data_36756 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36756 _Entry.Title ; Response regulator RR468 binding with Mg2+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-30 _Entry.Accession_date 2025-04-30 _Entry.Last_release_date 2026-03-09 _Entry.Original_release_date 2026-03-09 _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 X. Liu X. H. . . 36756 2 Y. Liu Y. X. . . 36756 3 J. Chen J. W. . . 36756 4 L. Jiang L. . . . 36756 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacterial response regulator' . 36756 'Signaling protein' . 36756 'Two-component system' . 36756 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36756 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 36756 '15N chemical shifts' 114 36756 '1H chemical shifts' 738 36756 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 . . 2026-06-07 . original BMRB . 36756 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9URO 'BMRB Entry Tracking System' 36756 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36756 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Response regulator RR468 binding with Mg2+ ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Liu X. H. . . 36756 1 2 Y. Liu Y. X. . . 36756 1 3 J. Chen J. W. . . 36756 1 4 L. Jiang L. . . . 36756 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36756 _Assembly.ID 1 _Assembly.Name 'Response regulator' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _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 13872.561 _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 . . . . . . 36756 1 2 entity_MG 2 $entity_MG B A yes . . . . . . 36756 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' sing . 1 entity_1 1 ASP 9 9 OD2 . 2 entity_MG 2 MG 1 1 MG . . A 9 ASP OD2 . . A 201 MG MG 36756 1 2 'metal coordination' sing . 1 entity_1 1 ASP 10 10 OD1 . 2 entity_MG 2 MG 1 1 MG . . A 10 ASP OD1 . . A 201 MG MG 36756 1 3 'metal coordination' sing . 1 entity_1 1 ASP 53 53 OD2 . 2 entity_MG 2 MG 1 1 MG . . A 53 ASP OD2 . . A 201 MG MG 36756 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 1 MET . start . . 36756 1 . 1 1 10 ASP 10 . A 10 ASP . middle . . 36756 1 . 1 1 100 ARG 100 . A 100 ARG . middle . . 36756 1 . 1 1 101 LYS 101 . A 101 LYS . middle . . 36756 1 . 1 1 102 VAL 102 . A 102 VAL . middle . . 36756 1 . 1 1 103 MET 103 . A 103 MET . middle . . 36756 1 . 1 1 104 ARG 104 . A 104 ARG . middle . . 36756 1 . 1 1 105 LYS 105 . A 105 LYS . middle . . 36756 1 . 1 1 106 PRO 106 . A 106 PRO . middle no . 36756 1 . 1 1 107 PHE 107 . A 107 PHE . middle . . 36756 1 . 1 1 108 SER 108 . A 108 SER . middle . . 36756 1 . 1 1 109 PRO 109 . A 109 PRO . middle no . 36756 1 . 1 1 11 SER 11 . A 11 SER . middle . . 36756 1 . 1 1 110 SER 110 . A 110 SER . middle . . 36756 1 . 1 1 111 GLN 111 . A 111 GLN . middle . . 36756 1 . 1 1 112 PHE 112 . A 112 PHE . middle . . 36756 1 . 1 1 113 ILE 113 . A 113 ILE . middle . . 36756 1 . 1 1 114 GLU 114 . A 114 GLU . middle . . 36756 1 . 1 1 115 GLU 115 . A 115 GLU . middle . . 36756 1 . 1 1 116 VAL 116 . A 116 VAL . middle . . 36756 1 . 1 1 117 LYS 117 . A 117 LYS . middle . . 36756 1 . 1 1 118 HIS 118 . A 118 HIS . middle . . 36756 1 . 1 1 119 LEU 119 . A 119 LEU . middle . . 36756 1 . 1 1 12 ALA 12 . A 12 ALA . middle . . 36756 1 . 1 1 120 LEU 120 . A 120 LEU . middle . . 36756 1 . 1 1 121 ASN 121 . A 121 ASN . middle . . 36756 1 . 1 1 122 GLU 122 . A 122 GLU . end . . 36756 1 . 1 1 13 VAL 13 . A 13 VAL . middle . . 36756 1 . 1 1 14 LEU 14 . A 14 LEU . middle . . 36756 1 . 1 1 15 ARG 15 . A 15 ARG . middle . . 36756 1 . 1 1 16 LYS 16 . A 16 LYS . middle . . 36756 1 . 1 1 17 ILE 17 . A 17 ILE . middle . . 36756 1 . 1 1 18 VAL 18 . A 18 VAL . middle . . 36756 1 . 1 1 19 SER 19 . A 19 SER . middle . . 36756 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36756 1 . 1 1 20 PHE 20 . A 20 PHE . middle . . 36756 1 . 1 1 21 ASN 21 . A 21 ASN . middle . . 36756 1 . 1 1 22 LEU 22 . A 22 LEU . middle . . 36756 1 . 1 1 23 LYS 23 . A 23 LYS . middle . . 36756 1 . 1 1 24 LYS 24 . A 24 LYS . middle . . 36756 1 . 1 1 25 GLU 25 . A 25 GLU . middle . . 36756 1 . 1 1 26 GLY 26 . A 26 GLY . middle no . 36756 1 . 1 1 27 TYR 27 . A 27 TYR . middle . . 36756 1 . 1 1 28 GLU 28 . A 28 GLU . middle . . 36756 1 . 1 1 29 VAL 29 . A 29 VAL . middle . . 36756 1 . 1 1 3 LYS 3 . A 3 LYS . middle . . 36756 1 . 1 1 30 ILE 30 . A 30 ILE . middle . . 36756 1 . 1 1 31 GLU 31 . A 31 GLU . middle . . 36756 1 . 1 1 32 ALA 32 . A 32 ALA . middle . . 36756 1 . 1 1 33 GLU 33 . A 33 GLU . middle . . 36756 1 . 1 1 34 ASN 34 . A 34 ASN . middle . . 36756 1 . 1 1 35 GLY 35 . A 35 GLY . middle no . 36756 1 . 1 1 36 GLN 36 . A 36 GLN . middle . . 36756 1 . 1 1 37 ILE 37 . A 37 ILE . middle . . 36756 1 . 1 1 38 ALA 38 . A 38 ALA . middle . . 36756 1 . 1 1 39 LEU 39 . A 39 LEU . middle . . 36756 1 . 1 1 4 LYS 4 . A 4 LYS . middle . . 36756 1 . 1 1 40 GLU 40 . A 40 GLU . middle . . 36756 1 . 1 1 41 LYS 41 . A 41 LYS . middle . . 36756 1 . 1 1 42 LEU 42 . A 42 LEU . middle . . 36756 1 . 1 1 43 SER 43 . A 43 SER . middle . . 36756 1 . 1 1 44 GLU 44 . A 44 GLU . middle . . 36756 1 . 1 1 45 PHE 45 . A 45 PHE . middle . . 36756 1 . 1 1 46 THR 46 . A 46 THR . middle . . 36756 1 . 1 1 47 PRO 47 . A 47 PRO . middle no . 36756 1 . 1 1 48 ASP 48 . A 48 ASP . middle . . 36756 1 . 1 1 49 LEU 49 . A 49 LEU . middle . . 36756 1 . 1 1 5 VAL 5 . A 5 VAL . middle . . 36756 1 . 1 1 50 ILE 50 . A 50 ILE . middle . . 36756 1 . 1 1 51 VAL 51 . A 51 VAL . middle . . 36756 1 . 1 1 52 LEU 52 . A 52 LEU . middle . . 36756 1 . 1 1 53 ASP 53 . A 53 ASP . middle . . 36756 1 . 1 1 54 ILE 54 . A 54 ILE . middle . . 36756 1 . 1 1 55 MET 55 . A 55 MET . middle . . 36756 1 . 1 1 56 MET 56 . A 56 MET . middle . . 36756 1 . 1 1 57 PRO 57 . A 57 PRO . middle no . 36756 1 . 1 1 58 VAL 58 . A 58 VAL . middle . . 36756 1 . 1 1 59 MET 59 . A 59 MET . middle . . 36756 1 . 1 1 6 LEU 6 . A 6 LEU . middle . . 36756 1 . 1 1 60 ASP 60 . A 60 ASP . middle . . 36756 1 . 1 1 61 GLY 61 . A 61 GLY . middle no . 36756 1 . 1 1 62 PHE 62 . A 62 PHE . middle . . 36756 1 . 1 1 63 THR 63 . A 63 THR . middle . . 36756 1 . 1 1 64 VAL 64 . A 64 VAL . middle . . 36756 1 . 1 1 65 LEU 65 . A 65 LEU . middle . . 36756 1 . 1 1 66 LYS 66 . A 66 LYS . middle . . 36756 1 . 1 1 67 LYS 67 . A 67 LYS . middle . . 36756 1 . 1 1 68 LEU 68 . A 68 LEU . middle . . 36756 1 . 1 1 69 GLN 69 . A 69 GLN . middle . . 36756 1 . 1 1 7 LEU 7 . A 7 LEU . middle . . 36756 1 . 1 1 70 GLU 70 . A 70 GLU . middle . . 36756 1 . 1 1 71 LYS 71 . A 71 LYS . middle . . 36756 1 . 1 1 72 GLU 72 . A 72 GLU . middle . . 36756 1 . 1 1 73 GLU 73 . A 73 GLU . middle . . 36756 1 . 1 1 74 TRP 74 . A 74 TRP . middle . . 36756 1 . 1 1 75 LYS 75 . A 75 LYS . middle . . 36756 1 . 1 1 76 ARG 76 . A 76 ARG . middle . . 36756 1 . 1 1 77 ILE 77 . A 77 ILE . middle . . 36756 1 . 1 1 78 PRO 78 . A 78 PRO . middle no . 36756 1 . 1 1 79 VAL 79 . A 79 VAL . middle . . 36756 1 . 1 1 8 VAL 8 . A 8 VAL . middle . . 36756 1 . 1 1 80 ILE 80 . A 80 ILE . middle . . 36756 1 . 1 1 81 VAL 81 . A 81 VAL . middle . . 36756 1 . 1 1 82 LEU 82 . A 82 LEU . middle . . 36756 1 . 1 1 83 THR 83 . A 83 THR . middle . . 36756 1 . 1 1 84 ALA 84 . A 84 ALA . middle . . 36756 1 . 1 1 85 LYS 85 . A 85 LYS . middle . . 36756 1 . 1 1 86 GLY 86 . A 86 GLY . middle no . 36756 1 . 1 1 87 GLY 87 . A 87 GLY . middle no . 36756 1 . 1 1 88 GLU 88 . A 88 GLU . middle . . 36756 1 . 1 1 89 GLU 89 . A 89 GLU . middle . . 36756 1 . 1 1 9 ASP 9 . A 9 ASP . middle . . 36756 1 . 1 1 90 ASP 90 . A 90 ASP . middle . . 36756 1 . 1 1 91 GLU 91 . A 91 GLU . middle . . 36756 1 . 1 1 92 SER 92 . A 92 SER . middle . . 36756 1 . 1 1 93 LEU 93 . A 93 LEU . middle . . 36756 1 . 1 1 94 ALA 94 . A 94 ALA . middle . . 36756 1 . 1 1 95 LEU 95 . A 95 LEU . middle . . 36756 1 . 1 1 96 SER 96 . A 96 SER . middle . . 36756 1 . 1 1 97 LEU 97 . A 97 LEU . middle . . 36756 1 . 1 1 98 GLY 98 . A 98 GLY . middle no . 36756 1 . 1 1 99 ALA 99 . A 99 ALA . middle . . 36756 1 . 2 2 1 MG 1 . A 201 MG . . . . 36756 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36756 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Response regulator' _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 ; MSKKVLLVDDSAVLRKIVSF NLKKEGYEVIEAENGQIALE KLSEFTPDLIVLDIMMPVMD GFTVLKKLQEKEEWKRIPVI VLTAKGGEEDESLALSLGAR KVMRKPFSPSQFIEEVKHLL NE ; _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 122 _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 13848.256 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36756 1 2 2 SER . 36756 1 3 3 LYS . 36756 1 4 4 LYS . 36756 1 5 5 VAL . 36756 1 6 6 LEU . 36756 1 7 7 LEU . 36756 1 8 8 VAL . 36756 1 9 9 ASP . 36756 1 10 10 ASP . 36756 1 11 11 SER . 36756 1 12 12 ALA . 36756 1 13 13 VAL . 36756 1 14 14 LEU . 36756 1 15 15 ARG . 36756 1 16 16 LYS . 36756 1 17 17 ILE . 36756 1 18 18 VAL . 36756 1 19 19 SER . 36756 1 20 20 PHE . 36756 1 21 21 ASN . 36756 1 22 22 LEU . 36756 1 23 23 LYS . 36756 1 24 24 LYS . 36756 1 25 25 GLU . 36756 1 26 26 GLY . 36756 1 27 27 TYR . 36756 1 28 28 GLU . 36756 1 29 29 VAL . 36756 1 30 30 ILE . 36756 1 31 31 GLU . 36756 1 32 32 ALA . 36756 1 33 33 GLU . 36756 1 34 34 ASN . 36756 1 35 35 GLY . 36756 1 36 36 GLN . 36756 1 37 37 ILE . 36756 1 38 38 ALA . 36756 1 39 39 LEU . 36756 1 40 40 GLU . 36756 1 41 41 LYS . 36756 1 42 42 LEU . 36756 1 43 43 SER . 36756 1 44 44 GLU . 36756 1 45 45 PHE . 36756 1 46 46 THR . 36756 1 47 47 PRO . 36756 1 48 48 ASP . 36756 1 49 49 LEU . 36756 1 50 50 ILE . 36756 1 51 51 VAL . 36756 1 52 52 LEU . 36756 1 53 53 ASP . 36756 1 54 54 ILE . 36756 1 55 55 MET . 36756 1 56 56 MET . 36756 1 57 57 PRO . 36756 1 58 58 VAL . 36756 1 59 59 MET . 36756 1 60 60 ASP . 36756 1 61 61 GLY . 36756 1 62 62 PHE . 36756 1 63 63 THR . 36756 1 64 64 VAL . 36756 1 65 65 LEU . 36756 1 66 66 LYS . 36756 1 67 67 LYS . 36756 1 68 68 LEU . 36756 1 69 69 GLN . 36756 1 70 70 GLU . 36756 1 71 71 LYS . 36756 1 72 72 GLU . 36756 1 73 73 GLU . 36756 1 74 74 TRP . 36756 1 75 75 LYS . 36756 1 76 76 ARG . 36756 1 77 77 ILE . 36756 1 78 78 PRO . 36756 1 79 79 VAL . 36756 1 80 80 ILE . 36756 1 81 81 VAL . 36756 1 82 82 LEU . 36756 1 83 83 THR . 36756 1 84 84 ALA . 36756 1 85 85 LYS . 36756 1 86 86 GLY . 36756 1 87 87 GLY . 36756 1 88 88 GLU . 36756 1 89 89 GLU . 36756 1 90 90 ASP . 36756 1 91 91 GLU . 36756 1 92 92 SER . 36756 1 93 93 LEU . 36756 1 94 94 ALA . 36756 1 95 95 LEU . 36756 1 96 96 SER . 36756 1 97 97 LEU . 36756 1 98 98 GLY . 36756 1 99 99 ALA . 36756 1 100 100 ARG . 36756 1 101 101 LYS . 36756 1 102 102 VAL . 36756 1 103 103 MET . 36756 1 104 104 ARG . 36756 1 105 105 LYS . 36756 1 106 106 PRO . 36756 1 107 107 PHE . 36756 1 108 108 SER . 36756 1 109 109 PRO . 36756 1 110 110 SER . 36756 1 111 111 GLN . 36756 1 112 112 PHE . 36756 1 113 113 ILE . 36756 1 114 114 GLU . 36756 1 115 115 GLU . 36756 1 116 116 VAL . 36756 1 117 117 LYS . 36756 1 118 118 HIS . 36756 1 119 119 LEU . 36756 1 120 120 LEU . 36756 1 121 121 ASN . 36756 1 122 122 GLU . 36756 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 36756 1 . SER 2 2 36756 1 . LYS 3 3 36756 1 . LYS 4 4 36756 1 . VAL 5 5 36756 1 . LEU 6 6 36756 1 . LEU 7 7 36756 1 . VAL 8 8 36756 1 . ASP 9 9 36756 1 . ASP 10 10 36756 1 . SER 11 11 36756 1 . ALA 12 12 36756 1 . VAL 13 13 36756 1 . LEU 14 14 36756 1 . ARG 15 15 36756 1 . LYS 16 16 36756 1 . ILE 17 17 36756 1 . VAL 18 18 36756 1 . SER 19 19 36756 1 . PHE 20 20 36756 1 . ASN 21 21 36756 1 . LEU 22 22 36756 1 . LYS 23 23 36756 1 . LYS 24 24 36756 1 . GLU 25 25 36756 1 . GLY 26 26 36756 1 . TYR 27 27 36756 1 . GLU 28 28 36756 1 . VAL 29 29 36756 1 . ILE 30 30 36756 1 . GLU 31 31 36756 1 . ALA 32 32 36756 1 . GLU 33 33 36756 1 . ASN 34 34 36756 1 . GLY 35 35 36756 1 . GLN 36 36 36756 1 . ILE 37 37 36756 1 . ALA 38 38 36756 1 . LEU 39 39 36756 1 . GLU 40 40 36756 1 . LYS 41 41 36756 1 . LEU 42 42 36756 1 . SER 43 43 36756 1 . GLU 44 44 36756 1 . PHE 45 45 36756 1 . THR 46 46 36756 1 . PRO 47 47 36756 1 . ASP 48 48 36756 1 . LEU 49 49 36756 1 . ILE 50 50 36756 1 . VAL 51 51 36756 1 . LEU 52 52 36756 1 . ASP 53 53 36756 1 . ILE 54 54 36756 1 . MET 55 55 36756 1 . MET 56 56 36756 1 . PRO 57 57 36756 1 . VAL 58 58 36756 1 . MET 59 59 36756 1 . ASP 60 60 36756 1 . GLY 61 61 36756 1 . PHE 62 62 36756 1 . THR 63 63 36756 1 . VAL 64 64 36756 1 . LEU 65 65 36756 1 . LYS 66 66 36756 1 . LYS 67 67 36756 1 . LEU 68 68 36756 1 . GLN 69 69 36756 1 . GLU 70 70 36756 1 . LYS 71 71 36756 1 . GLU 72 72 36756 1 . GLU 73 73 36756 1 . TRP 74 74 36756 1 . LYS 75 75 36756 1 . ARG 76 76 36756 1 . ILE 77 77 36756 1 . PRO 78 78 36756 1 . VAL 79 79 36756 1 . ILE 80 80 36756 1 . VAL 81 81 36756 1 . LEU 82 82 36756 1 . THR 83 83 36756 1 . ALA 84 84 36756 1 . LYS 85 85 36756 1 . GLY 86 86 36756 1 . GLY 87 87 36756 1 . GLU 88 88 36756 1 . GLU 89 89 36756 1 . ASP 90 90 36756 1 . GLU 91 91 36756 1 . SER 92 92 36756 1 . LEU 93 93 36756 1 . ALA 94 94 36756 1 . LEU 95 95 36756 1 . SER 96 96 36756 1 . LEU 97 97 36756 1 . GLY 98 98 36756 1 . ALA 99 99 36756 1 . ARG 100 100 36756 1 . LYS 101 101 36756 1 . VAL 102 102 36756 1 . MET 103 103 36756 1 . ARG 104 104 36756 1 . LYS 105 105 36756 1 . PRO 106 106 36756 1 . PHE 107 107 36756 1 . SER 108 108 36756 1 . PRO 109 109 36756 1 . SER 110 110 36756 1 . GLN 111 111 36756 1 . PHE 112 112 36756 1 . ILE 113 113 36756 1 . GLU 114 114 36756 1 . GLU 115 115 36756 1 . VAL 116 116 36756 1 . LYS 117 117 36756 1 . HIS 118 118 36756 1 . LEU 119 119 36756 1 . LEU 120 120 36756 1 . ASN 121 121 36756 1 . GLU 122 122 36756 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 36756 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 201 MG $chem_comp_MG 36756 2 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 36756 _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 . 243274 organism . 'Thermotoga maritima MSB8' . . . . Thermotogati Thermotoga maritima . . . . . . . . . . . TM_0468 . 