data_36005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36005 _Entry.Title ; The NMR structure of calmodulin in CTAB reverse micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-16 _Entry.Accession_date 2016-07-08 _Entry.Last_release_date 2016-09-26 _Entry.Original_release_date 2016-09-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Xu G. . . . 36005 2 K. Cheng K. . . . 36005 3 Q. Wu Q. . . . 36005 4 M. Liu M. . . . 36005 5 C. Li C. . . . 36005 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 36005 compact . 36005 two-domain . 36005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 36005 '15N chemical shifts' 139 36005 '1H chemical shifts' 787 36005 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 . . 2016-09-26 . original BMRB . 36005 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5GGM 'BMRB Entry Tracking System' 36005 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36005 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The NMR structure of calmodulin in CTAB reverse micelles ; _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 G. Xu G. . . . 36005 1 2 K. Cheng K. . . . 36005 1 3 Q. Wu Q. . . . 36005 1 4 M. Liu M. . . . 36005 1 5 C. Li C. . . . 36005 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36005 _Assembly.ID 1 _Assembly.Name Calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36005 1 2 entity_CA 2 $entity_CA B A no . . . . . . 36005 1 3 entity_CA 2 $entity_CA C A no . . . . . . 36005 1 4 entity_CA 2 $entity_CA D A no . . . . . . 36005 1 5 entity_TB 3 $entity_TB E A no . . . . . . 36005 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 entity_1 1 ASP 20 20 OD2 . 2 entity_CA 2 CA 1 1 CA . . ASP 20 OD2 . . . . CA 36005 1 2 'metal coordination' single . 1 entity_1 1 GLU 31 31 OE2 . 2 entity_CA 2 CA 1 1 CA . . GLU 31 OE2 . . . . CA 36005 1 3 'metal coordination' single . 1 entity_1 1 ASP 56 56 OD1 . 5 entity_TB 3 TB 1 1 TB . . ASP 56 OD1 . . . . TB 36005 1 4 'metal coordination' single . 1 entity_1 1 ASP 58 58 OD2 . 5 entity_TB 3 TB 1 1 TB . . ASP 58 OD2 . . . . TB 36005 1 5 'metal coordination' single . 1 entity_1 1 ASP 60 60 OD1 . 5 entity_TB 3 TB 1 1 TB . . ASP 60 OD1 . . . . TB 36005 1 6 'metal coordination' single . 1 entity_1 1 ASP 60 60 OD2 . 5 entity_TB 3 TB 1 1 TB . . ASP 60 OD2 . . . . TB 36005 1 7 'metal coordination' single . 1 entity_1 1 THR 62 62 O . 5 entity_TB 3 TB 1 1 TB . . THR 62 O . . . . TB 36005 1 8 'metal coordination' single . 1 entity_1 1 GLU 67 67 OE1 . 5 entity_TB 3 TB 1 1 TB . . GLU 67 OE1 . . . . TB 36005 1 9 'metal coordination' single . 1 entity_1 1 GLU 67 67 OE2 . 5 entity_TB 3 TB 1 1 TB . . GLU 67 OE2 . . . . TB 36005 1 10 'metal coordination' single . 1 entity_1 1 ASP 93 93 OD1 . 3 entity_CA 2 CA 1 1 CA . . ASP 93 OD1 . . . . CA 36005 1 11 'metal coordination' single . 1 entity_1 1 GLU 11 11 OE1 . 3 entity_CA 2 CA 1 1 CA . . GLU 11 OE1 . . . . CA 36005 1 12 'metal coordination' single . 1 entity_1 1 GLU 14 14 OE1 . 4 entity_CA 2 CA 1 1 CA . . GLU 14 OE1 . . . . CA 36005 1 13 'metal coordination' single . 1 entity_1 1 GLU 14 14 OE2 . 4 entity_CA 2 CA 1 1 CA . . GLU 14 OE2 . . . . CA 36005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36005 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGD GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation N60D _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16722.334 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CaM na 36005 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 36005 1 2 2 ASP . 36005 1 3 3 GLN . 36005 1 4 4 LEU . 36005 1 5 5 THR . 36005 1 6 6 GLU . 36005 1 7 7 GLU . 36005 1 8 8 GLN . 36005 1 9 9 ILE . 36005 1 10 10 ALA . 36005 1 11 11 GLU . 36005 1 12 12 PHE . 36005 1 13 13 LYS . 36005 1 14 14 GLU . 36005 1 15 15 ALA . 36005 1 16 16 PHE . 36005 1 17 17 SER . 36005 1 18 18 LEU . 36005 1 19 19 PHE . 36005 1 20 20 ASP . 36005 1 21 21 LYS . 36005 1 22 22 ASP . 36005 1 23 23 GLY . 36005 1 24 24 ASP . 36005 1 25 25 GLY . 36005 1 26 26 THR . 36005 1 27 27 ILE . 36005 1 28 28 THR . 36005 1 29 29 THR . 36005 1 30 30 LYS . 36005 1 31 31 GLU . 36005 1 32 32 LEU . 36005 1 33 33 GLY . 36005 1 34 34 THR . 36005 1 35 35 VAL . 36005 1 36 36 MET . 36005 1 37 37 ARG . 36005 1 38 38 SER . 36005 1 39 39 LEU . 36005 1 40 40 GLY . 36005 1 41 41 GLN . 36005 1 42 42 ASN . 36005 1 43 43 PRO . 36005 1 44 44 THR . 36005 1 45 45 GLU . 36005 1 46 46 ALA . 36005 1 47 47 GLU . 36005 1 48 48 LEU . 36005 1 49 49 GLN . 36005 1 50 50 ASP . 36005 1 51 51 MET . 36005 1 52 52 ILE . 36005 1 53 53 ASN . 36005 1 54 54 GLU . 36005 1 55 55 VAL . 36005 1 56 56 ASP . 36005 1 57 57 ALA . 36005 1 58 58 ASP . 36005 1 59 59 GLY . 36005 1 60 60 ASP . 36005 1 61 61 GLY . 36005 1 62 62 THR . 36005 1 63 63 ILE . 36005 1 64 64 ASP . 36005 1 65 65 PHE . 36005 1 66 66 PRO . 36005 1 67 67 GLU . 36005 1 68 68 PHE . 36005 1 69 69 LEU . 36005 1 70 70 THR . 36005 1 71 71 MET . 36005 1 72 72 MET . 36005 1 73 73 ALA . 36005 1 74 74 ARG . 36005 1 75 75 LYS . 36005 1 76 76 MET . 36005 1 77 77 LYS . 36005 1 78 78 ASP . 36005 1 79 79 THR . 36005 1 80 80 ASP . 36005 1 81 81 SER . 36005 1 82 82 GLU . 36005 1 83 83 GLU . 36005 1 84 84 GLU . 36005 1 85 85 ILE . 36005 1 86 86 ARG . 36005 1 87 87 GLU . 36005 1 88 88 ALA . 36005 1 89 89 PHE . 36005 1 90 90 ARG . 36005 1 91 91 VAL . 36005 1 92 92 PHE . 36005 1 93 93 ASP . 36005 1 94 94 LYS . 36005 1 95 95 ASP . 36005 1 96 96 GLY . 36005 1 97 97 ASN . 36005 1 98 98 GLY . 36005 1 99 99 TYR . 36005 1 100 100 ILE . 36005 1 101 101 SER . 36005 1 102 102 ALA . 36005 1 103 103 ALA . 36005 1 104 104 GLU . 36005 1 105 105 LEU . 36005 1 106 106 ARG . 36005 1 107 107 HIS . 36005 1 108 108 VAL . 36005 1 109 109 MET . 36005 1 110 110 THR . 36005 1 111 111 ASN . 36005 1 112 112 LEU . 36005 1 113 113 GLY . 36005 1 114 114 GLU . 36005 1 115 115 LYS . 36005 1 116 116 LEU . 36005 1 117 117 THR . 36005 1 118 118 ASP . 36005 1 119 119 GLU . 36005 1 120 120 GLU . 36005 1 121 121 VAL . 36005 1 122 122 ASP . 36005 1 123 123 GLU . 36005 1 124 124 MET . 36005 1 125 125 ILE . 36005 1 126 126 ARG . 36005 1 127 127 GLU . 36005 1 128 128 ALA . 36005 1 129 129 ASP . 36005 1 130 130 ILE . 36005 1 131 131 ASP . 36005 1 132 132 GLY . 36005 1 133 133 ASP . 36005 1 134 134 GLY . 36005 1 135 135 GLN . 36005 1 136 136 VAL . 36005 1 137 137 ASN . 36005 1 138 138 TYR . 36005 1 139 139 GLU . 36005 1 140 140 GLU . 36005 1 141 141 PHE . 36005 1 142 142 VAL . 36005 1 143 143 GLN . 36005 1 144 144 MET . 36005 1 145 145 MET . 36005 1 146 146 THR . 36005 1 147 147 ALA . 36005 1 148 148 LYS . 36005 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 . ALA 1 1 36005 1 . ASP 2 2 36005 1 . GLN 3 3 36005 1 . LEU 4 4 36005 1 . THR 5 5 36005 1 . GLU 6 6 36005 1 . GLU 7 7 36005 1 . GLN 8 8 36005 1 . ILE 9 9 36005 1 . ALA 10 10 36005 1 . GLU 11 11 36005 1 . PHE 12 12 36005 1 . LYS 13 13 36005 1 . GLU 14 14 36005 1 . ALA 15 15 36005 1 . PHE 16 16 36005 1 . SER 17 17 36005 1 . LEU 18 18 36005 1 . PHE 19 19 36005 1 . ASP 20 20 36005 1 . LYS 21 21 36005 1 . ASP 22 22 36005 1 . GLY 23 23 36005 1 . ASP 24 24 36005 1 . GLY 25 25 36005 1 . THR 26 26 36005 1 . ILE 27 27 36005 1 . THR 28 28 36005 1 . THR 29 29 36005 1 . LYS 30 30 36005 1 . GLU 31 31 36005 1 . LEU 32 32 36005 1 . GLY 33 33 36005 1 . THR 34 34 36005 1 . VAL 35 35 36005 1 . MET 36 36 36005 1 . ARG 37 37 36005 1 . SER 38 38 36005 1 . LEU 39 39 36005 1 . GLY 40 40 36005 1 . GLN 41 41 36005 1 . ASN 42 42 36005 1 . PRO 43 43 36005 1 . THR 44 44 36005 1 . GLU 45 45 36005 1 . ALA 46 46 36005 1 . GLU 47 47 36005 1 . LEU 48 48 36005 1 . GLN 49 49 36005 1 . ASP 50 50 36005 1 . MET 51 51 36005 1 . ILE 52 52 36005 1 . ASN 53 53 36005 1 . GLU 54 54 36005 1 . VAL 55 55 36005 1 . ASP 56 56 36005 1 . ALA 57 57 36005 1 . ASP 58 58 36005 1 . GLY 59 59 36005 1 . ASP 60 60 36005 1 . GLY 61 61 36005 1 . THR 62 62 36005 1 . ILE 63 63 36005 1 . ASP 64 64 36005 1 . PHE 65 65 36005 1 . PRO 66 66 36005 1 . GLU 67 67 36005 1 . PHE 68 68 36005 1 . LEU 69 69 36005 1 . THR 70 70 36005 1 . MET 71 71 36005 1 . MET 72 72 36005 1 . ALA 73 73 36005 1 . ARG 74 74 36005 1 . LYS 75 75 36005 1 . MET 76 76 36005 1 . LYS 77 77 36005 1 . ASP 78 78 36005 1 . THR 79 79 36005 1 . ASP 80 80 36005 1 . SER 81 81 36005 1 . GLU 82 82 36005 1 . GLU 83 83 36005 1 . GLU 84 84 36005 1 . ILE 85 85 36005 1 . ARG 86 86 36005 1 . GLU 87 87 36005 1 . ALA 88 88 36005 1 . PHE 89 89 36005 1 . ARG 90 90 36005 1 . VAL 91 91 36005 1 . PHE 92 92 36005 1 . ASP 93 93 36005 1 . LYS 94 94 36005 1 . ASP 95 95 36005 1 . GLY 96 96 36005 1 . ASN 97 97 36005 1 . GLY 98 98 36005 1 . TYR 99 99 36005 1 . ILE 100 100 36005 1 . SER 101 101 36005 1 . ALA 102 102 36005 1 . ALA 103 103 36005 1 . GLU 104 104 36005 1 . LEU 105 105 36005 1 . ARG 106 106 36005 1 . HIS 107 107 36005 1 . VAL 108 108 36005 1 . MET 109 109 36005 1 . THR 110 110 36005 1 . ASN 111 111 36005 1 . LEU 112 112 36005 1 . GLY 113 113 36005 1 . GLU 114 114 36005 1 . LYS 115 115 36005 1 . LEU 116 116 36005 1 . THR 117 117 36005 1 . ASP 118 118 36005 1 . GLU 119 119 36005 1 . GLU 120 120 36005 1 . VAL 121 121 36005 1 . ASP 122 122 36005 1 . GLU 123 123 36005 1 . MET 124 124 36005 1 . ILE 125 125 36005 1 . ARG 126 126 36005 1 . GLU 127 127 36005 1 . ALA 128 128 36005 1 . ASP 129 129 36005 1 . ILE 130 130 36005 1 . ASP 131 131 36005 1 . GLY 132 132 36005 1 . ASP 133 133 36005 1 . GLY 134 134 36005 1 . GLN 135 135 36005 1 . VAL 136 136 36005 1 . ASN 137 137 36005 1 . TYR 138 138 36005 1 . GLU 139 139 36005 1 . GLU 140 140 36005 1 . PHE 141 141 36005 1 . VAL 142 142 36005 1 . GLN 143 143 36005 1 . MET 144 144 36005 1 . MET 145 145 36005 1 . THR 146 146 36005 1 . ALA 147 147 36005 1 . LYS 148 148 36005 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 36005 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 36005 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 36005 2 CA 'Three letter code' 36005 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 36005 2 stop_ save_ save_entity_TB _Entity.Sf_category entity _Entity.Sf_framecode entity_TB _Entity.Entry_ID 36005 _Entity.ID 3 _Entity.BMRB_code TB _Entity.Name 'TERBIUM(III) ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _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 TB _Entity.Nonpolymer_comp_label $chem_comp_TB _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 158.925 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TERBIUM(III) ION' BMRB 36005 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'TERBIUM(III) ION' BMRB 36005 3 TB 'Three letter code' 36005 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 TB $chem_comp_TB 36005 3 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 36005 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM, CAM' . 36005 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 36005 _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' . . 83333 Escherichia coli K-12 . . . . . . . . . 36005 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 36005 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _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 Ca _Chem_comp.Formula_weight 40.078 _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 RCSB _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 36005 CA InChI=1S/Ca/q+2 InChI InChI 1.03 36005 CA [Ca++] SMILES CACTVS 3.341 36005 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 36005 CA [Ca+2] SMILES ACDLabs 10.04 36005 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 36005 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36005 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 36005 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36005 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36005 CA stop_ save_ save_chem_comp_TB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TB _Chem_comp.Entry_ID 36005 _Chem_comp.ID TB _Chem_comp.Provenance PDB _Chem_comp.Name 'TERBIUM(III) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code TB _Chem_comp.PDB_code TB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code TB _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Tb/q+3 _Chem_comp.Mon_nstd_flag . _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 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Tb _Chem_comp.Formula_weight 158.925 _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 HKCRVXUAKWXBLE-UHFFFAOYSA-N InChIKey InChI 1.03 36005 TB InChI=1S/Tb/q+3 InChI InChI 1.03 36005 TB [Tb+3] SMILES ACDLabs 10.04 36005 TB [Tb+3] SMILES CACTVS 3.341 36005 TB [Tb+3] SMILES 'OpenEye OEToolkits' 1.5.0 36005 TB [Tb+3] SMILES_CANONICAL CACTVS 3.341 36005 TB [Tb+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36005 TB 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 'terbium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36005 TB terbium(3+) 'SYSTEMATIC NAME' ACDLabs 10.04 36005 TB 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 TB TB TB TB . TB . . N 3 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36005 TB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36005 _Sample.ID 1 _Sample.Type 'reverse micelle' _Sample.Sub_type . _Sample.Details '0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 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 Calmodulin '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . protein 0.25 . . mM . . . . 