data_51128 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51128 _Entry.Title ; 1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/PGJ2 complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-06 _Entry.Accession_date 2021-10-06 _Entry.Last_release_date 2021-10-06 _Entry.Original_release_date 2021-10-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Shigeru Shimamoto . . . 0000-0002-9470-0352 51128 2 Yuta Nakahata . . . . 51128 3 Yuji Hidaka . . . . 51128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 51128 '15N chemical shifts' 135 51128 '1H chemical shifts' 804 51128 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 2 . . 2022-09-28 2021-10-06 update BMRB 'update entry citation' 51128 1 . . 2022-05-05 2021-10-06 original author 'original release' 51128 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51128 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35445291 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of mouse lipocalin-type prostaglandin D synthase/prostaglandin J 2 complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 225 _Citation.Page_last 229 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shigeru Shimamoto S. . . . 51128 1 2 Yuta Nakahata Y. . . . 51128 1 3 Yuji Hidaka Y. . . . 51128 1 4 Takuya Yoshida T. . . . 51128 1 5 Tadayasu Ohkubo T. . . . 51128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51128 _Assembly.ID 1 _Assembly.Name 'mouse lipocalin-type prostaglandin D synthase/PGJ2 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 polypeptide 1 $entity_1 . . yes native no no . . . 51128 1 2 ligand 2 $entity_PGJ . . no native no no . . . 51128 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 single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 162 162 SG . . . 89 CYS SG . . . 186 CYS SG 51128 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 51128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGHDTVQPNFQQDKFLGRWY SAGLASNSSWFREKKAVLYM CKTVVAPSTEGGLNLTSTFL RKNQCETKIMVLQPAGAPGH YTYSSPHSGSIHSVSVVEAN YDEYALLFSRGTKGPGQDFR MATLYSRTQTLKDELKEKFT TFSKAQGLTEEDIVFLPQPD KCIQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Prostaglandin D synthase' 51128 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 25 GLN . 51128 1 2 26 GLY . 51128 1 3 27 HIS . 51128 1 4 28 ASP . 51128 1 5 29 THR . 51128 1 6 30 VAL . 51128 1 7 31 GLN . 51128 1 8 32 PRO . 51128 1 9 33 ASN . 51128 1 10 34 PHE . 51128 1 11 35 GLN . 51128 1 12 36 GLN . 51128 1 13 37 ASP . 51128 1 14 38 LYS . 51128 1 15 39 PHE . 51128 1 16 40 LEU . 51128 1 17 41 GLY . 51128 1 18 42 ARG . 51128 1 19 43 TRP . 51128 1 20 44 TYR . 51128 1 21 45 SER . 51128 1 22 46 ALA . 51128 1 23 47 GLY . 51128 1 24 48 LEU . 51128 1 25 49 ALA . 51128 1 26 50 SER . 51128 1 27 51 ASN . 51128 1 28 52 SER . 51128 1 29 53 SER . 51128 1 30 54 TRP . 51128 1 31 55 PHE . 51128 1 32 56 ARG . 51128 1 33 57 GLU . 51128 1 34 58 LYS . 51128 1 35 59 LYS . 51128 1 36 60 ALA . 51128 1 37 61 VAL . 51128 1 38 62 LEU . 51128 1 39 63 TYR . 51128 1 40 64 MET . 51128 1 41 65 CYS . 51128 1 42 66 LYS . 51128 1 43 67 THR . 51128 1 44 68 VAL . 51128 1 45 69 VAL . 51128 1 46 70 ALA . 51128 1 47 71 PRO . 51128 1 48 72 SER . 51128 1 49 73 THR . 51128 1 50 74 GLU . 51128 1 51 75 GLY . 51128 1 52 76 GLY . 51128 1 53 77 LEU . 51128 1 54 78 ASN . 51128 1 55 79 LEU . 51128 1 56 80 THR . 51128 1 57 81 SER . 51128 1 58 82 THR . 51128 1 59 83 PHE . 51128 1 60 84 LEU . 51128 1 61 85 ARG . 51128 1 62 86 LYS . 51128 1 63 87 ASN . 51128 1 64 88 GLN . 51128 1 65 89 CYS . 51128 1 66 90 GLU . 51128 1 67 91 THR . 51128 1 68 92 LYS . 51128 1 69 93 ILE . 51128 1 70 94 MET . 51128 1 71 95 VAL . 51128 1 72 96 LEU . 51128 1 73 97 GLN . 51128 1 74 98 PRO . 51128 1 75 99 ALA . 51128 1 76 100 GLY . 51128 1 77 101 ALA . 51128 1 78 102 PRO . 51128 1 79 103 GLY . 51128 1 80 104 HIS . 51128 1 81 105 TYR . 51128 1 82 106 THR . 51128 1 83 107 TYR . 51128 1 84 108 SER . 51128 1 85 109 SER . 51128 1 86 110 PRO . 51128 1 87 111 HIS . 51128 1 88 112 SER . 51128 1 89 113 GLY . 51128 1 90 114 SER . 51128 1 91 115 ILE . 51128 1 92 116 HIS . 51128 1 93 117 SER . 51128 1 94 118 VAL . 51128 1 95 119 SER . 51128 1 96 120 VAL . 51128 1 97 121 VAL . 51128 1 98 122 GLU . 51128 1 99 123 ALA . 51128 1 100 124 ASN . 51128 1 101 125 TYR . 51128 1 102 126 ASP . 51128 1 103 127 GLU . 51128 1 104 128 TYR . 51128 1 105 129 ALA . 51128 1 106 130 LEU . 51128 1 107 131 LEU . 51128 1 108 132 PHE . 51128 1 109 133 SER . 51128 1 110 134 ARG . 51128 1 111 135 GLY . 51128 1 112 136 THR . 51128 1 113 137 LYS . 51128 1 114 138 GLY . 51128 1 115 139 PRO . 51128 1 116 140 GLY . 51128 1 117 141 GLN . 51128 1 118 142 ASP . 51128 1 119 143 PHE . 51128 1 120 144 ARG . 51128 1 121 145 MET . 51128 1 122 146 ALA . 51128 1 123 147 THR . 51128 1 124 148 LEU . 51128 1 125 149 TYR . 51128 1 126 150 SER . 51128 1 127 151 ARG . 51128 1 128 152 THR . 51128 1 129 153 GLN . 51128 1 130 154 THR . 51128 1 131 155 LEU . 51128 1 132 156 LYS . 51128 1 133 157 ASP . 51128 1 134 158 GLU . 51128 1 135 159 LEU . 51128 1 136 160 LYS . 51128 1 137 161 GLU . 51128 1 138 162 LYS . 51128 1 139 163 PHE . 51128 1 140 164 THR . 51128 1 141 165 THR . 51128 1 142 166 PHE . 51128 1 143 167 SER . 51128 1 144 168 LYS . 51128 1 145 169 ALA . 51128 1 146 170 GLN . 51128 1 147 171 GLY . 51128 1 148 172 LEU . 51128 1 149 173 THR . 51128 1 150 174 GLU . 51128 1 151 175 GLU . 51128 1 152 176 ASP . 51128 1 153 177 ILE . 51128 1 154 178 VAL . 51128 1 155 179 PHE . 51128 1 156 180 LEU . 51128 1 157 181 PRO . 51128 1 158 182 GLN . 51128 1 159 183 PRO . 51128 1 160 184 ASP . 51128 1 161 185 LYS . 51128 1 162 186 CYS . 51128 1 163 187 ILE . 51128 1 164 188 GLN . 51128 1 165 189 GLU . 51128 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 . GLN 1 1 51128 1 . GLY 2 2 51128 1 . HIS 3 3 51128 1 . ASP 4 4 51128 1 . THR 5 5 51128 1 . VAL 6 6 51128 1 . GLN 7 7 51128 1 . PRO 8 8 51128 1 . ASN 9 9 51128 1 . PHE 10 10 51128 1 . GLN 11 11 51128 1 . GLN 12 12 51128 1 . ASP 13 13 51128 1 . LYS 14 14 51128 1 . PHE 15 15 51128 1 . LEU 16 16 51128 1 . GLY 17 17 51128 1 . ARG 18 18 51128 1 . TRP 19 19 51128 1 . TYR 20 20 51128 1 . SER 21 21 51128 1 . ALA 22 22 51128 1 . GLY 23 23 51128 1 . LEU 24 24 51128 1 . ALA 25 25 51128 1 . SER 26 26 51128 1 . ASN 27 27 51128 1 . SER 28 28 51128 1 . SER 29 29 51128 1 . TRP 30 30 51128 1 . PHE 31 31 51128 1 . ARG 32 32 51128 1 . GLU 33 33 51128 1 . LYS 34 34 51128 1 . LYS 35 35 51128 1 . ALA 36 36 51128 1 . VAL 37 37 51128 1 . LEU 38 38 51128 1 . TYR 39 39 51128 1 . MET 40 40 51128 1 . CYS 41 41 51128 1 . LYS 42 42 51128 1 . THR 43 43 51128 1 . VAL 44 44 51128 1 . VAL 45 45 51128 1 . ALA 46 46 51128 1 . PRO 47 47 51128 1 . SER 48 48 51128 1 . THR 49 49 51128 1 . GLU 50 50 51128 1 . GLY 51 51 51128 1 . GLY 