data_36532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36532 _Entry.Title ; Solution Structure of the C65A/C167A Mutant of Human Lipocalin-type Prostaglandin D Synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-20 _Entry.Accession_date 2023-08-02 _Entry.Last_release_date 2023-08-02 _Entry.Original_release_date 2023-08-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Miyamoto Y. . . . 36532 2 T. Inui T. . . . 36532 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BETA-BARREL . 36532 'FATTY ACID BIOSYNTHESIS' . 36532 GLYCOPROTEIN . 36532 ISOMERASE . 36532 LIPOCALIN . 36532 'PROSTAGLANDIN BIOSYNTHESIS' . 36532 SECRETED . 36532 TRANSPORT . 36532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 662 36532 '15N chemical shifts' 170 36532 '1H chemical shifts' 975 36532 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-04 . original BMRB . 36532 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8HTA 'BMRB Entry Tracking System' 36532 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36532 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37021622 _Citation.DOI 10.1111/febs.16791 _Citation.Full_citation . _Citation.Title ; Structural and interaction analysis of human lipocalin-type prostaglandin D synthase with the poorly water-soluble drug NBQX. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 290 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-464X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3983 _Citation.Page_last 3996 _Citation.Year 2023 _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 Yuya Miyamoto Y. . . . 36532 1 2 Masatoshi Nakatsuji M. . . . 36532 1 3 Takuya Yoshida T. . . . 36532 1 4 Tadayasu Ohkubo T. . . . 36532 1 5 Takashi Inui T. . . . 36532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36532 _Assembly.ID 1 _Assembly.Name 'Prostaglandin-H2 D-isomerase (E.C.5.3.99.2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 18796.988 _Assembly.Enzyme_commission_number 5.3.99.2 _Assembly.Details ; Beta-trace protein, Cerebrin-28, Glutathione-independent PGD synthase, Lipocalin-type prostaglandin-D synthase, L-PGDS, Prostaglandin-D2 synthase, PGD2 synthase, PGDS, PGDS2. ; _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 . . . . . . 36532 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide sing . 1 entity_1 1 CYS 69 69 SG . 1 entity_1 1 CYS 166 166 SG . . A 89 CYS SG . . A 186 CYS SG 36532 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 69 69 HG A 89 CYS HG 36532 1 2 . 1 . CYS 166 166 HG A 186 CYS HG 36532 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 21 GLY . start no . 36532 1 . 1 1 10 VAL 10 . A 30 VAL . middle . . 36532 1 . 1 1 100 VAL 100 . A 120 VAL . middle . . 36532 1 . 1 1 101 VAL 101 . A 121 VAL . middle . . 36532 1 . 1 1 102 GLU 102 . A 122 GLU . middle . . 36532 1 . 1 1 103 THR 103 . A 123 THR . middle . . 36532 1 . 1 1 104 ASP 104 . A 124 ASP . middle . . 36532 1 . 1 1 105 TYR 105 . A 125 TYR . middle . . 36532 1 . 1 1 106 ASP 106 . A 126 ASP . middle . . 36532 1 . 1 1 107 GLN 107 . A 127 GLN . middle . . 36532 1 . 1 1 108 TYR 108 . A 128 TYR . middle . . 36532 1 . 1 1 109 ALA 109 . A 129 ALA . middle . . 36532 1 . 1 1 11 GLN 11 . A 31 GLN . middle . . 36532 1 . 1 1 110 LEU 110 . A 130 LEU . middle . . 36532 1 . 1 1 111 LEU 111 . A 131 LEU . middle . . 36532 1 . 1 1 112 TYR 112 . A 132 TYR . middle . . 36532 1 . 1 1 113 SER 113 . A 133 SER . middle . . 36532 1 . 1 1 114 GLN 114 . A 134 GLN . middle . . 36532 1 . 1 1 115 GLY 115 . A 135 GLY . middle no . 36532 1 . 1 1 116 SER 116 . A 136 SER . middle . . 36532 1 . 1 1 117 LYS 117 . A 137 LYS . middle . . 36532 1 . 1 1 118 GLY 118 . A 138 GLY . middle no . 36532 1 . 1 1 119 PRO 119 . A 139 PRO . middle no . 36532 1 . 1 1 12 PRO 12 . A 32 PRO . middle no . 36532 1 . 1 1 120 GLY 120 . A 140 GLY . middle no . 36532 1 . 1 1 121 GLU 121 . A 141 GLU . middle . . 36532 1 . 1 1 122 ASP 122 . A 142 ASP . middle . . 36532 1 . 1 1 123 PHE 123 . A 143 PHE . middle . . 36532 1 . 1 1 124 ARG 124 . A 144 ARG . middle . . 36532 1 . 1 1 125 MET 125 . A 145 MET . middle . . 36532 1 . 1 1 126 ALA 126 . A 146 ALA . middle . . 36532 1 . 1 1 127 THR 127 . A 147 THR . middle . . 36532 1 . 1 1 128 LEU 128 . A 148 LEU . middle . . 36532 1 . 1 1 129 TYR 129 . A 149 TYR . middle . . 36532 1 . 1 1 13 ASN 13 . A 33 ASN . middle . . 36532 1 . 1 1 130 SER 130 . A 150 SER . middle . . 36532 1 . 1 1 131 ARG 131 . A 151 ARG . middle . . 36532 1 . 1 1 132 THR 132 . A 152 THR . middle . . 36532 1 . 1 1 133 GLN 133 . A 153 GLN . middle . . 36532 1 . 1 1 134 THR 134 . A 154 THR . middle . . 36532 1 . 1 1 135 PRO 135 . A 155 PRO . middle no . 36532 1 . 1 1 136 ARG 136 . A 156 ARG . middle . . 36532 1 . 1 1 137 ALA 137 . A 157 ALA . middle . . 36532 1 . 1 1 138 GLU 138 . A 158 GLU . middle . . 36532 1 . 1 1 139 LEU 139 . A 159 LEU . middle . . 36532 1 . 1 1 14 PHE 14 . A 34 PHE . middle . . 36532 1 . 1 1 140 LYS 140 . A 160 LYS . middle . . 36532 1 . 1 1 141 GLU 141 . A 161 GLU . middle . . 36532 1 . 1 1 142 LYS 142 . A 162 LYS . middle . . 36532 1 . 1 1 143 PHE 143 . A 163 PHE . middle . . 36532 1 . 1 1 144 THR 144 . A 164 THR . middle . . 36532 1 . 1 1 145 ALA 145 . A 165 ALA . middle . . 36532 1 . 1 1 146 PHE 146 . A 166 PHE . middle . . 36532 1 . 1 1 147 ALA 147 . A 167 ALA . middle . . 36532 1 . 1 1 148 LYS 148 . A 168 LYS . middle . . 36532 1 . 1 1 149 ALA 149 . A 169 ALA . middle . . 36532 1 . 1 1 15 GLN 15 . A 35 GLN . middle . . 36532 1 . 1 1 150 GLN 150 . A 170 GLN . middle . . 36532 1 . 1 1 151 GLY 151 . A 171 GLY . middle no . 36532 1 . 1 1 152 PHE 152 . A 172 PHE . middle . . 36532 1 . 1 1 153 THR 153 . A 173 THR . middle . . 36532 1 . 1 1 154 GLU 154 . A 174 GLU . middle . . 36532 1 . 1 1 155 ASP 155 . A 175 ASP . middle . . 36532 1 . 1 1 156 THR 156 . A 176 THR . middle . . 36532 1 . 1 1 157 ILE 157 . A 177 ILE . middle . . 36532 1 . 1 1 158 VAL 158 . A 178 VAL . middle . . 36532 1 . 1 1 159 PHE 159 . A 179 PHE . middle . . 36532 1 . 1 1 16 GLN 16 . A 36 GLN . middle . . 36532 1 . 1 1 160 LEU 160 . A 180 LEU . middle . . 36532 1 . 1 1 161 PRO 161 . A 181 PRO . middle no . 36532 1 . 1 1 162 GLN 162 . A 182 GLN . middle . . 36532 1 . 1 1 163 THR 163 . A 183 THR . middle . . 36532 1 . 1 1 164 ASP 164 . A 184 ASP . middle . . 36532 1 . 1 1 165 LYS 165 . A 185 LYS . middle . . 36532 1 . 1 1 166 CYS 166 . A 186 CYS . middle . . 36532 1 . 1 1 167 MET 167 . A 187 MET . middle . . 36532 1 . 1 1 168 THR 168 . A 188 THR . middle . . 36532 1 . 1 1 169 GLU 169 . A 189 GLU . middle . . 36532 1 . 1 1 17 ASP 17 . A 37 ASP . middle . . 36532 1 . 1 1 170 GLN 170 . A 190 GLN . end . . 36532 1 . 1 1 18 LYS 18 . A 38 LYS . middle . . 36532 1 . 1 1 19 PHE 19 . A 39 PHE . middle . . 36532 1 . 1 1 2 SER 2 . A 22 SER . middle . . 36532 1 . 1 1 20 LEU 20 . A 40 LEU . middle . . 36532 1 . 1 1 21 GLY 21 . A 41 GLY . middle no . 36532 1 . 1 1 22 ARG 22 . A 42 ARG . middle . . 36532 1 . 1 1 23 TRP 23 . A 43 TRP . middle . . 36532 1 . 1 1 24 PHE 24 . A 44 PHE . middle . . 36532 1 . 1 1 25 SER 25 . A 45 SER . middle . . 36532 1 . 1 1 26 ALA 26 . A 46 ALA . middle . . 36532 1 . 1 1 27 GLY 27 . A 47 GLY . middle no . 36532 1 . 1 1 28 LEU 28 . A 48 LEU . middle . . 36532 1 . 1 1 29 ALA 29 . A 49 ALA . middle . . 36532 1 . 1 1 3 ALA 3 . A 23 ALA . middle . . 36532 1 . 1 1 30 SER 30 . A 50 SER . middle . . 36532 1 . 1 1 31 ASN 31 . A 51 ASN . middle . . 36532 1 . 1 1 32 SER 32 . A 52 SER . middle . . 36532 1 . 1 1 33 SER 33 . A 53 SER . middle . . 36532 1 . 1 1 34 TRP 34 . A 54 TRP . middle . . 36532 1 . 1 1 35 LEU 35 . A 55 LEU . middle . . 36532 1 . 1 1 36 ARG 36 . A 56 ARG . middle . . 36532 1 . 1 1 37 GLU 37 . A 57 GLU . middle . . 36532 1 . 1 1 38 LYS 38 . A 58 LYS . middle . . 36532 1 . 1 1 39 LYS 39 . A 59 LYS . middle . . 36532 1 . 1 1 4 PRO 4 . A 24 PRO . middle no . 36532 1 . 1 1 40 ALA 40 . A 60 ALA . middle . . 36532 1 . 1 1 41 ALA 41 . A 61 ALA . middle . . 36532 1 . 1 1 42 LEU 42 . A 62 LEU . middle . . 36532 1 . 1 1 43 SER 43 . A 63 SER . middle . . 36532 1 . 1 1 44 MET 44 . A 64 MET . middle . . 36532 1 . 1 1 45 ALA 45 . A 65 ALA . middle . . 36532 1 . 1 1 46 LYS 46 . A 66 LYS . middle . . 36532 1 . 1 1 47 SER 47 . A 67 SER . middle . . 36532 1 . 1 1 48 VAL 48 . A 68 VAL . middle . . 36532 1 . 1 1 49 VAL 49 . A 69 VAL . middle . . 36532 1 . 1 1 5 GLU 5 . A 25 GLU . middle . . 36532 1 . 1 1 50 ALA 50 . A 70 ALA . middle . . 36532 1 . 1 1 51 PRO 51 . A 71 PRO . middle no . 36532 1 . 1 1 52 ALA 52 . A 72 ALA . middle . . 36532 1 . 1 1 53 THR 53 . A 73 THR . middle . . 36532 1 . 1 1 54 ASP 54 . A 74 ASP . middle . . 36532 1 . 1 1 55 GLY 55 . A 75 GLY . middle no . 36532 1 . 1 1 56 GLY 56 . A 76 GLY . middle no . 36532 1 . 1 1 57 LEU 57 . A 77 LEU . middle . . 36532 1 . 1 1 58 ASN 58 . A 78 ASN . middle . . 36532 1 . 1 1 59 LEU 59 . A 79 LEU . middle . . 36532 1 . 1 1 6 ALA 6 . A 26 ALA . middle . . 36532 1 . 1 1 60 THR 60 . A 80 THR . middle . . 36532 1 . 1 1 61 SER 61 . A 81 SER . middle . . 36532 1 . 1 1 62 THR 62 . A 82 THR . middle . . 36532 1 . 1 1 63 PHE 63 . A 83 PHE . middle . . 36532 1 . 1 1 64 LEU 64 . A 84 LEU . middle . . 36532 1 . 1 1 65 ARG 65 . A 85 ARG . middle . . 36532 1 . 1 1 66 LYS 66 . A 86 LYS . middle . . 36532 1 . 1 1 67 ASN 67 . A 87 ASN . middle . . 36532 1 . 1 1 68 GLN 68 . A 88 GLN . middle . . 36532 1 . 1 1 69 CYS 69 . A 89 CYS . middle . . 36532 1 . 1 1 7 GLN 7 . A 27 GLN . middle . . 36532 1 . 1 1 70 GLU 70 . A 90 GLU . middle . . 36532 1 . 1 1 71 THR 71 . A 91 THR . middle . . 36532 1 . 1 1 72 ARG 72 . A 92 ARG . middle . . 36532 1 . 1 1 73 THR 73 . A 93 THR . middle . . 36532 1 . 1 1 74 MET 74 . A 94 MET . middle . . 36532 1 . 1 1 75 LEU 75 . A 95 LEU . middle . . 36532 1 . 1 1 76 LEU 76 . A 96 LEU . middle . . 36532 1 . 1 1 77 GLN 77 . A 97 GLN . middle . . 36532 1 . 1 1 78 PRO 78 . A 98 PRO . middle no . 36532 1 . 1 1 79 ALA 79 . A 99 ALA . middle . . 36532 1 . 1 1 8 VAL 8 . A 28 VAL . middle . . 36532 1 . 1 1 80 GLY 80 . A 100 GLY . middle no . 36532 1 . 1 1 81 SER 81 . A 101 SER . middle . . 36532 1 . 1 1 82 LEU 82 . A 102 LEU . middle . . 36532 1 . 1 1 83 GLY 83 . A 103 GLY . middle no . 36532 1 . 1 1 84 SER 84 . A 104 SER . middle . . 36532 1 . 1 1 85 TYR 85 . A 105 TYR . middle . . 36532 1 . 1 1 86 SER 86 . A 106 SER . middle . . 36532 1 . 1 1 87 TYR 87 . A 107 TYR . middle . . 36532 1 . 1 1 88 ARG 88 . A 108 ARG . middle . . 36532 1 . 1 1 89 SER 89 . A 109 SER . middle . . 36532 1 . 1 1 9 SER 9 . A 29 SER . middle . . 36532 1 . 1 1 90 PRO 90 . A 110 PRO . middle no . 36532 1 . 1 1 91 HIS 91 . A 111 HIS . middle . . 36532 1 . 1 1 92 TRP 92 . A 112 TRP . middle . . 36532 1 . 1 1 93 GLY 93 . A 113 GLY . middle no . 36532 1 . 1 1 94 SER 94 . A 114 SER . middle . . 36532 1 . 1 1 95 THR 95 . A 115 THR . middle . . 36532 1 . 1 1 96 TYR 96 . A 116 TYR . middle . . 36532 1 . 1 1 97 SER 97 . A 117 SER . middle . . 36532 1 . 1 1 98 VAL 98 . A 118 VAL . middle . . 36532 1 . 1 1 99 SER 99 . A 119 SER . middle . . 36532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Prostaglandin-H2 D-isomerase' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSAPEAQVSVQPNFQQDKFL GRWFSAGLASNSSWLREKKA ALSMAKSVVAPATDGGLNLT STFLRKNQCETRTMLLQPAG SLGSYSYRSPHWGSTYSVSV VETDYDQYALLYSQGSKGPG EDFRMATLYSRTQTPRAELK EKFTAFAKAQGFTEDTIVFL PQTDKCMTEQ ; _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C65A,C167A _Entity.EC_number 5.3.99.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18796.988 _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 ; Beta-trace protein,Cerebrin-28,Glutathione-independent PGD synthase,Lipocalin-type prostaglandin-D synthase,L-PGDS,Prostaglandin-D2 synthase,PGD2 synthase,PGDS,PGDS2 ; common 36532 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 21 GLY . 36532 1 2 22 SER . 36532 1 3 23 ALA . 36532 1 4 24 PRO . 36532 1 5 25 GLU . 36532 1 6 26 ALA . 36532 1 7 27 GLN . 36532 1 8 28 VAL . 36532 1 9 29 SER . 36532 1 10 30 VAL . 36532 1 11 31 GLN . 36532 1 12 32 PRO . 36532 1 13 33 ASN . 36532 1 14 34 PHE . 36532 1 15 35 GLN . 36532 1 16 36 GLN . 36532 1 17 37 ASP . 36532 1 18 38 LYS . 36532 1 19 39 PHE . 36532 1 20 40 LEU . 36532 1 21 41 GLY . 36532 1 22 42 ARG . 36532 1 23 43 TRP . 36532 1 24 44 PHE . 36532 1 25 45 SER . 36532 1 26 46 ALA . 36532 1 27 47 GLY . 36532 1 28 48 LEU . 36532 1 29 49 ALA . 36532 1 30 50 SER . 36532 1 31 51 ASN . 36532 1 32 52 SER . 36532 1 33 53 SER . 36532 1 34 54 TRP . 36532 1 35 55 LEU . 36532 1 36 56 ARG . 36532 1 37 57 GLU . 36532 1 38 58 LYS . 36532 1 39 59 LYS . 36532 1 40 60 ALA . 36532 1 41 61 ALA . 36532 1 42 62 LEU . 36532 1 43 63 SER . 36532 1 44 64 MET . 36532 1 45 65 ALA . 36532 1 46 66 LYS . 36532 1 47 67 SER . 36532 1 48 68 VAL . 36532 1 49 69 VAL . 36532 1 50 70 ALA . 36532 1 51 71 PRO . 36532 1 52 72 ALA . 36532 1 53 73 THR . 36532 1 54 74 ASP . 36532 1 55 75 GLY . 36532 1 56 76 GLY . 36532 1 57 77 LEU . 36532 1 58 78 ASN . 36532 1 59 79 LEU . 36532 1 60 80 THR . 36532 1 61 81 SER . 36532 1 62 82 THR . 36532 1 63 83 PHE . 36532 1 64 84 LEU . 36532 1 65 85 ARG . 36532 1 66 86 LYS . 36532 1 67 87 ASN . 36532 1 68 88 GLN . 36532 1 69 89 CYS . 36532 1 70 90 GLU . 36532 1 71 91 THR . 36532 1 72 92 ARG . 36532 1 73 93 THR . 36532 1 74 94 MET . 36532 1 75 95 LEU . 36532 1 76 96 LEU . 36532 1 77 97 GLN . 36532 1 78 98 PRO . 36532 1 79 99 ALA . 36532 1 80 100 GLY . 36532 1 81 101 SER . 36532 1 82 102 LEU . 36532 1 83 103 GLY . 36532 1 84 104 SER . 36532 1 85 105 TYR . 36532 1 86 106 SER . 36532 1 87 107 TYR . 36532 1 88 108 ARG . 36532 1 89 109 SER . 36532 1 90 110 PRO . 36532 1 91 111 HIS . 36532 1 92 112 TRP . 36532 1 93 113 GLY . 36532 1 94 114 SER . 36532 1 95 115 THR . 36532 1 96 116 TYR . 36532 1 97 117 SER . 36532 1 98 118 VAL . 36532 1 99 119 SER . 36532 1 100 120 VAL . 36532 1 101 121 VAL . 36532 1 102 122 GLU . 36532 1 103 123 THR . 36532 1 104 124 ASP . 36532 1 105 125 TYR . 36532 1 106 126 ASP . 36532 1 107 127 GLN . 36532 1 108 128 TYR . 36532 1 109 129 ALA . 36532 1 110 130 LEU . 36532 1 111 131 LEU . 36532 1 112 132 TYR . 36532 1 113 133 SER . 36532 1 114 134 GLN . 36532 1 115 135 GLY . 36532 1 116 136 SER . 36532 1 117 137 LYS . 36532 1 118 138 GLY . 36532 1 119 139 PRO . 36532 1 120 140 GLY . 36532 1 121 141 GLU . 36532 1 122 142 ASP . 36532 1 123 143 PHE . 36532 1 124 144 ARG . 36532 1 125 145 MET . 36532 1 126 146 ALA . 36532 1 127 147 THR . 36532 1 128 148 LEU . 36532 1 129 149 TYR . 36532 1 130 150 SER . 36532 1 131 151 ARG . 36532 1 132 152 THR . 36532 1 133 153 GLN . 36532 1 134 154 THR . 36532 1 135 155 PRO . 36532 1 136 156 ARG . 36532 1 137 157 ALA . 36532 1 138 158 GLU . 36532 1 139 159 LEU . 36532 1 140 160 LYS . 36532 1 141 161 GLU . 36532 1 142 162 LYS . 36532 1 143 163 PHE . 36532 1 144 164 THR . 36532 1 145 165 ALA . 36532 1 146 166 PHE . 36532 1 147 167 ALA . 36532 1 148 168 LYS . 36532 1 149 169 ALA . 36532 1 150 170 GLN . 36532 1 151 171 GLY . 36532 1 152 172 PHE . 36532 1 153 173 THR . 36532 1 154 174 GLU . 36532 1 155 175 ASP . 36532 1 156 176 THR . 36532 1 157 177 ILE . 36532 1 158 178 VAL . 36532 1 159 179 PHE . 36532 1 160 180 LEU . 36532 1 161 181 PRO . 36532 1 162 182 GLN . 36532 1 163 183 THR . 36532 1 164 184 ASP . 36532 1 165 185 LYS . 36532 1 166 186 CYS . 36532 1 167 187 MET . 36532 1 168 188 THR . 36532 1 169 189 GLU . 36532 1 170 190 GLN . 36532 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36532 1 . SER 2 2 36532 1 . ALA 3 3 36532 1 . PRO 4 4 36532 1 . GLU 5 5 36532 1 . ALA 6 6 36532 1 . GLN 7 7 36532 1 . VAL 8 8 36532 1 . SER 9 9 36532 1 . VAL 10 10 36532 1 . GLN 11 11 36532 1 . PRO 12 12 36532 1 . ASN 13 13 36532 1 . PHE 14 14 36532 1 . GLN 15 15 36532 1 . GLN 16 16 36532 1 . ASP 17 17 36532 1 . LYS 18 18 36532 1 . PHE 19 19 36532 1 . LEU 20 20 36532 1 . GLY 21 21 36532 1 . ARG 22 22 36532 1 . TRP 23 23 36532 1 . PHE 24 24 36532 1 . SER 25 25 36532 1 . ALA 26 26 36532 1 . GLY 27 27 36532 1 . LEU 28 28 36532 1 . ALA 29 29 36532 1 . SER 30 30 36532 1 . ASN 31 31 36532 1 . SER 32 32 36532 1 . SER 33 33 36532 1 . TRP 34 34 36532 1 . LEU 35 35 36532 1 . ARG 36 36 36532 1 . GLU 37 37 36532 1 . LYS 38 38 36532 1 . LYS 39 39 36532 1 . ALA 40 40 36532 1 . ALA 41 41 36532 1 . LEU 42 42 36532 1 . SER 43 43 36532 1 . MET 44 44 36532 1 . ALA 45 45 36532 1 . LYS 46 46 36532 1 . SER 47 47 36532 1 . VAL 48 48 36532 1 . VAL 49 49 36532 1 . ALA 50 50 36532 1 . PRO 51 51 36532 1 . ALA 52 52 36532 1 . THR 53 53 36532 1 . ASP 54 54 36532 1 . GLY 55 55 36532 1 . GLY 56 56 36532 1 . LEU 57 57 36532 1 . ASN 58 58 36532 1 . LEU 59 59 36532 1 . THR 60 60 36532 1 . SER 61 61 36532 1 . THR 62 62 36532 1 . PHE 63 63 36532 1 . LEU 64 64 36532 1 . ARG 65 65 36532 1 . LYS 66 66 36532 1 . ASN 67 67 36532 1 . GLN 68 68 36532 1 . CYS 69 69 36532 1 . GLU 70 70 36532 1 . THR 71 71 36532 1 . ARG 72 72 36532 1 . THR 73 73 36532 1 . MET 74 74 36532 1 . LEU 75 75 36532 1 . LEU 76 76 36532 1 . GLN 77 77 36532 1 . PRO 78 78 36532 1 . ALA 79 79 36532 1 . GLY 80 80 36532 1 . SER 81 81 36532 1 . LEU 82 82 36532 1 . GLY 83 83 36532 1 . SER 84 84 36532 1 . TYR 85 85 36532 1 . SER 86 86 36532 1 . TYR 87 87 36532 1 . ARG 88 88 36532 1 . SER 89 89 36532 1 . PRO 90 90 36532 1 . HIS 91 91 36532 1 . TRP 92 92 36532 1 . GLY 93 93 36532 1 . SER 94 94 36532 1 . THR 95 95 36532 1 . TYR 96 96 36532 1 . SER 97 97 36532 1 . VAL 98 98 36532 1 . SER 99 99 36532 1 . VAL 100 100 36532 1 . VAL 101 101 36532 1 . GLU 102 102 36532 1 . THR 103 103 36532 1 . ASP 104 104 36532 1 . TYR 105 105 36532 1 . ASP 106 106 36532 1 . GLN 107 107 36532 1 . TYR 108 108 36532 1 . ALA 109 109 36532 1 . LEU 110 110 36532 1 . LEU 111 111 36532 1 . TYR 112 112 36532 1 . SER 113 113 36532 1 . GLN 114 114 36532 1 . GLY 115 115 36532 1 . SER 116 116 36532 1 . LYS 117 117 36532 1 . GLY 118 118 36532 1 . PRO 119 119 36532 1 . GLY 120 120 36532 1 . GLU 121 121 36532 1 . ASP 122 122 36532 1 . PHE 123 123 36532 1 . ARG 124 124 36532 1 . MET 125 125 36532 1 . ALA 126 126 36532 1 . THR 127 127 36532 1 . LEU 128 128 36532 1 . TYR 129 129 36532 1 . SER 130 130 36532 1 . ARG 131 131 36532 1 . THR 132 132 36532 1 . GLN 133 133 36532 1 . THR 134 134 36532 1 . PRO 135 135 36532 1 . ARG 136 136 36532 1 . ALA 137 137 36532 1 . GLU 138 138 36532 1 . LEU 139 139 36532 1 . LYS 140 140 36532 1 . GLU 141 141 36532 1 . LYS 142 142 36532 1 . PHE 143 143 36532 1 . THR 144 144 36532 1 . ALA 145 145 36532 1 . PHE 146 146 36532 1 . ALA 147 147 36532 1 . LYS 148 148 36532 1 . ALA 149 149 36532 1 . GLN 150 150 36532 1 . GLY 151 151 36532 1 . PHE 152 152 36532 1 . THR 153 153 36532 1 . GLU 154 154 36532 1 . ASP 155 155 36532 1 . THR 156 156 36532 1 . ILE 157 157 36532 1 . VAL 158 158 36532 1 . PHE 159 159 36532 1 . LEU 160 160 36532 1 . PRO 161 161 36532 1 . GLN 162 162 36532 1 . THR 163 163 36532 1 . ASP 164 164 36532 1 . LYS 165 165 36532 1 . CYS 166 166 36532 1 . MET 167 167 36532 1 . THR 168 168 36532 1 . GLU 169 169 36532 1 . GLN 170 170 36532 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36532 _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 . . . Metazoa Homo sapiens . . . . . . . . . . . 'PTGDS, PDS' . 36532 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 36532 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 36532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36532 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-2H] acetic acid, 500 mM [U-13C; U-15N] Prostaglandin-H2 D-isomerase, 10 % [U-99% 2H] D2O, 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 'Prostaglandin-H2 D-isomerase' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 500 . . mM . . . . 36532 1 2 'acetic acid' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36532 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36532 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36532 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36532 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-2H] acetic acid, 500 mM [U-13C; U-15N] Prostaglandin-H2 D-isomerase, 99.95 % [U-100% 2H] D2O, 99.95% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.95% 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 'Prostaglandin-H2 D-isomerase' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 500 . . mM . . . . 36532 2 2 'acetic acid' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36532 2 3 '99.95% D2O' 'natural abundance' . . . . . solvent 100 . . % . . . . 