36005 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36005 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36005 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36005 _Sample.ID 2 _Sample.Type 'reverse micelle' _Sample.Sub_type . _Sample.Details '0.25 mM [U-13C; U-15N] Calmodulin, 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 Calmodulin '[U-13C; U-15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 36005 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36005 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36005 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36005 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 36005 1 pH 6.5 . pH 36005 1 pressure 1 . atm 36005 1 temperature 298 . K 36005 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36005 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36005 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36005 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36005 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 36005 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36005 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36005 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36005 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36005 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36005 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36005 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36005 4 'structure calculation' 36005 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 36005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details HCN-cyroprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 36005 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details HCN-cyroprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36005 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 36005 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 36005 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36005 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 8 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 10 '3D 15N_NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 11 '3D 13C_NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 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 36005 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.65 na indirect 0.251449530 . . . . . 36005 1 H 1 water protons . . . . ppm 4.65 internal direct 1.0 . . . . . 36005 1 N 15 water protons . . . . ppm 4.65 na indirect 0.101329118 . . . . . 36005 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 36005 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 4 '3D HN(CO)CA' 1 $sample_1 isotropic 36005 1 8 '3D CBCANH' 2 $sample_2 isotropic 36005 1 9 '3D HNCA' 2 $sample_2 isotropic 36005 1 10 '3D 15N_NOESY-HSQC' 2 $sample_2 isotropic 36005 1 11 '3D 13C_NOESY-HSQC' 2 $sample_2 isotropic 36005 1 12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36005 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 2 $software_2 . . 36005 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN H H 1 8.209 . . . . . . A 3 GLN H . 36005 1 2 . 1 1 3 3 GLN HA H 1 4.315 . . . . . . A 3 GLN HA . 36005 1 3 . 1 1 3 3 GLN HB2 H 1 2.013 . . . . . . A 3 GLN HB2 . 36005 1 4 . 1 1 3 3 GLN HB3 H 1 1.893 . . . . . . A 3 GLN HB3 . 36005 1 5 . 1 1 3 3 GLN HG2 H 1 2.279 . . . . . . A 3 GLN HG2 . 36005 1 6 . 1 1 3 3 GLN HG3 H 1 2.279 . . . . . . A 3 GLN HG3 . 36005 1 7 . 1 1 3 3 GLN CA C 13 54.239 . . . . . . A 3 GLN CA . 36005 1 8 . 1 1 3 3 GLN CB C 13 28.570 . . . . . . A 3 GLN CB . 36005 1 9 . 1 1 3 3 GLN CG C 13 32.536 . . . . . . A 3 GLN CG . 36005 1 10 . 1 1 3 3 GLN N N 15 120.005 . . . . . . A 3 GLN N . 36005 1 11 . 1 1 4 4 LEU H H 1 8.188 . . . . . . A 4 LEU H . 36005 1 12 . 1 1 4 4 LEU HA H 1 4.588 . . . . . . A 4 LEU HA . 36005 1 13 . 1 1 4 4 LEU HB2 H 1 1.667 . . . . . . A 4 LEU HB2 . 36005 1 14 . 1 1 4 4 LEU HB3 H 1 1.424 . . . . . . A 4 LEU HB3 . 36005 1 15 . 1 1 4 4 LEU HD11 H 1 0.843 . . . . . . A 4 LEU HD11 . 36005 1 16 . 1 1 4 4 LEU HD12 H 1 0.843 . . . . . . A 4 LEU HD12 . 36005 1 17 . 1 1 4 4 LEU HD13 H 1 0.843 . . . . . . A 4 LEU HD13 . 36005 1 18 . 1 1 4 4 LEU HD21 H 1 0.834 . . . . . . A 4 LEU HD21 . 36005 1 19 . 1 1 4 4 LEU HD22 H 1 0.834 . . . . . . A 4 LEU HD22 . 36005 1 20 . 1 1 4 4 LEU HD23 H 1 0.834 . . . . . . A 4 LEU HD23 . 36005 1 21 . 1 1 4 4 LEU CA C 13 53.125 . . . . . . A 4 LEU CA . 36005 1 22 . 1 1 4 4 LEU CB C 13 42.209 . . . . . . A 4 LEU CB . 36005 1 23 . 1 1 4 4 LEU CD1 C 13 25.604 . . . . . . A 4 LEU CD1 . 36005 1 24 . 1 1 4 4 LEU CD2 C 13 22.299 . . . . . . A 4 LEU CD2 . 36005 1 25 . 1 1 4 4 LEU N N 15 123.611 . . . . . . A 4 LEU N . 36005 1 26 . 1 1 5 5 THR H H 1 8.678 . . . . . . A 5 THR H . 36005 1 27 . 1 1 5 5 THR HA H 1 4.386 . . . . . . A 5 THR HA . 36005 1 28 . 1 1 5 5 THR HB H 1 4.702 . . . . . . A 5 THR HB . 36005 1 29 . 1 1 5 5 THR HG21 H 1 1.258 . . . . . . A 5 THR HG21 . 36005 1 30 . 1 1 5 5 THR HG22 H 1 1.258 . . . . . . A 5 THR HG22 . 36005 1 31 . 1 1 5 5 THR HG23 H 1 1.258 . . . . . . A 5 THR HG23 . 36005 1 32 . 1 1 5 5 THR CA C 13 59.217 . . . . . . A 5 THR CA . 36005 1 33 . 1 1 5 5 THR CB C 13 69.956 . . . . . . A 5 THR CB . 36005 1 34 . 1 1 5 5 THR CG2 C 13 20.439 . . . . . . A 5 THR CG2 . 36005 1 35 . 1 1 5 5 THR N N 15 113.586 . . . . . . A 5 THR N . 36005 1 36 . 1 1 6 6 GLU H H 1 8.936 . . . . . . A 6 GLU H . 36005 1 37 . 1 1 6 6 GLU HA H 1 3.904 . . . . . . A 6 GLU HA . 36005 1 38 . 1 1 6 6 GLU HB2 H 1 1.982 . . . . . . A 6 GLU HB2 . 36005 1 39 . 1 1 6 6 GLU HB3 H 1 1.982 . . . . . . A 6 GLU HB3 . 36005 1 40 . 1 1 6 6 GLU HG2 H 1 2.306 . . . . . . A 6 GLU HG2 . 36005 1 41 . 1 1 6 6 GLU HG3 H 1 2.306 . . . . . . A 6 GLU HG3 . 36005 1 42 . 1 1 6 6 GLU CA C 13 58.962 . . . . . . A 6 GLU CA . 36005 1 43 . 1 1 6 6 GLU CB C 13 27.980 . . . . . . A 6 GLU CB . 36005 1 44 . 1 1 6 6 GLU CG C 13 35.421 . . . . . . A 6 GLU CG . 36005 1 45 . 1 1 6 6 GLU N N 15 121.101 . . . . . . A 6 GLU N . 36005 1 46 . 1 1 7 7 GLU H H 1 8.627 . . . . . . A 7 GLU H . 36005 1 47 . 1 1 7 7 GLU HA H 1 3.964 . . . . . . A 7 GLU HA . 36005 1 48 . 1 1 7 7 GLU HB2 H 1 1.945 . . . . . . A 7 GLU HB2 . 36005 1 49 . 1 1 7 7 GLU HB3 H 1 1.945 . . . . . . A 7 GLU HB3 . 36005 1 50 . 1 1 7 7 GLU HG2 H 1 2.254 . . . . . . A 7 GLU HG2 . 36005 1 51 . 1 1 7 7 GLU CA C 13 58.871 . . . . . . A 7 GLU CA . 36005 1 52 . 1 1 7 7 GLU CB C 13 27.894 . . . . . . A 7 GLU CB . 36005 1 53 . 1 1 7 7 GLU CG C 13 35.849 . . . . . . A 7 GLU CG . 36005 1 54 . 1 1 7 7 GLU N N 15 120.231 . . . . . . A 7 GLU N . 36005 1 55 . 1 1 8 8 GLN H H 1 7.652 . . . . . . A 8 GLN H . 36005 1 56 . 1 1 8 8 GLN HA H 1 3.875 . . . . . . A 8 GLN HA . 36005 1 57 . 1 1 8 8 GLN HG2 H 1 2.285 . . . . . . A 8 GLN HG2 . 36005 1 58 . 1 1 8 8 GLN HG3 H 1 2.285 . . . . . . A 8 GLN HG3 . 36005 1 59 . 1 1 8 8 GLN CA C 13 57.534 . . . . . . A 8 GLN CA . 36005 1 60 . 1 1 8 8 GLN CB C 13 28.003 . . . . . . A 8 GLN CB . 36005 1 61 . 1 1 8 8 GLN N N 15 120.542 . . . . . . A 8 GLN N . 36005 1 62 . 1 1 9 9 ILE H H 1 8.349 . . . . . . A 9 ILE H . 36005 1 63 . 1 1 9 9 ILE HA H 1 3.611 . . . . . . A 9 ILE HA . 36005 1 64 . 1 1 9 9 ILE HB H 1 1.858 . . . . . . A 9 ILE HB . 36005 1 65 . 1 1 9 9 ILE HG12 H 1 0.977 . . . . . . A 9 ILE HG12 . 36005 1 66 . 1 1 9 9 ILE HG13 H 1 0.977 . . . . . . A 9 ILE HG13 . 36005 1 67 . 1 1 9 9 ILE HG21 H 1 1.069 . . . . . . A 9 ILE HG21 . 36005 1 68 . 1 1 9 9 ILE HG22 H 1 1.069 . . . . . . A 9 ILE HG22 . 36005 1 69 . 1 1 9 9 ILE HG23 H 1 1.069 . . . . . . A 9 ILE HG23 . 36005 1 70 . 1 1 9 9 ILE HD11 H 1 0.780 . . . . . . A 9 ILE HD11 . 36005 1 71 . 1 1 9 9 ILE HD12 H 1 0.780 . . . . . . A 9 ILE HD12 . 36005 1 72 . 1 1 9 9 ILE HD13 H 1 0.780 . . . . . . A 9 ILE HD13 . 36005 1 73 . 1 1 9 9 ILE CA C 13 65.274 . . . . . . A 9 ILE CA . 36005 1 74 . 1 1 9 9 ILE CB C 13 36.724 . . . . . . A 9 ILE CB . 36005 1 75 . 1 1 9 9 ILE CG1 C 13 29.044 . . . . . . A 9 ILE CG1 . 36005 1 76 . 1 1 9 9 ILE CG2 C 13 16.170 . . . . . . A 9 ILE CG2 . 36005 1 77 . 1 1 9 9 ILE CD1 C 13 11.783 . . . . . . A 9 ILE CD1 . 36005 1 78 . 1 1 9 9 ILE N N 15 120.139 . . . . . . A 9 ILE N . 36005 1 79 . 1 1 10 10 ALA H H 1 7.884 . . . . . . A 10 ALA H . 36005 1 80 . 1 1 10 10 ALA HA H 1 4.030 . . . . . . A 10 ALA HA . 36005 1 81 . 1 1 10 10 ALA HB1 H 1 1.458 . . . . . . A 10 ALA HB1 . 36005 1 82 . 1 1 10 10 ALA HB2 H 1 1.458 . . . . . . A 10 ALA HB2 . 36005 1 83 . 1 1 10 10 ALA HB3 H 1 1.458 . . . . . . A 10 ALA HB3 . 36005 1 84 . 1 1 10 10 ALA CA C 13 54.128 . . . . . . A 10 ALA CA . 36005 1 85 . 1 1 10 10 ALA CB C 13 16.565 . . . . . . A 10 ALA CB . 36005 1 86 . 1 1 10 10 ALA N N 15 121.614 . . . . . . A 10 ALA N . 36005 1 87 . 1 1 11 11 GLU H H 1 7.709 . . . . . . A 11 GLU H . 36005 1 88 . 1 1 11 11 GLU HA H 1 4.047 . . . . . . A 11 GLU HA . 36005 1 89 . 1 1 11 11 GLU HB2 H 1 2.058 . . . . . . A 11 GLU HB2 . 36005 1 90 . 1 1 11 11 GLU HB3 H 1 2.058 . . . . . . A 11 GLU HB3 . 36005 1 91 . 1 1 11 11 GLU CA C 13 58.274 . . . . . . A 11 GLU CA . 36005 1 92 . 1 1 11 11 GLU CB C 13 28.057 . . . . . . A 11 GLU CB . 36005 1 93 . 1 1 11 11 GLU N N 15 120.166 . . . . . . A 11 GLU N . 36005 1 94 . 1 1 12 12 PHE H H 1 8.507 . . . . . . A 12 PHE H . 36005 1 95 . 1 1 12 12 PHE HA H 1 4.796 . . . . . . A 12 PHE HA . 36005 1 96 . 1 1 12 12 PHE HB2 H 1 3.517 . . . . . . A 12 PHE HB2 . 36005 1 97 . 1 1 12 12 PHE HB3 H 1 3.402 . . . . . . A 12 PHE HB3 . 36005 1 98 . 1 1 12 12 PHE HD1 H 1 7.124 . . . . . . A 12 PHE HD1 . 36005 1 99 . 1 1 12 12 PHE HD2 H 1 7.126 . . . . . . A 12 PHE HD2 . 36005 1 100 . 1 1 12 12 PHE HE1 H 1 7.135 . . . . . . A 12 PHE HE1 . 36005 1 101 . 1 1 12 12 PHE HE2 H 1 7.147 . . . . . . A 12 PHE HE2 . 36005 1 102 . 1 1 12 12 PHE HZ H 1 7.096 . . . . . . A 12 PHE HZ . 36005 1 103 . 1 1 12 12 PHE CA C 13 58.558 . . . . . . A 12 PHE CA . 36005 1 104 . 1 1 12 12 PHE CB C 13 36.516 . . . . . . A 12 PHE CB . 36005 1 105 . 1 1 12 12 PHE N N 15 119.460 . . . . . . A 12 PHE N . 36005 1 106 . 1 1 13 13 LYS H H 1 9.079 . . . . . . A 13 LYS H . 36005 1 107 . 1 1 13 13 LYS HA H 1 3.852 . . . . . . A 13 LYS HA . 36005 1 108 . 1 1 13 13 LYS HB2 H 1 1.847 . . . . . . A 13 LYS HB2 . 36005 1 109 . 1 1 13 13 LYS HB3 H 1 1.847 . . . . . . A 13 LYS HB3 . 36005 1 110 . 1 1 13 13 LYS HG2 H 1 0.935 . . . . . . A 13 LYS HG2 . 36005 1 111 . 1 1 13 13 LYS HG3 H 1 0.935 . . . . . . A 13 LYS HG3 . 36005 1 112 . 1 1 13 13 LYS HD2 H 1 1.071 . . . . . . A 13 LYS HD2 . 36005 1 113 . 1 1 13 13 LYS HD3 H 1 1.071 . . . . . . A 13 LYS HD3 . 36005 1 114 . 1 1 13 13 LYS HE2 H 1 2.483 . . . . . . A 13 LYS HE2 . 36005 1 115 . 1 1 13 13 LYS HE3 H 1 2.483 . . . . . . A 13 LYS HE3 . 36005 1 116 . 1 1 13 13 LYS CA C 13 58.428 . . . . . . A 13 LYS CA . 36005 1 117 . 1 1 13 13 LYS CB C 13 30.402 . . . . . . A 13 LYS CB . 36005 1 118 . 1 1 13 13 LYS CG C 13 23.971 . . . . . . A 13 LYS CG . 36005 1 119 . 1 1 13 13 LYS CD C 13 27.172 . . . . . . A 13 LYS CD . 36005 1 120 . 1 1 13 13 LYS CE C 13 40.591 . . . . . . A 13 LYS CE . 36005 1 121 . 1 1 13 13 LYS N N 15 124.127 . . . . . . A 13 LYS N . 36005 1 122 . 1 1 14 14 GLU H H 1 7.709 . . . . . . A 14 GLU H . 36005 1 123 . 1 1 14 14 GLU HA H 1 4.070 . . . . . . A 14 GLU HA . 36005 1 124 . 1 1 14 14 GLU CA C 13 58.185 . . . . . . A 14 GLU CA . 36005 1 125 . 1 1 14 14 GLU CB C 13 27.852 . . . . . . A 14 GLU CB . 36005 1 126 . 1 1 14 14 GLU N N 15 120.792 . . . . . . A 14 GLU N . 36005 1 127 . 1 1 15 15 ALA H H 1 7.806 . . . . . . A 15 ALA H . 36005 1 128 . 1 1 15 15 ALA HA H 1 4.083 . . . . . . A 15 ALA HA . 36005 1 129 . 1 1 15 15 ALA HB1 H 1 1.791 . . . . . . A 15 ALA HB1 . 36005 1 130 . 1 1 15 15 ALA HB2 H 1 1.791 . . . . . . A 15 ALA HB2 . 36005 1 131 . 1 1 15 15 ALA HB3 H 1 1.791 . . . . . . A 15 ALA HB3 . 36005 1 132 . 1 1 15 15 ALA CA C 13 54.064 . . . . . . A 15 ALA CA . 36005 1 133 . 1 1 15 15 ALA CB C 13 17.076 . . . . . . A 15 ALA CB . 36005 1 134 . 1 1 15 15 ALA N N 15 121.800 . . . . . . A 15 ALA N . 36005 1 135 . 1 1 16 16 PHE H H 1 8.640 . . . . . . A 16 PHE H . 36005 1 136 . 1 1 16 16 PHE HA H 1 3.287 . . . . . . A 16 PHE HA . 36005 1 137 . 1 1 16 16 PHE HB2 H 1 3.107 . . . . . . A 16 PHE HB2 . 36005 1 138 . 1 1 16 16 PHE HB3 H 1 2.735 . . . . . . A 16 PHE HB3 . 36005 1 139 . 1 1 16 16 PHE HD1 H 1 6.565 . . . . . . A 16 PHE HD1 . 36005 1 140 . 1 1 16 16 PHE HE1 H 1 7.163 . . . . . . A 16 PHE HE1 . 36005 1 141 . 1 1 16 16 PHE HZ H 1 6.962 . . . . . . A 16 PHE HZ . 36005 1 142 . 1 1 16 16 PHE CA C 13 60.899 . . . . . . A 16 PHE CA . 36005 1 143 . 1 1 16 16 PHE CB C 13 38.545 . . . . . . A 16 PHE CB . 36005 1 144 . 1 1 16 16 PHE N N 15 119.196 . . . . . . A 16 PHE N . 36005 1 145 . 1 1 17 17 SER H H 1 8.076 . . . . . . A 17 SER H . 36005 1 146 . 1 1 17 17 SER HA H 1 4.039 . . . . . . A 17 SER HA . 36005 1 147 . 1 1 17 17 SER HB2 H 1 3.973 . . . . . . A 17 SER HB2 . 36005 1 148 . 1 1 17 17 SER CA C 13 60.442 . . . . . . A 17 SER CA . 36005 1 149 . 1 1 17 17 SER CB C 13 62.082 . . . . . . A 17 SER CB . 36005 1 150 . 1 1 17 17 SER N N 15 114.057 . . . . . . A 17 SER N . 36005 1 151 . 1 1 18 18 LEU H H 1 7.296 . . . . . . A 18 LEU H . 36005 1 152 . 1 1 18 18 LEU HA H 1 3.924 . . . . . . A 18 LEU HA . 36005 1 153 . 1 1 18 18 LEU HB2 H 1 1.616 . . . . . . A 18 LEU HB2 . 36005 1 154 . 