52 52 51128 1 . LEU 53 53 51128 1 . ASN 54 54 51128 1 . LEU 55 55 51128 1 . THR 56 56 51128 1 . SER 57 57 51128 1 . THR 58 58 51128 1 . PHE 59 59 51128 1 . LEU 60 60 51128 1 . ARG 61 61 51128 1 . LYS 62 62 51128 1 . ASN 63 63 51128 1 . GLN 64 64 51128 1 . CYS 65 65 51128 1 . GLU 66 66 51128 1 . THR 67 67 51128 1 . LYS 68 68 51128 1 . ILE 69 69 51128 1 . MET 70 70 51128 1 . VAL 71 71 51128 1 . LEU 72 72 51128 1 . GLN 73 73 51128 1 . PRO 74 74 51128 1 . ALA 75 75 51128 1 . GLY 76 76 51128 1 . ALA 77 77 51128 1 . PRO 78 78 51128 1 . GLY 79 79 51128 1 . HIS 80 80 51128 1 . TYR 81 81 51128 1 . THR 82 82 51128 1 . TYR 83 83 51128 1 . SER 84 84 51128 1 . SER 85 85 51128 1 . PRO 86 86 51128 1 . HIS 87 87 51128 1 . SER 88 88 51128 1 . GLY 89 89 51128 1 . SER 90 90 51128 1 . ILE 91 91 51128 1 . HIS 92 92 51128 1 . SER 93 93 51128 1 . VAL 94 94 51128 1 . SER 95 95 51128 1 . VAL 96 96 51128 1 . VAL 97 97 51128 1 . GLU 98 98 51128 1 . ALA 99 99 51128 1 . ASN 100 100 51128 1 . TYR 101 101 51128 1 . ASP 102 102 51128 1 . GLU 103 103 51128 1 . TYR 104 104 51128 1 . ALA 105 105 51128 1 . LEU 106 106 51128 1 . LEU 107 107 51128 1 . PHE 108 108 51128 1 . SER 109 109 51128 1 . ARG 110 110 51128 1 . GLY 111 111 51128 1 . THR 112 112 51128 1 . LYS 113 113 51128 1 . GLY 114 114 51128 1 . PRO 115 115 51128 1 . GLY 116 116 51128 1 . GLN 117 117 51128 1 . ASP 118 118 51128 1 . PHE 119 119 51128 1 . ARG 120 120 51128 1 . MET 121 121 51128 1 . ALA 122 122 51128 1 . THR 123 123 51128 1 . LEU 124 124 51128 1 . TYR 125 125 51128 1 . SER 126 126 51128 1 . ARG 127 127 51128 1 . THR 128 128 51128 1 . GLN 129 129 51128 1 . THR 130 130 51128 1 . LEU 131 131 51128 1 . LYS 132 132 51128 1 . ASP 133 133 51128 1 . GLU 134 134 51128 1 . LEU 135 135 51128 1 . LYS 136 136 51128 1 . GLU 137 137 51128 1 . LYS 138 138 51128 1 . PHE 139 139 51128 1 . THR 140 140 51128 1 . THR 141 141 51128 1 . PHE 142 142 51128 1 . SER 143 143 51128 1 . LYS 144 144 51128 1 . ALA 145 145 51128 1 . GLN 146 146 51128 1 . GLY 147 147 51128 1 . LEU 148 148 51128 1 . THR 149 149 51128 1 . GLU 150 150 51128 1 . GLU 151 151 51128 1 . ASP 152 152 51128 1 . ILE 153 153 51128 1 . VAL 154 154 51128 1 . PHE 155 155 51128 1 . LEU 156 156 51128 1 . PRO 157 157 51128 1 . GLN 158 158 51128 1 . PRO 159 159 51128 1 . ASP 160 160 51128 1 . LYS 161 161 51128 1 . CYS 162 162 51128 1 . ILE 163 163 51128 1 . GLN 164 164 51128 1 . GLU 165 165 51128 1 stop_ save_ save_entity_PGJ _Entity.Sf_category entity _Entity.Sf_framecode entity_PGJ _Entity.Entry_ID 51128 _Entity.ID 2 _Entity.BMRB_code PGJ _Entity.Name entity_PGJ _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PGJ _Entity.Nonpolymer_comp_label $chem_comp_PGJ _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 423.394 _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 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE BMRB 51128 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE BMRB 51128 2 PGJ 'Three letter code' 51128 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PGJ $chem_comp_PGJ 51128 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51128 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 51128 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51128 _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' . . . Escherichia coli . . . plasmid . . pGEX-2T . . . 51128 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PGJ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PGJ _Chem_comp.Entry_ID 51128 _Chem_comp.ID PGJ _Chem_comp.Provenance PDB _Chem_comp.Name 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PGJ _Chem_comp.PDB_code PGJ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PGJ _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 31 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C22 H18 F N3 O5' _Chem_comp.Formula_weight 423.394 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1YW2 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O SMILES 'OpenEye OEToolkits' 1.5.0 51128 PGJ CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4 SMILES CACTVS 3.341 51128 PGJ CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4 SMILES_CANONICAL CACTVS 3.341 51128 PGJ CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51128 PGJ Fc4ccc(C=1C(=O)ON(C=1c3nc(Oc2ccccc2O)ncc3)COCC)cc4 SMILES ACDLabs 10.04 51128 PGJ ; InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3 ; InChI InChI 1.03 51128 PGJ ZSOXFJURLPCSOO-UHFFFAOYSA-N InChIKey InChI 1.03 51128 PGJ stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R)-2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]-1,2-oxazol-5-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51128 PGJ 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2H)-one 'SYSTEMATIC NAME' ACDLabs 10.04 51128 PGJ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 Y N . . . . 18.928 . 39.525 . 18.027 . -0.954 0.484 -1.902 1 . 51128 PGJ N2 N2 N2 N2 . N . . N 0 . . . 1 Y N . . . . 17.978 . 40.250 . 18.918 . -2.089 0.552 -2.644 2 . 51128 PGJ O3 O3 O3 O3 . O . . N 0 . . . 1 Y N . . . . 17.989 . 39.398 . 20.164 . -1.876 0.342 -3.815 3 . 51128 PGJ C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 18.845 . 38.368 . 20.014 . -0.579 0.094 -4.049 4 . 51128 PGJ C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 19.455 . 38.477 . 18.675 . 0.075 0.177 -2.789 5 . 51128 PGJ C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 18.399 . 41.621 . 19.222 . -3.413 0.852 -2.093 6 . 51128 PGJ O7 O7 O7 O7 . O . . N 0 . . . 1 N N . . . . 17.253 . 42.445 . 19.339 . -4.133 -0.365 -1.894 7 . 51128 PGJ C10 C10 C10 C10 . C . . N 0 . . . 1 N N . . . . 17.470 . 43.791 . 19.696 . -3.835 -0.809 -0.569 8 . 51128 PGJ C11 C11 C11 C11 . C . . N 0 . . . 1 N N . . . . 18.958 . 43.999 . 19.931 . -4.579 -2.116 -0.289 9 . 51128 PGJ C17 C17 C17 C17 . C . . N 0 . . . 1 Y N . . . . 18.947 . 39.822 . 16.601 . -0.835 0.687 -0.441 10 . 51128 PGJ C18 C18 C18 C18 . C . . N 0 . . . 1 Y N . . . . 18.953 . 38.814 . 15.649 . -1.275 1.876 0.148 11 . 51128 PGJ C19 C19 C19 C19 . C . . N 0 . . . 1 Y N . . . . 18.987 . 39.184 . 14.312 . -1.144 2.018 1.519 12 . 51128 PGJ N20 N20 N20 N20 . N . . N 0 . . . 1 Y N . . . . 19.015 . 40.463 . 13.934 . -0.610 1.034 2.224 13 . 51128 PGJ C21 C21 C21 C21 . C . . N 0 . . . 1 Y N . . . . 18.989 . 41.494 . 14.853 . -0.202 -0.080 1.638 14 . 51128 PGJ N22 N22 N22 N22 . N . . N 0 . . . 1 Y N . . . . 18.945 . 41.086 . 16.178 . -0.313 -0.262 0.333 15 . 51128 PGJ O23 O23 O23 O23 . O . . N 0 . . . 1 N N . . . . 18.956 . 42.783 . 14.418 . 0.337 -1.064 2.396 16 . 51128 PGJ C24 C24 C24 C24 . C . . N 0 . . . 1 Y N . . . . 18.297 . 43.736 . 15.186 . 0.217 -0.672 3.693 17 . 51128 PGJ C25 C25 C25 C25 . C . . N 0 . . . 1 Y N . . . . 18.984 . 44.882 . 15.554 . -0.875 -1.077 4.443 18 . 