . 1 109 109 ASP HB3 H 1 2.410 0.005 . 2 . . . . A 103 ASP HB3 . 36485 1 1096 . 1 . 1 109 109 ASP CA C 13 50.713 0.050 . 1 . . . . A 103 ASP CA . 36485 1 1097 . 1 . 1 109 109 ASP CB C 13 41.331 0.100 . 1 . . . . A 103 ASP CB . 36485 1 1098 . 1 . 1 109 109 ASP N N 15 124.189 0.090 . 1 . . . . A 103 ASP N . 36485 1 1099 . 1 . 1 110 110 PRO HA H 1 4.296 0.005 . 1 . . . . A 104 PRO HA . 36485 1 1100 . 1 . 1 110 110 PRO HB2 H 1 2.286 0.005 . 2 . . . . A 104 PRO HB2 . 36485 1 1101 . 1 . 1 110 110 PRO HB3 H 1 1.932 0.005 . 2 . . . . A 104 PRO HB3 . 36485 1 1102 . 1 . 1 110 110 PRO HG2 H 1 1.992 0.003 . 2 . . . . A 104 PRO HG2 . 36485 1 1103 . 1 . 1 110 110 PRO HG3 H 1 1.992 0.003 . 2 . . . . A 104 PRO HG3 . 36485 1 1104 . 1 . 1 110 110 PRO HD2 H 1 4.097 0.003 . 2 . . . . A 104 PRO HD2 . 36485 1 1105 . 1 . 1 110 110 PRO HD3 H 1 3.839 0.005 . 2 . . . . A 104 PRO HD3 . 36485 1 1106 . 1 . 1 110 110 PRO C C 13 180.007 0.000 . 1 . . . . A 104 PRO C . 36485 1 1107 . 1 . 1 110 110 PRO CA C 13 64.441 0.040 . 1 . . . . A 104 PRO CA . 36485 1 1108 . 1 . 1 110 110 PRO CB C 13 32.181 0.100 . 1 . . . . A 104 PRO CB . 36485 1 1109 . 1 . 1 110 110 PRO CG C 13 27.244 0.030 . 1 . . . . A 104 PRO CG . 36485 1 1110 . 1 . 1 110 110 PRO CD C 13 51.026 0.080 . 1 . . . . A 104 PRO CD . 36485 1 1111 . 1 . 1 111 111 ARG H H 1 8.163 0.004 . 1 . . . . A 105 ARG H . 36485 1 1112 . 1 . 1 111 111 ARG HA H 1 4.048 0.005 . 1 . . . . A 105 ARG HA . 36485 1 1113 . 1 . 1 111 111 ARG HB2 H 1 1.810 0.005 . 2 . . . . A 105 ARG HB2 . 36485 1 1114 . 1 . 1 111 111 ARG HB3 H 1 1.810 0.005 . 2 . . . . A 105 ARG HB3 . 36485 1 1115 . 1 . 1 111 111 ARG HG2 H 1 1.605 0.004 . 2 . . . . A 105 ARG HG2 . 36485 1 1116 . 1 . 1 111 111 ARG HG3 H 1 1.423 0.005 . 2 . . . . A 105 ARG HG3 . 36485 1 1117 . 1 . 1 111 111 ARG HD2 H 1 3.143 0.005 . 2 . . . . A 105 ARG HD2 . 36485 1 1118 . 1 . 1 111 111 ARG HD3 H 1 3.123 0.005 . 2 . . . . A 105 ARG HD3 . 36485 1 1119 . 1 . 1 111 111 ARG C C 13 179.075 0.000 . 1 . . . . A 105 ARG C . 36485 1 1120 . 1 . 1 111 111 ARG CA C 13 58.970 0.090 . 1 . . . . A 105 ARG CA . 36485 1 1121 . 1 . 1 111 111 ARG CB C 13 29.804 0.060 . 1 . . . . A 105 ARG CB . 36485 1 1122 . 1 . 1 111 111 ARG CG C 13 27.266 0.050 . 1 . . . . A 105 ARG CG . 36485 1 1123 . 1 . 1 111 111 ARG CD C 13 42.924 0.080 . 1 . . . . A 105 ARG CD . 36485 1 1124 . 1 . 1 111 111 ARG N N 15 119.872 0.080 . 1 . . . . A 105 ARG N . 36485 1 1125 . 