36756 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 36756 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 Escherichia coli . . . . . . . . . . 36756 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 36756 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 36756 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 36756 MG [Mg++] SMILES CACTVS 3.341 36756 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 36756 MG [Mg+2] SMILES ACDLabs 10.04 36756 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 36756 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36756 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 36756 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36756 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36756 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36756 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-100% 13C; U-100% 15N] RR468, 20 mM HEPES, 10 mM magnesium chloride, 50 mM potassium chloride, 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 RR468 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.8 . . mM . . . . 36756 1 2 'magnesium chloride' 'natural abundance' 1 $assembly 2 $entity_MG . 'metal ion' 10 . . mM . . . . 36756 1 3 'potassium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36756 1 4 HEPES 'natural abundance' . . . . . buffer 20 . . mM . . . . 36756 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36756 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36756 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36756 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 36756 1 pH 7.0 . pH 36756 1 pressure 1 . atm 36756 1 temperature 298 . K 36756 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36756 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36756 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36756 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36756 _Software.ID 2 _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' . . 36756 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36756 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36756 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36756 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36756 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36756 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36756 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36756 4 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 36756 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36756 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36756 _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 III' . 850 . . . 36756 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36756 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 36756 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36756 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36756 1 3 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36756 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36756 1 5 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36756 1 6 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36756 1 7 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36756 1 8 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36756 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36756 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DMSO-d6 'methyl carbons' . . . . ppm 39.7 external direct 0.251449530 . . . . . 36756 1 H 1 'Deuterium Oxide' protons . . . . ppm 4.78 internal direct 1.0 . . . . . 36756 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external direct 0.101329118 . . . . . 36756 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_starch_output _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode starch_output _Assigned_chem_shift_list.Entry_ID 36756 _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 $chem_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 $sample_1 isotropic 36756 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36756 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36756 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 2 2 SER H H 1 8.416 0.000 . 1 . . . . A 2 SER H . 36756 1 2 . 1 . 1 2 2 SER HA H 1 4.550 0.000 . 1 . . . . A 2 SER HA . 36756 1 3 . 1 . 1 2 2 SER HB2 H 1 3.927 0.000 . . . . . . A 2 SER HB2 . 36756 1 4 . 1 . 1 2 2 SER HB3 H 1 3.813 0.000 . . . . . . A 2 SER HB3 . 36756 1 5 . 1 . 1 2 2 SER CA C 13 55.644 0.000 . 1 . . . . A 2 SER CA . 36756 1 6 . 1 . 1 2 2 SER CB C 13 61.481 0.000 . 1 . . . . A 2 SER CB . 36756 1 7 . 1 . 1 2 2 SER N N 15 119.022 0.000 . 1 . . . . A 2 SER N . 36756 1 8 . 1 . 1 3 3 LYS H H 1 8.574 0.000 . 1 . . . . A 3 LYS H . 36756 1 9 . 1 . 1 3 3 LYS HA H 1 4.017 0.000 . 1 . . . . A 3 LYS HA . 36756 1 10 . 1 . 1 3 3 LYS HB2 H 1 1.792 0.000 . . . . . . A 3 LYS HB2 . 36756 1 11 . 1 . 1 3 3 LYS HB3 H 1 1.437 0.000 . . . . . . A 3 LYS HB3 . 36756 1 12 . 1 . 1 3 3 LYS CA C 13 52.805 0.000 . 1 . . . . A 3 LYS CA . 36756 1 13 . 1 . 1 3 3 LYS CB C 13 31.313 0.000 . 1 . . . . A 3 LYS CB . 36756 1 14 . 1 . 1 3 3 LYS N N 15 123.244 0.000 . 1 . . . . A 3 LYS N . 36756 1 15 . 1 . 1 4 4 LYS H H 1 9.780 0.000 . 1 . . . . A 4 LYS H . 36756 1 16 . 1 . 1 4 4 LYS HA H 1 5.112 0.000 . 1 . . . . A 4 LYS HA . 36756 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.903 0.000 . . . . . . A 4 LYS HB2 . 36756 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.559 0.000 . . . . . . A 4 LYS HB3 . 36756 1 19 . 1 . 1 4 4 LYS CA C 13 52.686 0.000 . 1 . . . . A 4 LYS CA . 36756 1 20 . 1 . 1 4 4 LYS CB C 13 33.206 0.000 . 1 . . . . A 4 LYS CB . 36756 1 21 . 1 . 1 4 4 LYS N N 15 120.997 0.000 . 1 . . . . A 4 LYS N . 36756 1 22 . 1 . 1 5 5 VAL H H 1 9.171 0.000 . 1 . . . . A 5 VAL H . 36756 1 23 . 1 . 1 5 5 VAL HA H 1 4.702 0.000 . 1 . . . . A 5 VAL HA . 36756 1 24 . 1 . 1 5 5 VAL HB H 1 1.916 0.000 . 1 . . . . A 5 VAL HB . 36756 1 25 . 1 . 1 5 5 VAL HG11 H 1 0.602 0.000 . . . . . . A 5 VAL HG11 . 36756 1 26 . 1 . 1 5 5 VAL HG12 H 1 0.602 0.000 . . . . . . A 5 VAL HG12 . 36756 1 27 . 1 . 1 5 5 VAL HG13 H 1 0.602 0.000 . . . . . . A 5 VAL HG13 . 36756 1 28 . 1 . 1 5 5 VAL HG21 H 1 0.659 0.000 . . . . . . A 5 VAL HG21 . 36756 1 29 . 1 . 1 5 5 VAL HG22 H 1 0.659 0.000 . . . . . . A 5 VAL HG22 . 36756 1 30 . 1 . 1 5 5 VAL HG23 H 1 0.659 0.000 . . . . . . A 5 VAL HG23 . 36756 1 31 . 1 . 1 5 5 VAL CA C 13 57.892 0.000 . 1 . . . . A 5 VAL CA . 36756 1 32 . 1 . 1 5 5 VAL CB C 13 32.451 0.000 . 1 . . . . A 5 VAL CB . 36756 1 33 . 1 . 1 5 5 VAL CG1 C 13 18.318 0.000 . . . . . . A 5 VAL CG1 . 36756 1 34 . 1 . 1 5 5 VAL CG2 C 13 18.157 0.000 . . . . . . A 5 VAL CG2 . 36756 1 35 . 1 . 1 5 5 VAL N N 15 124.364 0.000 . 1 . . . . A 5 VAL N . 36756 1 36 . 1 . 1 6 6 LEU H H 1 8.384 0.000 . 1 . . . . A 6 LEU H . 36756 1 37 . 1 . 1 6 6 LEU HA H 1 5.327 0.000 . 1 . . . . A 6 LEU HA . 36756 1 38 . 1 . 1 6 6 LEU HB2 H 1 1.058 0.000 . . . . . . A 6 LEU HB2 . 36756 1 39 . 1 . 1 6 6 LEU HB3 H 1 2.000 0.000 . . . . . . A 6 LEU HB3 . 36756 1 40 . 1 . 1 6 6 LEU HD11 H 1 0.646 0.000 . . . . . . A 6 LEU HD11 . 36756 1 41 . 1 . 1 6 6 LEU HD12 H 1 0.646 0.000 . . . . . . A 6 LEU HD12 . 36756 1 42 . 1 . 1 6 6 LEU HD13 H 1 0.646 0.000 . . . . . . A 6 LEU HD13 . 36756 1 43 . 1 . 1 6 6 LEU HD21 H 1 0.783 0.000 . . . . . . A 6 LEU HD21 . 36756 1 44 . 1 . 1 6 6 LEU HD22 H 1 0.783 0.000 . . . . . . A 6 LEU HD22 . 36756 1 45 . 1 . 1 6 6 LEU HD23 H 1 0.783 0.000 . . . . . . A 6 LEU HD23 . 36756 1 46 . 1 . 1 6 6 LEU CA C 13 50.557 0.000 . 1 . . . . A 6 LEU CA . 36756 1 47 . 1 . 1 6 6 LEU CB C 13 41.699 0.000 . 1 . . . . A 6 LEU CB . 36756 1 48 . 1 . 1 6 6 LEU CD1 C 13 23.622 0.000 . . . . . . A 6 LEU CD1 . 36756 1 49 . 1 . 1 6 6 LEU CD2 C 13 20.561 0.000 . . . . . . A 6 LEU CD2 . 36756 1 50 . 1 . 1 6 6 LEU N N 15 128.397 0.000 . 1 . . . . A 6 LEU N . 36756 1 51 . 1 . 1 7 7 LEU H H 1 9.288 0.000 . 1 . . . . A 7 LEU H . 36756 1 52 . 1 . 1 7 7 LEU HA H 1 4.728 0.000 . 1 . . . . A 7 LEU HA . 36756 1 53 . 1 . 1 7 7 LEU HB2 H 1 1.771 0.000 . . . . . . A 7 LEU HB2 . 36756 1 54 . 1 . 1 7 7 LEU HB3 H 1 0.909 0.000 . . . . . . A 7 LEU HB3 . 36756 1 55 . 1 . 1 7 7 LEU CA C 13 51.030 0.000 . 1 . . . . A 7 LEU CA . 36756 1 56 . 1 . 1 7 7 LEU CB C 13 42.433 0.000 . 1 . . . . A 7 LEU CB . 36756 1 57 . 1 . 1 7 7 LEU N N 15 132.252 0.000 . 1 . . . . A 7 LEU N . 36756 1 58 . 1 . 1 8 8 VAL H H 1 9.136 0.000 . 1 . . . . A 8 VAL H . 36756 1 59 . 1 . 1 8 8 VAL HA H 1 5.051 0.000 . 1 . . . . A 8 VAL HA . 36756 1 60 . 1 . 1 8 8 VAL HB H 1 2.448 0.000 . 1 . . . . A 8 VAL HB . 36756 1 61 . 1 . 1 8 8 VAL HG11 H 1 0.566 0.000 . . . . . . A 8 VAL HG11 . 36756 1 62 . 1 . 1 8 8 VAL HG12 H 1 0.566 0.000 . . . . . . A 8 VAL HG12 . 36756 1 63 . 1 . 1 8 8 VAL HG13 H 1 0.566 0.000 . . . . . . A 8 VAL HG13 . 36756 1 64 . 1 . 1 8 8 VAL HG21 H 1 0.679 0.000 . . . . . . A 8 VAL HG21 . 36756 1 65 . 1 . 1 8 8 VAL HG22 H 1 0.679 0.000 . . . . . . A 8 VAL HG22 . 36756 1 66 . 1 . 1 8 8 VAL HG23 H 1 0.679 0.000 . . . . . . A 8 VAL HG23 . 36756 1 67 . 1 . 1 8 8 VAL CA C 13 56.946 0.000 . 1 . . . . A 8 VAL CA . 36756 1 68 . 1 . 1 8 8 VAL CB C 13 29.627 0.000 . 1 . . . . A 8 VAL CB . 36756 1 69 . 1 . 1 8 8 VAL CG1 C 13 19.403 0.000 . . . . . . A 8 VAL CG1 . 36756 1 70 . 1 . 1 8 8 VAL CG2 C 13 18.355 0.000 . . . . . . A 8 VAL CG2 . 36756 1 71 . 1 . 1 8 8 VAL N N 15 128.746 0.000 . 1 . . . . A 8 VAL N . 36756 1 72 . 1 . 1 9 9 ASP H H 1 7.638 0.000 . 1 . . . . A 9 ASP H . 36756 1 73 . 1 . 1 9 9 ASP HA H 1 4.579 0.000 . 1 . . . . A 9 ASP HA . 36756 1 74 . 1 . 1 9 9 ASP HB2 H 1 2.507 0.000 . . . . . . A 9 ASP HB2 . 36756 1 75 . 1 . 1 9 9 ASP HB3 H 1 2.158 0.000 . . . . . . A 9 ASP HB3 . 36756 1 76 . 1 . 1 9 9 ASP CA C 13 53.041 0.000 . 1 . . . . A 9 ASP CA . 36756 1 77 . 1 . 1 9 9 ASP CB C 13 41.763 0.000 . 1 . . . . A 9 ASP CB . 36756 1 78 . 1 . 1 9 9 ASP N N 15 122.422 0.000 . 1 . . . . A 9 ASP N . 36756 1 79 . 1 . 1 10 10 ASP H H 1 8.885 0.000 . 1 . . . . A 10 ASP H . 36756 1 80 . 1 . 1 10 10 ASP HA H 1 4.720 0.000 . 1 . . . . A 10 ASP HA . 36756 1 81 . 1 . 1 10 10 ASP HB2 H 1 2.887 0.000 . . . . . . A 10 ASP HB2 . 36756 1 82 . 1 . 1 10 10 ASP HB3 H 1 2.764 0.000 . . . . . . A 10 ASP HB3 . 36756 1 83 . 1 . 1 10 10 ASP CA C 13 52.781 0.000 . 1 . . . . A 10 ASP CA . 36756 1 84 . 1 . 1 10 10 ASP CB C 13 38.212 0.000 . 1 . . . . A 10 ASP CB . 36756 1 85 . 1 . 1 10 10 ASP N N 15 123.902 0.000 . 1 . . . . A 10 ASP N . 36756 1 86 . 1 . 1 11 11 SER H H 1 10.110 0.000 . 1 . . . . A 11 SER H . 36756 1 87 . 1 . 1 11 11 SER HA H 1 4.693 0.000 . 1 . . . . A 11 SER HA . 36756 1 88 . 1 . 1 11 11 SER HB2 H 1 3.901 0.000 . . . . . . A 11 SER HB2 . 36756 1 89 . 1 . 1 11 11 SER HB3 H 1 3.839 0.000 . . . . . . A 11 SER HB3 . 36756 1 90 . 1 . 1 11 11 SER CA C 13 53.672 0.000 . 1 . . . . A 11 SER CA . 36756 1 91 . 1 . 1 11 11 SER CB C 13 59.547 0.000 . 1 . . . . A 11 SER CB . 36756 1 92 . 1 . 1 11 11 SER N N 15 118.818 0.000 . 1 . . . . A 11 SER N . 36756 1 93 . 1 . 1 12 12 ALA H H 1 8.959 0.000 . 1 . . . . A 12 ALA H . 36756 1 94 . 1 . 1 12 12 ALA HA H 1 3.813 0.000 . 1 . . . . A 12 ALA HA . 36756 1 95 . 1 . 1 12 12 ALA HB1 H 1 1.456 0.000 . 1 . . . . A 12 ALA HB1 . 36756 1 96 . 1 . 1 12 12 ALA HB2 H 1 1.456 0.000 . 1 . . . . A 12 ALA HB2 . 36756 1 97 . 1 . 1 12 12 ALA HB3 H 1 1.456 0.000 . 1 . . . . A 12 ALA HB3 . 36756 1 98 . 1 . 1 12 12 ALA CA C 13 52.743 0.000 . 1 . . . . A 12 ALA CA . 36756 1 99 . 1 . 1 12 12 ALA CB C 13 15.690 0.000 . 1 . . . . A 12 ALA CB . 36756 1 100 . 1 . 1 12 12 ALA N N 15 134.174 0.000 . 1 . . . . A 12 ALA N . 36756 1 101 . 1 . 1 13 13 VAL H H 1 7.669 0.000 . 1 . . . . A 13 VAL H . 36756 1 102 . 1 . 1 13 13 VAL HA H 1 3.615 0.000 . 1 . . . . A 13 VAL HA . 36756 1 103 . 1 . 1 13 13 VAL HB H 1 1.780 0.000 . 1 . . . . A 13 VAL HB . 36756 1 104 . 1 . 1 13 13 VAL HG11 H 1 0.967 0.000 . . . . . . A 13 VAL HG11 . 36756 1 105 . 1 . 1 13 13 VAL HG12 H 1 0.967 0.000 . . . . . . A 13 VAL HG12 . 36756 1 106 . 1 . 1 13 13 VAL HG13 H 1 0.967 0.000 . . . . . . A 13 VAL HG13 . 36756 1 107 . 1 . 1 13 13 VAL HG21 H 1 0.854 0.000 . . . . . . A 13 VAL HG21 . 36756 1 108 . 1 . 1 13 13 VAL HG22 H 1 0.854 0.000 . . . . . . A 13 VAL HG22 . 36756 1 109 . 1 . 1 13 13 VAL HG23 H 1 0.854 0.000 . . . . . . A 13 VAL HG23 . 36756 1 110 . 1 . 1 13 13 VAL CA C 13 63.176 0.000 . 1 . . . . A 13 VAL CA . 36756 1 111 . 1 . 1 13 13 VAL CB C 13 29.420 0.000 . 1 . . . . A 13 VAL CB . 36756 1 112 . 1 . 1 13 13 VAL CG1 C 13 19.301 0.000 . . . . . . A 13 VAL CG1 . 36756 1 113 . 1 . 1 13 13 VAL CG2 C 13 17.941 0.000 . . . . . . A 13 VAL CG2 . 36756 1 114 . 1 . 1 13 13 VAL N N 15 117.260 0.000 . 1 . . . . A 13 VAL N . 36756 1 115 . 1 . 1 14 14 LEU H H 1 7.270 0.000 . 1 . . . . A 14 LEU H . 36756 1 116 . 1 . 1 14 14 LEU HB2 H 1 1.634 0.000 . . . . . . A 14 LEU HB2 . 36756 1 117 . 1 . 1 14 14 LEU HB3 H 1 1.660 0.000 . . . . . . A 14 LEU HB3 . 36756 1 118 . 1 . 1 14 14 LEU HD11 H 1 0.708 0.000 . . . . . . A 14 LEU HD11 . 36756 1 119 . 1 . 1 14 14 LEU HD12 H 1 0.708 0.000 . . . . . . A 14 LEU HD12 . 36756 1 120 . 1 . 1 14 14 LEU HD13 H 1 0.708 0.000 . . . . . . A 14 LEU HD13 . 36756 1 121 . 1 . 1 14 14 LEU HD21 H 1 0.666 0.000 . . . . . . A 14 LEU HD21 . 36756 1 122 . 1 . 1 14 14 LEU HD22 H 1 0.666 0.000 . . . . . . A 14 LEU HD22 . 36756 1 123 . 1 . 1 14 14 LEU HD23 H 1 0.666 0.000 . . . . . . A 14 LEU HD23 . 36756 1 124 . 1 . 1 14 14 LEU HG H 1 1.636 0.000 . 1 . . . . A 14 LEU HG . 36756 1 125 . 1 . 1 14 14 LEU CA C 13 54.028 0.000 . 1 . . . . A 14 LEU CA . 36756 1 126 . 1 . 1 14 14 LEU CB C 13 38.102 0.000 . 1 . . . . A 14 LEU CB . 36756 1 127 . 1 . 1 14 14 LEU CD1 C 13 20.633 0.000 . . . . . . A 14 LEU CD1 . 36756 1 128 . 1 . 1 14 14 LEU CD2 C 13 21.084 0.000 . . . . . . A 14 LEU CD2 . 36756 1 129 . 1 . 1 14 14 LEU CG C 13 24.883 0.000 . 1 . . . . A 14 LEU CG . 36756 1 130 . 1 . 1 14 14 LEU N N 15 121.870 0.000 . 1 . . . . A 14 LEU N . 36756 1 131 . 1 . 1 15 15 ARG H H 1 8.314 0.000 . 1 . . . . A 15 ARG H . 36756 1 132 . 1 . 1 15 15 ARG HA H 1 3.697 0.000 . 1 . . . . A 15 ARG HA . 36756 1 133 . 1 . 