51128 PGJ C26 C26 C26 C26 . C . . N 0 . . . 1 Y N . . . . 18.367 . 45.861 . 16.323 . -0.995 -0.677 5.760 19 . 51128 PGJ C27 C27 C27 C27 . C . . N 0 . . . 1 Y N . . . . 17.054 . 45.691 . 16.728 . -0.028 0.127 6.333 20 . 51128 PGJ C28 C28 C28 C28 . C . . N 0 . . . 1 Y N . . . . 16.358 . 44.539 . 16.386 . 1.064 0.535 5.591 21 . 51128 PGJ C29 C29 C29 C29 . C . . N 0 . . . 1 Y N . . . . 16.965 . 43.579 . 15.588 . 1.194 0.132 4.271 22 . 51128 PGJ O34 O34 O34 O34 . O . . N 0 . . . 1 N N . . . . 16.252 . 42.451 . 15.245 . 2.268 0.533 3.539 23 . 51128 PGJ C35 C35 C35 C35 . C . . N 0 . . . 1 Y N . . . . 20.380 . 37.422 . 18.258 . 1.514 -0.013 -2.491 24 . 51128 PGJ C36 C36 C36 C36 . C . . N 0 . . . 1 Y N . . . . 19.963 . 36.101 . 18.457 . 2.134 -1.228 -2.781 25 . 51128 PGJ C37 C37 C37 C37 . C . . N 0 . . . 1 Y N . . . . 20.781 . 35.053 . 18.059 . 3.474 -1.400 -2.502 26 . 51128 PGJ C38 C38 C38 C38 . C . . N 0 . . . 1 Y N . . . . 22.019 . 35.351 . 17.505 . 4.203 -0.368 -1.934 27 . 51128 PGJ C39 C39 C39 C39 . C . . N 0 . . . 1 Y N . . . . 22.468 . 36.648 . 17.344 . 3.592 0.840 -1.643 28 . 51128 PGJ C40 C40 C40 C40 . C . . N 0 . . . 1 Y N . . . . 21.592 . 37.696 . 17.638 . 2.254 1.024 -1.924 29 . 51128 PGJ F45 F45 F45 F45 . F . . N 0 . . . 1 N N . . . . 22.803 . 34.315 . 17.190 . 5.515 -0.542 -1.663 30 . 51128 PGJ O47 O47 O47 O47 . O . . N 0 . . . 1 N N . . . . 19.142 . 37.541 . 20.823 . -0.064 -0.150 -5.126 31 . 51128 PGJ H61 H61 H61 1H6 . H . . N 0 . . . 1 N N . . . . 19.129 . 42.015 . 18.477 . -3.961 1.489 -2.789 32 . 51128 PGJ H62 H62 H62 2H6 . H . . N 0 . . . 1 N N . . . . 19.052 . 41.673 . 20.125 . -3.301 1.369 -1.140 33 . 51128 PGJ H101 H101 H101 1H10 . H . . N 0 . . . 0 N N . . . . 16.852 . 44.106 . 20.569 . -4.150 -0.051 0.147 34 . 51128 PGJ H102 H102 H102 2H10 . H . . N 0 . . . 0 N N . . . . 17.053 . 44.504 . 18.947 . -2.762 -0.974 -0.474 35 . 51128 PGJ H111 H111 H111 1H11 . H . . N 0 . . . 0 N N . . . . 19.576 . 43.684 . 19.058 . -4.351 -2.455 0.720 36 . 51128 PGJ H112 H112 H112 2H11 . H . . N 0 . . . 0 N N . . . . 19.130 . 45.064 . 20.213 . -5.652 -1.951 -0.384 37 . 51128 PGJ H113 H113 H113 3H11 . H . . N 0 . . . 0 N N . . . . 19.375 . 43.286 . 20.680 . -4.263 -2.874 -1.006 38 . 51128 PGJ H18 H18 H18 H18 . H . . N 0 . . . 1 N N . . . . 18.931 . 37.752 . 15.946 . -1.707 2.664 -0.450 39 . 51128 PGJ H19 H19 H19 H19 . H . . N 0 . . . 1 N N . . . . 18.992 . 38.425 . 13.512 . -1.472 2.924 2.008 40 . 51128 PGJ H25 H25 H25 H25 . H . . N 0 . . . 1 N N . . . . 20.031 . 45.016 . 15.232 . -1.632 -1.705 3.998 41 . 51128 PGJ H26 H26 H26 H26 . H . . N 0 . . . 1 N N . . . . 18.919 . 46.772 . 16.612 . -1.847 -0.993 6.344 42 . 51128 PGJ H27 H27 H27 H27 . H . . N 0 . . . 1 N N . . . . 16.561 . 46.476 . 17.325 . -0.126 0.438 7.363 43 . 51128 PGJ H28 H28 H28 H28 . H . . N 0 . . . 1 N N . . . . 15.327 . 44.387 . 16.747 . 1.818 1.163 6.040 44 . 51128 PGJ H34 H34 H34 H34 . H . . N 0 . . . 1 N N . . . . 15.348 . 42.345 . 15.518 . 2.956 -0.135 3.664 45 . 51128 PGJ H36 H36 H36 H36 . H . . N 0 . . . 1 N N . . . . 18.989 . 35.886 . 18.928 . 1.565 -2.033 -3.224 46 . 51128 PGJ H37 H37 H37 H37 . H . . N 0 . . . 1 N N . . . . 20.454 . 34.007 . 18.180 . 3.955 -2.340 -2.727 47 . 51128 PGJ H39 H39 H39 H39 . H . . N 0 . . . 1 N N . . . . 23.495 . 36.841 . 16.991 . 4.165 1.641 -1.200 48 . 51128 PGJ H40 H40 H40 H40 . H . . N 0 . . . 1 N N . . . . 21.856 . 38.736 . 17.382 . 1.778 1.967 -1.697 49 . 51128 PGJ stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 N2 Y N 1 . 51128 PGJ 2 . DOUB C1 C5 Y N 2 . 51128 PGJ 3 . SING C1 C17 Y N 3 . 51128 PGJ 4 . SING N2 O3 Y N 4 . 51128 PGJ 5 . SING N2 C6 N N 5 . 51128 PGJ 6 . SING O3 C4 Y N 6 . 51128 PGJ 7 . SING C4 C5 Y N 7 . 51128 PGJ 8 . DOUB C4 O47 N N 8 . 51128 PGJ 9 . SING C5 C35 Y N 9 . 51128 PGJ 10 . SING C6 O7 N N 10 . 51128 PGJ 11 . SING C6 H61 N N 11 . 51128 PGJ 12 . SING C6 H62 N N 12 . 51128 PGJ 13 . SING O7 C10 N N 13 . 51128 PGJ 14 . SING C10 C11 N N 14 . 51128 PGJ 15 . SING C10 H101 N N 15 . 51128 PGJ 16 . SING C10 H102 N N 16 . 51128 PGJ 17 . SING C11 H111 N N 17 . 51128 PGJ 18 . SING C11 H112 N N 18 . 51128 PGJ 19 . SING C11 H113 N N 19 . 51128 PGJ 20 . DOUB C17 C18 Y N 20 . 51128 PGJ 21 . SING C17 N22 Y N 21 . 51128 PGJ 22 . SING C18 C19 Y N 22 . 51128 PGJ 23 . SING C18 H18 N N 23 . 51128 PGJ 24 . DOUB C19 N20 Y N 24 . 51128 PGJ 25 . SING C19 H19 N N 25 . 51128 PGJ 26 . SING N20 C21 Y N 26 . 51128 PGJ 27 . DOUB C21 N22 Y N 27 . 51128 PGJ 28 . SING C21 O23 N N 28 . 51128 PGJ 29 . SING O23 C24 N N 29 . 51128 PGJ 30 . DOUB C24 C25 Y N 30 . 51128 PGJ 31 . SING C24 C29 Y N 31 . 51128 PGJ 32 . SING C25 C26 Y N 32 . 51128 PGJ 33 . SING C25 H25 N N 33 . 51128 PGJ 34 . DOUB C26 C27 Y N 34 . 51128 PGJ 35 . SING C26 H26 N N 35 . 51128 PGJ 36 . SING C27 C28 Y N 36 . 51128 PGJ 37 . SING C27 H27 N N 37 . 51128 PGJ 38 . DOUB C28 C29 Y N 38 . 51128 PGJ 39 . SING C28 H28 N N 39 . 51128 PGJ 40 . SING C29 O34 N N 40 . 51128 PGJ 41 . SING O34 H34 N N 41 . 51128 PGJ 42 . DOUB C35 C36 Y N 42 . 51128 PGJ 43 . SING C35 C40 Y N 43 . 51128 PGJ 44 . SING C36 C37 Y N 44 . 51128 PGJ 45 . SING C36 H36 N N 45 . 51128 PGJ 46 . DOUB C37 C38 Y N 46 . 51128 PGJ 47 . SING C37 H37 N N 47 . 51128 PGJ 48 . SING C38 C39 Y N 48 . 51128 PGJ 49 . SING C38 F45 N N 49 . 51128 PGJ 50 . DOUB C39 C40 Y N 50 . 51128 PGJ 51 . SING C39 H39 N N 51 . 51128 PGJ 52 . SING C40 H40 N N 52 . 51128 PGJ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51128 _Sample.ID 1 _Sample.Name '15N L-PGDS/PGJ2 complex' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'mouse lipocalin-type prostaglandin D synthase' '[U-99% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51128 1 2 '15-Deoxy-D12,14-Prostaglandin J2' 'natural abundance' . . 2 $entity_PGJ . . 0.25 . . mM . . . . 51128 1 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51128 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51128 _Sample.ID 2 _Sample.Name '13C,15N L-PGDS/PGJ2 complex' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'mouse lipocalin-type prostaglandin D synthase' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51128 2 2 '15-Deoxy-D12,14-Prostaglandin J2' 'natural abundance' . . 2 $entity_PGJ . . 0.25 . . mM . . . . 51128 2 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51128 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51128 _Sample.ID 3 _Sample.Name '13C,15N L-PGDS/PGJ2 complex D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mouse lipocalin-type prostaglandin D synthase' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51128 3 2 '15-Deoxy-D12,14-Prostaglandin J2' 'natural abundance' . . 2 $entity_PGJ . . 0.25 . . mM . . . . 