1 . 1 112 112 VAL H H 1 7.081 0.004 . 1 . . . . A 106 VAL H . 36485 1 1126 . 1 . 1 112 112 VAL HA H 1 3.441 0.005 . 1 . . . . A 106 VAL HA . 36485 1 1127 . 1 . 1 112 112 VAL HB H 1 2.136 0.005 . 1 . . . . A 106 VAL HB . 36485 1 1128 . 1 . 1 112 112 VAL HG11 H 1 0.899 0.004 . 2 . . . . A 106 VAL HG11 . 36485 1 1129 . 1 . 1 112 112 VAL HG12 H 1 0.899 0.004 . 2 . . . . A 106 VAL HG12 . 36485 1 1130 . 1 . 1 112 112 VAL HG13 H 1 0.899 0.004 . 2 . . . . A 106 VAL HG13 . 36485 1 1131 . 1 . 1 112 112 VAL HG21 H 1 0.823 0.005 . 2 . . . . A 106 VAL HG21 . 36485 1 1132 . 1 . 1 112 112 VAL HG22 H 1 0.823 0.005 . 2 . . . . A 106 VAL HG22 . 36485 1 1133 . 1 . 1 112 112 VAL HG23 H 1 0.823 0.005 . 2 . . . . A 106 VAL HG23 . 36485 1 1134 . 1 . 1 112 112 VAL C C 13 177.971 0.000 . 1 . . . . A 106 VAL C . 36485 1 1135 . 1 . 1 112 112 VAL CA C 13 65.662 0.040 . 1 . . . . A 106 VAL CA . 36485 1 1136 . 1 . 1 112 112 VAL CB C 13 32.257 0.060 . 1 . . . . A 106 VAL CB . 36485 1 1137 . 1 . 1 112 112 VAL CG1 C 13 21.231 0.100 . 2 . . . . A 106 VAL CG1 . 36485 1 1138 . 1 . 1 112 112 VAL CG2 C 13 22.106 0.040 . 2 . . . . A 106 VAL CG2 . 36485 1 1139 . 1 . 1 112 112 VAL N N 15 123.446 0.060 . 1 . . . . A 106 VAL N . 36485 1 1140 . 1 . 1 113 113 ALA H H 1 8.450 0.003 . 1 . . . . A 107 ALA H . 36485 1 1141 . 1 . 1 113 113 ALA HA H 1 4.613 0.005 . 1 . . . . A 107 ALA HA . 36485 1 1142 . 1 . 1 113 113 ALA HB1 H 1 1.325 0.004 . 1 . . . . A 107 ALA HB1 . 36485 1 1143 . 1 . 1 113 113 ALA HB2 H 1 1.325 0.004 . 1 . . . . A 107 ALA HB2 . 36485 1 1144 . 1 . 1 113 113 ALA HB3 H 1 1.325 0.004 . 1 . . . . A 107 ALA HB3 . 36485 1 1145 . 1 . 1 113 113 ALA C C 13 180.567 0.000 . 1 . . . . A 107 ALA C . 36485 1 1146 . 1 . 1 113 113 ALA CA C 13 54.183 0.080 . 1 . . . . A 107 ALA CA . 36485 1 1147 . 1 . 1 113 113 ALA CB C 13 17.732 0.060 . 1 . . . . A 107 ALA CB . 36485 1 1148 . 1 . 1 113 113 ALA N N 15 121.995 0.080 . 1 . . . . A 107 ALA N . 36485 1 1149 . 1 . 1 114 114 ALA H H 1 7.534 0.005 . 1 . . . . A 108 ALA H . 36485 1 1150 . 1 . 1 114 114 ALA HA H 1 3.772 0.005 . 1 . . . . A 108 ALA HA . 36485 1 1151 . 1 . 1 114 114 ALA HB1 H 1 1.315 0.005 . 1 . . . . A 108 ALA HB1 . 36485 1 1152 . 1 . 1 114 114 ALA HB2 H 1 1.315 0.005 . 1 . . . . A 108 ALA HB2 . 36485 1 1153 . 1 . 1 114 114 ALA HB3 H 1 1.315 0.005 . 1 . . . . A 108 ALA HB3 . 36485 1 1154 . 1 . 1 114 114 ALA C C 13 178.673 0.000 . 1 . . . . A 108 ALA C . 