1 15 15 ARG HB2 H 1 1.606 0.000 . . . . . . A 15 ARG HB2 . 36756 1 134 . 1 . 1 15 15 ARG HB3 H 1 1.852 0.000 . . . . . . A 15 ARG HB3 . 36756 1 135 . 1 . 1 15 15 ARG CA C 13 58.641 0.000 . 1 . . . . A 15 ARG CA . 36756 1 136 . 1 . 1 15 15 ARG CB C 13 27.448 0.000 . 1 . . . . A 15 ARG CB . 36756 1 137 . 1 . 1 15 15 ARG N N 15 115.944 0.000 . 1 . . . . A 15 ARG N . 36756 1 138 . 1 . 1 16 16 LYS H H 1 7.848 0.000 . 1 . . . . A 16 LYS H . 36756 1 139 . 1 . 1 16 16 LYS HA H 1 4.027 0.000 . 1 . . . . A 16 LYS HA . 36756 1 140 . 1 . 1 16 16 LYS HB2 H 1 1.923 0.000 . . . . . . A 16 LYS HB2 . 36756 1 141 . 1 . 1 16 16 LYS HB3 H 1 1.929 0.000 . . . . . . A 16 LYS HB3 . 36756 1 142 . 1 . 1 16 16 LYS HD2 H 1 1.641 0.000 . . . . . . A 16 LYS HD2 . 36756 1 143 . 1 . 1 16 16 LYS HD3 H 1 1.632 0.000 . . . . . . A 16 LYS HD3 . 36756 1 144 . 1 . 1 16 16 LYS HE2 H 1 2.904 0.000 . . . . . . A 16 LYS HE2 . 36756 1 145 . 1 . 1 16 16 LYS HE3 H 1 2.916 0.000 . . . . . . A 16 LYS HE3 . 36756 1 146 . 1 . 1 16 16 LYS HG2 H 1 1.494 0.000 . . . . . . A 16 LYS HG2 . 36756 1 147 . 1 . 1 16 16 LYS HG3 H 1 1.402 0.000 . . . . . . A 16 LYS HG3 . 36756 1 148 . 1 . 1 16 16 LYS CA C 13 57.103 0.000 . 1 . . . . A 16 LYS CA . 36756 1 149 . 1 . 1 16 16 LYS CB C 13 29.538 0.000 . 1 . . . . A 16 LYS CB . 36756 1 150 . 1 . 1 16 16 LYS CD C 13 26.537 0.000 . 1 . . . . A 16 LYS CD . 36756 1 151 . 1 . 1 16 16 LYS CE C 13 39.397 0.000 . 1 . . . . A 16 LYS CE . 36756 1 152 . 1 . 1 16 16 LYS CG C 13 22.330 0.000 . 1 . . . . A 16 LYS CG . 36756 1 153 . 1 . 1 16 16 LYS N N 15 118.836 0.000 . 1 . . . . A 16 LYS N . 36756 1 154 . 1 . 1 17 17 ILE H H 1 7.436 0.000 . 1 . . . . A 17 ILE H . 36756 1 155 . 1 . 1 17 17 ILE HA H 1 3.923 0.000 . 1 . . . . A 17 ILE HA . 36756 1 156 . 1 . 1 17 17 ILE HB H 1 1.895 0.000 . 1 . . . . A 17 ILE HB . 36756 1 157 . 1 . 1 17 17 ILE HD11 H 1 0.765 0.000 . 1 . . . . A 17 ILE HD11 . 36756 1 158 . 1 . 1 17 17 ILE HD12 H 1 0.765 0.000 . 1 . . . . A 17 ILE HD12 . 36756 1 159 . 1 . 1 17 17 ILE HD13 H 1 0.765 0.000 . 1 . . . . A 17 ILE HD13 . 36756 1 160 . 1 . 1 17 17 ILE HG12 H 1 1.128 0.000 . . . . . . A 17 ILE HG12 . 36756 1 161 . 1 . 1 17 17 ILE HG13 H 1 1.124 0.000 . . . . . . A 17 ILE HG13 . 36756 1 162 . 1 . 1 17 17 ILE HG21 H 1 0.888 0.000 . 1 . . . . A 17 ILE HG21 . 36756 1 163 . 1 . 1 17 17 ILE HG22 H 1 0.888 0.000 . 1 . . . . A 17 ILE HG22 . 36756 1 164 . 1 . 1 17 17 ILE HG23 H 1 0.888 0.000 . 1 . . . . A 17 ILE HG23 . 36756 1 165 . 1 . 1 17 17 ILE CA C 13 61.914 0.000 . 1 . . . . A 17 ILE CA . 36756 1 166 . 1 . 1 17 17 ILE CB C 13 36.347 0.000 . 1 . . . . A 17 ILE CB . 36756 1 167 . 1 . 1 17 17 ILE CD1 C 13 10.638 0.000 . 1 . . . . A 17 ILE CD1 . 36756 1 168 . 1 . 1 17 17 ILE CG1 C 13 26.180 0.000 . 1 . . . . A 17 ILE CG1 . 36756 1 169 . 1 . 1 17 17 ILE CG2 C 13 14.283 0.000 . 1 . . . . A 17 ILE CG2 . 36756 1 170 . 1 . 1 17 17 ILE N N 15 119.676 0.000 . 1 . . . . A 17 ILE N . 36756 1 171 . 1 . 1 18 18 VAL H H 1 8.504 0.000 . 1 . . . . A 18 VAL H . 36756 1 172 . 1 . 1 18 18 VAL HA H 1 3.558 0.000 . 1 . . . . A 18 VAL HA . 36756 1 173 . 1 . 1 18 18 VAL HB H 1 1.930 0.000 . 1 . . . . A 18 VAL HB . 36756 1 174 . 1 . 1 18 18 VAL HG11 H 1 0.754 0.000 . . . . . . A 18 VAL HG11 . 36756 1 175 . 1 . 1 18 18 VAL HG12 H 1 0.754 0.000 . . . . . . A 18 VAL HG12 . 36756 1 176 . 1 . 1 18 18 VAL HG13 H 1 0.754 0.000 . . . . . . A 18 VAL HG13 . 36756 1 177 . 1 . 1 18 18 VAL HG21 H 1 0.749 0.000 . . . . . . A 18 VAL HG21 . 36756 1 178 . 1 . 1 18 18 VAL HG22 H 1 0.749 0.000 . . . . . . A 18 VAL HG22 . 36756 1 179 . 1 . 1 18 18 VAL HG23 H 1 0.749 0.000 . . . . . . A 18 VAL HG23 . 36756 1 180 . 1 . 1 18 18 VAL CA C 13 64.837 0.000 . 1 . . . . A 18 VAL CA . 36756 1 181 . 1 . 1 18 18 VAL CB C 13 28.588 0.000 . 1 . . . . A 18 VAL CB . 36756 1 182 . 1 . 1 18 18 VAL CG1 C 13 21.007 0.000 . . . . . . A 18 VAL CG1 . 36756 1 183 . 1 . 1 18 18 VAL CG2 C 13 21.218 0.000 . . . . . . A 18 VAL CG2 . 36756 1 184 . 1 . 1 18 18 VAL N N 15 121.309 0.000 . 1 . . . . A 18 VAL N . 36756 1 185 . 1 . 1 19 19 SER H H 1 8.956 0.000 . 1 . . . . A 19 SER H . 36756 1 186 . 1 . 1 19 19 SER HA H 1 4.007 0.000 . 1 . . . . A 19 SER HA . 36756 1 187 . 1 . 1 19 19 SER HB2 H 1 3.869 0.000 . . . . . . A 19 SER HB2 . 36756 1 188 . 1 . 1 19 19 SER HB3 H 1 3.839 0.000 . . . . . . A 19 SER HB3 . 36756 1 189 . 1 . 1 19 19 SER CA C 13 60.022 0.000 . 1 . . . . A 19 SER CA . 36756 1 190 . 1 . 1 19 19 SER N N 15 115.685 0.000 . 1 . . . . A 19 SER N . 36756 1 191 . 1 . 1 20 20 PHE H H 1 7.902 0.000 . 1 . . . . A 20 PHE H . 36756 1 192 . 1 . 1 20 20 PHE HA H 1 4.185 0.000 . 1 . . . . A 20 PHE HA . 36756 1 193 . 1 . 1 20 20 PHE HB2 H 1 3.419 0.000 . . . . . . A 20 PHE HB2 . 36756 1 194 . 1 . 1 20 20 PHE HB3 H 1 3.200 0.000 . . . . . . A 20 PHE HB3 . 36756 1 195 . 1 . 1 20 20 PHE CA C 13 59.154 0.000 . 1 . . . . A 20 PHE CA . 36756 1 196 . 1 . 1 20 20 PHE CB C 13 36.629 0.000 . 1 . . . . A 20 PHE CB . 36756 1 197 . 1 . 1 20 20 PHE N N 15 120.600 0.000 . 1 . . . . A 20 PHE N . 36756 1 198 . 1 . 1 21 21 ASN H H 1 7.628 0.000 . 1 . . . . A 21 ASN H . 36756 1 199 . 1 . 1 21 21 ASN HA H 1 4.108 0.000 . 1 . . . . A 21 ASN HA . 36756 1 200 . 1 . 1 21 21 ASN HB2 H 1 2.871 0.000 . . . . . . A 21 ASN HB2 . 36756 1 201 . 1 . 1 21 21 ASN HB3 H 1 2.630 0.000 . . . . . . A 21 ASN HB3 . 36756 1 202 . 1 . 1 21 21 ASN CA C 13 54.677 0.000 . 1 . . . . A 21 ASN CA . 36756 1 203 . 1 . 1 21 21 ASN CB C 13 36.991 0.000 . 1 . . . . A 21 ASN CB . 36756 1 204 . 1 . 1 21 21 ASN N N 15 116.308 0.000 . 1 . . . . A 21 ASN N . 36756 1 205 . 1 . 1 22 22 LEU H H 1 8.576 0.000 . 1 . . . . A 22 LEU H . 36756 1 206 . 1 . 1 22 22 LEU HA H 1 4.095 0.000 . 1 . . . . A 22 LEU HA . 36756 1 207 . 1 . 1 22 22 LEU HB2 H 1 2.115 0.000 . . . . . . A 22 LEU HB2 . 36756 1 208 . 1 . 1 22 22 LEU HB3 H 1 1.270 0.000 . . . . . . A 22 LEU HB3 . 36756 1 209 . 1 . 1 22 22 LEU HD11 H 1 0.770 0.000 . . . . . . A 22 LEU HD11 . 36756 1 210 . 1 . 1 22 22 LEU HD12 H 1 0.770 0.000 . . . . . . A 22 LEU HD12 . 36756 1 211 . 1 . 1 22 22 LEU HD13 H 1 0.770 0.000 . . . . . . A 22 LEU HD13 . 36756 1 212 . 1 . 1 22 22 LEU HD21 H 1 0.669 0.000 . . . . . . A 22 LEU HD21 . 36756 1 213 . 1 . 1 22 22 LEU HD22 H 1 0.669 0.000 . . . . . . A 22 LEU HD22 . 36756 1 214 . 1 . 1 22 22 LEU HD23 H 1 0.669 0.000 . . . . . . A 22 LEU HD23 . 36756 1 215 . 1 . 1 22 22 LEU HG H 1 1.741 0.000 . 1 . . . . A 22 LEU HG . 36756 1 216 . 1 . 1 22 22 LEU CA C 13 55.448 0.000 . 1 . . . . A 22 LEU CA . 36756 1 217 . 1 . 1 22 22 LEU CB C 13 39.949 0.000 . 1 . . . . A 22 LEU CB . 36756 1 218 . 1 . 1 22 22 LEU CD1 C 13 21.035 0.000 . . . . . . A 22 LEU CD1 . 36756 1 219 . 1 . 1 22 22 LEU CD2 C 13 23.507 0.000 . . . . . . A 22 LEU CD2 . 36756 1 220 . 1 . 1 22 22 LEU CG C 13 24.541 0.000 . 1 . . . . A 22 LEU CG . 36756 1 221 . 1 . 1 22 22 LEU N N 15 119.058 0.000 . 1 . . . . A 22 LEU N . 36756 1 222 . 1 . 1 23 23 LYS H H 1 8.696 0.000 . 1 . . . . A 23 LYS H . 36756 1 223 . 1 . 1 23 23 LYS HA H 1 4.429 0.000 . 1 . . . . A 23 LYS HA . 36756 1 224 . 1 . 1 23 23 LYS HB2 H 1 1.813 0.000 . . . . . . A 23 LYS HB2 . 36756 1 225 . 1 . 1 23 23 LYS HB3 H 1 1.797 0.000 . . . . . . A 23 LYS HB3 . 36756 1 226 . 1 . 1 23 23 LYS HD2 H 1 1.665 0.000 . . . . . . A 23 LYS HD2 . 36756 1 227 . 1 . 1 23 23 LYS HD3 H 1 1.670 0.000 . . . . . . A 23 LYS HD3 . 36756 1 228 . 1 . 1 23 23 LYS HE2 H 1 2.909 0.000 . . . . . . A 23 LYS HE2 . 36756 1 229 . 1 . 1 23 23 LYS HE3 H 1 2.905 0.000 . . . . . . A 23 LYS HE3 . 36756 1 230 . 1 . 1 23 23 LYS HG2 H 1 1.469 0.000 . . . . . . A 23 LYS HG2 . 36756 1 231 . 1 . 1 23 23 LYS HG3 H 1 1.463 0.000 . . . . . . A 23 LYS HG3 . 36756 1 232 . 1 . 1 23 23 LYS CA C 13 57.182 0.000 . 1 . . . . A 23 LYS CA . 36756 1 233 . 1 . 1 23 23 LYS CB C 13 29.223 0.000 . 1 . . . . A 23 LYS CB . 36756 1 234 . 1 . 1 23 23 LYS CD C 13 26.888 0.000 . 1 . . . . A 23 LYS CD . 36756 1 235 . 1 . 1 23 23 LYS CE C 13 39.615 0.000 . 1 . . . . A 23 LYS CE . 36756 1 236 . 1 . 1 23 23 LYS CG C 13 23.483 0.000 . 1 . . . . A 23 LYS CG . 36756 1 237 . 1 . 1 23 23 LYS N N 15 120.368 0.000 . 1 . . . . A 23 LYS N . 36756 1 238 . 1 . 1 24 24 LYS H H 1 7.528 0.000 . 1 . . . . A 24 LYS H . 36756 1 239 . 1 . 1 24 24 LYS HA H 1 3.912 0.000 . 1 . . . . A 24 LYS HA . 36756 1 240 . 1 . 1 24 24 LYS HB2 H 1 1.690 0.000 . . . . . . A 24 LYS HB2 . 36756 1 241 . 1 . 1 24 24 LYS HB3 H 1 1.739 0.000 . . . . . . A 24 LYS HB3 . 36756 1 242 . 1 . 1 24 24 LYS HD2 H 1 1.519 0.000 . . . . . . A 24 LYS HD2 . 36756 1 243 . 1 . 1 24 24 LYS HD3 H 1 1.517 0.000 . . . . . . A 24 LYS HD3 . 36756 1 244 . 1 . 1 24 24 LYS HE2 H 1 2.925 0.000 . . . . . . A 24 LYS HE2 . 36756 1 245 . 1 . 1 24 24 LYS HE3 H 1 2.924 0.000 . . . . . . A 24 LYS HE3 . 36756 1 246 . 1 . 1 24 24 LYS HG2 H 1 1.300 0.000 . . . . . . A 24 LYS HG2 . 36756 1 247 . 1 . 1 24 24 LYS HG3 H 1 1.294 0.000 . . . . . . A 24 LYS HG3 . 36756 1 248 . 1 . 1 24 24 LYS CA C 13 56.310 0.000 . 1 . . . . A 24 LYS CA . 36756 1 249 . 1 . 1 24 24 LYS CB C 13 29.065 0.000 . 1 . . . . A 24 LYS CB . 36756 1 250 . 1 . 1 24 24 LYS CD C 13 26.851 0.000 . 1 . . . . A 24 LYS CD . 36756 1 251 . 1 . 1 24 24 LYS CE C 13 39.410 0.000 . 1 . . . . A 24 LYS CE . 36756 1 252 . 1 . 1 24 24 LYS CG C 13 21.662 0.000 . 1 . . . . A 24 LYS CG . 36756 1 253 . 1 . 1 24 24 LYS N N 15 120.725 0.000 . 1 . . . . A 24 LYS N . 36756 1 254 . 1 . 1 25 25 GLU H H 1 6.931 0.000 . 1 . . . . A 25 GLU H . 36756 1 255 . 1 . 1 25 25 GLU HA H 1 4.141 0.000 . 1 . . . . A 25 GLU HA . 36756 1 256 . 1 . 1 25 25 GLU HB2 H 1 1.666 0.000 . . . . . . A 25 GLU HB2 . 36756 1 257 . 1 . 1 25 25 GLU HB3 H 1 2.105 0.000 . . . . . . A 25 GLU HB3 . 36756 1 258 . 1 . 1 25 25 GLU HG2 H 1 2.357 0.000 . . . . . . A 25 GLU HG2 . 36756 1 259 . 1 . 1 25 25 GLU HG3 H 1 2.206 0.000 . . . . . . A 25 GLU HG3 . 36756 1 260 . 1 . 1 25 25 GLU CA C 13 52.619 0.000 . 1 . . . . A 25 GLU CA . 36756 1 261 . 1 . 1 25 25 GLU CB C 13 27.014 0.000 . 1 . . . . A 25 GLU CB . 36756 1 262 . 1 . 1 25 25 GLU CG C 13 33.078 0.000 . 1 . . . . A 25 GLU CG . 36756 1 263 . 1 . 1 25 25 GLU N N 15 115.598 0.000 . 1 . . . . A 25 GLU N . 36756 1 264 . 1 . 1 26 26 GLY H H 1 7.583 0.000 . 1 . . . . A 26 GLY H . 36756 1 265 . 1 . 1 26 26 GLY HA2 H 1 3.567 0.000 . . . . . . A 26 GLY HA2 . 36756 1 266 . 1 . 1 26 26 GLY HA3 H 1 4.056 0.000 . . . . . . A 26 GLY HA3 . 36756 1 267 . 1 . 1 26 26 GLY CA C 13 42.276 0.000 . 1 . . . . A 26 GLY CA . 36756 1 268 . 1 . 1 26 26 GLY N N 15 105.036 0.000 . 1 . . . . A 26 GLY N . 36756 1 269 . 1 . 1 27 27 TYR H H 1 7.199 0.000 . 1 . . . . A 27 TYR H . 36756 1 270 . 1 . 1 27 27 TYR HA H 1 4.808 0.000 . 1 . . . . A 27 TYR HA . 36756 1 271 . 1 . 1 27 27 TYR HB2 H 1 2.861 0.000 . . . . . . A 27 TYR HB2 . 36756 1 272 . 1 . 1 27 27 TYR HB3 H 1 2.272 0.000 . . . . . . A 27 TYR HB3 . 36756 1 273 . 1 . 1 27 27 TYR CA C 13 54.106 0.000 . 1 . . . . A 27 TYR CA . 36756 1 274 . 1 . 1 27 27 TYR CB C 13 35.537 0.000 . 1 . . . . A 27 TYR CB . 36756 1 275 . 1 . 1 27 27 TYR N N 15 119.661 0.000 . 1 . . . . A 27 TYR N . 36756 1 276 . 1 . 1 28 28 GLU H H 1 8.602 0.000 . 1 . . . . A 28 GLU H . 36756 1 277 . 1 . 1 28 28 GLU HA H 1 4.473 0.000 . 1 . . . . A 28 GLU HA . 36756 1 278 . 1 . 1 28 28 GLU HB2 H 1 1.898 0.000 . . . . . . A 28 GLU HB2 . 36756 1 279 . 1 . 1 28 28 GLU HB3 H 1 1.838 0.000 . . . . . . A 28 GLU HB3 . 36756 1 280 . 1 . 1 28 28 GLU HG2 H 1 2.219 0.000 . . . . . . A 28 GLU HG2 . 36756 1 281 . 1 . 1 28 28 GLU HG3 H 1 2.076 0.000 . . . . . . A 28 GLU HG3 . 36756 1 282 . 1 . 1 28 28 GLU CA C 13 52.926 0.000 . 1 . . . . A 28 GLU CA . 36756 1 283 . 1 . 1 28 28 GLU CB C 13 28.552 0.000 . 1 . . . . A 28 GLU CB . 36756 1 284 . 1 . 1 28 28 GLU CG C 13 33.722 0.000 . 1 . . . . A 28 GLU CG . 36756 1 285 . 1 . 1 28 28 GLU N N 15 122.194 0.000 . 1 . . . . A 28 GLU N . 36756 1 286 . 1 . 1 29 29 VAL H H 1 8.532 0.000 . 1 . . . . A 29 VAL H . 36756 1 287 . 1 . 1 29 29 VAL HA H 1 4.869 0.000 . 1 . . . . A 29 VAL HA . 36756 1 288 . 1 . 1 29 29 VAL HB H 1 1.887 0.000 . 1 . . . . A 29 VAL HB . 36756 1 289 . 1 . 1 29 29 VAL HG11 H 1 0.895 0.000 . . . . . . A 29 VAL HG11 . 36756 1 290 . 1 . 1 29 29 VAL HG12 H 1 0.895 0.000 . . . . . . A 29 VAL HG12 . 36756 1 291 . 1 . 1 29 29 VAL HG13 H 1 0.895 0.000 . . . . . . A 29 VAL HG13 . 36756 1 292 . 1 . 1 29 29 VAL HG21 H 1 0.817 0.000 . . . . . . A 29 VAL HG21 . 36756 1 293 . 1 . 1 29 29 VAL HG22 H 1 0.817 0.000 . . . . . . A 29 VAL HG22 . 36756 1 294 . 1 . 1 29 29 VAL HG23 H 1 0.817 0.000 . . . . . . A 29 VAL HG23 . 36756 1 295 . 1 . 1 29 29 VAL CA C 13 58.720 0.000 . 1 . . . . A 29 VAL CA . 36756 1 296 . 1 . 1 29 29 VAL CB C 13 31.854 0.000 . 1 . . . . A 29 VAL CB . 36756 1 297 . 1 . 1 29 29 VAL CG1 C 13 20.796 0.000 . . . . . . A 29 VAL CG1 . 36756 1 298 . 1 . 1 29 29 VAL CG2 C 13 19.845 0.000 . . . . . . A 29 VAL CG2 . 36756 1 299 . 1 . 1 29 29 VAL N N 15 123.861 0.000 . 1 . . . . A 29 VAL N . 36756 1 300 . 1 . 1 30 30 ILE H H 1 8.985 0.000 . 1 . . . . A 30 ILE H . 36756 1 301 . 1 . 1 30 30 ILE HA H 1 4.322 0.000 . 1 . . . . A 30 ILE HA . 36756 1 302 . 1 . 1 30 30 ILE HB H 1 1.597 0.000 . 1 . . . . A 30 ILE HB . 36756 1 303 . 1 . 1 30 30 ILE HD11 H 1 0.436 0.000 . 1 . . . . A 30 ILE HD11 . 36756 1 304 . 1 . 1 30 30 ILE HD12 H 1 0.436 0.000 . 1 . . . . A 30 ILE HD12 . 36756 1 305 . 1 . 1 30 30 ILE HD13 H 1 0.436 0.000 . 1 . . . . A 30 ILE HD13 . 36756 1 306 . 1 . 1 30 30 ILE HG12 H 1 0.840 0.000 . . . . . . A 30 ILE HG12 . 36756 1 307 . 1 . 1 30 30 ILE HG13 H 1 0.963 0.000 . . . . . . A 30 ILE HG13 . 36756 1 308 . 1 . 1 30 30 ILE HG21 H 1 0.752 0.000 . 1 . . . . A 30 ILE HG21 . 36756 1 309 . 1 . 1 30 30 ILE HG22 H 1 0.752 0.000 . 1 . . . . A 30 ILE HG22 . 36756 1 310 . 1 . 1 30 30 ILE HG23 H 1 0.752 0.000 . 1 . . . . A 30 ILE HG23 . 36756 1 311 . 1 . 1 30 30 ILE CA C 13 57.578 0.000 . 1 . . . . A 30 ILE CA . 36756 1 312 . 1 . 1 30 30 ILE CB C 13 37.070 0.000 . 1 . . . . A 30 ILE CB . 36756 1 313 . 1 . 1 30 30 ILE CD1 C 13 11.206 0.000 . 1 . . . . A 30 ILE CD1 . 36756 1 314 . 1 . 1 30 30 ILE CG1 C 13 26.374 0.000 . 