1 1 18 18 LEU HB3 H 1 1.375 . . . . . . A 18 LEU HB3 . 36005 1 155 . 1 1 18 18 LEU HD11 H 1 0.769 . . . . . . A 18 LEU HD11 . 36005 1 156 . 1 1 18 18 LEU HD12 H 1 0.769 . . . . . . A 18 LEU HD12 . 36005 1 157 . 1 1 18 18 LEU HD13 H 1 0.769 . . . . . . A 18 LEU HD13 . 36005 1 158 . 1 1 18 18 LEU HD21 H 1 0.621 . . . . . . A 18 LEU HD21 . 36005 1 159 . 1 1 18 18 LEU HD22 H 1 0.621 . . . . . . A 18 LEU HD22 . 36005 1 160 . 1 1 18 18 LEU HD23 H 1 0.621 . . . . . . A 18 LEU HD23 . 36005 1 161 . 1 1 18 18 LEU CA C 13 55.889 . . . . . . A 18 LEU CA . 36005 1 162 . 1 1 18 18 LEU CB C 13 40.028 . . . . . . A 18 LEU CB . 36005 1 163 . 1 1 18 18 LEU CD1 C 13 23.972 . . . . . . A 18 LEU CD1 . 36005 1 164 . 1 1 18 18 LEU CD2 C 13 22.203 . . . . . . A 18 LEU CD2 . 36005 1 165 . 1 1 18 18 LEU N N 15 120.703 . . . . . . A 18 LEU N . 36005 1 166 . 1 1 19 19 PHE H H 1 7.014 . . . . . . A 19 PHE H . 36005 1 167 . 1 1 19 19 PHE HA H 1 4.114 . . . . . . A 19 PHE HA . 36005 1 168 . 1 1 19 19 PHE HB2 H 1 2.603 . . . . . . A 19 PHE HB2 . 36005 1 169 . 1 1 19 19 PHE HB3 H 1 2.603 . . . . . . A 19 PHE HB3 . 36005 1 170 . 1 1 19 19 PHE HD1 H 1 7.122 . . . . . . A 19 PHE HD1 . 36005 1 171 . 1 1 19 19 PHE HD2 H 1 7.122 . . . . . . A 19 PHE HD2 . 36005 1 172 . 1 1 19 19 PHE CA C 13 57.597 . . . . . . A 19 PHE CA . 36005 1 173 . 1 1 19 19 PHE CB C 13 39.951 . . . . . . A 19 PHE CB . 36005 1 174 . 1 1 19 19 PHE N N 15 114.309 . . . . . . A 19 PHE N . 36005 1 175 . 1 1 20 20 ASP H H 1 7.548 . . . . . . A 20 ASP H . 36005 1 176 . 1 1 20 20 ASP HA H 1 4.490 . . . . . . A 20 ASP HA . 36005 1 177 . 1 1 20 20 ASP HB2 H 1 2.301 . . . . . . A 20 ASP HB2 . 36005 1 178 . 1 1 20 20 ASP HB3 H 1 1.515 . . . . . . A 20 ASP HB3 . 36005 1 179 . 1 1 20 20 ASP CA C 13 51.073 . . . . . . A 20 ASP CA . 36005 1 180 . 1 1 20 20 ASP CB C 13 38.063 . . . . . . A 20 ASP CB . 36005 1 181 . 1 1 20 20 ASP N N 15 117.523 . . . . . . A 20 ASP N . 36005 1 182 . 1 1 21 21 LYS H H 1 7.541 . . . . . . A 21 LYS H . 36005 1 183 . 1 1 21 21 LYS HA H 1 3.912 . . . . . . A 21 LYS HA . 36005 1 184 . 1 1 21 21 LYS HB2 H 1 1.821 . . . . . . A 21 LYS HB2 . 36005 1 185 . 1 1 21 21 LYS HB3 H 1 1.821 . . . . . . A 21 LYS HB3 . 36005 1 186 . 1 1 21 21 LYS HG2 H 1 1.495 . . . . . . A 21 LYS HG2 . 36005 1 187 . 1 1 21 21 LYS HG3 H 1 1.495 . . . . . . A 21 LYS HG3 . 36005 1 188 . 1 1 21 21 LYS CA C 13 56.935 . . . . . . A 21 LYS CA . 36005 1 189 . 1 1 21 21 LYS CB C 13 31.128 . . . . . . A 21 LYS CB . 36005 1 190 . 1 1 21 21 LYS CG C 13 22.914 . . . . . . A 21 LYS CG . 36005 1 191 . 1 1 21 21 LYS CD C 13 26.875 . . . . . . A 21 LYS CD . 36005 1 192 . 1 1 21 21 LYS N N 15 124.613 . . . . . . A 21 LYS N . 36005 1 193 . 1 1 22 22 ASP H H 1 8.021 . . . . . . A 22 ASP H . 36005 1 194 . 1 1 22 22 ASP HA H 1 4.535 . . . . . . A 22 ASP HA . 36005 1 195 . 1 1 22 22 ASP HB2 H 1 2.988 . . . . . . A 22 ASP HB2 . 36005 1 196 . 1 1 22 22 ASP HB3 H 1 2.586 . . . . . . A 22 ASP HB3 . 36005 1 197 . 1 1 22 22 ASP CA C 13 51.714 . . . . . . A 22 ASP CA . 36005 1 198 . 1 1 22 22 ASP CB C 13 38.284 . . . . . . A 22 ASP CB . 36005 1 199 . 1 1 22 22 ASP N N 15 114.721 . . . . . . A 22 ASP N . 36005 1 200 . 1 1 23 23 GLY H H 1 7.619 . . . . . . A 23 GLY H . 36005 1 201 . 1 1 23 23 GLY HA2 H 1 3.816 . . . . . . A 23 GLY HA2 . 36005 1 202 . 1 1 23 23 GLY HA3 H 1 3.816 . . . . . . A 23 GLY HA3 . 36005 1 203 . 1 1 23 23 GLY CA C 13 46.005 . . . . . . A 23 GLY CA . 36005 1 204 . 1 1 23 23 GLY N N 15 110.044 . . . . . . A 23 GLY N . 36005 1 205 . 1 1 24 24 ASP H H 1 8.383 . . . . . . A 24 ASP H . 36005 1 206 . 1 1 24 24 ASP HA H 1 4.427 . . . . . . A 24 ASP HA . 36005 1 207 . 1 1 24 24 ASP HB2 H 1 2.996 . . . . . . A 24 ASP HB2 . 36005 1 208 . 1 1 24 24 ASP HB3 H 1 2.363 . . . . . . A 24 ASP HB3 . 36005 1 209 . 1 1 24 24 ASP CA C 13 52.536 . . . . . . A 24 ASP CA . 36005 1 210 . 1 1 24 24 ASP CB C 13 39.240 . . . . . . A 24 ASP CB . 36005 1 211 . 1 1 24 24 ASP N N 15 121.619 . . . . . . A 24 ASP N . 36005 1 212 . 1 1 25 25 GLY H H 1 10.543 . . . . . . A 25 GLY H . 36005 1 213 . 1 1 25 25 GLY HA2 H 1 4.321 . . . . . . A 25 GLY HA2 . 36005 1 214 . 1 1 25 25 GLY HA3 H 1 3.641 . . . . . . A 25 GLY HA3 . 36005 1 215 . 1 1 25 25 GLY CA C 13 44.049 . . . . . . A 25 GLY CA . 36005 1 216 . 1 1 25 25 GLY N N 15 113.691 . . . . . . A 25 GLY N . 36005 1 217 . 1 1 26 26 THR H H 1 8.142 . . . . . . A 26 THR H . 36005 1 218 . 1 1 26 26 THR HA H 1 5.394 . . . . . . A 26 THR HA . 36005 1 219 . 1 1 26 26 THR HB H 1 3.772 . . . . . . A 26 THR HB . 36005 1 220 . 1 1 26 26 THR HG21 H 1 0.983 . . . . . . A 26 THR HG21 . 36005 1 221 . 1 1 26 26 THR HG22 H 1 0.983 . . . . . . A 26 THR HG22 . 36005 1 222 . 1 1 26 26 THR HG23 H 1 0.983 . . . . . . A 26 THR HG23 . 36005 1 223 . 1 1 26 26 THR CA C 13 58.204 . . . . . . A 26 THR CA . 36005 1 224 . 1 1 26 26 THR CB C 13 71.561 . . . . . . A 26 THR CB . 36005 1 225 . 1 1 26 26 THR CG2 C 13 20.883 . . . . . . A 26 THR CG2 . 36005 1 226 . 1 1 26 26 THR N N 15 112.869 . . . . . . A 26 THR N . 36005 1 227 . 1 1 27 27 ILE H H 1 9.859 . . . . . . A 27 ILE H . 36005 1 228 . 1 1 27 27 ILE HA H 1 4.761 . . . . . . A 27 ILE HA . 36005 1 229 . 1 1 27 27 ILE HB H 1 1.602 . . . . . . A 27 ILE HB . 36005 1 230 . 1 1 27 27 ILE HG21 H 1 0.802 . . . . . . A 27 ILE HG21 . 36005 1 231 . 1 1 27 27 ILE HG22 H 1 0.802 . . . . . . A 27 ILE HG22 . 36005 1 232 . 1 1 27 27 ILE HG23 H 1 0.802 . . . . . . A 27 ILE HG23 . 36005 1 233 . 1 1 27 27 ILE HD11 H 1 0.145 . . . . . . A 27 ILE HD11 . 36005 1 234 . 1 1 27 27 ILE HD12 H 1 0.145 . . . . . . A 27 ILE HD12 . 36005 1 235 . 1 1 27 27 ILE HD13 H 1 0.145 . . . . . . A 27 ILE HD13 . 36005 1 236 . 1 1 27 27 ILE CA C 13 59.618 . . . . . . A 27 ILE CA . 36005 1 237 . 1 1 27 27 ILE CB C 13 38.584 . . . . . . A 27 ILE CB . 36005 1 238 . 1 1 27 27 ILE CG1 C 13 25.526 . . . . . . A 27 ILE CG1 . 36005 1 239 . 1 1 27 27 ILE CG2 C 13 15.933 . . . . . . A 27 ILE CG2 . 36005 1 240 . 1 1 27 27 ILE CD1 C 13 13.737 . . . . . . A 27 ILE CD1 . 36005 1 241 . 1 1 27 27 ILE N N 15 127.518 . . . . . . A 27 ILE N . 36005 1 242 . 1 1 28 28 THR H H 1 8.303 . . . . . . A 28 THR H . 36005 1 243 . 1 1 28 28 THR HA H 1 4.787 . . . . . . A 28 THR HA . 36005 1 244 . 1 1 28 28 THR HB H 1 4.774 . . . . . . A 28 THR HB . 36005 1 245 . 1 1 28 28 THR HG21 H 1 1.218 . . . . . . A 28 THR HG21 . 36005 1 246 . 1 1 28 28 THR HG22 H 1 1.218 . . . . . . A 28 THR HG22 . 36005 1 247 . 1 1 28 28 THR HG23 H 1 1.218 . . . . . . A 28 THR HG23 . 36005 1 248 . 1 1 28 28 THR CA C 13 58.086 . . . . . . A 28 THR CA . 36005 1 249 . 1 1 28 28 THR CB C 13 71.273 . . . . . . A 28 THR CB . 36005 1 250 . 1 1 28 28 THR CG2 C 13 20.651 . . . . . . A 28 THR CG2 . 36005 1 251 . 1 1 28 28 THR N N 15 117.089 . . . . . . A 28 THR N . 36005 1 252 . 1 1 29 29 THR H H 1 9.141 . . . . . . A 29 THR H . 36005 1 253 . 1 1 29 29 THR HA H 1 3.710 . . . . . . A 29 THR HA . 36005 1 254 . 1 1 29 29 THR HB H 1 4.154 . . . . . . A 29 THR HB . 36005 1 255 . 1 1 29 29 THR HG21 H 1 1.202 . . . . . . A 29 THR HG21 . 36005 1 256 . 1 1 29 29 THR HG22 H 1 1.202 . . . . . . A 29 THR HG22 . 36005 1 257 . 1 1 29 29 THR HG23 H 1 1.202 . . . . . . A 29 THR HG23 . 36005 1 258 . 1 1 29 29 THR CA C 13 65.238 . . . . . . A 29 THR CA . 36005 1 259 . 1 1 29 29 THR CB C 13 66.700 . . . . . . A 29 THR CB . 36005 1 260 . 1 1 29 29 THR CG2 C 13 21.936 . . . . . . A 29 THR CG2 . 36005 1 261 . 1 1 29 29 THR N N 15 113.653 . . . . . . A 29 THR N . 36005 1 262 . 1 1 30 30 LYS H H 1 7.567 . . . . . . A 30 LYS H . 36005 1 263 . 1 1 30 30 LYS HA H 1 4.092 . . . . . . A 30 LYS HA . 36005 1 264 . 1 1 30 30 LYS HB2 H 1 1.794 . . . . . . A 30 LYS HB2 . 36005 1 265 . 1 1 30 30 LYS HB3 H 1 1.794 . . . . . . A 30 LYS HB3 . 36005 1 266 . 1 1 30 30 LYS CA C 13 57.864 . . . . . . A 30 LYS CA . 36005 1 267 . 1 1 30 30 LYS CB C 13 31.257 . . . . . . A 30 LYS CB . 36005 1 268 . 1 1 30 30 LYS N N 15 121.864 . . . . . . A 30 LYS N . 36005 1 269 . 1 1 31 31 GLU H H 1 7.693 . . . . . . A 31 GLU H . 36005 1 270 . 1 1 31 31 GLU HA H 1 4.024 . . . . . . A 31 GLU HA . 36005 1 271 . 1 1 31 31 GLU CA C 13 58.312 . . . . . . A 31 GLU CA . 36005 1 272 . 1 1 31 31 GLU CB C 13 28.104 . . . . . . A 31 GLU CB . 36005 1 273 . 1 1 31 31 GLU N N 15 122.529 . . . . . . A 31 GLU N . 36005 1 274 . 1 1 32 32 LEU H H 1 8.560 . . . . . . A 32 LEU H . 36005 1 275 . 1 1 32 32 LEU HA H 1 4.126 . . . . . . A 32 LEU HA . 36005 1 276 . 1 1 32 32 LEU HB2 H 1 1.884 . . . . . . A 32 LEU HB2 . 36005 1 277 . 1 1 32 32 LEU HB3 H 1 1.884 . . . . . . A 32 LEU HB3 . 36005 1 278 . 1 1 32 32 LEU HD11 H 1 0.863 . . . . . . A 32 LEU HD11 . 36005 1 279 . 1 1 32 32 LEU HD12 H 1 0.863 . . . . . . A 32 LEU HD12 . 36005 1 280 . 1 1 32 32 LEU HD13 H 1 0.863 . . . . . . A 32 LEU HD13 . 36005 1 281 . 1 1 32 32 LEU HD21 H 1 0.906 . . . . . . A 32 LEU HD21 . 36005 1 282 . 1 1 32 32 LEU HD22 H 1 0.906 . . . . . . A 32 LEU HD22 . 36005 1 283 . 1 1 32 32 LEU HD23 H 1 0.906 . . . . . . A 32 LEU HD23 . 36005 1 284 . 1 1 32 32 LEU CA C 13 57.034 . . . . . . A 32 LEU CA . 36005 1 285 . 1 1 32 32 LEU CB C 13 40.872 . . . . . . A 32 LEU CB . 36005 1 286 . 1 1 32 32 LEU CD1 C 13 25.235 . . . . . . A 32 LEU CD1 . 36005 1 287 . 1 1 32 32 LEU CD2 C 13 22.338 . . . . . . A 32 LEU CD2 . 36005 1 288 . 1 1 32 32 LEU N N 15 120.883 . . . . . . A 32 LEU N . 36005 1 289 . 1 1 33 33 GLY H H 1 8.763 . . . . . . A 33 GLY H . 36005 1 290 . 1 1 33 33 GLY HA2 H 1 3.877 . . . . . . A 33 GLY HA2 . 36005 1 291 . 1 1 33 33 GLY HA3 H 1 3.503 . . . . . . A 33 GLY HA3 . 36005 1 292 . 1 1 33 33 GLY CA C 13 47.285 . . . . . . A 33 GLY CA . 36005 1 293 . 1 1 33 33 GLY N N 15 107.200 . . . . . . A 33 GLY N . 36005 1 294 . 1 1 34 34 THR H H 1 8.054 . . . . . . A 34 THR H . 36005 1 295 . 1 1 34 34 THR HA H 1 3.891 . . . . . . A 34 THR HA . 36005 1 296 . 1 1 34 34 THR HB H 1 4.337 . . . . . . A 34 THR HB . 36005 1 297 . 1 1 34 34 THR HG21 H 1 1.221 . . . . . . A 34 THR HG21 . 36005 1 298 . 1 1 34 34 THR HG22 H 1 1.221 . . . . . . A 34 THR HG22 . 36005 1 299 . 1 1 34 34 THR HG23 H 1 1.221 . . . . . . A 34 THR HG23 . 36005 1 300 . 1 1 34 34 THR CA C 13 65.903 . . . . . . A 34 THR CA . 36005 1 301 . 1 1 34 34 THR CB C 13 67.464 . . . . . . A 34 THR CB . 36005 1 302 . 1 1 34 34 THR CG2 C 13 20.231 . . . . . . A 34 THR CG2 . 36005 1 303 . 1 1 34 34 THR N N 15 119.542 . . . . . . A 34 THR N . 36005 1 304 . 1 1 35 35 VAL H H 1 7.677 . . . . . . A 35 VAL H . 36005 1 305 . 1 1 35 35 VAL HA H 1 3.525 . . . . . . A 35 VAL HA . 36005 1 306 . 1 1 35 35 VAL HB H 1 2.002 . . . . . . A 35 VAL HB . 36005 1 307 . 1 1 35 35 VAL HG11 H 1 0.777 . . . . . . A 35 VAL HG11 . 36005 1 308 . 1 1 35 35 VAL HG12 H 1 0.777 . . . . . . A 35 VAL HG12 . 36005 1 309 . 1 1 35 35 VAL HG13 H 1 0.777 . . . . . . A 35 VAL HG13 . 36005 1 310 . 1 1 35 35 VAL HG21 H 1 0.445 . . . . . . A 35 VAL HG21 . 36005 1 311 . 1 1 35 35 VAL HG22 H 1 0.445 . . . . . . A 35 VAL HG22 . 36005 1 312 . 1 1 35 35 VAL HG23 H 1 0.445 . . . . . . A 35 VAL HG23 . 36005 1 313 . 1 1 35 35 VAL CA C 13 65.535 . . . . . . A 35 VAL CA . 36005 1 314 . 1 1 35 35 VAL CB C 13 30.438 . . . . . . A 35 VAL CB . 36005 1 315 . 1 1 35 35 VAL CG1 C 13 21.798 . . . . . . A 35 VAL CG1 . 36005 1 316 . 1 1 35 35 VAL CG2 C 13 19.351 . . . . . . A 35 VAL CG2 . 36005 1 317 . 1 1 35 35 VAL N N 15 123.159 . . . . . . A 35 VAL N . 36005 1 318 . 1 1 36 36 MET H H 1 8.456 . . . . . . A 36 MET H . 36005 1 319 . 1 1 36 36 MET HA H 1 3.941 . . . . . . A 36 MET HA . 36005 1 320 . 1 1 36 36 MET HB2 H 1 2.016 . . . . . . A 36 MET HB2 . 36005 1 321 . 1 1 36 36 MET HB3 H 1 2.016 . . . . . . A 36 MET HB3 . 36005 1 322 . 1 1 36 36 MET HG2 H 1 2.487 . . . . . . A 36 MET HG2 . 36005 1 323 . 1 1 36 36 MET HG3 H 1 2.487 . . . . . . A 36 MET HG3 . 36005 1 324 . 1 1 36 36 MET CA C 13 57.721 . . . . . . A 36 MET CA . 36005 1 325 . 1 1 36 36 MET CB C 13 30.179 . . . . . . A 36 MET CB . 36005 1 326 . 1 1 36 36 MET N N 15 117.900 . . . . . . A 36 MET N . 36005 1 327 . 1 1 37 37 ARG H H 1 8.599 . . . . . . A 37 ARG H . 36005 1 328 . 1 1 37 37 ARG CA C 13 58.018 . . . . . . A 37 ARG CA . 36005 1 329 . 1 1 37 37 ARG CB C 13 28.759 . . . . . . A 37 ARG CB . 36005 1 330 . 1 1 37 37 ARG N N 15 119.801 . . . . . . A 37 ARG N . 36005 1 331 . 1 1 38 38 SER H H 1 8.018 . . . . . . A 38 SER H . 36005 1 332 . 1 1 38 38 SER N N 15 120.380 . . . . . . A 38 SER N . 36005 1 333 . 1 1 39 39 LEU H H 1 7.262 . . . . . . A 39 LEU H . 36005 1 334 . 1 1 39 39 LEU HA H 1 4.296 . . . . . . A 39 LEU HA . 36005 1 335 . 1 1 39 39 LEU HB2 H 1 1.761 . . . . . . A 39 LEU HB2 . 36005 1 336 . 1 1 39 39 LEU HB3 H 1 1.761 . . . . . . A 39 LEU HB3 . 36005 1 337 . 1 1 39 39 LEU HD11 H 1 0.691 . . . . . . A 39 LEU HD11 . 36005 1 338 . 1 1 39 39 LEU HD12 H 1 0.691 . . . . . . A 39 LEU HD12 . 36005 1 339 . 1 1 39 39 LEU HD13 H 1 0.691 . . . . . . A 39 LEU HD13 . 36005 1 340 . 1 1 39 39 LEU HD21 H 1 0.647 . . . . . . A 39 LEU HD21 . 36005 1 341 . 1 1 39 39 LEU HD22 H 1 0.647 . . . . . . A 39 LEU HD22 . 36005 1 342 . 1 1 39 39 LEU HD23 H 1 0.647 . . . . . . A 39 LEU HD23 . 36005 1 343 . 1 1 39 39 LEU CA C 13 53.179 . . . . . . A 39 LEU CA . 36005 1 344 . 1 1 39 39 LEU CB C 13 40.565 . . . . . . A 39 LEU CB . 36005 1 345 . 1 1 39 39 LEU CD1 C 13 24.716 . . . . . . A 39 LEU CD1 . 36005 1 346 . 1 1 39 39 LEU CD2 C 13 21.467 . . . . . . A 39 LEU CD2 . 