36485 1 1155 . 1 . 1 114 114 ALA CA C 13 55.379 0.090 . 1 . . . . A 108 ALA CA . 36485 1 1156 . 1 . 1 114 114 ALA CB C 13 17.684 0.070 . 1 . . . . A 108 ALA CB . 36485 1 1157 . 1 . 1 114 114 ALA N N 15 118.637 0.100 . 1 . . . . A 108 ALA N . 36485 1 1158 . 1 . 1 115 115 GLN H H 1 7.414 0.005 . 1 . . . . A 109 GLN H . 36485 1 1159 . 1 . 1 115 115 GLN HA H 1 3.974 0.005 . 1 . . . . A 109 GLN HA . 36485 1 1160 . 1 . 1 115 115 GLN HB2 H 1 2.327 0.005 . 2 . . . . A 109 GLN HB2 . 36485 1 1161 . 1 . 1 115 115 GLN HB3 H 1 1.895 0.005 . 2 . . . . A 109 GLN HB3 . 36485 1 1162 . 1 . 1 115 115 GLN HG2 H 1 2.557 0.005 . 2 . . . . A 109 GLN HG2 . 36485 1 1163 . 1 . 1 115 115 GLN HG3 H 1 2.315 0.005 . 2 . . . . A 109 GLN HG3 . 36485 1 1164 . 1 . 1 115 115 GLN C C 13 181.308 0.000 . 1 . . . . A 109 GLN C . 36485 1 1165 . 1 . 1 115 115 GLN CA C 13 58.754 0.090 . 1 . . . . A 109 GLN CA . 36485 1 1166 . 1 . 1 115 115 GLN CB C 13 27.758 0.050 . 1 . . . . A 109 GLN CB . 36485 1 1167 . 1 . 1 115 115 GLN CG C 13 33.574 0.060 . 1 . . . . A 109 GLN CG . 36485 1 1168 . 1 . 1 115 115 GLN N N 15 118.103 0.090 . 1 . . . . A 109 GLN N . 36485 1 1169 . 1 . 1 116 116 GLY H H 1 8.353 0.005 . 1 . . . . A 110 GLY H . 36485 1 1170 . 1 . 1 116 116 GLY HA2 H 1 3.946 0.005 . 2 . . . . A 110 GLY HA2 . 36485 1 1171 . 1 . 1 116 116 GLY HA3 H 1 3.564 0.005 . 2 . . . . A 110 GLY HA3 . 36485 1 1172 . 1 . 1 116 116 GLY C C 13 175.400 0.000 . 1 . . . . A 110 GLY C . 36485 1 1173 . 1 . 1 116 116 GLY CA C 13 48.146 0.080 . 1 . . . . A 110 GLY CA . 36485 1 1174 . 1 . 1 116 116 GLY N N 15 108.269 0.090 . 1 . . . . A 110 GLY N . 36485 1 1175 . 1 . 1 117 117 ARG H H 1 8.658 0.005 . 1 . . . . A 111 ARG H . 36485 1 1176 . 1 . 1 117 117 ARG HA H 1 3.832 0.005 . 1 . . . . A 111 ARG HA . 36485 1 1177 . 1 . 1 117 117 ARG HB2 H 1 2.135 0.005 . 2 . . . . A 111 ARG HB2 . 36485 1 1178 . 1 . 1 117 117 ARG HB3 H 1 2.114 0.005 . 2 . . . . A 111 ARG HB3 . 36485 1 1179 . 1 . 1 117 117 ARG HG2 H 1 1.657 0.005 . 2 . . . . A 111 ARG HG2 . 36485 1 1180 . 1 . 1 117 117 ARG HG3 H 1 1.264 0.005 . 2 . . . . A 111 ARG HG3 . 36485 1 1181 . 1 . 1 117 117 ARG HD2 H 1 3.439 0.004 . 2 . . . . A 111 ARG HD2 . 36485 1 1182 . 1 . 1 117 117 ARG HD3 H 1 3.044 0.005 . 2 . . . . A 111 ARG HD3 . 36485 1 1183 . 1 . 1 117 117 ARG C C 13 179.828 0.000 . 1 . . . . A 111 ARG C . 36485 1 1184 . 1 . 1 117 117 ARG CA C 13 61.007 0.070 . 1 . . . . A 111 ARG CA . 