1 . . . . A 30 ILE CG1 . 36756 1 315 . 1 . 1 30 30 ILE CG2 C 13 16.860 0.000 . 1 . . . . A 30 ILE CG2 . 36756 1 316 . 1 . 1 30 30 ILE N N 15 131.494 0.000 . 1 . . . . A 30 ILE N . 36756 1 317 . 1 . 1 31 31 GLU H H 1 8.725 0.000 . 1 . . . . A 31 GLU H . 36756 1 318 . 1 . 1 31 31 GLU HA H 1 5.072 0.000 . 1 . . . . A 31 GLU HA . 36756 1 319 . 1 . 1 31 31 GLU HB2 H 1 1.877 0.000 . . . . . . A 31 GLU HB2 . 36756 1 320 . 1 . 1 31 31 GLU HB3 H 1 1.800 0.000 . . . . . . A 31 GLU HB3 . 36756 1 321 . 1 . 1 31 31 GLU HG2 H 1 2.225 0.000 . . . . . . A 31 GLU HG2 . 36756 1 322 . 1 . 1 31 31 GLU HG3 H 1 1.912 0.000 . . . . . . A 31 GLU HG3 . 36756 1 323 . 1 . 1 31 31 GLU CA C 13 53.396 0.000 . 1 . . . . A 31 GLU CA . 36756 1 324 . 1 . 1 31 31 GLU CB C 13 30.839 0.000 . 1 . . . . A 31 GLU CB . 36756 1 325 . 1 . 1 31 31 GLU CG C 13 35.378 0.000 . 1 . . . . A 31 GLU CG . 36756 1 326 . 1 . 1 31 31 GLU N N 15 125.888 0.000 . 1 . . . . A 31 GLU N . 36756 1 327 . 1 . 1 32 32 ALA H H 1 8.789 0.000 . 1 . . . . A 32 ALA H . 36756 1 328 . 1 . 1 32 32 ALA HA H 1 4.517 0.000 . 1 . . . . A 32 ALA HA . 36756 1 329 . 1 . 1 32 32 ALA HB1 H 1 1.238 0.000 . 1 . . . . A 32 ALA HB1 . 36756 1 330 . 1 . 1 32 32 ALA HB2 H 1 1.238 0.000 . 1 . . . . A 32 ALA HB2 . 36756 1 331 . 1 . 1 32 32 ALA HB3 H 1 1.238 0.000 . 1 . . . . A 32 ALA HB3 . 36756 1 332 . 1 . 1 32 32 ALA CA C 13 48.585 0.000 . 1 . . . . A 32 ALA CA . 36756 1 333 . 1 . 1 32 32 ALA CB C 13 20.231 0.000 . 1 . . . . A 32 ALA CB . 36756 1 334 . 1 . 1 32 32 ALA N N 15 120.808 0.000 . 1 . . . . A 32 ALA N . 36756 1 335 . 1 . 1 33 33 GLU H H 1 8.983 0.000 . 1 . . . . A 33 GLU H . 36756 1 336 . 1 . 1 33 33 GLU HA H 1 4.429 0.000 . 1 . . . . A 33 GLU HA . 36756 1 337 . 1 . 1 33 33 GLU HB2 H 1 1.940 0.000 . . . . . . A 33 GLU HB2 . 36756 1 338 . 1 . 1 33 33 GLU HB3 H 1 2.094 0.000 . . . . . . A 33 GLU HB3 . 36756 1 339 . 1 . 1 33 33 GLU HG2 H 1 2.078 0.000 . . . . . . A 33 GLU HG2 . 36756 1 340 . 1 . 1 33 33 GLU HG3 H 1 2.274 0.000 . . . . . . A 33 GLU HG3 . 36756 1 341 . 1 . 1 33 33 GLU CA C 13 54.501 0.000 . 1 . . . . A 33 GLU CA . 36756 1 342 . 1 . 1 33 33 GLU CB C 13 27.448 0.000 . 1 . . . . A 33 GLU CB . 36756 1 343 . 1 . 1 33 33 GLU CG C 13 33.493 0.000 . 1 . . . . A 33 GLU CG . 36756 1 344 . 1 . 1 33 33 GLU N N 15 118.352 0.000 . 1 . . . . A 33 GLU N . 36756 1 345 . 1 . 1 34 34 ASN H H 1 7.235 0.000 . 1 . . . . A 34 ASN H . 36756 1 346 . 1 . 1 34 34 ASN HA H 1 5.401 0.000 . 1 . . . . A 34 ASN HA . 36756 1 347 . 1 . 1 34 34 ASN HB2 H 1 3.405 0.000 . . . . . . A 34 ASN HB2 . 36756 1 348 . 1 . 1 34 34 ASN HB3 H 1 3.049 0.000 . . . . . . A 34 ASN HB3 . 36756 1 349 . 1 . 1 34 34 ASN CA C 13 50.636 0.000 . 1 . . . . A 34 ASN CA . 36756 1 350 . 1 . 1 34 34 ASN CB C 13 37.090 0.000 . 1 . . . . A 34 ASN CB . 36756 1 351 . 1 . 1 34 34 ASN N N 15 108.653 0.000 . 1 . . . . A 34 ASN N . 36756 1 352 . 1 . 1 35 35 GLY H H 1 7.509 0.000 . 1 . . . . A 35 GLY H . 36756 1 353 . 1 . 1 35 35 GLY HA2 H 1 3.395 0.000 . . . . . . A 35 GLY HA2 . 36756 1 354 . 1 . 1 35 35 GLY HA3 H 1 3.347 0.000 . . . . . . A 35 GLY HA3 . 36756 1 355 . 1 . 1 35 35 GLY CA C 13 45.932 0.000 . 1 . . . . A 35 GLY CA . 36756 1 356 . 1 . 1 35 35 GLY N N 15 102.984 0.000 . 1 . . . . A 35 GLY N . 36756 1 357 . 1 . 1 36 36 GLN H H 1 8.011 0.000 . 1 . . . . A 36 GLN H . 36756 1 358 . 1 . 1 36 36 GLN HA H 1 4.021 0.000 . 1 . . . . A 36 GLN HA . 36756 1 359 . 1 . 1 36 36 GLN HB2 H 1 2.183 0.000 . . . . . . A 36 GLN HB2 . 36756 1 360 . 1 . 1 36 36 GLN HB3 H 1 1.911 0.000 . . . . . . A 36 GLN HB3 . 36756 1 361 . 1 . 1 36 36 GLN HG2 H 1 2.256 0.000 . . . . . . A 36 GLN HG2 . 36756 1 362 . 1 . 1 36 36 GLN HG3 H 1 2.251 0.000 . . . . . . A 36 GLN HG3 . 36756 1 363 . 1 . 1 36 36 GLN CA C 13 56.196 0.000 . 1 . . . . A 36 GLN CA . 36756 1 364 . 1 . 1 36 36 GLN CB C 13 26.147 0.000 . 1 . . . . A 36 GLN CB . 36756 1 365 . 1 . 1 36 36 GLN CG C 13 31.184 0.000 . 1 . . . . A 36 GLN CG . 36756 1 366 . 1 . 1 36 36 GLN N N 15 123.129 0.000 . 1 . . . . A 36 GLN N . 36756 1 367 . 1 . 1 37 37 ILE H H 1 7.977 0.000 . 1 . . . . A 37 ILE H . 36756 1 368 . 1 . 1 37 37 ILE HA H 1 3.770 0.000 . 1 . . . . A 37 ILE HA . 36756 1 369 . 1 . 1 37 37 ILE HB H 1 1.582 0.000 . 1 . . . . A 37 ILE HB . 36756 1 370 . 1 . 1 37 37 ILE HD11 H 1 0.871 0.000 . 1 . . . . A 37 ILE HD11 . 36756 1 371 . 1 . 1 37 37 ILE HD12 H 1 0.871 0.000 . 1 . . . . A 37 ILE HD12 . 36756 1 372 . 1 . 1 37 37 ILE HD13 H 1 0.871 0.000 . 1 . . . . A 37 ILE HD13 . 36756 1 373 . 1 . 1 37 37 ILE HG12 H 1 1.678 0.000 . . . . . . A 37 ILE HG12 . 36756 1 374 . 1 . 1 37 37 ILE HG13 H 1 1.290 0.000 . . . . . . A 37 ILE HG13 . 36756 1 375 . 1 . 1 37 37 ILE HG21 H 1 1.106 0.000 . 1 . . . . A 37 ILE HG21 . 36756 1 376 . 1 . 1 37 37 ILE HG22 H 1 1.106 0.000 . 1 . . . . A 37 ILE HG22 . 36756 1 377 . 1 . 1 37 37 ILE HG23 H 1 1.106 0.000 . 1 . . . . A 37 ILE HG23 . 36756 1 378 . 1 . 1 37 37 ILE CA C 13 60.771 0.000 . 1 . . . . A 37 ILE CA . 36756 1 379 . 1 . 1 37 37 ILE CB C 13 35.651 0.000 . 1 . . . . A 37 ILE CB . 36756 1 380 . 1 . 1 37 37 ILE CD1 C 13 10.206 0.000 . 1 . . . . A 37 ILE CD1 . 36756 1 381 . 1 . 1 37 37 ILE CG1 C 13 25.718 0.000 . 1 . . . . A 37 ILE CG1 . 36756 1 382 . 1 . 1 37 37 ILE CG2 C 13 14.924 0.000 . 1 . . . . A 37 ILE CG2 . 36756 1 383 . 1 . 1 37 37 ILE N N 15 120.368 0.000 . 1 . . . . A 37 ILE N . 36756 1 384 . 1 . 1 38 38 ALA H H 1 7.554 0.000 . 1 . . . . A 38 ALA H . 36756 1 385 . 1 . 1 38 38 ALA HA H 1 3.582 0.000 . 1 . . . . A 38 ALA HA . 36756 1 386 . 1 . 1 38 38 ALA HB1 H 1 1.312 0.000 . 1 . . . . A 38 ALA HB1 . 36756 1 387 . 1 . 1 38 38 ALA HB2 H 1 1.312 0.000 . 1 . . . . A 38 ALA HB2 . 36756 1 388 . 1 . 1 38 38 ALA HB3 H 1 1.312 0.000 . 1 . . . . A 38 ALA HB3 . 36756 1 389 . 1 . 1 38 38 ALA CA C 13 53.357 0.000 . 1 . . . . A 38 ALA CA . 36756 1 390 . 1 . 1 38 38 ALA CB C 13 16.051 0.000 . 1 . . . . A 38 ALA CB . 36756 1 391 . 1 . 1 38 38 ALA N N 15 120.421 0.000 . 1 . . . . A 38 ALA N . 36756 1 392 . 1 . 1 39 39 LEU H H 1 7.442 0.000 . 1 . . . . A 39 LEU H . 36756 1 393 . 1 . 1 39 39 LEU HA H 1 3.693 0.000 . 1 . . . . A 39 LEU HA . 36756 1 394 . 1 . 1 39 39 LEU HB2 H 1 1.887 0.000 . . . . . . A 39 LEU HB2 . 36756 1 395 . 1 . 1 39 39 LEU HB3 H 1 1.430 0.000 . . . . . . A 39 LEU HB3 . 36756 1 396 . 1 . 1 39 39 LEU HD11 H 1 0.187 0.000 . . . . . . A 39 LEU HD11 . 36756 1 397 . 1 . 1 39 39 LEU HD12 H 1 0.187 0.000 . . . . . . A 39 LEU HD12 . 36756 1 398 . 1 . 1 39 39 LEU HD13 H 1 0.187 0.000 . . . . . . A 39 LEU HD13 . 36756 1 399 . 1 . 1 39 39 LEU HD21 H 1 0.317 0.000 . . . . . . A 39 LEU HD21 . 36756 1 400 . 1 . 1 39 39 LEU HD22 H 1 0.317 0.000 . . . . . . A 39 LEU HD22 . 36756 1 401 . 1 . 1 39 39 LEU HD23 H 1 0.317 0.000 . . . . . . A 39 LEU HD23 . 36756 1 402 . 1 . 1 39 39 LEU HG H 1 1.188 0.000 . 1 . . . . A 39 LEU HG . 36756 1 403 . 1 . 1 39 39 LEU CA C 13 54.998 0.000 . 1 . . . . A 39 LEU CA . 36756 1 404 . 1 . 1 39 39 LEU CB C 13 38.406 0.000 . 1 . . . . A 39 LEU CB . 36756 1 405 . 1 . 1 39 39 LEU CD1 C 13 21.712 0.000 . . . . . . A 39 LEU CD1 . 36756 1 406 . 1 . 1 39 39 LEU CD2 C 13 20.276 0.000 . . . . . . A 39 LEU CD2 . 36756 1 407 . 1 . 1 39 39 LEU CG C 13 24.209 0.000 . 1 . . . . A 39 LEU CG . 36756 1 408 . 1 . 1 39 39 LEU N N 15 115.197 0.000 . 1 . . . . A 39 LEU N . 36756 1 409 . 1 . 1 40 40 GLU H H 1 7.782 0.000 . 1 . . . . A 40 GLU H . 36756 1 410 . 1 . 1 40 40 GLU HA H 1 4.064 0.000 . 1 . . . . A 40 GLU HA . 36756 1 411 . 1 . 1 40 40 GLU HB2 H 1 2.297 0.000 . . . . . . A 40 GLU HB2 . 36756 1 412 . 1 . 1 40 40 GLU HB3 H 1 2.096 0.000 . . . . . . A 40 GLU HB3 . 36756 1 413 . 1 . 1 40 40 GLU HG2 H 1 2.486 0.000 . . . . . . A 40 GLU HG2 . 36756 1 414 . 1 . 1 40 40 GLU HG3 H 1 2.194 0.000 . . . . . . A 40 GLU HG3 . 36756 1 415 . 1 . 1 40 40 GLU CA C 13 57.103 0.000 . 1 . . . . A 40 GLU CA . 36756 1 416 . 1 . 1 40 40 GLU CB C 13 26.462 0.000 . 1 . . . . A 40 GLU CB . 36756 1 417 . 1 . 1 40 40 GLU CG C 13 33.710 0.000 . 1 . . . . A 40 GLU CG . 36756 1 418 . 1 . 1 40 40 GLU N N 15 120.705 0.000 . 1 . . . . A 40 GLU N . 36756 1 419 . 1 . 1 41 41 LYS H H 1 8.398 0.000 . 1 . . . . A 41 LYS H . 36756 1 420 . 1 . 1 41 41 LYS HA H 1 4.162 0.000 . 1 . . . . A 41 LYS HA . 36756 1 421 . 1 . 1 41 41 LYS HB2 H 1 1.740 0.000 . . . . . . A 41 LYS HB2 . 36756 1 422 . 1 . 1 41 41 LYS HB3 H 1 2.137 0.000 . . . . . . A 41 LYS HB3 . 36756 1 423 . 1 . 1 41 41 LYS HD2 H 1 1.645 0.000 . . . . . . A 41 LYS HD2 . 36756 1 424 . 1 . 1 41 41 LYS HD3 H 1 1.444 0.000 . . . . . . A 41 LYS HD3 . 36756 1 425 . 1 . 1 41 41 LYS HG2 H 1 1.689 0.000 . . . . . . A 41 LYS HG2 . 36756 1 426 . 1 . 1 41 41 LYS HG3 H 1 1.537 0.000 . . . . . . A 41 LYS HG3 . 36756 1 427 . 1 . 1 41 41 LYS CA C 13 55.836 0.000 . 1 . . . . A 41 LYS CA . 36756 1 428 . 1 . 1 41 41 LYS CB C 13 29.104 0.000 . 1 . . . . A 41 LYS CB . 36756 1 429 . 1 . 1 41 41 LYS CD C 13 25.508 0.000 . 1 . . . . A 41 LYS CD . 36756 1 430 . 1 . 1 41 41 LYS CE C 13 39.585 0.000 . 1 . . . . A 41 LYS CE . 36756 1 431 . 1 . 1 41 41 LYS CG C 13 22.350 0.000 . 1 . . . . A 41 LYS CG . 36756 1 432 . 1 . 1 41 41 LYS N N 15 119.982 0.000 . 1 . . . . A 41 LYS N . 36756 1 433 . 1 . 1 42 42 LEU H H 1 7.790 0.000 . 1 . . . . A 42 LEU H . 36756 1 434 . 1 . 1 42 42 LEU HA H 1 4.353 0.000 . 1 . . . . A 42 LEU HA . 36756 1 435 . 1 . 1 42 42 LEU HB2 H 1 1.012 0.000 . . . . . . A 42 LEU HB2 . 36756 1 436 . 1 . 1 42 42 LEU HB3 H 1 1.430 0.000 . . . . . . A 42 LEU HB3 . 36756 1 437 . 1 . 1 42 42 LEU HD11 H 1 0.033 0.000 . . . . . . A 42 LEU HD11 . 36756 1 438 . 1 . 1 42 42 LEU HD12 H 1 0.033 0.000 . . . . . . A 42 LEU HD12 . 36756 1 439 . 1 . 1 42 42 LEU HD13 H 1 0.033 0.000 . . . . . . A 42 LEU HD13 . 36756 1 440 . 1 . 1 42 42 LEU HD21 H 1 0.036 0.000 . . . . . . A 42 LEU HD21 . 36756 1 441 . 1 . 1 42 42 LEU HD22 H 1 0.036 0.000 . . . . . . A 42 LEU HD22 . 36756 1 442 . 1 . 1 42 42 LEU HD23 H 1 0.036 0.000 . . . . . . A 42 LEU HD23 . 36756 1 443 . 1 . 1 42 42 LEU HG H 1 1.239 0.000 . 1 . . . . A 42 LEU HG . 36756 1 444 . 1 . 1 42 42 LEU CA C 13 53.703 0.000 . 1 . . . . A 42 LEU CA . 36756 1 445 . 1 . 1 42 42 LEU CB C 13 38.293 0.000 . 1 . . . . A 42 LEU CB . 36756 1 446 . 1 . 1 42 42 LEU CD1 C 13 21.010 0.000 . . . . . . A 42 LEU CD1 . 36756 1 447 . 1 . 1 42 42 LEU CD2 C 13 21.803 0.000 . . . . . . A 42 LEU CD2 . 36756 1 448 . 1 . 1 42 42 LEU CG C 13 23.764 0.000 . 1 . . . . A 42 LEU CG . 36756 1 449 . 1 . 1 42 42 LEU N N 15 118.856 0.000 . 1 . . . . A 42 LEU N . 36756 1 450 . 1 . 1 43 43 SER H H 1 7.507 0.000 . 1 . . . . A 43 SER H . 36756 1 451 . 1 . 1 43 43 SER HA H 1 4.095 0.000 . 1 . . . . A 43 SER HA . 36756 1 452 . 1 . 1 43 43 SER HB2 H 1 3.696 0.000 . . . . . . A 43 SER HB2 . 36756 1 453 . 1 . 1 43 43 SER HB3 H 1 3.681 0.000 . . . . . . A 43 SER HB3 . 36756 1 454 . 1 . 1 43 43 SER CA C 13 58.089 0.000 . 1 . . . . A 43 SER CA . 36756 1 455 . 1 . 1 43 43 SER CB C 13 60.982 0.000 . 1 . . . . A 43 SER CB . 36756 1 456 . 1 . 1 43 43 SER N N 15 112.399 0.000 . 1 . . . . A 43 SER N . 36756 1 457 . 1 . 1 44 44 GLU H H 1 7.802 0.000 . 1 . . . . A 44 GLU H . 36756 1 458 . 1 . 1 44 44 GLU HA H 1 4.464 0.000 . 1 . . . . A 44 GLU HA . 36756 1 459 . 1 . 1 44 44 GLU HB2 H 1 2.154 0.000 . . . . . . A 44 GLU HB2 . 36756 1 460 . 1 . 1 44 44 GLU HB3 H 1 2.234 0.000 . . . . . . A 44 GLU HB3 . 36756 1 461 . 1 . 1 44 44 GLU HG2 H 1 2.187 0.000 . . . . . . A 44 GLU HG2 . 36756 1 462 . 1 . 1 44 44 GLU HG3 H 1 2.372 0.000 . . . . . . A 44 GLU HG3 . 36756 1 463 . 1 . 1 44 44 GLU CA C 13 54.185 0.000 . 1 . . . . A 44 GLU CA . 36756 1 464 . 1 . 1 44 44 GLU CB C 13 29.109 0.000 . 1 . . . . A 44 GLU CB . 36756 1 465 . 1 . 1 44 44 GLU CG C 13 33.595 0.000 . 1 . . . . A 44 GLU CG . 36756 1 466 . 1 . 1 44 44 GLU N N 15 119.792 0.000 . 1 . . . . A 44 GLU N . 36756 1 467 . 1 . 1 45 45 PHE H H 1 8.063 0.000 . 1 . . . . A 45 PHE H . 36756 1 468 . 1 . 1 45 45 PHE HA H 1 4.866 0.000 . 1 . . . . A 45 PHE HA . 36756 1 469 . 1 . 1 45 45 PHE HB2 H 1 3.171 0.000 . . . . . . A 45 PHE HB2 . 36756 1 470 . 1 . 1 45 45 PHE HB3 H 1 2.978 0.000 . . . . . . A 45 PHE HB3 . 36756 1 471 . 1 . 1 45 45 PHE CA C 13 53.278 0.000 . 1 . . . . A 45 PHE CA . 36756 1 472 . 1 . 1 45 45 PHE CB C 13 38.174 0.000 . 1 . . . . A 45 PHE CB . 36756 1 473 . 1 . 1 45 45 PHE N N 15 119.151 0.000 . 1 . . . . A 45 PHE N . 36756 1 474 . 1 . 1 46 46 THR H H 1 8.329 0.000 . 1 . . . . A 46 THR H . 36756 1 475 . 1 . 1 46 46 THR CA C 13 55.821 0.000 . 1 . . . . A 46 THR CA . 36756 1 476 . 1 . 1 46 46 THR CB C 13 67.120 0.000 . 1 . . . . A 46 THR CB . 36756 1 477 . 1 . 1 46 46 THR N N 15 115.955 0.000 . 1 . . . . A 46 THR N . 36756 1 478 . 1 . 1 48 48 ASP H H 1 8.832 0.000 . 1 . . . . A 48 ASP H . 36756 1 479 . 1 . 1 48 48 ASP HA H 1 4.528 0.000 . 1 . . . . A 48 ASP HA . 36756 1 480 . 1 . 1 48 48 ASP HB2 H 1 2.613 0.000 . . . . . . A 48 ASP HB2 . 36756 1 481 . 1 . 1 48 48 ASP HB3 H 1 2.378 0.000 . . . . . . A 48 ASP HB3 . 36756 1 482 . 1 . 1 48 48 ASP CA C 13 53.594 0.000 . 1 . . . . A 48 ASP CA . 36756 1 483 . 1 . 1 48 48 ASP CB C 13 40.738 0.000 . 1 . . . . A 48 ASP CB . 36756 1 484 . 1 . 1 48 48 ASP N N 15 116.597 0.000 . 1 . . . . A 48 ASP N . 36756 1 485 . 1 . 1 49 49 LEU H H 1 7.310 0.000 . 1 . . . . A 49 LEU H . 36756 1 486 . 1 . 1 49 49 LEU HA H 1 4.520 0.000 . 1 . . . . A 49 LEU HA . 36756 1 487 . 1 . 1 49 49 LEU HB2 H 1 1.204 0.000 . . . . . . A 49 LEU HB2 . 36756 1 488 . 1 . 1 49 49 LEU HB3 H 1 1.587 0.000 . . . . . . A 49 LEU HB3 . 36756 1 489 . 1 . 1 49 49 LEU HD11 H 1 0.748 0.000 . . . . . . A 49 LEU HD11 . 36756 1 490 . 1 . 1 49 49 LEU HD12 H 1 0.748 0.000 . . . . . . A 49 LEU HD12 . 36756 1 491 . 1 . 1 49 49 LEU HD13 H 1 0.748 0.000 . . . . . . A 49 LEU HD13 . 36756 1 492 . 1 . 1 49 49 LEU HD21 H 1 1.388 0.000 . . . . . . A 49 LEU HD21 . 36756 1 493 . 1 . 1 49 49 LEU HD22 H 1 1.388 0.000 . . . . . . A 49 LEU HD22 . 36756 1 494 . 1 . 1 49 49 LEU HD23 H 1 1.388 0.000 . . . . . . A 49 LEU HD23 . 36756 1 495 . 1 . 1 49 49 LEU HG H 1 0.555 0.000 . 1 . . . . A 49 LEU HG . 36756 1 496 . 1 . 