36532 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 36532 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 36532 1 pH 4.0 . pH 36532 1 pressure 1 . atm 36532 1 temperature 308 . K 36532 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 36532 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 36532 2 pH 4.0 . pH 36532 2 pressure 1 . atm 36532 2 temperature 308 . K 36532 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36532 _Software.ID 1 _Software.Type . _Software.Name Sparky _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36532 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36532 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36532 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36532 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36532 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36532 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36532 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36532 3 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 36532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36532 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 36532 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36532 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 2 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 3 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 4 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 5 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 6 '2D 13C-1H (HB)CB(CGCD)HD' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 7 '3D 1H-13C NOESY aromatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 8 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 10 '2D 1H-13C HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36532 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36532 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36532 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36532 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36532 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36532 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36532 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36532 1 3 '3D HNCACB' 1 $sample_1 isotropic 36532 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36532 1 5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36532 1 6 '2D 13C-1H (HB)CB(CGCD)HD' 2 $sample_2 isotropic 36532 1 7 '3D 1H-13C NOESY aromatic' 2 $sample_2 isotropic 36532 1 8 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 36532 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36532 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.906 0.01 . 2 . . . . A 21 GLY HA2 . 36532 1 2 . 1 . 1 1 1 GLY C C 13 170.265 0.2 . 1 . . . . A 21 GLY C . 36532 1 3 . 1 . 1 1 1 GLY CA C 13 43.288 0.2 . 1 . . . . A 21 GLY CA . 36532 1 4 . 1 . 1 2 2 SER H H 1 8.601 0.01 . 1 . . . . A 22 SER H . 36532 1 5 . 1 . 1 2 2 SER HA H 1 4.502 0.01 . 1 . . . . A 22 SER HA . 36532 1 6 . 1 . 1 2 2 SER HB2 H 1 3.847 0.01 . 2 . . . . A 22 SER HB2 . 36532 1 7 . 1 . 1 2 2 SER C C 13 173.694 0.2 . 1 . . . . A 22 SER C . 36532 1 8 . 1 . 1 2 2 SER CA C 13 58.211 0.2 . 1 . . . . A 22 SER CA . 36532 1 9 . 1 . 1 2 2 SER CB C 13 63.958 0.2 . 1 . . . . A 22 SER CB . 36532 1 10 . 1 . 1 2 2 SER N N 15 115.914 0.2 . 1 . . . . A 22 SER N . 36532 1 11 . 1 . 1 3 3 ALA H H 1 8.347 0.01 . 1 . . . . A 23 ALA H . 36532 1 12 . 1 . 1 3 3 ALA HA H 1 4.627 0.01 . 1 . . . . A 23 ALA HA . 36532 1 13 . 1 . 1 3 3 ALA HB1 H 1 1.365 0.01 . 1 . . . . A 23 ALA HB1 . 36532 1 14 . 1 . 1 3 3 ALA HB2 H 1 1.365 0.01 . 1 . . . . A 23 ALA HB2 . 36532 1 15 . 1 . 1 3 3 ALA HB3 H 1 1.365 0.01 . 1 . . . . A 23 ALA HB3 . 36532 1 16 . 1 . 1 3 3 ALA CA C 13 50.52 0.2 . 1 . . . . A 23 ALA CA . 36532 1 17 . 1 . 1 3 3 ALA CB C 13 18.246 0.2 . 1 . . . . A 23 ALA CB . 36532 1 18 . 1 . 1 3 3 ALA N N 15 126.965 0.2 . 1 . . . . A 23 ALA N . 36532 1 19 . 1 . 1 4 4 PRO HA H 1 4.383 0.01 . 1 . . . . A 24 PRO HA . 36532 1 20 . 1 . 1 4 4 PRO HB2 H 1 1.893 0.01 . 2 . . . . A 24 PRO HB2 . 36532 1 21 . 1 . 1 4 4 PRO HB3 H 1 2.275 0.01 . 2 . . . . A 24 PRO HB3 . 36532 1 22 . 1 . 1 4 4 PRO HG2 H 1 2.005 0.01 . 2 . . . . A 24 PRO HG2 . 36532 1 23 . 1 . 1 4 4 PRO HD2 H 1 3.642 0.01 . 2 . . . . A 24 PRO HD2 . 36532 1 24 . 1 . 1 4 4 PRO HD3 H 1 3.788 0.01 . 2 . . . . A 24 PRO HD3 . 36532 1 25 . 1 . 1 4 4 PRO C C 13 176.888 0.2 . 1 . . . . A 24 PRO C . 36532 1 26 . 1 . 1 4 4 PRO CA C 13 63.137 0.2 . 1 . . . . A 24 PRO CA . 36532 1 27 . 1 . 1 4 4 PRO CB C 13 31.989 0.2 . 1 . . . . A 24 PRO CB . 36532 1 28 . 1 . 1 4 4 PRO CG C 13 27.449 0.2 . 1 . . . . A 24 PRO CG . 36532 1 29 . 1 . 1 4 4 PRO CD C 13 50.427 0.2 . 1 . . . . A 24 PRO CD . 36532 1 30 . 1 . 1 5 5 GLU H H 1 8.41 0.01 . 1 . . . . A 25 GLU H . 36532 1 31 . 1 . 1 5 5 GLU HA H 1 4.25 0.01 . 1 . . . . A 25 GLU HA . 36532 1 32 . 1 . 1 5 5 GLU HB2 H 1 1.929 0.01 . 2 . . . . A 25 GLU HB2 . 36532 1 33 . 1 . 1 5 5 GLU HB3 H 1 2.039 0.01 . 2 . . . . A 25 GLU HB3 . 36532 1 34 . 1 . 1 5 5 GLU HG2 H 1 2.345 0.01 . 2 . . . . A 25 GLU HG2 . 36532 1 35 . 1 . 1 5 5 GLU C C 13 175.962 0.2 . 1 . . . . A 25 GLU C . 36532 1 36 . 1 . 1 5 5 GLU CA C 13 56.002 0.2 . 1 . . . . A 25 GLU CA . 36532 1 37 . 1 . 1 5 5 GLU CB C 13 29.66 0.2 . 1 . . . . A 25 GLU CB . 36532 1 38 . 1 . 1 5 5 GLU CG C 13 34.662 0.2 . 1 . . . . A 25 GLU CG . 36532 1 39 . 1 . 1 5 5 GLU N N 15 120.702 0.2 . 1 . . . . A 25 GLU N . 36532 1 40 . 1 . 1 6 6 ALA H H 1 8.231 0.01 . 1 . . . . A 26 ALA H . 36532 1 41 . 1 . 1 6 6 ALA HA H 1 4.285 0.01 . 1 . . . . A 26 ALA HA . 36532 1 42 . 1 . 1 6 6 ALA HB1 H 1 1.335 0.01 . 1 . . . . A 26 ALA HB1 . 36532 1 43 . 1 . 1 6 6 ALA HB2 H 1 1.335 0.01 . 1 . . . . A 26 ALA HB2 . 36532 1 44 . 1 . 1 6 6 ALA HB3 H 1 1.335 0.01 . 1 . . . . A 26 ALA HB3 . 36532 1 45 . 1 . 1 6 6 ALA C C 13 177.306 0.2 . 1 . . . . A 26 ALA C . 36532 1 46 . 1 . 1 6 6 ALA CA C 13 52.234 0.2 . 1 . . . . A 26 ALA CA . 36532 1 47 . 1 . 1 6 6 ALA CB C 13 19.318 0.2 . 1 . . . . A 26 ALA CB . 36532 1 48 . 1 . 1 6 6 ALA N N 15 125.144 0.2 . 1 . . . . A 26 ALA N . 36532 1 49 . 1 . 1 7 7 GLN H H 1 8.274 0.01 . 1 . . . . A 27 GLN H . 36532 1 50 . 1 . 1 7 7 GLN HA H 1 4.339 0.01 . 1 . . . . A 27 GLN HA . 36532 1 51 . 1 . 1 7 7 GLN HB2 H 1 1.95 0.01 . 2 . . . . A 27 GLN HB2 . 36532 1 52 . 1 . 1 7 7 GLN HB3 H 1 2.044 0.01 . 2 . . . . A 27 GLN HB3 . 36532 1 53 . 1 . 1 7 7 GLN HG2 H 1 2.324 0.01 . 2 . . . . A 27 GLN HG2 . 36532 1 54 . 1 . 1 7 7 GLN HE21 H 1 6.843 0.01 . 2 . . . . A 27 GLN HE21 . 36532 1 55 . 1 . 1 7 7 GLN HE22 H 1 7.47 0.01 . 2 . . . . A 27 GLN HE22 . 36532 1 56 . 1 . 1 7 7 GLN C C 13 175.642 0.2 . 1 . . . . A 27 GLN C . 36532 1 57 . 1 . 1 7 7 GLN CA C 13 55.413 0.2 . 1 . . . . A 27 GLN CA . 36532 1 58 . 1 . 1 7 7 GLN CB C 13 29.755 0.2 . 1 . . . . A 27 GLN CB . 36532 1 59 . 1 . 1 7 7 GLN CG C 13 33.709 0.2 . 1 . . . . A 27 GLN CG . 36532 1 60 . 1 . 1 7 7 GLN N N 15 120.243 0.2 . 1 . . . . A 27 GLN N . 36532 1 61 . 1 . 1 7 7 GLN NE2 N 15 112.357 0.2 . 1 . . . . A 27 GLN NE2 . 36532 1 62 . 1 . 1 8 8 VAL H H 1 8.068 0.01 . 1 . . . . A 28 VAL H . 36532 1 63 . 1 . 1 8 8 VAL HA H 1 4.131 0.01 . 1 . . . . A 28 VAL HA . 36532 1 64 . 1 . 1 8 8 VAL HB H 1 1.961 0.01 . 1 . . . . A 28 VAL HB . 36532 1 65 . 1 . 1 8 8 VAL HG11 H 1 0.764 0.01 . 2 . . . . A 28 VAL HG11 . 36532 1 66 . 1 . 1 8 8 VAL HG12 H 1 0.764 0.01 . 2 . . . . A 28 VAL HG12 . 36532 1 67 . 1 . 1 8 8 VAL HG13 H 1 0.764 0.01 . 2 . . . . A 28 VAL HG13 . 36532 1 68 . 1 . 1 8 8 VAL HG21 H 1 0.783 0.01 . 2 . . . . A 28 VAL HG21 . 36532 1 69 . 1 . 1 8 8 VAL HG22 H 1 0.783 0.01 . 2 . . . . A 28 VAL HG22 . 36532 1 70 . 1 . 1 8 8 VAL HG23 H 1 0.783 0.01 . 2 . . . . A 28 VAL HG23 . 36532 1 71 . 1 . 1 8 8 VAL C C 13 175.446 0.2 . 1 . . . . A 28 VAL C . 36532 1 72 . 1 . 1 8 8 VAL CA C 13 61.616 0.2 . 1 . . . . A 28 VAL CA . 36532 1 73 . 1 . 1 8 8 VAL CB C 13 33.093 0.2 . 1 . . . . A 28 VAL CB . 36532 1 74 . 1 . 1 8 8 VAL CG1 C 13 20.534 0.2 . 2 . . . . A 28 VAL CG1 . 36532 1 75 . 1 . 1 8 8 VAL CG2 C 13 21.27 0.2 . 2 . . . . A 28 VAL CG2 . 36532 1 76 . 1 . 1 8 8 VAL N N 15 121.429 0.2 . 1 . . . . A 28 VAL N . 36532 1 77 . 1 . 1 9 9 SER H H 1 8.264 0.01 . 1 . . . . A 29 SER H . 36532 1 78 . 1 . 1 9 9 SER HA H 1 4.498 0.01 . 1 . . . . A 29 SER HA . 36532 1 79 . 1 . 1 9 9 SER HB2 H 1 3.817 0.01 . 2 . . . . A 29 SER HB2 . 36532 1 80 . 1 . 1 9 9 SER C C 13 172.116 0.2 . 1 . . . . A 29 SER C . 36532 1 81 . 1 . 1 9 9 SER CA C 13 57.951 0.2 . 1 . . . . A 29 SER CA . 36532 1 82 . 1 . 1 9 9 SER CB C 13 64.216 0.2 . 1 . . . . A 29 SER CB . 36532 1 83 . 1 . 1 9 9 SER N N 15 121.557 0.2 . 1 . . . . A 29 SER N . 36532 1 84 . 1 . 1 10 10 VAL H H 1 7.515 0.01 . 1 . . . . A 30 VAL H . 36532 1 85 . 1 . 1 10 10 VAL HA H 1 4.416 0.01 . 1 . . . . A 30 VAL HA . 36532 1 86 . 1 . 1 10 10 VAL HB H 1 1.884 0.01 . 1 . . . . A 30 VAL HB . 36532 1 87 . 1 . 1 10 10 VAL HG11 H 1 0.759 0.01 . 2 . . . . A 30 VAL HG11 . 36532 1 88 . 1 . 1 10 10 VAL HG12 H 1 0.759 0.01 . 2 . . . . A 30 VAL HG12 . 36532 1 89 . 1 . 1 10 10 VAL HG13 H 1 0.759 0.01 . 2 . . . . A 30 VAL HG13 . 36532 1 90 . 1 . 1 10 10 VAL HG21 H 1 0.728 0.01 . 2 . . . . A 30 VAL HG21 . 36532 1 91 . 1 . 1 10 10 VAL HG22 H 1 0.728 0.01 . 2 . . . . A 30 VAL HG22 . 36532 1 92 . 1 . 1 10 10 VAL HG23 H 1 0.728 0.01 . 2 . . . . A 30 VAL HG23 . 36532 1 93 . 1 . 1 10 10 VAL C C 13 175.633 0.2 . 1 . . . . A 30 VAL C . 36532 1 94 . 1 . 1 10 10 VAL CA C 13 59.846 0.2 . 1 . . . . A 30 VAL CA . 36532 1 95 . 1 . 1 10 10 VAL CB C 13 35.078 0.2 . 1 . . . . A 30 VAL CB . 36532 1 96 . 1 . 1 10 10 VAL CG1 C 13 20.085 0.2 . 2 . . . . A 30 VAL CG1 . 36532 1 97 . 1 . 1 10 10 VAL CG2 C 13 21.787 0.2 . 2 . . . . A 30 VAL CG2 . 36532 1 98 . 1 . 1 10 10 VAL N N 15 114.866 0.2 . 1 . . . . A 30 VAL N . 36532 1 99 . 1 . 1 11 11 GLN H H 1 8.328 0.01 . 1 . . . . A 31 GLN H . 36532 1 100 . 1 . 1 11 11 GLN HA H 1 4.269 0.01 . 1 . . . . A 31 GLN HA . 36532 1 101 . 1 . 1 11 11 GLN HB2 H 1 1.657 0.01 . 2 . . . . A 31 GLN HB2 . 36532 1 102 . 1 . 1 11 11 GLN HB3 H 1 1.894 0.01 . 2 . . . . A 31 GLN HB3 . 36532 1 103 . 1 . 1 11 11 GLN HG2 H 1 2.468 0.01 . 2 . . . . A 31 GLN HG2 . 36532 1 104 . 1 . 1 11 11 GLN HE21 H 1 6.94 0.01 . 2 . . . . A 31 GLN HE21 . 36532 1 105 . 1 . 1 11 11 GLN HE22 H 1 7.95 0.01 . 2 . . . . A 31 GLN HE22 . 36532 1 106 . 1 . 1 11 11 GLN CA C 13 53.129 0.2 . 1 . . . . A 31 GLN CA . 36532 1 107 . 1 . 1 11 11 GLN CB C 13 29.711 0.2 . 1 . . . . A 31 GLN CB . 36532 1 108 . 1 . 1 11 11 GLN CG C 13 32.673 0.2 . 1 . . . . A 31 GLN CG . 36532 1 109 . 1 . 1 11 11 GLN N N 15 126.977 0.2 . 1 . . . . A 31 GLN N . 36532 1 110 . 1 . 1 11 11 GLN NE2 N 15 114.05 0.2 . 1 . . . . A 31 GLN NE2 . 36532 1 111 . 1 . 1 12 12 PRO HA H 1 4.406 0.01 . 1 . . . . A 32 PRO HA . 36532 1 112 . 1 . 1 12 12 PRO HB2 H 1 1.944 0.01 . 2 . . . . A 32 PRO HB2 . 36532 1 113 . 1 . 1 12 12 PRO HB3 H 1 2.374 0.01 . 2 . . . . A 32 PRO HB3 . 36532 1 114 . 1 . 1 12 12 PRO HG2 H 1 2.06 0.01 . 2 . . . . A 32 PRO HG2 . 36532 1 115 . 1 . 1 12 12 PRO HG3 H 1 2.137 0.01 . 2 . . . . A 32 PRO HG3 . 36532 1 116 . 1 . 1 12 12 PRO HD2 H 1 3.719 0.01 . 2 . . . . A 32 PRO HD2 . 36532 1 117 . 1 . 1 12 12 PRO HD3 H 1 4.151 0.01 . 2 . . . . A 32 PRO HD3 . 36532 1 118 . 1 . 1 12 12 PRO C C 13 177.385 0.2 . 1 . . . . A 32 PRO C . 36532 1 119 . 1 . 1 12 12 PRO CA C 13 63.101 0.2 . 1 . . . . A 32 PRO CA . 36532 1 120 . 1 . 1 12 12 PRO CB C 13 32.443 0.2 . 1 . . . . A 32 PRO CB . 36532 1 121 . 1 . 1 12 12 PRO CG C 13 27.673 0.2 . 1 . . . . A 32 PRO CG . 36532 1 122 . 1 . 1 12 12 PRO CD C 13 51.802 0.2 . 1 . . . . A 32 PRO CD . 36532 1 123 . 1 . 1 13 13 ASN H H 1 9.128 0.01 . 1 . . . . A 33 ASN H . 36532 1 124 . 1 . 1 13 13 ASN HA H 1 4.413 0.01 . 1 . . . . A 33 ASN HA . 36532 1 125 . 1 . 1 13 13 ASN HB2 H 1 2.776 0.01 . 2 . . . . A 33 ASN HB2 . 36532 1 126 . 1 . 1 13 13 ASN HB3 H 1 3.039 0.01 . 2 . . . . A 33 ASN HB3 . 36532 1 127 . 1 . 1 13 13 ASN HD21 H 1 6.934 0.01 . 2 . . . . A 33 ASN HD21 . 36532 1 128 . 1 . 1 13 13 ASN HD22 H 1 7.641 0.01 . 2 . . . . A 33 ASN HD22 . 36532 1 129 . 1 . 1 13 13 ASN C C 13 175.124 0.2 . 1 . . . . A 33 ASN C . 36532 1 130 . 1 . 1 13 13 ASN CA C 13 53.638 0.2 . 1 . . . . A 33 ASN CA . 36532 1 131 . 1 . 1 13 13 ASN CB C 13 37.487 0.2 . 1 . . . . A 33 ASN CB . 36532 1 132 . 1 . 1 13 13 ASN N N 15 118.891 0.2 . 1 . . . . A 33 ASN N . 36532 1 133 . 1 . 1 13 13 ASN ND2 N 15 113.028 0.2 . 1 . . . . A 33 ASN ND2 . 36532 1 134 . 1 . 1 14 14 PHE H H 1 7.779 0.01 . 1 . . . . A 34 PHE H . 36532 1 135 . 1 . 1 14 14 PHE HA H 1 4.184 0.01 . 1 . . . . A 34 PHE HA . 36532 1 136 . 1 . 1 14 14 PHE HB2 H 1 2.647 0.01 . 2 . . . . A 34 PHE HB2 . 36532 1 137 . 1 . 1 14 14 PHE HB3 H 1 3.293 0.01 . 2 . . . . A 34 PHE HB3 . 36532 1 138 . 1 . 1 14 14 PHE HD2 H 1 7.024 0.01 . 3 . . . . A 34 PHE HD2 . 36532 1 139 . 1 . 1 14 14 PHE HE2 H 1 7.271 0.01 . 3 . . . . A 34 PHE HE2 . 36532 1 140 . 1 . 1 14 14 PHE C C 13 175.333 0.2 . 1 . . . . A 34 PHE C . 36532 1 141 . 1 . 1 14 14 PHE CA C 13 59.184 0.2 . 1 . . . . A 34 PHE CA . 36532 1 142 . 1 . 1 14 14 PHE CB C 13 39.451 0.2 . 1 . . . . A 34 PHE CB . 36532 1 143 . 1 . 1 14 14 PHE CD1 C 13 131.44 0.2 . 3 . . . . A 34 PHE CD1 . 36532 1 144 . 1 . 1 14 14 PHE N N 15 118.154 0.2 . 1 . . . . A 34 PHE N . 36532 1 145 . 1 . 1 15 15 GLN H H 1 7.739 0.01 . 1 . . . . A 35 GLN H . 36532 1 146 . 1 . 1 15 15 GLN HA H 1 4.297 0.01 . 1 . . . . A 35 GLN HA . 36532 1 147 . 1 . 1 15 15 GLN HB2 H 1 1.339 0.01 . 2 . . . . A 35 GLN HB2 . 36532 1 148 . 1 . 1 15 15 GLN HB3 H 1 1.768 0.01 . 2 . . . . A 35 GLN HB3 . 36532 1 149 . 1 . 1 15 15 GLN HG2 H 1 2.308 0.01 . 2 . . . . A 35 GLN HG2 . 36532 1 150 . 1 . 1 15 15 GLN HE21 H 1 6.814 0.01 . 2 . . . . A 35 GLN HE21 . 36532 1 151 . 1 . 1 15 15 GLN HE22 H 1 7.33 0.01 . 2 . . . . A 35 GLN HE22 . 36532 1 152 . 1 . 1 15 15 GLN C C 13 174.401 0.2 . 1 . . . . A 35 GLN C . 36532 1 153 . 1 . 1 15 15 GLN CA C 13 52.858 0.2 . 1 . . . . A 35 GLN CA . 36532 1 154 . 1 . 1 15 15 GLN CB C 13 29.163 0.2 . 1 . . . . A 35 GLN CB . 36532 1 155 . 1 . 1 15 15 GLN CG C 13 32.899 0.2 . 1 . . . . A 35 GLN CG . 36532 1 156 . 1 . 1 15 15 GLN N N 15 128.501 0.2 . 1 . . . . A 35 GLN N . 36532 1 157 . 1 . 1 15 15 GLN NE2 N 15 113.028 0.2 . 1 . . . . A 35 GLN NE2 . 36532 1 158 . 1 . 1 16 16 GLN H H 1 8.602 0.01 . 1 . . . . A 36 GLN H . 36532 1 159 . 1 . 1 16 16 GLN HA H 1 3.468 0.01 . 1 . . . . A 36 GLN HA . 36532 1 160 . 1 . 1 16 16 GLN HB2 H 1 2.13 0.01 . 2 . . . . A 36 GLN HB2 . 36532 1 161 . 1 . 1 16 16 GLN HG2 H 1 2.284 0.01 . 2 . . . . A 36 GLN HG2 . 36532 1 162 . 1 . 1 16 16 GLN HG3 H 1 2.511 0.01 . 2 . . . . A 36 GLN HG3 . 36532 1 163 . 1 . 1 16 16 GLN HE21 H 1 7.235 0.01 . 2 . . . . A 36 GLN HE21 . 36532 1 164 . 1 . 1 16 16 GLN HE22 H 1 7.893 0.01 . 2 . . . . A 36 GLN HE22 . 36532 1 165 . 1 . 1 16 16 GLN C C 13 177.266 0.2 . 1 . . . . A 36 GLN C . 36532 1 166 . 1 . 1 16 16 GLN CA C 13 60.247 0.2 . 1 . . . . A 36 GLN CA . 36532 1 167 . 1 . 1 16 16 GLN CB C 13 29.897 0.2 . 1 . . . . A 36 GLN CB . 36532 1 168 . 1 . 1 16 16 GLN CG C 13 35.979 0.2 . 1 . . . . A 36 GLN CG . 36532 1 169 . 1 . 1 16 16 GLN N N 15 124.68 0.2 . 1 . . . . A 36 GLN N . 36532 1 170 . 1 . 1 16 16 GLN NE2 N 15 113.351 0.2 . 1 . . . . A 36 GLN NE2 . 36532 1 171 . 1 . 1 17 17 ASP H H 1 8.655 0.01 . 1 . . . . A 37 ASP H . 36532 1 172 . 1 . 1 17 17 ASP HA H 1 4.253 0.01 . 1 . . . . A 37 ASP HA . 36532 1 173 . 1 . 1 17 17 ASP HB2 H 1 2.578 0.01 . 2 . . . . A 37 ASP HB2 . 36532 1 174 . 1 . 1 17 17 ASP HB3 H 1 2.673 0.01 . 2 . . . . A 37 ASP HB3 . 36532 1 175 . 1 . 1 17 17 ASP C C 13 178.188 0.2 . 1 . . . . A 37 ASP C . 36532 1 176 . 1 . 1 17 17 ASP CA C 13 56.378 0.2 . 1 . . . . A 37 ASP CA . 36532 1 177 . 1 . 1 17 17 ASP CB C 13 39.139 0.2 . 1 . . . . A 37 ASP CB . 36532 1 178 . 1 . 1 17 17 ASP N N 15 114.119 0.2 . 1 . . . . A 37 ASP N . 36532 1 179 . 1 . 1 18 18 LYS H H 1 6.962 0.01 . 1 . . . . A 38 LYS H . 36532 1 180 . 1 . 1 18 18 LYS HA H 1 4.133 0.01 . 1 . . . . A 38 LYS HA . 36532 1 181 . 1 . 1 18 18 LYS HB2 H 1 0.907 0.01 . 2 . . . . A 38 LYS HB2 . 36532 1 182 . 1 . 1 18 18 LYS HB3 H 1 1.406 0.01 . 2 . . . . A 38 LYS HB3 . 36532 1 183 . 1 . 1 18 18 LYS HG2 H 1 1.147 0.01 . 2 . . . . A 38 LYS HG2 . 36532 1 184 . 1 . 1 18 18 LYS HD2 H 1 1.161 0.01 . 2 . . . . A 38 LYS HD2 . 36532 1 185 . 1 . 1 18 18 LYS HE2 H 1 2.734 0.01 . 2 . . . . A 38 LYS HE2 . 36532 1 186 . 1 . 1 18 18 LYS C C 13 176.459 0.2 . 1 . . . . A 38 LYS C . 36532 1 187 . 1 . 1 18 18 LYS CA C 13 56.756 0.2 . 1 . . . . A 38 LYS CA . 36532 1 188 . 1 . 1 18 18 LYS CB C 13 32.216 0.2 . 1 . . . . A 38 LYS CB . 36532 1 189 . 1 . 1 18 18 LYS CG C 13 25.295 0.2 . 1 . . . . A 38 LYS CG . 36532 1 190 . 1 . 1 18 18 LYS CD C 13 28.666 0.2 . 1 . . . . A 38 LYS CD . 36532 1 191 . 1 . 1 18 18 LYS CE C 13 41.588 0.2 . 1 . . . . A 38 LYS CE . 36532 1 192 . 1 . 1 18 18 LYS N N 15 116.696 0.2 . 1 . . . . A 38 LYS N . 36532 1 193 . 1 . 1 19 19 PHE H H 1 7.774 0.01 . 1 . . . . A 39 PHE H . 36532 1 194 . 1 . 1 19 19 PHE HA H 1 4.814 0.01 . 1 . . . . A 39 PHE HA . 36532 1 195 . 1 . 1 19 19 PHE HB2 H 1 3.291 0.01 . 2 . . . . A 39 PHE HB2 . 36532 1 196 . 1 . 1 19 19 PHE HB3 H 1 3.429 0.01 . 2 . . . . A 39 PHE HB3 . 36532 1 197 . 1 . 1 19 19 PHE HD1 H 1 7.304 0.01 . 3 . . . . A 39 PHE HD1 . 36532 1 198 . 1 . 1 19 19 PHE HE1 H 1 6.643 0.01 . 3 . . . . A 39 PHE HE1 . 36532 1 199 . 1 . 1 19 19 PHE C C 13 172.977 0.2 . 1 . . . . A 39 PHE C . 36532 1 200 . 1 . 1 19 19 PHE CA C 13 58.169 0.2 . 1 . . . . A 39 PHE CA . 36532 1 201 . 1 . 1 19 19 PHE CB C 13 42.897 0.2 . 1 . . . . A 39 PHE CB . 36532 1 202 . 1 . 1 19 19 PHE CD1 C 13 131.939 0.2 . 3 . . . . A 39 PHE CD1 . 36532 1 203 . 1 . 1 19 19 PHE CE1 C 13 130.398 0.2 . 3 . . . . A 39 PHE CE1 . 36532 1 204 . 1 . 1 19 19 PHE N N 15 120.343 0.2 . 1 . . . . A 39 PHE N . 36532 1 205 . 1 . 1 20 20 LEU H H 1 6.744 0.01 . 1 . . . . A 40 LEU H . 36532 1 206 . 1 . 1 20 20 LEU HA H 1 3.96 0.01 . 1 . . . . A 40 LEU HA . 36532 1 207 . 1 . 1 20 20 LEU HB2 H 1 1.588 0.01 . 2 . . . . A 40 LEU HB2 . 36532 1 208 . 1 . 1 20 20 LEU HB3 H 1 1.865 0.01 . 2 . . . . A 40 LEU HB3 . 36532 1 209 . 1 . 1 20 20 LEU HG H 1 2.306 0.01 . 1 . . . . A 40 LEU HG . 36532 1 210 . 1 . 1 20 20 LEU HD11 H 1 0.719 0.01 . 2 . . . . A 40 LEU HD11 . 36532 1 211 . 1 . 1 20 20 LEU HD12 H 1 0.719 0.01 . 2 . . . . A 40 LEU HD12 . 36532 1 212 . 1 . 1 20 20 LEU HD13 H 1 0.719 0.01 . 2 . . . . A 40 LEU HD13 . 36532 1 213 . 1 . 1 20 20 LEU HD21 H 1 1.074 0.01 . 2 . . . . A 40 LEU HD21 . 36532 1 214 . 1 . 1 20 20 LEU HD22 H 1 1.074 0.01 . 2 . . . . A 40 LEU HD22 . 36532 1 215 . 1 . 1 20 20 LEU HD23 H 1 1.074 0.01 . 2 . . . . A 40 LEU HD23 . 36532 1 216 . 1 . 1 20 20 LEU C C 13 177.375 0.2 . 1 . . . . A 40 LEU C . 36532 1 217 . 1 . 1 20 20 LEU CA C 13 54.844 0.2 . 1 . . . . A 40 LEU CA . 36532 1 218 . 1 . 1 20 20 LEU CB C 13 42.652 0.2 . 1 . . . . A 40 LEU CB . 36532 1 219 . 1 . 1 20 20 LEU CG C 13 25.965 0.2 . 1 . . . . A 40 LEU CG . 36532 1 220 . 1 . 1 20 20 LEU CD1 C 13 22.518 0.2 . 2 . . . . A 40 LEU CD1 . 36532 1 221 . 1 . 1 20 20 LEU CD2 C 13 25.525 0.2 . 2 . . . . A 40 LEU CD2 . 36532 1 222 . 1 . 1 20 20 LEU N N 15 111.91 0.2 . 1 . . . . A 40 LEU N . 36532 1 223 . 1 . 1 21 21 GLY H H 1 9.034 0.01 . 1 . . . . A 41 GLY H . 36532 1 224 . 1 . 1 21 21 GLY HA2 H 1 3.712 0.01 . 2 . . . . A 41 GLY HA2 . 36532 1 225 . 1 . 1 21 21 GLY HA3 H 1 4.35 0.01 . 2 . . . . A 41 GLY HA3 . 36532 1 226 . 1 . 1 21 21 GLY C C 13 172.725 0.2 . 1 . . . . A 41 GLY C . 36532 1 227 . 1 . 1 21 21 GLY CA C 13 44.158 0.2 . 1 . . . . A 41 GLY CA . 36532 1 228 . 1 . 1 21 21 GLY N N 15 108.305 0.2 . 1 . . . . A 41 GLY N . 36532 1 229 . 1 . 1 22 22 ARG H H 1 8.594 0.01 . 1 . . . . A 42 ARG H . 36532 1 230 . 1 . 1 22 22 ARG HA H 1 4.678 0.01 . 1 . . . . A 42 ARG HA . 36532 1 231 . 1 . 1 22 22 ARG HB2 H 1 1.6 0.01 . 2 . . . . A 42 ARG HB2 . 36532 1 232 . 1 . 1 22 22 ARG HG2 H 1 0.815 0.01 . 2 . . . . A 42 ARG HG2 . 36532 1 233 . 1 . 1 22 22 ARG HG3 H 1 1.166 0.01 . 2 . . . . A 42 ARG HG3 . 36532 1 234 . 1 . 1 22 22 ARG HD3 H 1 2.992 0.01 . 2 . . . . A 42 ARG HD3 . 36532 1 235 . 1 . 1 22 22 ARG C C 13 175.642 0.2 . 1 . . . . A 42 ARG C . 36532 1 236 . 1 . 1 22 22 ARG CA C 13 56.347 0.2 . 1 . . . . A 42 ARG CA . 36532 1 237 . 1 . 1 22 22 ARG CB C 13 30.965 0.2 . 1 . . . . A 42 ARG CB . 36532 1 238 . 