51128 3 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51128 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51128 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51128 1 pH 6.5 . pH 51128 1 pressure 1 . atm 51128 1 temperature 298 . K 51128 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51128 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51128 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51128 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51128 2 'peak picking' . 51128 2 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 51128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian INOVA 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51128 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 6 '3D CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 8 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 9 '3D 13C-separated NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 10 '3D 13C-separated NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51128 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CSref 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51128 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 51128 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51128 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 51128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'mouse L-PGDS/PGJ2 CS' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 51128 1 3 '3D CBCA(CO)NH' . . . 51128 1 4 '3D HNCACB' . . . 51128 1 5 '3D HBHA(CO)NH' . . . 51128 1 6 '3D CCH-TOCSY' . . . 51128 1 7 '3D HCCH-TOCSY' . . . 51128 1 8 '3D 15N-separated NOESY' . . . 51128 1 9 '3D 13C-separated NOESY' . . . 51128 1 10 '3D 13C-separated NOESY' . . . 51128 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51128 1 2 $software_2 . . 51128 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 3 3 HIS HB2 H 1 2.027 0.0 . 1 . . . . . 27 HIS HB2 . 51128 1 2 . 1 . 1 3 3 HIS HB3 H 1 2.44 0.0 . 1 . . . . . 27 HIS HB3 . 51128 1 3 . 1 . 1 4 4 ASP H H 1 8.45 0.0 . 1 . . . . . 28 ASP H . 51128 1 4 . 1 . 1 4 4 ASP HA H 1 4.393 0.0 . 1 . . . . . 28 ASP HA . 51128 1 5 . 1 . 1 4 4 ASP HB2 H 1 2.679 0.0 . 1 . . . . . 28 ASP HB2 . 51128 1 6 . 1 . 1 4 4 ASP CA C 13 54.517 0.0 . 1 . . . . . 28 ASP CA . 51128 1 7 . 1 . 1 4 4 ASP CB C 13 40.988 0.0 . 1 . . . . . 28 ASP CB . 51128 1 8 . 1 . 1 4 4 ASP N N 15 118.864 0.0 . 1 . . . . . 28 ASP N . 51128 1 9 . 1 . 1 5 5 THR H H 1 8.138 0.0 . 1 . . . . . 29 THR H . 51128 1 10 . 1 . 1 5 5 THR HA H 1 4.303 0.0 . 1 . . . . . 29 THR HA . 51128 1 11 . 1 . 1 5 5 THR HB H 1 4.157 0.0 . 1 . . . . . 29 THR HB . 51128 1 12 . 1 . 1 5 5 THR HG1 H 1 1.212 0.0 . 1 . . . . . 29 THR HG1 . 51128 1 13 . 1 . 1 5 5 THR HG21 H 1 1.144 0.0 . 9 . . . . . 29 THR HG21 . 51128 1 14 . 1 . 1 5 5 THR HG22 H 1 1.144 0.0 . 1 . . . . . 29 THR HG22 . 51128 1 15 . 1 . 1 5 5 THR HG23 H 1 1.144 0.0 . 1 . . . . . 29 THR HG23 . 51128 1 16 . 1 . 1 5 5 THR CA C 13 62.17 0.0 . 1 . . . . . 29 THR CA . 51128 1 17 . 1 . 1 5 5 THR CB C 13 69.782 0.0 . 1 . . . . . 29 THR CB . 51128 1 18 . 1 . 1 5 5 THR CG2 C 13 21.802 0.0 . 1 . . . . . 29 THR CG2 . 51128 1 19 . 1 . 1 5 5 THR N N 15 115.788 0.0 . 1 . . . . . 29 THR N . 51128 1 20 . 1 . 1 6 6 VAL H H 1 7.78 0.0 . 1 . . . . . 30 VAL H . 51128 1 21 . 1 . 1 6 6 VAL HA H 1 4.289 0.0 . 1 . . . . . 30 VAL HA . 51128 1 22 . 1 . 1 6 6 VAL HB H 1 1.858 0.0 . 1 . . . . . 30 VAL HB . 51128 1 23 . 1 . 1 6 6 VAL HG11 H 1 1.113 0.0 . 2 . . . . . 30 VAL HG11 . 51128 1 24 . 1 . 1 6 6 VAL HG12 H 1 1.113 0.0 . 2 . . . . . 30 VAL HG12 . 51128 1 25 . 1 . 1 6 6 VAL HG13 H 1 1.113 0.0 . 2 . . . . . 30 VAL HG13 . 51128 1 26 . 1 . 1 6 6 VAL HG21 H 1 0.758 0.0 . 2 . . . . . 30 VAL HG21 . 51128 1 27 . 1 . 1 6 6 VAL HG22 H 1 0.758 0.0 . 2 . . . . . 30 VAL HG22 . 51128 1 28 . 1 . 1 6 6 VAL HG23 H 1 0.758 0.0 . 2 . . . . . 30 VAL HG23 . 51128 1 29 . 1 . 1 6 6 VAL CA C 13 60.392 0.0 . 1 . . . . . 30 VAL CA . 51128 1 30 . 1 . 1 6 6 VAL CB C 13 34.509 0.0 . 1 . . . . . 30 VAL CB . 51128 1 31 . 1 . 1 6 6 VAL CG1 C 13 21.64 0.0 . 1 . . . . . 30 VAL CG1 . 51128 1 32 . 1 . 1 6 6 VAL CG2 C 13 20.906 0.0 . 1 . . . . . 30 VAL CG2 . 51128 1 33 . 1 . 1 6 6 VAL N N 15 120.407 0.0 . 1 . . . . . 30 VAL N . 51128 1 34 . 1 . 1 7 7 GLN H H 1 8.539 0.0 . 1 . . . . . 31 GLN H . 51128 1 35 . 1 . 1 7 7 GLN HA H 1 4.274 0.0 . 1 . . . . . 31 GLN HA . 51128 1 36 . 1 . 1 7 7 GLN HB2 H 1 1.791 0.0 . 1 . . . . . 31 GLN HB2 . 51128 1 37 . 1 . 1 7 7 GLN HB3 H 1 1.922 0.0 . 1 . . . . . 31 GLN HB3 . 51128 1 38 . 1 . 1 7 7 GLN CA C 13 53.311 0.0 . 1 . . . . . 31 GLN CA . 51128 1 39 . 1 . 1 7 7 GLN CB C 13 29.977 0.0 . 1 . . . . . 31 GLN CB . 51128 1 40 . 1 . 1 7 7 GLN N N 15 127.434 0.0 . 1 . . . . . 31 GLN N . 51128 1 41 . 1 . 1 8 8 PRO HA H 1 4.413 0.0 . 1 . . . . . 32 PRO HA . 51128 1 42 . 1 . 1 8 8 PRO HB2 H 1 1.946 0.0 . 1 . . . . . 32 PRO HB2 . 51128 1 43 . 1 . 1 8 8 PRO HB3 H 1 2.364 0.0 . 1 . . . . . 32 PRO HB3 . 51128 1 44 . 1 . 1 8 8 PRO HG2 H 1 2.145 0.0 . 1 . . . . . 32 PRO HG2 . 51128 1 45 . 1 . 1 8 8 PRO HG3 H 1 2.071 0.0 . 1 . . . . . 32 PRO HG3 . 51128 1 46 . 1 . 1 8 8 PRO HD2 H 1 3.732 0.0 . 1 . . . . . 32 PRO HD2 . 51128 1 47 . 1 . 1 8 8 PRO HD3 H 1 3.748 0.0 . 1 . . . . . 32 PRO HD3 . 51128 1 48 . 1 . 1 8 8 PRO CA C 13 63.282 0.0 . 1 . . . . . 32 PRO CA . 51128 1 49 . 1 . 1 8 8 PRO CB C 13 32.356 0.0 . 1 . . . . . 32 PRO CB . 51128 1 50 . 1 . 1 8 8 PRO CG C 13 27.898 0.0 . 1 . . . . . 32 PRO CG . 51128 1 51 . 1 . 1 8 8 PRO CD C 13 50.704 0.0 . 1 . . . . . 32 PRO CD . 51128 1 52 . 1 . 1 9 9 ASN H H 1 9.012 0.0 . 1 . . . . . 33 ASN H . 51128 1 53 . 1 . 1 9 9 ASN HA H 1 4.525 0.0 . 1 . . . . . 33 ASN HA . 51128 1 54 . 1 . 1 9 9 ASN HB2 H 1 2.81 0.0 . 1 . . . . . 33 ASN HB2 . 51128 1 55 . 1 . 1 9 9 ASN HB3 H 1 3.034 0.0 . 1 . . . . . 33 ASN HB3 . 51128 1 56 . 1 . 1 9 9 ASN CA C 13 53.521 0.0 . 1 . . . . . 33 ASN CA . 51128 1 57 . 1 . 1 9 9 ASN CB C 13 37.99 0.0 . 1 . . . . . 33 ASN CB . 51128 1 58 . 1 . 1 9 9 ASN N N 15 119.037 0.0 . 1 . . . . . 33 ASN N . 51128 1 59 . 1 . 1 10 10 PHE H H 1 8.034 0.0 . 1 . . . . . 34 PHE H . 51128 1 60 . 1 . 1 10 10 PHE HA H 1 4.162 0.0 . 1 . . . . . 34 PHE HA . 51128 1 61 . 1 . 1 10 10 PHE HB2 H 1 2.593 0.0 . 1 . . . . . 34 PHE HB2 . 51128 1 62 . 1 . 1 10 10 PHE HB3 H 1 3.272 0.0 . 1 . . . . . 34 PHE HB3 . 51128 1 63 . 1 . 1 10 10 PHE CA C 13 59.458 0.0 . 1 . . . . . 34 PHE CA . 51128 1 64 . 1 . 1 10 10 PHE CB C 13 39.541 0.0 . 1 . . . . . 34 PHE CB . 51128 1 65 . 1 . 1 10 10 PHE N N 15 119.228 0.0 . 1 . . . . . 34 PHE N . 51128 1 66 . 1 . 1 11 11 GLN H H 1 7.37 0.0 . 1 . . . . . 35 GLN H . 51128 1 67 . 1 . 1 11 11 GLN HA H 1 4.286 0.0 . 1 . . . . . 35 GLN HA . 51128 1 68 . 1 . 1 11 11 GLN HB2 H 1 1.818 0.0 . 1 . . . . . 35 GLN HB2 . 51128 1 69 . 1 . 1 11 11 GLN HB3 H 1 1.997 0.0 . 1 . . . . . 35 GLN HB3 . 51128 1 70 . 1 . 1 11 11 GLN HG2 H 1 2.29 0.0 . 