36485 1 1185 . 1 . 1 117 117 ARG CB C 13 32.160 0.030 . 1 . . . . A 111 ARG CB . 36485 1 1186 . 1 . 1 117 117 ARG CD C 13 43.452 0.020 . 1 . . . . A 111 ARG CD . 36485 1 1187 . 1 . 1 117 117 ARG N N 15 120.634 0.100 . 1 . . . . A 111 ARG N . 36485 1 1188 . 1 . 1 118 118 ALA H H 1 8.893 0.005 . 1 . . . . A 112 ALA H . 36485 1 1189 . 1 . 1 118 118 ALA HA H 1 3.933 0.005 . 1 . . . . A 112 ALA HA . 36485 1 1190 . 1 . 1 118 118 ALA HB1 H 1 1.395 0.003 . 1 . . . . A 112 ALA HB1 . 36485 1 1191 . 1 . 1 118 118 ALA HB2 H 1 1.395 0.003 . 1 . . . . A 112 ALA HB2 . 36485 1 1192 . 1 . 1 118 118 ALA HB3 H 1 1.395 0.003 . 1 . . . . A 112 ALA HB3 . 36485 1 1193 . 1 . 1 118 118 ALA C C 13 179.756 0.000 . 1 . . . . A 112 ALA C . 36485 1 1194 . 1 . 1 118 118 ALA CA C 13 55.290 0.100 . 1 . . . . A 112 ALA CA . 36485 1 1195 . 1 . 1 118 118 ALA CB C 13 18.474 0.070 . 1 . . . . A 112 ALA CB . 36485 1 1196 . 1 . 1 118 118 ALA N N 15 124.180 0.070 . 1 . . . . A 112 ALA N . 36485 1 1197 . 1 . 1 119 119 ARG H H 1 7.260 0.005 . 1 . . . . A 113 ARG H . 36485 1 1198 . 1 . 1 119 119 ARG HA H 1 3.793 0.004 . 1 . . . . A 113 ARG HA . 36485 1 1199 . 1 . 1 119 119 ARG HB2 H 1 1.729 0.001 . 2 . . . . A 113 ARG HB2 . 36485 1 1200 . 1 . 1 119 119 ARG HB3 H 1 1.633 0.005 . 2 . . . . A 113 ARG HB3 . 36485 1 1201 . 1 . 1 119 119 ARG HD2 H 1 3.059 0.006 . 2 . . . . A 113 ARG HD2 . 36485 1 1202 . 1 . 1 119 119 ARG HD3 H 1 3.059 0.006 . 2 . . . . A 113 ARG HD3 . 36485 1 1203 . 1 . 1 119 119 ARG C C 13 178.007 0.000 . 1 . . . . A 113 ARG C . 36485 1 1204 . 1 . 1 119 119 ARG CA C 13 59.504 0.050 . 1 . . . . A 113 ARG CA . 36485 1 1205 . 1 . 1 119 119 ARG N N 15 116.129 0.080 . 1 . . . . A 113 ARG N . 36485 1 1206 . 1 . 1 120 120 LEU H H 1 8.452 0.005 . 1 . . . . A 114 LEU H . 36485 1 1207 . 1 . 1 120 120 LEU HA H 1 3.939 0.005 . 1 . . . . A 114 LEU HA . 36485 1 1208 . 1 . 1 120 120 LEU HB2 H 1 1.804 0.005 . 2 . . . . A 114 LEU HB2 . 36485 1 1209 . 1 . 1 120 120 LEU HB3 H 1 1.248 0.003 . 2 . . . . A 114 LEU HB3 . 36485 1 1210 . 1 . 1 120 120 LEU HG H 1 1.670 0.003 . 1 . . . . A 114 LEU HG . 36485 1 1211 . 1 . 1 120 120 LEU HD11 H 1 0.703 0.005 . 2 . . . . A 114 LEU HD11 . 36485 1 1212 . 1 . 1 120 120 LEU HD12 H 1 0.703 0.005 . 2 . . . . A 114 LEU HD12 . 36485 1 1213 . 1 . 1 120 120 LEU HD13 H 1 0.703 0.005 . 2 . . . . A 114 LEU HD13 . 36485 1 1214 . 1 . 1 120 120 LEU HD21 H 1 0.644 0.005 . 2 . . . . A 114 LEU HD21 . 