36005 1 347 . 1 1 39 39 LEU N N 15 119.826 . . . . . . A 39 LEU N . 36005 1 348 . 1 1 40 40 GLY H H 1 7.818 . . . . . . A 40 GLY H . 36005 1 349 . 1 1 40 40 GLY HA2 H 1 4.168 . . . . . . A 40 GLY HA2 . 36005 1 350 . 1 1 40 40 GLY HA3 H 1 3.739 . . . . . . A 40 GLY HA3 . 36005 1 351 . 1 1 40 40 GLY CA C 13 44.327 . . . . . . A 40 GLY CA . 36005 1 352 . 1 1 40 40 GLY N N 15 108.018 . . . . . . A 40 GLY N . 36005 1 353 . 1 1 41 41 GLN H H 1 7.833 . . . . . . A 41 GLN H . 36005 1 354 . 1 1 41 41 GLN HA H 1 4.364 . . . . . . A 41 GLN HA . 36005 1 355 . 1 1 41 41 GLN HB2 H 1 2.088 . . . . . . A 41 GLN HB2 . 36005 1 356 . 1 1 41 41 GLN CA C 13 52.574 . . . . . . A 41 GLN CA . 36005 1 357 . 1 1 41 41 GLN CB C 13 28.912 . . . . . . A 41 GLN CB . 36005 1 358 . 1 1 41 41 GLN N N 15 118.705 . . . . . . A 41 GLN N . 36005 1 359 . 1 1 42 42 ASN H H 1 8.623 . . . . . . A 42 ASN H . 36005 1 360 . 1 1 42 42 ASN HA H 1 5.147 . . . . . . A 42 ASN HA . 36005 1 361 . 1 1 42 42 ASN HB2 H 1 2.705 . . . . . . A 42 ASN HB2 . 36005 1 362 . 1 1 42 42 ASN HB3 H 1 2.435 . . . . . . A 42 ASN HB3 . 36005 1 363 . 1 1 42 42 ASN CA C 13 50.100 . . . . . . A 42 ASN CA . 36005 1 364 . 1 1 42 42 ASN CB C 13 38.052 . . . . . . A 42 ASN CB . 36005 1 365 . 1 1 42 42 ASN N N 15 117.074 . . . . . . A 42 ASN N . 36005 1 366 . 1 1 43 43 PRO CA C 13 61.076 . . . . . . A 43 PRO CA . 36005 1 367 . 1 1 44 44 THR H H 1 8.719 . . . . . . A 44 THR H . 36005 1 368 . 1 1 44 44 THR HA H 1 4.383 . . . . . . A 44 THR HA . 36005 1 369 . 1 1 44 44 THR HB H 1 4.663 . . . . . . A 44 THR HB . 36005 1 370 . 1 1 44 44 THR HG21 H 1 1.278 . . . . . . A 44 THR HG21 . 36005 1 371 . 1 1 44 44 THR HG22 H 1 1.278 . . . . . . A 44 THR HG22 . 36005 1 372 . 1 1 44 44 THR HG23 H 1 1.278 . . . . . . A 44 THR HG23 . 36005 1 373 . 1 1 44 44 THR CA C 13 59.255 . . . . . . A 44 THR CA . 36005 1 374 . 1 1 44 44 THR CB C 13 69.988 . . . . . . A 44 THR CB . 36005 1 375 . 1 1 44 44 THR CG2 C 13 20.663 . . . . . . A 44 THR CG2 . 36005 1 376 . 1 1 44 44 THR N N 15 113.539 . . . . . . A 44 THR N . 36005 1 377 . 1 1 45 45 GLU H H 1 8.712 . . . . . . A 45 GLU H . 36005 1 378 . 1 1 45 45 GLU HA H 1 3.938 . . . . . . A 45 GLU HA . 36005 1 379 . 1 1 45 45 GLU HB2 H 1 1.989 . . . . . . A 45 GLU HB2 . 36005 1 380 . 1 1 45 45 GLU HB3 H 1 1.989 . . . . . . A 45 GLU HB3 . 36005 1 381 . 1 1 45 45 GLU HG2 H 1 2.251 . . . . . . A 45 GLU HG2 . 36005 1 382 . 1 1 45 45 GLU HG3 H 1 2.251 . . . . . . A 45 GLU HG3 . 36005 1 383 . 1 1 45 45 GLU CA C 13 58.661 . . . . . . A 45 GLU CA . 36005 1 384 . 1 1 45 45 GLU CB C 13 27.723 . . . . . . A 45 GLU CB . 36005 1 385 . 1 1 45 45 GLU CG C 13 35.057 . . . . . . A 45 GLU CG . 36005 1 386 . 1 1 45 45 GLU N N 15 121.579 . . . . . . A 45 GLU N . 36005 1 387 . 1 1 46 46 ALA H H 1 8.174 . . . . . . A 46 ALA H . 36005 1 388 . 1 1 46 46 ALA HA H 1 4.030 . . . . . . A 46 ALA HA . 36005 1 389 . 1 1 46 46 ALA HB1 H 1 1.317 . . . . . . A 46 ALA HB1 . 36005 1 390 . 1 1 46 46 ALA HB2 H 1 1.317 . . . . . . A 46 ALA HB2 . 36005 1 391 . 1 1 46 46 ALA HB3 H 1 1.317 . . . . . . A 46 ALA HB3 . 36005 1 392 . 1 1 46 46 ALA CA C 13 53.767 . . . . . . A 46 ALA CA . 36005 1 393 . 1 1 46 46 ALA CB C 13 16.928 . . . . . . A 46 ALA CB . 36005 1 394 . 1 1 46 46 ALA N N 15 121.488 . . . . . . A 46 ALA N . 36005 1 395 . 1 1 47 47 GLU H H 1 7.459 . . . . . . A 47 GLU H . 36005 1 396 . 1 1 47 47 GLU HA H 1 3.963 . . . . . . A 47 GLU HA . 36005 1 397 . 1 1 47 47 GLU HB2 H 1 1.849 . . . . . . A 47 GLU HB2 . 36005 1 398 . 1 1 47 47 GLU HB3 H 1 1.849 . . . . . . A 47 GLU HB3 . 36005 1 399 . 1 1 47 47 GLU CA C 13 57.737 . . . . . . A 47 GLU CA . 36005 1 400 . 1 1 47 47 GLU CB C 13 29.003 . . . . . . A 47 GLU CB . 36005 1 401 . 1 1 47 47 GLU N N 15 117.594 . . . . . . A 47 GLU N . 36005 1 402 . 1 1 48 48 LEU H H 1 8.077 . . . . . . A 48 LEU H . 36005 1 403 . 1 1 48 48 LEU HA H 1 3.975 . . . . . . A 48 LEU HA . 36005 1 404 . 1 1 48 48 LEU HB2 H 1 2.050 . . . . . . A 48 LEU HB2 . 36005 1 405 . 1 1 48 48 LEU HB3 H 1 1.152 . . . . . . A 48 LEU HB3 . 36005 1 406 . 1 1 48 48 LEU HD11 H 1 0.787 . . . . . . A 48 LEU HD11 . 36005 1 407 . 1 1 48 48 LEU HD12 H 1 0.787 . . . . . . A 48 LEU HD12 . 36005 1 408 . 1 1 48 48 LEU HD13 H 1 0.787 . . . . . . A 48 LEU HD13 . 36005 1 409 . 1 1 48 48 LEU HD21 H 1 0.743 . . . . . . A 48 LEU HD21 . 36005 1 410 . 1 1 48 48 LEU HD22 H 1 0.743 . . . . . . A 48 LEU HD22 . 36005 1 411 . 1 1 48 48 LEU HD23 H 1 0.743 . . . . . . A 48 LEU HD23 . 36005 1 412 . 1 1 48 48 LEU CA C 13 56.993 . . . . . . A 48 LEU CA . 36005 1 413 . 1 1 48 48 LEU CB C 13 41.304 . . . . . . A 48 LEU CB . 36005 1 414 . 1 1 48 48 LEU CD1 C 13 24.653 . . . . . . A 48 LEU CD1 . 36005 1 415 . 1 1 48 48 LEU CD2 C 13 22.097 . . . . . . A 48 LEU CD2 . 36005 1 416 . 1 1 48 48 LEU N N 15 120.575 . . . . . . A 48 LEU N . 36005 1 417 . 1 1 49 49 GLN H H 1 8.200 . . . . . . A 49 GLN H . 36005 1 418 . 1 1 49 49 GLN HA H 1 3.724 . . . . . . A 49 GLN HA . 36005 1 419 . 1 1 49 49 GLN HB2 H 1 2.134 . . . . . . A 49 GLN HB2 . 36005 1 420 . 1 1 49 49 GLN HB3 H 1 2.073 . . . . . . A 49 GLN HB3 . 36005 1 421 . 1 1 49 49 GLN HG2 H 1 2.380 . . . . . . A 49 GLN HG2 . 36005 1 422 . 1 1 49 49 GLN HG3 H 1 2.380 . . . . . . A 49 GLN HG3 . 36005 1 423 . 1 1 49 49 GLN CA C 13 57.325 . . . . . . A 49 GLN CA . 36005 1 424 . 1 1 49 49 GLN CB C 13 26.874 . . . . . . A 49 GLN CB . 36005 1 425 . 1 1 49 49 GLN CG C 13 32.929 . . . . . . A 49 GLN CG . 36005 1 426 . 1 1 49 49 GLN N N 15 119.173 . . . . . . A 49 GLN N . 36005 1 427 . 1 1 50 50 ASP H H 1 8.056 . . . . . . A 50 ASP H . 36005 1 428 . 1 1 50 50 ASP HA H 1 4.333 . . . . . . A 50 ASP HA . 36005 1 429 . 1 1 50 50 ASP HB2 H 1 2.702 . . . . . . A 50 ASP HB2 . 36005 1 430 . 1 1 50 50 ASP CA C 13 56.378 . . . . . . A 50 ASP CA . 36005 1 431 . 1 1 50 50 ASP CB C 13 38.982 . . . . . . A 50 ASP CB . 36005 1 432 . 1 1 50 50 ASP N N 15 120.574 . . . . . . A 50 ASP N . 36005 1 433 . 1 1 51 51 MET H H 1 7.721 . . . . . . A 51 MET H . 36005 1 434 . 1 1 51 51 MET HA H 1 3.944 . . . . . . A 51 MET HA . 36005 1 435 . 1 1 51 51 MET HB2 H 1 2.761 . . . . . . A 51 MET HB2 . 36005 1 436 . 1 1 51 51 MET HB3 H 1 2.761 . . . . . . A 51 MET HB3 . 36005 1 437 . 1 1 51 51 MET CA C 13 58.318 . . . . . . A 51 MET CA . 36005 1 438 . 1 1 51 51 MET CB C 13 32.238 . . . . . . A 51 MET CB . 36005 1 439 . 1 1 51 51 MET N N 15 119.855 . . . . . . A 51 MET N . 36005 1 440 . 1 1 52 52 ILE H H 1 7.679 . . . . . . A 52 ILE H . 36005 1 441 . 1 1 52 52 ILE HA H 1 3.480 . . . . . . A 52 ILE HA . 36005 1 442 . 1 1 52 52 ILE HB H 1 1.948 . . . . . . A 52 ILE HB . 36005 1 443 . 1 1 52 52 ILE HG12 H 1 1.395 . . . . . . A 52 ILE HG12 . 36005 1 444 . 1 1 52 52 ILE HG13 H 1 1.288 . . . . . . A 52 ILE HG13 . 36005 1 445 . 1 1 52 52 ILE HG21 H 1 0.648 . . . . . . A 52 ILE HG21 . 36005 1 446 . 1 1 52 52 ILE HG22 H 1 0.648 . . . . . . A 52 ILE HG22 . 36005 1 447 . 1 1 52 52 ILE HG23 H 1 0.648 . . . . . . A 52 ILE HG23 . 36005 1 448 . 1 1 52 52 ILE HD11 H 1 0.595 . . . . . . A 52 ILE HD11 . 36005 1 449 . 1 1 52 52 ILE HD12 H 1 0.595 . . . . . . A 52 ILE HD12 . 36005 1 450 . 1 1 52 52 ILE HD13 H 1 0.595 . . . . . . A 52 ILE HD13 . 36005 1 451 . 1 1 52 52 ILE CA C 13 62.519 . . . . . . A 52 ILE CA . 36005 1 452 . 1 1 52 52 ILE CB C 13 35.284 . . . . . . A 52 ILE CB . 36005 1 453 . 1 1 52 52 ILE CG1 C 13 27.503 . . . . . . A 52 ILE CG1 . 36005 1 454 . 1 1 52 52 ILE CG2 C 13 14.978 . . . . . . A 52 ILE CG2 . 36005 1 455 . 1 1 52 52 ILE CD1 C 13 10.082 . . . . . . A 52 ILE CD1 . 36005 1 456 . 1 1 52 52 ILE N N 15 118.493 . . . . . . A 52 ILE N . 36005 1 457 . 1 1 53 53 ASN H H 1 8.598 . . . . . . A 53 ASN H . 36005 1 458 . 1 1 53 53 ASN HA H 1 4.333 . . . . . . A 53 ASN HA . 36005 1 459 . 1 1 53 53 ASN HB2 H 1 2.933 . . . . . . A 53 ASN HB2 . 36005 1 460 . 1 1 53 53 ASN HB3 H 1 2.797 . . . . . . A 53 ASN HB3 . 36005 1 461 . 1 1 53 53 ASN CA C 13 54.698 . . . . . . A 53 ASN CA . 36005 1 462 . 1 1 53 53 ASN CB C 13 36.705 . . . . . . A 53 ASN CB . 36005 1 463 . 1 1 53 53 ASN N N 15 118.554 . . . . . . A 53 ASN N . 36005 1 464 . 1 1 54 54 GLU H H 1 7.370 . . . . . . A 54 GLU H . 36005 1 465 . 1 1 54 54 GLU HA H 1 3.953 . . . . . . A 54 GLU HA . 36005 1 466 . 1 1 54 54 GLU HB2 H 1 2.050 . . . . . . A 54 GLU HB2 . 36005 1 467 . 1 1 54 54 GLU HB3 H 1 1.966 . . . . . . A 54 GLU HB3 . 36005 1 468 . 1 1 54 54 GLU HG2 H 1 2.252 . . . . . . A 54 GLU HG2 . 36005 1 469 . 1 1 54 54 GLU HG3 H 1 2.252 . . . . . . A 54 GLU HG3 . 36005 1 470 . 1 1 54 54 GLU CA C 13 57.531 . . . . . . A 54 GLU CA . 36005 1 471 . 1 1 54 54 GLU CB C 13 28.901 . . . . . . A 54 GLU CB . 36005 1 472 . 1 1 54 54 GLU N N 15 117.090 . . . . . . A 54 GLU N . 36005 1 473 . 1 1 55 55 VAL H H 1 7.095 . . . . . . A 55 VAL H . 36005 1 474 . 1 1 55 55 VAL HA H 1 4.136 . . . . . . A 55 VAL HA . 36005 1 475 . 1 1 55 55 VAL HB H 1 2.050 . . . . . . A 55 VAL HB . 36005 1 476 . 1 1 55 55 VAL HG11 H 1 0.897 . . . . . . A 55 VAL HG11 . 36005 1 477 . 1 1 55 55 VAL HG12 H 1 0.897 . . . . . . A 55 VAL HG12 . 36005 1 478 . 1 1 55 55 VAL HG13 H 1 0.897 . . . . . . A 55 VAL HG13 . 36005 1 479 . 1 1 55 55 VAL HG21 H 1 0.900 . . . . . . A 55 VAL HG21 . 36005 1 480 . 1 1 55 55 VAL HG22 H 1 0.900 . . . . . . A 55 VAL HG22 . 36005 1 481 . 1 1 55 55 VAL HG23 H 1 0.900 . . . . . . A 55 VAL HG23 . 36005 1 482 . 1 1 55 55 VAL CA C 13 59.921 . . . . . . A 55 VAL CA . 36005 1 483 . 1 1 55 55 VAL CB C 13 31.804 . . . . . . A 55 VAL CB . 36005 1 484 . 1 1 55 55 VAL CG1 C 13 21.758 . . . . . . A 55 VAL CG1 . 36005 1 485 . 1 1 55 55 VAL CG2 C 13 19.843 . . . . . . A 55 VAL CG2 . 36005 1 486 . 1 1 55 55 VAL N N 15 113.223 . . . . . . A 55 VAL N . 36005 1 487 . 1 1 56 56 ASP H H 1 7.648 . . . . . . A 56 ASP H . 36005 1 488 . 1 1 56 56 ASP HA H 1 4.368 . . . . . . A 56 ASP HA . 36005 1 489 . 1 1 56 56 ASP HB2 H 1 2.650 . . . . . . A 56 ASP HB2 . 36005 1 490 . 1 1 56 56 ASP CA C 13 52.525 . . . . . . A 56 ASP CA . 36005 1 491 . 1 1 56 56 ASP CB C 13 39.222 . . . . . . A 56 ASP CB . 36005 1 492 . 1 1 56 56 ASP N N 15 121.574 . . . . . . A 56 ASP N . 36005 1 493 . 1 1 57 57 ALA H H 1 8.002 . . . . . . A 57 ALA H . 36005 1 494 . 1 1 57 57 ALA HA H 1 4.152 . . . . . . A 57 ALA HA . 36005 1 495 . 1 1 57 57 ALA HB1 H 1 1.479 . . . . . . A 57 ALA HB1 . 36005 1 496 . 1 1 57 57 ALA HB2 H 1 1.479 . . . . . . A 57 ALA HB2 . 36005 1 497 . 1 1 57 57 ALA HB3 H 1 1.479 . . . . . . A 57 ALA HB3 . 36005 1 498 . 1 1 57 57 ALA CA C 13 53.123 . . . . . . A 57 ALA CA . 36005 1 499 . 1 1 57 57 ALA CB C 13 18.561 . . . . . . A 57 ALA CB . 36005 1 500 . 1 1 57 57 ALA N N 15 132.024 . . . . . . A 57 ALA N . 36005 1 501 . 1 1 58 58 ASP H H 1 8.168 . . . . . . A 58 ASP H . 36005 1 502 . 1 1 58 58 ASP HA H 1 4.490 . . . . . . A 58 ASP HA . 36005 1 503 . 1 1 58 58 ASP HB2 H 1 2.979 . . . . . . A 58 ASP HB2 . 36005 1 504 . 1 1 58 58 ASP HB3 H 1 2.631 . . . . . . A 58 ASP HB3 . 36005 1 505 . 1 1 58 58 ASP CA C 13 51.535 . . . . . . A 58 ASP CA . 36005 1 506 . 1 1 58 58 ASP CB C 13 38.680 . . . . . . A 58 ASP CB . 36005 1 507 . 1 1 58 58 ASP N N 15 114.562 . . . . . . A 58 ASP N . 36005 1 508 . 1 1 59 59 GLY H H 1 7.520 . . . . . . A 59 GLY H . 36005 1 509 . 1 1 59 59 GLY HA2 H 1 3.764 . . . . . . A 59 GLY HA2 . 36005 1 510 . 1 1 59 59 GLY HA3 H 1 3.764 . . . . . . A 59 GLY HA3 . 36005 1 511 . 1 1 59 59 GLY CA C 13 46.023 . . . . . . A 59 GLY CA . 36005 1 512 . 1 1 59 59 GLY N N 15 109.129 . . . . . . A 59 GLY N . 36005 1 513 . 1 1 61 61 GLY H H 1 10.484 . . . . . . A 61 GLY H . 36005 1 514 . 1 1 61 61 GLY HA2 H 1 4.212 . . . . . . A 61 GLY HA2 . 36005 1 515 . 1 1 61 61 GLY HA3 H 1 3.417 . . . . . . A 61 GLY HA3 . 36005 1 516 . 1 1 61 61 GLY CA C 13 44.198 . . . . . . A 61 GLY CA . 36005 1 517 . 1 1 61 61 GLY N N 15 113.999 . . . . . . A 61 GLY N . 36005 1 518 . 1 1 62 62 THR H H 1 7.564 . . . . . . A 62 THR H . 36005 1 519 . 1 1 62 62 THR HA H 1 4.735 . . . . . . A 62 THR HA . 36005 1 520 . 1 1 62 62 THR HB H 1 3.936 . . . . . . A 62 THR HB . 36005 1 521 . 1 1 62 62 THR HG21 H 1 1.065 . . . . . . A 62 THR HG21 . 36005 1 522 . 1 1 62 62 THR HG22 H 1 1.065 . . . . . . A 62 THR HG22 . 36005 1 523 . 1 1 62 62 THR HG23 H 1 1.065 . . . . . . A 62 THR HG23 . 36005 1 524 . 1 1 62 62 THR CA C 13 58.099 . . . . . . A 62 THR CA . 36005 1 525 . 1 1 62 62 THR CB C 13 71.089 . . . . . . A 62 THR CB . 36005 1 526 . 1 1 62 62 THR CG2 C 13 21.191 . . . . . . A 62 THR CG2 . 36005 1 527 . 1 1 62 62 THR N N 15 109.102 . . . . . . A 62 THR N . 36005 1 528 . 1 1 63 63 ILE H H 1 8.685 . . . . . . A 63 ILE H . 36005 1 529 . 1 1 63 63 ILE HA H 1 5.114 . . . . . . A 63 ILE HA . 36005 1 530 . 1 1 63 63 ILE HB H 1 2.011 . . . . . . A 63 ILE HB . 36005 1 531 . 1 1 63 63 ILE HG12 H 1 1.132 . . . . . . A 63 ILE HG12 . 36005 1 532 . 1 1 63 63 ILE HG13 H 1 1.149 . . . . . . A 63 ILE HG13 . 36005 1 533 . 1 1 63 63 ILE HG21 H 1 1.170 . . . . . . A 63 ILE HG21 . 36005 1 534 . 1 1 63 63 ILE HG22 H 1 1.170 . . . . . . A 63 ILE HG22 . 36005 1 535 . 1 1 63 63 ILE HG23 H 1 1.170 . . . . . . A 63 ILE HG23 . 36005 1 536 . 1 1 63 63 ILE HD11 H 1 0.748 . . . . . . A 63 ILE HD11 . 36005 1 537 . 1 1 63 63 ILE HD12 H 1 0.748 . . . . . . A 63 ILE HD12 . 36005 1 538 . 1 1 63 63 ILE HD13 H 1 0.748 . . . . . . A 63 ILE HD13 . 36005 1 539 . 1 1 63 63 ILE CA C 13 57.819 . . . . . . A 63 ILE CA . 