1 . 1 22 22 ARG CG C 13 26.45 0.2 . 1 . . . . A 42 ARG CG . 36532 1 239 . 1 . 1 22 22 ARG CD C 13 43.372 0.2 . 1 . . . . A 42 ARG CD . 36532 1 240 . 1 . 1 22 22 ARG N N 15 121.823 0.2 . 1 . . . . A 42 ARG N . 36532 1 241 . 1 . 1 23 23 TRP H H 1 9.094 0.01 . 1 . . . . A 43 TRP H . 36532 1 242 . 1 . 1 23 23 TRP HA H 1 4.563 0.01 . 1 . . . . A 43 TRP HA . 36532 1 243 . 1 . 1 23 23 TRP HB2 H 1 2.008 0.01 . 2 . . . . A 43 TRP HB2 . 36532 1 244 . 1 . 1 23 23 TRP HB3 H 1 2.395 0.01 . 2 . . . . A 43 TRP HB3 . 36532 1 245 . 1 . 1 23 23 TRP HD1 H 1 6.527 0.01 . 1 . . . . A 43 TRP HD1 . 36532 1 246 . 1 . 1 23 23 TRP HE1 H 1 9.544 0.01 . 1 . . . . A 43 TRP HE1 . 36532 1 247 . 1 . 1 23 23 TRP HE3 H 1 7.05 0.01 . 1 . . . . A 43 TRP HE3 . 36532 1 248 . 1 . 1 23 23 TRP HZ2 H 1 7.097 0.01 . 1 . . . . A 43 TRP HZ2 . 36532 1 249 . 1 . 1 23 23 TRP HZ3 H 1 6.513 0.01 . 1 . . . . A 43 TRP HZ3 . 36532 1 250 . 1 . 1 23 23 TRP HH2 H 1 6.589 0.01 . 1 . . . . A 43 TRP HH2 . 36532 1 251 . 1 . 1 23 23 TRP C C 13 173.129 0.2 . 1 . . . . A 43 TRP C . 36532 1 252 . 1 . 1 23 23 TRP CA C 13 55.377 0.2 . 1 . . . . A 43 TRP CA . 36532 1 253 . 1 . 1 23 23 TRP CB C 13 34.922 0.2 . 1 . . . . A 43 TRP CB . 36532 1 254 . 1 . 1 23 23 TRP CD1 C 13 127.614 0.2 . 1 . . . . A 43 TRP CD1 . 36532 1 255 . 1 . 1 23 23 TRP CE3 C 13 118.86 0.2 . 1 . . . . A 43 TRP CE3 . 36532 1 256 . 1 . 1 23 23 TRP CZ2 C 13 115.046 0.2 . 1 . . . . A 43 TRP CZ2 . 36532 1 257 . 1 . 1 23 23 TRP CZ3 C 13 120.081 0.2 . 1 . . . . A 43 TRP CZ3 . 36532 1 258 . 1 . 1 23 23 TRP CH2 C 13 122.682 0.2 . 1 . . . . A 43 TRP CH2 . 36532 1 259 . 1 . 1 23 23 TRP N N 15 129.415 0.2 . 1 . . . . A 43 TRP N . 36532 1 260 . 1 . 1 23 23 TRP NE1 N 15 130.157 0.2 . 1 . . . . A 43 TRP NE1 . 36532 1 261 . 1 . 1 24 24 PHE H H 1 9.54 0.01 . 1 . . . . A 44 PHE H . 36532 1 262 . 1 . 1 24 24 PHE HA H 1 5.445 0.01 . 1 . . . . A 44 PHE HA . 36532 1 263 . 1 . 1 24 24 PHE HB2 H 1 2.833 0.01 . 2 . . . . A 44 PHE HB2 . 36532 1 264 . 1 . 1 24 24 PHE HB3 H 1 3.324 0.01 . 2 . . . . A 44 PHE HB3 . 36532 1 265 . 1 . 1 24 24 PHE HD1 H 1 7.04 0.01 . 3 . . . . A 44 PHE HD1 . 36532 1 266 . 1 . 1 24 24 PHE HE1 H 1 7.34 0.01 . 3 . . . . A 44 PHE HE1 . 36532 1 267 . 1 . 1 24 24 PHE C C 13 176.973 0.2 . 1 . . . . A 44 PHE C . 36532 1 268 . 1 . 1 24 24 PHE CA C 13 56.794 0.2 . 1 . . . . A 44 PHE CA . 36532 1 269 . 1 . 1 24 24 PHE CB C 13 40.998 0.2 . 1 . . . . A 44 PHE CB . 36532 1 270 . 1 . 1 24 24 PHE CD1 C 13 132.488 0.2 . 3 . . . . A 44 PHE CD1 . 36532 1 271 . 1 . 1 24 24 PHE CE1 C 13 130.993 0.2 . 3 . . . . A 44 PHE CE1 . 36532 1 272 . 1 . 1 24 24 PHE N N 15 117.865 0.2 . 1 . . . . A 44 PHE N . 36532 1 273 . 1 . 1 25 25 SER H H 1 9.024 0.01 . 1 . . . . A 45 SER H . 36532 1 274 . 1 . 1 25 25 SER HA H 1 4.836 0.01 . 1 . . . . A 45 SER HA . 36532 1 275 . 1 . 1 25 25 SER HB2 H 1 3.847 0.01 . 2 . . . . A 45 SER HB2 . 36532 1 276 . 1 . 1 25 25 SER C C 13 173.294 0.2 . 1 . . . . A 45 SER C . 36532 1 277 . 1 . 1 25 25 SER N N 15 118.591 0.2 . 1 . . . . A 45 SER N . 36532 1 278 . 1 . 1 26 26 ALA H H 1 8.474 0.01 . 1 . . . . A 46 ALA H . 36532 1 279 . 1 . 1 26 26 ALA HA H 1 4.693 0.01 . 1 . . . . A 46 ALA HA . 36532 1 280 . 1 . 1 26 26 ALA HB1 H 1 1.481 0.01 . 1 . . . . A 46 ALA HB1 . 36532 1 281 . 1 . 1 26 26 ALA HB2 H 1 1.481 0.01 . 1 . . . . A 46 ALA HB2 . 36532 1 282 . 1 . 1 26 26 ALA HB3 H 1 1.481 0.01 . 1 . . . . A 46 ALA HB3 . 36532 1 283 . 1 . 1 26 26 ALA C C 13 175.893 0.2 . 1 . . . . A 46 ALA C . 36532 1 284 . 1 . 1 26 26 ALA CA C 13 52.608 0.2 . 1 . . . . A 46 ALA CA . 36532 1 285 . 1 . 1 26 26 ALA CB C 13 20.998 0.2 . 1 . . . . A 46 ALA CB . 36532 1 286 . 1 . 1 26 26 ALA N N 15 126.565 0.2 . 1 . . . . A 46 ALA N . 36532 1 287 . 1 . 1 27 27 GLY H H 1 7.762 0.01 . 1 . . . . A 47 GLY H . 36532 1 288 . 1 . 1 27 27 GLY HA2 H 1 2.975 0.01 . 2 . . . . A 47 GLY HA2 . 36532 1 289 . 1 . 1 27 27 GLY HA3 H 1 5.005 0.01 . 2 . . . . A 47 GLY HA3 . 36532 1 290 . 1 . 1 27 27 GLY C C 13 170.309 0.2 . 1 . . . . A 47 GLY C . 36532 1 291 . 1 . 1 27 27 GLY CA C 13 45.354 0.2 . 1 . . . . A 47 GLY CA . 36532 1 292 . 1 . 1 27 27 GLY N N 15 106.115 0.2 . 1 . . . . A 47 GLY N . 36532 1 293 . 1 . 1 28 28 LEU H H 1 9.164 0.01 . 1 . . . . A 48 LEU H . 36532 1 294 . 1 . 1 28 28 LEU HA H 1 5.365 0.01 . 1 . . . . A 48 LEU HA . 36532 1 295 . 1 . 1 28 28 LEU HB2 H 1 1.551 0.01 . 2 . . . . A 48 LEU HB2 . 36532 1 296 . 1 . 1 28 28 LEU HB3 H 1 1.6 0.01 . 2 . . . . A 48 LEU HB3 . 36532 1 297 . 1 . 1 28 28 LEU HG H 1 0.999 0.01 . 1 . . . . A 48 LEU HG . 36532 1 298 . 1 . 1 28 28 LEU HD11 H 1 0.912 0.01 . 2 . . . . A 48 LEU HD11 . 36532 1 299 . 1 . 1 28 28 LEU HD12 H 1 0.912 0.01 . 2 . . . . A 48 LEU HD12 . 36532 1 300 . 1 . 1 28 28 LEU HD13 H 1 0.912 0.01 . 2 . . . . A 48 LEU HD13 . 36532 1 301 . 1 . 1 28 28 LEU C C 13 174.068 0.2 . 1 . . . . A 48 LEU C . 36532 1 302 . 1 . 1 28 28 LEU CA C 13 54.429 0.2 . 1 . . . . A 48 LEU CA . 36532 1 303 . 1 . 1 28 28 LEU CB C 13 47.325 0.2 . 1 . . . . A 48 LEU CB . 36532 1 304 . 1 . 1 28 28 LEU CG C 13 25.822 0.2 . 1 . . . . A 48 LEU CG . 36532 1 305 . 1 . 1 28 28 LEU CD1 C 13 26.399 0.2 . 2 . . . . A 48 LEU CD1 . 36532 1 306 . 1 . 1 28 28 LEU N N 15 122.895 0.2 . 1 . . . . A 48 LEU N . 36532 1 307 . 1 . 1 29 29 ALA H H 1 8.773 0.01 . 1 . . . . A 49 ALA H . 36532 1 308 . 1 . 1 29 29 ALA HA H 1 5.359 0.01 . 1 . . . . A 49 ALA HA . 36532 1 309 . 1 . 1 29 29 ALA HB1 H 1 0.721 0.01 . 1 . . . . A 49 ALA HB1 . 36532 1 310 . 1 . 1 29 29 ALA HB2 H 1 0.721 0.01 . 1 . . . . A 49 ALA HB2 . 36532 1 311 . 1 . 1 29 29 ALA HB3 H 1 0.721 0.01 . 1 . . . . A 49 ALA HB3 . 36532 1 312 . 1 . 1 29 29 ALA C C 13 175.295 0.2 . 1 . . . . A 49 ALA C . 36532 1 313 . 1 . 1 29 29 ALA CA C 13 50.99 0.2 . 1 . . . . A 49 ALA CA . 36532 1 314 . 1 . 1 29 29 ALA CB C 13 22.869 0.2 . 1 . . . . A 49 ALA CB . 36532 1 315 . 1 . 1 29 29 ALA N N 15 121.966 0.2 . 1 . . . . A 49 ALA N . 36532 1 316 . 1 . 1 30 30 SER H H 1 7.264 0.01 . 1 . . . . A 50 SER H . 36532 1 317 . 1 . 1 30 30 SER HA H 1 4.525 0.01 . 1 . . . . A 50 SER HA . 36532 1 318 . 1 . 1 30 30 SER HB2 H 1 3.306 0.01 . 2 . . . . A 50 SER HB2 . 36532 1 319 . 1 . 1 30 30 SER HB3 H 1 3.935 0.01 . 2 . . . . A 50 SER HB3 . 36532 1 320 . 1 . 1 30 30 SER C C 13 176.093 0.2 . 1 . . . . A 50 SER C . 36532 1 321 . 1 . 1 30 30 SER CA C 13 57.065 0.2 . 1 . . . . A 50 SER CA . 36532 1 322 . 1 . 1 30 30 SER CB C 13 65.851 0.2 . 1 . . . . A 50 SER CB . 36532 1 323 . 1 . 1 30 30 SER N N 15 112.619 0.2 . 1 . . . . A 50 SER N . 36532 1 324 . 1 . 1 31 31 ASN H H 1 8.559 0.01 . 1 . . . . A 51 ASN H . 36532 1 325 . 1 . 1 31 31 ASN HA H 1 4.997 0.01 . 1 . . . . A 51 ASN HA . 36532 1 326 . 1 . 1 31 31 ASN HB2 H 1 3.006 0.01 . 2 . . . . A 51 ASN HB2 . 36532 1 327 . 1 . 1 31 31 ASN HB3 H 1 3.208 0.01 . 2 . . . . A 51 ASN HB3 . 36532 1 328 . 1 . 1 31 31 ASN HD21 H 1 7.215 0.01 . 2 . . . . A 51 ASN HD21 . 36532 1 329 . 1 . 1 31 31 ASN HD22 H 1 7.695 0.01 . 2 . . . . A 51 ASN HD22 . 36532 1 330 . 1 . 1 31 31 ASN C C 13 175.976 0.2 . 1 . . . . A 51 ASN C . 36532 1 331 . 1 . 1 31 31 ASN CA C 13 53.317 0.2 . 1 . . . . A 51 ASN CA . 36532 1 332 . 1 . 1 31 31 ASN CB C 13 38.142 0.2 . 1 . . . . A 51 ASN CB . 36532 1 333 . 1 . 1 31 31 ASN CG C 13 177.38 0.2 . 1 . . . . A 51 ASN CG . 36532 1 334 . 1 . 1 31 31 ASN N N 15 120.828 0.2 . 1 . . . . A 51 ASN N . 36532 1 335 . 1 . 1 31 31 ASN ND2 N 15 112.732 0.2 . 1 . . . . A 51 ASN ND2 . 36532 1 336 . 1 . 1 32 32 SER H H 1 8.519 0.01 . 1 . . . . A 52 SER H . 36532 1 337 . 1 . 1 32 32 SER HA H 1 4.419 0.01 . 1 . . . . A 52 SER HA . 36532 1 338 . 1 . 1 32 32 SER HB2 H 1 3.877 0.01 . 2 . . . . A 52 SER HB2 . 36532 1 339 . 1 . 1 32 32 SER CA C 13 59.374 0.2 . 1 . . . . A 52 SER CA . 36532 1 340 . 1 . 1 32 32 SER CB C 13 63.751 0.2 . 1 . . . . A 52 SER CB . 36532 1 341 . 1 . 1 32 32 SER N N 15 116.309 0.2 . 1 . . . . A 52 SER N . 36532 1 342 . 1 . 1 33 33 SER HA H 1 4.16 0.01 . 1 . . . . A 53 SER HA . 36532 1 343 . 1 . 1 33 33 SER HB2 H 1 4.019 0.01 . 2 . . . . A 53 SER HB2 . 36532 1 344 . 1 . 1 33 33 SER C C 13 175.859 0.2 . 1 . . . . A 53 SER C . 36532 1 345 . 1 . 1 33 33 SER CA C 13 61.226 0.2 . 1 . . . . A 53 SER CA . 36532 1 346 . 1 . 1 33 33 SER CB C 13 62.355 0.2 . 1 . . . . A 53 SER CB . 36532 1 347 . 1 . 1 34 34 TRP H H 1 7.776 0.01 . 1 . . . . A 54 TRP H . 36532 1 348 . 1 . 1 34 34 TRP HA H 1 4.356 0.01 . 1 . . . . A 54 TRP HA . 36532 1 349 . 1 . 1 34 34 TRP HB2 H 1 3.291 0.01 . 2 . . . . A 54 TRP HB2 . 36532 1 350 . 1 . 1 34 34 TRP HB3 H 1 3.402 0.01 . 2 . . . . A 54 TRP HB3 . 36532 1 351 . 1 . 1 34 34 TRP HD1 H 1 7.36 0.01 . 1 . . . . A 54 TRP HD1 . 36532 1 352 . 1 . 1 34 34 TRP HE1 H 1 10.157 0.01 . 1 . . . . A 54 TRP HE1 . 36532 1 353 . 1 . 1 34 34 TRP HE3 H 1 7.334 0.01 . 1 . . . . A 54 TRP HE3 . 36532 1 354 . 1 . 1 34 34 TRP HZ2 H 1 7.308 0.01 . 1 . . . . A 54 TRP HZ2 . 36532 1 355 . 1 . 1 34 34 TRP HZ3 H 1 6.86 0.01 . 1 . . . . A 54 TRP HZ3 . 36532 1 356 . 1 . 1 34 34 TRP HH2 H 1 6.953 0.01 . 1 . . . . A 54 TRP HH2 . 36532 1 357 . 1 . 1 34 34 TRP C C 13 177.059 0.2 . 1 . . . . A 54 TRP C . 36532 1 358 . 1 . 1 34 34 TRP CA C 13 59.836 0.2 . 1 . . . . A 54 TRP CA . 36532 1 359 . 1 . 1 34 34 TRP CB C 13 29.023 0.2 . 1 . . . . A 54 TRP CB . 36532 1 360 . 1 . 1 34 34 TRP CD1 C 13 127.487 0.2 . 1 . . . . A 54 TRP CD1 . 36532 1 361 . 1 . 1 34 34 TRP CE3 C 13 120.555 0.2 . 1 . . . . A 54 TRP CE3 . 36532 1 362 . 1 . 1 34 34 TRP CZ2 C 13 114.409 0.2 . 1 . . . . A 54 TRP CZ2 . 36532 1 363 . 1 . 1 34 34 TRP CZ3 C 13 121.335 0.2 . 1 . . . . A 54 TRP CZ3 . 36532 1 364 . 1 . 1 34 34 TRP CH2 C 13 124.124 0.2 . 1 . . . . A 54 TRP CH2 . 36532 1 365 . 1 . 1 34 34 TRP N N 15 121.41 0.2 . 1 . . . . A 54 TRP N . 36532 1 366 . 1 . 1 34 34 TRP NE1 N 15 129.617 0.2 . 1 . . . . A 54 TRP NE1 . 36532 1 367 . 1 . 1 35 35 LEU H H 1 7.129 0.01 . 1 . . . . A 55 LEU H . 36532 1 368 . 1 . 1 35 35 LEU HA H 1 3.805 0.01 . 1 . . . . A 55 LEU HA . 36532 1 369 . 1 . 1 35 35 LEU HB2 H 1 1.594 0.01 . 2 . . . . A 55 LEU HB2 . 36532 1 370 . 1 . 1 35 35 LEU HG H 1 1.522 0.01 . 1 . . . . A 55 LEU HG . 36532 1 371 . 1 . 1 35 35 LEU HD11 H 1 0.805 0.01 . 2 . . . . A 55 LEU HD11 . 36532 1 372 . 1 . 1 35 35 LEU HD12 H 1 0.805 0.01 . 2 . . . . A 55 LEU HD12 . 36532 1 373 . 1 . 1 35 35 LEU HD13 H 1 0.805 0.01 . 2 . . . . A 55 LEU HD13 . 36532 1 374 . 1 . 1 35 35 LEU CA C 13 56.949 0.2 . 1 . . . . A 55 LEU CA . 36532 1 375 . 1 . 1 35 35 LEU CB C 13 41.873 0.2 . 1 . . . . A 55 LEU CB . 36532 1 376 . 1 . 1 35 35 LEU CG C 13 27.664 0.2 . 1 . . . . A 55 LEU CG . 36532 1 377 . 1 . 1 35 35 LEU CD1 C 13 25.137 0.2 . 2 . . . . A 55 LEU CD1 . 36532 1 378 . 1 . 1 35 35 LEU N N 15 118.97 0.2 . 1 . . . . A 55 LEU N . 36532 1 379 . 1 . 1 36 36 ARG H H 1 7.465 0.01 . 1 . . . . A 56 ARG H . 36532 1 380 . 1 . 1 36 36 ARG HA H 1 3.996 0.01 . 1 . . . . A 56 ARG HA . 36532 1 381 . 1 . 1 36 36 ARG HB2 H 1 1.888 0.01 . 2 . . . . A 56 ARG HB2 . 36532 1 382 . 1 . 1 36 36 ARG HG2 H 1 1.6 0.01 . 2 . . . . A 56 ARG HG2 . 36532 1 383 . 1 . 1 36 36 ARG HG3 H 1 1.694 0.01 . 2 . . . . A 56 ARG HG3 . 36532 1 384 . 1 . 1 36 36 ARG HD3 H 1 3.22 0.01 . 2 . . . . A 56 ARG HD3 . 36532 1 385 . 1 . 1 36 36 ARG C C 13 178.051 0.2 . 1 . . . . A 56 ARG C . 36532 1 386 . 1 . 1 36 36 ARG CA C 13 58.699 0.2 . 1 . . . . A 56 ARG CA . 36532 1 387 . 1 . 1 36 36 ARG CB C 13 30.351 0.2 . 1 . . . . A 56 ARG CB . 36532 1 388 . 1 . 1 36 36 ARG CG C 13 27.6 0.2 . 1 . . . . A 56 ARG CG . 36532 1 389 . 1 . 1 36 36 ARG CD C 13 43.309 0.2 . 1 . . . . A 56 ARG CD . 36532 1 390 . 1 . 1 36 36 ARG N N 15 116.884 0.2 . 1 . . . . A 56 ARG N . 36532 1 391 . 1 . 1 37 37 GLU H H 1 7.919 0.01 . 1 . . . . A 57 GLU H . 36532 1 392 . 1 . 1 37 37 GLU HA H 1 4.198 0.01 . 1 . . . . A 57 GLU HA . 36532 1 393 . 1 . 1 37 37 GLU HB2 H 1 2.056 0.01 . 2 . . . . A 57 GLU HB2 . 36532 1 394 . 1 . 1 37 37 GLU HG2 H 1 2.284 0.01 . 2 . . . . A 57 GLU HG2 . 36532 1 395 . 1 . 1 37 37 GLU HG3 H 1 2.385 0.01 . 2 . . . . A 57 GLU HG3 . 36532 1 396 . 1 . 1 37 37 GLU C C 13 177.733 0.2 . 1 . . . . A 57 GLU C . 36532 1 397 . 1 . 1 37 37 GLU CA C 13 57.534 0.2 . 1 . . . . A 57 GLU CA . 36532 1 398 . 1 . 1 37 37 GLU CB C 13 29.923 0.2 . 1 . . . . A 57 GLU CB . 36532 1 399 . 1 . 1 37 37 GLU CG C 13 35.992 0.2 . 1 . . . . A 57 GLU CG . 36532 1 400 . 1 . 1 37 37 GLU N N 15 116.96 0.2 . 1 . . . . A 57 GLU N . 36532 1 401 . 1 . 1 38 38 LYS H H 1 7.836 0.01 . 1 . . . . A 58 LYS H . 36532 1 402 . 1 . 1 38 38 LYS HA H 1 4.298 0.01 . 1 . . . . A 58 LYS HA . 36532 1 403 . 1 . 1 38 38 LYS C C 13 177.389 0.2 . 1 . . . . A 58 LYS C . 36532 1 404 . 1 . 1 38 38 LYS CA C 13 56.137 0.2 . 1 . . . . A 58 LYS CA . 36532 1 405 . 1 . 1 38 38 LYS CB C 13 32.296 0.2 . 1 . . . . A 58 LYS CB . 36532 1 406 . 1 . 1 38 38 LYS N N 15 118.015 0.2 . 1 . . . . A 58 LYS N . 36532 1 407 . 1 . 1 39 39 LYS H H 1 7.783 0.01 . 1 . . . . A 59 LYS H . 36532 1 408 . 1 . 1 39 39 LYS HA H 1 3.881 0.01 . 1 . . . . A 59 LYS HA . 36532 1 409 . 1 . 1 39 39 LYS HB2 H 1 1.897 0.01 . 2 . . . . A 59 LYS HB2 . 36532 1 410 . 1 . 1 39 39 LYS HG2 H 1 1.426 0.01 . 2 . . . . A 59 LYS HG2 . 36532 1 411 . 1 . 1 39 39 LYS HD2 H 1 1.663 0.01 . 2 . . . . A 59 LYS HD2 . 36532 1 412 . 1 . 1 39 39 LYS C C 13 177.123 0.2 . 1 . . . . A 59 LYS C . 36532 1 413 . 1 . 1 39 39 LYS CA C 13 59.437 0.2 . 1 . . . . A 59 LYS CA . 36532 1 414 . 1 . 1 39 39 LYS CB C 13 32.421 0.2 . 1 . . . . A 59 LYS CB . 36532 1 415 . 1 . 1 39 39 LYS CG C 13 24.727 0.2 . 1 . . . . A 59 LYS CG . 36532 1 416 . 1 . 1 39 39 LYS CD C 13 29.48 0.2 . 1 . . . . A 59 LYS CD . 36532 1 417 . 1 . 1 39 39 LYS CE C 13 41.846 0.2 . 1 . . . . A 59 LYS CE . 36532 1 418 . 1 . 1 39 39 LYS N N 15 119.23 0.2 . 1 . . . . A 59 LYS N . 36532 1 419 . 1 . 1 40 40 ALA H H 1 8.181 0.01 . 1 . . . . A 60 ALA H . 36532 1 420 . 1 . 1 40 40 ALA HA H 1 4.269 0.01 . 1 . . . . A 60 ALA HA . 36532 1 421 . 1 . 1 40 40 ALA HB1 H 1 1.408 0.01 . 1 . . . . A 60 ALA HB1 . 36532 1 422 . 1 . 1 40 40 ALA HB2 H 1 1.408 0.01 . 1 . . . . A 60 ALA HB2 . 36532 1 423 . 1 . 1 40 40 ALA HB3 H 1 1.408 0.01 . 1 . . . . A 60 ALA HB3 . 36532 1 424 . 1 . 1 40 40 ALA C C 13 177.465 0.2 . 1 . . . . A 60 ALA C . 36532 1 425 . 1 . 1 40 40 ALA CA C 13 53.264 0.2 . 1 . . . . A 60 ALA CA . 36532 1 426 . 1 . 1 40 40 ALA CB C 13 18.687 0.2 . 1 . . . . A 60 ALA CB . 36532 1 427 . 1 . 1 40 40 ALA N N 15 119.951 0.2 . 1 . . . . A 60 ALA N . 36532 1 428 . 1 . 1 41 41 ALA H H 1 7.978 0.01 . 1 . . . . A 61 ALA H . 36532 1 429 . 1 . 1 41 41 ALA HA H 1 4.492 0.01 . 1 . . . . A 61 ALA HA . 36532 1 430 . 1 . 1 41 41 ALA HB1 H 1 1.424 0.01 . 1 . . . . A 61 ALA HB1 . 36532 1 431 . 1 . 1 41 41 ALA HB2 H 1 1.424 0.01 . 1 . . . . A 61 ALA HB2 . 36532 1 432 . 1 . 1 41 41 ALA HB3 H 1 1.424 0.01 . 1 . . . . A 61 ALA HB3 . 36532 1 433 . 1 . 1 41 41 ALA C C 13 177.422 0.2 . 1 . . . . A 61 ALA C . 36532 1 434 . 1 . 1 41 41 ALA CA C 13 51.616 0.2 . 1 . . . . A 61 ALA CA . 36532 1 435 . 1 . 1 41 41 ALA CB C 13 19.487 0.2 . 1 . . . . A 61 ALA CB . 36532 1 436 . 1 . 1 41 41 ALA N N 15 120.209 0.2 . 1 . . . . A 61 ALA N . 36532 1 437 . 1 . 1 42 42 LEU H H 1 7.468 0.01 . 1 . . . . A 62 LEU H . 36532 1 438 . 1 . 1 42 42 LEU HA H 1 4.454 0.01 . 1 . . . . A 62 LEU HA . 36532 1 439 . 1 . 1 42 42 LEU HB2 H 1 1.363 0.01 . 2 . . . . A 62 LEU HB2 . 36532 1 440 . 1 . 1 42 42 LEU HB3 H 1 1.731 0.01 . 2 . . . . A 62 LEU HB3 . 36532 1 441 . 1 . 1 42 42 LEU HG H 1 1.823 0.01 . 1 . . . . A 62 LEU HG . 36532 1 442 . 1 . 1 42 42 LEU HD11 H 1 0.808 0.01 . 2 . . . . A 62 LEU HD11 . 36532 1 443 . 1 . 1 42 42 LEU HD12 H 1 0.808 0.01 . 2 . . . . A 62 LEU HD12 . 36532 1 444 . 1 . 1 42 42 LEU HD13 H 1 0.808 0.01 . 2 . . . . A 62 LEU HD13 . 36532 1 445 . 1 . 1 42 42 LEU HD21 H 1 0.829 0.01 . 2 . . . . A 62 LEU HD21 . 36532 1 446 . 1 . 1 42 42 LEU HD22 H 1 0.829 0.01 . 2 . . . . A 62 LEU HD22 . 36532 1 447 . 1 . 1 42 42 LEU HD23 H 1 0.829 0.01 . 2 . . . . A 62 LEU HD23 . 36532 1 448 . 1 . 1 42 42 LEU C C 13 176.056 0.2 . 1 . . . . A 62 LEU C . 36532 1 449 . 1 . 1 42 42 LEU CA C 13 55.02 0.2 . 1 . . . . A 62 LEU CA . 36532 1 450 . 1 . 1 42 42 LEU CB C 13 43.303 0.2 . 1 . . . . A 62 LEU CB . 36532 1 451 . 1 . 1 42 42 LEU CG C 13 26.257 0.2 . 1 . . . . A 62 LEU CG . 36532 1 452 . 1 . 1 42 42 LEU CD1 C 13 23.354 0.2 . 2 . . . . A 62 LEU CD1 . 36532 1 453 . 1 . 1 42 42 LEU CD2 C 13 26.007 0.2 . 2 . . . . A 62 LEU CD2 . 36532 1 454 . 1 . 1 42 42 LEU N N 15 120.417 0.2 . 1 . . . . A 62 LEU N . 36532 1 455 . 1 . 1 43 43 SER H H 1 7.999 0.01 . 1 . . . . A 63 SER H . 36532 1 456 . 1 . 1 43 43 SER HA H 1 4.703 0.01 . 1 . . . . A 63 SER HA . 36532 1 457 . 1 . 1 43 43 SER HB2 H 1 3.972 0.01 . 2 . . . . A 63 SER HB2 . 36532 1 458 . 1 . 1 43 43 SER CA C 13 57.005 0.2 . 1 . . . . A 63 SER CA . 36532 1 459 . 1 . 1 43 43 SER CB C 13 65.913 0.2 . 1 . . . . A 63 SER CB . 36532 1 460 . 1 . 1 43 43 SER N N 15 115.224 0.2 . 1 . . . . A 63 SER N . 36532 1 461 . 1 . 1 44 44 MET H H 1 8.839 0.01 . 1 . . . . A 64 MET H . 36532 1 462 . 1 . 1 44 44 MET HA H 1 4.087 0.01 . 1 . . . . A 64 MET HA . 36532 1 463 . 1 . 1 44 44 MET HB2 H 1 1.999 0.01 . 2 . . . . A 64 MET HB2 . 36532 1 464 . 1 . 1 44 44 MET HB3 H 1 2.186 0.01 . 2 . . . . A 64 MET HB3 . 36532 1 465 . 1 . 1 44 44 MET HG2 H 1 2.629 0.01 . 2 . . . . A 64 MET HG2 . 36532 1 466 . 1 . 1 44 44 MET HG3 H 1 2.77 0.01 . 2 . . . . A 64 MET HG3 . 36532 1 467 . 1 . 1 44 44 MET C C 13 174.07 0.2 . 1 . . . . A 64 MET C . 36532 1 468 . 1 . 1 44 44 MET CA C 13 57.532 0.2 . 1 . . . . A 64 MET CA . 36532 1 469 . 1 . 1 44 44 MET CB C 13 33.623 0.2 . 1 . . . . A 64 MET CB . 36532 1 470 . 1 . 1 44 44 MET CG C 13 31.341 0.2 . 1 . . . . A 64 MET CG . 36532 1 471 . 1 . 1 44 44 MET N N 15 121.876 0.2 . 1 . . . . A 64 MET N . 36532 1 472 . 1 . 1 45 45 ALA H H 1 7.573 0.01 . 1 . . . . A 65 ALA H . 36532 1 473 . 1 . 1 45 45 ALA HA H 1 5.314 0.01 . 1 . . . . A 65 ALA HA . 36532 1 474 . 1 . 1 45 45 ALA HB1 H 1 1.396 0.01 . 1 . . . . A 65 ALA HB1 . 36532 1 475 . 1 . 1 45 45 ALA HB2 H 1 1.396 0.01 . 1 . . . . A 65 ALA HB2 . 36532 1 476 . 1 . 1 45 45 ALA HB3 H 1 1.396 0.01 . 1 . . . . A 65 ALA HB3 . 36532 1 477 . 1 . 1 45 45 ALA C C 13 176.558 0.2 . 1 . . . . A 65 ALA C . 36532 1 478 . 1 . 1 45 45 ALA CA C 13 50.049 0.2 . 1 . . . . A 65 ALA CA . 36532 1 479 . 1 . 1 45 45 ALA CB C 13 21.697 0.2 . 1 . . . . A 65 ALA CB . 36532 1 480 . 1 . 1 45 45 ALA N N 15 125.995 0.2 . 1 . . . . A 65 ALA N . 36532 1 481 . 1 . 1 46 46 LYS H H 1 8.683 0.01 . 1 . . . . A 66 LYS H . 36532 1 482 . 1 . 1 46 46 LYS HA H 1 4.673 0.01 . 1 . . . . A 66 LYS HA . 36532 1 483 . 1 . 1 46 46 LYS HG2 H 1 1.055 0.01 . 2 . . . . A 66 LYS HG2 . 36532 1 484 . 1 . 1 46 46 LYS C C 13 175.411 0.2 . 1 . . . . A 66 LYS C . 36532 1 485 . 1 . 1 46 46 LYS CA C 13 55.363 0.2 . 1 . . . . A 66 LYS CA . 36532 1 486 . 1 . 1 46 46 LYS CB C 13 34.093 0.2 . 1 . . . . A 66 LYS CB . 36532 1 487 . 1 . 1 46 46 LYS CG C 13 24.558 0.2 . 1 . . . . A 66 LYS CG . 36532 1 488 . 1 . 1 46 46 LYS CD C 13 29.402 0.2 . 1 . . . . A 66 LYS CD . 36532 1 489 . 1 . 1 46 46 LYS CE C 13 41.514 0.2 . 1 . . . . A 66 LYS CE . 36532 1 490 . 1 . 1 46 46 LYS N N 15 123.097 0.2 . 1 . . . . A 66 LYS N . 36532 1 491 . 1 . 1 47 47 SER H H 1 9.285 0.01 . 1 . . . . A 67 SER H . 36532 1 492 . 1 . 1 47 47 SER HA H 1 5.532 0.01 . 1 . . . . A 67 SER HA . 36532 1 493 . 1 . 1 47 47 SER HB2 H 1 3.21 0.01 . 2 . . . . A 67 SER HB2 . 36532 1 494 . 1 . 1 47 47 SER HB3 H 1 3.485 0.01 . 2 . . . . A 67 SER HB3 . 36532 1 495 . 1 . 1 47 47 SER C C 13 171.972 0.2 . 1 . . . . A 67 SER C . 36532 1 496 . 1 . 1 47 47 SER CA C 13 57.034 0.2 . 1 . . . . A 67 SER CA . 36532 1 497 . 1 . 1 47 47 SER CB C 13 65.679 0.2 . 1 . . . . A 67 SER CB . 36532 1 498 . 1 . 1 47 47 SER N N 15 123.701 0.2 . 1 . . . . A 67 SER N . 36532 1 499 . 1 . 1 48 48 VAL H H 1 9.081 0.01 . 1 . . . . A 68 VAL H . 36532 1 500 . 1 . 1 48 48 VAL HA H 1 4.478 0.01 . 1 . . . . A 68 VAL HA . 36532 1 501 . 1 . 1 48 48 VAL HB H 1 1.893 0.01 . 1 . . . . A 68 VAL HB . 36532 1 502 . 1 . 1 48 48 VAL HG11 H 1 0.799 0.01 . 2 . . . . A 68 VAL HG11 . 36532 1 503 . 1 . 1 48 48 VAL HG12 H 1 0.799 0.01 . 2 . . . . A 68 VAL HG12 . 36532 1 504 . 1 . 1 48 48 VAL HG13 H 1 0.799 0.01 . 2 . . . . A 68 VAL HG13 . 36532 1 505 . 1 . 1 48 48 VAL HG21 H 1 1.035 0.01 . 2 . . . . A 68 VAL HG21 . 36532 1 506 . 1 . 1 48 48 VAL HG22 H 1 1.035 0.01 . 2 . . . . A 68 VAL HG22 . 36532 1 507 . 1 . 1 48 48 VAL HG23 H 1 1.035 0.01 . 