36485 1 1215 . 1 . 1 120 120 LEU HD22 H 1 0.644 0.005 . 2 . . . . A 114 LEU HD22 . 36485 1 1216 . 1 . 1 120 120 LEU HD23 H 1 0.644 0.005 . 2 . . . . A 114 LEU HD23 . 36485 1 1217 . 1 . 1 120 120 LEU C C 13 180.950 0.000 . 1 . . . . A 114 LEU C . 36485 1 1218 . 1 . 1 120 120 LEU CA C 13 58.100 0.040 . 1 . . . . A 114 LEU CA . 36485 1 1219 . 1 . 1 120 120 LEU CB C 13 40.511 0.100 . 1 . . . . A 114 LEU CB . 36485 1 1220 . 1 . 1 120 120 LEU CG C 13 26.347 0.020 . 1 . . . . A 114 LEU CG . 36485 1 1221 . 1 . 1 120 120 LEU CD1 C 13 25.849 0.070 . 2 . . . . A 114 LEU CD1 . 36485 1 1222 . 1 . 1 120 120 LEU CD2 C 13 22.056 0.060 . 2 . . . . A 114 LEU CD2 . 36485 1 1223 . 1 . 1 120 120 LEU N N 15 120.646 0.070 . 1 . . . . A 114 LEU N . 36485 1 1224 . 1 . 1 121 121 ARG H H 1 8.303 0.005 . 1 . . . . A 115 ARG H . 36485 1 1225 . 1 . 1 121 121 ARG HA H 1 3.772 0.005 . 1 . . . . A 115 ARG HA . 36485 1 1226 . 1 . 1 121 121 ARG HB2 H 1 1.999 0.005 . 2 . . . . A 115 ARG HB2 . 36485 1 1227 . 1 . 1 121 121 ARG HB3 H 1 1.999 0.005 . 2 . . . . A 115 ARG HB3 . 36485 1 1228 . 1 . 1 121 121 ARG HG2 H 1 1.715 0.005 . 2 . . . . A 115 ARG HG2 . 36485 1 1229 . 1 . 1 121 121 ARG HG3 H 1 1.460 0.005 . 2 . . . . A 115 ARG HG3 . 36485 1 1230 . 1 . 1 121 121 ARG HD2 H 1 3.278 0.005 . 2 . . . . A 115 ARG HD2 . 36485 1 1231 . 1 . 1 121 121 ARG HD3 H 1 3.169 0.005 . 2 . . . . A 115 ARG HD3 . 36485 1 1232 . 1 . 1 121 121 ARG C C 13 178.212 0.000 . 1 . . . . A 115 ARG C . 36485 1 1233 . 1 . 1 121 121 ARG CA C 13 60.323 0.090 . 1 . . . . A 115 ARG CA . 36485 1 1234 . 1 . 1 121 121 ARG CB C 13 30.263 0.090 . 1 . . . . A 115 ARG CB . 36485 1 1235 . 1 . 1 121 121 ARG CG C 13 28.784 0.040 . 1 . . . . A 115 ARG CG . 36485 1 1236 . 1 . 1 121 121 ARG CD C 13 44.006 0.040 . 1 . . . . A 115 ARG CD . 36485 1 1237 . 1 . 1 121 121 ARG N N 15 122.507 0.070 . 1 . . . . A 115 ARG N . 36485 1 1238 . 1 . 1 122 122 ALA H H 1 7.754 0.004 . 1 . . . . A 116 ALA H . 36485 1 1239 . 1 . 1 122 122 ALA HA H 1 3.766 0.004 . 1 . . . . A 116 ALA HA . 36485 1 1240 . 1 . 1 122 122 ALA HB1 H 1 1.196 0.005 . 1 . . . . A 116 ALA HB1 . 36485 1 1241 . 1 . 1 122 122 ALA HB2 H 1 1.196 0.005 . 1 . . . . A 116 ALA HB2 . 36485 1 1242 . 1 . 1 122 122 ALA HB3 H 1 1.196 0.005 . 1 . . . . A 116 ALA HB3 . 36485 1 1243 . 1 . 1 122 122 ALA CA C 13 54.951 0.080 . 1 . . . . A 116 ALA CA . 36485 1 1244 . 1 . 1 122 122 ALA CB C 13 17.728 0.090 . 1 . . . . A 116 ALA CB . 