36005 1 540 . 1 1 63 63 ILE CB C 13 37.939 . . . . . . A 63 ILE CB . 36005 1 541 . 1 1 63 63 ILE CG1 C 13 25.851 . . . . . . A 63 ILE CG1 . 36005 1 542 . 1 1 63 63 ILE CG2 C 13 16.902 . . . . . . A 63 ILE CG2 . 36005 1 543 . 1 1 63 63 ILE CD1 C 13 11.302 . . . . . . A 63 ILE CD1 . 36005 1 544 . 1 1 63 63 ILE N N 15 124.383 . . . . . . A 63 ILE N . 36005 1 545 . 1 1 64 64 ASP H H 1 8.869 . . . . . . A 64 ASP H . 36005 1 546 . 1 1 64 64 ASP HA H 1 5.447 . . . . . . A 64 ASP HA . 36005 1 547 . 1 1 64 64 ASP HB2 H 1 3.071 . . . . . . A 64 ASP HB2 . 36005 1 548 . 1 1 64 64 ASP HB3 H 1 2.720 . . . . . . A 64 ASP HB3 . 36005 1 549 . 1 1 64 64 ASP CA C 13 50.705 . . . . . . A 64 ASP CA . 36005 1 550 . 1 1 64 64 ASP CB C 13 41.035 . . . . . . A 64 ASP CB . 36005 1 551 . 1 1 64 64 ASP N N 15 129.029 . . . . . . A 64 ASP N . 36005 1 552 . 1 1 65 65 PHE H H 1 8.894 . . . . . . A 65 PHE H . 36005 1 553 . 1 1 65 65 PHE HA H 1 3.940 . . . . . . A 65 PHE HA . 36005 1 554 . 1 1 65 65 PHE HB2 H 1 3.696 . . . . . . A 65 PHE HB2 . 36005 1 555 . 1 1 65 65 PHE HB3 H 1 3.696 . . . . . . A 65 PHE HB3 . 36005 1 556 . 1 1 65 65 PHE HD1 H 1 6.701 . . . . . . A 65 PHE HD1 . 36005 1 557 . 1 1 65 65 PHE HE1 H 1 7.127 . . . . . . A 65 PHE HE1 . 36005 1 558 . 1 1 65 65 PHE HE2 H 1 6.669 . . . . . . A 65 PHE HE2 . 36005 1 559 . 1 1 65 65 PHE HZ H 1 7.342 . . . . . . A 65 PHE HZ . 36005 1 560 . 1 1 65 65 PHE CA C 13 61.754 . . . . . . A 65 PHE CA . 36005 1 561 . 1 1 65 65 PHE CB C 13 34.749 . . . . . . A 65 PHE CB . 36005 1 562 . 1 1 65 65 PHE N N 15 119.411 . . . . . . A 65 PHE N . 36005 1 563 . 1 1 66 66 PRO HA H 1 3.811 . . . . . . A 66 PRO HA . 36005 1 564 . 1 1 67 67 GLU H H 1 8.307 . . . . . . A 67 GLU H . 36005 1 565 . 1 1 67 67 GLU HA H 1 3.952 . . . . . . A 67 GLU HA . 36005 1 566 . 1 1 67 67 GLU CA C 13 58.039 . . . . . . A 67 GLU CA . 36005 1 567 . 1 1 67 67 GLU CB C 13 28.419 . . . . . . A 67 GLU CB . 36005 1 568 . 1 1 67 67 GLU N N 15 118.845 . . . . . . A 67 GLU N . 36005 1 569 . 1 1 68 68 PHE H H 1 8.591 . . . . . . A 68 PHE H . 36005 1 570 . 1 1 68 68 PHE HA H 1 3.902 . . . . . . A 68 PHE HA . 36005 1 571 . 1 1 68 68 PHE HB2 H 1 3.079 . . . . . . A 68 PHE HB2 . 36005 1 572 . 1 1 68 68 PHE HB3 H 1 3.079 . . . . . . A 68 PHE HB3 . 36005 1 573 . 1 1 68 68 PHE HD1 H 1 6.967 . . . . . . A 68 PHE HD1 . 36005 1 574 . 1 1 68 68 PHE HE1 H 1 7.138 . . . . . . A 68 PHE HE1 . 36005 1 575 . 1 1 68 68 PHE CA C 13 60.348 . . . . . . A 68 PHE CA . 36005 1 576 . 1 1 68 68 PHE CB C 13 39.174 . . . . . . A 68 PHE CB . 36005 1 577 . 1 1 68 68 PHE N N 15 124.517 . . . . . . A 68 PHE N . 36005 1 578 . 1 1 69 69 LEU H H 1 8.773 . . . . . . A 69 LEU H . 36005 1 579 . 1 1 69 69 LEU HA H 1 3.322 . . . . . . A 69 LEU HA . 36005 1 580 . 1 1 69 69 LEU HB2 H 1 1.160 . . . . . . A 69 LEU HB2 . 36005 1 581 . 1 1 69 69 LEU HB3 H 1 1.210 . . . . . . A 69 LEU HB3 . 36005 1 582 . 1 1 69 69 LEU HG H 1 0.891 . . . . . . A 69 LEU HG . 36005 1 583 . 1 1 69 69 LEU HD11 H 1 0.504 . . . . . . A 69 LEU HD11 . 36005 1 584 . 1 1 69 69 LEU HD12 H 1 0.504 . . . . . . A 69 LEU HD12 . 36005 1 585 . 1 1 69 69 LEU HD13 H 1 0.504 . . . . . . A 69 LEU HD13 . 36005 1 586 . 1 1 69 69 LEU HD21 H 1 0.600 . . . . . . A 69 LEU HD21 . 36005 1 587 . 1 1 69 69 LEU HD22 H 1 0.600 . . . . . . A 69 LEU HD22 . 36005 1 588 . 1 1 69 69 LEU HD23 H 1 0.600 . . . . . . A 69 LEU HD23 . 36005 1 589 . 1 1 69 69 LEU CA C 13 56.560 . . . . . . A 69 LEU CA . 36005 1 590 . 1 1 69 69 LEU CB C 13 40.105 . . . . . . A 69 LEU CB . 36005 1 591 . 1 1 69 69 LEU CD1 C 13 23.975 . . . . . . A 69 LEU CD1 . 36005 1 592 . 1 1 69 69 LEU CD2 C 13 23.003 . . . . . . A 69 LEU CD2 . 36005 1 593 . 1 1 69 69 LEU N N 15 120.473 . . . . . . A 69 LEU N . 36005 1 594 . 1 1 70 70 THR H H 1 7.926 . . . . . . A 70 THR H . 36005 1 595 . 1 1 70 70 THR HA H 1 3.691 . . . . . . A 70 THR HA . 36005 1 596 . 1 1 70 70 THR HB H 1 4.106 . . . . . . A 70 THR HB . 36005 1 597 . 1 1 70 70 THR HG21 H 1 1.141 . . . . . . A 70 THR HG21 . 36005 1 598 . 1 1 70 70 THR HG22 H 1 1.141 . . . . . . A 70 THR HG22 . 36005 1 599 . 1 1 70 70 THR HG23 H 1 1.141 . . . . . . A 70 THR HG23 . 36005 1 600 . 1 1 70 70 THR CA C 13 65.391 . . . . . . A 70 THR CA . 36005 1 601 . 1 1 70 70 THR CB C 13 67.424 . . . . . . A 70 THR CB . 36005 1 602 . 1 1 70 70 THR CG2 C 13 20.448 . . . . . . A 70 THR CG2 . 36005 1 603 . 1 1 70 70 THR N N 15 116.427 . . . . . . A 70 THR N . 36005 1 604 . 1 1 71 71 MET H H 1 7.466 . . . . . . A 71 MET H . 36005 1 605 . 1 1 71 71 MET HA H 1 3.939 . . . . . . A 71 MET HA . 36005 1 606 . 1 1 71 71 MET HB2 H 1 2.064 . . . . . . A 71 MET HB2 . 36005 1 607 . 1 1 71 71 MET HB3 H 1 2.064 . . . . . . A 71 MET HB3 . 36005 1 608 . 1 1 71 71 MET CA C 13 54.255 . . . . . . A 71 MET CA . 36005 1 609 . 1 1 71 71 MET CB C 13 30.323 . . . . . . A 71 MET CB . 36005 1 610 . 1 1 71 71 MET N N 15 121.718 . . . . . . A 71 MET N . 36005 1 611 . 1 1 72 72 MET H H 1 7.999 . . . . . . A 72 MET H . 36005 1 612 . 1 1 72 72 MET HA H 1 3.932 . . . . . . A 72 MET HA . 36005 1 613 . 1 1 72 72 MET CA C 13 55.020 . . . . . . A 72 MET CA . 36005 1 614 . 1 1 72 72 MET CB C 13 29.514 . . . . . . A 72 MET CB . 36005 1 615 . 1 1 72 72 MET N N 15 118.854 . . . . . . A 72 MET N . 36005 1 616 . 1 1 73 73 ALA H H 1 8.207 . . . . . . A 73 ALA H . 36005 1 617 . 1 1 73 73 ALA HA H 1 3.956 . . . . . . A 73 ALA HA . 36005 1 618 . 1 1 73 73 ALA HB1 H 1 1.324 . . . . . . A 73 ALA HB1 . 36005 1 619 . 1 1 73 73 ALA HB2 H 1 1.324 . . . . . . A 73 ALA HB2 . 36005 1 620 . 1 1 73 73 ALA HB3 H 1 1.324 . . . . . . A 73 ALA HB3 . 36005 1 621 . 1 1 73 73 ALA CA C 13 53.740 . . . . . . A 73 ALA CA . 36005 1 622 . 1 1 73 73 ALA CB C 13 16.892 . . . . . . A 73 ALA CB . 36005 1 623 . 1 1 73 73 ALA N N 15 121.369 . . . . . . A 73 ALA N . 36005 1 624 . 1 1 74 74 ARG H H 1 7.851 . . . . . . A 74 ARG H . 36005 1 625 . 1 1 74 74 ARG CA C 13 58.322 . . . . . . A 74 ARG CA . 36005 1 626 . 1 1 74 74 ARG CB C 13 27.681 . . . . . . A 74 ARG CB . 36005 1 627 . 1 1 74 74 ARG N N 15 121.324 . . . . . . A 74 ARG N . 36005 1 628 . 1 1 76 76 MET H H 1 8.021 . . . . . . A 76 MET H . 36005 1 629 . 1 1 76 76 MET HA H 1 4.151 . . . . . . A 76 MET HA . 36005 1 630 . 1 1 76 76 MET HB2 H 1 2.051 . . . . . . A 76 MET HB2 . 36005 1 631 . 1 1 76 76 MET HB3 H 1 2.051 . . . . . . A 76 MET HB3 . 36005 1 632 . 1 1 76 76 MET CA C 13 56.326 . . . . . . A 76 MET CA . 36005 1 633 . 1 1 76 76 MET CB C 13 31.648 . . . . . . A 76 MET CB . 36005 1 634 . 1 1 76 76 MET N N 15 116.439 . . . . . . A 76 MET N . 36005 1 635 . 1 1 77 77 LYS H H 1 7.305 . . . . . . A 77 LYS H . 36005 1 636 . 1 1 77 77 LYS HA H 1 4.296 . . . . . . A 77 LYS HA . 36005 1 637 . 1 1 77 77 LYS HB2 H 1 1.878 . . . . . . A 77 LYS HB2 . 36005 1 638 . 1 1 77 77 LYS HB3 H 1 1.747 . . . . . . A 77 LYS HB3 . 36005 1 639 . 1 1 77 77 LYS HG2 H 1 1.451 . . . . . . A 77 LYS HG2 . 36005 1 640 . 1 1 77 77 LYS HG3 H 1 1.451 . . . . . . A 77 LYS HG3 . 36005 1 641 . 1 1 77 77 LYS CA C 13 55.117 . . . . . . A 77 LYS CA . 36005 1 642 . 1 1 77 77 LYS CB C 13 31.978 . . . . . . A 77 LYS CB . 36005 1 643 . 1 1 77 77 LYS CG C 13 23.440 . . . . . . A 77 LYS CG . 36005 1 644 . 1 1 77 77 LYS CD C 13 28.041 . . . . . . A 77 LYS CD . 36005 1 645 . 1 1 77 77 LYS N N 15 117.514 . . . . . . A 77 LYS N . 36005 1 646 . 1 1 78 78 ASP H H 1 7.669 . . . . . . A 78 ASP H . 36005 1 647 . 1 1 78 78 ASP HA H 1 4.623 . . . . . . A 78 ASP HA . 36005 1 648 . 1 1 78 78 ASP HB2 H 1 2.768 . . . . . . A 78 ASP HB2 . 36005 1 649 . 1 1 78 78 ASP HB3 H 1 2.768 . . . . . . A 78 ASP HB3 . 36005 1 650 . 1 1 78 78 ASP CA C 13 53.281 . . . . . . A 78 ASP CA . 36005 1 651 . 1 1 78 78 ASP CB C 13 40.092 . . . . . . A 78 ASP CB . 36005 1 652 . 1 1 78 78 ASP N N 15 121.067 . . . . . . A 78 ASP N . 36005 1 653 . 1 1 79 79 THR H H 1 8.071 . . . . . . A 79 THR H . 36005 1 654 . 1 1 79 79 THR HA H 1 4.226 . . . . . . A 79 THR HA . 36005 1 655 . 1 1 79 79 THR HB H 1 4.282 . . . . . . A 79 THR HB . 36005 1 656 . 1 1 79 79 THR HG21 H 1 1.180 . . . . . . A 79 THR HG21 . 36005 1 657 . 1 1 79 79 THR HG22 H 1 1.180 . . . . . . A 79 THR HG22 . 36005 1 658 . 1 1 79 79 THR HG23 H 1 1.180 . . . . . . A 79 THR HG23 . 36005 1 659 . 1 1 79 79 THR CA C 13 61.323 . . . . . . A 79 THR CA . 36005 1 660 . 1 1 79 79 THR CB C 13 67.961 . . . . . . A 79 THR CB . 36005 1 661 . 1 1 79 79 THR CG2 C 13 20.333 . . . . . . A 79 THR CG2 . 36005 1 662 . 1 1 79 79 THR N N 15 115.653 . . . . . . A 79 THR N . 36005 1 663 . 1 1 80 80 ASP H H 1 8.402 . . . . . . A 80 ASP H . 36005 1 664 . 1 1 80 80 ASP HA H 1 4.721 . . . . . . A 80 ASP HA . 36005 1 665 . 1 1 80 80 ASP HB2 H 1 2.700 . . . . . . A 80 ASP HB2 . 36005 1 666 . 1 1 80 80 ASP HB3 H 1 2.610 . . . . . . A 80 ASP HB3 . 36005 1 667 . 1 1 80 80 ASP CA C 13 53.394 . . . . . . A 80 ASP CA . 36005 1 668 . 1 1 80 80 ASP CB C 13 39.831 . . . . . . A 80 ASP CB . 36005 1 669 . 1 1 80 80 ASP N N 15 123.261 . . . . . . A 80 ASP N . 36005 1 670 . 1 1 81 81 SER H H 1 8.019 . . . . . . A 81 SER H . 36005 1 671 . 1 1 81 81 SER HA H 1 4.620 . . . . . . A 81 SER HA . 36005 1 672 . 1 1 81 81 SER HB2 H 1 3.917 . . . . . . A 81 SER HB2 . 36005 1 673 . 1 1 81 81 SER HB3 H 1 3.917 . . . . . . A 81 SER HB3 . 36005 1 674 . 1 1 81 81 SER CA C 13 56.761 . . . . . . A 81 SER CA . 36005 1 675 . 1 1 81 81 SER CB C 13 62.573 . . . . . . A 81 SER CB . 36005 1 676 . 1 1 81 81 SER N N 15 116.294 . . . . . . A 81 SER N . 36005 1 677 . 1 1 82 82 GLU H H 1 8.369 . . . . . . A 82 GLU H . 36005 1 678 . 1 1 82 82 GLU HA H 1 4.003 . . . . . . A 82 GLU HA . 36005 1 679 . 1 1 82 82 GLU HB2 H 1 2.052 . . . . . . A 82 GLU HB2 . 36005 1 680 . 1 1 82 82 GLU HB3 H 1 2.052 . . . . . . A 82 GLU HB3 . 36005 1 681 . 1 1 82 82 GLU HG2 H 1 2.242 . . . . . . A 82 GLU HG2 . 36005 1 682 . 1 1 82 82 GLU HG3 H 1 2.242 . . . . . . A 82 GLU HG3 . 36005 1 683 . 1 1 82 82 GLU CA C 13 58.084 . . . . . . A 82 GLU CA . 36005 1 684 . 1 1 82 82 GLU CB C 13 28.326 . . . . . . A 82 GLU CB . 36005 1 685 . 1 1 82 82 GLU N N 15 123.989 . . . . . . A 82 GLU N . 36005 1 686 . 1 1 85 85 ILE H H 1 7.935 . . . . . . A 85 ILE H . 36005 1 687 . 1 1 85 85 ILE HA H 1 3.793 . . . . . . A 85 ILE HA . 36005 1 688 . 1 1 85 85 ILE HB H 1 2.152 . . . . . . A 85 ILE HB . 36005 1 689 . 1 1 85 85 ILE HG12 H 1 1.785 . . . . . . A 85 ILE HG12 . 36005 1 690 . 1 1 85 85 ILE HG21 H 1 1.104 . . . . . . A 85 ILE HG21 . 36005 1 691 . 1 1 85 85 ILE HG22 H 1 1.104 . . . . . . A 85 ILE HG22 . 36005 1 692 . 1 1 85 85 ILE HG23 H 1 1.104 . . . . . . A 85 ILE HG23 . 36005 1 693 . 1 1 85 85 ILE HD11 H 1 0.771 . . . . . . A 85 ILE HD11 . 36005 1 694 . 1 1 85 85 ILE HD12 H 1 0.771 . . . . . . A 85 ILE HD12 . 36005 1 695 . 1 1 85 85 ILE HD13 H 1 0.771 . . . . . . A 85 ILE HD13 . 36005 1 696 . 1 1 85 85 ILE CA C 13 64.138 . . . . . . A 85 ILE CA . 36005 1 697 . 1 1 85 85 ILE CB C 13 36.047 . . . . . . A 85 ILE CB . 36005 1 698 . 1 1 85 85 ILE CG1 C 13 28.163 . . . . . . A 85 ILE CG1 . 36005 1 699 . 1 1 85 85 ILE CG2 C 13 17.766 . . . . . . A 85 ILE CG2 . 36005 1 700 . 1 1 85 85 ILE CD1 C 13 11.948 . . . . . . A 85 ILE CD1 . 36005 1 701 . 1 1 85 85 ILE N N 15 120.942 . . . . . . A 85 ILE N . 36005 1 702 . 1 1 86 86 ARG H H 1 8.450 . . . . . . A 86 ARG H . 36005 1 703 . 1 1 86 86 ARG HA H 1 4.064 . . . . . . A 86 ARG HA . 36005 1 704 . 1 1 86 86 ARG HB2 H 1 1.991 . . . . . . A 86 ARG HB2 . 36005 1 705 . 1 1 86 86 ARG HB3 H 1 1.991 . . . . . . A 86 ARG HB3 . 36005 1 706 . 1 1 86 86 ARG CA C 13 58.835 . . . . . . A 86 ARG CA . 36005 1 707 . 1 1 86 86 ARG CB C 13 28.412 . . . . . . A 86 ARG CB . 36005 1 708 . 1 1 86 86 ARG N N 15 121.754 . . . . . . A 86 ARG N . 36005 1 709 . 1 1 87 87 GLU H H 1 7.891 . . . . . . A 87 GLU H . 36005 1 710 . 1 1 87 87 GLU HA H 1 4.014 . . . . . . A 87 GLU HA . 36005 1 711 . 1 1 87 87 GLU HB2 H 1 2.030 . . . . . . A 87 GLU HB2 . 36005 1 712 . 1 1 87 87 GLU HB3 H 1 2.030 . . . . . . A 87 GLU HB3 . 36005 1 713 . 1 1 87 87 GLU HG2 H 1 2.261 . . . . . . A 87 GLU HG2 . 36005 1 714 . 1 1 87 87 GLU HG3 H 1 2.261 . . . . . . A 87 GLU HG3 . 36005 1 715 . 1 1 87 87 GLU CA C 13 57.724 . . . . . . A 87 GLU CA . 36005 1 716 . 1 1 87 87 GLU CB C 13 27.979 . . . . . . A 87 GLU CB . 36005 1 717 . 1 1 87 87 GLU N N 15 119.464 . . . . . . A 87 GLU N . 36005 1 718 . 1 1 88 88 ALA H H 1 8.068 . . . . . . A 88 ALA H . 36005 1 719 . 1 1 88 88 ALA HA H 1 4.027 . . . . . . A 88 ALA HA . 36005 1 720 . 1 1 88 88 ALA HB1 H 1 1.723 . . . . . . A 88 ALA HB1 . 36005 1 721 . 1 1 88 88 ALA HB2 H 1 1.723 . . . . . . A 88 ALA HB2 . 36005 1 722 . 1 1 88 88 ALA HB3 H 1 1.723 . . . . . . A 88 ALA HB3 . 36005 1 723 . 1 1 88 88 ALA CA C 13 55.363 . . . . . . A 88 ALA CA . 36005 1 724 . 1 1 88 88 ALA CB C 13 16.766 . . . . . . A 88 ALA CB . 36005 1 725 . 1 1 88 88 ALA N N 15 121.907 . . . . . . A 88 ALA N . 36005 1 726 . 1 1 89 89 PHE H H 1 8.436 . . . . . . A 89 PHE H . 36005 1 727 . 1 1 89 89 PHE HA H 1 3.154 . . . . . . A 89 PHE HA . 36005 1 728 . 1 1 89 89 PHE HB2 H 1 2.821 . . . . . . A 89 PHE HB2 . 36005 1 729 . 1 1 89 89 PHE HB3 H 1 2.821 . . . . . . A 89 PHE HB3 . 36005 1 730 . 1 1 89 89 PHE HD1 H 1 6.492 . . . . . . A 89 PHE HD1 . 36005 1 731 . 1 1 89 89 PHE HD2 H 1 6.492 . . . . . . A 89 PHE HD2 . 36005 1 732 . 1 1 89 89 PHE HE1 H 1 6.940 . . . . . . A 89 PHE HE1 . 36005 1 733 . 