2 . . . . A 68 VAL HG23 . 36532 1 508 . 1 . 1 48 48 VAL C C 13 175.522 0.2 . 1 . . . . A 68 VAL C . 36532 1 509 . 1 . 1 48 48 VAL CA C 13 61.572 0.2 . 1 . . . . A 68 VAL CA . 36532 1 510 . 1 . 1 48 48 VAL CB C 13 33.774 0.2 . 1 . . . . A 68 VAL CB . 36532 1 511 . 1 . 1 48 48 VAL CG1 C 13 21.359 0.2 . 2 . . . . A 68 VAL CG1 . 36532 1 512 . 1 . 1 48 48 VAL N N 15 124.067 0.2 . 1 . . . . A 68 VAL N . 36532 1 513 . 1 . 1 49 49 VAL H H 1 9.233 0.01 . 1 . . . . A 69 VAL H . 36532 1 514 . 1 . 1 49 49 VAL HA H 1 4.714 0.01 . 1 . . . . A 69 VAL HA . 36532 1 515 . 1 . 1 49 49 VAL HB H 1 2.313 0.01 . 1 . . . . A 69 VAL HB . 36532 1 516 . 1 . 1 49 49 VAL HG11 H 1 0.889 0.01 . 2 . . . . A 69 VAL HG11 . 36532 1 517 . 1 . 1 49 49 VAL HG12 H 1 0.889 0.01 . 2 . . . . A 69 VAL HG12 . 36532 1 518 . 1 . 1 49 49 VAL HG13 H 1 0.889 0.01 . 2 . . . . A 69 VAL HG13 . 36532 1 519 . 1 . 1 49 49 VAL HG21 H 1 1.035 0.01 . 2 . . . . A 69 VAL HG21 . 36532 1 520 . 1 . 1 49 49 VAL HG22 H 1 1.035 0.01 . 2 . . . . A 69 VAL HG22 . 36532 1 521 . 1 . 1 49 49 VAL HG23 H 1 1.035 0.01 . 2 . . . . A 69 VAL HG23 . 36532 1 522 . 1 . 1 49 49 VAL C C 13 175.05 0.2 . 1 . . . . A 69 VAL C . 36532 1 523 . 1 . 1 49 49 VAL CA C 13 61.697 0.2 . 1 . . . . A 69 VAL CA . 36532 1 524 . 1 . 1 49 49 VAL CB C 13 32.732 0.2 . 1 . . . . A 69 VAL CB . 36532 1 525 . 1 . 1 49 49 VAL CG1 C 13 21.502 0.2 . 2 . . . . A 69 VAL CG1 . 36532 1 526 . 1 . 1 49 49 VAL CG2 C 13 24.414 0.2 . 2 . . . . A 69 VAL CG2 . 36532 1 527 . 1 . 1 49 49 VAL N N 15 129.563 0.2 . 1 . . . . A 69 VAL N . 36532 1 528 . 1 . 1 50 50 ALA H H 1 9.291 0.01 . 1 . . . . A 70 ALA H . 36532 1 529 . 1 . 1 50 50 ALA HA H 1 5.142 0.01 . 1 . . . . A 70 ALA HA . 36532 1 530 . 1 . 1 50 50 ALA HB1 H 1 1.48 0.01 . 1 . . . . A 70 ALA HB1 . 36532 1 531 . 1 . 1 50 50 ALA HB2 H 1 1.48 0.01 . 1 . . . . A 70 ALA HB2 . 36532 1 532 . 1 . 1 50 50 ALA HB3 H 1 1.48 0.01 . 1 . . . . A 70 ALA HB3 . 36532 1 533 . 1 . 1 50 50 ALA CA C 13 49.515 0.2 . 1 . . . . A 70 ALA CA . 36532 1 534 . 1 . 1 50 50 ALA CB C 13 21.257 0.2 . 1 . . . . A 70 ALA CB . 36532 1 535 . 1 . 1 50 50 ALA N N 15 133.811 0.2 . 1 . . . . A 70 ALA N . 36532 1 536 . 1 . 1 51 51 PRO HA H 1 4.662 0.01 . 1 . . . . A 71 PRO HA . 36532 1 537 . 1 . 1 51 51 PRO HB2 H 1 2.015 0.01 . 2 . . . . A 71 PRO HB2 . 36532 1 538 . 1 . 1 51 51 PRO HB3 H 1 2.43 0.01 . 2 . . . . A 71 PRO HB3 . 36532 1 539 . 1 . 1 51 51 PRO HG2 H 1 2.09 0.01 . 2 . . . . A 71 PRO HG2 . 36532 1 540 . 1 . 1 51 51 PRO HG3 H 1 2.248 0.01 . 2 . . . . A 71 PRO HG3 . 36532 1 541 . 1 . 1 51 51 PRO HD2 H 1 3.842 0.01 . 2 . . . . A 71 PRO HD2 . 36532 1 542 . 1 . 1 51 51 PRO C C 13 176.056 0.2 . 1 . . . . A 71 PRO C . 36532 1 543 . 1 . 1 51 51 PRO CA C 13 63.436 0.2 . 1 . . . . A 71 PRO CA . 36532 1 544 . 1 . 1 51 51 PRO CB C 13 32.273 0.2 . 1 . . . . A 71 PRO CB . 36532 1 545 . 1 . 1 51 51 PRO CG C 13 27.687 0.2 . 1 . . . . A 71 PRO CG . 36532 1 546 . 1 . 1 51 51 PRO CD C 13 50.626 0.2 . 1 . . . . A 71 PRO CD . 36532 1 547 . 1 . 1 52 52 ALA H H 1 8.052 0.01 . 1 . . . . A 72 ALA H . 36532 1 548 . 1 . 1 52 52 ALA HA H 1 4.788 0.01 . 1 . . . . A 72 ALA HA . 36532 1 549 . 1 . 1 52 52 ALA HB1 H 1 1.209 0.01 . 1 . . . . A 72 ALA HB1 . 36532 1 550 . 1 . 1 52 52 ALA HB2 H 1 1.209 0.01 . 1 . . . . A 72 ALA HB2 . 36532 1 551 . 1 . 1 52 52 ALA HB3 H 1 1.209 0.01 . 1 . . . . A 72 ALA HB3 . 36532 1 552 . 1 . 1 52 52 ALA C C 13 178.558 0.2 . 1 . . . . A 72 ALA C . 36532 1 553 . 1 . 1 52 52 ALA CA C 13 50.148 0.2 . 1 . . . . A 72 ALA CA . 36532 1 554 . 1 . 1 52 52 ALA CB C 13 21.589 0.2 . 1 . . . . A 72 ALA CB . 36532 1 555 . 1 . 1 52 52 ALA N N 15 125.088 0.2 . 1 . . . . A 72 ALA N . 36532 1 556 . 1 . 1 53 53 THR H H 1 8.347 0.01 . 1 . . . . A 73 THR H . 36532 1 557 . 1 . 1 53 53 THR HA H 1 4.103 0.01 . 1 . . . . A 73 THR HA . 36532 1 558 . 1 . 1 53 53 THR HB H 1 4.244 0.01 . 1 . . . . A 73 THR HB . 36532 1 559 . 1 . 1 53 53 THR HG21 H 1 1.31 0.01 . 1 . . . . A 73 THR HG21 . 36532 1 560 . 1 . 1 53 53 THR HG22 H 1 1.31 0.01 . 1 . . . . A 73 THR HG22 . 36532 1 561 . 1 . 1 53 53 THR HG23 H 1 1.31 0.01 . 1 . . . . A 73 THR HG23 . 36532 1 562 . 1 . 1 53 53 THR C C 13 175.241 0.2 . 1 . . . . A 73 THR C . 36532 1 563 . 1 . 1 53 53 THR CA C 13 64.228 0.2 . 1 . . . . A 73 THR CA . 36532 1 564 . 1 . 1 53 53 THR CB C 13 69.092 0.2 . 1 . . . . A 73 THR CB . 36532 1 565 . 1 . 1 53 53 THR CG2 C 13 21.997 0.2 . 1 . . . . A 73 THR CG2 . 36532 1 566 . 1 . 1 53 53 THR N N 15 114.521 0.2 . 1 . . . . A 73 THR N . 36532 1 567 . 1 . 1 54 54 ASP H H 1 8.338 0.01 . 1 . . . . A 74 ASP H . 36532 1 568 . 1 . 1 54 54 ASP HA H 1 4.665 0.01 . 1 . . . . A 74 ASP HA . 36532 1 569 . 1 . 1 54 54 ASP HB2 H 1 2.94 0.01 . 2 . . . . A 74 ASP HB2 . 36532 1 570 . 1 . 1 54 54 ASP HB3 H 1 3.052 0.01 . 2 . . . . A 74 ASP HB3 . 36532 1 571 . 1 . 1 54 54 ASP C C 13 175.885 0.2 . 1 . . . . A 74 ASP C . 36532 1 572 . 1 . 1 54 54 ASP CA C 13 53.845 0.2 . 1 . . . . A 74 ASP CA . 36532 1 573 . 1 . 1 54 54 ASP CB C 13 39.298 0.2 . 1 . . . . A 74 ASP CB . 36532 1 574 . 1 . 1 54 54 ASP N N 15 118.451 0.2 . 1 . . . . A 74 ASP N . 36532 1 575 . 1 . 1 55 55 GLY H H 1 7.92 0.01 . 1 . . . . A 75 GLY H . 36532 1 576 . 1 . 1 55 55 GLY HA2 H 1 3.916 0.01 . 2 . . . . A 75 GLY HA2 . 36532 1 577 . 1 . 1 55 55 GLY HA3 H 1 4.495 0.01 . 2 . . . . A 75 GLY HA3 . 36532 1 578 . 1 . 1 55 55 GLY C C 13 174.973 0.2 . 1 . . . . A 75 GLY C . 36532 1 579 . 1 . 1 55 55 GLY CA C 13 45.363 0.2 . 1 . . . . A 75 GLY CA . 36532 1 580 . 1 . 1 55 55 GLY N N 15 106.518 0.2 . 1 . . . . A 75 GLY N . 36532 1 581 . 1 . 1 56 56 GLY H H 1 8.191 0.01 . 1 . . . . A 76 GLY H . 36532 1 582 . 1 . 1 56 56 GLY HA2 H 1 4.328 0.01 . 2 . . . . A 76 GLY HA2 . 36532 1 583 . 1 . 1 56 56 GLY HA3 H 1 4.596 0.01 . 2 . . . . A 76 GLY HA3 . 36532 1 584 . 1 . 1 56 56 GLY C C 13 173.022 0.2 . 1 . . . . A 76 GLY C . 36532 1 585 . 1 . 1 56 56 GLY CA C 13 44.066 0.2 . 1 . . . . A 76 GLY CA . 36532 1 586 . 1 . 1 56 56 GLY N N 15 107.826 0.2 . 1 . . . . A 76 GLY N . 36532 1 587 . 1 . 1 57 57 LEU H H 1 8.82 0.01 . 1 . . . . A 77 LEU H . 36532 1 588 . 1 . 1 57 57 LEU HA H 1 5.087 0.01 . 1 . . . . A 77 LEU HA . 36532 1 589 . 1 . 1 57 57 LEU HB2 H 1 1.133 0.01 . 2 . . . . A 77 LEU HB2 . 36532 1 590 . 1 . 1 57 57 LEU HB3 H 1 1.369 0.01 . 2 . . . . A 77 LEU HB3 . 36532 1 591 . 1 . 1 57 57 LEU HG H 1 1.406 0.01 . 1 . . . . A 77 LEU HG . 36532 1 592 . 1 . 1 57 57 LEU HD11 H 1 0.779 0.01 . 2 . . . . A 77 LEU HD11 . 36532 1 593 . 1 . 1 57 57 LEU HD12 H 1 0.779 0.01 . 2 . . . . A 77 LEU HD12 . 36532 1 594 . 1 . 1 57 57 LEU HD13 H 1 0.779 0.01 . 2 . . . . A 77 LEU HD13 . 36532 1 595 . 1 . 1 57 57 LEU HD21 H 1 0.541 0.01 . 2 . . . . A 77 LEU HD21 . 36532 1 596 . 1 . 1 57 57 LEU HD22 H 1 0.541 0.01 . 2 . . . . A 77 LEU HD22 . 36532 1 597 . 1 . 1 57 57 LEU HD23 H 1 0.541 0.01 . 2 . . . . A 77 LEU HD23 . 36532 1 598 . 1 . 1 57 57 LEU C C 13 174.92 0.2 . 1 . . . . A 77 LEU C . 36532 1 599 . 1 . 1 57 57 LEU CA C 13 53.289 0.2 . 1 . . . . A 77 LEU CA . 36532 1 600 . 1 . 1 57 57 LEU CB C 13 46.757 0.2 . 1 . . . . A 77 LEU CB . 36532 1 601 . 1 . 1 57 57 LEU CG C 13 26.208 0.2 . 1 . . . . A 77 LEU CG . 36532 1 602 . 1 . 1 57 57 LEU CD1 C 13 23.637 0.2 . 2 . . . . A 77 LEU CD1 . 36532 1 603 . 1 . 1 57 57 LEU CD2 C 13 24.771 0.2 . 2 . . . . A 77 LEU CD2 . 36532 1 604 . 1 . 1 57 57 LEU N N 15 119.255 0.2 . 1 . . . . A 77 LEU N . 36532 1 605 . 1 . 1 58 58 ASN H H 1 9.405 0.01 . 1 . . . . A 78 ASN H . 36532 1 606 . 1 . 1 58 58 ASN HA H 1 5.3 0.01 . 1 . . . . A 78 ASN HA . 36532 1 607 . 1 . 1 58 58 ASN HB2 H 1 2.431 0.01 . 2 . . . . A 78 ASN HB2 . 36532 1 608 . 1 . 1 58 58 ASN HB3 H 1 2.526 0.01 . 2 . . . . A 78 ASN HB3 . 36532 1 609 . 1 . 1 58 58 ASN HD21 H 1 6.627 0.01 . 2 . . . . A 78 ASN HD21 . 36532 1 610 . 1 . 1 58 58 ASN HD22 H 1 7.188 0.01 . 2 . . . . A 78 ASN HD22 . 36532 1 611 . 1 . 1 58 58 ASN C C 13 174.042 0.2 . 1 . . . . A 78 ASN C . 36532 1 612 . 1 . 1 58 58 ASN CA C 13 52.442 0.2 . 1 . . . . A 78 ASN CA . 36532 1 613 . 1 . 1 58 58 ASN CB C 13 40.964 0.2 . 1 . . . . A 78 ASN CB . 36532 1 614 . 1 . 1 58 58 ASN CG C 13 175.438 0.2 . 1 . . . . A 78 ASN CG . 36532 1 615 . 1 . 1 58 58 ASN N N 15 120.897 0.2 . 1 . . . . A 78 ASN N . 36532 1 616 . 1 . 1 58 58 ASN ND2 N 15 110.884 0.2 . 1 . . . . A 78 ASN ND2 . 36532 1 617 . 1 . 1 59 59 LEU H H 1 9.133 0.01 . 1 . . . . A 79 LEU H . 36532 1 618 . 1 . 1 59 59 LEU HA H 1 5.139 0.01 . 1 . . . . A 79 LEU HA . 36532 1 619 . 1 . 1 59 59 LEU HB2 H 1 1.257 0.01 . 2 . . . . A 79 LEU HB2 . 36532 1 620 . 1 . 1 59 59 LEU HB3 H 1 1.808 0.01 . 2 . . . . A 79 LEU HB3 . 36532 1 621 . 1 . 1 59 59 LEU HG H 1 1.488 0.01 . 1 . . . . A 79 LEU HG . 36532 1 622 . 1 . 1 59 59 LEU HD11 H 1 0.79 0.01 . 2 . . . . A 79 LEU HD11 . 36532 1 623 . 1 . 1 59 59 LEU HD12 H 1 0.79 0.01 . 2 . . . . A 79 LEU HD12 . 36532 1 624 . 1 . 1 59 59 LEU HD13 H 1 0.79 0.01 . 2 . . . . A 79 LEU HD13 . 36532 1 625 . 1 . 1 59 59 LEU HD21 H 1 0.749 0.01 . 2 . . . . A 79 LEU HD21 . 36532 1 626 . 1 . 1 59 59 LEU HD22 H 1 0.749 0.01 . 2 . . . . A 79 LEU HD22 . 36532 1 627 . 1 . 1 59 59 LEU HD23 H 1 0.749 0.01 . 2 . . . . A 79 LEU HD23 . 36532 1 628 . 1 . 1 59 59 LEU C C 13 175.833 0.2 . 1 . . . . A 79 LEU C . 36532 1 629 . 1 . 1 59 59 LEU CA C 13 54.212 0.2 . 1 . . . . A 79 LEU CA . 36532 1 630 . 1 . 1 59 59 LEU CB C 13 45.008 0.2 . 1 . . . . A 79 LEU CB . 36532 1 631 . 1 . 1 59 59 LEU CG C 13 28.834 0.2 . 1 . . . . A 79 LEU CG . 36532 1 632 . 1 . 1 59 59 LEU CD1 C 13 25.264 0.2 . 2 . . . . A 79 LEU CD1 . 36532 1 633 . 1 . 1 59 59 LEU CD2 C 13 25.64 0.2 . 2 . . . . A 79 LEU CD2 . 36532 1 634 . 1 . 1 59 59 LEU N N 15 128.254 0.2 . 1 . . . . A 79 LEU N . 36532 1 635 . 1 . 1 60 60 THR H H 1 8.966 0.01 . 1 . . . . A 80 THR H . 36532 1 636 . 1 . 1 60 60 THR HA H 1 5.192 0.01 . 1 . . . . A 80 THR HA . 36532 1 637 . 1 . 1 60 60 THR HB H 1 3.969 0.01 . 1 . . . . A 80 THR HB . 36532 1 638 . 1 . 1 60 60 THR HG21 H 1 1.114 0.01 . 1 . . . . A 80 THR HG21 . 36532 1 639 . 1 . 1 60 60 THR HG22 H 1 1.114 0.01 . 1 . . . . A 80 THR HG22 . 36532 1 640 . 1 . 1 60 60 THR HG23 H 1 1.114 0.01 . 1 . . . . A 80 THR HG23 . 36532 1 641 . 1 . 1 60 60 THR C C 13 174.629 0.2 . 1 . . . . A 80 THR C . 36532 1 642 . 1 . 1 60 60 THR CA C 13 61.952 0.2 . 1 . . . . A 80 THR CA . 36532 1 643 . 1 . 1 60 60 THR CB C 13 69.969 0.2 . 1 . . . . A 80 THR CB . 36532 1 644 . 1 . 1 60 60 THR CG2 C 13 21.469 0.2 . 1 . . . . A 80 THR CG2 . 36532 1 645 . 1 . 1 60 60 THR N N 15 124.383 0.2 . 1 . . . . A 80 THR N . 36532 1 646 . 1 . 1 61 61 SER H H 1 9.362 0.01 . 1 . . . . A 81 SER H . 36532 1 647 . 1 . 1 61 61 SER HA H 1 5.843 0.01 . 1 . . . . A 81 SER HA . 36532 1 648 . 1 . 1 61 61 SER HB2 H 1 3.655 0.01 . 2 . . . . A 81 SER HB2 . 36532 1 649 . 1 . 1 61 61 SER HB3 H 1 3.714 0.01 . 2 . . . . A 81 SER HB3 . 36532 1 650 . 1 . 1 61 61 SER C C 13 172.63 0.2 . 1 . . . . A 81 SER C . 36532 1 651 . 1 . 1 61 61 SER CA C 13 56.999 0.2 . 1 . . . . A 81 SER CA . 36532 1 652 . 1 . 1 61 61 SER CB C 13 65.855 0.2 . 1 . . . . A 81 SER CB . 36532 1 653 . 1 . 1 61 61 SER N N 15 124.682 0.2 . 1 . . . . A 81 SER N . 36532 1 654 . 1 . 1 62 62 THR H H 1 9.09 0.01 . 1 . . . . A 82 THR H . 36532 1 655 . 1 . 1 62 62 THR HA H 1 5.597 0.01 . 1 . . . . A 82 THR HA . 36532 1 656 . 1 . 1 62 62 THR HB H 1 3.861 0.01 . 1 . . . . A 82 THR HB . 36532 1 657 . 1 . 1 62 62 THR HG21 H 1 1.211 0.01 . 1 . . . . A 82 THR HG21 . 36532 1 658 . 1 . 1 62 62 THR HG22 H 1 1.211 0.01 . 1 . . . . A 82 THR HG22 . 36532 1 659 . 1 . 1 62 62 THR HG23 H 1 1.211 0.01 . 1 . . . . A 82 THR HG23 . 36532 1 660 . 1 . 1 62 62 THR C C 13 173.232 0.2 . 1 . . . . A 82 THR C . 36532 1 661 . 1 . 1 62 62 THR CA C 13 61.165 0.2 . 1 . . . . A 82 THR CA . 36532 1 662 . 1 . 1 62 62 THR CB C 13 71.199 0.2 . 1 . . . . A 82 THR CB . 36532 1 663 . 1 . 1 62 62 THR CG2 C 13 21.696 0.2 . 1 . . . . A 82 THR CG2 . 36532 1 664 . 1 . 1 62 62 THR N N 15 121.136 0.2 . 1 . . . . A 82 THR N . 36532 1 665 . 1 . 1 63 63 PHE H H 1 8.473 0.01 . 1 . . . . A 83 PHE H . 36532 1 666 . 1 . 1 63 63 PHE HA H 1 4.934 0.01 . 1 . . . . A 83 PHE HA . 36532 1 667 . 1 . 1 63 63 PHE HB2 H 1 2.912 0.01 . 2 . . . . A 83 PHE HB2 . 36532 1 668 . 1 . 1 63 63 PHE HB3 H 1 3.141 0.01 . 2 . . . . A 83 PHE HB3 . 36532 1 669 . 1 . 1 63 63 PHE HD2 H 1 6.886 0.01 . 3 . . . . A 83 PHE HD2 . 36532 1 670 . 1 . 1 63 63 PHE HE1 H 1 7.031 0.01 . 3 . . . . A 83 PHE HE1 . 36532 1 671 . 1 . 1 63 63 PHE C C 13 172.105 0.2 . 1 . . . . A 83 PHE C . 36532 1 672 . 1 . 1 63 63 PHE CA C 13 55.185 0.2 . 1 . . . . A 83 PHE CA . 36532 1 673 . 1 . 1 63 63 PHE CB C 13 40.995 0.2 . 1 . . . . A 83 PHE CB . 36532 1 674 . 1 . 1 63 63 PHE CD1 C 13 132.845 0.2 . 3 . . . . A 83 PHE CD1 . 36532 1 675 . 1 . 1 63 63 PHE N N 15 121.328 0.2 . 1 . . . . A 83 PHE N . 36532 1 676 . 1 . 1 64 64 LEU H H 1 8.644 0.01 . 1 . . . . A 84 LEU H . 36532 1 677 . 1 . 1 64 64 LEU HA H 1 4.692 0.01 . 1 . . . . A 84 LEU HA . 36532 1 678 . 1 . 1 64 64 LEU HB2 H 1 1.351 0.01 . 2 . . . . A 84 LEU HB2 . 36532 1 679 . 1 . 1 64 64 LEU HB3 H 1 1.849 0.01 . 2 . . . . A 84 LEU HB3 . 36532 1 680 . 1 . 1 64 64 LEU HD11 H 1 0.709 0.01 . 2 . . . . A 84 LEU HD11 . 36532 1 681 . 1 . 1 64 64 LEU HD12 H 1 0.709 0.01 . 2 . . . . A 84 LEU HD12 . 36532 1 682 . 1 . 1 64 64 LEU HD13 H 1 0.709 0.01 . 2 . . . . A 84 LEU HD13 . 36532 1 683 . 1 . 1 64 64 LEU HD21 H 1 0.904 0.01 . 2 . . . . A 84 LEU HD21 . 36532 1 684 . 1 . 1 64 64 LEU HD22 H 1 0.904 0.01 . 2 . . . . A 84 LEU HD22 . 36532 1 685 . 1 . 1 64 64 LEU HD23 H 1 0.904 0.01 . 2 . . . . A 84 LEU HD23 . 36532 1 686 . 1 . 1 64 64 LEU C C 13 176.475 0.2 . 1 . . . . A 84 LEU C . 36532 1 687 . 1 . 1 64 64 LEU CA C 13 54.792 0.2 . 1 . . . . A 84 LEU CA . 36532 1 688 . 1 . 1 64 64 LEU CB C 13 43.659 0.2 . 1 . . . . A 84 LEU CB . 36532 1 689 . 1 . 1 64 64 LEU CD1 C 13 23.655 0.2 . 2 . . . . A 84 LEU CD1 . 36532 1 690 . 1 . 1 64 64 LEU CD2 C 13 26.413 0.2 . 2 . . . . A 84 LEU CD2 . 36532 1 691 . 1 . 1 64 64 LEU N N 15 122.617 0.2 . 1 . . . . A 84 LEU N . 36532 1 692 . 1 . 1 65 65 ARG H H 1 9.16 0.01 . 1 . . . . A 85 ARG H . 36532 1 693 . 1 . 1 65 65 ARG HA H 1 4.602 0.01 . 1 . . . . A 85 ARG HA . 36532 1 694 . 1 . 1 65 65 ARG HB2 H 1 1.727 0.01 . 2 . . . . A 85 ARG HB2 . 36532 1 695 . 1 . 1 65 65 ARG HB3 H 1 1.904 0.01 . 2 . . . . A 85 ARG HB3 . 36532 1 696 . 1 . 1 65 65 ARG HG2 H 1 1.53 0.01 . 2 . . . . A 85 ARG HG2 . 36532 1 697 . 1 . 1 65 65 ARG HG3 H 1 1.733 0.01 . 2 . . . . A 85 ARG HG3 . 36532 1 698 . 1 . 1 65 65 ARG HD2 H 1 3.284 0.01 . 2 . . . . A 85 ARG HD2 . 36532 1 699 . 1 . 1 65 65 ARG C C 13 175.391 0.2 . 1 . . . . A 85 ARG C . 36532 1 700 . 1 . 1 65 65 ARG CA C 13 55.944 0.2 . 1 . . . . A 85 ARG CA . 36532 1 701 . 1 . 1 65 65 ARG CB C 13 32.321 0.2 . 1 . . . . A 85 ARG CB . 36532 1 702 . 1 . 1 65 65 ARG CG C 13 27.532 0.2 . 1 . . . . A 85 ARG CG . 36532 1 703 . 1 . 1 65 65 ARG CD C 13 43.374 0.2 . 1 . . . . A 85 ARG CD . 36532 1 704 . 1 . 1 65 65 ARG N N 15 128.905 0.2 . 1 . . . . A 85 ARG N . 36532 1 705 . 1 . 1 66 66 LYS H H 1 9.351 0.01 . 1 . . . . A 86 LYS H . 36532 1 706 . 1 . 1 66 66 LYS HA H 1 3.807 0.01 . 1 . . . . A 86 LYS HA . 36532 1 707 . 1 . 1 66 66 LYS HB2 H 1 1.921 0.01 . 2 . . . . A 86 LYS HB2 . 36532 1 708 . 1 . 1 66 66 LYS HB3 H 1 2.058 0.01 . 2 . . . . A 86 LYS HB3 . 36532 1 709 . 1 . 1 66 66 LYS HG2 H 1 1.444 0.01 . 2 . . . . A 86 LYS HG2 . 36532 1 710 . 1 . 1 66 66 LYS HD2 H 1 1.724 0.01 . 2 . . . . A 86 LYS HD2 . 36532 1 711 . 1 . 1 66 66 LYS HE2 H 1 3 0.01 . 2 . . . . A 86 LYS HE2 . 36532 1 712 . 1 . 1 66 66 LYS C C 13 175.002 0.2 . 1 . . . . A 86 LYS C . 36532 1 713 . 1 . 1 66 66 LYS CA C 13 58.555 0.2 . 1 . . . . A 86 LYS CA . 36532 1 714 . 1 . 1 66 66 LYS CB C 13 30.095 0.2 . 1 . . . . A 86 LYS CB . 36532 1 715 . 1 . 1 66 66 LYS CG C 13 25.44 0.2 . 1 . . . . A 86 LYS CG . 36532 1 716 . 1 . 1 66 66 LYS CD C 13 29.205 0.2 . 1 . . . . A 86 LYS CD . 36532 1 717 . 1 . 1 66 66 LYS CE C 13 41.849 0.2 . 1 . . . . A 86 LYS CE . 36532 1 718 . 1 . 1 66 66 LYS N N 15 127.035 0.2 . 1 . . . . A 86 LYS N . 36532 1 719 . 1 . 1 67 67 ASN H H 1 8.643 0.01 . 1 . . . . A 87 ASN H . 36532 1 720 . 1 . 1 67 67 ASN HA H 1 4.502 0.01 . 1 . . . . A 87 ASN HA . 36532 1 721 . 1 . 1 67 67 ASN HB2 H 1 2.911 0.01 . 2 . . . . A 87 ASN HB2 . 36532 1 722 . 1 . 1 67 67 ASN HB3 H 1 3.043 0.01 . 2 . . . . A 87 ASN HB3 . 36532 1 723 . 1 . 1 67 67 ASN HD21 H 1 6.91 0.01 . 2 . . . . A 87 ASN HD21 . 36532 1 724 . 1 . 1 67 67 ASN HD22 H 1 7.568 0.01 . 2 . . . . A 87 ASN HD22 . 36532 1 725 . 1 . 1 67 67 ASN C C 13 173.842 0.2 . 1 . . . . A 87 ASN C . 36532 1 726 . 1 . 1 67 67 ASN CA C 13 54.025 0.2 . 1 . . . . A 87 ASN CA . 36532 1 727 . 1 . 1 67 67 ASN CB C 13 38.735 0.2 . 1 . . . . A 87 ASN CB . 36532 1 728 . 1 . 1 67 67 ASN CG C 13 178.463 0.2 . 1 . . . . A 87 ASN CG . 36532 1 729 . 1 . 1 67 67 ASN N N 15 113.813 0.2 . 1 . . . . A 87 ASN N . 36532 1 730 . 1 . 1 67 67 ASN ND2 N 15 112.588 0.2 . 1 . . . . A 87 ASN ND2 . 36532 1 731 . 1 . 1 68 68 GLN H H 1 7.938 0.01 . 1 . . . . A 88 GLN H . 36532 1 732 . 1 . 1 68 68 GLN HA H 1 4.715 0.01 . 1 . . . . A 88 GLN HA . 36532 1 733 . 1 . 1 68 68 GLN HB2 H 1 2.015 0.01 . 2 . . . . A 88 GLN HB2 . 36532 1 734 . 1 . 1 68 68 GLN HB3 H 1 2.125 0.01 . 2 . . . . A 88 GLN HB3 . 36532 1 735 . 1 . 1 68 68 GLN HG2 H 1 2.347 0.01 . 2 . . . . A 88 GLN HG2 . 36532 1 736 . 1 . 1 68 68 GLN HG3 H 1 2.391 0.01 . 2 . . . . A 88 GLN HG3 . 36532 1 737 . 1 . 1 68 68 GLN HE21 H 1 6.83 0.01 . 2 . . . . A 88 GLN HE21 . 36532 1 738 . 1 . 1 68 68 GLN HE22 H 1 7.521 0.01 . 2 . . . . A 88 GLN HE22 . 36532 1 739 . 1 . 1 68 68 GLN C C 13 174.154 0.2 . 1 . . . . A 88 GLN C . 36532 1 740 . 1 . 1 68 68 GLN CA C 13 53.989 0.2 . 1 . . . . A 88 GLN CA . 36532 1 741 . 1 . 1 68 68 GLN CB C 13 32.249 0.2 . 1 . . . . A 88 GLN CB . 36532 1 742 . 1 . 1 68 68 GLN CG C 13 33.301 0.2 . 1 . . . . A 88 GLN CG . 36532 1 743 . 1 . 1 68 68 GLN N N 15 118.299 0.2 . 1 . . . . A 88 GLN N . 36532 1 744 . 1 . 1 68 68 GLN NE2 N 15 111.963 0.2 . 1 . . . . A 88 GLN NE2 . 36532 1 745 . 1 . 1 69 69 CYS H H 1 8.805 0.01 . 1 . . . . A 89 CYS H . 36532 1 746 . 1 . 1 69 69 CYS HA H 1 5.086 0.01 . 1 . . . . A 89 CYS HA . 36532 1 747 . 1 . 1 69 69 CYS HB2 H 1 2.731 0.01 . 2 . . . . A 89 CYS HB2 . 36532 1 748 . 1 . 1 69 69 CYS C C 13 174.272 0.2 . 1 . . . . A 89 CYS C . 36532 1 749 . 1 . 1 69 69 CYS CA C 13 54.038 0.2 . 1 . . . . A 89 CYS CA . 36532 1 750 . 1 . 1 69 69 CYS CB C 13 38.113 0.2 . 1 . . . . A 89 CYS CB . 36532 1 751 . 1 . 1 69 69 CYS N N 15 120.9 0.2 . 1 . . . . A 89 CYS N . 36532 1 752 . 1 . 1 70 70 GLU H H 1 9.042 0.01 . 1 . . . . A 90 GLU H . 36532 1 753 . 1 . 1 70 70 GLU HA H 1 4.469 0.01 . 1 . . . . A 90 GLU HA . 36532 1 754 . 1 . 1 70 70 GLU HB2 H 1 1.338 0.01 . 2 . . . . A 90 GLU HB2 . 36532 1 755 . 1 . 1 70 70 GLU HB3 H 1 1.481 0.01 . 2 . . . . A 90 GLU HB3 . 36532 1 756 . 1 . 1 70 70 GLU HG2 H 1 1.99 0.01 . 2 . . . . A 90 GLU HG2 . 36532 1 757 . 1 . 1 70 70 GLU HG3 H 1 2.112 0.01 . 2 . . . . A 90 GLU HG3 . 36532 1 758 . 1 . 1 70 70 GLU C C 13 173.968 0.2 . 1 . . . . A 90 GLU C . 36532 1 759 . 1 . 1 70 70 GLU CA C 13 55.024 0.2 . 1 . . . . A 90 GLU CA . 36532 1 760 . 1 . 1 70 70 GLU CB C 13 32.59 0.2 . 1 . . . . A 90 GLU CB . 36532 1 761 . 1 . 1 70 70 GLU CG C 13 36.149 0.2 . 1 . . . . A 90 GLU CG . 36532 1 762 . 1 . 1 70 70 GLU N N 15 127.465 0.2 . 1 . . . . A 90 GLU N . 36532 1 763 . 1 . 1 71 71 THR H H 1 8.226 0.01 . 1 . . . . A 91 THR H . 36532 1 764 . 1 . 1 71 71 THR HA H 1 5.502 0.01 . 1 . . . . A 91 THR HA . 36532 1 765 . 1 . 1 71 71 THR HB H 1 3.78 0.01 . 1 . . . . A 91 THR HB . 36532 1 766 . 1 . 1 71 71 THR HG21 H 1 1.052 0.01 . 1 . . . . A 91 THR HG21 . 36532 1 767 . 1 . 1 71 71 THR HG22 H 1 1.052 0.01 . 1 . . . . A 91 THR HG22 . 36532 1 768 . 1 . 1 71 71 THR HG23 H 1 1.052 0.01 . 1 . . . . A 91 THR HG23 . 36532 1 769 . 1 . 1 71 71 THR C C 13 174.581 0.2 . 1 . . . . A 91 THR C . 36532 1 770 . 1 . 1 71 71 THR CA C 13 60.696 0.2 . 1 . . . . A 91 THR CA . 36532 1 771 . 1 . 1 71 71 THR CB C 13 71.326 0.2 . 1 . . . . A 91 THR CB . 36532 1 772 . 1 . 1 71 71 THR CG2 C 13 21.724 0.2 . 1 . . . . A 91 THR CG2 . 36532 1 773 . 1 . 1 71 71 THR N N 15 116.967 0.2 . 1 . . . . A 91 THR N . 36532 1 774 . 1 . 1 72 72 ARG H H 1 9.136 0.01 . 1 . . . . A 92 ARG H . 36532 1 775 . 1 . 1 72 72 ARG HA H 1 4.852 0.01 . 1 . . . . A 92 ARG HA . 36532 1 776 . 1 . 1 72 72 ARG HB2 H 1 1.829 0.01 . 2 . . . . A 92 ARG HB2 . 