36485 1 1245 . 1 . 1 122 122 ALA N N 15 119.329 0.070 . 1 . . . . A 116 ALA N . 36485 1 1246 . 1 . 1 123 123 LEU HA H 1 3.604 0.005 . 1 . . . . A 117 LEU HA . 36485 1 1247 . 1 . 1 123 123 LEU HB2 H 1 1.654 0.005 . 2 . . . . A 117 LEU HB2 . 36485 1 1248 . 1 . 1 123 123 LEU HB3 H 1 1.350 0.005 . 2 . . . . A 117 LEU HB3 . 36485 1 1249 . 1 . 1 123 123 LEU HG H 1 1.604 0.004 . 1 . . . . A 117 LEU HG . 36485 1 1250 . 1 . 1 123 123 LEU HD11 H 1 0.637 0.005 . 2 . . . . A 117 LEU HD11 . 36485 1 1251 . 1 . 1 123 123 LEU HD12 H 1 0.637 0.005 . 2 . . . . A 117 LEU HD12 . 36485 1 1252 . 1 . 1 123 123 LEU HD13 H 1 0.637 0.005 . 2 . . . . A 117 LEU HD13 . 36485 1 1253 . 1 . 1 123 123 LEU HD21 H 1 0.665 0.005 . 2 . . . . A 117 LEU HD21 . 36485 1 1254 . 1 . 1 123 123 LEU HD22 H 1 0.665 0.005 . 2 . . . . A 117 LEU HD22 . 36485 1 1255 . 1 . 1 123 123 LEU HD23 H 1 0.665 0.005 . 2 . . . . A 117 LEU HD23 . 36485 1 1256 . 1 . 1 123 123 LEU C C 13 179.275 0.000 . 1 . . . . A 117 LEU C . 36485 1 1257 . 1 . 1 123 123 LEU CA C 13 57.613 0.070 . 1 . . . . A 117 LEU CA . 36485 1 1258 . 1 . 1 123 123 LEU CB C 13 42.028 0.080 . 1 . . . . A 117 LEU CB . 36485 1 1259 . 1 . 1 123 123 LEU CG C 13 26.362 0.070 . 1 . . . . A 117 LEU CG . 36485 1 1260 . 1 . 1 123 123 LEU CD1 C 13 25.520 0.050 . 2 . . . . A 117 LEU CD1 . 36485 1 1261 . 1 . 1 123 123 LEU CD2 C 13 23.105 0.050 . 2 . . . . A 117 LEU CD2 . 36485 1 1262 . 1 . 1 124 124 GLY H H 1 7.712 0.002 . 1 . . . . A 118 GLY H . 36485 1 1263 . 1 . 1 124 124 GLY HA2 H 1 3.739 0.005 . 2 . . . . A 118 GLY HA2 . 36485 1 1264 . 1 . 1 124 124 GLY HA3 H 1 3.447 0.005 . 2 . . . . A 118 GLY HA3 . 36485 1 1265 . 1 . 1 124 124 GLY C C 13 172.320 0.000 . 1 . . . . A 118 GLY C . 36485 1 1266 . 1 . 1 124 124 GLY CA C 13 44.975 0.100 . 1 . . . . A 118 GLY CA . 36485 1 1267 . 1 . 1 124 124 GLY N N 15 105.812 0.050 . 1 . . . . A 118 GLY N . 36485 1 1268 . 1 . 1 125 125 GLN H H 1 7.081 0.005 . 1 . . . . A 119 GLN H . 36485 1 1269 . 1 . 1 125 125 GLN HA H 1 4.645 0.005 . 1 . . . . A 119 GLN HA . 36485 1 1270 . 1 . 1 125 125 GLN HB2 H 1 1.774 0.005 . 2 . . . . A 119 GLN HB2 . 36485 1 1271 . 1 . 1 125 125 GLN HB3 H 1 1.774 0.005 . 2 . . . . A 119 GLN HB3 . 36485 1 1272 . 1 . 1 125 125 GLN HG2 H 1 2.392 0.005 . 2 . . . . A 119 GLN HG2 . 36485 1 1273 . 1 . 1 125 125 GLN HG3 H 1 2.304 0.001 . 2 . . . . A 119 GLN HG3 . 36485 1 1274 . 1 . 1 125 125 GLN HE21 H 1 7.497 0.004 . 