1 1 89 89 PHE HE2 H 1 6.965 . . . . . . A 89 PHE HE2 . 36005 1 734 . 1 1 89 89 PHE HZ H 1 6.924 . . . . . . A 89 PHE HZ . 36005 1 735 . 1 1 89 89 PHE CA C 13 61.052 . . . . . . A 89 PHE CA . 36005 1 736 . 1 1 89 89 PHE CB C 13 37.982 . . . . . . A 89 PHE CB . 36005 1 737 . 1 1 89 89 PHE N N 15 118.964 . . . . . . A 89 PHE N . 36005 1 738 . 1 1 90 90 ARG H H 1 7.820 . . . . . . A 90 ARG H . 36005 1 739 . 1 1 90 90 ARG HA H 1 3.780 . . . . . . A 90 ARG HA . 36005 1 740 . 1 1 90 90 ARG HB2 H 1 1.899 . . . . . . A 90 ARG HB2 . 36005 1 741 . 1 1 90 90 ARG HB3 H 1 1.899 . . . . . . A 90 ARG HB3 . 36005 1 742 . 1 1 90 90 ARG HD2 H 1 3.161 . . . . . . A 90 ARG HD2 . 36005 1 743 . 1 1 90 90 ARG HD3 H 1 3.161 . . . . . . A 90 ARG HD3 . 36005 1 744 . 1 1 90 90 ARG CA C 13 57.765 . . . . . . A 90 ARG CA . 36005 1 745 . 1 1 90 90 ARG CB C 13 29.084 . . . . . . A 90 ARG CB . 36005 1 746 . 1 1 90 90 ARG CG C 13 26.683 . . . . . . A 90 ARG CG . 36005 1 747 . 1 1 90 90 ARG CD C 13 42.356 . . . . . . A 90 ARG CD . 36005 1 748 . 1 1 90 90 ARG N N 15 116.984 . . . . . . A 90 ARG N . 36005 1 749 . 1 1 91 91 VAL H H 1 7.381 . . . . . . A 91 VAL H . 36005 1 750 . 1 1 91 91 VAL HA H 1 3.425 . . . . . . A 91 VAL HA . 36005 1 751 . 1 1 91 91 VAL HB H 1 2.147 . . . . . . A 91 VAL HB . 36005 1 752 . 1 1 91 91 VAL HG11 H 1 0.940 . . . . . . A 91 VAL HG11 . 36005 1 753 . 1 1 91 91 VAL HG12 H 1 0.940 . . . . . . A 91 VAL HG12 . 36005 1 754 . 1 1 91 91 VAL HG13 H 1 0.940 . . . . . . A 91 VAL HG13 . 36005 1 755 . 1 1 91 91 VAL HG21 H 1 0.551 . . . . . . A 91 VAL HG21 . 36005 1 756 . 1 1 91 91 VAL HG22 H 1 0.551 . . . . . . A 91 VAL HG22 . 36005 1 757 . 1 1 91 91 VAL HG23 H 1 0.551 . . . . . . A 91 VAL HG23 . 36005 1 758 . 1 1 91 91 VAL CA C 13 64.445 . . . . . . A 91 VAL CA . 36005 1 759 . 1 1 91 91 VAL CB C 13 29.837 . . . . . . A 91 VAL CB . 36005 1 760 . 1 1 91 91 VAL CG1 C 13 21.555 . . . . . . A 91 VAL CG1 . 36005 1 761 . 1 1 91 91 VAL CG2 C 13 20.277 . . . . . . A 91 VAL CG2 . 36005 1 762 . 1 1 91 91 VAL N N 15 118.507 . . . . . . A 91 VAL N . 36005 1 763 . 1 1 92 92 PHE H H 1 6.949 . . . . . . A 92 PHE H . 36005 1 764 . 1 1 92 92 PHE HA H 1 4.111 . . . . . . A 92 PHE HA . 36005 1 765 . 1 1 92 92 PHE HB2 H 1 2.605 . . . . . . A 92 PHE HB2 . 36005 1 766 . 1 1 92 92 PHE HB3 H 1 2.605 . . . . . . A 92 PHE HB3 . 36005 1 767 . 1 1 92 92 PHE HD1 H 1 7.174 . . . . . . A 92 PHE HD1 . 36005 1 768 . 1 1 92 92 PHE CA C 13 58.343 . . . . . . A 92 PHE CA . 36005 1 769 . 1 1 92 92 PHE CB C 13 39.886 . . . . . . A 92 PHE CB . 36005 1 770 . 1 1 92 92 PHE N N 15 115.584 . . . . . . A 92 PHE N . 36005 1 771 . 1 1 93 93 ASP H H 1 7.765 . . . . . . A 93 ASP H . 36005 1 772 . 1 1 93 93 ASP HA H 1 4.545 . . . . . . A 93 ASP HA . 36005 1 773 . 1 1 93 93 ASP HB2 H 1 2.201 . . . . . . A 93 ASP HB2 . 36005 1 774 . 1 1 93 93 ASP HB3 H 1 1.309 . . . . . . A 93 ASP HB3 . 36005 1 775 . 1 1 93 93 ASP CA C 13 51.051 . . . . . . A 93 ASP CA . 36005 1 776 . 1 1 93 93 ASP CB C 13 37.513 . . . . . . A 93 ASP CB . 36005 1 777 . 1 1 93 93 ASP N N 15 117.597 . . . . . . A 93 ASP N . 36005 1 778 . 1 1 94 94 LYS H H 1 7.647 . . . . . . A 94 LYS H . 36005 1 779 . 1 1 94 94 LYS HA H 1 3.855 . . . . . . A 94 LYS HA . 36005 1 780 . 1 1 94 94 LYS HB2 H 1 1.763 . . . . . . A 94 LYS HB2 . 36005 1 781 . 1 1 94 94 LYS HB3 H 1 1.763 . . . . . . A 94 LYS HB3 . 36005 1 782 . 1 1 94 94 LYS HG2 H 1 1.408 . . . . . . A 94 LYS HG2 . 36005 1 783 . 1 1 94 94 LYS HG3 H 1 1.408 . . . . . . A 94 LYS HG3 . 36005 1 784 . 1 1 94 94 LYS HD2 H 1 1.525 . . . . . . A 94 LYS HD2 . 36005 1 785 . 1 1 94 94 LYS HD3 H 1 1.525 . . . . . . A 94 LYS HD3 . 36005 1 786 . 1 1 94 94 LYS HE2 H 1 2.721 . . . . . . A 94 LYS HE2 . 36005 1 787 . 1 1 94 94 LYS HE3 H 1 2.721 . . . . . . A 94 LYS HE3 . 36005 1 788 . 1 1 94 94 LYS CA C 13 57.550 . . . . . . A 94 LYS CA . 36005 1 789 . 1 1 94 94 LYS CB C 13 31.144 . . . . . . A 94 LYS CB . 36005 1 790 . 1 1 94 94 LYS CG C 13 22.643 . . . . . . A 94 LYS CG . 36005 1 791 . 1 1 94 94 LYS CD C 13 26.874 . . . . . . A 94 LYS CD . 36005 1 792 . 1 1 94 94 LYS CE C 13 40.436 . . . . . . A 94 LYS CE . 36005 1 793 . 1 1 94 94 LYS N N 15 126.301 . . . . . . A 94 LYS N . 36005 1 794 . 1 1 95 95 ASP H H 1 8.131 . . . . . . A 95 ASP H . 36005 1 795 . 1 1 95 95 ASP HA H 1 4.498 . . . . . . A 95 ASP HA . 36005 1 796 . 1 1 95 95 ASP HB2 H 1 3.004 . . . . . . A 95 ASP HB2 . 36005 1 797 . 1 1 95 95 ASP HB3 H 1 2.606 . . . . . . A 95 ASP HB3 . 36005 1 798 . 1 1 95 95 ASP CA C 13 51.757 . . . . . . A 95 ASP CA . 36005 1 799 . 1 1 95 95 ASP CB C 13 38.367 . . . . . . A 95 ASP CB . 36005 1 800 . 1 1 95 95 ASP N N 15 114.851 . . . . . . A 95 ASP N . 36005 1 801 . 1 1 96 96 GLY H H 1 7.709 . . . . . . A 96 GLY H . 36005 1 802 . 1 1 96 96 GLY HA2 H 1 3.799 . . . . . . A 96 GLY HA2 . 36005 1 803 . 1 1 96 96 GLY HA3 H 1 3.799 . . . . . . A 96 GLY HA3 . 36005 1 804 . 1 1 96 96 GLY CA C 13 45.917 . . . . . . A 96 GLY CA . 36005 1 805 . 1 1 96 96 GLY N N 15 109.952 . . . . . . A 96 GLY N . 36005 1 806 . 1 1 97 97 ASN H H 1 8.298 . . . . . . A 97 ASN H . 36005 1 807 . 1 1 97 97 ASN HA H 1 4.586 . . . . . . A 97 ASN HA . 36005 1 808 . 1 1 97 97 ASN HB2 H 1 3.362 . . . . . . A 97 ASN HB2 . 36005 1 809 . 1 1 97 97 ASN HB3 H 1 2.599 . . . . . . A 97 ASN HB3 . 36005 1 810 . 1 1 97 97 ASN CA C 13 51.469 . . . . . . A 97 ASN CA . 36005 1 811 . 1 1 97 97 ASN CB C 13 36.931 . . . . . . A 97 ASN CB . 36005 1 812 . 1 1 97 97 ASN N N 15 120.276 . . . . . . A 97 ASN N . 36005 1 813 . 1 1 98 98 GLY H H 1 10.555 . . . . . . A 98 GLY H . 36005 1 814 . 1 1 98 98 GLY HA2 H 1 4.008 . . . . . . A 98 GLY HA2 . 36005 1 815 . 1 1 98 98 GLY HA3 H 1 3.401 . . . . . . A 98 GLY HA3 . 36005 1 816 . 1 1 98 98 GLY CA C 13 43.702 . . . . . . A 98 GLY CA . 36005 1 817 . 1 1 98 98 GLY N N 15 113.329 . . . . . . A 98 GLY N . 36005 1 818 . 1 1 99 99 TYR H H 1 7.590 . . . . . . A 99 TYR H . 36005 1 819 . 1 1 99 99 TYR HA H 1 4.966 . . . . . . A 99 TYR HA . 36005 1 820 . 1 1 99 99 TYR HB2 H 1 2.471 . . . . . . A 99 TYR HB2 . 36005 1 821 . 1 1 99 99 TYR HB3 H 1 2.471 . . . . . . A 99 TYR HB3 . 36005 1 822 . 1 1 99 99 TYR HD1 H 1 6.703 . . . . . . A 99 TYR HD1 . 36005 1 823 . 1 1 99 99 TYR CA C 13 54.926 . . . . . . A 99 TYR CA . 36005 1 824 . 1 1 99 99 TYR CB C 13 41.646 . . . . . . A 99 TYR CB . 36005 1 825 . 1 1 99 99 TYR N N 15 116.943 . . . . . . A 99 TYR N . 36005 1 826 . 1 1 100 100 ILE H H 1 10.058 . . . . . . A 100 ILE H . 36005 1 827 . 1 1 100 100 ILE HA H 1 4.598 . . . . . . A 100 ILE HA . 36005 1 828 . 1 1 100 100 ILE HB H 1 1.699 . . . . . . A 100 ILE HB . 36005 1 829 . 1 1 100 100 ILE HG21 H 1 0.817 . . . . . . A 100 ILE HG21 . 36005 1 830 . 1 1 100 100 ILE HG22 H 1 0.817 . . . . . . A 100 ILE HG22 . 36005 1 831 . 1 1 100 100 ILE HG23 H 1 0.817 . . . . . . A 100 ILE HG23 . 36005 1 832 . 1 1 100 100 ILE HD11 H 1 0.234 . . . . . . A 100 ILE HD11 . 36005 1 833 . 1 1 100 100 ILE HD12 H 1 0.234 . . . . . . A 100 ILE HD12 . 36005 1 834 . 1 1 100 100 ILE HD13 H 1 0.234 . . . . . . A 100 ILE HD13 . 36005 1 835 . 1 1 100 100 ILE CA C 13 59.934 . . . . . . A 100 ILE CA . 36005 1 836 . 1 1 100 100 ILE CB C 13 37.847 . . . . . . A 100 ILE CB . 36005 1 837 . 1 1 100 100 ILE CG1 C 13 25.589 . . . . . . A 100 ILE CG1 . 36005 1 838 . 1 1 100 100 ILE CG2 C 13 15.970 . . . . . . A 100 ILE CG2 . 36005 1 839 . 1 1 100 100 ILE CD1 C 13 14.367 . . . . . . A 100 ILE CD1 . 36005 1 840 . 1 1 100 100 ILE N N 15 128.016 . . . . . . A 100 ILE N . 36005 1 841 . 1 1 101 101 SER H H 1 8.883 . . . . . . A 101 SER H . 36005 1 842 . 1 1 101 101 SER HA H 1 4.804 . . . . . . A 101 SER HA . 36005 1 843 . 1 1 101 101 SER HB2 H 1 4.314 . . . . . . A 101 SER HB2 . 36005 1 844 . 1 1 101 101 SER HB3 H 1 3.884 . . . . . . A 101 SER HB3 . 36005 1 845 . 1 1 101 101 SER CA C 13 54.307 . . . . . . A 101 SER CA . 36005 1 846 . 1 1 101 101 SER CB C 13 65.736 . . . . . . A 101 SER CB . 36005 1 847 . 1 1 101 101 SER N N 15 124.475 . . . . . . A 101 SER N . 36005 1 848 . 1 1 102 102 ALA H H 1 9.209 . . . . . . A 102 ALA H . 36005 1 849 . 1 1 102 102 ALA HA H 1 3.846 . . . . . . A 102 ALA HA . 36005 1 850 . 1 1 102 102 ALA HB1 H 1 1.432 . . . . . . A 102 ALA HB1 . 36005 1 851 . 1 1 102 102 ALA HB2 H 1 1.432 . . . . . . A 102 ALA HB2 . 36005 1 852 . 1 1 102 102 ALA HB3 H 1 1.432 . . . . . . A 102 ALA HB3 . 36005 1 853 . 1 1 102 102 ALA CA C 13 54.576 . . . . . . A 102 ALA CA . 36005 1 854 . 1 1 102 102 ALA CB C 13 16.744 . . . . . . A 102 ALA CB . 36005 1 855 . 1 1 102 102 ALA N N 15 123.687 . . . . . . A 102 ALA N . 36005 1 856 . 1 1 103 103 ALA H H 1 8.170 . . . . . . A 103 ALA H . 36005 1 857 . 1 1 103 103 ALA HA H 1 3.993 . . . . . . A 103 ALA HA . 36005 1 858 . 1 1 103 103 ALA HB1 H 1 1.380 . . . . . . A 103 ALA HB1 . 36005 1 859 . 1 1 103 103 ALA HB2 H 1 1.380 . . . . . . A 103 ALA HB2 . 36005 1 860 . 1 1 103 103 ALA HB3 H 1 1.380 . . . . . . A 103 ALA HB3 . 36005 1 861 . 1 1 103 103 ALA CA C 13 54.091 . . . . . . A 103 ALA CA . 36005 1 862 . 1 1 103 103 ALA CB C 13 17.171 . . . . . . A 103 ALA CB . 36005 1 863 . 1 1 103 103 ALA N N 15 119.330 . . . . . . A 103 ALA N . 36005 1 864 . 1 1 104 104 GLU H H 1 7.606 . . . . . . A 104 GLU H . 36005 1 865 . 1 1 104 104 GLU HA H 1 3.941 . . . . . . A 104 GLU HA . 36005 1 866 . 1 1 104 104 GLU HB2 H 1 2.251 . . . . . . A 104 GLU HB2 . 36005 1 867 . 1 1 104 104 GLU HB3 H 1 1.799 . . . . . . A 104 GLU HB3 . 36005 1 868 . 1 1 104 104 GLU CA C 13 57.713 . . . . . . A 104 GLU CA . 36005 1 869 . 1 1 104 104 GLU CB C 13 28.580 . . . . . . A 104 GLU CB . 36005 1 870 . 1 1 104 104 GLU N N 15 119.173 . . . . . . A 104 GLU N . 36005 1 871 . 1 1 105 105 LEU H H 1 8.365 . . . . . . A 105 LEU H . 36005 1 872 . 1 1 105 105 LEU HA H 1 4.167 . . . . . . A 105 LEU HA . 36005 1 873 . 1 1 105 105 LEU HB2 H 1 1.958 . . . . . . A 105 LEU HB2 . 36005 1 874 . 1 1 105 105 LEU HB3 H 1 1.384 . . . . . . A 105 LEU HB3 . 36005 1 875 . 1 1 105 105 LEU HD11 H 1 0.937 . . . . . . A 105 LEU HD11 . 36005 1 876 . 1 1 105 105 LEU HD12 H 1 0.937 . . . . . . A 105 LEU HD12 . 36005 1 877 . 1 1 105 105 LEU HD13 H 1 0.937 . . . . . . A 105 LEU HD13 . 36005 1 878 . 1 1 105 105 LEU HD21 H 1 0.935 . . . . . . A 105 LEU HD21 . 36005 1 879 . 1 1 105 105 LEU HD22 H 1 0.935 . . . . . . A 105 LEU HD22 . 36005 1 880 . 1 1 105 105 LEU HD23 H 1 0.935 . . . . . . A 105 LEU HD23 . 36005 1 881 . 1 1 105 105 LEU CA C 13 57.570 . . . . . . A 105 LEU CA . 36005 1 882 . 1 1 105 105 LEU CB C 13 40.451 . . . . . . A 105 LEU CB . 36005 1 883 . 1 1 105 105 LEU CD1 C 13 25.070 . . . . . . A 105 LEU CD1 . 36005 1 884 . 1 1 105 105 LEU CD2 C 13 23.329 . . . . . . A 105 LEU CD2 . 36005 1 885 . 1 1 105 105 LEU N N 15 121.732 . . . . . . A 105 LEU N . 36005 1 886 . 1 1 106 106 ARG H H 1 8.765 . . . . . . A 106 ARG H . 36005 1 887 . 1 1 106 106 ARG HA H 1 3.725 . . . . . . A 106 ARG HA . 36005 1 888 . 1 1 106 106 ARG HB2 H 1 1.942 . . . . . . A 106 ARG HB2 . 36005 1 889 . 1 1 106 106 ARG HB3 H 1 1.942 . . . . . . A 106 ARG HB3 . 36005 1 890 . 1 1 106 106 ARG HG2 H 1 1.603 . . . . . . A 106 ARG HG2 . 36005 1 891 . 1 1 106 106 ARG HG3 H 1 1.603 . . . . . . A 106 ARG HG3 . 36005 1 892 . 1 1 106 106 ARG HD2 H 1 3.139 . . . . . . A 106 ARG HD2 . 36005 1 893 . 1 1 106 106 ARG HD3 H 1 3.139 . . . . . . A 106 ARG HD3 . 36005 1 894 . 1 1 106 106 ARG CA C 13 58.768 . . . . . . A 106 ARG CA . 36005 1 895 . 1 1 106 106 ARG CB C 13 29.133 . . . . . . A 106 ARG CB . 36005 1 896 . 1 1 106 106 ARG CG C 13 26.671 . . . . . . A 106 ARG CG . 36005 1 897 . 1 1 106 106 ARG CD C 13 42.453 . . . . . . A 106 ARG CD . 36005 1 898 . 1 1 106 106 ARG N N 15 119.023 . . . . . . A 106 ARG N . 36005 1 899 . 1 1 107 107 HIS H H 1 8.103 . . . . . . A 107 HIS H . 36005 1 900 . 1 1 107 107 HIS HA H 1 4.253 . . . . . . A 107 HIS HA . 36005 1 901 . 1 1 107 107 HIS HB2 H 1 3.345 . . . . . . A 107 HIS HB2 . 36005 1 902 . 1 1 107 107 HIS HB3 H 1 3.219 . . . . . . A 107 HIS HB3 . 36005 1 903 . 1 1 107 107 HIS CA C 13 58.865 . . . . . . A 107 HIS CA . 36005 1 904 . 1 1 107 107 HIS CB C 13 29.221 . . . . . . A 107 HIS CB . 36005 1 905 . 1 1 107 107 HIS N N 15 120.881 . . . . . . A 107 HIS N . 36005 1 906 . 1 1 108 108 VAL H H 1 7.842 . . . . . . A 108 VAL H . 36005 1 907 . 1 1 108 108 VAL HA H 1 3.467 . . . . . . A 108 VAL HA . 36005 1 908 . 1 1 108 108 VAL HB H 1 2.004 . . . . . . A 108 VAL HB . 36005 1 909 . 1 1 108 108 VAL HG11 H 1 0.898 . . . . . . A 108 VAL HG11 . 36005 1 910 . 1 1 108 108 VAL HG12 H 1 0.898 . . . . . . A 108 VAL HG12 . 36005 1 911 . 1 1 108 108 VAL HG13 H 1 0.898 . . . . . . A 108 VAL HG13 . 36005 1 912 . 1 1 108 108 VAL HG21 H 1 0.460 . . . . . . A 108 VAL HG21 . 36005 1 913 . 1 1 108 108 VAL HG22 H 1 0.460 . . . . . . A 108 VAL HG22 . 36005 1 914 . 1 1 108 108 VAL HG23 H 1 0.460 . . . . . . A 108 VAL HG23 . 36005 1 915 . 1 1 108 108 VAL CA C 13 65.633 . . . . . . A 108 VAL CA . 36005 1 916 . 1 1 108 108 VAL CB C 13 30.565 . . . . . . A 108 VAL CB . 36005 1 917 . 1 1 108 108 VAL CG1 C 13 22.110 . . . . . . A 108 VAL CG1 . 36005 1 918 . 1 1 108 108 VAL CG2 C 13 19.431 . . . . . . A 108 VAL CG2 . 36005 1 919 . 1 1 108 108 VAL N N 15 119.559 . . . . . . A 108 VAL N . 36005 1 920 . 1 1 109 109 MET H H 1 8.168 . . . . . . A 109 MET H . 36005 1 921 . 1 1 109 109 MET HA H 1 4.237 . . . . . . A 109 MET HA . 36005 1 922 . 