36532 1 777 . 1 . 1 72 72 ARG HB3 H 1 1.897 0.01 . 2 . . . . A 92 ARG HB3 . 36532 1 778 . 1 . 1 72 72 ARG HG2 H 1 1.653 0.01 . 2 . . . . A 92 ARG HG2 . 36532 1 779 . 1 . 1 72 72 ARG HG3 H 1 1.732 0.01 . 2 . . . . A 92 ARG HG3 . 36532 1 780 . 1 . 1 72 72 ARG HD2 H 1 3.175 0.01 . 2 . . . . A 92 ARG HD2 . 36532 1 781 . 1 . 1 72 72 ARG HD3 H 1 3.342 0.01 . 2 . . . . A 92 ARG HD3 . 36532 1 782 . 1 . 1 72 72 ARG C C 13 174.834 0.2 . 1 . . . . A 92 ARG C . 36532 1 783 . 1 . 1 72 72 ARG CA C 13 54.202 0.2 . 1 . . . . A 92 ARG CA . 36532 1 784 . 1 . 1 72 72 ARG CB C 13 34.314 0.2 . 1 . . . . A 92 ARG CB . 36532 1 785 . 1 . 1 72 72 ARG CG C 13 27.158 0.2 . 1 . . . . A 92 ARG CG . 36532 1 786 . 1 . 1 72 72 ARG CD C 13 43.26 0.2 . 1 . . . . A 92 ARG CD . 36532 1 787 . 1 . 1 72 72 ARG N N 15 125.23 0.2 . 1 . . . . A 92 ARG N . 36532 1 788 . 1 . 1 73 73 THR H H 1 8.865 0.01 . 1 . . . . A 93 THR H . 36532 1 789 . 1 . 1 73 73 THR HA H 1 5.332 0.01 . 1 . . . . A 93 THR HA . 36532 1 790 . 1 . 1 73 73 THR HB H 1 3.946 0.01 . 1 . . . . A 93 THR HB . 36532 1 791 . 1 . 1 73 73 THR HG21 H 1 1.14 0.01 . 1 . . . . A 93 THR HG21 . 36532 1 792 . 1 . 1 73 73 THR HG22 H 1 1.14 0.01 . 1 . . . . A 93 THR HG22 . 36532 1 793 . 1 . 1 73 73 THR HG23 H 1 1.14 0.01 . 1 . . . . A 93 THR HG23 . 36532 1 794 . 1 . 1 73 73 THR C C 13 173.669 0.2 . 1 . . . . A 93 THR C . 36532 1 795 . 1 . 1 73 73 THR CA C 13 61.449 0.2 . 1 . . . . A 93 THR CA . 36532 1 796 . 1 . 1 73 73 THR CB C 13 70.577 0.2 . 1 . . . . A 93 THR CB . 36532 1 797 . 1 . 1 73 73 THR CG2 C 13 21.621 0.2 . 1 . . . . A 93 THR CG2 . 36532 1 798 . 1 . 1 73 73 THR N N 15 120.047 0.2 . 1 . . . . A 93 THR N . 36532 1 799 . 1 . 1 74 74 MET H H 1 9.106 0.01 . 1 . . . . A 94 MET H . 36532 1 800 . 1 . 1 74 74 MET HA H 1 4.633 0.01 . 1 . . . . A 94 MET HA . 36532 1 801 . 1 . 1 74 74 MET HB2 H 1 1.647 0.01 . 2 . . . . A 94 MET HB2 . 36532 1 802 . 1 . 1 74 74 MET HB3 H 1 1.729 0.01 . 2 . . . . A 94 MET HB3 . 36532 1 803 . 1 . 1 74 74 MET HG2 H 1 2.086 0.01 . 2 . . . . A 94 MET HG2 . 36532 1 804 . 1 . 1 74 74 MET CA C 13 54.867 0.2 . 1 . . . . A 94 MET CA . 36532 1 805 . 1 . 1 74 74 MET CB C 13 37.031 0.2 . 1 . . . . A 94 MET CB . 36532 1 806 . 1 . 1 74 74 MET CG C 13 31.436 0.2 . 1 . . . . A 94 MET CG . 36532 1 807 . 1 . 1 74 74 MET N N 15 125.679 0.2 . 1 . . . . A 94 MET N . 36532 1 808 . 1 . 1 75 75 LEU HA H 1 5.002 0.01 . 1 . . . . A 95 LEU HA . 36532 1 809 . 1 . 1 75 75 LEU HB2 H 1 1.598 0.01 . 2 . . . . A 95 LEU HB2 . 36532 1 810 . 1 . 1 75 75 LEU HB3 H 1 1.896 0.01 . 2 . . . . A 95 LEU HB3 . 36532 1 811 . 1 . 1 75 75 LEU HD11 H 1 0.907 0.01 . 2 . . . . A 95 LEU HD11 . 36532 1 812 . 1 . 1 75 75 LEU HD12 H 1 0.907 0.01 . 2 . . . . A 95 LEU HD12 . 36532 1 813 . 1 . 1 75 75 LEU HD13 H 1 0.907 0.01 . 2 . . . . A 95 LEU HD13 . 36532 1 814 . 1 . 1 75 75 LEU HD21 H 1 0.957 0.01 . 2 . . . . A 95 LEU HD21 . 36532 1 815 . 1 . 1 75 75 LEU HD22 H 1 0.957 0.01 . 2 . . . . A 95 LEU HD22 . 36532 1 816 . 1 . 1 75 75 LEU HD23 H 1 0.957 0.01 . 2 . . . . A 95 LEU HD23 . 36532 1 817 . 1 . 1 75 75 LEU C C 13 175.151 0.2 . 1 . . . . A 95 LEU C . 36532 1 818 . 1 . 1 75 75 LEU CA C 13 54.443 0.2 . 1 . . . . A 95 LEU CA . 36532 1 819 . 1 . 1 75 75 LEU CB C 13 42.487 0.2 . 1 . . . . A 95 LEU CB . 36532 1 820 . 1 . 1 75 75 LEU CG C 13 27.972 0.2 . 1 . . . . A 95 LEU CG . 36532 1 821 . 1 . 1 75 75 LEU CD1 C 13 23.16 0.2 . 2 . . . . A 95 LEU CD1 . 36532 1 822 . 1 . 1 75 75 LEU CD2 C 13 25.488 0.2 . 2 . . . . A 95 LEU CD2 . 36532 1 823 . 1 . 1 76 76 LEU H H 1 9.499 0.01 . 1 . . . . A 96 LEU H . 36532 1 824 . 1 . 1 76 76 LEU HA H 1 4.976 0.01 . 1 . . . . A 96 LEU HA . 36532 1 825 . 1 . 1 76 76 LEU HB2 H 1 1.62 0.01 . 2 . . . . A 96 LEU HB2 . 36532 1 826 . 1 . 1 76 76 LEU HG H 1 1.482 0.01 . 1 . . . . A 96 LEU HG . 36532 1 827 . 1 . 1 76 76 LEU HD11 H 1 0.609 0.01 . 2 . . . . A 96 LEU HD11 . 36532 1 828 . 1 . 1 76 76 LEU HD12 H 1 0.609 0.01 . 2 . . . . A 96 LEU HD12 . 36532 1 829 . 1 . 1 76 76 LEU HD13 H 1 0.609 0.01 . 2 . . . . A 96 LEU HD13 . 36532 1 830 . 1 . 1 76 76 LEU HD21 H 1 0.513 0.01 . 2 . . . . A 96 LEU HD21 . 36532 1 831 . 1 . 1 76 76 LEU HD22 H 1 0.513 0.01 . 2 . . . . A 96 LEU HD22 . 36532 1 832 . 1 . 1 76 76 LEU HD23 H 1 0.513 0.01 . 2 . . . . A 96 LEU HD23 . 36532 1 833 . 1 . 1 76 76 LEU C C 13 175.744 0.2 . 1 . . . . A 96 LEU C . 36532 1 834 . 1 . 1 76 76 LEU CA C 13 53.254 0.2 . 1 . . . . A 96 LEU CA . 36532 1 835 . 1 . 1 76 76 LEU CB C 13 41.68 0.2 . 1 . . . . A 96 LEU CB . 36532 1 836 . 1 . 1 76 76 LEU CG C 13 27.805 0.2 . 1 . . . . A 96 LEU CG . 36532 1 837 . 1 . 1 76 76 LEU CD1 C 13 24.107 0.2 . 2 . . . . A 96 LEU CD1 . 36532 1 838 . 1 . 1 76 76 LEU CD2 C 13 24.878 0.2 . 2 . . . . A 96 LEU CD2 . 36532 1 839 . 1 . 1 76 76 LEU N N 15 128.989 0.2 . 1 . . . . A 96 LEU N . 36532 1 840 . 1 . 1 77 77 GLN H H 1 9.11 0.01 . 1 . . . . A 97 GLN H . 36532 1 841 . 1 . 1 77 77 GLN HA H 1 5.035 0.01 . 1 . . . . A 97 GLN HA . 36532 1 842 . 1 . 1 77 77 GLN HB2 H 1 2.098 0.01 . 2 . . . . A 97 GLN HB2 . 36532 1 843 . 1 . 1 77 77 GLN HB3 H 1 2.233 0.01 . 2 . . . . A 97 GLN HB3 . 36532 1 844 . 1 . 1 77 77 GLN HG2 H 1 2.506 0.01 . 2 . . . . A 97 GLN HG2 . 36532 1 845 . 1 . 1 77 77 GLN HE21 H 1 6.866 0.01 . 2 . . . . A 97 GLN HE21 . 36532 1 846 . 1 . 1 77 77 GLN HE22 H 1 7.656 0.01 . 2 . . . . A 97 GLN HE22 . 36532 1 847 . 1 . 1 77 77 GLN CA C 13 53.5 0.2 . 1 . . . . A 97 GLN CA . 36532 1 848 . 1 . 1 77 77 GLN CB C 13 29.925 0.2 . 1 . . . . A 97 GLN CB . 36532 1 849 . 1 . 1 77 77 GLN CG C 13 34.45 0.2 . 1 . . . . A 97 GLN CG . 36532 1 850 . 1 . 1 77 77 GLN N N 15 123.645 0.2 . 1 . . . . A 97 GLN N . 36532 1 851 . 1 . 1 77 77 GLN NE2 N 15 111.991 0.2 . 1 . . . . A 97 GLN NE2 . 36532 1 852 . 1 . 1 78 78 PRO HA H 1 4.323 0.01 . 1 . . . . A 98 PRO HA . 36532 1 853 . 1 . 1 78 78 PRO HB2 H 1 2.035 0.01 . 2 . . . . A 98 PRO HB2 . 36532 1 854 . 1 . 1 78 78 PRO HB3 H 1 2.466 0.01 . 2 . . . . A 98 PRO HB3 . 36532 1 855 . 1 . 1 78 78 PRO HG2 H 1 2.051 0.01 . 2 . . . . A 98 PRO HG2 . 36532 1 856 . 1 . 1 78 78 PRO HG3 H 1 2.27 0.01 . 2 . . . . A 98 PRO HG3 . 36532 1 857 . 1 . 1 78 78 PRO HD2 H 1 3.833 0.01 . 2 . . . . A 98 PRO HD2 . 36532 1 858 . 1 . 1 78 78 PRO C C 13 177.058 0.2 . 1 . . . . A 98 PRO C . 36532 1 859 . 1 . 1 78 78 PRO CA C 13 64.391 0.2 . 1 . . . . A 98 PRO CA . 36532 1 860 . 1 . 1 78 78 PRO CB C 13 32.34 0.2 . 1 . . . . A 98 PRO CB . 36532 1 861 . 1 . 1 78 78 PRO CG C 13 28.232 0.2 . 1 . . . . A 98 PRO CG . 36532 1 862 . 1 . 1 78 78 PRO CD C 13 50.706 0.2 . 1 . . . . A 98 PRO CD . 36532 1 863 . 1 . 1 79 79 ALA H H 1 8.082 0.01 . 1 . . . . A 99 ALA H . 36532 1 864 . 1 . 1 79 79 ALA HA H 1 4.662 0.01 . 1 . . . . A 99 ALA HA . 36532 1 865 . 1 . 1 79 79 ALA HB1 H 1 1.193 0.01 . 1 . . . . A 99 ALA HB1 . 36532 1 866 . 1 . 1 79 79 ALA HB2 H 1 1.193 0.01 . 1 . . . . A 99 ALA HB2 . 36532 1 867 . 1 . 1 79 79 ALA HB3 H 1 1.193 0.01 . 1 . . . . A 99 ALA HB3 . 36532 1 868 . 1 . 1 79 79 ALA C C 13 176.724 0.2 . 1 . . . . A 99 ALA C . 36532 1 869 . 1 . 1 79 79 ALA CA C 13 50.95 0.2 . 1 . . . . A 99 ALA CA . 36532 1 870 . 1 . 1 79 79 ALA CB C 13 19.098 0.2 . 1 . . . . A 99 ALA CB . 36532 1 871 . 1 . 1 79 79 ALA N N 15 127.395 0.2 . 1 . . . . A 99 ALA N . 36532 1 872 . 1 . 1 80 80 GLY H H 1 8.138 0.01 . 1 . . . . A 100 GLY H . 36532 1 873 . 1 . 1 80 80 GLY HA2 H 1 3.665 0.01 . 2 . . . . A 100 GLY HA2 . 36532 1 874 . 1 . 1 80 80 GLY HA3 H 1 4.13 0.01 . 2 . . . . A 100 GLY HA3 . 36532 1 875 . 1 . 1 80 80 GLY C C 13 173.982 0.2 . 1 . . . . A 100 GLY C . 36532 1 876 . 1 . 1 80 80 GLY CA C 13 46.12 0.2 . 1 . . . . A 100 GLY CA . 36532 1 877 . 1 . 1 80 80 GLY N N 15 108.886 0.2 . 1 . . . . A 100 GLY N . 36532 1 878 . 1 . 1 81 81 SER H H 1 7.662 0.01 . 1 . . . . A 101 SER H . 36532 1 879 . 1 . 1 81 81 SER HA H 1 4.505 0.01 . 1 . . . . A 101 SER HA . 36532 1 880 . 1 . 1 81 81 SER HB2 H 1 3.594 0.01 . 2 . . . . A 101 SER HB2 . 36532 1 881 . 1 . 1 81 81 SER HB3 H 1 3.802 0.01 . 2 . . . . A 101 SER HB3 . 36532 1 882 . 1 . 1 81 81 SER C C 13 173.353 0.2 . 1 . . . . A 101 SER C . 36532 1 883 . 1 . 1 81 81 SER CA C 13 57.54 0.2 . 1 . . . . A 101 SER CA . 36532 1 884 . 1 . 1 81 81 SER CB C 13 64.598 0.2 . 1 . . . . A 101 SER CB . 36532 1 885 . 1 . 1 81 81 SER N N 15 117.053 0.2 . 1 . . . . A 101 SER N . 36532 1 886 . 1 . 1 82 82 LEU H H 1 8.581 0.01 . 1 . . . . A 102 LEU H . 36532 1 887 . 1 . 1 82 82 LEU HA H 1 4.273 0.01 . 1 . . . . A 102 LEU HA . 36532 1 888 . 1 . 1 82 82 LEU HB2 H 1 1.721 0.01 . 2 . . . . A 102 LEU HB2 . 36532 1 889 . 1 . 1 82 82 LEU HB3 H 1 1.877 0.01 . 2 . . . . A 102 LEU HB3 . 36532 1 890 . 1 . 1 82 82 LEU HG H 1 1.886 0.01 . 1 . . . . A 102 LEU HG . 36532 1 891 . 1 . 1 82 82 LEU HD11 H 1 1.123 0.01 . 2 . . . . A 102 LEU HD11 . 36532 1 892 . 1 . 1 82 82 LEU HD12 H 1 1.123 0.01 . 2 . . . . A 102 LEU HD12 . 36532 1 893 . 1 . 1 82 82 LEU HD13 H 1 1.123 0.01 . 2 . . . . A 102 LEU HD13 . 36532 1 894 . 1 . 1 82 82 LEU HD21 H 1 1.153 0.01 . 2 . . . . A 102 LEU HD21 . 36532 1 895 . 1 . 1 82 82 LEU HD22 H 1 1.153 0.01 . 2 . . . . A 102 LEU HD22 . 36532 1 896 . 1 . 1 82 82 LEU HD23 H 1 1.153 0.01 . 2 . . . . A 102 LEU HD23 . 36532 1 897 . 1 . 1 82 82 LEU C C 13 177.152 0.2 . 1 . . . . A 102 LEU C . 36532 1 898 . 1 . 1 82 82 LEU CA C 13 56.475 0.2 . 1 . . . . A 102 LEU CA . 36532 1 899 . 1 . 1 82 82 LEU CB C 13 41.588 0.2 . 1 . . . . A 102 LEU CB . 36532 1 900 . 1 . 1 82 82 LEU CG C 13 27.501 0.2 . 1 . . . . A 102 LEU CG . 36532 1 901 . 1 . 1 82 82 LEU CD1 C 13 24.043 0.2 . 2 . . . . A 102 LEU CD1 . 36532 1 902 . 1 . 1 82 82 LEU CD2 C 13 24.824 0.2 . 2 . . . . A 102 LEU CD2 . 36532 1 903 . 1 . 1 82 82 LEU N N 15 125.285 0.2 . 1 . . . . A 102 LEU N . 36532 1 904 . 1 . 1 83 83 GLY H H 1 8.222 0.01 . 1 . . . . A 103 GLY H . 36532 1 905 . 1 . 1 83 83 GLY HA2 H 1 2.4 0.01 . 2 . . . . A 103 GLY HA2 . 36532 1 906 . 1 . 1 83 83 GLY HA3 H 1 3.67 0.01 . 2 . . . . A 103 GLY HA3 . 36532 1 907 . 1 . 1 83 83 GLY C C 13 171.396 0.2 . 1 . . . . A 103 GLY C . 36532 1 908 . 1 . 1 83 83 GLY CA C 13 44.515 0.2 . 1 . . . . A 103 GLY CA . 36532 1 909 . 1 . 1 83 83 GLY N N 15 111.644 0.2 . 1 . . . . A 103 GLY N . 36532 1 910 . 1 . 1 84 84 SER H H 1 7.631 0.01 . 1 . . . . A 104 SER H . 36532 1 911 . 1 . 1 84 84 SER HA H 1 5.142 0.01 . 1 . . . . A 104 SER HA . 36532 1 912 . 1 . 1 84 84 SER HB2 H 1 3.581 0.01 . 2 . . . . A 104 SER HB2 . 36532 1 913 . 1 . 1 84 84 SER HB3 H 1 3.742 0.01 . 2 . . . . A 104 SER HB3 . 36532 1 914 . 1 . 1 84 84 SER C C 13 173.739 0.2 . 1 . . . . A 104 SER C . 36532 1 915 . 1 . 1 84 84 SER CA C 13 56.571 0.2 . 1 . . . . A 104 SER CA . 36532 1 916 . 1 . 1 84 84 SER CB C 13 65.023 0.2 . 1 . . . . A 104 SER CB . 36532 1 917 . 1 . 1 84 84 SER N N 15 114.282 0.2 . 1 . . . . A 104 SER N . 36532 1 918 . 1 . 1 85 85 TYR H H 1 9.299 0.01 . 1 . . . . A 105 TYR H . 36532 1 919 . 1 . 1 85 85 TYR HA H 1 5.449 0.01 . 1 . . . . A 105 TYR HA . 36532 1 920 . 1 . 1 85 85 TYR HB2 H 1 2.545 0.01 . 2 . . . . A 105 TYR HB2 . 36532 1 921 . 1 . 1 85 85 TYR HB3 H 1 2.991 0.01 . 2 . . . . A 105 TYR HB3 . 36532 1 922 . 1 . 1 85 85 TYR HD1 H 1 6.652 0.01 . 3 . . . . A 105 TYR HD1 . 36532 1 923 . 1 . 1 85 85 TYR HE1 H 1 6.446 0.01 . 3 . . . . A 105 TYR HE1 . 36532 1 924 . 1 . 1 85 85 TYR C C 13 175.554 0.2 . 1 . . . . A 105 TYR C . 36532 1 925 . 1 . 1 85 85 TYR CA C 13 57.117 0.2 . 1 . . . . A 105 TYR CA . 36532 1 926 . 1 . 1 85 85 TYR CB C 13 44.746 0.2 . 1 . . . . A 105 TYR CB . 36532 1 927 . 1 . 1 85 85 TYR CD1 C 13 133.231 0.2 . 3 . . . . A 105 TYR CD1 . 36532 1 928 . 1 . 1 85 85 TYR CE1 C 13 117.26 0.2 . 3 . . . . A 105 TYR CE1 . 36532 1 929 . 1 . 1 85 85 TYR N N 15 122.62 0.2 . 1 . . . . A 105 TYR N . 36532 1 930 . 1 . 1 86 86 SER H H 1 9.89 0.01 . 1 . . . . A 106 SER H . 36532 1 931 . 1 . 1 86 86 SER HA H 1 5.554 0.01 . 1 . . . . A 106 SER HA . 36532 1 932 . 1 . 1 86 86 SER HB2 H 1 3.747 0.01 . 2 . . . . A 106 SER HB2 . 36532 1 933 . 1 . 1 86 86 SER CA C 13 57.123 0.2 . 1 . . . . A 106 SER CA . 36532 1 934 . 1 . 1 86 86 SER CB C 13 66.011 0.2 . 1 . . . . A 106 SER CB . 36532 1 935 . 1 . 1 86 86 SER N N 15 117.211 0.2 . 1 . . . . A 106 SER N . 36532 1 936 . 1 . 1 87 87 TYR HA H 1 5.36 0.01 . 1 . . . . A 107 TYR HA . 36532 1 937 . 1 . 1 87 87 TYR HB2 H 1 2.637 0.01 . 2 . . . . A 107 TYR HB2 . 36532 1 938 . 1 . 1 87 87 TYR HB3 H 1 3.002 0.01 . 2 . . . . A 107 TYR HB3 . 36532 1 939 . 1 . 1 87 87 TYR HD1 H 1 7.043 0.01 . 3 . . . . A 107 TYR HD1 . 36532 1 940 . 1 . 1 87 87 TYR HE1 H 1 6.712 0.01 . 3 . . . . A 107 TYR HE1 . 36532 1 941 . 1 . 1 87 87 TYR CA C 13 56.019 0.2 . 1 . . . . A 107 TYR CA . 36532 1 942 . 1 . 1 87 87 TYR CB C 13 41.497 0.2 . 1 . . . . A 107 TYR CB . 36532 1 943 . 1 . 1 87 87 TYR CD1 C 13 133.448 0.2 . 3 . . . . A 107 TYR CD1 . 36532 1 944 . 1 . 1 87 87 TYR CE1 C 13 117.557 0.2 . 3 . . . . A 107 TYR CE1 . 36532 1 945 . 1 . 1 88 88 ARG HA H 1 4.599 0.01 . 1 . . . . A 108 ARG HA . 36532 1 946 . 1 . 1 88 88 ARG HB2 H 1 1.577 0.01 . 2 . . . . A 108 ARG HB2 . 36532 1 947 . 1 . 1 88 88 ARG HB3 H 1 1.643 0.01 . 2 . . . . A 108 ARG HB3 . 36532 1 948 . 1 . 1 88 88 ARG HG2 H 1 1.436 0.01 . 2 . . . . A 108 ARG HG2 . 36532 1 949 . 1 . 1 88 88 ARG HD2 H 1 3.075 0.01 . 2 . . . . A 108 ARG HD2 . 36532 1 950 . 1 . 1 88 88 ARG CA C 13 54.173 0.2 . 1 . . . . A 108 ARG CA . 36532 1 951 . 1 . 1 88 88 ARG CB C 13 31.395 0.2 . 1 . . . . A 108 ARG CB . 36532 1 952 . 1 . 1 88 88 ARG CG C 13 27.157 0.2 . 1 . . . . A 108 ARG CG . 36532 1 953 . 1 . 1 88 88 ARG CD C 13 43.274 0.2 . 1 . . . . A 108 ARG CD . 36532 1 954 . 1 . 1 89 89 SER H H 1 8.228 0.01 . 1 . . . . A 109 SER H . 36532 1 955 . 1 . 1 89 89 SER HA H 1 4.569 0.01 . 1 . . . . A 109 SER HA . 36532 1 956 . 1 . 1 89 89 SER HB2 H 1 3.881 0.01 . 2 . . . . A 109 SER HB2 . 36532 1 957 . 1 . 1 89 89 SER HB3 H 1 3.957 0.01 . 2 . . . . A 109 SER HB3 . 36532 1 958 . 1 . 1 89 89 SER CA C 13 55.621 0.2 . 1 . . . . A 109 SER CA . 36532 1 959 . 1 . 1 89 89 SER CB C 13 63.76 0.2 . 1 . . . . A 109 SER CB . 36532 1 960 . 1 . 1 89 89 SER N N 15 120.205 0.2 . 1 . . . . A 109 SER N . 36532 1 961 . 1 . 1 90 90 PRO HA H 1 4.35 0.01 . 1 . . . . A 110 PRO HA . 36532 1 962 . 1 . 1 90 90 PRO HB2 H 1 1.762 0.01 . 2 . . . . A 110 PRO HB2 . 36532 1 963 . 1 . 1 90 90 PRO HD2 H 1 3.861 0.01 . 2 . . . . A 110 PRO HD2 . 36532 1 964 . 1 . 1 90 90 PRO HD3 H 1 4.043 0.01 . 2 . . . . A 110 PRO HD3 . 36532 1 965 . 1 . 1 90 90 PRO C C 13 177.245 0.2 . 1 . . . . A 110 PRO C . 36532 1 966 . 1 . 1 90 90 PRO CA C 13 64.043 0.2 . 1 . . . . A 110 PRO CA . 36532 1 967 . 1 . 1 90 90 PRO CB C 13 32.185 0.2 . 1 . . . . A 110 PRO CB . 36532 1 968 . 1 . 1 90 90 PRO CG C 13 27.476 0.2 . 1 . . . . A 110 PRO CG . 36532 1 969 . 1 . 1 90 90 PRO CD C 13 51.132 0.2 . 1 . . . . A 110 PRO CD . 36532 1 970 . 1 . 1 91 91 HIS H H 1 8.218 0.01 . 1 . . . . A 111 HIS H . 36532 1 971 . 1 . 1 91 91 HIS HA H 1 4.376 0.01 . 1 . . . . A 111 HIS HA . 36532 1 972 . 1 . 1 91 91 HIS HB2 H 1 2.96 0.01 . 2 . . . . A 111 HIS HB2 . 36532 1 973 . 1 . 1 91 91 HIS HD2 H 1 6.637 0.01 . 1 . . . . A 111 HIS HD2 . 36532 1 974 . 1 . 1 91 91 HIS HE1 H 1 8.42 0.01 . 1 . . . . A 111 HIS HE1 . 36532 1 975 . 1 . 1 91 91 HIS C C 13 174.723 0.2 . 1 . . . . A 111 HIS C . 36532 1 976 . 1 . 1 91 91 HIS CA C 13 56.309 0.2 . 1 . . . . A 111 HIS CA . 36532 1 977 . 1 . 1 91 91 HIS CB C 13 28.42 0.2 . 1 . . . . A 111 HIS CB . 36532 1 978 . 1 . 1 91 91 HIS CD2 C 13 119.268 0.2 . 1 . . . . A 111 HIS CD2 . 36532 1 979 . 1 . 1 91 91 HIS CE1 C 13 136.473 0.2 . 4 1 . . . A 111 HIS CE1 . 36532 1 980 . 1 . 1 91 91 HIS N N 15 115.318 0.2 . 1 . . . . A 111 HIS N . 36532 1 981 . 1 . 1 92 92 TRP H H 1 8.047 0.01 . 1 . . . . A 112 TRP H . 36532 1 982 . 1 . 1 92 92 TRP HA H 1 4.65 0.01 . 1 . . . . A 112 TRP HA . 36532 1 983 . 1 . 1 92 92 TRP HB2 H 1 3.271 0.01 . 2 . . . . A 112 TRP HB2 . 36532 1 984 . 1 . 1 92 92 TRP HB3 H 1 3.471 0.01 . 2 . . . . A 112 TRP HB3 . 36532 1 985 . 1 . 1 92 92 TRP HD1 H 1 7.269 0.01 . 1 . . . . A 112 TRP HD1 . 36532 1 986 . 1 . 1 92 92 TRP HE1 H 1 10.12 0.01 . 1 . . . . A 112 TRP HE1 . 36532 1 987 . 1 . 1 92 92 TRP HE3 H 1 7.651 0.01 . 1 . . . . A 112 TRP HE3 . 36532 1 988 . 1 . 1 92 92 TRP HZ2 H 1 7.454 0.01 . 1 . . . . A 112 TRP HZ2 . 36532 1 989 . 1 . 1 92 92 TRP HZ3 H 1 7.119 0.01 . 1 . . . . A 112 TRP HZ3 . 36532 1 990 . 1 . 1 92 92 TRP HH2 H 1 7.197 0.01 . 1 . . . . A 112 TRP HH2 . 36532 1 991 . 1 . 1 92 92 TRP C C 13 176.724 0.2 . 1 . . . . A 112 TRP C . 36532 1 992 . 1 . 1 92 92 TRP CA C 13 57.467 0.2 . 1 . . . . A 112 TRP CA . 36532 1 993 . 1 . 1 92 92 TRP CB C 13 29.623 0.2 . 1 . . . . A 112 TRP CB . 36532 1 994 . 1 . 1 92 92 TRP CD1 C 13 126.916 0.2 . 1 . . . . A 112 TRP CD1 . 36532 1 995 . 1 . 1 92 92 TRP CE3 C 13 121.012 0.2 . 1 . . . . A 112 TRP CE3 . 36532 1 996 . 1 . 1 92 92 TRP CZ2 C 13 114.54 0.2 . 1 . . . . A 112 TRP CZ2 . 36532 1 997 . 1 . 1 92 92 TRP CZ3 C 13 122.056 0.2 . 1 . . . . A 112 TRP CZ3 . 36532 1 998 . 1 . 1 92 92 TRP CH2 C 13 124.731 0.2 . 1 . . . . A 112 TRP CH2 . 36532 1 999 . 1 . 1 92 92 TRP N N 15 118.309 0.2 . 1 . . . . A 112 TRP N . 36532 1 1000 . 1 . 1 92 92 TRP NE1 N 15 128.794 0.2 . 1 . . . . A 112 TRP NE1 . 36532 1 1001 . 1 . 1 93 93 GLY H H 1 8.014 0.01 . 1 . . . . A 113 GLY H . 36532 1 1002 . 1 . 1 93 93 GLY HA2 H 1 3.873 0.01 . 2 . . . . A 113 GLY HA2 . 36532 1 1003 . 1 . 1 93 93 GLY HA3 H 1 3.97 0.01 . 2 . . . . A 113 GLY HA3 . 36532 1 1004 . 1 . 1 93 93 GLY C C 13 173.994 0.2 . 1 . . . . A 113 GLY C . 36532 1 1005 . 1 . 1 93 93 GLY CA C 13 45.943 0.2 . 1 . . . . A 113 GLY CA . 36532 1 1006 . 1 . 1 93 93 GLY N N 15 108.712 0.2 . 1 . . . . A 113 GLY N . 36532 1 1007 . 1 . 1 94 94 SER H H 1 7.564 0.01 . 1 . . . . A 114 SER H . 36532 1 1008 . 1 . 1 94 94 SER HA H 1 4.628 0.01 . 1 . . . . A 114 SER HA . 36532 1 1009 . 1 . 1 94 94 SER HB2 H 1 3.806 0.01 . 2 . . . . A 114 SER HB2 . 36532 1 1010 . 1 . 1 94 94 SER CA C 13 57.777 0.2 . 1 . . . . A 114 SER CA . 36532 1 1011 . 1 . 1 94 94 SER CB C 13 64.489 0.2 . 1 . . . . A 114 SER CB . 36532 1 1012 . 1 . 1 94 94 SER N N 15 114.199 0.2 . 1 . . . . A 114 SER N . 36532 1 1013 . 1 . 1 95 95 THR HA H 1 5.004 0.01 . 1 . . . . A 115 THR HA . 36532 1 1014 . 1 . 1 95 95 THR HB H 1 4.028 0.01 . 1 . . . . A 115 THR HB . 36532 1 1015 . 1 . 1 95 95 THR HG21 H 1 1.146 0.01 . 1 . . . . A 115 THR HG21 . 36532 1 1016 . 1 . 1 95 95 THR HG22 H 1 1.146 0.01 . 1 . . . . A 115 THR HG22 . 36532 1 1017 . 1 . 1 95 95 THR HG23 H 1 1.146 0.01 . 1 . . . . A 115 THR HG23 . 36532 1 1018 . 1 . 1 95 95 THR CA C 13 61.416 0.2 . 1 . . . . A 115 THR CA . 36532 1 1019 . 1 . 1 95 95 THR CB C 13 70.636 0.2 . 1 . . . . A 115 THR CB . 36532 1 1020 . 1 . 1 95 95 THR CG2 C 13 21.707 0.2 . 1 . . . . A 115 THR CG2 . 36532 1 1021 . 1 . 1 96 96 TYR HA H 1 5.125 0.01 . 1 . . . . A 116 TYR HA . 36532 1 1022 . 1 . 1 96 96 TYR HD1 H 1 6.9 0.01 . 3 . . . . A 116 TYR HD1 . 36532 1 1023 . 1 . 1 96 96 TYR HE1 H 1 6.512 0.01 . 3 . . . . A 116 TYR HE1 . 36532 1 1024 . 1 . 1 96 96 TYR CA C 13 56.454 0.2 . 1 . . . . A 116 TYR CA . 36532 1 1025 . 1 . 1 96 96 TYR CB C 13 41.072 0.2 . 1 . . . . A 116 TYR CB . 36532 1 1026 . 1 . 1 96 96 TYR CD1 C 13 132.954 0.2 . 3 . . . . A 116 TYR CD1 . 36532 1 1027 . 1 . 1 96 96 TYR CE1 C 13 117.832 0.2 . 3 . . . . A 116 TYR CE1 . 36532 1 1028 . 1 . 1 97 97 SER HA H 1 5.29 0.01 . 1 . . . . A 117 SER HA . 36532 1 1029 . 1 . 1 97 97 SER HB2 H 1 3.973 0.01 . 2 . . . . A 117 SER HB2 . 36532 1 1030 . 1 . 1 97 97 SER C C 13 174.049 0.2 . 1 . . . . A 117 SER C . 36532 1 1031 . 1 . 1 97 97 SER CA C 13 57.037 0.2 . 1 . . . . A 117 SER CA . 36532 1 1032 . 1 . 1 97 97 SER CB C 13 64.965 0.2 . 1 . . . . A 117 SER CB . 36532 1 1033 . 1 . 1 98 98 VAL H H 1 8.881 0.01 . 1 . . . . A 118 VAL H . 36532 1 1034 . 1 . 1 98 98 VAL HA H 1 4.895 0.01 . 1 . . . . A 118 VAL HA . 36532 1 1035 . 1 . 1 98 98 VAL HB H 1 1.923 0.01 . 1 . . . . A 118 VAL HB . 36532 1 1036 . 1 . 1 98 98 VAL HG21 H 1 0.888 0.01 . 2 . . . . A 118 VAL HG21 . 36532 1 1037 . 1 . 1 98 98 VAL HG22 H 1 0.888 0.01 . 2 . . . . A 118 VAL HG22 . 36532 1 1038 . 1 . 1 98 98 VAL HG23 H 1 0.888 0.01 . 2 . . . . A 118 VAL HG23 . 36532 1 1039 . 1 . 1 98 98 VAL C C 13 173.953 0.2 . 1 . . . . A 118 VAL C . 36532 1 1040 . 1 . 1 98 98 VAL CA C 13 61.386 0.2 . 1 . . . . A 118 VAL CA . 36532 1 1041 . 1 . 1 98 98 VAL CB C 13 35.496 0.2 . 1 . . . . A 118 VAL CB . 36532 1 1042 . 1 . 1 98 98 VAL CG1 C 13 21.447 0.2 . 2 . . . . A 118 VAL CG1 . 