1 49 49 LEU CA C 13 52.146 0.000 . 1 . . . . A 49 LEU CA . 36756 1 497 . 1 . 1 49 49 LEU CB C 13 43.538 0.000 . 1 . . . . A 49 LEU CB . 36756 1 498 . 1 . 1 49 49 LEU CD1 C 13 22.464 0.000 . . . . . . A 49 LEU CD1 . 36756 1 499 . 1 . 1 49 49 LEU CD2 C 13 24.438 0.000 . . . . . . A 49 LEU CD2 . 36756 1 500 . 1 . 1 49 49 LEU CG C 13 25.435 0.000 . 1 . . . . A 49 LEU CG . 36756 1 501 . 1 . 1 49 49 LEU N N 15 115.948 0.000 . 1 . . . . A 49 LEU N . 36756 1 502 . 1 . 1 50 50 ILE H H 1 8.451 0.000 . 1 . . . . A 50 ILE H . 36756 1 503 . 1 . 1 50 50 ILE HA H 1 4.991 0.000 . 1 . . . . A 50 ILE HA . 36756 1 504 . 1 . 1 50 50 ILE HB H 1 1.628 0.000 . 1 . . . . A 50 ILE HB . 36756 1 505 . 1 . 1 50 50 ILE HD11 H 1 0.574 0.000 . 1 . . . . A 50 ILE HD11 . 36756 1 506 . 1 . 1 50 50 ILE HD12 H 1 0.574 0.000 . 1 . . . . A 50 ILE HD12 . 36756 1 507 . 1 . 1 50 50 ILE HD13 H 1 0.574 0.000 . 1 . . . . A 50 ILE HD13 . 36756 1 508 . 1 . 1 50 50 ILE HG12 H 1 1.507 0.000 . . . . . . A 50 ILE HG12 . 36756 1 509 . 1 . 1 50 50 ILE HG13 H 1 0.808 0.000 . . . . . . A 50 ILE HG13 . 36756 1 510 . 1 . 1 50 50 ILE HG21 H 1 0.702 0.000 . 1 . . . . A 50 ILE HG21 . 36756 1 511 . 1 . 1 50 50 ILE HG22 H 1 0.702 0.000 . 1 . . . . A 50 ILE HG22 . 36756 1 512 . 1 . 1 50 50 ILE HG23 H 1 0.702 0.000 . 1 . . . . A 50 ILE HG23 . 36756 1 513 . 1 . 1 50 50 ILE CA C 13 57.379 0.000 . 1 . . . . A 50 ILE CA . 36756 1 514 . 1 . 1 50 50 ILE CB C 13 38.275 0.000 . 1 . . . . A 50 ILE CB . 36756 1 515 . 1 . 1 50 50 ILE CD1 C 13 11.560 0.000 . 1 . . . . A 50 ILE CD1 . 36756 1 516 . 1 . 1 50 50 ILE CG1 C 13 25.799 0.000 . 1 . . . . A 50 ILE CG1 . 36756 1 517 . 1 . 1 50 50 ILE CG2 C 13 14.574 0.000 . 1 . . . . A 50 ILE CG2 . 36756 1 518 . 1 . 1 50 50 ILE N N 15 125.740 0.000 . 1 . . . . A 50 ILE N . 36756 1 519 . 1 . 1 51 51 VAL H H 1 9.005 0.000 . 1 . . . . A 51 VAL H . 36756 1 520 . 1 . 1 51 51 VAL HA H 1 4.793 0.000 . 1 . . . . A 51 VAL HA . 36756 1 521 . 1 . 1 51 51 VAL HB H 1 1.990 0.000 . 1 . . . . A 51 VAL HB . 36756 1 522 . 1 . 1 51 51 VAL HG11 H 1 0.841 0.000 . . . . . . A 51 VAL HG11 . 36756 1 523 . 1 . 1 51 51 VAL HG12 H 1 0.841 0.000 . . . . . . A 51 VAL HG12 . 36756 1 524 . 1 . 1 51 51 VAL HG13 H 1 0.841 0.000 . . . . . . A 51 VAL HG13 . 36756 1 525 . 1 . 1 51 51 VAL HG21 H 1 0.802 0.000 . . . . . . A 51 VAL HG21 . 36756 1 526 . 1 . 1 51 51 VAL HG22 H 1 0.802 0.000 . . . . . . A 51 VAL HG22 . 36756 1 527 . 1 . 1 51 51 VAL HG23 H 1 0.802 0.000 . . . . . . A 51 VAL HG23 . 36756 1 528 . 1 . 1 51 51 VAL CA C 13 58.641 0.000 . 1 . . . . A 51 VAL CA . 36756 1 529 . 1 . 1 51 51 VAL CB C 13 30.248 0.000 . 1 . . . . A 51 VAL CB . 36756 1 530 . 1 . 1 51 51 VAL CG1 C 13 19.015 0.000 . . . . . . A 51 VAL CG1 . 36756 1 531 . 1 . 1 51 51 VAL CG2 C 13 18.146 0.000 . . . . . . A 51 VAL CG2 . 36756 1 532 . 1 . 1 51 51 VAL N N 15 129.176 0.000 . 1 . . . . A 51 VAL N . 36756 1 533 . 1 . 1 52 52 LEU H H 1 9.279 0.000 . 1 . . . . A 52 LEU H . 36756 1 534 . 1 . 1 52 52 LEU HA H 1 4.945 0.000 . 1 . . . . A 52 LEU HA . 36756 1 535 . 1 . 1 52 52 LEU HB2 H 1 1.717 0.000 . . . . . . A 52 LEU HB2 . 36756 1 536 . 1 . 1 52 52 LEU HB3 H 1 0.861 0.000 . . . . . . A 52 LEU HB3 . 36756 1 537 . 1 . 1 52 52 LEU HD11 H 1 0.715 0.000 . . . . . . A 52 LEU HD11 . 36756 1 538 . 1 . 1 52 52 LEU HD12 H 1 0.715 0.000 . . . . . . A 52 LEU HD12 . 36756 1 539 . 1 . 1 52 52 LEU HD13 H 1 0.715 0.000 . . . . . . A 52 LEU HD13 . 36756 1 540 . 1 . 1 52 52 LEU HD21 H 1 0.713 0.000 . . . . . . A 52 LEU HD21 . 36756 1 541 . 1 . 1 52 52 LEU HD22 H 1 0.713 0.000 . . . . . . A 52 LEU HD22 . 36756 1 542 . 1 . 1 52 52 LEU HD23 H 1 0.713 0.000 . . . . . . A 52 LEU HD23 . 36756 1 543 . 1 . 1 52 52 LEU HG H 1 0.715 0.000 . 1 . . . . A 52 LEU HG . 36756 1 544 . 1 . 1 52 52 LEU CA C 13 51.030 0.000 . 1 . . . . A 52 LEU CA . 36756 1 545 . 1 . 1 52 52 LEU CB C 13 45.628 0.000 . 1 . . . . A 52 LEU CB . 36756 1 546 . 1 . 1 52 52 LEU CD1 C 13 21.680 0.000 . . . . . . A 52 LEU CD1 . 36756 1 547 . 1 . 1 52 52 LEU CD2 C 13 23.504 0.000 . . . . . . A 52 LEU CD2 . 36756 1 548 . 1 . 1 52 52 LEU CG C 13 23.674 0.000 . 1 . . . . A 52 LEU CG . 36756 1 549 . 1 . 1 52 52 LEU N N 15 130.302 0.000 . 1 . . . . A 52 LEU N . 36756 1 550 . 1 . 1 53 53 ASP H H 1 8.549 0.000 . 1 . . . . A 53 ASP H . 36756 1 551 . 1 . 1 53 53 ASP HA H 1 4.931 0.000 . 1 . . . . A 53 ASP HA . 36756 1 552 . 1 . 1 53 53 ASP HB2 H 1 3.314 0.000 . . . . . . A 53 ASP HB2 . 36756 1 553 . 1 . 1 53 53 ASP HB3 H 1 2.883 0.000 . . . . . . A 53 ASP HB3 . 36756 1 554 . 1 . 1 53 53 ASP CA C 13 51.437 0.000 . 1 . . . . A 53 ASP CA . 36756 1 555 . 1 . 1 53 53 ASP CB C 13 41.605 0.000 . 1 . . . . A 53 ASP CB . 36756 1 556 . 1 . 1 53 53 ASP N N 15 128.284 0.000 . 1 . . . . A 53 ASP N . 36756 1 557 . 1 . 1 54 54 ILE H H 1 7.458 0.000 . 1 . . . . A 54 ILE H . 36756 1 558 . 1 . 1 54 54 ILE HA H 1 3.678 0.000 . 1 . . . . A 54 ILE HA . 36756 1 559 . 1 . 1 54 54 ILE HB H 1 1.913 0.000 . 1 . . . . A 54 ILE HB . 36756 1 560 . 1 . 1 54 54 ILE HD11 H 1 0.055 0.000 . 1 . . . . A 54 ILE HD11 . 36756 1 561 . 1 . 1 54 54 ILE HD12 H 1 0.055 0.000 . 1 . . . . A 54 ILE HD12 . 36756 1 562 . 1 . 1 54 54 ILE HD13 H 1 0.055 0.000 . 1 . . . . A 54 ILE HD13 . 36756 1 563 . 1 . 1 54 54 ILE HG12 H 1 1.026 0.000 . . . . . . A 54 ILE HG12 . 36756 1 564 . 1 . 1 54 54 ILE HG13 H 1 1.014 0.000 . . . . . . A 54 ILE HG13 . 36756 1 565 . 1 . 1 54 54 ILE HG21 H 1 0.411 0.000 . 1 . . . . A 54 ILE HG21 . 36756 1 566 . 1 . 1 54 54 ILE HG22 H 1 0.411 0.000 . 1 . . . . A 54 ILE HG22 . 36756 1 567 . 1 . 1 54 54 ILE HG23 H 1 0.411 0.000 . 1 . . . . A 54 ILE HG23 . 36756 1 568 . 1 . 1 54 54 ILE CA C 13 60.258 0.000 . 1 . . . . A 54 ILE CA . 36756 1 569 . 1 . 1 54 54 ILE CB C 13 33.889 0.000 . 1 . . . . A 54 ILE CB . 36756 1 570 . 1 . 1 54 54 ILE CD1 C 13 7.403 0.000 . 1 . . . . A 54 ILE CD1 . 36756 1 571 . 1 . 1 54 54 ILE CG1 C 13 24.525 0.000 . 1 . . . . A 54 ILE CG1 . 36756 1 572 . 1 . 1 54 54 ILE CG2 C 13 16.026 0.000 . 1 . . . . A 54 ILE CG2 . 36756 1 573 . 1 . 1 54 54 ILE N N 15 118.547 0.000 . 1 . . . . A 54 ILE N . 36756 1 574 . 1 . 1 55 55 MET H H 1 8.118 0.000 . 1 . . . . A 55 MET H . 36756 1 575 . 1 . 1 55 55 MET HA H 1 4.604 0.000 . 1 . . . . A 55 MET HA . 36756 1 576 . 1 . 1 55 55 MET HB2 H 1 2.084 0.000 . . . . . . A 55 MET HB2 . 36756 1 577 . 1 . 1 55 55 MET HB3 H 1 2.000 0.000 . . . . . . A 55 MET HB3 . 36756 1 578 . 1 . 1 55 55 MET CA C 13 53.492 0.000 . 1 . . . . A 55 MET CA . 36756 1 579 . 1 . 1 55 55 MET CB C 13 28.038 0.000 . 1 . . . . A 55 MET CB . 36756 1 580 . 1 . 1 55 55 MET N N 15 117.939 0.000 . 1 . . . . A 55 MET N . 36756 1 581 . 1 . 1 56 56 MET H H 1 7.269 0.000 . 1 . . . . A 56 MET H . 36756 1 582 . 1 . 1 56 56 MET HB2 H 1 1.983 0.000 . . . . . . A 56 MET HB2 . 36756 1 583 . 1 . 1 56 56 MET HB3 H 1 2.074 0.000 . . . . . . A 56 MET HB3 . 36756 1 584 . 1 . 1 56 56 MET HE1 H 1 1.905 0.000 . 1 . . . . A 56 MET HE1 . 36756 1 585 . 1 . 1 56 56 MET HE2 H 1 1.905 0.000 . 1 . . . . A 56 MET HE2 . 36756 1 586 . 1 . 1 56 56 MET HE3 H 1 1.905 0.000 . 1 . . . . A 56 MET HE3 . 36756 1 587 . 1 . 1 56 56 MET CA C 13 51.070 0.000 . 1 . . . . A 56 MET CA . 36756 1 588 . 1 . 1 56 56 MET CB C 13 35.493 0.000 . 1 . . . . A 56 MET CB . 36756 1 589 . 1 . 1 56 56 MET CE C 13 13.455 0.000 . 1 . . . . A 56 MET CE . 36756 1 590 . 1 . 1 56 56 MET N N 15 127.954 0.000 . 1 . . . . A 56 MET N . 36756 1 591 . 1 . 1 58 58 VAL H H 1 8.432 0.000 . 1 . . . . A 58 VAL H . 36756 1 592 . 1 . 1 58 58 VAL HA H 1 4.676 0.000 . 1 . . . . A 58 VAL HA . 36756 1 593 . 1 . 1 58 58 VAL HB H 1 2.557 0.000 . 1 . . . . A 58 VAL HB . 36756 1 594 . 1 . 1 58 58 VAL HG11 H 1 0.848 0.000 . . . . . . A 58 VAL HG11 . 36756 1 595 . 1 . 1 58 58 VAL HG12 H 1 0.848 0.000 . . . . . . A 58 VAL HG12 . 36756 1 596 . 1 . 1 58 58 VAL HG13 H 1 0.848 0.000 . . . . . . A 58 VAL HG13 . 36756 1 597 . 1 . 1 58 58 VAL HG21 H 1 0.853 0.000 . . . . . . A 58 VAL HG21 . 36756 1 598 . 1 . 1 58 58 VAL HG22 H 1 0.853 0.000 . . . . . . A 58 VAL HG22 . 36756 1 599 . 1 . 1 58 58 VAL HG23 H 1 0.853 0.000 . . . . . . A 58 VAL HG23 . 36756 1 600 . 1 . 1 58 58 VAL CA C 13 66.631 0.000 . 1 . . . . A 58 VAL CA . 36756 1 601 . 1 . 1 58 58 VAL CB C 13 27.732 0.000 . 1 . . . . A 58 VAL CB . 36756 1 602 . 1 . 1 58 58 VAL CG1 C 13 19.197 0.000 . . . . . . A 58 VAL CG1 . 36756 1 603 . 1 . 1 58 58 VAL CG2 C 13 18.835 0.000 . . . . . . A 58 VAL CG2 . 36756 1 604 . 1 . 1 58 58 VAL N N 15 112.689 0.000 . 1 . . . . A 58 VAL N . 36756 1 605 . 1 . 1 59 59 MET H H 1 9.320 0.000 . 1 . . . . A 59 MET H . 36756 1 606 . 1 . 1 59 59 MET HA H 1 4.393 0.000 . 1 . . . . A 59 MET HA . 36756 1 607 . 1 . 1 59 59 MET HB2 H 1 2.078 0.000 . . . . . . A 59 MET HB2 . 36756 1 608 . 1 . 1 59 59 MET HB3 H 1 1.607 0.000 . . . . . . A 59 MET HB3 . 36756 1 609 . 1 . 1 59 59 MET HG2 H 1 2.442 0.000 . . . . . . A 59 MET HG2 . 36756 1 610 . 1 . 1 59 59 MET HG3 H 1 2.452 0.000 . . . . . . A 59 MET HG3 . 36756 1 611 . 1 . 1 59 59 MET CA C 13 54.027 0.000 . 1 . . . . A 59 MET CA . 36756 1 612 . 1 . 1 59 59 MET CB C 13 33.245 0.000 . 1 . . . . A 59 MET CB . 36756 1 613 . 1 . 1 59 59 MET CG C 13 28.508 0.000 . 1 . . . . A 59 MET CG . 36756 1 614 . 1 . 1 59 59 MET N N 15 123.560 0.000 . 1 . . . . A 59 MET N . 36756 1 615 . 1 . 1 60 60 ASP H H 1 8.354 0.000 . 1 . . . . A 60 ASP H . 36756 1 616 . 1 . 1 60 60 ASP HA H 1 4.552 0.000 . 1 . . . . A 60 ASP HA . 36756 1 617 . 1 . 1 60 60 ASP HB2 H 1 3.676 0.000 . . . . . . A 60 ASP HB2 . 36756 1 618 . 1 . 1 60 60 ASP HB3 H 1 2.856 0.000 . . . . . . A 60 ASP HB3 . 36756 1 619 . 1 . 1 60 60 ASP CA C 13 50.873 0.000 . 1 . . . . A 60 ASP CA . 36756 1 620 . 1 . 1 60 60 ASP CB C 13 39.578 0.000 . 1 . . . . A 60 ASP CB . 36756 1 621 . 1 . 1 60 60 ASP N N 15 125.913 0.000 . 1 . . . . A 60 ASP N . 36756 1 622 . 1 . 1 61 61 GLY H H 1 9.721 0.000 . 1 . . . . A 61 GLY H . 36756 1 623 . 1 . 1 61 61 GLY HA2 H 1 3.626 0.000 . . . . . . A 61 GLY HA2 . 36756 1 624 . 1 . 1 61 61 GLY HA3 H 1 4.058 0.000 . . . . . . A 61 GLY HA3 . 36756 1 625 . 1 . 1 61 61 GLY CA C 13 44.445 0.000 . 1 . . . . A 61 GLY CA . 36756 1 626 . 1 . 1 61 61 GLY N N 15 103.469 0.000 . 1 . . . . A 61 GLY N . 36756 1 627 . 1 . 1 62 62 PHE H H 1 7.562 0.000 . 1 . . . . A 62 PHE H . 36756 1 628 . 1 . 1 62 62 PHE HA H 1 4.414 0.000 . 1 . . . . A 62 PHE HA . 36756 1 629 . 1 . 1 62 62 PHE HB2 H 1 3.015 0.000 . . . . . . A 62 PHE HB2 . 36756 1 630 . 1 . 1 62 62 PHE HB3 H 1 3.197 0.000 . . . . . . A 62 PHE HB3 . 36756 1 631 . 1 . 1 62 62 PHE CA C 13 58.641 0.000 . 1 . . . . A 62 PHE CA . 36756 1 632 . 1 . 1 62 62 PHE CB C 13 34.862 0.000 . 1 . . . . A 62 PHE CB . 36756 1 633 . 1 . 1 62 62 PHE N N 15 119.367 0.000 . 1 . . . . A 62 PHE N . 36756 1 634 . 1 . 1 64 64 VAL H H 1 7.416 0.000 . 1 . . . . A 64 VAL H . 36756 1 635 . 1 . 1 64 64 VAL HA H 1 3.360 0.000 . 1 . . . . A 64 VAL HA . 36756 1 636 . 1 . 1 64 64 VAL HB H 1 2.141 0.000 . 1 . . . . A 64 VAL HB . 36756 1 637 . 1 . 1 64 64 VAL HG11 H 1 0.897 0.000 . . . . . . A 64 VAL HG11 . 36756 1 638 . 1 . 1 64 64 VAL HG12 H 1 0.897 0.000 . . . . . . A 64 VAL HG12 . 36756 1 639 . 1 . 1 64 64 VAL HG13 H 1 0.897 0.000 . . . . . . A 64 VAL HG13 . 36756 1 640 . 1 . 1 64 64 VAL HG21 H 1 0.608 0.000 . . . . . . A 64 VAL HG21 . 36756 1 641 . 1 . 1 64 64 VAL HG22 H 1 0.608 0.000 . . . . . . A 64 VAL HG22 . 36756 1 642 . 1 . 1 64 64 VAL HG23 H 1 0.608 0.000 . . . . . . A 64 VAL HG23 . 36756 1 643 . 1 . 1 64 64 VAL CA C 13 64.663 0.000 . 1 . . . . A 64 VAL CA . 36756 1 644 . 1 . 1 64 64 VAL CB C 13 28.395 0.000 . 1 . . . . A 64 VAL CB . 36756 1 645 . 1 . 1 64 64 VAL CG1 C 13 21.041 0.000 . . . . . . A 64 VAL CG1 . 36756 1 646 . 1 . 1 64 64 VAL CG2 C 13 18.305 0.000 . . . . . . A 64 VAL CG2 . 36756 1 647 . 1 . 1 64 64 VAL N N 15 120.002 0.000 . 1 . . . . A 64 VAL N . 36756 1 648 . 1 . 1 65 65 LEU H H 1 8.220 0.000 . 1 . . . . A 65 LEU H . 36756 1 649 . 1 . 1 65 65 LEU HA H 1 3.857 0.000 . 1 . . . . A 65 LEU HA . 36756 1 650 . 1 . 1 65 65 LEU HB2 H 1 2.037 0.000 . . . . . . A 65 LEU HB2 . 36756 1 651 . 1 . 1 65 65 LEU HB3 H 1 1.637 0.000 . . . . . . A 65 LEU HB3 . 36756 1 652 . 1 . 1 65 65 LEU HD11 H 1 0.844 0.000 . . . . . . A 65 LEU HD11 . 36756 1 653 . 1 . 1 65 65 LEU HD12 H 1 0.844 0.000 . . . . . . A 65 LEU HD12 . 36756 1 654 . 1 . 1 65 65 LEU HD13 H 1 0.844 0.000 . . . . . . A 65 LEU HD13 . 36756 1 655 . 1 . 1 65 65 LEU HD21 H 1 0.735 0.000 . . . . . . A 65 LEU HD21 . 36756 1 656 . 1 . 1 65 65 LEU HD22 H 1 0.735 0.000 . . . . . . A 65 LEU HD22 . 36756 1 657 . 1 . 1 65 65 LEU HD23 H 1 0.735 0.000 . . . . . . A 65 LEU HD23 . 36756 1 658 . 1 . 1 65 65 LEU CA C 13 55.872 0.000 . 1 . . . . A 65 LEU CA . 36756 1 659 . 1 . 1 65 65 LEU CB C 13 39.785 0.000 . 1 . . . . A 65 LEU CB . 36756 1 660 . 1 . 1 65 65 LEU CD1 C 13 23.284 0.000 . . . . . . A 65 LEU CD1 . 36756 1 661 . 1 . 1 65 65 LEU CD2 C 13 21.525 0.000 . . . . . . A 65 LEU CD2 . 36756 1 662 . 1 . 1 65 65 LEU N N 15 118.231 0.000 . 1 . . . . A 65 LEU N . 36756 1 663 . 1 . 1 66 66 LYS H H 1 7.804 0.000 . 1 . . . . A 66 LYS H . 36756 1 664 . 1 . 1 66 66 LYS HA H 1 4.016 0.000 . 1 . . . . A 66 LYS HA . 36756 1 665 . 1 . 1 66 66 LYS HB2 H 1 1.984 0.000 . . . . . . A 66 LYS HB2 . 36756 1 666 . 1 . 1 66 66 LYS HB3 H 1 1.731 0.000 . . . . . . A 66 LYS HB3 . 36756 1 667 . 1 . 1 66 66 LYS CA C 13 57.590 0.000 . 1 . . . . A 66 LYS CA . 36756 1 668 . 1 . 1 66 66 LYS CB C 13 30.011 0.000 . 1 . . . . A 66 LYS CB . 36756 1 669 . 1 . 1 66 66 LYS CD C 13 26.904 0.000 . 1 . . . . A 66 LYS CD . 36756 1 670 . 1 . 1 66 66 LYS CG C 13 23.315 0.000 . 1 . . . . A 66 LYS CG . 36756 1 671 . 1 . 1 66 66 LYS N N 15 117.564 0.000 . 1 . . . . A 66 LYS N . 36756 1 672 . 1 . 1 67 67 LYS H H 1 7.815 0.000 . 1 . . . . A 67 LYS H . 36756 1 673 . 1 . 1 67 67 LYS HA H 1 4.156 0.000 . 1 . . . . A 67 LYS HA . 36756 1 674 . 1 . 1 67 67 LYS HB2 H 1 2.020 0.000 . . . . . . A 67 LYS HB2 . 36756 1 675 . 1 . 1 67 67 LYS HB3 H 1 2.060 0.000 . . . . . . A 67 LYS HB3 . 36756 1 676 . 1 . 1 67 67 LYS CA C 13 55.709 0.000 . 1 . . . . A 67 LYS CA . 36756 1 677 . 1 . 