1 1 109 109 MET HB2 H 1 1.950 . . . . . . A 109 MET HB2 . 36005 1 923 . 1 1 109 109 MET HB3 H 1 2.141 . . . . . . A 109 MET HB3 . 36005 1 924 . 1 1 109 109 MET HG2 H 1 2.557 . . . . . . A 109 MET HG2 . 36005 1 925 . 1 1 109 109 MET HG3 H 1 2.722 . . . . . . A 109 MET HG3 . 36005 1 926 . 1 1 109 109 MET CA C 13 56.195 . . . . . . A 109 MET CA . 36005 1 927 . 1 1 109 109 MET CB C 13 29.011 . . . . . . A 109 MET CB . 36005 1 928 . 1 1 109 109 MET N N 15 116.039 . . . . . . A 109 MET N . 36005 1 929 . 1 1 110 110 THR H H 1 8.490 . . . . . . A 110 THR H . 36005 1 930 . 1 1 110 110 THR HA H 1 3.961 . . . . . . A 110 THR HA . 36005 1 931 . 1 1 110 110 THR HB H 1 4.233 . . . . . . A 110 THR HB . 36005 1 932 . 1 1 110 110 THR HG21 H 1 1.162 . . . . . . A 110 THR HG21 . 36005 1 933 . 1 1 110 110 THR HG22 H 1 1.162 . . . . . . A 110 THR HG22 . 36005 1 934 . 1 1 110 110 THR HG23 H 1 1.162 . . . . . . A 110 THR HG23 . 36005 1 935 . 1 1 110 110 THR CA C 13 65.350 . . . . . . A 110 THR CA . 36005 1 936 . 1 1 110 110 THR CB C 13 67.303 . . . . . . A 110 THR CB . 36005 1 937 . 1 1 110 110 THR CG2 C 13 20.236 . . . . . . A 110 THR CG2 . 36005 1 938 . 1 1 110 110 THR N N 15 117.108 . . . . . . A 110 THR N . 36005 1 939 . 1 1 111 111 ASN H H 1 7.868 . . . . . . A 111 ASN H . 36005 1 940 . 1 1 111 111 ASN HA H 1 4.328 . . . . . . A 111 ASN HA . 36005 1 941 . 1 1 111 111 ASN HB2 H 1 2.797 . . . . . . A 111 ASN HB2 . 36005 1 942 . 1 1 111 111 ASN HB3 H 1 2.661 . . . . . . A 111 ASN HB3 . 36005 1 943 . 1 1 111 111 ASN CA C 13 54.755 . . . . . . A 111 ASN CA . 36005 1 944 . 1 1 111 111 ASN CB C 13 36.483 . . . . . . A 111 ASN CB . 36005 1 945 . 1 1 111 111 ASN N N 15 124.075 . . . . . . A 111 ASN N . 36005 1 946 . 1 1 112 112 LEU H H 1 7.710 . . . . . . A 112 LEU H . 36005 1 947 . 1 1 112 112 LEU HA H 1 4.169 . . . . . . A 112 LEU HA . 36005 1 948 . 1 1 112 112 LEU HB2 H 1 1.882 . . . . . . A 112 LEU HB2 . 36005 1 949 . 1 1 112 112 LEU HB3 H 1 1.564 . . . . . . A 112 LEU HB3 . 36005 1 950 . 1 1 112 112 LEU HG H 1 1.736 . . . . . . A 112 LEU HG . 36005 1 951 . 1 1 112 112 LEU HD11 H 1 0.738 . . . . . . A 112 LEU HD11 . 36005 1 952 . 1 1 112 112 LEU HD12 H 1 0.738 . . . . . . A 112 LEU HD12 . 36005 1 953 . 1 1 112 112 LEU HD13 H 1 0.738 . . . . . . A 112 LEU HD13 . 36005 1 954 . 1 1 112 112 LEU HD21 H 1 0.679 . . . . . . A 112 LEU HD21 . 36005 1 955 . 1 1 112 112 LEU HD22 H 1 0.679 . . . . . . A 112 LEU HD22 . 36005 1 956 . 1 1 112 112 LEU HD23 H 1 0.679 . . . . . . A 112 LEU HD23 . 36005 1 957 . 1 1 112 112 LEU CA C 13 54.275 . . . . . . A 112 LEU CA . 36005 1 958 . 1 1 112 112 LEU CB C 13 41.298 . . . . . . A 112 LEU CB . 36005 1 959 . 1 1 112 112 LEU CD1 C 13 24.850 . . . . . . A 112 LEU CD1 . 36005 1 960 . 1 1 112 112 LEU CD2 C 13 22.095 . . . . . . A 112 LEU CD2 . 36005 1 961 . 1 1 112 112 LEU N N 15 118.868 . . . . . . A 112 LEU N . 36005 1 962 . 1 1 113 113 GLY H H 1 7.672 . . . . . . A 113 GLY H . 36005 1 963 . 1 1 113 113 GLY HA2 H 1 4.191 . . . . . . A 113 GLY HA2 . 36005 1 964 . 1 1 113 113 GLY HA3 H 1 3.626 . . . . . . A 113 GLY HA3 . 36005 1 965 . 1 1 113 113 GLY CA C 13 43.948 . . . . . . A 113 GLY CA . 36005 1 966 . 1 1 113 113 GLY N N 15 106.547 . . . . . . A 113 GLY N . 36005 1 967 . 1 1 114 114 GLU H H 1 7.921 . . . . . . A 114 GLU H . 36005 1 968 . 1 1 114 114 GLU HA H 1 4.354 . . . . . . A 114 GLU HA . 36005 1 969 . 1 1 114 114 GLU HB2 H 1 1.587 . . . . . . A 114 GLU HB2 . 36005 1 970 . 1 1 114 114 GLU HB3 H 1 1.587 . . . . . . A 114 GLU HB3 . 36005 1 971 . 1 1 114 114 GLU HG2 H 1 1.950 . . . . . . A 114 GLU HG2 . 36005 1 972 . 1 1 114 114 GLU HG3 H 1 1.950 . . . . . . A 114 GLU HG3 . 36005 1 973 . 1 1 114 114 GLU CA C 13 53.374 . . . . . . A 114 GLU CA . 36005 1 974 . 1 1 114 114 GLU CB C 13 29.354 . . . . . . A 114 GLU CB . 36005 1 975 . 1 1 114 114 GLU CG C 13 33.939 . . . . . . A 114 GLU CG . 36005 1 976 . 1 1 114 114 GLU N N 15 121.825 . . . . . . A 114 GLU N . 36005 1 977 . 1 1 115 115 LYS H H 1 8.496 . . . . . . A 115 LYS H . 36005 1 978 . 1 1 115 115 LYS HA H 1 4.318 . . . . . . A 115 LYS HA . 36005 1 979 . 1 1 115 115 LYS HB2 H 1 1.653 . . . . . . A 115 LYS HB2 . 36005 1 980 . 1 1 115 115 LYS HB3 H 1 1.596 . . . . . . A 115 LYS HB3 . 36005 1 981 . 1 1 115 115 LYS HG2 H 1 1.291 . . . . . . A 115 LYS HG2 . 36005 1 982 . 1 1 115 115 LYS HG3 H 1 1.241 . . . . . . A 115 LYS HG3 . 36005 1 983 . 1 1 115 115 LYS CA C 13 54.323 . . . . . . A 115 LYS CA . 36005 1 984 . 1 1 115 115 LYS CB C 13 30.753 . . . . . . A 115 LYS CB . 36005 1 985 . 1 1 115 115 LYS CG C 13 23.254 . . . . . . A 115 LYS CG . 36005 1 986 . 1 1 115 115 LYS CD C 13 27.806 . . . . . . A 115 LYS CD . 36005 1 987 . 1 1 115 115 LYS N N 15 125.871 . . . . . . A 115 LYS N . 36005 1 988 . 1 1 116 116 LEU H H 1 7.998 . . . . . . A 116 LEU H . 36005 1 989 . 1 1 116 116 LEU HA H 1 4.711 . . . . . . A 116 LEU HA . 36005 1 990 . 1 1 116 116 LEU HB2 H 1 1.518 . . . . . . A 116 LEU HB2 . 36005 1 991 . 1 1 116 116 LEU HB3 H 1 1.421 . . . . . . A 116 LEU HB3 . 36005 1 992 . 1 1 116 116 LEU HG H 1 1.922 . . . . . . A 116 LEU HG . 36005 1 993 . 1 1 116 116 LEU HD11 H 1 0.728 . . . . . . A 116 LEU HD11 . 36005 1 994 . 1 1 116 116 LEU HD12 H 1 0.728 . . . . . . A 116 LEU HD12 . 36005 1 995 . 1 1 116 116 LEU HD13 H 1 0.728 . . . . . . A 116 LEU HD13 . 36005 1 996 . 1 1 116 116 LEU HD21 H 1 0.745 . . . . . . A 116 LEU HD21 . 36005 1 997 . 1 1 116 116 LEU HD22 H 1 0.745 . . . . . . A 116 LEU HD22 . 36005 1 998 . 1 1 116 116 LEU HD23 H 1 0.745 . . . . . . A 116 LEU HD23 . 36005 1 999 . 1 1 116 116 LEU CA C 13 52.673 . . . . . . A 116 LEU CA . 36005 1 1000 . 1 1 116 116 LEU CB C 13 43.459 . . . . . . A 116 LEU CB . 36005 1 1001 . 1 1 116 116 LEU CD1 C 13 25.216 . . . . . . A 116 LEU CD1 . 36005 1 1002 . 1 1 116 116 LEU CD2 C 13 22.537 . . . . . . A 116 LEU CD2 . 36005 1 1003 . 1 1 116 116 LEU N N 15 125.547 . . . . . . A 116 LEU N . 36005 1 1004 . 1 1 117 117 THR H H 1 9.239 . . . . . . A 117 THR H . 36005 1 1005 . 1 1 117 117 THR HA H 1 4.387 . . . . . . A 117 THR HA . 36005 1 1006 . 1 1 117 117 THR HB H 1 4.683 . . . . . . A 117 THR HB . 36005 1 1007 . 1 1 117 117 THR HG21 H 1 1.258 . . . . . . A 117 THR HG21 . 36005 1 1008 . 1 1 117 117 THR HG22 H 1 1.258 . . . . . . A 117 THR HG22 . 36005 1 1009 . 1 1 117 117 THR HG23 H 1 1.258 . . . . . . A 117 THR HG23 . 36005 1 1010 . 1 1 117 117 THR CA C 13 59.332 . . . . . . A 117 THR CA . 36005 1 1011 . 1 1 117 117 THR CB C 13 69.896 . . . . . . A 117 THR CB . 36005 1 1012 . 1 1 117 117 THR CG2 C 13 20.492 . . . . . . A 117 THR CG2 . 36005 1 1013 . 1 1 117 117 THR N N 15 115.407 . . . . . . A 117 THR N . 36005 1 1014 . 1 1 118 118 ASP H H 1 8.812 . . . . . . A 118 ASP H . 36005 1 1015 . 1 1 118 118 ASP HA H 1 4.137 . . . . . . A 118 ASP HA . 36005 1 1016 . 1 1 118 118 ASP HB2 H 1 2.673 . . . . . . A 118 ASP HB2 . 36005 1 1017 . 1 1 118 118 ASP HB3 H 1 2.518 . . . . . . A 118 ASP HB3 . 36005 1 1018 . 1 1 118 118 ASP CA C 13 56.630 . . . . . . A 118 ASP CA . 36005 1 1019 . 1 1 118 118 ASP CB C 13 38.435 . . . . . . A 118 ASP CB . 36005 1 1020 . 1 1 118 118 ASP N N 15 121.783 . . . . . . A 118 ASP N . 36005 1 1021 . 1 1 119 119 GLU H H 1 8.532 . . . . . . A 119 GLU H . 36005 1 1022 . 1 1 119 119 GLU HA H 1 4.024 . . . . . . A 119 GLU HA . 36005 1 1023 . 1 1 119 119 GLU CA C 13 58.664 . . . . . . A 119 GLU CA . 36005 1 1024 . 1 1 119 119 GLU CB C 13 27.837 . . . . . . A 119 GLU CB . 36005 1 1025 . 1 1 119 119 GLU N N 15 119.752 . . . . . . A 119 GLU N . 36005 1 1026 . 1 1 121 121 VAL H H 1 7.975 . . . . . . A 121 VAL H . 36005 1 1027 . 1 1 121 121 VAL HA H 1 3.531 . . . . . . A 121 VAL HA . 36005 1 1028 . 1 1 121 121 VAL HB H 1 2.164 . . . . . . A 121 VAL HB . 36005 1 1029 . 1 1 121 121 VAL HG11 H 1 0.909 . . . . . . A 121 VAL HG11 . 36005 1 1030 . 1 1 121 121 VAL HG12 H 1 0.909 . . . . . . A 121 VAL HG12 . 36005 1 1031 . 1 1 121 121 VAL HG13 H 1 0.909 . . . . . . A 121 VAL HG13 . 36005 1 1032 . 1 1 121 121 VAL HG21 H 1 0.965 . . . . . . A 121 VAL HG21 . 36005 1 1033 . 1 1 121 121 VAL HG22 H 1 0.965 . . . . . . A 121 VAL HG22 . 36005 1 1034 . 1 1 121 121 VAL HG23 H 1 0.965 . . . . . . A 121 VAL HG23 . 36005 1 1035 . 1 1 121 121 VAL CA C 13 65.640 . . . . . . A 121 VAL CA . 36005 1 1036 . 1 1 121 121 VAL CB C 13 30.259 . . . . . . A 121 VAL CB . 36005 1 1037 . 1 1 121 121 VAL CG1 C 13 22.218 . . . . . . A 121 VAL CG1 . 36005 1 1038 . 1 1 121 121 VAL CG2 C 13 20.986 . . . . . . A 121 VAL CG2 . 36005 1 1039 . 1 1 121 121 VAL N N 15 121.126 . . . . . . A 121 VAL N . 36005 1 1040 . 1 1 122 122 ASP H H 1 8.000 . . . . . . A 122 ASP H . 36005 1 1041 . 1 1 122 122 ASP HA H 1 4.254 . . . . . . A 122 ASP HA . 36005 1 1042 . 1 1 122 122 ASP HB2 H 1 2.674 . . . . . . A 122 ASP HB2 . 36005 1 1043 . 1 1 122 122 ASP HB3 H 1 2.540 . . . . . . A 122 ASP HB3 . 36005 1 1044 . 1 1 122 122 ASP CA C 13 56.302 . . . . . . A 122 ASP CA . 36005 1 1045 . 1 1 122 122 ASP CB C 13 39.291 . . . . . . A 122 ASP CB . 36005 1 1046 . 1 1 122 122 ASP N N 15 120.159 . . . . . . A 122 ASP N . 36005 1 1047 . 1 1 123 123 GLU H H 1 7.954 . . . . . . A 123 GLU H . 36005 1 1048 . 1 1 123 123 GLU HA H 1 3.928 . . . . . . A 123 GLU HA . 36005 1 1049 . 1 1 123 123 GLU HB2 H 1 2.010 . . . . . . A 123 GLU HB2 . 36005 1 1050 . 1 1 123 123 GLU HB3 H 1 2.010 . . . . . . A 123 GLU HB3 . 36005 1 1051 . 1 1 123 123 GLU HG2 H 1 2.234 . . . . . . A 123 GLU HG2 . 36005 1 1052 . 1 1 123 123 GLU HG3 H 1 2.234 . . . . . . A 123 GLU HG3 . 36005 1 1053 . 1 1 123 123 GLU CA C 13 57.960 . . . . . . A 123 GLU CA . 36005 1 1054 . 1 1 123 123 GLU CB C 13 28.278 . . . . . . A 123 GLU CB . 36005 1 1055 . 1 1 123 123 GLU N N 15 120.079 . . . . . . A 123 GLU N . 36005 1 1056 . 1 1 124 124 MET H H 1 7.567 . . . . . . A 124 MET H . 36005 1 1057 . 1 1 124 124 MET HA H 1 3.954 . . . . . . A 124 MET HA . 36005 1 1058 . 1 1 124 124 MET HB2 H 1 2.747 . . . . . . A 124 MET HB2 . 36005 1 1059 . 1 1 124 124 MET HB3 H 1 2.727 . . . . . . A 124 MET HB3 . 36005 1 1060 . 1 1 124 124 MET CA C 13 58.289 . . . . . . A 124 MET CA . 36005 1 1061 . 1 1 124 124 MET CB C 13 32.175 . . . . . . A 124 MET CB . 36005 1 1062 . 1 1 124 124 MET N N 15 119.711 . . . . . . A 124 MET N . 36005 1 1063 . 1 1 125 125 ILE H H 1 7.711 . . . . . . A 125 ILE H . 36005 1 1064 . 1 1 125 125 ILE HA H 1 3.423 . . . . . . A 125 ILE HA . 36005 1 1065 . 1 1 125 125 ILE HB H 1 2.090 . . . . . . A 125 ILE HB . 36005 1 1066 . 1 1 125 125 ILE HG12 H 1 1.386 . . . . . . A 125 ILE HG12 . 36005 1 1067 . 1 1 125 125 ILE HG13 H 1 1.345 . . . . . . A 125 ILE HG13 . 36005 1 1068 . 1 1 125 125 ILE HG21 H 1 0.630 . . . . . . A 125 ILE HG21 . 36005 1 1069 . 1 1 125 125 ILE HG22 H 1 0.630 . . . . . . A 125 ILE HG22 . 36005 1 1070 . 1 1 125 125 ILE HG23 H 1 0.630 . . . . . . A 125 ILE HG23 . 36005 1 1071 . 1 1 125 125 ILE HD11 H 1 0.604 . . . . . . A 125 ILE HD11 . 36005 1 1072 . 1 1 125 125 ILE HD12 H 1 0.604 . . . . . . A 125 ILE HD12 . 36005 1 1073 . 1 1 125 125 ILE HD13 H 1 0.604 . . . . . . A 125 ILE HD13 . 36005 1 1074 . 1 1 125 125 ILE CA C 13 62.060 . . . . . . A 125 ILE CA . 36005 1 1075 . 1 1 125 125 ILE CB C 13 35.004 . . . . . . A 125 ILE CB . 36005 1 1076 . 1 1 125 125 ILE CG1 C 13 26.609 . . . . . . A 125 ILE CG1 . 36005 1 1077 . 1 1 125 125 ILE CG2 C 13 14.987 . . . . . . A 125 ILE CG2 . 36005 1 1078 . 1 1 125 125 ILE CD1 C 13 8.905 . . . . . . A 125 ILE CD1 . 36005 1 1079 . 1 1 125 125 ILE N N 15 118.225 . . . . . . A 125 ILE N . 36005 1 1080 . 1 1 126 126 ARG H H 1 8.245 . . . . . . A 126 ARG H . 36005 1 1081 . 1 1 126 126 ARG HA H 1 3.936 . . . . . . A 126 ARG HA . 36005 1 1082 . 1 1 126 126 ARG HB2 H 1 1.833 . . . . . . A 126 ARG HB2 . 36005 1 1083 . 1 1 126 126 ARG HB3 H 1 1.833 . . . . . . A 126 ARG HB3 . 36005 1 1084 . 1 1 126 126 ARG HD2 H 1 3.135 . . . . . . A 126 ARG HD2 . 36005 1 1085 . 1 1 126 126 ARG HD3 H 1 3.135 . . . . . . A 126 ARG HD3 . 36005 1 1086 . 1 1 126 126 ARG CA C 13 58.421 . . . . . . A 126 ARG CA . 36005 1 1087 . 1 1 126 126 ARG CB C 13 29.011 . . . . . . A 126 ARG CB . 36005 1 1088 . 1 1 126 126 ARG CG C 13 26.496 . . . . . . A 126 ARG CG . 36005 1 1089 . 1 1 126 126 ARG CD C 13 42.243 . . . . . . A 126 ARG CD . 36005 1 1090 . 1 1 126 126 ARG N N 15 118.849 . . . . . . A 126 ARG N . 36005 1 1091 . 1 1 127 127 GLU H H 1 7.615 . . . . . . A 127 GLU H . 36005 1 1092 . 1 1 127 127 GLU HA H 1 3.915 . . . . . . A 127 GLU HA . 36005 1 1093 . 1 1 127 127 GLU HB2 H 1 1.974 . . . . . . A 127 GLU HB2 . 36005 1 1094 . 1 1 127 127 GLU HB3 H 1 1.974 . . . . . . A 127 GLU HB3 . 36005 1 1095 . 1 1 127 127 GLU HG2 H 1 2.241 . . . . . . A 127 GLU HG2 . 36005 1 1096 . 1 1 127 127 GLU HG3 H 1 2.241 . . . . . . A 127 GLU HG3 . 36005 1 1097 . 1 1 127 127 GLU CA C 13 57.405 . . . . . . A 127 GLU CA . 36005 1 1098 . 1 1 127 127 GLU CB C 13 28.437 . . . . . . A 127 GLU CB . 36005 1 1099 . 1 1 127 127 GLU N N 15 116.866 . . . . . . A 127 GLU N . 36005 1 1100 . 1 1 128 128 ALA H H 1 7.090 . . . . . . A 128 ALA H . 36005 1 1101 . 1 1 128 128 ALA HA H 1 4.431 . . . . . . A 128 ALA HA . 36005 1 1102 . 1 1 128 128 ALA HB1 H 1 1.321 . . . . . . A 128 ALA HB1 . 36005 1 1103 . 1 1 128 128 ALA HB2 H 1 1.321 . . . . . . A 128 ALA HB2 . 36005 1 1104 . 1 1 128 128 ALA HB3 H 1 1.321 . . . . . . A 128 ALA HB3 . 36005 1 1105 . 1 1 128 128 ALA CA C 13 50.569 . . . . . . A 128 ALA CA . 