36532 1 1043 . 1 . 1 98 98 VAL N N 15 124.29 0.2 . 1 . . . . A 118 VAL N . 36532 1 1044 . 1 . 1 99 99 SER H H 1 9.054 0.01 . 1 . . . . A 119 SER H . 36532 1 1045 . 1 . 1 99 99 SER HA H 1 5.45 0.01 . 1 . . . . A 119 SER HA . 36532 1 1046 . 1 . 1 99 99 SER HB2 H 1 3.672 0.01 . 2 . . . . A 119 SER HB2 . 36532 1 1047 . 1 . 1 99 99 SER C C 13 173.353 0.2 . 1 . . . . A 119 SER C . 36532 1 1048 . 1 . 1 99 99 SER CA C 13 57.037 0.2 . 1 . . . . A 119 SER CA . 36532 1 1049 . 1 . 1 99 99 SER CB C 13 65.95 0.2 . 1 . . . . A 119 SER CB . 36532 1 1050 . 1 . 1 99 99 SER N N 15 121.315 0.2 . 1 . . . . A 119 SER N . 36532 1 1051 . 1 . 1 100 100 VAL H H 1 8.549 0.01 . 1 . . . . A 120 VAL H . 36532 1 1052 . 1 . 1 100 100 VAL HA H 1 3.855 0.01 . 1 . . . . A 120 VAL HA . 36532 1 1053 . 1 . 1 100 100 VAL HB H 1 1.46 0.01 . 1 . . . . A 120 VAL HB . 36532 1 1054 . 1 . 1 100 100 VAL HG11 H 1 0.111 0.01 . 2 . . . . A 120 VAL HG11 . 36532 1 1055 . 1 . 1 100 100 VAL HG12 H 1 0.111 0.01 . 2 . . . . A 120 VAL HG12 . 36532 1 1056 . 1 . 1 100 100 VAL HG13 H 1 0.111 0.01 . 2 . . . . A 120 VAL HG13 . 36532 1 1057 . 1 . 1 100 100 VAL HG21 H 1 0.348 0.01 . 2 . . . . A 120 VAL HG21 . 36532 1 1058 . 1 . 1 100 100 VAL HG22 H 1 0.348 0.01 . 2 . . . . A 120 VAL HG22 . 36532 1 1059 . 1 . 1 100 100 VAL HG23 H 1 0.348 0.01 . 2 . . . . A 120 VAL HG23 . 36532 1 1060 . 1 . 1 100 100 VAL C C 13 173.927 0.2 . 1 . . . . A 120 VAL C . 36532 1 1061 . 1 . 1 100 100 VAL CA C 13 62.08 0.2 . 1 . . . . A 120 VAL CA . 36532 1 1062 . 1 . 1 100 100 VAL CB C 13 29.317 0.2 . 1 . . . . A 120 VAL CB . 36532 1 1063 . 1 . 1 100 100 VAL CG1 C 13 18.995 0.2 . 2 . . . . A 120 VAL CG1 . 36532 1 1064 . 1 . 1 100 100 VAL CG2 C 13 21.253 0.2 . 2 . . . . A 120 VAL CG2 . 36532 1 1065 . 1 . 1 100 100 VAL N N 15 125.344 0.2 . 1 . . . . A 120 VAL N . 36532 1 1066 . 1 . 1 101 101 VAL H H 1 8.243 0.01 . 1 . . . . A 121 VAL H . 36532 1 1067 . 1 . 1 101 101 VAL HA H 1 3.851 0.01 . 1 . . . . A 121 VAL HA . 36532 1 1068 . 1 . 1 101 101 VAL HB H 1 1.608 0.01 . 1 . . . . A 121 VAL HB . 36532 1 1069 . 1 . 1 101 101 VAL HG11 H 1 0.892 0.01 . 2 . . . . A 121 VAL HG11 . 36532 1 1070 . 1 . 1 101 101 VAL HG12 H 1 0.892 0.01 . 2 . . . . A 121 VAL HG12 . 36532 1 1071 . 1 . 1 101 101 VAL HG13 H 1 0.892 0.01 . 2 . . . . A 121 VAL HG13 . 36532 1 1072 . 1 . 1 101 101 VAL HG21 H 1 0.987 0.01 . 2 . . . . A 121 VAL HG21 . 36532 1 1073 . 1 . 1 101 101 VAL HG22 H 1 0.987 0.01 . 2 . . . . A 121 VAL HG22 . 36532 1 1074 . 1 . 1 101 101 VAL HG23 H 1 0.987 0.01 . 2 . . . . A 121 VAL HG23 . 36532 1 1075 . 1 . 1 101 101 VAL C C 13 175.586 0.2 . 1 . . . . A 121 VAL C . 36532 1 1076 . 1 . 1 101 101 VAL CA C 13 64.741 0.2 . 1 . . . . A 121 VAL CA . 36532 1 1077 . 1 . 1 101 101 VAL CB C 13 32.633 0.2 . 1 . . . . A 121 VAL CB . 36532 1 1078 . 1 . 1 101 101 VAL CG1 C 13 20.966 0.2 . 2 . . . . A 121 VAL CG1 . 36532 1 1079 . 1 . 1 101 101 VAL CG2 C 13 22.491 0.2 . 2 . . . . A 121 VAL CG2 . 36532 1 1080 . 1 . 1 101 101 VAL N N 15 128.891 0.2 . 1 . . . . A 121 VAL N . 36532 1 1081 . 1 . 1 102 102 GLU H H 1 7.019 0.01 . 1 . . . . A 122 GLU H . 36532 1 1082 . 1 . 1 102 102 GLU HA H 1 4.987 0.01 . 1 . . . . A 122 GLU HA . 36532 1 1083 . 1 . 1 102 102 GLU HB2 H 1 1.8 0.01 . 2 . . . . A 122 GLU HB2 . 36532 1 1084 . 1 . 1 102 102 GLU HB3 H 1 2.074 0.01 . 2 . . . . A 122 GLU HB3 . 36532 1 1085 . 1 . 1 102 102 GLU HG2 H 1 2.113 0.01 . 2 . . . . A 122 GLU HG2 . 36532 1 1086 . 1 . 1 102 102 GLU HG3 H 1 2.464 0.01 . 2 . . . . A 122 GLU HG3 . 36532 1 1087 . 1 . 1 102 102 GLU C C 13 174.663 0.2 . 1 . . . . A 122 GLU C . 36532 1 1088 . 1 . 1 102 102 GLU CA C 13 54.787 0.2 . 1 . . . . A 122 GLU CA . 36532 1 1089 . 1 . 1 102 102 GLU CB C 13 34.142 0.2 . 1 . . . . A 122 GLU CB . 36532 1 1090 . 1 . 1 102 102 GLU CG C 13 36.145 0.2 . 1 . . . . A 122 GLU CG . 36532 1 1091 . 1 . 1 102 102 GLU N N 15 113.444 0.2 . 1 . . . . A 122 GLU N . 36532 1 1092 . 1 . 1 103 103 THR H H 1 8.584 0.01 . 1 . . . . A 123 THR H . 36532 1 1093 . 1 . 1 103 103 THR HA H 1 4.168 0.01 . 1 . . . . A 123 THR HA . 36532 1 1094 . 1 . 1 103 103 THR HB H 1 4.015 0.01 . 1 . . . . A 123 THR HB . 36532 1 1095 . 1 . 1 103 103 THR HG21 H 1 0.417 0.01 . 1 . . . . A 123 THR HG21 . 36532 1 1096 . 1 . 1 103 103 THR HG22 H 1 0.417 0.01 . 1 . . . . A 123 THR HG22 . 36532 1 1097 . 1 . 1 103 103 THR HG23 H 1 0.417 0.01 . 1 . . . . A 123 THR HG23 . 36532 1 1098 . 1 . 1 103 103 THR C C 13 169.455 0.2 . 1 . . . . A 123 THR C . 36532 1 1099 . 1 . 1 103 103 THR CA C 13 59.825 0.2 . 1 . . . . A 123 THR CA . 36532 1 1100 . 1 . 1 103 103 THR CB C 13 69.152 0.2 . 1 . . . . A 123 THR CB . 36532 1 1101 . 1 . 1 103 103 THR CG2 C 13 17.96 0.2 . 1 . . . . A 123 THR CG2 . 36532 1 1102 . 1 . 1 103 103 THR N N 15 119.457 0.2 . 1 . . . . A 123 THR N . 36532 1 1103 . 1 . 1 104 104 ASP H H 1 7.062 0.01 . 1 . . . . A 124 ASP H . 36532 1 1104 . 1 . 1 104 104 ASP HA H 1 4.706 0.01 . 1 . . . . A 124 ASP HA . 36532 1 1105 . 1 . 1 104 104 ASP HB2 H 1 2.595 0.01 . 2 . . . . A 124 ASP HB2 . 36532 1 1106 . 1 . 1 104 104 ASP HB3 H 1 3.345 0.01 . 2 . . . . A 124 ASP HB3 . 36532 1 1107 . 1 . 1 104 104 ASP C C 13 179.3 0.2 . 1 . . . . A 124 ASP C . 36532 1 1108 . 1 . 1 104 104 ASP CA C 13 52.585 0.2 . 1 . . . . A 124 ASP CA . 36532 1 1109 . 1 . 1 104 104 ASP CB C 13 42.247 0.2 . 1 . . . . A 124 ASP CB . 36532 1 1110 . 1 . 1 104 104 ASP N N 15 123.978 0.2 . 1 . . . . A 124 ASP N . 36532 1 1111 . 1 . 1 105 105 TYR H H 1 8.934 0.01 . 1 . . . . A 125 TYR H . 36532 1 1112 . 1 . 1 105 105 TYR HA H 1 3.901 0.01 . 1 . . . . A 125 TYR HA . 36532 1 1113 . 1 . 1 105 105 TYR HB2 H 1 3.111 0.01 . 2 . . . . A 125 TYR HB2 . 36532 1 1114 . 1 . 1 105 105 TYR HB3 H 1 3.648 0.01 . 2 . . . . A 125 TYR HB3 . 36532 1 1115 . 1 . 1 105 105 TYR HD1 H 1 6.882 0.01 . 3 . . . . A 125 TYR HD1 . 36532 1 1116 . 1 . 1 105 105 TYR HE1 H 1 6.715 0.01 . 3 . . . . A 125 TYR HE1 . 36532 1 1117 . 1 . 1 105 105 TYR C C 13 176.543 0.2 . 1 . . . . A 125 TYR C . 36532 1 1118 . 1 . 1 105 105 TYR CA C 13 65.764 0.2 . 1 . . . . A 125 TYR CA . 36532 1 1119 . 1 . 1 105 105 TYR CB C 13 36.772 0.2 . 1 . . . . A 125 TYR CB . 36532 1 1120 . 1 . 1 105 105 TYR CD1 C 13 132.824 0.2 . 3 . . . . A 125 TYR CD1 . 36532 1 1121 . 1 . 1 105 105 TYR CE1 C 13 117.73 0.2 . 3 . . . . A 125 TYR CE1 . 36532 1 1122 . 1 . 1 105 105 TYR N N 15 116.533 0.2 . 1 . . . . A 125 TYR N . 36532 1 1123 . 1 . 1 106 106 ASP H H 1 9.451 0.01 . 1 . . . . A 126 ASP H . 36532 1 1124 . 1 . 1 106 106 ASP HA H 1 4.675 0.01 . 1 . . . . A 126 ASP HA . 36532 1 1125 . 1 . 1 106 106 ASP HB2 H 1 2.822 0.01 . 2 . . . . A 126 ASP HB2 . 36532 1 1126 . 1 . 1 106 106 ASP C C 13 176.544 0.2 . 1 . . . . A 126 ASP C . 36532 1 1127 . 1 . 1 106 106 ASP CA C 13 54.321 0.2 . 1 . . . . A 126 ASP CA . 36532 1 1128 . 1 . 1 106 106 ASP CB C 13 41.56 0.2 . 1 . . . . A 126 ASP CB . 36532 1 1129 . 1 . 1 106 106 ASP N N 15 120.348 0.2 . 1 . . . . A 126 ASP N . 36532 1 1130 . 1 . 1 107 107 GLN H H 1 9.144 0.01 . 1 . . . . A 127 GLN H . 36532 1 1131 . 1 . 1 107 107 GLN HA H 1 4.837 0.01 . 1 . . . . A 127 GLN HA . 36532 1 1132 . 1 . 1 107 107 GLN HB2 H 1 2.703 0.01 . 2 . . . . A 127 GLN HB2 . 36532 1 1133 . 1 . 1 107 107 GLN HB3 H 1 3.151 0.01 . 2 . . . . A 127 GLN HB3 . 36532 1 1134 . 1 . 1 107 107 GLN HG2 H 1 2.361 0.01 . 2 . . . . A 127 GLN HG2 . 36532 1 1135 . 1 . 1 107 107 GLN HG3 H 1 2.629 0.01 . 2 . . . . A 127 GLN HG3 . 36532 1 1136 . 1 . 1 107 107 GLN HE21 H 1 6.988 0.01 . 2 . . . . A 127 GLN HE21 . 36532 1 1137 . 1 . 1 107 107 GLN HE22 H 1 7.946 0.01 . 2 . . . . A 127 GLN HE22 . 36532 1 1138 . 1 . 1 107 107 GLN C C 13 176.452 0.2 . 1 . . . . A 127 GLN C . 36532 1 1139 . 1 . 1 107 107 GLN CA C 13 58.957 0.2 . 1 . . . . A 127 GLN CA . 36532 1 1140 . 1 . 1 107 107 GLN CB C 13 32.504 0.2 . 1 . . . . A 127 GLN CB . 36532 1 1141 . 1 . 1 107 107 GLN CG C 13 34.783 0.2 . 1 . . . . A 127 GLN CG . 36532 1 1142 . 1 . 1 107 107 GLN N N 15 118.488 0.2 . 1 . . . . A 127 GLN N . 36532 1 1143 . 1 . 1 107 107 GLN NE2 N 15 111.417 0.2 . 1 . . . . A 127 GLN NE2 . 36532 1 1144 . 1 . 1 108 108 TYR H H 1 10.108 0.01 . 1 . . . . A 128 TYR H . 36532 1 1145 . 1 . 1 108 108 TYR HA H 1 6.444 0.01 . 1 . . . . A 128 TYR HA . 36532 1 1146 . 1 . 1 108 108 TYR HB2 H 1 3.101 0.01 . 2 . . . . A 128 TYR HB2 . 36532 1 1147 . 1 . 1 108 108 TYR HB3 H 1 3.217 0.01 . 2 . . . . A 128 TYR HB3 . 36532 1 1148 . 1 . 1 108 108 TYR HD1 H 1 6.938 0.01 . 3 . . . . A 128 TYR HD1 . 36532 1 1149 . 1 . 1 108 108 TYR HE1 H 1 6.634 0.01 . 3 . . . . A 128 TYR HE1 . 36532 1 1150 . 1 . 1 108 108 TYR C C 13 174.108 0.2 . 1 . . . . A 128 TYR C . 36532 1 1151 . 1 . 1 108 108 TYR CA C 13 56.976 0.2 . 1 . . . . A 128 TYR CA . 36532 1 1152 . 1 . 1 108 108 TYR CB C 13 44.288 0.2 . 1 . . . . A 128 TYR CB . 36532 1 1153 . 1 . 1 108 108 TYR CD1 C 13 133.606 0.2 . 3 . . . . A 128 TYR CD1 . 36532 1 1154 . 1 . 1 108 108 TYR CE1 C 13 117.364 0.2 . 3 . . . . A 128 TYR CE1 . 36532 1 1155 . 1 . 1 108 108 TYR N N 15 120.709 0.2 . 1 . . . . A 128 TYR N . 36532 1 1156 . 1 . 1 109 109 ALA H H 1 9.43 0.01 . 1 . . . . A 129 ALA H . 36532 1 1157 . 1 . 1 109 109 ALA HA H 1 4.729 0.01 . 1 . . . . A 129 ALA HA . 36532 1 1158 . 1 . 1 109 109 ALA HB1 H 1 0.965 0.01 . 1 . . . . A 129 ALA HB1 . 36532 1 1159 . 1 . 1 109 109 ALA HB2 H 1 0.965 0.01 . 1 . . . . A 129 ALA HB2 . 36532 1 1160 . 1 . 1 109 109 ALA HB3 H 1 0.965 0.01 . 1 . . . . A 129 ALA HB3 . 36532 1 1161 . 1 . 1 109 109 ALA C C 13 174.076 0.2 . 1 . . . . A 129 ALA C . 36532 1 1162 . 1 . 1 109 109 ALA CA C 13 51.692 0.2 . 1 . . . . A 129 ALA CA . 36532 1 1163 . 1 . 1 109 109 ALA CB C 13 22.383 0.2 . 1 . . . . A 129 ALA CB . 36532 1 1164 . 1 . 1 109 109 ALA N N 15 123.212 0.2 . 1 . . . . A 129 ALA N . 36532 1 1165 . 1 . 1 110 110 LEU H H 1 9.178 0.01 . 1 . . . . A 130 LEU H . 36532 1 1166 . 1 . 1 110 110 LEU HA H 1 5.203 0.01 . 1 . . . . A 130 LEU HA . 36532 1 1167 . 1 . 1 110 110 LEU HB2 H 1 0.591 0.01 . 2 . . . . A 130 LEU HB2 . 36532 1 1168 . 1 . 1 110 110 LEU HB3 H 1 1.473 0.01 . 2 . . . . A 130 LEU HB3 . 36532 1 1169 . 1 . 1 110 110 LEU HG H 1 1.704 0.01 . 1 . . . . A 130 LEU HG . 36532 1 1170 . 1 . 1 110 110 LEU HD11 H 1 0.991 0.01 . 2 . . . . A 130 LEU HD11 . 36532 1 1171 . 1 . 1 110 110 LEU HD12 H 1 0.991 0.01 . 2 . . . . A 130 LEU HD12 . 36532 1 1172 . 1 . 1 110 110 LEU HD13 H 1 0.991 0.01 . 2 . . . . A 130 LEU HD13 . 36532 1 1173 . 1 . 1 110 110 LEU HD21 H 1 0.632 0.01 . 2 . . . . A 130 LEU HD21 . 36532 1 1174 . 1 . 1 110 110 LEU HD22 H 1 0.632 0.01 . 2 . . . . A 130 LEU HD22 . 36532 1 1175 . 1 . 1 110 110 LEU HD23 H 1 0.632 0.01 . 2 . . . . A 130 LEU HD23 . 36532 1 1176 . 1 . 1 110 110 LEU C C 13 174.673 0.2 . 1 . . . . A 130 LEU C . 36532 1 1177 . 1 . 1 110 110 LEU CA C 13 53.341 0.2 . 1 . . . . A 130 LEU CA . 36532 1 1178 . 1 . 1 110 110 LEU CB C 13 41.706 0.2 . 1 . . . . A 130 LEU CB . 36532 1 1179 . 1 . 1 110 110 LEU CG C 13 26.789 0.2 . 1 . . . . A 130 LEU CG . 36532 1 1180 . 1 . 1 110 110 LEU CD1 C 13 24.674 0.2 . 2 . . . . A 130 LEU CD1 . 36532 1 1181 . 1 . 1 110 110 LEU CD2 C 13 25.344 0.2 . 2 . . . . A 130 LEU CD2 . 36532 1 1182 . 1 . 1 110 110 LEU N N 15 121.679 0.2 . 1 . . . . A 130 LEU N . 36532 1 1183 . 1 . 1 111 111 LEU H H 1 9.001 0.01 . 1 . . . . A 131 LEU H . 36532 1 1184 . 1 . 1 111 111 LEU HA H 1 5.441 0.01 . 1 . . . . A 131 LEU HA . 36532 1 1185 . 1 . 1 111 111 LEU HB2 H 1 1.37 0.01 . 2 . . . . A 131 LEU HB2 . 36532 1 1186 . 1 . 1 111 111 LEU HB3 H 1 1.424 0.01 . 2 . . . . A 131 LEU HB3 . 36532 1 1187 . 1 . 1 111 111 LEU HG H 1 1.295 0.01 . 1 . . . . A 131 LEU HG . 36532 1 1188 . 1 . 1 111 111 LEU HD11 H 1 0.137 0.01 . 2 . . . . A 131 LEU HD11 . 36532 1 1189 . 1 . 1 111 111 LEU HD12 H 1 0.137 0.01 . 2 . . . . A 131 LEU HD12 . 36532 1 1190 . 1 . 1 111 111 LEU HD13 H 1 0.137 0.01 . 2 . . . . A 131 LEU HD13 . 36532 1 1191 . 1 . 1 111 111 LEU HD21 H 1 0.306 0.01 . 2 . . . . A 131 LEU HD21 . 36532 1 1192 . 1 . 1 111 111 LEU HD22 H 1 0.306 0.01 . 2 . . . . A 131 LEU HD22 . 36532 1 1193 . 1 . 1 111 111 LEU HD23 H 1 0.306 0.01 . 2 . . . . A 131 LEU HD23 . 36532 1 1194 . 1 . 1 111 111 LEU C C 13 175.988 0.2 . 1 . . . . A 131 LEU C . 36532 1 1195 . 1 . 1 111 111 LEU CA C 13 53.931 0.2 . 1 . . . . A 131 LEU CA . 36532 1 1196 . 1 . 1 111 111 LEU CB C 13 45.125 0.2 . 1 . . . . A 131 LEU CB . 36532 1 1197 . 1 . 1 111 111 LEU CG C 13 29.413 0.2 . 1 . . . . A 131 LEU CG . 36532 1 1198 . 1 . 1 111 111 LEU CD1 C 13 24.412 0.2 . 2 . . . . A 131 LEU CD1 . 36532 1 1199 . 1 . 1 111 111 LEU CD2 C 13 25.168 0.2 . 2 . . . . A 131 LEU CD2 . 36532 1 1200 . 1 . 1 111 111 LEU N N 15 124.127 0.2 . 1 . . . . A 131 LEU N . 36532 1 1201 . 1 . 1 112 112 TYR H H 1 8.919 0.01 . 1 . . . . A 132 TYR H . 36532 1 1202 . 1 . 1 112 112 TYR HA H 1 5.561 0.01 . 1 . . . . A 132 TYR HA . 36532 1 1203 . 1 . 1 112 112 TYR HB2 H 1 2.872 0.01 . 2 . . . . A 132 TYR HB2 . 36532 1 1204 . 1 . 1 112 112 TYR HB3 H 1 3.058 0.01 . 2 . . . . A 132 TYR HB3 . 36532 1 1205 . 1 . 1 112 112 TYR HD1 H 1 7.061 0.01 . 3 . . . . A 132 TYR HD1 . 36532 1 1206 . 1 . 1 112 112 TYR HE1 H 1 6.755 0.01 . 3 . . . . A 132 TYR HE1 . 36532 1 1207 . 1 . 1 112 112 TYR C C 13 174.049 0.2 . 1 . . . . A 132 TYR C . 36532 1 1208 . 1 . 1 112 112 TYR CA C 13 57.126 0.2 . 1 . . . . A 132 TYR CA . 36532 1 1209 . 1 . 1 112 112 TYR CB C 13 43.484 0.2 . 1 . . . . A 132 TYR CB . 36532 1 1210 . 1 . 1 112 112 TYR CD1 C 13 132.604 0.2 . 3 . . . . A 132 TYR CD1 . 36532 1 1211 . 1 . 1 112 112 TYR CE1 C 13 117.737 0.2 . 3 . . . . A 132 TYR CE1 . 36532 1 1212 . 1 . 1 112 112 TYR N N 15 121.195 0.2 . 1 . . . . A 132 TYR N . 36532 1 1213 . 1 . 1 113 113 SER H H 1 8.795 0.01 . 1 . . . . A 133 SER H . 36532 1 1214 . 1 . 1 113 113 SER HA H 1 5.739 0.01 . 1 . . . . A 133 SER HA . 36532 1 1215 . 1 . 1 113 113 SER HB2 H 1 3.665 0.01 . 2 . . . . A 133 SER HB2 . 36532 1 1216 . 1 . 1 113 113 SER C C 13 171.738 0.2 . 1 . . . . A 133 SER C . 36532 1 1217 . 1 . 1 113 113 SER CA C 13 56.095 0.2 . 1 . . . . A 133 SER CA . 36532 1 1218 . 1 . 1 113 113 SER CB C 13 66.453 0.2 . 1 . . . . A 133 SER CB . 36532 1 1219 . 1 . 1 113 113 SER N N 15 124.392 0.2 . 1 . . . . A 133 SER N . 36532 1 1220 . 1 . 1 114 114 GLN H H 1 8.436 0.01 . 1 . . . . A 134 GLN H . 36532 1 1221 . 1 . 1 114 114 GLN HA H 1 5.335 0.01 . 1 . . . . A 134 GLN HA . 36532 1 1222 . 1 . 1 114 114 GLN HE21 H 1 7.74 0.01 . 2 . . . . A 134 GLN HE21 . 36532 1 1223 . 1 . 1 114 114 GLN HE22 H 1 7.033 0.01 . 2 . . . . A 134 GLN HE22 . 36532 1 1224 . 1 . 1 114 114 GLN CA C 13 54.23 0.2 . 1 . . . . A 134 GLN CA . 36532 1 1225 . 1 . 1 114 114 GLN CB C 13 29.914 0.2 . 1 . . . . A 134 GLN CB . 36532 1 1226 . 1 . 1 114 114 GLN N N 15 118.854 0.2 . 1 . . . . A 134 GLN N . 36532 1 1227 . 1 . 1 114 114 GLN NE2 N 15 112.899 0.2 . 1 . . . . A 134 GLN NE2 . 36532 1 1228 . 1 . 1 115 115 GLY HA2 H 1 4.195 0.01 . 2 . . . . A 135 GLY HA2 . 36532 1 1229 . 1 . 1 115 115 GLY HA3 H 1 4.283 0.01 . 2 . . . . A 135 GLY HA3 . 36532 1 1230 . 1 . 1 115 115 GLY CA C 13 45.687 0.2 . 1 . . . . A 135 GLY CA . 36532 1 1231 . 1 . 1 116 116 SER H H 1 8.344 0.01 . 1 . . . . A 136 SER H . 36532 1 1232 . 1 . 1 116 116 SER HA H 1 4.714 0.01 . 1 . . . . A 136 SER HA . 36532 1 1233 . 1 . 1 116 116 SER HB2 H 1 3.847 0.01 . 2 . . . . A 136 SER HB2 . 36532 1 1234 . 1 . 1 116 116 SER CA C 13 58.264 0.2 . 1 . . . . A 136 SER CA . 36532 1 1235 . 1 . 1 116 116 SER CB C 13 64.138 0.2 . 1 . . . . A 136 SER CB . 36532 1 1236 . 1 . 1 116 116 SER N N 15 116.137 0.2 . 1 . . . . A 136 SER N . 36532 1 1237 . 1 . 1 117 117 LYS H H 1 8.172 0.01 . 1 . . . . A 137 LYS H . 36532 1 1238 . 1 . 1 117 117 LYS HA H 1 4.39 0.01 . 1 . . . . A 137 LYS HA . 36532 1 1239 . 1 . 1 117 117 LYS HB2 H 1 2.002 0.01 . 2 . . . . A 137 LYS HB2 . 36532 1 1240 . 1 . 1 117 117 LYS CA C 13 56.596 0.2 . 1 . . . . A 137 LYS CA . 36532 1 1241 . 1 . 1 117 117 LYS CB C 13 33.089 0.2 . 1 . . . . A 137 LYS CB . 36532 1 1242 . 1 . 1 117 117 LYS N N 15 121.92 0.2 . 1 . . . . A 137 LYS N . 36532 1 1243 . 1 . 1 118 118 GLY H H 1 8.442 0.01 . 1 . . . . A 138 GLY H . 36532 1 1244 . 1 . 1 118 118 GLY HA2 H 1 3.889 0.01 . 2 . . . . A 138 GLY HA2 . 36532 1 1245 . 1 . 1 118 118 GLY HA3 H 1 4.046 0.01 . 2 . . . . A 138 GLY HA3 . 36532 1 1246 . 1 . 1 118 118 GLY CA C 13 44.776 0.2 . 1 . . . . A 138 GLY CA . 36532 1 1247 . 1 . 1 118 118 GLY N N 15 111.475 0.2 . 1 . . . . A 138 GLY N . 36532 1 1248 . 1 . 1 119 119 PRO HA H 1 4.385 0.01 . 1 . . . . A 139 PRO HA . 36532 1 1249 . 1 . 1 119 119 PRO HB2 H 1 1.909 0.01 . 2 . . . . A 139 PRO HB2 . 36532 1 1250 . 1 . 1 119 119 PRO HB3 H 1 2.259 0.01 . 2 . . . . A 139 PRO HB3 . 36532 1 1251 . 1 . 1 119 119 PRO HG2 H 1 1.948 0.01 . 2 . . . . A 139 PRO HG2 . 36532 1 1252 . 1 . 1 119 119 PRO HG3 H 1 2.034 0.01 . 2 . . . . A 139 PRO HG3 . 36532 1 1253 . 1 . 1 119 119 PRO HD2 H 1 3.522 0.01 . 2 . . . . A 139 PRO HD2 . 36532 1 1254 . 1 . 1 119 119 PRO HD3 H 1 3.597 0.01 . 2 . . . . A 139 PRO HD3 . 36532 1 1255 . 1 . 1 119 119 PRO CA C 13 64.023 0.2 . 1 . . . . A 139 PRO CA . 36532 1 1256 . 1 . 1 119 119 PRO CB C 13 31.603 0.2 . 1 . . . . A 139 PRO CB . 36532 1 1257 . 1 . 1 119 119 PRO CG C 13 27.421 0.2 . 1 . . . . A 139 PRO CG . 36532 1 1258 . 1 . 1 119 119 PRO CD C 13 49.448 0.2 . 1 . . . . A 139 PRO CD . 36532 1 1259 . 1 . 1 120 120 GLY H H 1 8.635 0.01 . 1 . . . . A 140 GLY H . 36532 1 1260 . 1 . 1 120 120 GLY HA2 H 1 3.996 0.01 . 2 . . . . A 140 GLY HA2 . 36532 1 1261 . 1 . 1 120 120 GLY C C 13 174.575 0.2 . 1 . . . . A 140 GLY C . 36532 1 1262 . 1 . 1 120 120 GLY CA C 13 45.486 0.2 . 1 . . . . A 140 GLY CA . 36532 1 1263 . 1 . 1 120 120 GLY N N 15 110.673 0.2 . 1 . . . . A 140 GLY N . 36532 1 1264 . 1 . 1 121 121 GLU H H 1 7.998 0.01 . 1 . . . . A 141 GLU H . 36532 1 1265 . 1 . 1 121 121 GLU HA H 1 4.248 0.01 . 1 . . . . A 141 GLU HA . 36532 1 1266 . 1 . 1 121 121 GLU HB2 H 1 1.983 0.01 . 2 . . . . A 141 GLU HB2 . 36532 1 1267 . 1 . 1 121 121 GLU CA C 13 56.626 0.2 . 1 . . . . A 141 GLU CA . 36532 1 1268 . 1 . 1 121 121 GLU CB C 13 28.839 0.2 . 1 . . . . A 141 GLU CB . 36532 1 1269 . 1 . 1 121 121 GLU N N 15 120.475 0.2 . 1 . . . . A 141 GLU N . 36532 1 1270 . 1 . 1 122 122 ASP H H 1 8.473 0.01 . 1 . . . . A 142 ASP H . 36532 1 1271 . 1 . 1 122 122 ASP HA H 1 4.64 0.01 . 1 . . . . A 142 ASP HA . 36532 1 1272 . 1 . 1 122 122 ASP N N 15 116.966 0.2 . 1 . . . . A 142 ASP N . 36532 1 1273 . 1 . 1 123 123 PHE HE1 H 1 7.054 0.01 . 3 . . . . A 143 PHE HE1 . 36532 1 1274 . 1 . 1 123 123 PHE CE1 C 13 130.443 0.2 . 3 . . . . A 143 PHE CE1 . 36532 1 1275 . 1 . 1 124 124 ARG HA H 1 4.884 0.01 . 1 . . . . A 144 ARG HA . 36532 1 1276 . 1 . 1 124 124 ARG HB2 H 1 2.026 0.01 . 2 . . . . A 144 ARG HB2 . 36532 1 1277 . 1 . 1 124 124 ARG HG2 H 1 1.706 0.01 . 2 . . . . A 144 ARG HG2 . 36532 1 1278 . 1 . 1 124 124 ARG HD2 H 1 3.264 0.01 . 2 . . . . A 144 ARG HD2 . 36532 1 1279 . 1 . 1 124 124 ARG C C 13 175.059 0.2 . 1 . . . . A 144 ARG C . 36532 1 1280 . 1 . 1 124 124 ARG CA C 13 54.924 0.2 . 1 . . . . A 144 ARG CA . 36532 1 1281 . 1 . 1 124 124 ARG CB C 13 34.043 0.2 . 1 . . . . A 144 ARG CB . 36532 1 1282 . 1 . 1 124 124 ARG CG C 13 27.505 0.2 . 1 . . . . A 144 ARG CG . 36532 1 1283 . 1 . 1 124 124 ARG CD C 13 43.424 0.2 . 1 . . . . A 144 ARG CD . 36532 1 1284 . 1 . 1 125 125 MET H H 1 8.842 0.01 . 1 . . . . A 145 MET H . 36532 1 1285 . 1 . 1 125 125 MET HA H 1 5.122 0.01 . 1 . . . . A 145 MET HA . 36532 1 1286 . 1 . 1 125 125 MET HB2 H 1 1.755 0.01 . 2 . . . . A 145 MET HB2 . 36532 1 1287 . 1 . 1 125 125 MET HG2 H 1 2.262 0.01 . 2 . . . . A 145 MET HG2 . 36532 1 1288 . 1 . 1 125 125 MET C C 13 173.228 0.2 . 1 . . . . A 145 MET C . 36532 1 1289 . 1 . 1 125 125 MET CA C 13 55.106 0.2 . 1 . . . . A 145 MET CA . 36532 1 1290 . 1 . 1 125 125 MET CB C 13 37.993 0.2 . 1 . . . . A 145 MET CB . 36532 1 1291 . 1 . 1 125 125 MET CG C 13 31.42 0.2 . 1 . . . . A 145 MET CG . 36532 1 1292 . 1 . 1 125 125 MET N N 15 121.778 0.2 . 1 . . . . A 145 MET N . 36532 1 1293 . 1 . 1 126 126 ALA H H 1 9.053 0.01 . 1 . . . . A 146 ALA H . 36532 1 1294 . 1 . 1 126 126 ALA HA H 1 5.862 0.01 . 1 . . . . A 146 ALA HA . 36532 1 1295 . 1 . 1 126 126 ALA HB1 H 1 1.59 0.01 . 1 . . . . A 146 ALA HB1 . 36532 1 1296 . 1 . 1 126 126 ALA HB2 H 1 1.59 0.01 . 1 . . . . A 146 ALA HB2 . 36532 1 1297 . 1 . 1 126 126 ALA HB3 H 1 1.59 0.01 . 1 . . . . A 146 ALA HB3 . 36532 1 1298 . 1 . 1 126 126 ALA C C 13 175.964 0.2 . 