1 67 67 LYS CB C 13 29.302 0.000 . 1 . . . . A 67 LYS CB . 36756 1 678 . 1 . 1 67 67 LYS CD C 13 26.838 0.000 . 1 . . . . A 67 LYS CD . 36756 1 679 . 1 . 1 67 67 LYS CG C 13 21.858 0.000 . 1 . . . . A 67 LYS CG . 36756 1 680 . 1 . 1 67 67 LYS N N 15 119.749 0.000 . 1 . . . . A 67 LYS N . 36756 1 681 . 1 . 1 68 68 LEU H H 1 8.445 0.000 . 1 . . . . A 68 LEU H . 36756 1 682 . 1 . 1 68 68 LEU HA H 1 4.429 0.000 . 1 . . . . A 68 LEU HA . 36756 1 683 . 1 . 1 68 68 LEU HB2 H 1 1.387 0.000 . . . . . . A 68 LEU HB2 . 36756 1 684 . 1 . 1 68 68 LEU HB3 H 1 1.980 0.000 . . . . . . A 68 LEU HB3 . 36756 1 685 . 1 . 1 68 68 LEU HD11 H 1 0.689 0.000 . . . . . . A 68 LEU HD11 . 36756 1 686 . 1 . 1 68 68 LEU HD12 H 1 0.689 0.000 . . . . . . A 68 LEU HD12 . 36756 1 687 . 1 . 1 68 68 LEU HD13 H 1 0.689 0.000 . . . . . . A 68 LEU HD13 . 36756 1 688 . 1 . 1 68 68 LEU HD21 H 1 0.676 0.000 . . . . . . A 68 LEU HD21 . 36756 1 689 . 1 . 1 68 68 LEU HD22 H 1 0.676 0.000 . . . . . . A 68 LEU HD22 . 36756 1 690 . 1 . 1 68 68 LEU HD23 H 1 0.676 0.000 . . . . . . A 68 LEU HD23 . 36756 1 691 . 1 . 1 68 68 LEU CA C 13 55.107 0.000 . 1 . . . . A 68 LEU CA . 36756 1 692 . 1 . 1 68 68 LEU CB C 13 38.599 0.000 . 1 . . . . A 68 LEU CB . 36756 1 693 . 1 . 1 68 68 LEU CD1 C 13 20.246 0.000 . . . . . . A 68 LEU CD1 . 36756 1 694 . 1 . 1 68 68 LEU CD2 C 13 23.659 0.000 . . . . . . A 68 LEU CD2 . 36756 1 695 . 1 . 1 68 68 LEU N N 15 119.168 0.000 . 1 . . . . A 68 LEU N . 36756 1 696 . 1 . 1 69 69 GLN H H 1 7.135 0.000 . 1 . . . . A 69 GLN H . 36756 1 697 . 1 . 1 69 69 GLN HA H 1 4.005 0.000 . 1 . . . . A 69 GLN HA . 36756 1 698 . 1 . 1 69 69 GLN HB2 H 1 2.293 0.000 . . . . . . A 69 GLN HB2 . 36756 1 699 . 1 . 1 69 69 GLN HB3 H 1 2.107 0.000 . . . . . . A 69 GLN HB3 . 36756 1 700 . 1 . 1 69 69 GLN HG2 H 1 2.655 0.000 . . . . . . A 69 GLN HG2 . 36756 1 701 . 1 . 1 69 69 GLN HG3 H 1 2.596 0.000 . . . . . . A 69 GLN HG3 . 36756 1 702 . 1 . 1 69 69 GLN CA C 13 53.672 0.000 . 1 . . . . A 69 GLN CA . 36756 1 703 . 1 . 1 69 69 GLN CB C 13 26.344 0.000 . 1 . . . . A 69 GLN CB . 36756 1 704 . 1 . 1 69 69 GLN CG C 13 31.322 0.000 . 1 . . . . A 69 GLN CG . 36756 1 705 . 1 . 1 69 69 GLN N N 15 109.241 0.000 . 1 . . . . A 69 GLN N . 36756 1 706 . 1 . 1 70 70 GLU H H 1 7.481 0.000 . 1 . . . . A 70 GLU H . 36756 1 707 . 1 . 1 70 70 GLU HA H 1 4.095 0.000 . 1 . . . . A 70 GLU HA . 36756 1 708 . 1 . 1 70 70 GLU HB2 H 1 2.126 0.000 . . . . . . A 70 GLU HB2 . 36756 1 709 . 1 . 1 70 70 GLU HB3 H 1 2.157 0.000 . . . . . . A 70 GLU HB3 . 36756 1 710 . 1 . 1 70 70 GLU HG2 H 1 2.627 0.000 . . . . . . A 70 GLU HG2 . 36756 1 711 . 1 . 1 70 70 GLU HG3 H 1 2.274 0.000 . . . . . . A 70 GLU HG3 . 36756 1 712 . 1 . 1 70 70 GLU CA C 13 54.808 0.000 . 1 . . . . A 70 GLU CA . 36756 1 713 . 1 . 1 70 70 GLU CB C 13 28.079 0.000 . 1 . . . . A 70 GLU CB . 36756 1 714 . 1 . 1 70 70 GLU CG C 13 34.149 0.000 . 1 . . . . A 70 GLU CG . 36756 1 715 . 1 . 1 70 70 GLU N N 15 114.922 0.000 . 1 . . . . A 70 GLU N . 36756 1 716 . 1 . 1 71 71 LYS H H 1 6.969 0.000 . 1 . . . . A 71 LYS H . 36756 1 717 . 1 . 1 71 71 LYS HA H 1 4.544 0.000 . 1 . . . . A 71 LYS HA . 36756 1 718 . 1 . 1 71 71 LYS HB2 H 1 1.354 0.000 . . . . . . A 71 LYS HB2 . 36756 1 719 . 1 . 1 71 71 LYS HB3 H 1 1.087 0.000 . . . . . . A 71 LYS HB3 . 36756 1 720 . 1 . 1 71 71 LYS HD2 H 1 0.261 0.000 . . . . . . A 71 LYS HD2 . 36756 1 721 . 1 . 1 71 71 LYS HD3 H 1 0.107 0.000 . . . . . . A 71 LYS HD3 . 36756 1 722 . 1 . 1 71 71 LYS HE2 H 1 2.184 0.000 . . . . . . A 71 LYS HE2 . 36756 1 723 . 1 . 1 71 71 LYS HE3 H 1 2.097 0.000 . . . . . . A 71 LYS HE3 . 36756 1 724 . 1 . 1 71 71 LYS HG2 H 1 0.723 0.000 . . . . . . A 71 LYS HG2 . 36756 1 725 . 1 . 1 71 71 LYS HG3 H 1 0.794 0.000 . . . . . . A 71 LYS HG3 . 36756 1 726 . 1 . 1 71 71 LYS CA C 13 52.056 0.000 . 1 . . . . A 71 LYS CA . 36756 1 727 . 1 . 1 71 71 LYS CB C 13 32.180 0.000 . 1 . . . . A 71 LYS CB . 36756 1 728 . 1 . 1 71 71 LYS CD C 13 25.044 0.000 . 1 . . . . A 71 LYS CD . 36756 1 729 . 1 . 1 71 71 LYS CE C 13 39.017 0.000 . 1 . . . . A 71 LYS CE . 36756 1 730 . 1 . 1 71 71 LYS CG C 13 21.801 0.000 . 1 . . . . A 71 LYS CG . 36756 1 731 . 1 . 1 71 71 LYS N N 15 117.238 0.000 . 1 . . . . A 71 LYS N . 36756 1 732 . 1 . 1 72 72 GLU H H 1 9.026 0.000 . 1 . . . . A 72 GLU H . 36756 1 733 . 1 . 1 72 72 GLU HA H 1 3.773 0.000 . 1 . . . . A 72 GLU HA . 36756 1 734 . 1 . 1 72 72 GLU HB2 H 1 1.975 0.000 . . . . . . A 72 GLU HB2 . 36756 1 735 . 1 . 1 72 72 GLU HB3 H 1 1.921 0.000 . . . . . . A 72 GLU HB3 . 36756 1 736 . 1 . 1 72 72 GLU HG2 H 1 2.275 0.000 . . . . . . A 72 GLU HG2 . 36756 1 737 . 1 . 1 72 72 GLU HG3 H 1 2.271 0.000 . . . . . . A 72 GLU HG3 . 36756 1 738 . 1 . 1 72 72 GLU CA C 13 57.422 0.000 . 1 . . . . A 72 GLU CA . 36756 1 739 . 1 . 1 72 72 GLU CB C 13 26.896 0.000 . 1 . . . . A 72 GLU CB . 36756 1 740 . 1 . 1 72 72 GLU CG C 13 33.189 0.000 . 1 . . . . A 72 GLU CG . 36756 1 741 . 1 . 1 72 72 GLU N N 15 128.223 0.000 . 1 . . . . A 72 GLU N . 36756 1 742 . 1 . 1 73 73 GLU H H 1 9.486 0.000 . 1 . . . . A 73 GLU H . 36756 1 743 . 1 . 1 73 73 GLU HA H 1 3.998 0.000 . 1 . . . . A 73 GLU HA . 36756 1 744 . 1 . 1 73 73 GLU HB2 H 1 2.039 0.000 . . . . . . A 73 GLU HB2 . 36756 1 745 . 1 . 1 73 73 GLU HB3 H 1 1.916 0.000 . . . . . . A 73 GLU HB3 . 36756 1 746 . 1 . 1 73 73 GLU HG2 H 1 2.141 0.000 . . . . . . A 73 GLU HG2 . 36756 1 747 . 1 . 1 73 73 GLU HG3 H 1 2.267 0.000 . . . . . . A 73 GLU HG3 . 36756 1 748 . 1 . 1 73 73 GLU CA C 13 56.393 0.000 . 1 . . . . A 73 GLU CA . 36756 1 749 . 1 . 1 73 73 GLU CB C 13 26.423 0.000 . 1 . . . . A 73 GLU CB . 36756 1 750 . 1 . 1 73 73 GLU CG C 13 33.723 0.000 . 1 . . . . A 73 GLU CG . 36756 1 751 . 1 . 1 73 73 GLU N N 15 115.058 0.000 . 1 . . . . A 73 GLU N . 36756 1 752 . 1 . 1 74 74 TRP H H 1 7.176 0.000 . 1 . . . . A 74 TRP H . 36756 1 753 . 1 . 1 74 74 TRP HA H 1 5.089 0.000 . 1 . . . . A 74 TRP HA . 36756 1 754 . 1 . 1 74 74 TRP HB2 H 1 3.741 0.000 . . . . . . A 74 TRP HB2 . 36756 1 755 . 1 . 1 74 74 TRP HB3 H 1 3.280 0.000 . . . . . . A 74 TRP HB3 . 36756 1 756 . 1 . 1 74 74 TRP CA C 13 52.608 0.000 . 1 . . . . A 74 TRP CA . 36756 1 757 . 1 . 1 74 74 TRP CB C 13 28.710 0.000 . 1 . . . . A 74 TRP CB . 36756 1 758 . 1 . 1 74 74 TRP N N 15 118.017 0.000 . 1 . . . . A 74 TRP N . 36756 1 759 . 1 . 1 75 75 LYS H H 1 8.119 0.000 . 1 . . . . A 75 LYS H . 36756 1 760 . 1 . 1 75 75 LYS HA H 1 4.005 0.000 . 1 . . . . A 75 LYS HA . 36756 1 761 . 1 . 1 75 75 LYS HB2 H 1 1.982 0.000 . . . . . . A 75 LYS HB2 . 36756 1 762 . 1 . 1 75 75 LYS HB3 H 1 1.926 0.000 . . . . . . A 75 LYS HB3 . 36756 1 763 . 1 . 1 75 75 LYS CA C 13 56.748 0.000 . 1 . . . . A 75 LYS CA . 36756 1 764 . 1 . 1 75 75 LYS CB C 13 30.169 0.000 . 1 . . . . A 75 LYS CB . 36756 1 765 . 1 . 1 75 75 LYS N N 15 121.259 0.000 . 1 . . . . A 75 LYS N . 36756 1 766 . 1 . 1 76 76 ARG H H 1 7.487 0.000 . 1 . . . . A 76 ARG H . 36756 1 767 . 1 . 1 76 76 ARG HA H 1 4.374 0.000 . 1 . . . . A 76 ARG HA . 36756 1 768 . 1 . 1 76 76 ARG HB2 H 1 1.951 0.000 . . . . . . A 76 ARG HB2 . 36756 1 769 . 1 . 1 76 76 ARG HB3 H 1 1.792 0.000 . . . . . . A 76 ARG HB3 . 36756 1 770 . 1 . 1 76 76 ARG HD2 H 1 3.157 0.000 . . . . . . A 76 ARG HD2 . 36756 1 771 . 1 . 1 76 76 ARG HD3 H 1 3.233 0.000 . . . . . . A 76 ARG HD3 . 36756 1 772 . 1 . 1 76 76 ARG HG2 H 1 1.601 0.000 . . . . . . A 76 ARG HG2 . 36756 1 773 . 1 . 1 76 76 ARG HG3 H 1 1.610 0.000 . . . . . . A 76 ARG HG3 . 36756 1 774 . 1 . 1 76 76 ARG CA C 13 52.963 0.000 . 1 . . . . A 76 ARG CA . 36756 1 775 . 1 . 1 76 76 ARG CB C 13 27.562 0.000 . 1 . . . . A 76 ARG CB . 36756 1 776 . 1 . 1 76 76 ARG CD C 13 40.774 0.000 . 1 . . . . A 76 ARG CD . 36756 1 777 . 1 . 1 76 76 ARG CG C 13 24.612 0.000 . 1 . . . . A 76 ARG CG . 36756 1 778 . 1 . 1 76 76 ARG N N 15 114.217 0.000 . 1 . . . . A 76 ARG N . 36756 1 779 . 1 . 1 77 77 ILE H H 1 7.324 0.000 . 1 . . . . A 77 ILE H . 36756 1 780 . 1 . 1 77 77 ILE HB H 1 1.711 0.000 . 1 . . . . A 77 ILE HB . 36756 1 781 . 1 . 1 77 77 ILE HD11 H 1 0.916 0.000 . 1 . . . . A 77 ILE HD11 . 36756 1 782 . 1 . 1 77 77 ILE HD12 H 1 0.916 0.000 . 1 . . . . A 77 ILE HD12 . 36756 1 783 . 1 . 1 77 77 ILE HD13 H 1 0.916 0.000 . 1 . . . . A 77 ILE HD13 . 36756 1 784 . 1 . 1 77 77 ILE HG12 H 1 1.881 0.000 . . . . . . A 77 ILE HG12 . 36756 1 785 . 1 . 1 77 77 ILE HG13 H 1 1.017 0.000 . . . . . . A 77 ILE HG13 . 36756 1 786 . 1 . 1 77 77 ILE HG21 H 1 0.657 0.000 . 1 . . . . A 77 ILE HG21 . 36756 1 787 . 1 . 1 77 77 ILE HG22 H 1 0.657 0.000 . 1 . . . . A 77 ILE HG22 . 36756 1 788 . 1 . 1 77 77 ILE HG23 H 1 0.657 0.000 . 1 . . . . A 77 ILE HG23 . 36756 1 789 . 1 . 1 77 77 ILE CA C 13 57.379 0.000 . 1 . . . . A 77 ILE CA . 36756 1 790 . 1 . 1 77 77 ILE CB C 13 37.110 0.000 . 1 . . . . A 77 ILE CB . 36756 1 791 . 1 . 1 77 77 ILE CD1 C 13 12.327 0.000 . 1 . . . . A 77 ILE CD1 . 36756 1 792 . 1 . 1 77 77 ILE CG1 C 13 24.397 0.000 . 1 . . . . A 77 ILE CG1 . 36756 1 793 . 1 . 1 77 77 ILE CG2 C 13 13.851 0.000 . 1 . . . . A 77 ILE CG2 . 36756 1 794 . 1 . 1 77 77 ILE N N 15 123.919 0.000 . 1 . . . . A 77 ILE N . 36756 1 795 . 1 . 1 79 79 VAL H H 1 7.754 0.000 . 1 . . . . A 79 VAL H . 36756 1 796 . 1 . 1 79 79 VAL HA H 1 5.143 0.000 . 1 . . . . A 79 VAL HA . 36756 1 797 . 1 . 1 79 79 VAL HB H 1 1.804 0.000 . 1 . . . . A 79 VAL HB . 36756 1 798 . 1 . 1 79 79 VAL HG11 H 1 0.702 0.000 . . . . . . A 79 VAL HG11 . 36756 1 799 . 1 . 1 79 79 VAL HG12 H 1 0.702 0.000 . . . . . . A 79 VAL HG12 . 36756 1 800 . 1 . 1 79 79 VAL HG13 H 1 0.702 0.000 . . . . . . A 79 VAL HG13 . 36756 1 801 . 1 . 1 79 79 VAL HG21 H 1 0.815 0.000 . . . . . . A 79 VAL HG21 . 36756 1 802 . 1 . 1 79 79 VAL HG22 H 1 0.815 0.000 . . . . . . A 79 VAL HG22 . 36756 1 803 . 1 . 1 79 79 VAL HG23 H 1 0.815 0.000 . . . . . . A 79 VAL HG23 . 36756 1 804 . 1 . 1 79 79 VAL CA C 13 57.813 0.000 . 1 . . . . A 79 VAL CA . 36756 1 805 . 1 . 1 79 79 VAL CB C 13 33.127 0.000 . 1 . . . . A 79 VAL CB . 36756 1 806 . 1 . 1 79 79 VAL CG1 C 13 20.335 0.000 . . . . . . A 79 VAL CG1 . 36756 1 807 . 1 . 1 79 79 VAL CG2 C 13 19.352 0.000 . . . . . . A 79 VAL CG2 . 36756 1 808 . 1 . 1 79 79 VAL N N 15 121.238 0.000 . 1 . . . . A 79 VAL N . 36756 1 809 . 1 . 1 80 80 ILE H H 1 8.712 0.000 . 1 . . . . A 80 ILE H . 36756 1 810 . 1 . 1 80 80 ILE HA H 1 4.641 0.000 . 1 . . . . A 80 ILE HA . 36756 1 811 . 1 . 1 80 80 ILE HB H 1 1.494 0.000 . 1 . . . . A 80 ILE HB . 36756 1 812 . 1 . 1 80 80 ILE HD11 H 1 0.486 0.000 . 1 . . . . A 80 ILE HD11 . 36756 1 813 . 1 . 1 80 80 ILE HD12 H 1 0.486 0.000 . 1 . . . . A 80 ILE HD12 . 36756 1 814 . 1 . 1 80 80 ILE HD13 H 1 0.486 0.000 . 1 . . . . A 80 ILE HD13 . 36756 1 815 . 1 . 1 80 80 ILE HG12 H 1 1.463 0.000 . . . . . . A 80 ILE HG12 . 36756 1 816 . 1 . 1 80 80 ILE HG13 H 1 0.557 0.000 . . . . . . A 80 ILE HG13 . 36756 1 817 . 1 . 1 80 80 ILE HG21 H 1 0.656 0.000 . 1 . . . . A 80 ILE HG21 . 36756 1 818 . 1 . 1 80 80 ILE HG22 H 1 0.656 0.000 . 1 . . . . A 80 ILE HG22 . 36756 1 819 . 1 . 1 80 80 ILE HG23 H 1 0.656 0.000 . 1 . . . . A 80 ILE HG23 . 36756 1 820 . 1 . 1 80 80 ILE CA C 13 57.035 0.000 . 1 . . . . A 80 ILE CA . 36756 1 821 . 1 . 1 80 80 ILE CB C 13 38.214 0.000 . 1 . . . . A 80 ILE CB . 36756 1 822 . 1 . 1 80 80 ILE CD1 C 13 11.678 0.000 . 1 . . . . A 80 ILE CD1 . 36756 1 823 . 1 . 1 80 80 ILE CG1 C 13 25.333 0.000 . 1 . . . . A 80 ILE CG1 . 36756 1 824 . 1 . 1 80 80 ILE CG2 C 13 14.074 0.000 . 1 . . . . A 80 ILE CG2 . 36756 1 825 . 1 . 1 80 80 ILE N N 15 126.318 0.000 . 1 . . . . A 80 ILE N . 36756 1 826 . 1 . 1 81 81 VAL H H 1 8.638 0.000 . 1 . . . . A 81 VAL H . 36756 1 827 . 1 . 1 81 81 VAL HA H 1 5.294 0.000 . 1 . . . . A 81 VAL HA . 36756 1 828 . 1 . 1 81 81 VAL HB H 1 1.790 0.000 . 1 . . . . A 81 VAL HB . 36756 1 829 . 1 . 1 81 81 VAL HG11 H 1 0.779 0.000 . . . . . . A 81 VAL HG11 . 36756 1 830 . 1 . 1 81 81 VAL HG12 H 1 0.779 0.000 . . . . . . A 81 VAL HG12 . 36756 1 831 . 1 . 1 81 81 VAL HG13 H 1 0.779 0.000 . . . . . . A 81 VAL HG13 . 36756 1 832 . 1 . 1 81 81 VAL HG21 H 1 0.785 0.000 . . . . . . A 81 VAL HG21 . 36756 1 833 . 1 . 1 81 81 VAL HG22 H 1 0.785 0.000 . . . . . . A 81 VAL HG22 . 36756 1 834 . 1 . 1 81 81 VAL HG23 H 1 0.785 0.000 . . . . . . A 81 VAL HG23 . 36756 1 835 . 1 . 1 81 81 VAL CA C 13 56.591 0.000 . 1 . . . . A 81 VAL CA . 36756 1 836 . 1 . 1 81 81 VAL CB C 13 31.234 0.000 . 1 . . . . A 81 VAL CB . 36756 1 837 . 1 . 1 81 81 VAL CG1 C 13 20.959 0.000 . . . . . . A 81 VAL CG1 . 36756 1 838 . 1 . 1 81 81 VAL CG2 C 13 20.061 0.000 . . . . . . A 81 VAL CG2 . 36756 1 839 . 1 . 1 81 81 VAL N N 15 125.863 0.000 . 1 . . . . A 81 VAL N . 36756 1 840 . 1 . 1 82 82 LEU H H 1 8.530 0.000 . 1 . . . . A 82 LEU H . 36756 1 841 . 1 . 1 82 82 LEU HA H 1 5.644 0.000 . 1 . . . . A 82 LEU HA . 36756 1 842 . 1 . 1 82 82 LEU HB2 H 1 2.114 0.000 . . . . . . A 82 LEU HB2 . 36756 1 843 . 1 . 1 82 82 LEU HB3 H 1 1.176 0.000 . . . . . . A 82 LEU HB3 . 36756 1 844 . 1 . 1 82 82 LEU HD11 H 1 0.835 0.000 . . . . . . A 82 LEU HD11 . 36756 1 845 . 1 . 1 82 82 LEU HD12 H 1 0.835 0.000 . . . . . . A 82 LEU HD12 . 36756 1 846 . 1 . 1 82 82 LEU HD13 H 1 0.835 0.000 . . . . . . A 82 LEU HD13 . 36756 1 847 . 1 . 1 82 82 LEU HD21 H 1 0.614 0.000 . . . . . . A 82 LEU HD21 . 36756 1 848 . 1 . 1 82 82 LEU HD22 H 1 0.614 0.000 . . . . . . A 82 LEU HD22 . 36756 1 849 . 1 . 1 82 82 LEU HD23 H 1 0.614 0.000 . . . . . . A 82 LEU HD23 . 36756 1 850 . 1 . 1 82 82 LEU CA C 13 49.492 0.000 . 1 . . . . A 82 LEU CA . 36756 1 851 . 1 . 1 82 82 LEU CB C 13 41.181 0.000 . 1 . . . . A 82 LEU CB . 36756 1 852 . 1 . 1 82 82 LEU CD1 C 13 23.331 0.000 . . . . . . A 82 LEU CD1 . 36756 1 853 . 1 . 1 82 82 LEU CD2 C 13 21.059 0.000 . . . . . . A 82 LEU CD2 . 36756 1 854 . 1 . 1 82 82 LEU N N 15 124.333 0.000 . 1 . . . . A 82 LEU N . 36756 1 855 . 1 . 1 83 83 THR H H 1 8.285 0.000 . 1 . . . . A 83 THR H . 36756 1 856 . 1 . 1 83 83 THR CA C 13 56.591 0.000 . 1 . . . . A 83 THR CA . 36756 1 857 . 1 . 1 83 83 THR CB C 13 67.593 0.000 . 1 . . . . A 83 THR CB . 36756 1 858 . 1 . 