1 . . . . . 35 GLN HG2 . 51128 1 71 . 1 . 1 11 11 GLN HG3 H 1 2.339 0.0 . 1 . . . . . 35 GLN HG3 . 51128 1 72 . 1 . 1 11 11 GLN CA C 13 53.079 0.0 . 1 . . . . . 35 GLN CA . 51128 1 73 . 1 . 1 11 11 GLN CB C 13 29.74 0.0 . 1 . . . . . 35 GLN CB . 51128 1 74 . 1 . 1 11 11 GLN CG C 13 33.027 0.0 . 1 . . . . . 35 GLN CG . 51128 1 75 . 1 . 1 11 11 GLN N N 15 128.374 0.0 . 1 . . . . . 35 GLN N . 51128 1 76 . 1 . 1 12 12 GLN H H 1 8.727 0.0 . 1 . . . . . 36 GLN H . 51128 1 77 . 1 . 1 12 12 GLN HA H 1 3.474 0.0 . 1 . . . . . 36 GLN HA . 51128 1 78 . 1 . 1 12 12 GLN HB2 H 1 2.113 0.0 . 1 . . . . . 36 GLN HB2 . 51128 1 79 . 1 . 1 12 12 GLN HB3 H 1 2.24 0.0 . 1 . . . . . 36 GLN HB3 . 51128 1 80 . 1 . 1 12 12 GLN HG2 H 1 2.335 0.0 . 1 . . . . . 36 GLN HG2 . 51128 1 81 . 1 . 1 12 12 GLN HG3 H 1 2.501 0.0 . 1 . . . . . 36 GLN HG3 . 51128 1 82 . 1 . 1 12 12 GLN CA C 13 60.111 0.0 . 1 . . . . . 36 GLN CA . 51128 1 83 . 1 . 1 12 12 GLN CB C 13 29.707 0.0 . 1 . . . . . 36 GLN CB . 51128 1 84 . 1 . 1 12 12 GLN CG C 13 35.766 0.0 . 1 . . . . . 36 GLN CG . 51128 1 85 . 1 . 1 12 12 GLN N N 15 124.697 0.0 . 1 . . . . . 36 GLN N . 51128 1 86 . 1 . 1 13 13 ASP H H 1 8.599 0.0 . 1 . . . . . 37 ASP H . 51128 1 87 . 1 . 1 13 13 ASP HA H 1 4.196 0.0 . 1 . . . . . 37 ASP HA . 51128 1 88 . 1 . 1 13 13 ASP HB2 H 1 2.24 0.0 . 1 . . . . . 37 ASP HB2 . 51128 1 89 . 1 . 1 13 13 ASP HB3 H 1 2.553 0.0 . 1 . . . . . 37 ASP HB3 . 51128 1 90 . 1 . 1 13 13 ASP CA C 13 56.419 0.0 . 1 . . . . . 37 ASP CA . 51128 1 91 . 1 . 1 13 13 ASP CB C 13 39.558 0.0 . 1 . . . . . 37 ASP CB . 51128 1 92 . 1 . 1 13 13 ASP N N 15 114.034 0.0 . 1 . . . . . 37 ASP N . 51128 1 93 . 1 . 1 14 14 LYS H H 1 6.858 0.0 . 1 . . . . . 38 LYS H . 51128 1 94 . 1 . 1 14 14 LYS HA H 1 4.04 0.0 . 1 . . . . . 38 LYS HA . 51128 1 95 . 1 . 1 14 14 LYS HB2 H 1 1.532 0.0 . 2 . . . . . 38 LYS HB2 . 51128 1 96 . 1 . 1 14 14 LYS HG2 H 1 1.102 0.0 . 1 . . . . . 38 LYS HG2 . 51128 1 97 . 1 . 1 14 14 LYS HG3 H 1 1.148 0.0 . 1 . . . . . 38 LYS HG3 . 51128 1 98 . 1 . 1 14 14 LYS HD2 H 1 1.258 0.0 . 1 . . . . . 38 LYS HD2 . 51128 1 99 . 1 . 1 14 14 LYS HD3 H 1 1.369 0.0 . 1 . . . . . 38 LYS HD3 . 51128 1 100 . 1 . 1 14 14 LYS HE2 H 1 2.868 0.0 . 2 . . . . . 38 LYS HE2 . 51128 1 101 . 1 . 1 14 14 LYS CA C 13 56.374 0.0 . 1 . . . . . 38 LYS CA . 51128 1 102 . 1 . 1 14 14 LYS CB C 13 31.221 0.0 . 1 . . . . . 38 LYS CB . 51128 1 103 . 1 . 1 14 14 LYS CG C 13 25.288 0.0 . 1 . . . . . 38 LYS CG . 51128 1 104 . 1 . 1 14 14 LYS CD C 13 28.543 0.0 . 1 . . . . . 38 LYS CD . 51128 1 105 . 1 . 1 14 14 LYS CE C 13 41.899 0.0 . 1 . . . . . 38 LYS CE . 51128 1 106 . 1 . 1 14 14 LYS N N 15 116.5 0.0 . 1 . . . . . 38 LYS N . 51128 1 107 . 1 . 1 15 15 PHE H H 1 7.462 0.0 . 1 . . . . . 39 PHE H . 51128 1 108 . 1 . 1 15 15 PHE HA H 1 4.81 0.0 . 1 . . . . . 39 PHE HA . 51128 1 109 . 1 . 1 15 15 PHE HB2 H 1 3.237 0.0 . 2 . . . . . 39 PHE HB2 . 51128 1 110 . 1 . 1 15 15 PHE CA C 13 57.395 0.0 . 1 . . . . . 39 PHE CA . 51128 1 111 . 1 . 1 15 15 PHE CB C 13 42.131 0.0 . 1 . . . . . 39 PHE CB . 51128 1 112 . 1 . 1 15 15 PHE N N 15 119.363 0.0 . 1 . . . . . 39 PHE N . 51128 1 113 . 1 . 1 16 16 LEU H H 1 6.68 0.0 . 1 . . . . . 40 LEU H . 51128 1 114 . 1 . 1 16 16 LEU HA H 1 3.887 0.0 . 1 . . . . . 40 LEU HA . 51128 1 115 . 1 . 1 16 16 LEU HB2 H 1 2.291 0.0 . 1 . . . . . 40 LEU HB2 . 51128 1 116 . 1 . 1 16 16 LEU HB3 H 1 1.534 0.0 . 1 . . . . . 40 LEU HB3 . 51128 1 117 . 1 . 1 16 16 LEU HG H 1 1.047 0.0 . 1 . . . . . 40 LEU HG . 51128 1 118 . 1 . 1 16 16 LEU HD11 H 1 0.674 0.0 . 2 . . . . . 40 LEU HD11 . 51128 1 119 . 1 . 1 16 16 LEU HD12 H 1 0.674 0.0 . 2 . . . . . 40 LEU HD12 . 51128 1 120 . 1 . 1 16 16 LEU HD13 H 1 0.674 0.0 . 2 . . . . . 40 LEU HD13 . 51128 1 121 . 1 . 1 16 16 LEU HD21 H 1 0.56 0.0 . 2 . . . . . 40 LEU HD21 . 51128 1 122 . 1 . 1 16 16 LEU HD22 H 1 0.56 0.0 . 2 . . . . . 40 LEU HD22 . 51128 1 123 . 1 . 1 16 16 LEU HD23 H 1 0.56 0.0 . 2 . . . . . 40 LEU HD23 . 51128 1 124 . 1 . 1 16 16 LEU CA C 13 54.783 0.0 . 1 . . . . . 40 LEU CA . 51128 1 125 . 1 . 1 16 16 LEU CB C 13 42.357 0.0 . 1 . . . . . 40 LEU CB . 51128 1 126 . 1 . 1 16 16 LEU CG C 13 27.469 0.0 . 1 . . . . . 40 LEU CG . 51128 1 127 . 1 . 1 16 16 LEU CD1 C 13 25.48 0.0 . 1 . . . . . 40 LEU CD1 . 51128 1 128 . 1 . 1 16 16 LEU CD2 C 13 22.475 0.0 . 1 . . . . . 40 LEU CD2 . 51128 1 129 . 1 . 1 16 16 LEU N N 15 111.927 0.0 . 1 . . . . . 40 LEU N . 51128 1 130 . 1 . 1 17 17 GLY H H 1 8.875 0.0 . 1 . . . . . 41 GLY H . 51128 1 131 . 1 . 1 17 17 GLY HA2 H 1 4.332 0.0 . 1 . . . . . 41 GLY HA2 . 51128 1 132 . 1 . 1 17 17 GLY HA3 H 1 3.694 0.0 . 1 . . . . . 41 GLY HA3 . 51128 1 133 . 1 . 1 17 17 GLY CA C 13 44.191 0.0 . 1 . . . . . 41 GLY CA . 51128 1 134 . 1 . 1 17 17 GLY N N 15 107.841 0.0 . 1 . . . . . 41 GLY N . 51128 1 135 . 1 . 1 18 18 ARG H H 1 8.653 0.0 . 1 . . . . . 42 ARG H . 51128 1 136 . 1 . 1 18 18 ARG HA H 1 4.198 0.0 . 1 . . . . . 42 ARG HA . 51128 1 137 . 1 . 1 18 18 ARG HB2 H 1 1.621 0.0 . 1 . . . . . 42 ARG HB2 . 51128 1 138 . 1 . 1 18 18 ARG HG2 H 1 1.427 0.0 . 1 . . . . . 42 ARG HG2 . 51128 1 139 . 1 . 1 18 18 ARG HG3 H 1 1.363 0.0 . 1 . . . . . 42 ARG HG3 . 51128 1 140 . 1 . 1 18 18 ARG HD2 H 1 3.143 0.0 . 1 . . . . . 42 ARG HD2 . 51128 1 141 . 1 . 1 18 18 ARG HD3 H 1 3.081 0.0 . 1 . . . . . 42 ARG HD3 . 51128 1 142 . 1 . 1 18 18 ARG CA C 13 56.809 0.0 . 1 . . . . . 42 ARG CA . 51128 1 143 . 1 . 1 18 18 ARG CB C 13 31.098 0.0 . 1 . . . . . 42 ARG CB . 51128 1 144 . 1 . 1 18 18 ARG N N 15 121.959 0.0 . 1 . . . . . 42 ARG N . 51128 1 145 . 1 . 1 19 19 TRP H H 1 9.256 0.0 . 1 . . . . . 43 TRP H . 51128 1 146 . 1 . 1 19 19 TRP HA H 1 4.726 0.0 . 1 . . . . . 43 TRP HA . 51128 1 147 . 1 . 1 19 19 TRP HB2 H 1 2.83 0.0 . 2 . . . . . 43 TRP HB2 . 51128 1 148 . 1 . 1 19 19 TRP CA C 13 55.415 0.0 . 1 . . . . . 43 TRP CA . 51128 1 149 . 1 . 1 19 19 TRP CB C 13 35.019 0.0 . 1 . . . . . 43 TRP CB . 51128 1 150 . 1 . 1 19 19 TRP N N 15 129.895 0.0 . 1 . . . . . 43 TRP N . 51128 1 151 . 1 . 1 20 20 TYR H H 1 9.821 0.0 . 1 . . . . . 44 TYR H . 51128 1 152 . 1 . 1 20 20 TYR HA H 1 5.591 0.0 . 1 . . . . . 44 TYR HA . 51128 1 153 . 1 . 1 20 20 TYR CA C 13 56.903 0.0 . 1 . . . . . 44 TYR CA . 51128 1 154 . 1 . 1 20 20 TYR CB C 13 40.321 0.0 . 1 . . . . . 44 TYR CB . 51128 1 155 . 1 . 1 20 20 TYR N N 15 117.959 0.0 . 1 . . . . . 44 TYR N . 51128 1 156 . 1 . 1 21 21 SER H H 1 9.07 0.0 . 1 . . . . . 45 SER H . 51128 1 157 . 1 . 1 21 21 SER HA H 1 4.498 0.0 . 1 . . . . . 45 SER HA . 51128 1 158 . 1 . 1 21 21 SER HB2 H 1 3.987 0.0 . 2 . . . . . 45 SER HB2 . 51128 1 159 . 1 . 1 21 21 SER CA C 13 56.608 0.0 . 1 . . . . . 45 SER CA . 51128 1 160 . 1 . 1 21 21 SER CB C 13 64.065 0.0 . 1 . . . . . 45 SER CB . 51128 1 161 . 1 . 1 21 21 SER N N 15 119.224 0.0 . 