2 . . . . A 119 GLN HE21 . 36485 1 1275 . 1 . 1 125 125 GLN HE22 H 1 6.521 0.003 . 2 . . . . A 119 GLN HE22 . 36485 1 1276 . 1 . 1 125 125 GLN CA C 13 55.884 0.040 . 1 . . . . A 119 GLN CA . 36485 1 1277 . 1 . 1 125 125 GLN CB C 13 33.541 0.100 . 1 . . . . A 119 GLN CB . 36485 1 1278 . 1 . 1 125 125 GLN CG C 13 34.641 0.080 . 1 . . . . A 119 GLN CG . 36485 1 1279 . 1 . 1 125 125 GLN N N 15 116.314 0.074 . 1 . . . . A 119 GLN N . 36485 1 1280 . 1 . 1 125 125 GLN NE2 N 15 113.215 0.100 . 1 . . . . A 119 GLN NE2 . 36485 1 1281 . 1 . 1 126 126 THR HA H 1 4.519 0.005 . 1 . . . . A 120 THR HA . 36485 1 1282 . 1 . 1 126 126 THR HB H 1 3.882 0.004 . 1 . . . . A 120 THR HB . 36485 1 1283 . 1 . 1 126 126 THR HG21 H 1 0.979 0.004 . 1 . . . . A 120 THR HG21 . 36485 1 1284 . 1 . 1 126 126 THR HG22 H 1 0.979 0.004 . 1 . . . . A 120 THR HG22 . 36485 1 1285 . 1 . 1 126 126 THR HG23 H 1 0.979 0.004 . 1 . . . . A 120 THR HG23 . 36485 1 1286 . 1 . 1 126 126 THR C C 13 172.125 0.000 . 1 . . . . A 120 THR C . 36485 1 1287 . 1 . 1 126 126 THR CA C 13 59.549 0.050 . 1 . . . . A 120 THR CA . 36485 1 1288 . 1 . 1 126 126 THR CB C 13 71.263 0.050 . 1 . . . . A 120 THR CB . 36485 1 1289 . 1 . 1 126 126 THR CG2 C 13 20.477 0.080 . 1 . . . . A 120 THR CG2 . 36485 1 1290 . 1 . 1 127 127 VAL H H 1 7.738 0.003 . 1 . . . . A 121 VAL H . 36485 1 1291 . 1 . 1 127 127 VAL HA H 1 4.024 0.005 . 1 . . . . A 121 VAL HA . 36485 1 1292 . 1 . 1 127 127 VAL HB H 1 1.684 0.004 . 1 . . . . A 121 VAL HB . 36485 1 1293 . 1 . 1 127 127 VAL HG11 H 1 0.437 0.003 . 2 . . . . A 121 VAL HG11 . 36485 1 1294 . 1 . 1 127 127 VAL HG12 H 1 0.437 0.003 . 2 . . . . A 121 VAL HG12 . 36485 1 1295 . 1 . 1 127 127 VAL HG13 H 1 0.437 0.003 . 2 . . . . A 121 VAL HG13 . 36485 1 1296 . 1 . 1 127 127 VAL HG21 H 1 0.502 0.003 . 2 . . . . A 121 VAL HG21 . 36485 1 1297 . 1 . 1 127 127 VAL HG22 H 1 0.502 0.003 . 2 . . . . A 121 VAL HG22 . 36485 1 1298 . 1 . 1 127 127 VAL HG23 H 1 0.502 0.003 . 2 . . . . A 121 VAL HG23 . 36485 1 1299 . 1 . 1 127 127 VAL CA C 13 63.641 0.070 . 1 . . . . A 121 VAL CA . 36485 1 1300 . 1 . 1 127 127 VAL CB C 13 33.099 0.060 . 1 . . . . A 121 VAL CB . 36485 1 1301 . 1 . 1 127 127 VAL CG1 C 13 22.107 0.090 . 2 . . . . A 121 VAL CG1 . 36485 1 1302 . 1 . 1 127 127 VAL CG2 C 13 21.732 0.080 . 2 . . . . A 121 VAL CG2 . 36485 1 1303 . 1 . 1 127 127 VAL N N 15 123.403 0.050 . 1 . . . . A 121 VAL N . 36485 1 stop_ save_