1 83 83 THR N N 15 112.586 0.000 . 1 . . . . A 83 THR N . 36756 1 859 . 1 . 1 85 85 LYS H H 1 8.403 0.000 . 1 . . . . A 85 LYS H . 36756 1 860 . 1 . 1 85 85 LYS HA H 1 4.171 0.000 . 1 . . . . A 85 LYS HA . 36756 1 861 . 1 . 1 85 85 LYS HB2 H 1 1.832 0.000 . . . . . . A 85 LYS HB2 . 36756 1 862 . 1 . 1 85 85 LYS HB3 H 1 1.864 0.000 . . . . . . A 85 LYS HB3 . 36756 1 863 . 1 . 1 85 85 LYS CA C 13 55.408 0.000 . 1 . . . . A 85 LYS CA . 36756 1 864 . 1 . 1 85 85 LYS CB C 13 30.130 0.000 . 1 . . . . A 85 LYS CB . 36756 1 865 . 1 . 1 85 85 LYS N N 15 121.640 0.000 . 1 . . . . A 85 LYS N . 36756 1 866 . 1 . 1 86 86 GLY H H 1 8.886 0.000 . 1 . . . . A 86 GLY H . 36756 1 867 . 1 . 1 86 86 GLY HA2 H 1 4.171 0.000 . . . . . . A 86 GLY HA2 . 36756 1 868 . 1 . 1 86 86 GLY HA3 H 1 3.969 0.000 . . . . . . A 86 GLY HA3 . 36756 1 869 . 1 . 1 86 86 GLY CA C 13 42.907 0.000 . 1 . . . . A 86 GLY CA . 36756 1 870 . 1 . 1 86 86 GLY N N 15 113.425 0.000 . 1 . . . . A 86 GLY N . 36756 1 871 . 1 . 1 87 87 GLY H H 1 8.287 0.000 . 1 . . . . A 87 GLY H . 36756 1 872 . 1 . 1 87 87 GLY HA2 H 1 4.317 0.000 . . . . . . A 87 GLY HA2 . 36756 1 873 . 1 . 1 87 87 GLY HA3 H 1 3.977 0.000 . . . . . . A 87 GLY HA3 . 36756 1 874 . 1 . 1 87 87 GLY CA C 13 43.014 0.000 . 1 . . . . A 87 GLY CA . 36756 1 875 . 1 . 1 87 87 GLY N N 15 109.068 0.000 . 1 . . . . A 87 GLY N . 36756 1 876 . 1 . 1 88 88 GLU H H 1 8.914 0.000 . 1 . . . . A 88 GLU H . 36756 1 877 . 1 . 1 88 88 GLU HA H 1 4.171 0.000 . 1 . . . . A 88 GLU HA . 36756 1 878 . 1 . 1 88 88 GLU HB2 H 1 1.991 0.000 . . . . . . A 88 GLU HB2 . 36756 1 879 . 1 . 1 88 88 GLU HB3 H 1 2.114 0.000 . . . . . . A 88 GLU HB3 . 36756 1 880 . 1 . 1 88 88 GLU CA C 13 56.670 0.000 . 1 . . . . A 88 GLU CA . 36756 1 881 . 1 . 1 88 88 GLU CB C 13 27.208 0.000 . 1 . . . . A 88 GLU CB . 36756 1 882 . 1 . 1 88 88 GLU N N 15 121.324 0.000 . 1 . . . . A 88 GLU N . 36756 1 883 . 1 . 1 89 89 GLU H H 1 8.996 0.000 . 1 . . . . A 89 GLU H . 36756 1 884 . 1 . 1 89 89 GLU HA H 1 4.171 0.000 . 1 . . . . A 89 GLU HA . 36756 1 885 . 1 . 1 89 89 GLU HB2 H 1 2.079 0.000 . . . . . . A 89 GLU HB2 . 36756 1 886 . 1 . 1 89 89 GLU HB3 H 1 2.026 0.000 . . . . . . A 89 GLU HB3 . 36756 1 887 . 1 . 1 89 89 GLU CA C 13 56.433 0.000 . 1 . . . . A 89 GLU CA . 36756 1 888 . 1 . 1 89 89 GLU CB C 13 26.659 0.000 . 1 . . . . A 89 GLU CB . 36756 1 889 . 1 . 1 89 89 GLU N N 15 120.041 0.000 . 1 . . . . A 89 GLU N . 36756 1 890 . 1 . 1 90 90 ASP H H 1 8.026 0.000 . 1 . . . . A 90 ASP H . 36756 1 891 . 1 . 1 90 90 ASP HA H 1 4.626 0.000 . 1 . . . . A 90 ASP HA . 36756 1 892 . 1 . 1 90 90 ASP HB2 H 1 2.810 0.000 . . . . . . A 90 ASP HB2 . 36756 1 893 . 1 . 1 90 90 ASP HB3 H 1 2.739 0.000 . . . . . . A 90 ASP HB3 . 36756 1 894 . 1 . 1 90 90 ASP CA C 13 54.027 0.000 . 1 . . . . A 90 ASP CA . 36756 1 895 . 1 . 1 90 90 ASP CB C 13 38.017 0.000 . 1 . . . . A 90 ASP CB . 36756 1 896 . 1 . 1 90 90 ASP N N 15 120.242 0.000 . 1 . . . . A 90 ASP N . 36756 1 897 . 1 . 1 91 91 GLU H H 1 7.980 0.000 . 1 . . . . A 91 GLU H . 36756 1 898 . 1 . 1 91 91 GLU HA H 1 3.785 0.000 . 1 . . . . A 91 GLU HA . 36756 1 899 . 1 . 1 91 91 GLU HB2 H 1 2.132 0.000 . . . . . . A 91 GLU HB2 . 36756 1 900 . 1 . 1 91 91 GLU HB3 H 1 2.062 0.000 . . . . . . A 91 GLU HB3 . 36756 1 901 . 1 . 1 91 91 GLU CA C 13 57.340 0.000 . 1 . . . . A 91 GLU CA . 36756 1 902 . 1 . 1 91 91 GLU CB C 13 26.620 0.000 . 1 . . . . A 91 GLU CB . 36756 1 903 . 1 . 1 91 91 GLU N N 15 120.977 0.000 . 1 . . . . A 91 GLU N . 36756 1 904 . 1 . 1 92 92 SER H H 1 8.172 0.000 . 1 . . . . A 92 SER H . 36756 1 905 . 1 . 1 92 92 SER HA H 1 4.171 0.000 . 1 . . . . A 92 SER HA . 36756 1 906 . 1 . 1 92 92 SER HB2 H 1 3.927 0.000 . . . . . . A 92 SER HB2 . 36756 1 907 . 1 . 1 92 92 SER HB3 H 1 4.007 0.000 . . . . . . A 92 SER HB3 . 36756 1 908 . 1 . 1 92 92 SER CA C 13 58.995 0.000 . 1 . . . . A 92 SER CA . 36756 1 909 . 1 . 1 92 92 SER CB C 13 59.745 0.000 . 1 . . . . A 92 SER CB . 36756 1 910 . 1 . 1 92 92 SER N N 15 113.129 0.000 . 1 . . . . A 92 SER N . 36756 1 911 . 1 . 1 93 93 LEU H H 1 7.823 0.000 . 1 . . . . A 93 LEU H . 36756 1 912 . 1 . 1 93 93 LEU HA H 1 4.145 0.000 . 1 . . . . A 93 LEU HA . 36756 1 913 . 1 . 1 93 93 LEU HB2 H 1 1.639 0.000 . . . . . . A 93 LEU HB2 . 36756 1 914 . 1 . 1 93 93 LEU HB3 H 1 1.486 0.000 . . . . . . A 93 LEU HB3 . 36756 1 915 . 1 . 1 93 93 LEU HD11 H 1 0.688 0.000 . . . . . . A 93 LEU HD11 . 36756 1 916 . 1 . 1 93 93 LEU HD12 H 1 0.688 0.000 . . . . . . A 93 LEU HD12 . 36756 1 917 . 1 . 1 93 93 LEU HD13 H 1 0.688 0.000 . . . . . . A 93 LEU HD13 . 36756 1 918 . 1 . 1 93 93 LEU HD21 H 1 0.183 0.000 . . . . . . A 93 LEU HD21 . 36756 1 919 . 1 . 1 93 93 LEU HD22 H 1 0.183 0.000 . . . . . . A 93 LEU HD22 . 36756 1 920 . 1 . 1 93 93 LEU HD23 H 1 0.183 0.000 . . . . . . A 93 LEU HD23 . 36756 1 921 . 1 . 1 93 93 LEU CA C 13 54.895 0.000 . 1 . . . . A 93 LEU CA . 36756 1 922 . 1 . 1 93 93 LEU CB C 13 38.411 0.000 . 1 . . . . A 93 LEU CB . 36756 1 923 . 1 . 1 93 93 LEU CD1 C 13 20.181 0.000 . . . . . . A 93 LEU CD1 . 36756 1 924 . 1 . 1 93 93 LEU CD2 C 13 21.561 0.000 . . . . . . A 93 LEU CD2 . 36756 1 925 . 1 . 1 93 93 LEU CG C 13 24.323 0.000 . 1 . . . . A 93 LEU CG . 36756 1 926 . 1 . 1 93 93 LEU N N 15 123.997 0.000 . 1 . . . . A 93 LEU N . 36756 1 927 . 1 . 1 94 94 ALA H H 1 8.317 0.000 . 1 . . . . A 94 ALA H . 36756 1 928 . 1 . 1 94 94 ALA HA H 1 3.950 0.000 . 1 . . . . A 94 ALA HA . 36756 1 929 . 1 . 1 94 94 ALA HB1 H 1 1.362 0.000 . 1 . . . . A 94 ALA HB1 . 36756 1 930 . 1 . 1 94 94 ALA HB2 H 1 1.362 0.000 . 1 . . . . A 94 ALA HB2 . 36756 1 931 . 1 . 1 94 94 ALA HB3 H 1 1.362 0.000 . 1 . . . . A 94 ALA HB3 . 36756 1 932 . 1 . 1 94 94 ALA CA C 13 53.199 0.000 . 1 . . . . A 94 ALA CA . 36756 1 933 . 1 . 1 94 94 ALA CB C 13 15.281 0.000 . 1 . . . . A 94 ALA CB . 36756 1 934 . 1 . 1 94 94 ALA N N 15 120.571 0.000 . 1 . . . . A 94 ALA N . 36756 1 935 . 1 . 1 95 95 LEU H H 1 8.030 0.000 . 1 . . . . A 95 LEU H . 36756 1 936 . 1 . 1 95 95 LEU HA H 1 4.250 0.000 . 1 . . . . A 95 LEU HA . 36756 1 937 . 1 . 1 95 95 LEU HB2 H 1 1.476 0.000 . . . . . . A 95 LEU HB2 . 36756 1 938 . 1 . 1 95 95 LEU HB3 H 1 1.872 0.000 . . . . . . A 95 LEU HB3 . 36756 1 939 . 1 . 1 95 95 LEU HD11 H 1 0.861 0.000 . . . . . . A 95 LEU HD11 . 36756 1 940 . 1 . 1 95 95 LEU HD12 H 1 0.861 0.000 . . . . . . A 95 LEU HD12 . 36756 1 941 . 1 . 1 95 95 LEU HD13 H 1 0.861 0.000 . . . . . . A 95 LEU HD13 . 36756 1 942 . 1 . 1 95 95 LEU HD21 H 1 0.678 0.000 . . . . . . A 95 LEU HD21 . 36756 1 943 . 1 . 1 95 95 LEU HD22 H 1 0.678 0.000 . . . . . . A 95 LEU HD22 . 36756 1 944 . 1 . 1 95 95 LEU HD23 H 1 0.678 0.000 . . . . . . A 95 LEU HD23 . 36756 1 945 . 1 . 1 95 95 LEU CA C 13 55.289 0.000 . 1 . . . . A 95 LEU CA . 36756 1 946 . 1 . 1 95 95 LEU CB C 13 38.701 0.000 . 1 . . . . A 95 LEU CB . 36756 1 947 . 1 . 1 95 95 LEU CD1 C 13 23.114 0.000 . . . . . . A 95 LEU CD1 . 36756 1 948 . 1 . 1 95 95 LEU CD2 C 13 19.516 0.000 . . . . . . A 95 LEU CD2 . 36756 1 949 . 1 . 1 95 95 LEU N N 15 116.680 0.000 . 1 . . . . A 95 LEU N . 36756 1 950 . 1 . 1 96 96 SER H H 1 8.146 0.000 . 1 . . . . A 96 SER H . 36756 1 951 . 1 . 1 96 96 SER HA H 1 4.267 0.000 . 1 . . . . A 96 SER HA . 36756 1 952 . 1 . 1 96 96 SER HB2 H 1 4.039 0.000 . . . . . . A 96 SER HB2 . 36756 1 953 . 1 . 1 96 96 SER HB3 H 1 3.986 0.000 . . . . . . A 96 SER HB3 . 36756 1 954 . 1 . 1 96 96 SER CA C 13 58.957 0.000 . 1 . . . . A 96 SER CA . 36756 1 955 . 1 . 1 96 96 SER CB C 13 60.100 0.000 . 1 . . . . A 96 SER CB . 36756 1 956 . 1 . 1 96 96 SER N N 15 117.868 0.000 . 1 . . . . A 96 SER N . 36756 1 957 . 1 . 1 97 97 LEU H H 1 7.581 0.000 . 1 . . . . A 97 LEU H . 36756 1 958 . 1 . 1 97 97 LEU HA H 1 4.364 0.000 . 1 . . . . A 97 LEU HA . 36756 1 959 . 1 . 1 97 97 LEU HB2 H 1 1.657 0.000 . . . . . . A 97 LEU HB2 . 36756 1 960 . 1 . 1 97 97 LEU HB3 H 1 1.856 0.000 . . . . . . A 97 LEU HB3 . 36756 1 961 . 1 . 1 97 97 LEU HD11 H 1 0.809 0.000 . . . . . . A 97 LEU HD11 . 36756 1 962 . 1 . 1 97 97 LEU HD12 H 1 0.809 0.000 . . . . . . A 97 LEU HD12 . 36756 1 963 . 1 . 1 97 97 LEU HD13 H 1 0.809 0.000 . . . . . . A 97 LEU HD13 . 36756 1 964 . 1 . 1 97 97 LEU HD21 H 1 0.865 0.000 . . . . . . A 97 LEU HD21 . 36756 1 965 . 1 . 1 97 97 LEU HD22 H 1 0.865 0.000 . . . . . . A 97 LEU HD22 . 36756 1 966 . 1 . 1 97 97 LEU HD23 H 1 0.865 0.000 . . . . . . A 97 LEU HD23 . 36756 1 967 . 1 . 1 97 97 LEU CA C 13 52.143 0.000 . 1 . . . . A 97 LEU CA . 36756 1 968 . 1 . 1 97 97 LEU CB C 13 40.895 0.000 . 1 . . . . A 97 LEU CB . 36756 1 969 . 1 . 1 97 97 LEU CD1 C 13 20.091 0.000 . . . . . . A 97 LEU CD1 . 36756 1 970 . 1 . 1 97 97 LEU CD2 C 13 24.011 0.000 . . . . . . A 97 LEU CD2 . 36756 1 971 . 1 . 1 97 97 LEU N N 15 120.760 0.000 . 1 . . . . A 97 LEU N . 36756 1 972 . 1 . 1 98 98 GLY H H 1 7.391 0.000 . 1 . . . . A 98 GLY H . 36756 1 973 . 1 . 1 98 98 GLY HA2 H 1 4.421 0.000 . . . . . . A 98 GLY HA2 . 36756 1 974 . 1 . 1 98 98 GLY HA3 H 1 3.629 0.000 . . . . . . A 98 GLY HA3 . 36756 1 975 . 1 . 1 98 98 GLY CA C 13 42.307 0.000 . 1 . . . . A 98 GLY CA . 36756 1 976 . 1 . 1 98 98 GLY N N 15 102.914 0.000 . 1 . . . . A 98 GLY N . 36756 1 977 . 1 . 1 99 99 ALA H H 1 7.996 0.000 . 1 . . . . A 99 ALA H . 36756 1 978 . 1 . 1 99 99 ALA HA H 1 4.063 0.000 . 1 . . . . A 99 ALA HA . 36756 1 979 . 1 . 1 99 99 ALA HB1 H 1 1.084 0.000 . 1 . . . . A 99 ALA HB1 . 36756 1 980 . 1 . 1 99 99 ALA HB2 H 1 1.084 0.000 . 1 . . . . A 99 ALA HB2 . 36756 1 981 . 1 . 1 99 99 ALA HB3 H 1 1.084 0.000 . 1 . . . . A 99 ALA HB3 . 36756 1 982 . 1 . 1 99 99 ALA CA C 13 50.478 0.000 . 1 . . . . A 99 ALA CA . 36756 1 983 . 1 . 1 99 99 ALA CB C 13 15.948 0.000 . 1 . . . . A 99 ALA CB . 36756 1 984 . 1 . 1 99 99 ALA N N 15 122.708 0.000 . 1 . . . . A 99 ALA N . 36756 1 985 . 1 . 1 100 100 ARG H H 1 8.675 0.000 . 1 . . . . A 100 ARG H . 36756 1 986 . 1 . 1 100 100 ARG HA H 1 4.309 0.000 . 1 . . . . A 100 ARG HA . 36756 1 987 . 1 . 1 100 100 ARG HB2 H 1 1.758 0.000 . . . . . . A 100 ARG HB2 . 36756 1 988 . 1 . 1 100 100 ARG HB3 H 1 1.885 0.000 . . . . . . A 100 ARG HB3 . 36756 1 989 . 1 . 1 100 100 ARG HD2 H 1 3.273 0.000 . . . . . . A 100 ARG HD2 . 36756 1 990 . 1 . 1 100 100 ARG HD3 H 1 3.255 0.000 . . . . . . A 100 ARG HD3 . 36756 1 991 . 1 . 1 100 100 ARG HG2 H 1 1.722 0.000 . . . . . . A 100 ARG HG2 . 36756 1 992 . 1 . 1 100 100 ARG HG3 H 1 2.013 0.000 . . . . . . A 100 ARG HG3 . 36756 1 993 . 1 . 1 100 100 ARG CA C 13 52.963 0.000 . 1 . . . . A 100 ARG CA . 36756 1 994 . 1 . 1 100 100 ARG CB C 13 28.118 0.000 . 1 . . . . A 100 ARG CB . 36756 1 995 . 1 . 1 100 100 ARG CD C 13 38.599 0.000 . 1 . . . . A 100 ARG CD . 36756 1 996 . 1 . 1 100 100 ARG CG C 13 24.019 0.000 . 1 . . . . A 100 ARG CG . 36756 1 997 . 1 . 1 100 100 ARG N N 15 118.151 0.000 . 1 . . . . A 100 ARG N . 36756 1 998 . 1 . 1 101 101 LYS H H 1 7.395 0.000 . 1 . . . . A 101 LYS H . 36756 1 999 . 1 . 1 101 101 LYS HA H 1 4.447 0.000 . 1 . . . . A 101 LYS HA . 36756 1 1000 . 1 . 1 101 101 LYS HB2 H 1 1.674 0.000 . . . . . . A 101 LYS HB2 . 36756 1 1001 . 1 . 1 101 101 LYS HB3 H 1 1.630 0.000 . . . . . . A 101 LYS HB3 . 36756 1 1002 . 1 . 1 101 101 LYS CA C 13 51.325 0.000 . 1 . . . . A 101 LYS CA . 36756 1 1003 . 1 . 1 101 101 LYS CB C 13 34.428 0.000 . 1 . . . . A 101 LYS CB . 36756 1 1004 . 1 . 1 101 101 LYS N N 15 115.664 0.000 . 1 . . . . A 101 LYS N . 36756 1 1005 . 1 . 1 102 102 VAL H H 1 8.657 0.000 . 1 . . . . A 102 VAL H . 36756 1 1006 . 1 . 1 102 102 VAL HA H 1 4.934 0.000 . 1 . . . . A 102 VAL HA . 36756 1 1007 . 1 . 1 102 102 VAL HB H 1 1.870 0.000 . 1 . . . . A 102 VAL HB . 36756 1 1008 . 1 . 1 102 102 VAL HG11 H 1 0.733 0.000 . . . . . . A 102 VAL HG11 . 36756 1 1009 . 1 . 1 102 102 VAL HG12 H 1 0.733 0.000 . . . . . . A 102 VAL HG12 . 36756 1 1010 . 1 . 1 102 102 VAL HG13 H 1 0.733 0.000 . . . . . . A 102 VAL HG13 . 36756 1 1011 . 1 . 1 102 102 VAL HG21 H 1 0.802 0.000 . . . . . . A 102 VAL HG21 . 36756 1 1012 . 1 . 1 102 102 VAL HG22 H 1 0.802 0.000 . . . . . . A 102 VAL HG22 . 36756 1 1013 . 1 . 1 102 102 VAL HG23 H 1 0.802 0.000 . . . . . . A 102 VAL HG23 . 36756 1 1014 . 1 . 1 102 102 VAL CA C 13 57.734 0.000 . 1 . . . . A 102 VAL CA . 36756 1 1015 . 1 . 1 102 102 VAL CB C 13 30.958 0.000 . 1 . . . . A 102 VAL CB . 36756 1 1016 . 1 . 1 102 102 VAL CG1 C 13 19.178 0.000 . . . . . . A 102 VAL CG1 . 36756 1 1017 . 1 . 1 102 102 VAL CG2 C 13 18.291 0.000 . . . . . . A 102 VAL CG2 . 36756 1 1018 . 1 . 1 102 102 VAL N N 15 124.564 0.000 . 1 . . . . A 102 VAL N . 36756 1 1019 . 1 . 1 103 103 MET H H 1 9.199 0.000 . 1 . . . . A 103 MET H . 36756 1 1020 . 1 . 1 103 103 MET HA H 1 4.608 0.000 . 1 . . . . A 103 MET HA . 36756 1 1021 . 1 . 1 103 103 MET HB2 H 1 1.498 0.000 . . . . . . A 103 MET HB2 . 36756 1 1022 . 1 . 1 103 103 MET HB3 H 1 1.764 0.000 . . . . . . A 103 MET HB3 . 36756 1 1023 . 1 . 1 103 103 MET HG2 H 1 2.235 0.000 . . . . . . A 103 MET HG2 . 36756 1 1024 . 1 . 1 103 103 MET HG3 H 1 2.089 0.000 . . . . . . A 103 MET HG3 . 36756 1 1025 . 1 . 1 103 103 MET CA C 13 51.701 0.000 . 1 . . . . A 103 MET CA . 36756 1 1026 . 1 . 1 103 103 MET CB C 13 33.048 0.000 . 1 . . . . A 103 MET CB . 36756 1 1027 . 1 . 1 103 103 MET CG C 13 29.818 0.000 . 1 . . . . A 103 MET CG . 36756 1 1028 . 1 . 1 103 103 MET N N 15 125.947 0.000 . 1 . . . . A 103 MET N . 36756 1 1029 . 1 . 1 104 104 ARG H H 1 8.327 0.000 . 1 . . . . A 104 ARG H . 36756 1 1030 . 1 . 1 104 104 ARG HA H 1 4.747 0.000 . 1 . . . . A 104 ARG HA . 36756 1 1031 . 1 . 1 104 104 ARG HB2 H 1 1.614 0.000 . . . . . . A 104 ARG HB2 . 36756 1 1032 . 1 . 1 104 104 ARG HB3 H 1 1.623 0.000 . . . . . . A 104 ARG HB3 . 36756 1 1033 . 1 . 1 104 104 ARG HD2 H 1 3.087 0.000 . . . . . . A 104 ARG HD2 . 36756 1 1034 . 1 . 1 104 104 ARG HD3 H 1 3.072 0.000 . . . . . . A 104 ARG HD3 . 36756 1 1035 . 1 . 1 104 104 ARG HG2 H 1 1.779 0.000 . . . . . . A 104 ARG HG2 . 36756 1 1036 . 1 . 1 104 104 ARG HG3 H 1 1.585 0.000 . . . . . . A 104 ARG HG3 . 36756 1 1037 . 1 . 1 104 104 ARG CA C 13 52.134 0.000 . 