1 . . . . . 45 SER N . 51128 1 162 . 1 . 1 22 22 ALA H H 1 8.758 0.0 . 1 . . . . . 46 ALA H . 51128 1 163 . 1 . 1 22 22 ALA HA H 1 4.785 0.0 . 1 . . . . . 46 ALA HA . 51128 1 164 . 1 . 1 22 22 ALA HB1 H 1 1.539 0.0 . 1 . . . . . 46 ALA HB1 . 51128 1 165 . 1 . 1 22 22 ALA HB2 H 1 1.539 0.0 . 1 . . . . . 46 ALA HB2 . 51128 1 166 . 1 . 1 22 22 ALA HB3 H 1 1.539 0.0 . 1 . . . . . 46 ALA HB3 . 51128 1 167 . 1 . 1 22 22 ALA CA C 13 52.51 0.0 . 1 . . . . . 46 ALA CA . 51128 1 168 . 1 . 1 22 22 ALA CB C 13 22.192 0.0 . 1 . . . . . 46 ALA CB . 51128 1 169 . 1 . 1 22 22 ALA N N 15 129.514 0.0 . 1 . . . . . 46 ALA N . 51128 1 170 . 1 . 1 23 23 GLY H H 1 7.924 0.0 . 1 . . . . . 47 GLY H . 51128 1 171 . 1 . 1 23 23 GLY HA2 H 1 4.078 0.0 . 1 . . . . . 47 GLY HA2 . 51128 1 172 . 1 . 1 23 23 GLY HA3 H 1 3.624 0.0 . 1 . . . . . 47 GLY HA3 . 51128 1 173 . 1 . 1 23 23 GLY CA C 13 45.231 0.0 . 1 . . . . . 47 GLY CA . 51128 1 174 . 1 . 1 23 23 GLY N N 15 106.349 0.0 . 1 . . . . . 47 GLY N . 51128 1 175 . 1 . 1 24 24 LEU H H 1 9.147 0.0 . 1 . . . . . 48 LEU H . 51128 1 176 . 1 . 1 24 24 LEU HA H 1 5.367 0.0 . 1 . . . . . 48 LEU HA . 51128 1 177 . 1 . 1 24 24 LEU HB2 H 1 1.431 0.0 . 1 . . . . . 48 LEU HB2 . 51128 1 178 . 1 . 1 24 24 LEU HB3 H 1 1579.0 0.0 . 1 . . . . . 48 LEU HB3 . 51128 1 179 . 1 . 1 24 24 LEU HG H 1 1.323 0.0 . 1 . . . . . 48 LEU HG . 51128 1 180 . 1 . 1 24 24 LEU HD11 H 1 0.696 0.0 . 2 . . . . . 48 LEU HD11 . 51128 1 181 . 1 . 1 24 24 LEU HD12 H 1 0.696 0.0 . 2 . . . . . 48 LEU HD12 . 51128 1 182 . 1 . 1 24 24 LEU HD13 H 1 0.696 0.0 . 2 . . . . . 48 LEU HD13 . 51128 1 183 . 1 . 1 24 24 LEU HD21 H 1 1.041 0.0 . 2 . . . . . 48 LEU HD21 . 51128 1 184 . 1 . 1 24 24 LEU HD22 H 1 1.041 0.0 . 2 . . . . . 48 LEU HD22 . 51128 1 185 . 1 . 1 24 24 LEU HD23 H 1 1.041 0.0 . 2 . . . . . 48 LEU HD23 . 51128 1 186 . 1 . 1 24 24 LEU CA C 13 54.86 0.0 . 1 . . . . . 48 LEU CA . 51128 1 187 . 1 . 1 24 24 LEU CB C 13 49.16 0.0 . 1 . . . . . 48 LEU CB . 51128 1 188 . 1 . 1 24 24 LEU CG C 13 31.708 0.0 . 1 . . . . . 48 LEU CG . 51128 1 189 . 1 . 1 24 24 LEU CD1 C 13 25.848 0.0 . 2 . . . . . 48 LEU CD1 . 51128 1 190 . 1 . 1 24 24 LEU N N 15 125.491 0.0 . 1 . . . . . 48 LEU N . 51128 1 191 . 1 . 1 25 25 ALA H H 1 8.829 0.0 . 1 . . . . . 49 ALA H . 51128 1 192 . 1 . 1 25 25 ALA HA H 1 5.482 0.0 . 1 . . . . . 49 ALA HA . 51128 1 193 . 1 . 1 25 25 ALA HB1 H 1 1.106 0.0 . 1 . . . . . 49 ALA HB1 . 51128 1 194 . 1 . 1 25 25 ALA HB2 H 1 1.106 0.0 . 1 . . . . . 49 ALA HB2 . 51128 1 195 . 1 . 1 25 25 ALA HB3 H 1 1.106 0.0 . 1 . . . . . 49 ALA HB3 . 51128 1 196 . 1 . 1 25 25 ALA CA C 13 50.789 0.0 . 1 . . . . . 49 ALA CA . 51128 1 197 . 1 . 1 25 25 ALA CB C 13 24.464 0.0 . 1 . . . . . 49 ALA CB . 51128 1 198 . 1 . 1 25 25 ALA N N 15 124.301 0.0 . 1 . . . . . 49 ALA N . 51128 1 199 . 1 . 1 26 26 SER H H 1 7.169 0.0 . 1 . . . . . 50 SER H . 51128 1 200 . 1 . 1 26 26 SER HA H 1 4.555 0.0 . 1 . . . . . 50 SER HA . 51128 1 201 . 1 . 1 26 26 SER HB2 H 1 3.908 0.0 . 2 . . . . . 50 SER HB2 . 51128 1 202 . 1 . 1 26 26 SER CA C 13 56.118 0.0 . 1 . . . . . 50 SER CA . 51128 1 203 . 1 . 1 26 26 SER CB C 13 64.677 0.0 . 1 . . . . . 50 SER CB . 51128 1 204 . 1 . 1 26 26 SER N N 15 113.765 0.0 . 1 . . . . . 50 SER N . 51128 1 205 . 1 . 1 27 27 ASN H H 1 7.683 0.0 . 1 . . . . . 51 ASN H . 51128 1 206 . 1 . 1 27 27 ASN CA C 13 51.556 0.0 . 1 . . . . . 51 ASN CA . 51128 1 207 . 1 . 1 27 27 ASN CB C 13 38.024 0.0 . 1 . . . . . 51 ASN CB . 51128 1 208 . 1 . 1 27 27 ASN N N 15 120.387 0.0 . 1 . . . . . 51 ASN N . 51128 1 209 . 1 . 1 31 31 PHE HA H 1 5.136 0.0 . 1 . . . . . 55 PHE HA . 51128 1 210 . 1 . 1 31 31 PHE HB2 H 1 3.398 0.0 . 2 . . . . . 55 PHE HB2 . 51128 1 211 . 1 . 1 31 31 PHE CA C 13 61.359 0.0 . 1 . . . . . 55 PHE CA . 51128 1 212 . 1 . 1 31 31 PHE CB C 13 39.022 0.0 . 1 . . . . . 55 PHE CB . 51128 1 213 . 1 . 1 32 32 ARG H H 1 7.915 0.0 . 1 . . . . . 56 ARG H . 51128 1 214 . 1 . 1 32 32 ARG HA H 1 3.58 0.0 . 1 . . . . . 56 ARG HA . 51128 1 215 . 1 . 1 32 32 ARG HB2 H 1 1.889 0.0 . 2 . . . . . 56 ARG HB2 . 51128 1 216 . 1 . 1 32 32 ARG HG2 H 1 1.662 0.0 . 1 . . . . . 56 ARG HG2 . 51128 1 217 . 1 . 1 32 32 ARG HG3 H 1 1.715 0.0 . 1 . . . . . 56 ARG HG3 . 51128 1 218 . 1 . 1 32 32 ARG HD2 H 1 3.128 0.0 . 1 . . . . . 56 ARG HD2 . 51128 1 219 . 1 . 1 32 32 ARG HD3 H 1 3.163 0.0 . 1 . . . . . 56 ARG HD3 . 51128 1 220 . 1 . 1 32 32 ARG CA C 13 59.942 0.0 . 1 . . . . . 56 ARG CA . 51128 1 221 . 1 . 1 32 32 ARG CB C 13 29.898 0.0 . 1 . . . . . 56 ARG CB . 51128 1 222 . 1 . 1 32 32 ARG CG C 13 28.567 0.0 . 1 . . . . . 56 ARG CG . 51128 1 223 . 1 . 1 32 32 ARG CD C 13 43.436 0.0 . 1 . . . . . 56 ARG CD . 51128 1 224 . 1 . 1 32 32 ARG N N 15 117.565 0.0 . 1 . . . . . 56 ARG N . 51128 1 225 . 1 . 1 33 33 GLU H H 1 7.704 0.0 . 1 . . . . . 57 GLU H . 51128 1 226 . 1 . 1 33 33 GLU HA H 1 4.068 0.0 . 1 . . . . . 57 GLU HA . 51128 1 227 . 1 . 1 33 33 GLU HB2 H 1 2.058 0.0 . 2 . . . . . 57 GLU HB2 . 51128 1 228 . 1 . 1 33 33 GLU HG2 H 1 2.205 0.0 . 1 . . . . . 57 GLU HG2 . 51128 1 229 . 1 . 1 33 33 GLU HG3 H 1 2.371 0.0 . 1 . . . . . 57 GLU HG3 . 51128 1 230 . 1 . 1 33 33 GLU CA C 13 58.258 0.0 . 1 . . . . . 57 GLU CA . 51128 1 231 . 1 . 1 33 33 GLU CB C 13 30.164 0.0 . 1 . . . . . 57 GLU CB . 51128 1 232 . 1 . 1 33 33 GLU CG C 13 36.73 0.0 . 1 . . . . . 57 GLU CG . 51128 1 233 . 1 . 1 33 33 GLU N N 15 116.049 0.0 . 1 . . . . . 57 GLU N . 51128 1 234 . 1 . 1 34 34 LYS H H 1 7.592 0.0 . 1 . . . . . 58 LYS H . 51128 1 235 . 1 . 1 34 34 LYS HA H 1 4.214 0.0 . 1 . . . . . 58 LYS HA . 51128 1 236 . 1 . 1 34 34 LYS HB2 H 1 1.153 0.0 . 1 . . . . . 58 LYS HB2 . 51128 1 237 . 1 . 1 34 34 LYS HB3 H 1 1.555 0.0 . 1 . . . . . 58 LYS HB3 . 51128 1 238 . 1 . 1 34 34 LYS HG2 H 1 1.338 0.0 . 1 . . . . . 58 LYS HG2 . 51128 1 239 . 1 . 1 34 34 LYS HG3 H 1 1.375 0.0 . 1 . . . . . 58 LYS HG3 . 51128 1 240 . 1 . 1 34 34 LYS HD2 H 1 1.337 0.0 . 1 . . . . . 58 LYS HD2 . 51128 1 241 . 1 . 1 34 34 LYS HD3 H 1 1.444 0.0 . 1 . . . . . 58 LYS HD3 . 51128 1 242 . 1 . 1 34 34 LYS HE2 H 1 2.931 0.0 . 2 . . . . . 58 LYS HE2 . 51128 1 243 . 1 . 1 34 34 LYS CA C 13 55.375 0.0 . 1 . . . . . 58 LYS CA . 51128 1 244 . 1 . 1 34 34 LYS CB C 13 32.909 0.0 . 1 . . . . . 58 LYS CB . 51128 1 245 . 1 . 1 34 34 LYS CG C 13 24.85 0.0 . 1 . . . . . 58 LYS CG . 51128 1 246 . 1 . 1 34 34 LYS CD C 13 28.426 0.0 . 1 . . . . . 58 LYS CD . 51128 1 247 . 1 . 1 34 34 LYS CE C 13 42.041 0.0 . 1 . . . . . 58 LYS CE . 51128 1 248 . 1 . 1 34 34 LYS N N 15 116.673 0.0 . 1 . . . . . 58 LYS N . 51128 1 249 . 1 . 1 35 35 LYS H H 1 7.577 0.0 . 1 . . . . . 59 LYS H . 51128 1 250 . 1 . 1 35 35 LYS HA H 1 3.245 0.0 . 1 . . . . . 59 LYS HA . 51128 1 251 . 1 . 1 35 35 LYS HB2 H 1 0.943 0.0 . 1 . . . . . 59 LYS HB2 . 51128 1 252 . 1 . 