1 . . . . A 146 ALA C . 36532 1 1299 . 1 . 1 126 126 ALA CA C 13 49.838 0.2 . 1 . . . . A 146 ALA CA . 36532 1 1300 . 1 . 1 126 126 ALA CB C 13 22.447 0.2 . 1 . . . . A 146 ALA CB . 36532 1 1301 . 1 . 1 126 126 ALA N N 15 128.914 0.2 . 1 . . . . A 146 ALA N . 36532 1 1302 . 1 . 1 127 127 THR H H 1 9.244 0.01 . 1 . . . . A 147 THR H . 36532 1 1303 . 1 . 1 127 127 THR HA H 1 4.981 0.01 . 1 . . . . A 147 THR HA . 36532 1 1304 . 1 . 1 127 127 THR HB H 1 3.663 0.01 . 1 . . . . A 147 THR HB . 36532 1 1305 . 1 . 1 127 127 THR HG21 H 1 1.401 0.01 . 1 . . . . A 147 THR HG21 . 36532 1 1306 . 1 . 1 127 127 THR HG22 H 1 1.401 0.01 . 1 . . . . A 147 THR HG22 . 36532 1 1307 . 1 . 1 127 127 THR HG23 H 1 1.401 0.01 . 1 . . . . A 147 THR HG23 . 36532 1 1308 . 1 . 1 127 127 THR C C 13 171.826 0.2 . 1 . . . . A 147 THR C . 36532 1 1309 . 1 . 1 127 127 THR CA C 13 62.037 0.2 . 1 . . . . A 147 THR CA . 36532 1 1310 . 1 . 1 127 127 THR CB C 13 72.087 0.2 . 1 . . . . A 147 THR CB . 36532 1 1311 . 1 . 1 127 127 THR CG2 C 13 21.807 0.2 . 1 . . . . A 147 THR CG2 . 36532 1 1312 . 1 . 1 127 127 THR N N 15 117.258 0.2 . 1 . . . . A 147 THR N . 36532 1 1313 . 1 . 1 128 128 LEU H H 1 8.078 0.01 . 1 . . . . A 148 LEU H . 36532 1 1314 . 1 . 1 128 128 LEU HA H 1 4.902 0.01 . 1 . . . . A 148 LEU HA . 36532 1 1315 . 1 . 1 128 128 LEU HB2 H 1 1.047 0.01 . 2 . . . . A 148 LEU HB2 . 36532 1 1316 . 1 . 1 128 128 LEU HG H 1 1.472 0.01 . 1 . . . . A 148 LEU HG . 36532 1 1317 . 1 . 1 128 128 LEU HD11 H 1 1.083 0.01 . 2 . . . . A 148 LEU HD11 . 36532 1 1318 . 1 . 1 128 128 LEU HD12 H 1 1.083 0.01 . 2 . . . . A 148 LEU HD12 . 36532 1 1319 . 1 . 1 128 128 LEU HD13 H 1 1.083 0.01 . 2 . . . . A 148 LEU HD13 . 36532 1 1320 . 1 . 1 128 128 LEU HD21 H 1 0.794 0.01 . 2 . . . . A 148 LEU HD21 . 36532 1 1321 . 1 . 1 128 128 LEU HD22 H 1 0.794 0.01 . 2 . . . . A 148 LEU HD22 . 36532 1 1322 . 1 . 1 128 128 LEU HD23 H 1 0.794 0.01 . 2 . . . . A 148 LEU HD23 . 36532 1 1323 . 1 . 1 128 128 LEU C C 13 174.323 0.2 . 1 . . . . A 148 LEU C . 36532 1 1324 . 1 . 1 128 128 LEU CA C 13 53.126 0.2 . 1 . . . . A 148 LEU CA . 36532 1 1325 . 1 . 1 128 128 LEU CB C 13 41.64 0.2 . 1 . . . . A 148 LEU CB . 36532 1 1326 . 1 . 1 128 128 LEU CG C 13 27.895 0.2 . 1 . . . . A 148 LEU CG . 36532 1 1327 . 1 . 1 128 128 LEU CD1 C 13 23.479 0.2 . 2 . . . . A 148 LEU CD1 . 36532 1 1328 . 1 . 1 128 128 LEU CD2 C 13 25.677 0.2 . 2 . . . . A 148 LEU CD2 . 36532 1 1329 . 1 . 1 128 128 LEU N N 15 128.085 0.2 . 1 . . . . A 148 LEU N . 36532 1 1330 . 1 . 1 129 129 TYR H H 1 9.428 0.01 . 1 . . . . A 149 TYR H . 36532 1 1331 . 1 . 1 129 129 TYR HA H 1 5.773 0.01 . 1 . . . . A 149 TYR HA . 36532 1 1332 . 1 . 1 129 129 TYR HB2 H 1 2.585 0.01 . 2 . . . . A 149 TYR HB2 . 36532 1 1333 . 1 . 1 129 129 TYR HB3 H 1 2.848 0.01 . 2 . . . . A 149 TYR HB3 . 36532 1 1334 . 1 . 1 129 129 TYR HD2 H 1 7.049 0.01 . 3 . . . . A 149 TYR HD2 . 36532 1 1335 . 1 . 1 129 129 TYR C C 13 175.826 0.2 . 1 . . . . A 149 TYR C . 36532 1 1336 . 1 . 1 129 129 TYR CA C 13 54.156 0.2 . 1 . . . . A 149 TYR CA . 36532 1 1337 . 1 . 1 129 129 TYR CB C 13 39.101 0.2 . 1 . . . . A 149 TYR CB . 36532 1 1338 . 1 . 1 129 129 TYR CD1 C 13 132.52 0.2 . 3 . . . . A 149 TYR CD1 . 36532 1 1339 . 1 . 1 129 129 TYR N N 15 129.976 0.2 . 1 . . . . A 149 TYR N . 36532 1 1340 . 1 . 1 130 130 SER H H 1 9.817 0.01 . 1 . . . . A 150 SER H . 36532 1 1341 . 1 . 1 130 130 SER HA H 1 6.109 0.01 . 1 . . . . A 150 SER HA . 36532 1 1342 . 1 . 1 130 130 SER HB2 H 1 3.936 0.01 . 2 . . . . A 150 SER HB2 . 36532 1 1343 . 1 . 1 130 130 SER HB3 H 1 4.025 0.01 . 2 . . . . A 150 SER HB3 . 36532 1 1344 . 1 . 1 130 130 SER C C 13 176.617 0.2 . 1 . . . . A 150 SER C . 36532 1 1345 . 1 . 1 130 130 SER CA C 13 55.587 0.2 . 1 . . . . A 150 SER CA . 36532 1 1346 . 1 . 1 130 130 SER CB C 13 66.03 0.2 . 1 . . . . A 150 SER CB . 36532 1 1347 . 1 . 1 130 130 SER N N 15 114.929 0.2 . 1 . . . . A 150 SER N . 36532 1 1348 . 1 . 1 131 131 ARG H H 1 8.913 0.01 . 1 . . . . A 151 ARG H . 36532 1 1349 . 1 . 1 131 131 ARG HA H 1 4.135 0.01 . 1 . . . . A 151 ARG HA . 36532 1 1350 . 1 . 1 131 131 ARG HB2 H 1 1.961 0.01 . 2 . . . . A 151 ARG HB2 . 36532 1 1351 . 1 . 1 131 131 ARG HB3 H 1 2.055 0.01 . 2 . . . . A 151 ARG HB3 . 36532 1 1352 . 1 . 1 131 131 ARG HG2 H 1 1.268 0.01 . 2 . . . . A 151 ARG HG2 . 36532 1 1353 . 1 . 1 131 131 ARG HD2 H 1 1.764 0.01 . 2 . . . . A 151 ARG HD2 . 36532 1 1354 . 1 . 1 131 131 ARG HD3 H 1 2.372 0.01 . 2 . . . . A 151 ARG HD3 . 36532 1 1355 . 1 . 1 131 131 ARG C C 13 176.631 0.2 . 1 . . . . A 151 ARG C . 36532 1 1356 . 1 . 1 131 131 ARG CA C 13 56.82 0.2 . 1 . . . . A 151 ARG CA . 36532 1 1357 . 1 . 1 131 131 ARG CB C 13 31.285 0.2 . 1 . . . . A 151 ARG CB . 36532 1 1358 . 1 . 1 131 131 ARG CG C 13 25.155 0.2 . 1 . . . . A 151 ARG CG . 36532 1 1359 . 1 . 1 131 131 ARG CD C 13 42.319 0.2 . 1 . . . . A 151 ARG CD . 36532 1 1360 . 1 . 1 131 131 ARG N N 15 125.972 0.2 . 1 . . . . A 151 ARG N . 36532 1 1361 . 1 . 1 132 132 THR H H 1 7.885 0.01 . 1 . . . . A 152 THR H . 36532 1 1362 . 1 . 1 132 132 THR HA H 1 4.894 0.01 . 1 . . . . A 152 THR HA . 36532 1 1363 . 1 . 1 132 132 THR HB H 1 4.362 0.01 . 1 . . . . A 152 THR HB . 36532 1 1364 . 1 . 1 132 132 THR HG21 H 1 1.228 0.01 . 1 . . . . A 152 THR HG21 . 36532 1 1365 . 1 . 1 132 132 THR HG22 H 1 1.228 0.01 . 1 . . . . A 152 THR HG22 . 36532 1 1366 . 1 . 1 132 132 THR HG23 H 1 1.228 0.01 . 1 . . . . A 152 THR HG23 . 36532 1 1367 . 1 . 1 132 132 THR C C 13 174.792 0.2 . 1 . . . . A 152 THR C . 36532 1 1368 . 1 . 1 132 132 THR CA C 13 58.922 0.2 . 1 . . . . A 152 THR CA . 36532 1 1369 . 1 . 1 132 132 THR CB C 13 70.798 0.2 . 1 . . . . A 152 THR CB . 36532 1 1370 . 1 . 1 132 132 THR CG2 C 13 20.988 0.2 . 1 . . . . A 152 THR CG2 . 36532 1 1371 . 1 . 1 132 132 THR N N 15 107.521 0.2 . 1 . . . . A 152 THR N . 36532 1 1372 . 1 . 1 133 133 GLN H H 1 8.742 0.01 . 1 . . . . A 153 GLN H . 36532 1 1373 . 1 . 1 133 133 GLN HA H 1 3.592 0.01 . 1 . . . . A 153 GLN HA . 36532 1 1374 . 1 . 1 133 133 GLN HB2 H 1 1.564 0.01 . 2 . . . . A 153 GLN HB2 . 36532 1 1375 . 1 . 1 133 133 GLN HB3 H 1 1.879 0.01 . 2 . . . . A 153 GLN HB3 . 36532 1 1376 . 1 . 1 133 133 GLN HG2 H 1 1.147 0.01 . 2 . . . . A 153 GLN HG2 . 36532 1 1377 . 1 . 1 133 133 GLN HE21 H 1 6.622 0.01 . 2 . . . . A 153 GLN HE21 . 36532 1 1378 . 1 . 1 133 133 GLN HE22 H 1 6.931 0.01 . 2 . . . . A 153 GLN HE22 . 36532 1 1379 . 1 . 1 133 133 GLN C C 13 174.423 0.2 . 1 . . . . A 153 GLN C . 36532 1 1380 . 1 . 1 133 133 GLN CA C 13 57.997 0.2 . 1 . . . . A 153 GLN CA . 36532 1 1381 . 1 . 1 133 133 GLN CB C 13 29.751 0.2 . 1 . . . . A 153 GLN CB . 36532 1 1382 . 1 . 1 133 133 GLN CG C 13 33.844 0.2 . 1 . . . . A 153 GLN CG . 36532 1 1383 . 1 . 1 133 133 GLN N N 15 119.744 0.2 . 1 . . . . A 153 GLN N . 36532 1 1384 . 1 . 1 133 133 GLN NE2 N 15 110.312 0.2 . 1 . . . . A 153 GLN NE2 . 36532 1 1385 . 1 . 1 134 134 THR H H 1 7.37 0.01 . 1 . . . . A 154 THR H . 36532 1 1386 . 1 . 1 134 134 THR HA H 1 4.617 0.01 . 1 . . . . A 154 THR HA . 36532 1 1387 . 1 . 1 134 134 THR HB H 1 4.159 0.01 . 1 . . . . A 154 THR HB . 36532 1 1388 . 1 . 1 134 134 THR HG21 H 1 0.99 0.01 . 1 . . . . A 154 THR HG21 . 36532 1 1389 . 1 . 1 134 134 THR HG22 H 1 0.99 0.01 . 1 . . . . A 154 THR HG22 . 36532 1 1390 . 1 . 1 134 134 THR HG23 H 1 0.99 0.01 . 1 . . . . A 154 THR HG23 . 36532 1 1391 . 1 . 1 134 134 THR CA C 13 56.983 0.2 . 1 . . . . A 154 THR CA . 36532 1 1392 . 1 . 1 134 134 THR CB C 13 68.915 0.2 . 1 . . . . A 154 THR CB . 36532 1 1393 . 1 . 1 134 134 THR CG2 C 13 20.942 0.2 . 1 . . . . A 154 THR CG2 . 36532 1 1394 . 1 . 1 134 134 THR N N 15 106.58 0.2 . 1 . . . . A 154 THR N . 36532 1 1395 . 1 . 1 135 135 PRO HA H 1 4.437 0.01 . 1 . . . . A 155 PRO HA . 36532 1 1396 . 1 . 1 135 135 PRO HB2 H 1 1.859 0.01 . 2 . . . . A 155 PRO HB2 . 36532 1 1397 . 1 . 1 135 135 PRO HB3 H 1 2.255 0.01 . 2 . . . . A 155 PRO HB3 . 36532 1 1398 . 1 . 1 135 135 PRO HG2 H 1 1.903 0.01 . 2 . . . . A 155 PRO HG2 . 36532 1 1399 . 1 . 1 135 135 PRO HD2 H 1 3.387 0.01 . 2 . . . . A 155 PRO HD2 . 36532 1 1400 . 1 . 1 135 135 PRO HD3 H 1 3.739 0.01 . 2 . . . . A 155 PRO HD3 . 36532 1 1401 . 1 . 1 135 135 PRO C C 13 176.453 0.2 . 1 . . . . A 155 PRO C . 36532 1 1402 . 1 . 1 135 135 PRO CA C 13 62.005 0.2 . 1 . . . . A 155 PRO CA . 36532 1 1403 . 1 . 1 135 135 PRO CB C 13 31.828 0.2 . 1 . . . . A 155 PRO CB . 36532 1 1404 . 1 . 1 135 135 PRO CG C 13 27.221 0.2 . 1 . . . . A 155 PRO CG . 36532 1 1405 . 1 . 1 135 135 PRO CD C 13 50.362 0.2 . 1 . . . . A 155 PRO CD . 36532 1 1406 . 1 . 1 136 136 ARG H H 1 8.357 0.01 . 1 . . . . A 156 ARG H . 36532 1 1407 . 1 . 1 136 136 ARG HA H 1 4.25 0.01 . 1 . . . . A 156 ARG HA . 36532 1 1408 . 1 . 1 136 136 ARG HB2 H 1 1.869 0.01 . 2 . . . . A 156 ARG HB2 . 36532 1 1409 . 1 . 1 136 136 ARG HB3 H 1 2.174 0.01 . 2 . . . . A 156 ARG HB3 . 36532 1 1410 . 1 . 1 136 136 ARG HG2 H 1 1.824 0.01 . 2 . . . . A 156 ARG HG2 . 36532 1 1411 . 1 . 1 136 136 ARG HG3 H 1 1.863 0.01 . 2 . . . . A 156 ARG HG3 . 36532 1 1412 . 1 . 1 136 136 ARG HD2 H 1 3.346 0.01 . 2 . . . . A 156 ARG HD2 . 36532 1 1413 . 1 . 1 136 136 ARG C C 13 177.435 0.2 . 1 . . . . A 156 ARG C . 36532 1 1414 . 1 . 1 136 136 ARG CA C 13 55.968 0.2 . 1 . . . . A 156 ARG CA . 36532 1 1415 . 1 . 1 136 136 ARG CB C 13 31.276 0.2 . 1 . . . . A 156 ARG CB . 36532 1 1416 . 1 . 1 136 136 ARG CG C 13 27.971 0.2 . 1 . . . . A 156 ARG CG . 36532 1 1417 . 1 . 1 136 136 ARG CD C 13 43.357 0.2 . 1 . . . . A 156 ARG CD . 36532 1 1418 . 1 . 1 136 136 ARG N N 15 120.419 0.2 . 1 . . . . A 156 ARG N . 36532 1 1419 . 1 . 1 137 137 ALA H H 1 8.847 0.01 . 1 . . . . A 157 ALA H . 36532 1 1420 . 1 . 1 137 137 ALA HA H 1 3.823 0.01 . 1 . . . . A 157 ALA HA . 36532 1 1421 . 1 . 1 137 137 ALA HB1 H 1 1.461 0.01 . 1 . . . . A 157 ALA HB1 . 36532 1 1422 . 1 . 1 137 137 ALA HB2 H 1 1.461 0.01 . 1 . . . . A 157 ALA HB2 . 36532 1 1423 . 1 . 1 137 137 ALA HB3 H 1 1.461 0.01 . 1 . . . . A 157 ALA HB3 . 36532 1 1424 . 1 . 1 137 137 ALA C C 13 180.005 0.2 . 1 . . . . A 157 ALA C . 36532 1 1425 . 1 . 1 137 137 ALA CA C 13 56.021 0.2 . 1 . . . . A 157 ALA CA . 36532 1 1426 . 1 . 1 137 137 ALA CB C 13 18.16 0.2 . 1 . . . . A 157 ALA CB . 36532 1 1427 . 1 . 1 137 137 ALA N N 15 125.349 0.2 . 1 . . . . A 157 ALA N . 36532 1 1428 . 1 . 1 138 138 GLU H H 1 9.605 0.01 . 1 . . . . A 158 GLU H . 36532 1 1429 . 1 . 1 138 138 GLU HA H 1 4.083 0.01 . 1 . . . . A 158 GLU HA . 36532 1 1430 . 1 . 1 138 138 GLU HB2 H 1 1.964 0.01 . 2 . . . . A 158 GLU HB2 . 36532 1 1431 . 1 . 1 138 138 GLU HB3 H 1 2.024 0.01 . 2 . . . . A 158 GLU HB3 . 36532 1 1432 . 1 . 1 138 138 GLU HG2 H 1 2.376 0.01 . 2 . . . . A 158 GLU HG2 . 36532 1 1433 . 1 . 1 138 138 GLU C C 13 179.21 0.2 . 1 . . . . A 158 GLU C . 36532 1 1434 . 1 . 1 138 138 GLU CA C 13 59.785 0.2 . 1 . . . . A 158 GLU CA . 36532 1 1435 . 1 . 1 138 138 GLU CB C 13 28.78 0.2 . 1 . . . . A 158 GLU CB . 36532 1 1436 . 1 . 1 138 138 GLU CG C 13 36.126 0.2 . 1 . . . . A 158 GLU CG . 36532 1 1437 . 1 . 1 138 138 GLU N N 15 116.483 0.2 . 1 . . . . A 158 GLU N . 36532 1 1438 . 1 . 1 139 139 LEU H H 1 7.505 0.01 . 1 . . . . A 159 LEU H . 36532 1 1439 . 1 . 1 139 139 LEU HA H 1 3.997 0.01 . 1 . . . . A 159 LEU HA . 36532 1 1440 . 1 . 1 139 139 LEU HB2 H 1 1.367 0.01 . 2 . . . . A 159 LEU HB2 . 36532 1 1441 . 1 . 1 139 139 LEU HB3 H 1 1.975 0.01 . 2 . . . . A 159 LEU HB3 . 36532 1 1442 . 1 . 1 139 139 LEU HG H 1 1.598 0.01 . 1 . . . . A 159 LEU HG . 36532 1 1443 . 1 . 1 139 139 LEU HD11 H 1 0.603 0.01 . 2 . . . . A 159 LEU HD11 . 36532 1 1444 . 1 . 1 139 139 LEU HD12 H 1 0.603 0.01 . 2 . . . . A 159 LEU HD12 . 36532 1 1445 . 1 . 1 139 139 LEU HD13 H 1 0.603 0.01 . 2 . . . . A 159 LEU HD13 . 36532 1 1446 . 1 . 1 139 139 LEU HD21 H 1 0.986 0.01 . 2 . . . . A 159 LEU HD21 . 36532 1 1447 . 1 . 1 139 139 LEU HD22 H 1 0.986 0.01 . 2 . . . . A 159 LEU HD22 . 36532 1 1448 . 1 . 1 139 139 LEU HD23 H 1 0.986 0.01 . 2 . . . . A 159 LEU HD23 . 36532 1 1449 . 1 . 1 139 139 LEU C C 13 178.891 0.2 . 1 . . . . A 159 LEU C . 36532 1 1450 . 1 . 1 139 139 LEU CA C 13 56.74 0.2 . 1 . . . . A 159 LEU CA . 36532 1 1451 . 1 . 1 139 139 LEU CB C 13 41.252 0.2 . 1 . . . . A 159 LEU CB . 36532 1 1452 . 1 . 1 139 139 LEU CG C 13 27.491 0.2 . 1 . . . . A 159 LEU CG . 36532 1 1453 . 1 . 1 139 139 LEU CD1 C 13 23.244 0.2 . 2 . . . . A 159 LEU CD1 . 36532 1 1454 . 1 . 1 139 139 LEU CD2 C 13 25.451 0.2 . 2 . . . . A 159 LEU CD2 . 36532 1 1455 . 1 . 1 139 139 LEU N N 15 118.93 0.2 . 1 . . . . A 159 LEU N . 36532 1 1456 . 1 . 1 140 140 LYS H H 1 7.408 0.01 . 1 . . . . A 160 LYS H . 36532 1 1457 . 1 . 1 140 140 LYS HA H 1 3.972 0.01 . 1 . . . . A 160 LYS HA . 36532 1 1458 . 1 . 1 140 140 LYS HB2 H 1 1.402 0.01 . 2 . . . . A 160 LYS HB2 . 36532 1 1459 . 1 . 1 140 140 LYS HB3 H 1 1.798 0.01 . 2 . . . . A 160 LYS HB3 . 36532 1 1460 . 1 . 1 140 140 LYS HG2 H 1 0.581 0.01 . 2 . . . . A 160 LYS HG2 . 36532 1 1461 . 1 . 1 140 140 LYS HG3 H 1 1.223 0.01 . 2 . . . . A 160 LYS HG3 . 36532 1 1462 . 1 . 1 140 140 LYS HD2 H 1 1.033 0.01 . 2 . . . . A 160 LYS HD2 . 36532 1 1463 . 1 . 1 140 140 LYS HD3 H 1 1.196 0.01 . 2 . . . . A 160 LYS HD3 . 36532 1 1464 . 1 . 1 140 140 LYS HE2 H 1 2.257 0.01 . 2 . . . . A 160 LYS HE2 . 36532 1 1465 . 1 . 1 140 140 LYS HE3 H 1 2.376 0.01 . 2 . . . . A 160 LYS HE3 . 36532 1 1466 . 1 . 1 140 140 LYS C C 13 179.312 0.2 . 1 . . . . A 160 LYS C . 36532 1 1467 . 1 . 1 140 140 LYS CA C 13 60.81 0.2 . 1 . . . . A 160 LYS CA . 36532 1 1468 . 1 . 1 140 140 LYS CB C 13 31.056 0.2 . 1 . . . . A 160 LYS CB . 36532 1 1469 . 1 . 1 140 140 LYS CG C 13 25.8 0.2 . 1 . . . . A 160 LYS CG . 36532 1 1470 . 1 . 1 140 140 LYS CD C 13 28.985 0.2 . 1 . . . . A 160 LYS CD . 36532 1 1471 . 1 . 1 140 140 LYS CE C 13 40.983 0.2 . 1 . . . . A 160 LYS CE . 36532 1 1472 . 1 . 1 140 140 LYS N N 15 119.507 0.2 . 1 . . . . A 160 LYS N . 36532 1 1473 . 1 . 1 141 141 GLU H H 1 8.163 0.01 . 1 . . . . A 161 GLU H . 36532 1 1474 . 1 . 1 141 141 GLU HA H 1 4.169 0.01 . 1 . . . . A 161 GLU HA . 36532 1 1475 . 1 . 1 141 141 GLU HB2 H 1 2.122 0.01 . 2 . . . . A 161 GLU HB2 . 36532 1 1476 . 1 . 1 141 141 GLU HG2 H 1 2.407 0.01 . 2 . . . . A 161 GLU HG2 . 36532 1 1477 . 1 . 1 141 141 GLU HG3 H 1 2.451 0.01 . 2 . . . . A 161 GLU HG3 . 36532 1 1478 . 1 . 1 141 141 GLU C C 13 179.14 0.2 . 1 . . . . A 161 GLU C . 36532 1 1479 . 1 . 1 141 141 GLU CA C 13 59.129 0.2 . 1 . . . . A 161 GLU CA . 36532 1 1480 . 1 . 1 141 141 GLU CB C 13 28.537 0.2 . 1 . . . . A 161 GLU CB . 36532 1 1481 . 1 . 1 141 141 GLU CG C 13 34.928 0.2 . 1 . . . . A 161 GLU CG . 36532 1 1482 . 1 . 1 141 141 GLU N N 15 119.477 0.2 . 1 . . . . A 161 GLU N . 36532 1 1483 . 1 . 1 142 142 LYS H H 1 7.789 0.01 . 1 . . . . A 162 LYS H . 36532 1 1484 . 1 . 1 142 142 LYS HA H 1 4.152 0.01 . 1 . . . . A 162 LYS HA . 36532 1 1485 . 1 . 1 142 142 LYS HB2 H 1 1.806 0.01 . 2 . . . . A 162 LYS HB2 . 36532 1 1486 . 1 . 1 142 142 LYS HB3 H 1 2.018 0.01 . 2 . . . . A 162 LYS HB3 . 36532 1 1487 . 1 . 1 142 142 LYS HG2 H 1 1.33 0.01 . 2 . . . . A 162 LYS HG2 . 36532 1 1488 . 1 . 1 142 142 LYS HG3 H 1 1.605 0.01 . 2 . . . . A 162 LYS HG3 . 36532 1 1489 . 1 . 1 142 142 LYS HD2 H 1 1.107 0.01 . 2 . . . . A 162 LYS HD2 . 36532 1 1490 . 1 . 1 142 142 LYS HD3 H 1 1.56 0.01 . 2 . . . . A 162 LYS HD3 . 36532 1 1491 . 1 . 1 142 142 LYS HE2 H 1 2.713 0.01 . 2 . . . . A 162 LYS HE2 . 36532 1 1492 . 1 . 1 142 142 LYS HE3 H 1 2.798 0.01 . 2 . . . . A 162 LYS HE3 . 36532 1 1493 . 1 . 1 142 142 LYS C C 13 179.583 0.2 . 1 . . . . A 162 LYS C . 36532 1 1494 . 1 . 1 142 142 LYS CA C 13 59.405 0.2 . 1 . . . . A 162 LYS CA . 36532 1 1495 . 1 . 1 142 142 LYS CB C 13 32.245 0.2 . 1 . . . . A 162 LYS CB . 36532 1 1496 . 1 . 1 142 142 LYS CG C 13 24.198 0.2 . 1 . . . . A 162 LYS CG . 36532 1 1497 . 1 . 1 142 142 LYS CD C 13 29.076 0.2 . 1 . . . . A 162 LYS CD . 36532 1 1498 . 1 . 1 142 142 LYS CE C 13 40.685 0.2 . 1 . . . . A 162 LYS CE . 36532 1 1499 . 1 . 1 142 142 LYS N N 15 121.059 0.2 . 1 . . . . A 162 LYS N . 36532 1 1500 . 1 . 1 143 143 PHE H H 1 8.41 0.01 . 1 . . . . A 163 PHE H . 36532 1 1501 . 1 . 1 143 143 PHE HA H 1 4.482 0.01 . 1 . . . . A 163 PHE HA . 36532 1 1502 . 1 . 1 143 143 PHE HB2 H 1 3.387 0.01 . 2 . . . . A 163 PHE HB2 . 36532 1 1503 . 1 . 1 143 143 PHE HB3 H 1 3.496 0.01 . 2 . . . . A 163 PHE HB3 . 36532 1 1504 . 1 . 1 143 143 PHE HD1 H 1 7.249 0.01 . 3 . . . . A 163 PHE HD1 . 36532 1 1505 . 1 . 1 143 143 PHE HE1 H 1 6.87 0.01 . 3 . . . . A 163 PHE HE1 . 36532 1 1506 . 1 . 1 143 143 PHE C C 13 175.898 0.2 . 1 . . . . A 163 PHE C . 36532 1 1507 . 1 . 1 143 143 PHE CA C 13 61.658 0.2 . 1 . . . . A 163 PHE CA . 36532 1 1508 . 1 . 1 143 143 PHE CB C 13 39.652 0.2 . 1 . . . . A 163 PHE CB . 36532 1 1509 . 1 . 1 143 143 PHE CD1 C 13 132.283 0.2 . 3 . . . . A 163 PHE CD1 . 36532 1 1510 . 1 . 1 143 143 PHE N N 15 119.352 0.2 . 1 . . . . A 163 PHE N . 36532 1 1511 . 1 . 1 144 144 THR H H 1 8.788 0.01 . 1 . . . . A 164 THR H . 36532 1 1512 . 1 . 1 144 144 THR HA H 1 3.583 0.01 . 1 . . . . A 164 THR HA . 36532 1 1513 . 1 . 1 144 144 THR HB H 1 4.378 0.01 . 1 . . . . A 164 THR HB . 36532 1 1514 . 1 . 1 144 144 THR HG21 H 1 1.316 0.01 . 1 . . . . A 164 THR HG21 . 36532 1 1515 . 1 . 1 144 144 THR HG22 H 1 1.316 0.01 . 1 . . . . A 164 THR HG22 . 36532 1 1516 . 1 . 1 144 144 THR HG23 H 1 1.316 0.01 . 1 . . . . A 164 THR HG23 . 36532 1 1517 . 1 . 1 144 144 THR C C 13 175.384 0.2 . 1 . . . . A 164 THR C . 36532 1 1518 . 1 . 1 144 144 THR CA C 13 67.846 0.2 . 1 . . . . A 164 THR CA . 36532 1 1519 . 1 . 1 144 144 THR CB C 13 68.348 0.2 . 1 . . . . A 164 THR CB . 36532 1 1520 . 1 . 1 144 144 THR CG2 C 13 21.733 0.2 . 1 . . . . A 164 THR CG2 . 36532 1 1521 . 1 . 1 144 144 THR N N 15 117.639 0.2 . 1 . . . . A 164 THR N . 36532 1 1522 . 1 . 1 145 145 ALA H H 1 8.043 0.01 . 1 . . . . A 165 ALA H . 36532 1 1523 . 1 . 1 145 145 ALA HA H 1 4.055 0.01 . 1 . . . . A 165 ALA HA . 36532 1 1524 . 1 . 1 145 145 ALA HB1 H 1 1.523 0.01 . 1 . . . . A 165 ALA HB1 . 36532 1 1525 . 1 . 1 145 145 ALA HB2 H 1 1.523 0.01 . 1 . . . . A 165 ALA HB2 . 36532 1 1526 . 1 . 1 145 145 ALA HB3 H 1 1.523 0.01 . 1 . . . . A 165 ALA HB3 . 36532 1 1527 . 1 . 1 145 145 ALA C C 13 180.47 0.2 . 1 . . . . A 165 ALA C . 36532 1 1528 . 1 . 1 145 145 ALA CA C 13 55.365 0.2 . 1 . . . . A 165 ALA CA . 36532 1 1529 . 1 . 1 145 145 ALA CB C 13 17.989 0.2 . 1 . . . . A 165 ALA CB . 36532 1 1530 . 1 . 1 145 145 ALA N N 15 122.181 0.2 . 1 . . . . A 165 ALA N . 36532 1 1531 . 1 . 1 146 146 PHE H H 1 8.034 0.01 . 1 . . . . A 166 PHE H . 36532 1 1532 . 1 . 1 146 146 PHE HA H 1 4.405 0.01 . 1 . . . . A 166 PHE HA . 36532 1 1533 . 1 . 1 146 146 PHE HB2 H 1 3.12 0.01 . 2 . . . . A 166 PHE HB2 . 36532 1 1534 . 1 . 1 146 146 PHE HB3 H 1 3.401 0.01 . 2 . . . . A 166 PHE HB3 . 36532 1 1535 . 1 . 1 146 146 PHE HD1 H 1 7.245 0.01 . 3 . . . . A 166 PHE HD1 . 36532 1 1536 . 1 . 1 146 146 PHE HE1 H 1 6.856 0.01 . 3 . . . . A 166 PHE HE1 . 36532 1 1537 . 1 . 1 146 146 PHE C C 13 176.33 0.2 . 1 . . . . A 166 PHE C . 36532 1 1538 . 1 . 1 146 146 PHE CA C 13 60.192 0.2 . 1 . . . . A 166 PHE CA . 36532 1 1539 . 1 . 1 146 146 PHE CB C 13 39.739 0.2 . 1 . . . . A 166 PHE CB . 36532 1 1540 . 1 . 1 146 146 PHE CD1 C 13 131.829 0.2 . 3 . . . . A 166 PHE CD1 . 36532 1 1541 . 1 . 1 146 146 PHE N N 15 121.138 0.2 . 1 . . . . A 166 PHE N . 36532 1 1542 . 1 . 1 147 147 ALA H H 1 8.831 0.01 . 1 . . . . A 167 ALA H . 36532 1 1543 . 1 . 1 147 147 ALA HA H 1 3.426 0.01 . 1 . . . . A 167 ALA HA . 36532 1 1544 . 1 . 1 147 147 ALA HB1 H 1 0.809 0.01 . 1 . . . . A 167 ALA HB1 . 36532 1 1545 . 1 . 1 147 147 ALA HB2 H 1 0.809 0.01 . 1 . . . . A 167 ALA HB2 . 36532 1 1546 . 1 . 1 147 147 ALA HB3 H 1 0.809 0.01 . 1 . . . . A 167 ALA HB3 . 36532 1 1547 . 1 . 1 147 147 ALA C C 13 180.226 0.2 . 1 . . . . A 167 ALA C . 36532 1 1548 . 1 . 1 147 147 ALA CA C 13 55.099 0.2 . 1 . . . . A 167 ALA CA . 36532 1 1549 . 1 . 1 147 147 ALA CB C 13 16.877 0.2 . 1 . . . . A 167 ALA CB . 36532 1 1550 . 1 . 1 147 147 ALA N N 15 121.302 0.2 . 1 . . . . A 167 ALA N . 36532 1 1551 . 1 . 1 148 148 LYS H H 1 8.373 0.01 . 1 . . . . A 168 LYS H . 36532 1 1552 . 1 . 1 148 148 LYS HA H 1 4.347 0.01 . 1 . . . . A 168 LYS HA . 36532 1 1553 . 1 . 1 148 148 LYS HB2 H 1 1.802 0.01 . 2 . . . . A 168 LYS HB2 . 36532 1 1554 . 1 . 1 148 148 LYS HG2 H 1 1.343 0.01 . 