36005 1 1106 . 1 1 128 128 ALA CB C 13 20.234 . . . . . . A 128 ALA CB . 36005 1 1107 . 1 1 128 128 ALA N N 15 118.800 . . . . . . A 128 ALA N . 36005 1 1108 . 1 1 129 129 ASP H H 1 7.788 . . . . . . A 129 ASP H . 36005 1 1109 . 1 1 129 129 ASP HA H 1 4.394 . . . . . . A 129 ASP HA . 36005 1 1110 . 1 1 129 129 ASP HB2 H 1 2.371 . . . . . . A 129 ASP HB2 . 36005 1 1111 . 1 1 129 129 ASP HB3 H 1 2.744 . . . . . . A 129 ASP HB3 . 36005 1 1112 . 1 1 129 129 ASP CA C 13 52.723 . . . . . . A 129 ASP CA . 36005 1 1113 . 1 1 129 129 ASP CB C 13 39.313 . . . . . . A 129 ASP CB . 36005 1 1114 . 1 1 129 129 ASP N N 15 118.840 . . . . . . A 129 ASP N . 36005 1 1115 . 1 1 130 130 ILE H H 1 8.098 . . . . . . A 130 ILE H . 36005 1 1116 . 1 1 130 130 ILE HA H 1 3.799 . . . . . . A 130 ILE HA . 36005 1 1117 . 1 1 130 130 ILE HB H 1 1.906 . . . . . . A 130 ILE HB . 36005 1 1118 . 1 1 130 130 ILE HG12 H 1 1.646 . . . . . . A 130 ILE HG12 . 36005 1 1119 . 1 1 130 130 ILE HG13 H 1 1.207 . . . . . . A 130 ILE HG13 . 36005 1 1120 . 1 1 130 130 ILE HG21 H 1 0.861 . . . . . . A 130 ILE HG21 . 36005 1 1121 . 1 1 130 130 ILE HG22 H 1 0.861 . . . . . . A 130 ILE HG22 . 36005 1 1122 . 1 1 130 130 ILE HG23 H 1 0.861 . . . . . . A 130 ILE HG23 . 36005 1 1123 . 1 1 130 130 ILE HD11 H 1 0.823 . . . . . . A 130 ILE HD11 . 36005 1 1124 . 1 1 130 130 ILE HD12 H 1 0.823 . . . . . . A 130 ILE HD12 . 36005 1 1125 . 1 1 130 130 ILE HD13 H 1 0.823 . . . . . . A 130 ILE HD13 . 36005 1 1126 . 1 1 130 130 ILE CA C 13 62.440 . . . . . . A 130 ILE CA . 36005 1 1127 . 1 1 130 130 ILE CB C 13 37.274 . . . . . . A 130 ILE CB . 36005 1 1128 . 1 1 130 130 ILE CG1 C 13 26.771 . . . . . . A 130 ILE CG1 . 36005 1 1129 . 1 1 130 130 ILE CG2 C 13 16.073 . . . . . . A 130 ILE CG2 . 36005 1 1130 . 1 1 130 130 ILE CD1 C 13 11.173 . . . . . . A 130 ILE CD1 . 36005 1 1131 . 1 1 130 130 ILE N N 15 128.438 . . . . . . A 130 ILE N . 36005 1 1132 . 1 1 131 131 ASP H H 1 8.307 . . . . . . A 131 ASP H . 36005 1 1133 . 1 1 131 131 ASP HA H 1 4.404 . . . . . . A 131 ASP HA . 36005 1 1134 . 1 1 131 131 ASP HB2 H 1 2.982 . . . . . . A 131 ASP HB2 . 36005 1 1135 . 1 1 131 131 ASP CA C 13 52.803 . . . . . . A 131 ASP CA . 36005 1 1136 . 1 1 131 131 ASP CB C 13 38.835 . . . . . . A 131 ASP CB . 36005 1 1137 . 1 1 131 131 ASP N N 15 117.046 . . . . . . A 131 ASP N . 36005 1 1138 . 1 1 132 132 GLY H H 1 7.547 . . . . . . A 132 GLY H . 36005 1 1139 . 1 1 132 132 GLY CA C 13 46.242 . . . . . . A 132 GLY CA . 36005 1 1140 . 1 1 132 132 GLY N N 15 109.096 . . . . . . A 132 GLY N . 36005 1 1141 . 1 1 133 133 ASP H H 1 8.278 . . . . . . A 133 ASP H . 36005 1 1142 . 1 1 133 133 ASP HA H 1 4.369 . . . . . . A 133 ASP HA . 36005 1 1143 . 1 1 133 133 ASP HB2 H 1 2.873 . . . . . . A 133 ASP HB2 . 36005 1 1144 . 1 1 133 133 ASP HB3 H 1 2.404 . . . . . . A 133 ASP HB3 . 36005 1 1145 . 1 1 133 133 ASP CA C 13 52.417 . . . . . . A 133 ASP CA . 36005 1 1146 . 1 1 133 133 ASP CB C 13 39.007 . . . . . . A 133 ASP CB . 36005 1 1147 . 1 1 133 133 ASP N N 15 121.382 . . . . . . A 133 ASP N . 36005 1 1148 . 1 1 134 134 GLY H H 1 10.224 . . . . . . A 134 GLY H . 36005 1 1149 . 1 1 134 134 GLY HA2 H 1 3.974 . . . . . . A 134 GLY HA2 . 36005 1 1150 . 1 1 134 134 GLY HA3 H 1 3.350 . . . . . . A 134 GLY HA3 . 36005 1 1151 . 1 1 134 134 GLY CA C 13 44.470 . . . . . . A 134 GLY CA . 36005 1 1152 . 1 1 134 134 GLY N N 15 113.335 . . . . . . A 134 GLY N . 36005 1 1153 . 1 1 135 135 GLN H H 1 7.892 . . . . . . A 135 GLN H . 36005 1 1154 . 1 1 135 135 GLN HA H 1 4.831 . . . . . . A 135 GLN HA . 36005 1 1155 . 1 1 135 135 GLN HB2 H 1 1.919 . . . . . . A 135 GLN HB2 . 36005 1 1156 . 1 1 135 135 GLN HB3 H 1 1.634 . . . . . . A 135 GLN HB3 . 36005 1 1157 . 1 1 135 135 GLN CA C 13 52.044 . . . . . . A 135 GLN CA . 36005 1 1158 . 1 1 135 135 GLN CB C 13 31.473 . . . . . . A 135 GLN CB . 36005 1 1159 . 1 1 135 135 GLN N N 15 116.165 . . . . . . A 135 GLN N . 36005 1 1160 . 1 1 136 136 VAL H H 1 9.009 . . . . . . A 136 VAL H . 36005 1 1161 . 1 1 136 136 VAL HA H 1 5.139 . . . . . . A 136 VAL HA . 36005 1 1162 . 1 1 136 136 VAL HB H 1 2.141 . . . . . . A 136 VAL HB . 36005 1 1163 . 1 1 136 136 VAL HG11 H 1 0.835 . . . . . . A 136 VAL HG11 . 36005 1 1164 . 1 1 136 136 VAL HG12 H 1 0.835 . . . . . . A 136 VAL HG12 . 36005 1 1165 . 1 1 136 136 VAL HG13 H 1 0.835 . . . . . . A 136 VAL HG13 . 36005 1 1166 . 1 1 136 136 VAL HG21 H 1 1.186 . . . . . . A 136 VAL HG21 . 36005 1 1167 . 1 1 136 136 VAL HG22 H 1 1.186 . . . . . . A 136 VAL HG22 . 36005 1 1168 . 1 1 136 136 VAL HG23 H 1 1.186 . . . . . . A 136 VAL HG23 . 36005 1 1169 . 1 1 136 136 VAL CA C 13 60.381 . . . . . . A 136 VAL CA . 36005 1 1170 . 1 1 136 136 VAL CB C 13 32.594 . . . . . . A 136 VAL CB . 36005 1 1171 . 1 1 136 136 VAL CG1 C 13 21.356 . . . . . . A 136 VAL CG1 . 36005 1 1172 . 1 1 136 136 VAL CG2 C 13 20.136 . . . . . . A 136 VAL CG2 . 36005 1 1173 . 1 1 136 136 VAL N N 15 126.049 . . . . . . A 136 VAL N . 36005 1 1174 . 1 1 137 137 ASN H H 1 9.451 . . . . . . A 137 ASN H . 36005 1 1175 . 1 1 137 137 ASN HA H 1 5.266 . . . . . . A 137 ASN HA . 36005 1 1176 . 1 1 137 137 ASN HB2 H 1 2.848 . . . . . . A 137 ASN HB2 . 36005 1 1177 . 1 1 137 137 ASN HB3 H 1 3.103 . . . . . . A 137 ASN HB3 . 36005 1 1178 . 1 1 137 137 ASN CA C 13 49.758 . . . . . . A 137 ASN CA . 36005 1 1179 . 1 1 137 137 ASN CB C 13 37.297 . . . . . . A 137 ASN CB . 36005 1 1180 . 1 1 137 137 ASN N N 15 129.771 . . . . . . A 137 ASN N . 36005 1 1181 . 1 1 138 138 TYR H H 1 8.259 . . . . . . A 138 TYR H . 36005 1 1182 . 1 1 138 138 TYR HA H 1 3.282 . . . . . . A 138 TYR HA . 36005 1 1183 . 1 1 138 138 TYR HB2 H 1 2.309 . . . . . . A 138 TYR HB2 . 36005 1 1184 . 1 1 138 138 TYR HD1 H 1 6.253 . . . . . . A 138 TYR HD1 . 36005 1 1185 . 1 1 138 138 TYR HD2 H 1 6.243 . . . . . . A 138 TYR HD2 . 36005 1 1186 . 1 1 138 138 TYR HE1 H 1 6.450 . . . . . . A 138 TYR HE1 . 36005 1 1187 . 1 1 138 138 TYR CA C 13 61.235 . . . . . . A 138 TYR CA . 36005 1 1188 . 1 1 138 138 TYR CB C 13 36.677 . . . . . . A 138 TYR CB . 36005 1 1189 . 1 1 138 138 TYR N N 15 119.676 . . . . . . A 138 TYR N . 36005 1 1190 . 1 1 139 139 GLU H H 1 8.021 . . . . . . A 139 GLU H . 36005 1 1191 . 1 1 139 139 GLU HA H 1 3.605 . . . . . . A 139 GLU HA . 36005 1 1192 . 1 1 139 139 GLU HB2 H 1 1.975 . . . . . . A 139 GLU HB2 . 36005 1 1193 . 1 1 139 139 GLU HB3 H 1 2.090 . . . . . . A 139 GLU HB3 . 36005 1 1194 . 1 1 139 139 GLU HG2 H 1 2.274 . . . . . . A 139 GLU HG2 . 36005 1 1195 . 1 1 139 139 GLU HG3 H 1 2.229 . . . . . . A 139 GLU HG3 . 36005 1 1196 . 1 1 139 139 GLU CA C 13 59.019 . . . . . . A 139 GLU CA . 36005 1 1197 . 1 1 139 139 GLU CB C 13 27.603 . . . . . . A 139 GLU CB . 36005 1 1198 . 1 1 139 139 GLU CG C 13 35.876 . . . . . . A 139 GLU CG . 36005 1 1199 . 1 1 139 139 GLU N N 15 119.245 . . . . . . A 139 GLU N . 36005 1 1200 . 1 1 140 140 GLU H H 1 8.674 . . . . . . A 140 GLU H . 36005 1 1201 . 1 1 140 140 GLU HA H 1 3.910 . . . . . . A 140 GLU HA . 36005 1 1202 . 1 1 140 140 GLU HB2 H 1 2.253 . . . . . . A 140 GLU HB2 . 36005 1 1203 . 1 1 140 140 GLU HB3 H 1 2.504 . . . . . . A 140 GLU HB3 . 36005 1 1204 . 1 1 140 140 GLU CA C 13 57.585 . . . . . . A 140 GLU CA . 36005 1 1205 . 1 1 140 140 GLU CB C 13 27.971 . . . . . . A 140 GLU CB . 36005 1 1206 . 1 1 140 140 GLU N N 15 120.560 . . . . . . A 140 GLU N . 36005 1 1207 . 1 1 141 141 PHE H H 1 8.617 . . . . . . A 141 PHE H . 36005 1 1208 . 1 1 141 141 PHE HA H 1 3.893 . . . . . . A 141 PHE HA . 36005 1 1209 . 1 1 141 141 PHE HB2 H 1 3.099 . . . . . . A 141 PHE HB2 . 36005 1 1210 . 1 1 141 141 PHE HB3 H 1 3.099 . . . . . . A 141 PHE HB3 . 36005 1 1211 . 1 1 141 141 PHE HD1 H 1 6.910 . . . . . . A 141 PHE HD1 . 36005 1 1212 . 1 1 141 141 PHE HE1 H 1 7.136 . . . . . . A 141 PHE HE1 . 36005 1 1213 . 1 1 141 141 PHE HE2 H 1 7.141 . . . . . . A 141 PHE HE2 . 36005 1 1214 . 1 1 141 141 PHE HZ H 1 6.940 . . . . . . A 141 PHE HZ . 36005 1 1215 . 1 1 141 141 PHE CA C 13 60.223 . . . . . . A 141 PHE CA . 36005 1 1216 . 1 1 141 141 PHE CB C 13 38.917 . . . . . . A 141 PHE CB . 36005 1 1217 . 1 1 141 141 PHE N N 15 125.080 . . . . . . A 141 PHE N . 36005 1 1218 . 1 1 142 142 VAL H H 1 8.486 . . . . . . A 142 VAL H . 36005 1 1219 . 1 1 142 142 VAL HA H 1 3.125 . . . . . . A 142 VAL HA . 36005 1 1220 . 1 1 142 142 VAL HB H 1 1.766 . . . . . . A 142 VAL HB . 36005 1 1221 . 1 1 142 142 VAL HG11 H 1 0.451 . . . . . . A 142 VAL HG11 . 36005 1 1222 . 1 1 142 142 VAL HG12 H 1 0.451 . . . . . . A 142 VAL HG12 . 36005 1 1223 . 1 1 142 142 VAL HG13 H 1 0.451 . . . . . . A 142 VAL HG13 . 36005 1 1224 . 1 1 142 142 VAL HG21 H 1 0.684 . . . . . . A 142 VAL HG21 . 36005 1 1225 . 1 1 142 142 VAL HG22 H 1 0.684 . . . . . . A 142 VAL HG22 . 36005 1 1226 . 1 1 142 142 VAL HG23 H 1 0.684 . . . . . . A 142 VAL HG23 . 36005 1 1227 . 1 1 142 142 VAL CA C 13 65.708 . . . . . . A 142 VAL CA . 36005 1 1228 . 1 1 142 142 VAL CB C 13 30.202 . . . . . . A 142 VAL CB . 36005 1 1229 . 1 1 142 142 VAL CG1 C 13 21.786 . . . . . . A 142 VAL CG1 . 36005 1 1230 . 1 1 142 142 VAL CG2 C 13 20.167 . . . . . . A 142 VAL CG2 . 36005 1 1231 . 1 1 142 142 VAL N N 15 119.013 . . . . . . A 142 VAL N . 36005 1 1232 . 1 1 143 143 GLN H H 1 7.802 . . . . . . A 143 GLN H . 36005 1 1233 . 1 1 143 143 GLN HA H 1 3.842 . . . . . . A 143 GLN HA . 36005 1 1234 . 1 1 143 143 GLN HB2 H 1 2.053 . . . . . . A 143 GLN HB2 . 36005 1 1235 . 1 1 143 143 GLN HB3 H 1 2.053 . . . . . . A 143 GLN HB3 . 36005 1 1236 . 1 1 143 143 GLN HG2 H 1 2.337 . . . . . . A 143 GLN HG2 . 36005 1 1237 . 1 1 143 143 GLN HG3 H 1 2.337 . . . . . . A 143 GLN HG3 . 36005 1 1238 . 1 1 143 143 GLN HE21 H 1 7.371 . . . . . . A 143 GLN HE21 . 36005 1 1239 . 1 1 143 143 GLN HE22 H 1 6.750 . . . . . . A 143 GLN HE22 . 36005 1 1240 . 1 1 143 143 GLN CA C 13 57.646 . . . . . . A 143 GLN CA . 36005 1 1241 . 1 1 143 143 GLN CB C 13 26.958 . . . . . . A 143 GLN CB . 36005 1 1242 . 1 1 143 143 GLN CG C 13 32.865 . . . . . . A 143 GLN CG . 36005 1 1243 . 1 1 143 143 GLN N N 15 119.955 . . . . . . A 143 GLN N . 36005 1 1244 . 1 1 144 144 MET H H 1 7.624 . . . . . . A 144 MET H . 36005 1 1245 . 1 1 144 144 MET HA H 1 4.139 . . . . . . A 144 MET HA . 36005 1 1246 . 1 1 144 144 MET HB2 H 1 2.415 . . . . . . A 144 MET HB2 . 36005 1 1247 . 1 1 144 144 MET HB3 H 1 2.415 . . . . . . A 144 MET HB3 . 36005 1 1248 . 1 1 144 144 MET CA C 13 57.483 . . . . . . A 144 MET CA . 36005 1 1249 . 1 1 144 144 MET CB C 13 30.449 . . . . . . A 144 MET CB . 36005 1 1250 . 1 1 144 144 MET N N 15 118.713 . . . . . . A 144 MET N . 36005 1 1251 . 1 1 145 145 MET H H 1 7.492 . . . . . . A 145 MET H . 36005 1 1252 . 1 1 145 145 MET HA H 1 4.198 . . . . . . A 145 MET HA . 36005 1 1253 . 1 1 145 145 MET HB2 H 1 1.841 . . . . . . A 145 MET HB2 . 36005 1 1254 . 1 1 145 145 MET HB3 H 1 2.014 . . . . . . A 145 MET HB3 . 36005 1 1255 . 1 1 145 145 MET CA C 13 53.719 . . . . . . A 145 MET CA . 36005 1 1256 . 1 1 145 145 MET N N 15 115.179 . . . . . . A 145 MET N . 36005 1 1257 . 1 1 146 146 THR H H 1 7.403 . . . . . . A 146 THR H . 36005 1 1258 . 1 1 146 146 THR HA H 1 4.287 . . . . . . A 146 THR HA . 36005 1 1259 . 1 1 146 146 THR HB H 1 4.182 . . . . . . A 146 THR HB . 36005 1 1260 . 1 1 146 146 THR HG21 H 1 1.108 . . . . . . A 146 THR HG21 . 36005 1 1261 . 1 1 146 146 THR HG22 H 1 1.108 . . . . . . A 146 THR HG22 . 36005 1 1262 . 1 1 146 146 THR HG23 H 1 1.108 . . . . . . A 146 THR HG23 . 36005 1 1263 . 1 1 146 146 THR CA C 13 60.602 . . . . . . A 146 THR CA . 36005 1 1264 . 1 1 146 146 THR CB C 13 69.271 . . . . . . A 146 THR CB . 36005 1 1265 . 1 1 146 146 THR CG2 C 13 19.979 . . . . . . A 146 THR CG2 . 36005 1 1266 . 1 1 146 146 THR N N 15 109.759 . . . . . . A 146 THR N . 36005 1 1267 . 1 1 147 147 ALA H H 1 7.825 . . . . . . A 147 ALA H . 36005 1 1268 . 1 1 147 147 ALA HA H 1 4.236 . . . . . . A 147 ALA HA . 36005 1 1269 . 1 1 147 147 ALA HB1 H 1 1.335 . . . . . . A 147 ALA HB1 . 36005 1 1270 . 1 1 147 147 ALA HB2 H 1 1.335 . . . . . . A 147 ALA HB2 . 36005 1 1271 . 1 1 147 147 ALA HB3 H 1 1.335 . . . . . . A 147 ALA HB3 . 36005 1 1272 . 1 1 147 147 ALA CA C 13 51.536 . . . . . . A 147 ALA CA . 36005 1 1273 . 1 1 147 147 ALA CB C 13 17.859 . . . . . . A 147 ALA CB . 36005 1 1274 . 1 1 147 147 ALA N N 15 127.461 . . . . . . A 147 ALA N . 36005 1 1275 . 1 1 148 148 LYS H H 1 7.802 . . . . . . A 148 LYS H . 36005 1 1276 . 1 1 148 148 LYS HA H 1 4.063 . . . . . . A 148 LYS HA . 36005 1 1277 . 1 1 148 148 LYS HB2 H 1 1.750 . . . . . . A 148 LYS HB2 . 36005 1 1278 . 1 1 148 148 LYS HB3 H 1 1.623 . . . . . . A 148 LYS HB3 . 36005 1 1279 . 1 1 148 148 LYS HG2 H 1 1.348 . . . . . . A 148 LYS HG2 . 36005 1 1280 . 1 1 148 148 LYS HG3 H 1 1.348 . . . . . . A 148 LYS HG3 . 36005 1 1281 . 1 1 148 148 LYS HD2 H 1 1.591 . . . . . . A 148 LYS HD2 . 36005 1 1282 . 1 1 148 148 LYS HD3 H 1 1.591 . . . . . . A 148 LYS HD3 . 36005 1 1283 . 1 1 148 148 LYS CA C 13 56.321 . . . . . . A 148 LYS CA . 36005 1 1284 . 1 1 148 148 LYS CB C 13 32.386 . . . . . . A 148 LYS CB . 36005 1 1285 . 1 1 148 148 LYS CG C 13 23.474 . . . . . . A 148 LYS CG . 36005 1 1286 . 1 1 148 148 LYS CD C 13 27.777 . . . . . . A 148 LYS CD . 36005 1 1287 . 1 1 148 148 LYS N N 15 126.662 . . . . . . A 148 LYS N . 36005 1 stop_ save_