1 35 35 LYS HB3 H 1 1.232 0.0 . 1 . . . . . 59 LYS HB3 . 51128 1 253 . 1 . 1 35 35 LYS HG2 H 1 0.968 0.0 . 1 . . . . . 59 LYS HG2 . 51128 1 254 . 1 . 1 35 35 LYS HG3 H 1 1.103 0.0 . 1 . . . . . 59 LYS HG3 . 51128 1 255 . 1 . 1 35 35 LYS HD2 H 1 1.457 0.0 . 1 . . . . . 59 LYS HD2 . 51128 1 256 . 1 . 1 35 35 LYS HD3 H 1 1.4 0.0 . 1 . . . . . 59 LYS HD3 . 51128 1 257 . 1 . 1 35 35 LYS HE2 H 1 2.919 0.0 . 1 . . . . . 59 LYS HE2 . 51128 1 258 . 1 . 1 35 35 LYS HE3 H 1 2.872 0.0 . 1 . . . . . 59 LYS HE3 . 51128 1 259 . 1 . 1 35 35 LYS CA C 13 60.266 0.0 . 1 . . . . . 59 LYS CA . 51128 1 260 . 1 . 1 35 35 LYS CB C 13 31.548 0.0 . 1 . . . . . 59 LYS CB . 51128 1 261 . 1 . 1 35 35 LYS CG C 13 23.683 0.0 . 1 . . . . . 59 LYS CG . 51128 1 262 . 1 . 1 35 35 LYS CD C 13 29.99 0.0 . 1 . . . . . 59 LYS CD . 51128 1 263 . 1 . 1 35 35 LYS CE C 13 41.943 0.0 . 1 . . . . . 59 LYS CE . 51128 1 264 . 1 . 1 35 35 LYS N N 15 118.933 0.0 . 1 . . . . . 59 LYS N . 51128 1 265 . 1 . 1 36 36 ALA H H 1 7.988 0.0 . 1 . . . . . 60 ALA H . 51128 1 266 . 1 . 1 36 36 ALA HA H 1 4.184 0.0 . 1 . . . . . 60 ALA HA . 51128 1 267 . 1 . 1 36 36 ALA HB1 H 1 1.368 0.0 . 1 . . . . . 60 ALA HB1 . 51128 1 268 . 1 . 1 36 36 ALA HB2 H 1 1.368 0.0 . 1 . . . . . 60 ALA HB2 . 51128 1 269 . 1 . 1 36 36 ALA HB3 H 1 1.368 0.0 . 1 . . . . . 60 ALA HB3 . 51128 1 270 . 1 . 1 36 36 ALA CA C 13 53.541 0.0 . 1 . . . . . 60 ALA CA . 51128 1 271 . 1 . 1 36 36 ALA CB C 13 19.247 0.0 . 1 . . . . . 60 ALA CB . 51128 1 272 . 1 . 1 36 36 ALA N N 15 117.735 0.0 . 1 . . . . . 60 ALA N . 51128 1 273 . 1 . 1 37 37 VAL H H 1 7.917 0.0 . 1 . . . . . 61 VAL H . 51128 1 274 . 1 . 1 37 37 VAL HA H 1 4.494 0.0 . 1 . . . . . 61 VAL HA . 51128 1 275 . 1 . 1 37 37 VAL HB H 1 2.533 0.0 . 1 . . . . . 61 VAL HB . 51128 1 276 . 1 . 1 37 37 VAL HG11 H 1 0.959 0.0 . 1 . . . . . 61 VAL HG11 . 51128 1 277 . 1 . 1 37 37 VAL HG12 H 1 0.959 0.0 . 2 . . . . . 61 VAL HG12 . 51128 1 278 . 1 . 1 37 37 VAL HG13 H 1 0.959 0.0 . 2 . . . . . 61 VAL HG13 . 51128 1 279 . 1 . 1 37 37 VAL HG21 H 1 0.894 0.0 . 1 . . . . . 61 VAL HG21 . 51128 1 280 . 1 . 1 37 37 VAL HG22 H 1 0.894 0.0 . 2 . . . . . 61 VAL HG22 . 51128 1 281 . 1 . 1 37 37 VAL HG23 H 1 0.894 0.0 . 2 . . . . . 61 VAL HG23 . 51128 1 282 . 1 . 1 37 37 VAL CA C 13 60.054 0.0 . 1 . . . . . 61 VAL CA . 51128 1 283 . 1 . 1 37 37 VAL CB C 13 31.93 0.0 . 1 . . . . . 61 VAL CB . 51128 1 284 . 1 . 1 37 37 VAL CG1 C 13 21.321 0.0 . 1 . . . . . 61 VAL CG1 . 51128 1 285 . 1 . 1 37 37 VAL CG2 C 13 19.173 0.0 . 1 . . . . . 61 VAL CG2 . 51128 1 286 . 1 . 1 37 37 VAL N N 15 109.673 0.0 . 1 . . . . . 61 VAL N . 51128 1 287 . 1 . 1 38 38 LEU H H 1 6.727 0.0 . 1 . . . . . 62 LEU H . 51128 1 288 . 1 . 1 38 38 LEU HA H 1 4.421 0.0 . 1 . . . . . 62 LEU HA . 51128 1 289 . 1 . 1 38 38 LEU HB2 H 1 1.17 0.0 . 1 . . . . . 62 LEU HB2 . 51128 1 290 . 1 . 1 38 38 LEU HB3 H 1 1.493 0.0 . 1 . . . . . 62 LEU HB3 . 51128 1 291 . 1 . 1 38 38 LEU HG H 1 1.658 0.0 . 1 . . . . . 62 LEU HG . 51128 1 292 . 1 . 1 38 38 LEU HD11 H 1 0.798 0.0 . 2 . . . . . 62 LEU HD11 . 51128 1 293 . 1 . 1 38 38 LEU HD12 H 1 0.798 0.0 . 2 . . . . . 62 LEU HD12 . 51128 1 294 . 1 . 1 38 38 LEU HD13 H 1 0.798 0.0 . 2 . . . . . 62 LEU HD13 . 51128 1 295 . 1 . 1 38 38 LEU HD21 H 1 0.659 0.0 . 2 . . . . . 62 LEU HD21 . 51128 1 296 . 1 . 1 38 38 LEU HD22 H 1 0.659 0.0 . 2 . . . . . 62 LEU HD22 . 51128 1 297 . 1 . 1 38 38 LEU HD23 H 1 0.659 0.0 . 2 . . . . . 62 LEU HD23 . 51128 1 298 . 1 . 1 38 38 LEU CA C 13 54.65 0.0 . 1 . . . . . 62 LEU CA . 51128 1 299 . 1 . 1 38 38 LEU CB C 13 43.544 0.0 . 1 . . . . . 62 LEU CB . 51128 1 300 . 1 . 1 38 38 LEU CG C 13 25.91 0.0 . 1 . . . . . 62 LEU CG . 51128 1 301 . 1 . 1 38 38 LEU CD1 C 13 22.924 0.0 . 2 . . . . . 62 LEU CD1 . 51128 1 302 . 1 . 1 38 38 LEU N N 15 121.639 0.0 . 1 . . . . . 62 LEU N . 51128 1 303 . 1 . 1 39 39 TYR H H 1 7.928 0.0 . 1 . . . . . 63 TYR H . 51128 1 304 . 1 . 1 39 39 TYR HA H 1 4.795 0.0 . 1 . . . . . 63 TYR HA . 51128 1 305 . 1 . 1 39 39 TYR HB2 H 1 3.143 0.0 . 2 . . . . . 63 TYR HB2 . 51128 1 306 . 1 . 1 39 39 TYR CA C 13 56.63 0.0 . 1 . . . . . 63 TYR CA . 51128 1 307 . 1 . 1 39 39 TYR CB C 13 42.486 0.0 . 1 . . . . . 63 TYR CB . 51128 1 308 . 1 . 1 39 39 TYR N N 15 118.422 0.0 . 1 . . . . . 63 TYR N . 51128 1 309 . 1 . 1 40 40 MET H H 1 8.81 0.0 . 1 . . . . . 64 MET H . 51128 1 310 . 1 . 1 40 40 MET HA H 1 4.174 0.0 . 1 . . . . . 64 MET HA . 51128 1 311 . 1 . 1 40 40 MET HB2 H 1 1.909 0.0 . 2 . . . . . 64 MET HB2 . 51128 1 312 . 1 . 1 40 40 MET CA C 13 57.672 0.0 . 1 . . . . . 64 MET CA . 51128 1 313 . 1 . 1 40 40 MET CB C 13 35.58 0.0 . 1 . . . . . 64 MET CB . 51128 1 314 . 1 . 1 40 40 MET N N 15 120.568 0.0 . 1 . . . . . 64 MET N . 51128 1 315 . 1 . 1 41 41 CYS H H 1 8.354 0.0 . 1 . . . . . 65 CYS H . 51128 1 316 . 1 . 1 41 41 CYS HA H 1 4.685 0.0 . 1 . . . . . 65 CYS HA . 51128 1 317 . 1 . 1 41 41 CYS HB2 H 1 2.643 0.0 . 1 . . . . . 65 CYS HB2 . 51128 1 318 . 1 . 1 41 41 CYS HB3 H 1 2.926 0.0 . 1 . . . . . 65 CYS HB3 . 51128 1 319 . 1 . 1 41 41 CYS CA C 13 53.803 0.0 . 1 . . . . . 65 CYS CA . 51128 1 320 . 1 . 1 41 41 CYS CB C 13 37.75 0.0 . 1 . . . . . 65 CYS CB . 51128 1 321 . 1 . 1 41 41 CYS N N 15 119.655 0.0 . 1 . . . . . 65 CYS N . 51128 1 322 . 1 . 1 42 42 LYS H H 1 8.147 0.0 . 1 . . . . . 66 LYS H . 51128 1 323 . 1 . 1 42 42 LYS HA H 1 4.895 0.0 . 1 . . . . . 66 LYS HA . 51128 1 324 . 1 . 1 42 42 LYS HB2 H 1 1.727 0.0 . 1 . . . . . 66 LYS HB2 . 51128 1 325 . 1 . 1 42 42 LYS HB3 H 1 1.88 0.0 . 1 . . . . . 66 LYS HB3 . 51128 1 326 . 1 . 1 42 42 LYS HG2 H 1 1.399 0.0 . 1 . . . . . 66 LYS HG2 . 51128 1 327 . 1 . 1 42 42 LYS HG3 H 1 1.552 0.0 . 1 . . . . . 66 LYS HG3 . 51128 1 328 . 1 . 1 42 42 LYS HD2 H 1 1.638 0.0 . 1 . . . . . 66 LYS HD2 . 51128 1 329 . 1 . 1 42 42 LYS HD3 H 1 1.937 0.0 . 1 . . . . . 66 LYS HD3 . 51128 1 330 . 1 . 1 42 42 LYS HE2 H 1 2.82 0.0 . 2 . . . . . 66 LYS HE2 . 51128 1 331 . 1 . 1 42 42 LYS CA C 13 55.069 0.0 . 1 . . . . . 66 LYS CA . 51128 1 332 . 1 . 1 42 42 LYS CB C 13 35.37 0.0 . 1 . . . . . 66 LYS CB . 51128 1 333 . 1 . 1 42 42 LYS CG C 13 33.856 0.0 . 1 . . . . . 66 LYS CG . 51128 1 334 . 1 . 1 42 42 LYS CD C 13 24.49 0.0 . 1 . . . . . 66 LYS CD . 51128 1 335 . 1 . 1 42 42 LYS CE C 13 41.303 0.0 . 1 . . . . . 66 LYS CE . 51128 1 336 . 1 . 1 42 42 LYS N N 15 121.769 0.0 . 1 . . . . . 66 LYS N . 51128 1 337 . 1 . 1 43 43 THR H H 1 9.383 0.0 . 1 . . . . . 67 THR H . 51128 1 338 . 1 . 1 43 43 THR HA H 1 5.343 0.0 . 1 . . . . . 67 THR HA . 51128 1 339 . 1 . 1 43 43 THR HB H 1 5.015 0.0 . 1 . . . . . 67 THR HB . 51128 1 340 . 1 . 1 43 43 THR CA C 13 61.768 0.0 . 1 . . . . . 67 THR CA . 51128 1 341 . 1 . 1 43 43 THR CB C 13 71.736 0.0 . 1 . . . . . 67 THR CB . 51128 1 342 . 1 . 1 43 43 THR N N 15 124.412 0.0 . 