1 . . . . A 104 ARG CA . 36756 1 1038 . 1 . 1 104 104 ARG CB C 13 28.513 0.000 . 1 . . . . A 104 ARG CB . 36756 1 1039 . 1 . 1 104 104 ARG CD C 13 41.078 0.000 . 1 . . . . A 104 ARG CD . 36756 1 1040 . 1 . 1 104 104 ARG CG C 13 24.027 0.000 . 1 . . . . A 104 ARG CG . 36756 1 1041 . 1 . 1 104 104 ARG N N 15 123.811 0.000 . 1 . . . . A 104 ARG N . 36756 1 1042 . 1 . 1 105 105 LYS H H 1 8.768 0.000 . 1 . . . . A 105 LYS H . 36756 1 1043 . 1 . 1 105 105 LYS HA H 1 4.396 0.000 . 1 . . . . A 105 LYS HA . 36756 1 1044 . 1 . 1 105 105 LYS HB2 H 1 1.701 0.000 . . . . . . A 105 LYS HB2 . 36756 1 1045 . 1 . 1 105 105 LYS HB3 H 1 1.704 0.000 . . . . . . A 105 LYS HB3 . 36756 1 1046 . 1 . 1 105 105 LYS HD2 H 1 1.486 0.000 . . . . . . A 105 LYS HD2 . 36756 1 1047 . 1 . 1 105 105 LYS HD3 H 1 1.635 0.000 . . . . . . A 105 LYS HD3 . 36756 1 1048 . 1 . 1 105 105 LYS HE2 H 1 2.909 0.000 . . . . . . A 105 LYS HE2 . 36756 1 1049 . 1 . 1 105 105 LYS HE3 H 1 2.902 0.000 . . . . . . A 105 LYS HE3 . 36756 1 1050 . 1 . 1 105 105 LYS CA C 13 51.884 0.000 . 1 . . . . A 105 LYS CA . 36756 1 1051 . 1 . 1 105 105 LYS CB C 13 30.721 0.000 . 1 . . . . A 105 LYS CB . 36756 1 1052 . 1 . 1 105 105 LYS CD C 13 28.102 0.000 . 1 . . . . A 105 LYS CD . 36756 1 1053 . 1 . 1 105 105 LYS CE C 13 39.177 0.000 . 1 . . . . A 105 LYS CE . 36756 1 1054 . 1 . 1 105 105 LYS CG C 13 23.356 0.000 . 1 . . . . A 105 LYS CG . 36756 1 1055 . 1 . 1 105 105 LYS N N 15 122.637 0.000 . 1 . . . . A 105 LYS N . 36756 1 1056 . 1 . 1 107 107 PHE H H 1 7.395 0.000 . 1 . . . . A 107 PHE H . 36756 1 1057 . 1 . 1 107 107 PHE HA H 1 5.198 0.000 . 1 . . . . A 107 PHE HA . 36756 1 1058 . 1 . 1 107 107 PHE HB2 H 1 3.253 0.000 . . . . . . A 107 PHE HB2 . 36756 1 1059 . 1 . 1 107 107 PHE HB3 H 1 3.166 0.000 . . . . . . A 107 PHE HB3 . 36756 1 1060 . 1 . 1 107 107 PHE CA C 13 51.070 0.000 . 1 . . . . A 107 PHE CA . 36756 1 1061 . 1 . 1 107 107 PHE CB C 13 38.450 0.000 . 1 . . . . A 107 PHE CB . 36756 1 1062 . 1 . 1 107 107 PHE N N 15 117.017 0.000 . 1 . . . . A 107 PHE N . 36756 1 1063 . 1 . 1 108 108 SER H H 1 8.982 0.000 . 1 . . . . A 108 SER H . 36756 1 1064 . 1 . 1 108 108 SER CA C 13 52.411 0.000 . 1 . . . . A 108 SER CA . 36756 1 1065 . 1 . 1 108 108 SER CB C 13 60.850 0.000 . 1 . . . . A 108 SER CB . 36756 1 1066 . 1 . 1 108 108 SER N N 15 117.710 0.000 . 1 . . . . A 108 SER N . 36756 1 1067 . 1 . 1 110 110 SER H H 1 8.059 0.000 . 1 . . . . A 110 SER H . 36756 1 1068 . 1 . 1 110 110 SER HA H 1 4.171 0.000 . 1 . . . . A 110 SER HA . 36756 1 1069 . 1 . 1 110 110 SER HB2 H 1 3.878 0.000 . . . . . . A 110 SER HB2 . 36756 1 1070 . 1 . 1 110 110 SER HB3 H 1 3.892 0.000 . . . . . . A 110 SER HB3 . 36756 1 1071 . 1 . 1 110 110 SER CA C 13 58.455 0.000 . 1 . . . . A 110 SER CA . 36756 1 1072 . 1 . 1 110 110 SER CB C 13 59.444 0.000 . 1 . . . . A 110 SER CB . 36756 1 1073 . 1 . 1 110 110 SER N N 15 111.091 0.000 . 1 . . . . A 110 SER N . 36756 1 1074 . 1 . 1 111 111 GLN H H 1 7.558 0.000 . 1 . . . . A 111 GLN H . 36756 1 1075 . 1 . 1 111 111 GLN HA H 1 4.102 0.000 . 1 . . . . A 111 GLN HA . 36756 1 1076 . 1 . 1 111 111 GLN HB2 H 1 2.185 0.000 . . . . . . A 111 GLN HB2 . 36756 1 1077 . 1 . 1 111 111 GLN HB3 H 1 2.219 0.000 . . . . . . A 111 GLN HB3 . 36756 1 1078 . 1 . 1 111 111 GLN HG2 H 1 2.436 0.000 . . . . . . A 111 GLN HG2 . 36756 1 1079 . 1 . 1 111 111 GLN HG3 H 1 2.509 0.000 . . . . . . A 111 GLN HG3 . 36756 1 1080 . 1 . 1 111 111 GLN CA C 13 55.875 0.000 . 1 . . . . A 111 GLN CA . 36756 1 1081 . 1 . 1 111 111 GLN CB C 13 26.068 0.000 . 1 . . . . A 111 GLN CB . 36756 1 1082 . 1 . 1 111 111 GLN CG C 13 31.490 0.000 . 1 . . . . A 111 GLN CG . 36756 1 1083 . 1 . 1 111 111 GLN N N 15 123.500 0.000 . 1 . . . . A 111 GLN N . 36756 1 1084 . 1 . 1 112 112 PHE H H 1 7.989 0.000 . 1 . . . . A 112 PHE H . 36756 1 1085 . 1 . 1 112 112 PHE HA H 1 3.768 0.000 . 1 . . . . A 112 PHE HA . 36756 1 1086 . 1 . 1 112 112 PHE HB2 H 1 2.785 0.000 . . . . . . A 112 PHE HB2 . 36756 1 1087 . 1 . 1 112 112 PHE HB3 H 1 3.111 0.000 . . . . . . A 112 PHE HB3 . 36756 1 1088 . 1 . 1 112 112 PHE CA C 13 58.956 0.000 . 1 . . . . A 112 PHE CA . 36756 1 1089 . 1 . 1 112 112 PHE CB C 13 37.152 0.000 . 1 . . . . A 112 PHE CB . 36756 1 1090 . 1 . 1 112 112 PHE N N 15 119.100 0.000 . 1 . . . . A 112 PHE N . 36756 1 1091 . 1 . 1 113 113 ILE H H 1 8.210 0.000 . 1 . . . . A 113 ILE H . 36756 1 1092 . 1 . 1 113 113 ILE HA H 1 3.424 0.000 . 1 . . . . A 113 ILE HA . 36756 1 1093 . 1 . 1 113 113 ILE HB H 1 2.160 0.000 . 1 . . . . A 113 ILE HB . 36756 1 1094 . 1 . 1 113 113 ILE HD11 H 1 0.753 0.000 . 1 . . . . A 113 ILE HD11 . 36756 1 1095 . 1 . 1 113 113 ILE HD12 H 1 0.753 0.000 . 1 . . . . A 113 ILE HD12 . 36756 1 1096 . 1 . 1 113 113 ILE HD13 H 1 0.753 0.000 . 1 . . . . A 113 ILE HD13 . 36756 1 1097 . 1 . 1 113 113 ILE HG12 H 1 1.728 0.000 . . . . . . A 113 ILE HG12 . 36756 1 1098 . 1 . 1 113 113 ILE HG13 H 1 1.608 0.000 . . . . . . A 113 ILE HG13 . 36756 1 1099 . 1 . 1 113 113 ILE HG21 H 1 0.881 0.000 . 1 . . . . A 113 ILE HG21 . 36756 1 1100 . 1 . 1 113 113 ILE HG22 H 1 0.881 0.000 . 1 . . . . A 113 ILE HG22 . 36756 1 1101 . 1 . 1 113 113 ILE HG23 H 1 0.881 0.000 . 1 . . . . A 113 ILE HG23 . 36756 1 1102 . 1 . 1 113 113 ILE CA C 13 59.351 0.000 . 1 . . . . A 113 ILE CA . 36756 1 1103 . 1 . 1 113 113 ILE CB C 13 33.324 0.000 . 1 . . . . A 113 ILE CB . 36756 1 1104 . 1 . 1 113 113 ILE CD1 C 13 7.869 0.000 . 1 . . . . A 113 ILE CD1 . 36756 1 1105 . 1 . 1 113 113 ILE CG1 C 13 24.887 0.000 . 1 . . . . A 113 ILE CG1 . 36756 1 1106 . 1 . 1 113 113 ILE CG2 C 13 15.266 0.000 . 1 . . . . A 113 ILE CG2 . 36756 1 1107 . 1 . 1 113 113 ILE N N 15 118.159 0.000 . 1 . . . . A 113 ILE N . 36756 1 1108 . 1 . 1 114 114 GLU H H 1 7.538 0.000 . 1 . . . . A 114 GLU H . 36756 1 1109 . 1 . 1 114 114 GLU HA H 1 3.848 0.000 . 1 . . . . A 114 GLU HA . 36756 1 1110 . 1 . 1 114 114 GLU HB2 H 1 2.094 0.000 . . . . . . A 114 GLU HB2 . 36756 1 1111 . 1 . 1 114 114 GLU HB3 H 1 1.978 0.000 . . . . . . A 114 GLU HB3 . 36756 1 1112 . 1 . 1 114 114 GLU HG2 H 1 2.268 0.000 . . . . . . A 114 GLU HG2 . 36756 1 1113 . 1 . 1 114 114 GLU HG3 H 1 2.193 0.000 . . . . . . A 114 GLU HG3 . 36756 1 1114 . 1 . 1 114 114 GLU CA C 13 56.993 0.000 . 1 . . . . A 114 GLU CA . 36756 1 1115 . 1 . 1 114 114 GLU CB C 13 26.502 0.000 . 1 . . . . A 114 GLU CB . 36756 1 1116 . 1 . 1 114 114 GLU CG C 13 33.576 0.000 . 1 . . . . A 114 GLU CG . 36756 1 1117 . 1 . 1 114 114 GLU N N 15 119.567 0.000 . 1 . . . . A 114 GLU N . 36756 1 1118 . 1 . 1 115 115 GLU H H 1 7.490 0.000 . 1 . . . . A 115 GLU H . 36756 1 1119 . 1 . 1 115 115 GLU HA H 1 4.155 0.000 . 1 . . . . A 115 GLU HA . 36756 1 1120 . 1 . 1 115 115 GLU HB2 H 1 1.720 0.000 . . . . . . A 115 GLU HB2 . 36756 1 1121 . 1 . 1 115 115 GLU HB3 H 1 1.803 0.000 . . . . . . A 115 GLU HB3 . 36756 1 1122 . 1 . 1 115 115 GLU HG2 H 1 2.432 0.000 . . . . . . A 115 GLU HG2 . 36756 1 1123 . 1 . 1 115 115 GLU HG3 H 1 2.246 0.000 . . . . . . A 115 GLU HG3 . 36756 1 1124 . 1 . 1 115 115 GLU CA C 13 55.674 0.000 . 1 . . . . A 115 GLU CA . 36756 1 1125 . 1 . 1 115 115 GLU CB C 13 26.028 0.000 . 1 . . . . A 115 GLU CB . 36756 1 1126 . 1 . 1 115 115 GLU CG C 13 32.142 0.000 . 1 . . . . A 115 GLU CG . 36756 1 1127 . 1 . 1 115 115 GLU N N 15 118.106 0.000 . 1 . . . . A 115 GLU N . 36756 1 1128 . 1 . 1 116 116 VAL H H 1 7.679 0.000 . 1 . . . . A 116 VAL H . 36756 1 1129 . 1 . 1 116 116 VAL HA H 1 2.996 0.000 . 1 . . . . A 116 VAL HA . 36756 1 1130 . 1 . 1 116 116 VAL HB H 1 1.798 0.000 . 1 . . . . A 116 VAL HB . 36756 1 1131 . 1 . 1 116 116 VAL HG11 H 1 0.311 0.000 . . . . . . A 116 VAL HG11 . 36756 1 1132 . 1 . 1 116 116 VAL HG12 H 1 0.311 0.000 . . . . . . A 116 VAL HG12 . 36756 1 1133 . 1 . 1 116 116 VAL HG13 H 1 0.311 0.000 . . . . . . A 116 VAL HG13 . 36756 1 1134 . 1 . 1 116 116 VAL HG21 H 1 -0.008 0.000 . . . . . . A 116 VAL HG21 . 36756 1 1135 . 1 . 1 116 116 VAL HG22 H 1 -0.008 0.000 . . . . . . A 116 VAL HG22 . 36756 1 1136 . 1 . 1 116 116 VAL HG23 H 1 -0.008 0.000 . . . . . . A 116 VAL HG23 . 36756 1 1137 . 1 . 1 116 116 VAL CA C 13 64.306 0.000 . 1 . . . . A 116 VAL CA . 36756 1 1138 . 1 . 1 116 116 VAL CB C 13 28.710 0.000 . 1 . . . . A 116 VAL CB . 36756 1 1139 . 1 . 1 116 116 VAL CG1 C 13 18.139 0.000 . . . . . . A 116 VAL CG1 . 36756 1 1140 . 1 . 1 116 116 VAL CG2 C 13 19.973 0.000 . . . . . . A 116 VAL CG2 . 36756 1 1141 . 1 . 1 116 116 VAL N N 15 120.553 0.000 . 1 . . . . A 116 VAL N . 36756 1 1142 . 1 . 1 117 117 LYS H H 1 8.192 0.000 . 1 . . . . A 117 LYS H . 36756 1 1143 . 1 . 1 117 117 LYS HA H 1 3.730 0.000 . 1 . . . . A 117 LYS HA . 36756 1 1144 . 1 . 1 117 117 LYS HB2 H 1 1.747 0.000 . . . . . . A 117 LYS HB2 . 36756 1 1145 . 1 . 1 117 117 LYS HB3 H 1 1.727 0.000 . . . . . . A 117 LYS HB3 . 36756 1 1146 . 1 . 1 117 117 LYS CA C 13 57.695 0.000 . 1 . . . . A 117 LYS CA . 36756 1 1147 . 1 . 1 117 117 LYS CB C 13 29.380 0.000 . 1 . . . . A 117 LYS CB . 36756 1 1148 . 1 . 1 117 117 LYS CD C 13 26.917 0.000 . 1 . . . . A 117 LYS CD . 36756 1 1149 . 1 . 1 117 117 LYS CE C 13 39.525 0.000 . 1 . . . . A 117 LYS CE . 36756 1 1150 . 1 . 1 117 117 LYS CG C 13 25.702 0.000 . 1 . . . . A 117 LYS CG . 36756 1 1151 . 1 . 1 117 117 LYS N N 15 117.752 0.000 . 1 . . . . A 117 LYS N . 36756 1 1152 . 1 . 1 118 118 HIS H H 1 7.752 0.000 . 1 . . . . A 118 HIS H . 36756 1 1153 . 1 . 1 118 118 HIS HA H 1 4.436 0.000 . 1 . . . . A 118 HIS HA . 36756 1 1154 . 1 . 1 118 118 HIS HB2 H 1 3.264 0.000 . . . . . . A 118 HIS HB2 . 36756 1 1155 . 1 . 1 118 118 HIS HB3 H 1 3.243 0.000 . . . . . . A 118 HIS HB3 . 36756 1 1156 . 1 . 1 118 118 HIS CA C 13 55.801 0.000 . 1 . . . . A 118 HIS CA . 36756 1 1157 . 1 . 1 118 118 HIS CB C 13 26.443 0.000 . 1 . . . . A 118 HIS CB . 36756 1 1158 . 1 . 1 118 118 HIS N N 15 115.236 0.000 . 1 . . . . A 118 HIS N . 36756 1 1159 . 1 . 1 119 119 LEU H H 1 7.536 0.000 . 1 . . . . A 119 LEU H . 36756 1 1160 . 1 . 1 119 119 LEU HA H 1 4.103 0.000 . 1 . . . . A 119 LEU HA . 36756 1 1161 . 1 . 1 119 119 LEU HB2 H 1 1.257 0.000 . . . . . . A 119 LEU HB2 . 36756 1 1162 . 1 . 1 119 119 LEU HB3 H 1 1.703 0.000 . . . . . . A 119 LEU HB3 . 36756 1 1163 . 1 . 1 119 119 LEU HD11 H 1 0.751 0.000 . . . . . . A 119 LEU HD11 . 36756 1 1164 . 1 . 1 119 119 LEU HD12 H 1 0.751 0.000 . . . . . . A 119 LEU HD12 . 36756 1 1165 . 1 . 1 119 119 LEU HD13 H 1 0.751 0.000 . . . . . . A 119 LEU HD13 . 36756 1 1166 . 1 . 1 119 119 LEU HD21 H 1 0.669 0.000 . . . . . . A 119 LEU HD21 . 36756 1 1167 . 1 . 1 119 119 LEU HD22 H 1 0.669 0.000 . . . . . . A 119 LEU HD22 . 36756 1 1168 . 1 . 1 119 119 LEU HD23 H 1 0.669 0.000 . . . . . . A 119 LEU HD23 . 36756 1 1169 . 1 . 1 119 119 LEU HG H 1 1.474 0.000 . 1 . . . . A 119 LEU HG . 36756 1 1170 . 1 . 1 119 119 LEU CA C 13 54.277 0.000 . 1 . . . . A 119 LEU CA . 36756 1 1171 . 1 . 1 119 119 LEU CB C 13 39.870 0.000 . 1 . . . . A 119 LEU CB . 36756 1 1172 . 1 . 1 119 119 LEU CD1 C 13 21.130 0.000 . . . . . . A 119 LEU CD1 . 36756 1 1173 . 1 . 1 119 119 LEU CD2 C 13 23.432 0.000 . . . . . . A 119 LEU CD2 . 36756 1 1174 . 1 . 1 119 119 LEU CG C 13 23.638 0.000 . 1 . . . . A 119 LEU CG . 36756 1 1175 . 1 . 1 119 119 LEU N N 15 118.009 0.000 . 1 . . . . A 119 LEU N . 36756 1 1176 . 1 . 1 120 120 LEU H H 1 7.795 0.000 . 1 . . . . A 120 LEU H . 36756 1 1177 . 1 . 1 120 120 LEU HA H 1 4.328 0.000 . 1 . . . . A 120 LEU HA . 36756 1 1178 . 1 . 1 120 120 LEU HB2 H 1 1.673 0.000 . . . . . . A 120 LEU HB2 . 36756 1 1179 . 1 . 1 120 120 LEU HB3 H 1 1.381 0.000 . . . . . . A 120 LEU HB3 . 36756 1 1180 . 1 . 1 120 120 LEU HD11 H 1 0.293 0.000 . . . . . . A 120 LEU HD11 . 36756 1 1181 . 1 . 1 120 120 LEU HD12 H 1 0.293 0.000 . . . . . . A 120 LEU HD12 . 36756 1 1182 . 1 . 1 120 120 LEU HD13 H 1 0.293 0.000 . . . . . . A 120 LEU HD13 . 36756 1 1183 . 1 . 1 120 120 LEU HD21 H 1 0.616 0.000 . . . . . . A 120 LEU HD21 . 36756 1 1184 . 1 . 1 120 120 LEU HD22 H 1 0.616 0.000 . . . . . . A 120 LEU HD22 . 36756 1 1185 . 1 . 1 120 120 LEU HD23 H 1 0.616 0.000 . . . . . . A 120 LEU HD23 . 36756 1 1186 . 1 . 1 120 120 LEU HG H 1 1.526 0.000 . 1 . . . . A 120 LEU HG . 36756 1 1187 . 1 . 1 120 120 LEU CA C 13 52.593 0.000 . 1 . . . . A 120 LEU CA . 36756 1 1188 . 1 . 1 120 120 LEU CB C 13 39.602 0.000 . 1 . . . . A 120 LEU CB . 36756 1 1189 . 1 . 1 120 120 LEU CD1 C 13 23.428 0.000 . . . . . . A 120 LEU CD1 . 36756 1 1190 . 1 . 1 120 120 LEU CD2 C 13 21.060 0.000 . . . . . . A 120 LEU CD2 . 36756 1 1191 . 1 . 1 120 120 LEU CG C 13 23.552 0.000 . 1 . . . . A 120 LEU CG . 36756 1 1192 . 1 . 1 120 120 LEU N N 15 117.147 0.000 . 1 . . . . A 120 LEU N . 36756 1 1193 . 1 . 1 121 121 ASN H H 1 7.717 0.000 . 1 . . . . A 121 ASN H . 36756 1 1194 . 1 . 1 121 121 ASN HA H 1 4.657 0.000 . 1 . . . . A 121 ASN HA . 36756 1 1195 . 1 . 1 121 121 ASN HB2 H 1 2.932 0.000 . . . . . . A 121 ASN HB2 . 36756 1 1196 . 1 . 1 121 121 ASN HB3 H 1 2.782 0.000 . . . . . . A 121 ASN HB3 . 36756 1 1197 . 1 . 1 121 121 ASN CA C 13 51.109 0.000 . 1 . . . . A 121 ASN CA . 36756 1 1198 . 1 . 1 121 121 ASN CB C 13 36.084 0.000 . 1 . . . . A 121 ASN CB . 36756 1 1199 . 1 . 1 121 121 ASN N N 15 117.317 0.000 . 1 . . . . A 121 ASN N . 36756 1 1200 . 1 . 1 122 122 GLU H H 1 7.663 0.000 . 1 . . . . A 122 GLU H . 36756 1 1201 . 1 . 1 122 122 GLU HA H 1 4.100 0.000 . 1 . . . . A 122 GLU HA . 36756 1 1202 . 1 . 1 122 122 GLU HB2 H 1 2.035 0.000 . . . . . . A 122 GLU HB2 . 36756 1 1203 . 1 . 1 122 122 GLU HB3 H 1 1.854 0.000 . . . . . . A 122 GLU HB3 . 36756 1 1204 . 1 . 1 122 122 GLU HG2 H 1 2.207 0.000 . . . . . . A 122 GLU HG2 . 36756 1 1205 . 1 . 1 122 122 GLU HG3 H 1 2.172 0.000 . . . . . . A 122 GLU HG3 . 36756 1 1206 . 1 . 1 122 122 GLU CA C 13 55.565 0.000 . 1 . . . . A 122 GLU CA . 36756 1 1207 . 1 . 1 122 122 GLU CB C 13 28.710 0.000 . 1 . . . . A 122 GLU CB . 36756 1 1208 . 1 . 1 122 122 GLU CG C 13 34.290 0.000 . 1 . . . . A 122 GLU CG . 36756 1 1209 . 1 . 1 122 122 GLU N N 15 125.049 0.000 . 1 . . . . A 122 GLU N . 36756 1 stop_ save_