2 . . . . A 168 LYS HG2 . 36532 1 1555 . 1 . 1 148 148 LYS HG3 H 1 1.652 0.01 . 2 . . . . A 168 LYS HG3 . 36532 1 1556 . 1 . 1 148 148 LYS HD2 H 1 1.632 0.01 . 2 . . . . A 168 LYS HD2 . 36532 1 1557 . 1 . 1 148 148 LYS HE2 H 1 2.843 0.01 . 2 . . . . A 168 LYS HE2 . 36532 1 1558 . 1 . 1 148 148 LYS HE3 H 1 2.91 0.01 . 2 . . . . A 168 LYS HE3 . 36532 1 1559 . 1 . 1 148 148 LYS C C 13 181.051 0.2 . 1 . . . . A 168 LYS C . 36532 1 1560 . 1 . 1 148 148 LYS CA C 13 59.411 0.2 . 1 . . . . A 168 LYS CA . 36532 1 1561 . 1 . 1 148 148 LYS CB C 13 32.09 0.2 . 1 . . . . A 168 LYS CB . 36532 1 1562 . 1 . 1 148 148 LYS CG C 13 25.797 0.2 . 1 . . . . A 168 LYS CG . 36532 1 1563 . 1 . 1 148 148 LYS CD C 13 29.362 0.2 . 1 . . . . A 168 LYS CD . 36532 1 1564 . 1 . 1 148 148 LYS CE C 13 41.688 0.2 . 1 . . . . A 168 LYS CE . 36532 1 1565 . 1 . 1 148 148 LYS N N 15 118.207 0.2 . 1 . . . . A 168 LYS N . 36532 1 1566 . 1 . 1 149 149 ALA H H 1 7.898 0.01 . 1 . . . . A 169 ALA H . 36532 1 1567 . 1 . 1 149 149 ALA HA H 1 4.071 0.01 . 1 . . . . A 169 ALA HA . 36532 1 1568 . 1 . 1 149 149 ALA HB1 H 1 1.465 0.01 . 1 . . . . A 169 ALA HB1 . 36532 1 1569 . 1 . 1 149 149 ALA HB2 H 1 1.465 0.01 . 1 . . . . A 169 ALA HB2 . 36532 1 1570 . 1 . 1 149 149 ALA HB3 H 1 1.465 0.01 . 1 . . . . A 169 ALA HB3 . 36532 1 1571 . 1 . 1 149 149 ALA C C 13 179.053 0.2 . 1 . . . . A 169 ALA C . 36532 1 1572 . 1 . 1 149 149 ALA CA C 13 54.63 0.2 . 1 . . . . A 169 ALA CA . 36532 1 1573 . 1 . 1 149 149 ALA CB C 13 17.56 0.2 . 1 . . . . A 169 ALA CB . 36532 1 1574 . 1 . 1 149 149 ALA N N 15 123.836 0.2 . 1 . . . . A 169 ALA N . 36532 1 1575 . 1 . 1 150 150 GLN H H 1 7.267 0.01 . 1 . . . . A 170 GLN H . 36532 1 1576 . 1 . 1 150 150 GLN HA H 1 4.041 0.01 . 1 . . . . A 170 GLN HA . 36532 1 1577 . 1 . 1 150 150 GLN HB2 H 1 1.453 0.01 . 2 . . . . A 170 GLN HB2 . 36532 1 1578 . 1 . 1 150 150 GLN HB3 H 1 2.036 0.01 . 2 . . . . A 170 GLN HB3 . 36532 1 1579 . 1 . 1 150 150 GLN HG2 H 1 1.307 0.01 . 2 . . . . A 170 GLN HG2 . 36532 1 1580 . 1 . 1 150 150 GLN HG3 H 1 1.785 0.01 . 2 . . . . A 170 GLN HG3 . 36532 1 1581 . 1 . 1 150 150 GLN HE21 H 1 5.888 0.01 . 2 . . . . A 170 GLN HE21 . 36532 1 1582 . 1 . 1 150 150 GLN HE22 H 1 6.359 0.01 . 2 . . . . A 170 GLN HE22 . 36532 1 1583 . 1 . 1 150 150 GLN C C 13 175.48 0.2 . 1 . . . . A 170 GLN C . 36532 1 1584 . 1 . 1 150 150 GLN CA C 13 53.568 0.2 . 1 . . . . A 170 GLN CA . 36532 1 1585 . 1 . 1 150 150 GLN CB C 13 27.658 0.2 . 1 . . . . A 170 GLN CB . 36532 1 1586 . 1 . 1 150 150 GLN CG C 13 32.363 0.2 . 1 . . . . A 170 GLN CG . 36532 1 1587 . 1 . 1 150 150 GLN N N 15 113.767 0.2 . 1 . . . . A 170 GLN N . 36532 1 1588 . 1 . 1 150 150 GLN NE2 N 15 110.536 0.2 . 1 . . . . A 170 GLN NE2 . 36532 1 1589 . 1 . 1 151 151 GLY H H 1 7.603 0.01 . 1 . . . . A 171 GLY H . 36532 1 1590 . 1 . 1 151 151 GLY HA2 H 1 3.522 0.01 . 2 . . . . A 171 GLY HA2 . 36532 1 1591 . 1 . 1 151 151 GLY HA3 H 1 3.924 0.01 . 2 . . . . A 171 GLY HA3 . 36532 1 1592 . 1 . 1 151 151 GLY C C 13 174.512 0.2 . 1 . . . . A 171 GLY C . 36532 1 1593 . 1 . 1 151 151 GLY CA C 13 45.156 0.2 . 1 . . . . A 171 GLY CA . 36532 1 1594 . 1 . 1 151 151 GLY N N 15 106.005 0.2 . 1 . . . . A 171 GLY N . 36532 1 1595 . 1 . 1 152 152 PHE H H 1 7.704 0.01 . 1 . . . . A 172 PHE H . 36532 1 1596 . 1 . 1 152 152 PHE HA H 1 4.777 0.01 . 1 . . . . A 172 PHE HA . 36532 1 1597 . 1 . 1 152 152 PHE HB2 H 1 2.258 0.01 . 2 . . . . A 172 PHE HB2 . 36532 1 1598 . 1 . 1 152 152 PHE HB3 H 1 3.101 0.01 . 2 . . . . A 172 PHE HB3 . 36532 1 1599 . 1 . 1 152 152 PHE HD1 H 1 7.232 0.01 . 3 . . . . A 172 PHE HD1 . 36532 1 1600 . 1 . 1 152 152 PHE HE1 H 1 7.342 0.01 . 1 . . . . A 172 PHE HE1 . 36532 1 1601 . 1 . 1 152 152 PHE C C 13 175.344 0.2 . 1 . . . . A 172 PHE C . 36532 1 1602 . 1 . 1 152 152 PHE CA C 13 57.049 0.2 . 1 . . . . A 172 PHE CA . 36532 1 1603 . 1 . 1 152 152 PHE CB C 13 37.41 0.2 . 1 . . . . A 172 PHE CB . 36532 1 1604 . 1 . 1 152 152 PHE CD1 C 13 131.707 0.2 . 3 . . . . A 172 PHE CD1 . 36532 1 1605 . 1 . 1 152 152 PHE CE1 C 13 131.714 0.2 . 3 . . . . A 172 PHE CE1 . 36532 1 1606 . 1 . 1 152 152 PHE N N 15 120.011 0.2 . 1 . . . . A 172 PHE N . 36532 1 1607 . 1 . 1 153 153 THR H H 1 7.953 0.01 . 1 . . . . A 173 THR H . 36532 1 1608 . 1 . 1 153 153 THR HA H 1 4.486 0.01 . 1 . . . . A 173 THR HA . 36532 1 1609 . 1 . 1 153 153 THR HB H 1 4.568 0.01 . 1 . . . . A 173 THR HB . 36532 1 1610 . 1 . 1 153 153 THR HG21 H 1 1.285 0.01 . 1 . . . . A 173 THR HG21 . 36532 1 1611 . 1 . 1 153 153 THR HG22 H 1 1.285 0.01 . 1 . . . . A 173 THR HG22 . 36532 1 1612 . 1 . 1 153 153 THR HG23 H 1 1.285 0.01 . 1 . . . . A 173 THR HG23 . 36532 1 1613 . 1 . 1 153 153 THR C C 13 177.197 0.2 . 1 . . . . A 173 THR C . 36532 1 1614 . 1 . 1 153 153 THR CA C 13 60.64 0.2 . 1 . . . . A 173 THR CA . 36532 1 1615 . 1 . 1 153 153 THR CB C 13 70.225 0.2 . 1 . . . . A 173 THR CB . 36532 1 1616 . 1 . 1 153 153 THR CG2 C 13 22.392 0.2 . 1 . . . . A 173 THR CG2 . 36532 1 1617 . 1 . 1 153 153 THR N N 15 111.278 0.2 . 1 . . . . A 173 THR N . 36532 1 1618 . 1 . 1 154 154 GLU H H 1 9.356 0.01 . 1 . . . . A 174 GLU H . 36532 1 1619 . 1 . 1 154 154 GLU HA H 1 3.904 0.01 . 1 . . . . A 174 GLU HA . 36532 1 1620 . 1 . 1 154 154 GLU HB2 H 1 2.15 0.01 . 2 . . . . A 174 GLU HB2 . 36532 1 1621 . 1 . 1 154 154 GLU HG2 H 1 2.432 0.01 . 2 . . . . A 174 GLU HG2 . 36532 1 1622 . 1 . 1 154 154 GLU C C 13 177.035 0.2 . 1 . . . . A 174 GLU C . 36532 1 1623 . 1 . 1 154 154 GLU CA C 13 60.316 0.2 . 1 . . . . A 174 GLU CA . 36532 1 1624 . 1 . 1 154 154 GLU CB C 13 29.212 0.2 . 1 . . . . A 174 GLU CB . 36532 1 1625 . 1 . 1 154 154 GLU CG C 13 36.139 0.2 . 1 . . . . A 174 GLU CG . 36532 1 1626 . 1 . 1 154 154 GLU N N 15 121.37 0.2 . 1 . . . . A 174 GLU N . 36532 1 1627 . 1 . 1 155 155 ASP H H 1 8.684 0.01 . 1 . . . . A 175 ASP H . 36532 1 1628 . 1 . 1 155 155 ASP HA H 1 4.539 0.01 . 1 . . . . A 175 ASP HA . 36532 1 1629 . 1 . 1 155 155 ASP HB2 H 1 2.747 0.01 . 2 . . . . A 175 ASP HB2 . 36532 1 1630 . 1 . 1 155 155 ASP C C 13 176.534 0.2 . 1 . . . . A 175 ASP C . 36532 1 1631 . 1 . 1 155 155 ASP CA C 13 55.243 0.2 . 1 . . . . A 175 ASP CA . 36532 1 1632 . 1 . 1 155 155 ASP CB C 13 39.838 0.2 . 1 . . . . A 175 ASP CB . 36532 1 1633 . 1 . 1 155 155 ASP N N 15 114.548 0.2 . 1 . . . . A 175 ASP N . 36532 1 1634 . 1 . 1 156 156 THR H H 1 8.041 0.01 . 1 . . . . A 176 THR H . 36532 1 1635 . 1 . 1 156 156 THR HA H 1 4.386 0.01 . 1 . . . . A 176 THR HA . 36532 1 1636 . 1 . 1 156 156 THR HB H 1 4.874 0.01 . 1 . . . . A 176 THR HB . 36532 1 1637 . 1 . 1 156 156 THR HG21 H 1 1.16 0.01 . 1 . . . . A 176 THR HG21 . 36532 1 1638 . 1 . 1 156 156 THR HG22 H 1 1.16 0.01 . 1 . . . . A 176 THR HG22 . 36532 1 1639 . 1 . 1 156 156 THR HG23 H 1 1.16 0.01 . 1 . . . . A 176 THR HG23 . 36532 1 1640 . 1 . 1 156 156 THR C C 13 172.068 0.2 . 1 . . . . A 176 THR C . 36532 1 1641 . 1 . 1 156 156 THR CA C 13 61.191 0.2 . 1 . . . . A 176 THR CA . 36532 1 1642 . 1 . 1 156 156 THR CB C 13 69.416 0.2 . 1 . . . . A 176 THR CB . 36532 1 1643 . 1 . 1 156 156 THR CG2 C 13 22.369 0.2 . 1 . . . . A 176 THR CG2 . 36532 1 1644 . 1 . 1 156 156 THR N N 15 109.754 0.2 . 1 . . . . A 176 THR N . 36532 1 1645 . 1 . 1 157 157 ILE H H 1 6.866 0.01 . 1 . . . . A 177 ILE H . 36532 1 1646 . 1 . 1 157 157 ILE HA H 1 4.309 0.01 . 1 . . . . A 177 ILE HA . 36532 1 1647 . 1 . 1 157 157 ILE HB H 1 1.745 0.01 . 1 . . . . A 177 ILE HB . 36532 1 1648 . 1 . 1 157 157 ILE HG12 H 1 0.399 0.01 . 2 . . . . A 177 ILE HG12 . 36532 1 1649 . 1 . 1 157 157 ILE HG13 H 1 1.78 0.01 . 2 . . . . A 177 ILE HG13 . 36532 1 1650 . 1 . 1 157 157 ILE HG21 H 1 0.536 0.01 . 4 2 . . . A 177 ILE HG21 . 36532 1 1651 . 1 . 1 157 157 ILE HG22 H 1 0.536 0.01 . 4 2 . . . A 177 ILE HG22 . 36532 1 1652 . 1 . 1 157 157 ILE HG23 H 1 0.536 0.01 . 4 2 . . . A 177 ILE HG23 . 36532 1 1653 . 1 . 1 157 157 ILE HD11 H 1 0.735 0.01 . 4 2 . . . A 177 ILE HD11 . 36532 1 1654 . 1 . 1 157 157 ILE HD12 H 1 0.735 0.01 . 4 2 . . . A 177 ILE HD12 . 36532 1 1655 . 1 . 1 157 157 ILE HD13 H 1 0.735 0.01 . 4 2 . . . A 177 ILE HD13 . 36532 1 1656 . 1 . 1 157 157 ILE C C 13 175.554 0.2 . 1 . . . . A 177 ILE C . 36532 1 1657 . 1 . 1 157 157 ILE CA C 13 61.39 0.2 . 1 . . . . A 177 ILE CA . 36532 1 1658 . 1 . 1 157 157 ILE CB C 13 38.895 0.2 . 1 . . . . A 177 ILE CB . 36532 1 1659 . 1 . 1 157 157 ILE CG1 C 13 27.506 0.2 . 1 . . . . A 177 ILE CG1 . 36532 1 1660 . 1 . 1 157 157 ILE CG2 C 13 17.718 0.2 . 1 . . . . A 177 ILE CG2 . 36532 1 1661 . 1 . 1 157 157 ILE CD1 C 13 15.447 0.2 . 1 . . . . A 177 ILE CD1 . 36532 1 1662 . 1 . 1 157 157 ILE N N 15 120.62 0.2 . 1 . . . . A 177 ILE N . 36532 1 1663 . 1 . 1 158 158 VAL H H 1 9.195 0.01 . 1 . . . . A 178 VAL H . 36532 1 1664 . 1 . 1 158 158 VAL HA H 1 4.42 0.01 . 1 . . . . A 178 VAL HA . 36532 1 1665 . 1 . 1 158 158 VAL HB H 1 1.905 0.01 . 1 . . . . A 178 VAL HB . 36532 1 1666 . 1 . 1 158 158 VAL HG11 H 1 0.833 0.01 . 2 . . . . A 178 VAL HG11 . 36532 1 1667 . 1 . 1 158 158 VAL HG12 H 1 0.833 0.01 . 2 . . . . A 178 VAL HG12 . 36532 1 1668 . 1 . 1 158 158 VAL HG13 H 1 0.833 0.01 . 2 . . . . A 178 VAL HG13 . 36532 1 1669 . 1 . 1 158 158 VAL HG21 H 1 0.85 0.01 . 2 . . . . A 178 VAL HG21 . 36532 1 1670 . 1 . 1 158 158 VAL HG22 H 1 0.85 0.01 . 2 . . . . A 178 VAL HG22 . 36532 1 1671 . 1 . 1 158 158 VAL HG23 H 1 0.85 0.01 . 2 . . . . A 178 VAL HG23 . 36532 1 1672 . 1 . 1 158 158 VAL C C 13 173.92 0.2 . 1 . . . . A 178 VAL C . 36532 1 1673 . 1 . 1 158 158 VAL CA C 13 60.324 0.2 . 1 . . . . A 178 VAL CA . 36532 1 1674 . 1 . 1 158 158 VAL CB C 13 35.558 0.2 . 1 . . . . A 178 VAL CB . 36532 1 1675 . 1 . 1 158 158 VAL CG1 C 13 21.003 0.2 . 2 . . . . A 178 VAL CG1 . 36532 1 1676 . 1 . 1 158 158 VAL CG2 C 13 21.194 0.2 . 2 . . . . A 178 VAL CG2 . 36532 1 1677 . 1 . 1 158 158 VAL N N 15 127.277 0.2 . 1 . . . . A 178 VAL N . 36532 1 1678 . 1 . 1 159 159 PHE H H 1 8.737 0.01 . 1 . . . . A 179 PHE H . 36532 1 1679 . 1 . 1 159 159 PHE HA H 1 5.152 0.01 . 1 . . . . A 179 PHE HA . 36532 1 1680 . 1 . 1 159 159 PHE HB2 H 1 2.891 0.01 . 2 . . . . A 179 PHE HB2 . 36532 1 1681 . 1 . 1 159 159 PHE HB3 H 1 3.248 0.01 . 2 . . . . A 179 PHE HB3 . 36532 1 1682 . 1 . 1 159 159 PHE HD2 H 1 7.369 0.01 . 3 . . . . A 179 PHE HD2 . 36532 1 1683 . 1 . 1 159 159 PHE C C 13 175.79 0.2 . 1 . . . . A 179 PHE C . 36532 1 1684 . 1 . 1 159 159 PHE CA C 13 57.818 0.2 . 1 . . . . A 179 PHE CA . 36532 1 1685 . 1 . 1 159 159 PHE CB C 13 39.401 0.2 . 1 . . . . A 179 PHE CB . 36532 1 1686 . 1 . 1 159 159 PHE CD1 C 13 132.017 0.2 . 3 . . . . A 179 PHE CD1 . 36532 1 1687 . 1 . 1 159 159 PHE N N 15 124.074 0.2 . 1 . . . . A 179 PHE N . 36532 1 1688 . 1 . 1 160 160 LEU H H 1 7.79 0.01 . 1 . . . . A 180 LEU H . 36532 1 1689 . 1 . 1 160 160 LEU HA H 1 4.671 0.01 . 1 . . . . A 180 LEU HA . 36532 1 1690 . 1 . 1 160 160 LEU HB2 H 1 1.409 0.01 . 2 . . . . A 180 LEU HB2 . 36532 1 1691 . 1 . 1 160 160 LEU HB3 H 1 1.764 0.01 . 2 . . . . A 180 LEU HB3 . 36532 1 1692 . 1 . 1 160 160 LEU HG H 1 1.467 0.01 . 1 . . . . A 180 LEU HG . 36532 1 1693 . 1 . 1 160 160 LEU HD11 H 1 0.735 0.01 . 2 . . . . A 180 LEU HD11 . 36532 1 1694 . 1 . 1 160 160 LEU HD12 H 1 0.735 0.01 . 2 . . . . A 180 LEU HD12 . 36532 1 1695 . 1 . 1 160 160 LEU HD13 H 1 0.735 0.01 . 2 . . . . A 180 LEU HD13 . 36532 1 1696 . 1 . 1 160 160 LEU HD21 H 1 0.791 0.01 . 2 . . . . A 180 LEU HD21 . 36532 1 1697 . 1 . 1 160 160 LEU HD22 H 1 0.791 0.01 . 2 . . . . A 180 LEU HD22 . 36532 1 1698 . 1 . 1 160 160 LEU HD23 H 1 0.791 0.01 . 2 . . . . A 180 LEU HD23 . 36532 1 1699 . 1 . 1 160 160 LEU CA C 13 51.855 0.2 . 1 . . . . A 180 LEU CA . 36532 1 1700 . 1 . 1 160 160 LEU CB C 13 41.162 0.2 . 1 . . . . A 180 LEU CB . 36532 1 1701 . 1 . 1 160 160 LEU CG C 13 27.908 0.2 . 1 . . . . A 180 LEU CG . 36532 1 1702 . 1 . 1 160 160 LEU CD1 C 13 24.05 0.2 . 2 . . . . A 180 LEU CD1 . 36532 1 1703 . 1 . 1 160 160 LEU CD2 C 13 24.642 0.2 . 2 . . . . A 180 LEU CD2 . 36532 1 1704 . 1 . 1 160 160 LEU N N 15 125.844 0.2 . 1 . . . . A 180 LEU N . 36532 1 1705 . 1 . 1 161 161 PRO HA H 1 4.596 0.01 . 1 . . . . A 181 PRO HA . 36532 1 1706 . 1 . 1 161 161 PRO HB2 H 1 2.06 0.01 . 2 . . . . A 181 PRO HB2 . 36532 1 1707 . 1 . 1 161 161 PRO HG2 H 1 2.146 0.01 . 2 . . . . A 181 PRO HG2 . 36532 1 1708 . 1 . 1 161 161 PRO HD2 H 1 3.938 0.01 . 2 . . . . A 181 PRO HD2 . 36532 1 1709 . 1 . 1 161 161 PRO C C 13 176.284 0.2 . 1 . . . . A 181 PRO C . 36532 1 1710 . 1 . 1 161 161 PRO CA C 13 62.146 0.2 . 1 . . . . A 181 PRO CA . 36532 1 1711 . 1 . 1 161 161 PRO CB C 13 32.466 0.2 . 1 . . . . A 181 PRO CB . 36532 1 1712 . 1 . 1 161 161 PRO CG C 13 27.246 0.2 . 1 . . . . A 181 PRO CG . 36532 1 1713 . 1 . 1 161 161 PRO CD C 13 50.765 0.2 . 1 . . . . A 181 PRO CD . 36532 1 1714 . 1 . 1 162 162 GLN H H 1 8.343 0.01 . 1 . . . . A 182 GLN H . 36532 1 1715 . 1 . 1 162 162 GLN HA H 1 4.353 0.01 . 1 . . . . A 182 GLN HA . 36532 1 1716 . 1 . 1 162 162 GLN HB2 H 1 1.948 0.01 . 2 . . . . A 182 GLN HB2 . 36532 1 1717 . 1 . 1 162 162 GLN HG2 H 1 2.287 0.01 . 2 . . . . A 182 GLN HG2 . 36532 1 1718 . 1 . 1 162 162 GLN HE21 H 1 6.684 0.01 . 2 . . . . A 182 GLN HE21 . 36532 1 1719 . 1 . 1 162 162 GLN HE22 H 1 7.291 0.01 . 2 . . . . A 182 GLN HE22 . 36532 1 1720 . 1 . 1 162 162 GLN C C 13 175.469 0.2 . 1 . . . . A 182 GLN C . 36532 1 1721 . 1 . 1 162 162 GLN CA C 13 56.571 0.2 . 1 . . . . A 182 GLN CA . 36532 1 1722 . 1 . 1 162 162 GLN CB C 13 28.955 0.2 . 1 . . . . A 182 GLN CB . 36532 1 1723 . 1 . 1 162 162 GLN CG C 13 33.59 0.2 . 1 . . . . A 182 GLN CG . 36532 1 1724 . 1 . 1 162 162 GLN N N 15 119.964 0.2 . 1 . . . . A 182 GLN N . 36532 1 1725 . 1 . 1 162 162 GLN NE2 N 15 111.311 0.2 . 1 . . . . A 182 GLN NE2 . 36532 1 1726 . 1 . 1 163 163 THR H H 1 8.309 0.01 . 1 . . . . A 183 THR H . 36532 1 1727 . 1 . 1 163 163 THR HA H 1 4.667 0.01 . 1 . . . . A 183 THR HA . 36532 1 1728 . 1 . 1 163 163 THR HB H 1 4.256 0.01 . 1 . . . . A 183 THR HB . 36532 1 1729 . 1 . 1 163 163 THR HG21 H 1 1.331 0.01 . 1 . . . . A 183 THR HG21 . 36532 1 1730 . 1 . 1 163 163 THR HG22 H 1 1.331 0.01 . 1 . . . . A 183 THR HG22 . 36532 1 1731 . 1 . 1 163 163 THR HG23 H 1 1.331 0.01 . 1 . . . . A 183 THR HG23 . 36532 1 1732 . 1 . 1 163 163 THR C C 13 172.018 0.2 . 1 . . . . A 183 THR C . 36532 1 1733 . 1 . 1 163 163 THR CA C 13 60.124 0.2 . 1 . . . . A 183 THR CA . 36532 1 1734 . 1 . 1 163 163 THR CB C 13 69.947 0.2 . 1 . . . . A 183 THR CB . 36532 1 1735 . 1 . 1 163 163 THR CG2 C 13 20.537 0.2 . 1 . . . . A 183 THR CG2 . 36532 1 1736 . 1 . 1 163 163 THR N N 15 117.071 0.2 . 1 . . . . A 183 THR N . 36532 1 1737 . 1 . 1 164 164 ASP H H 1 8.363 0.01 . 1 . . . . A 184 ASP H . 36532 1 1738 . 1 . 1 164 164 ASP HA H 1 4.771 0.01 . 1 . . . . A 184 ASP HA . 36532 1 1739 . 1 . 1 164 164 ASP HB2 H 1 2.726 0.01 . 2 . . . . A 184 ASP HB2 . 36532 1 1740 . 1 . 1 164 164 ASP HB3 H 1 2.757 0.01 . 2 . . . . A 184 ASP HB3 . 36532 1 1741 . 1 . 1 164 164 ASP C C 13 177.295 0.2 . 1 . . . . A 184 ASP C . 36532 1 1742 . 1 . 1 164 164 ASP CA C 13 53.874 0.2 . 1 . . . . A 184 ASP CA . 36532 1 1743 . 1 . 1 164 164 ASP CB C 13 41.07 0.2 . 1 . . . . A 184 ASP CB . 36532 1 1744 . 1 . 1 164 164 ASP N N 15 122.524 0.2 . 1 . . . . A 184 ASP N . 36532 1 1745 . 1 . 1 165 165 LYS H H 1 8.251 0.01 . 1 . . . . A 185 LYS H . 36532 1 1746 . 1 . 1 165 165 LYS HA H 1 4.256 0.01 . 1 . . . . A 185 LYS HA . 36532 1 1747 . 1 . 1 165 165 LYS HB2 H 1 1.841 0.01 . 2 . . . . A 185 LYS HB2 . 36532 1 1748 . 1 . 1 165 165 LYS HG2 H 1 1.529 0.01 . 2 . . . . A 185 LYS HG2 . 36532 1 1749 . 1 . 1 165 165 LYS HD2 H 1 1.666 0.01 . 2 . . . . A 185 LYS HD2 . 36532 1 1750 . 1 . 1 165 165 LYS HE2 H 1 2.974 0.01 . 1 . . . . A 185 LYS HE2 . 36532 1 1751 . 1 . 1 165 165 LYS C C 13 176.82 0.2 . 1 . . . . A 185 LYS C . 36532 1 1752 . 1 . 1 165 165 LYS CA C 13 57.048 0.2 . 1 . . . . A 185 LYS CA . 36532 1 1753 . 1 . 1 165 165 LYS CB C 13 33.178 0.2 . 1 . . . . A 185 LYS CB . 36532 1 1754 . 1 . 1 165 165 LYS CG C 13 24.889 0.2 . 1 . . . . A 185 LYS CG . 36532 1 1755 . 1 . 1 165 165 LYS CD C 13 28.799 0.2 . 1 . . . . A 185 LYS CD . 36532 1 1756 . 1 . 1 165 165 LYS CE C 13 41.981 0.2 . 1 . . . . A 185 LYS CE . 36532 1 1757 . 1 . 1 165 165 LYS N N 15 122.634 0.2 . 1 . . . . A 185 LYS N . 36532 1 1758 . 1 . 1 166 166 CYS H H 1 8.936 0.01 . 1 . . . . A 186 CYS H . 36532 1 1759 . 1 . 1 166 166 CYS HA H 1 4.43 0.01 . 1 . . . . A 186 CYS HA . 36532 1 1760 . 1 . 1 166 166 CYS HB2 H 1 3.098 0.01 . 2 . . . . A 186 CYS HB2 . 36532 1 1761 . 1 . 1 166 166 CYS HB3 H 1 3.159 0.01 . 2 . . . . A 186 CYS HB3 . 36532 1 1762 . 1 . 1 166 166 CYS C C 13 175.382 0.2 . 1 . . . . A 186 CYS C . 36532 1 1763 . 1 . 1 166 166 CYS CA C 13 55.648 0.2 . 1 . . . . A 186 CYS CA . 36532 1 1764 . 1 . 1 166 166 CYS CB C 13 35.675 0.2 . 1 . . . . A 186 CYS CB . 36532 1 1765 . 1 . 1 166 166 CYS N N 15 113.754 0.2 . 1 . . . . A 186 CYS N . 36532 1 1766 . 1 . 1 167 167 MET H H 1 7.931 0.01 . 1 . . . . A 187 MET H . 36532 1 1767 . 1 . 1 167 167 MET HA H 1 4.666 0.01 . 1 . . . . A 187 MET HA . 36532 1 1768 . 1 . 1 167 167 MET HB2 H 1 2.105 0.01 . 2 . . . . A 187 MET HB2 . 36532 1 1769 . 1 . 1 167 167 MET HB3 H 1 2.178 0.01 . 2 . . . . A 187 MET HB3 . 36532 1 1770 . 1 . 1 167 167 MET HG2 H 1 2.407 0.01 . 2 . . . . A 187 MET HG2 . 36532 1 1771 . 1 . 1 167 167 MET HG3 H 1 2.922 0.01 . 2 . . . . A 187 MET HG3 . 36532 1 1772 . 1 . 1 167 167 MET C C 13 176.972 0.2 . 1 . . . . A 187 MET C . 36532 1 1773 . 1 . 1 167 167 MET CA C 13 55.255 0.2 . 1 . . . . A 187 MET CA . 36532 1 1774 . 1 . 1 167 167 MET CB C 13 34.719 0.2 . 1 . . . . A 187 MET CB . 36532 1 1775 . 1 . 1 167 167 MET CG C 13 32.71 0.2 . 1 . . . . A 187 MET CG . 36532 1 1776 . 1 . 1 167 167 MET N N 15 117.436 0.2 . 1 . . . . A 187 MET N . 36532 1 1777 . 1 . 1 168 168 THR H H 1 7.892 0.01 . 1 . . . . A 188 THR H . 36532 1 1778 . 1 . 1 168 168 THR HA H 1 4.411 0.01 . 1 . . . . A 188 THR HA . 36532 1 1779 . 1 . 1 168 168 THR HB H 1 4.32 0.01 . 1 . . . . A 188 THR HB . 36532 1 1780 . 1 . 1 168 168 THR HG21 H 1 1.212 0.01 . 1 . . . . A 188 THR HG21 . 36532 1 1781 . 1 . 1 168 168 THR HG22 H 1 1.212 0.01 . 1 . . . . A 188 THR HG22 . 36532 1 1782 . 1 . 1 168 168 THR HG23 H 1 1.212 0.01 . 1 . . . . A 188 THR HG23 . 36532 1 1783 . 1 . 1 168 168 THR C C 13 174.422 0.2 . 1 . . . . A 188 THR C . 36532 1 1784 . 1 . 1 168 168 THR CA C 13 61.331 0.2 . 1 . . . . A 188 THR CA . 36532 1 1785 . 1 . 1 168 168 THR CB C 13 69.718 0.2 . 1 . . . . A 188 THR CB . 36532 1 1786 . 1 . 1 168 168 THR CG2 C 13 21.788 0.2 . 1 . . . . A 188 THR CG2 . 36532 1 1787 . 1 . 1 168 168 THR N N 15 112.172 0.2 . 1 . . . . A 188 THR N . 36532 1 1788 . 1 . 1 169 169 GLU H H 1 8.405 0.01 . 1 . . . . A 189 GLU H . 36532 1 1789 . 1 . 1 169 169 GLU HA H 1 4.309 0.01 . 1 . . . . A 189 GLU HA . 36532 1 1790 . 1 . 1 169 169 GLU HB2 H 1 2.102 0.01 . 2 . . . . A 189 GLU HB2 . 36532 1 1791 . 1 . 1 169 169 GLU HG2 H 1 2.322 0.01 . 2 . . . . A 189 GLU HG2 . 36532 1 1792 . 1 . 1 169 169 GLU CA C 13 56.519 0.2 . 1 . . . . A 189 GLU CA . 36532 1 1793 . 1 . 1 169 169 GLU CB C 13 29.889 0.2 . 1 . . . . A 189 GLU CB . 36532 1 1794 . 1 . 1 169 169 GLU CG C 13 35.51 0.2 . 1 . . . . A 189 GLU CG . 36532 1 1795 . 1 . 1 169 169 GLU N N 15 122.904 0.2 . 1 . . . . A 189 GLU N . 36532 1 1796 . 1 . 1 170 170 GLN H H 1 7.985 0.01 . 1 . . . . A 190 GLN H . 36532 1 1797 . 1 . 1 170 170 GLN HA H 1 4.142 0.01 . 1 . . . . A 190 GLN HA . 36532 1 1798 . 1 . 1 170 170 GLN HB2 H 1 1.935 0.01 . 2 . . . . A 190 GLN HB2 . 36532 1 1799 . 1 . 1 170 170 GLN HB3 H 1 2.091 0.01 . 2 . . . . A 190 GLN HB3 . 36532 1 1800 . 1 . 1 170 170 GLN HG2 H 1 2.265 0.01 . 2 . . . . A 190 GLN HG2 . 36532 1 1801 . 1 . 1 170 170 GLN HE21 H 1 6.738 0.01 . 2 . . . . A 190 GLN HE21 . 36532 1 1802 . 1 . 1 170 170 GLN HE22 H 1 7.47 0.01 . 2 . . . . A 190 GLN HE22 . 36532 1 1803 . 1 . 1 170 170 GLN CA C 13 57.197 0.2 . 1 . . . . A 190 GLN CA . 36532 1 1804 . 1 . 1 170 170 GLN CB C 13 30.312 0.2 . 1 . . . . A 190 GLN CB . 36532 1 1805 . 1 . 1 170 170 GLN CG C 13 34.27 0.2 . 1 . . . . A 190 GLN CG . 36532 1 1806 . 1 . 1 170 170 GLN N N 15 125.617 0.2 . 1 . . . . A 190 GLN N . 36532 1 1807 . 1 . 1 170 170 GLN NE2 N 15 112.043 0.2 . 1 . . . . A 190 GLN NE2 . 36532 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 979 36532 1 2 1650 36532 1 2 1651 36532 1 2 1652 36532 1 2 1653 36532 1 2 1654 36532 1 2 1655 36532 1 stop_ save_