1 . . . . . 67 THR N . 51128 1 343 . 1 . 1 44 44 VAL H H 1 9.003 0.0 . 1 . . . . . 68 VAL H . 51128 1 344 . 1 . 1 44 44 VAL HA H 1 4.452 0.0 . 1 . . . . . 68 VAL HA . 51128 1 345 . 1 . 1 44 44 VAL HB H 1 1.897 0.0 . 1 . . . . . 68 VAL HB . 51128 1 346 . 1 . 1 44 44 VAL HG11 H 1 0.853 0.0 . 2 . . . . . 68 VAL HG11 . 51128 1 347 . 1 . 1 44 44 VAL HG12 H 1 0.853 0.0 . 2 . . . . . 68 VAL HG12 . 51128 1 348 . 1 . 1 44 44 VAL HG13 H 1 0.853 0.0 . 2 . . . . . 68 VAL HG13 . 51128 1 349 . 1 . 1 44 44 VAL HG21 H 1 0.78 0.0 . 2 . . . . . 68 VAL HG21 . 51128 1 350 . 1 . 1 44 44 VAL HG22 H 1 0.78 0.0 . 2 . . . . . 68 VAL HG22 . 51128 1 351 . 1 . 1 44 44 VAL HG23 H 1 0.78 0.0 . 2 . . . . . 68 VAL HG23 . 51128 1 352 . 1 . 1 44 44 VAL CA C 13 61.571 0.0 . 1 . . . . . 68 VAL CA . 51128 1 353 . 1 . 1 44 44 VAL CB C 13 33.399 0.0 . 1 . . . . . 68 VAL CB . 51128 1 354 . 1 . 1 44 44 VAL CG1 C 13 21.659 0.0 . 2 . . . . . 68 VAL CG1 . 51128 1 355 . 1 . 1 44 44 VAL CG2 C 13 21.559 0.0 . 2 . . . . . 68 VAL CG2 . 51128 1 356 . 1 . 1 44 44 VAL N N 15 126.738 0.0 . 1 . . . . . 68 VAL N . 51128 1 357 . 1 . 1 45 45 VAL H H 1 9.371 0.0 . 1 . . . . . 69 VAL H . 51128 1 358 . 1 . 1 45 45 VAL HA H 1 4.592 0.0 . 1 . . . . . 69 VAL HA . 51128 1 359 . 1 . 1 45 45 VAL HB H 1 2.296 0.0 . 1 . . . . . 69 VAL HB . 51128 1 360 . 1 . 1 45 45 VAL HG11 H 1 0.881 0.0 . 2 . . . . . 69 VAL HG11 . 51128 1 361 . 1 . 1 45 45 VAL HG12 H 1 0.881 0.0 . 2 . . . . . 69 VAL HG12 . 51128 1 362 . 1 . 1 45 45 VAL HG13 H 1 0.881 0.0 . 2 . . . . . 69 VAL HG13 . 51128 1 363 . 1 . 1 45 45 VAL HG21 H 1 0.947 0.0 . 2 . . . . . 69 VAL HG21 . 51128 1 364 . 1 . 1 45 45 VAL HG22 H 1 0.947 0.0 . 2 . . . . . 69 VAL HG22 . 51128 1 365 . 1 . 1 45 45 VAL HG23 H 1 0.947 0.0 . 2 . . . . . 69 VAL HG23 . 51128 1 366 . 1 . 1 45 45 VAL CA C 13 61.843 0.0 . 1 . . . . . 69 VAL CA . 51128 1 367 . 1 . 1 45 45 VAL CB C 13 32.829 0.0 . 1 . . . . . 69 VAL CB . 51128 1 368 . 1 . 1 45 45 VAL CG1 C 13 23.677 0.0 . 2 . . . . . 69 VAL CG1 . 51128 1 369 . 1 . 1 45 45 VAL CG2 C 13 21.651 0.0 . 2 . . . . . 69 VAL CG2 . 51128 1 370 . 1 . 1 45 45 VAL N N 15 130.875 0.0 . 1 . . . . . 69 VAL N . 51128 1 371 . 1 . 1 46 46 ALA H H 1 9.3 0.0 . 1 . . . . . 70 ALA H . 51128 1 372 . 1 . 1 46 46 ALA HA H 1 5.088 0.0 . 1 . . . . . 70 ALA HA . 51128 1 373 . 1 . 1 46 46 ALA HB1 H 1 1.467 0.0 . 1 . . . . . 70 ALA HB1 . 51128 1 374 . 1 . 1 46 46 ALA HB2 H 1 1.467 0.0 . 1 . . . . . 70 ALA HB2 . 51128 1 375 . 1 . 1 46 46 ALA HB3 H 1 1.467 0.0 . 1 . . . . . 70 ALA HB3 . 51128 1 376 . 1 . 1 46 46 ALA CA C 13 49.745 0.0 . 1 . . . . . 70 ALA CA . 51128 1 377 . 1 . 1 46 46 ALA CB C 13 21.464 0.0 . 1 . . . . . 70 ALA CB . 51128 1 378 . 1 . 1 46 46 ALA N N 15 107.491 0.0 . 1 . . . . . 70 ALA N . 51128 1 379 . 1 . 1 47 47 PRO HA H 1 4.778 0.0 . 1 . . . . . 71 PRO HA . 51128 1 380 . 1 . 1 47 47 PRO HB2 H 1 1.969 0.0 . 1 . . . . . 71 PRO HB2 . 51128 1 381 . 1 . 1 47 47 PRO HB3 H 1 2.409 0.0 . 1 . . . . . 71 PRO HB3 . 51128 1 382 . 1 . 1 47 47 PRO HG2 H 1 1.962 0.0 . 1 . . . . . 71 PRO HG2 . 51128 1 383 . 1 . 1 47 47 PRO HG3 H 1 2.065 0.0 . 1 . . . . . 71 PRO HG3 . 51128 1 384 . 1 . 1 47 47 PRO HD2 H 1 4.345 0.0 . 1 . . . . . 71 PRO HD2 . 51128 1 385 . 1 . 1 47 47 PRO HD3 H 1 4.412 0.0 . 1 . . . . . 71 PRO HD3 . 51128 1 386 . 1 . 1 47 47 PRO CA C 13 62.974 0.0 . 1 . . . . . 71 PRO CA . 51128 1 387 . 1 . 1 47 47 PRO CB C 13 32.253 0.0 . 1 . . . . . 71 PRO CB . 51128 1 388 . 1 . 1 48 48 SER H H 1 8.062 0.0 . 1 . . . . . 72 SER H . 51128 1 389 . 1 . 1 48 48 SER HA H 1 4.902 0.0 . 1 . . . . . 72 SER HA . 51128 1 390 . 1 . 1 48 48 SER HB2 H 1 3.461 0.0 . 1 . . . . . 72 SER HB2 . 51128 1 391 . 1 . 1 48 48 SER HB3 H 1 4.058 0.0 . 1 . . . . . 72 SER HB3 . 51128 1 392 . 1 . 1 48 48 SER CA C 13 55.621 0.0 . 1 . . . . . 72 SER CA . 51128 1 393 . 1 . 1 48 48 SER CB C 13 65.286 0.0 . 1 . . . . . 72 SER CB . 51128 1 394 . 1 . 1 48 48 SER N N 15 117.437 0.0 . 1 . . . . . 72 SER N . 51128 1 395 . 1 . 1 49 49 THR HA H 1 4.119 0.0 . 1 . . . . . 73 THR HA . 51128 1 396 . 1 . 1 49 49 THR HB H 1 4.32 0.0 . 1 . . . . . 73 THR HB . 51128 1 397 . 1 . 1 49 49 THR HG1 H 1 1.31 0.0 . 1 . . . . . 73 THR HG1 . 51128 1 398 . 1 . 1 49 49 THR HG21 H 1 1.314 0.0 . 1 . . . . . 73 THR HG21 . 51128 1 399 . 1 . 1 49 49 THR HG22 H 1 1.314 0.0 . 1 . . . . . 73 THR HG22 . 51128 1 400 . 1 . 1 49 49 THR HG23 H 1 1.314 0.0 . 1 . . . . . 73 THR HG23 . 51128 1 401 . 1 . 1 49 49 THR CA C 13 64.649 0.0 . 1 . . . . . 73 THR CA . 51128 1 402 . 1 . 1 49 49 THR CB C 13 68.643 0.0 . 1 . . . . . 73 THR CB . 51128 1 403 . 1 . 1 50 50 GLU H H 1 8.226 0.0 . 1 . . . . . 74 GLU H . 51128 1 404 . 1 . 1 50 50 GLU HA H 1 4.438 0.0 . 1 . . . . . 74 GLU HA . 51128 1 405 . 1 . 1 50 50 GLU HB2 H 1 2.011 0.0 . 1 . . . . . 74 GLU HB2 . 51128 1 406 . 1 . 1 50 50 GLU HB3 H 1 2.285 0.0 . 1 . . . . . 74 GLU HB3 . 51128 1 407 . 1 . 1 50 50 GLU HG2 H 1 2.562 0.0 . 1 . . . . . 74 GLU HG2 . 51128 1 408 . 1 . 1 50 50 GLU HG3 H 1 2.286 0.0 . 1 . . . . . 74 GLU HG3 . 51128 1 409 . 1 . 1 50 50 GLU CA C 13 56.606 0.0 . 1 . . . . . 74 GLU CA . 51128 1 410 . 1 . 1 50 50 GLU CB C 13 29.367 0.0 . 1 . . . . . 74 GLU CB . 51128 1 411 . 1 . 1 50 50 GLU CG C 13 36.827 0.0 . 1 . . . . . 74 GLU CG . 51128 1 412 . 1 . 1 50 50 GLU N N 15 118.532 0.0 . 1 . . . . . 74 GLU N . 51128 1 413 . 1 . 1 51 51 GLY H H 1 7.752 0.0 . 1 . . . . . 75 GLY H . 51128 1 414 . 1 . 1 51 51 GLY HA2 H 1 4.454 0.0 . 1 . . . . . 75 GLY HA2 . 51128 1 415 . 1 . 1 51 51 GLY HA3 H 1 3.874 0.0 . 1 . . . . . 75 GLY HA3 . 51128 1 416 . 1 . 1 51 51 GLY CA C 13 45.492 0.0 . 1 . . . . . 75 GLY CA . 51128 1 417 . 1 . 1 51 51 GLY N N 15 106.467 0.0 . 1 . . . . . 75 GLY N . 51128 1 418 . 1 . 1 52 52 GLY H H 1 7.829 0.0 . 1 . . . . . 76 GLY H . 51128 1 419 . 1 . 1 52 52 GLY HA2 H 1 4.666 0.0 . 1 . . . . . 76 GLY HA2 . 51128 1 420 . 1 . 1 52 52 GLY HA3 H 1 4.174 0.0 . 1 . . . . . 76 GLY HA3 . 51128 1 421 . 1 . 1 52 52 GLY CA C 13 43.998 0.0 . 1 . . . . . 76 GLY CA . 51128 1 422 . 1 . 1 52 52 GLY N N 15 108.58 0.0 . 1 . . . . . 76 GLY N . 51128 1 423 . 1 . 1 53 53 LEU H H 1 8.336 0.0 . 1 . . . . . 77 LEU H . 51128 1 424 . 1 . 1 53 53 LEU HA H 1 5.084 0.0 . 1 . . . . . 77 LEU HA . 51128 1 425 . 1 . 1 53 53 LEU HB2 H 1 1.064 0.0 . 1 . . . . . 77 LEU HB2 . 51128 1 426 . 1 . 1 53 53 LEU HB3 H 1 1.275 0.0 . 1 . . . . . 77 LEU HB3 . 51128 1 427 . 1 . 1 53 53 LEU HG H 1 1.373 0.0 . 1 . . . . . 77 LEU HG . 51128 1 428 . 1 . 1 53 53 LEU HD11 H 1 0.746 0.0 . 1 . . . . . 77 LEU HD11 . 51128 1 429 . 1 . 1 53 53 LEU HD12 H 1 0.746 0.0 . 2 . . . . . 77 LEU HD12 . 51128 1 430 . 1 . 1 53 53 LEU HD13 H 1 0.746 0.0 . 2 . . . . . 77 LEU HD13 . 51128 1 431 . 1 . 1 53 53 LEU HD21 H 1 0.605 0.0 . 1 . . . . . 77 LEU HD21 . 51128 1 432 . 1 . 1 53 53 LEU HD22 H 1 0.605 0.0 . 2 . . . . . 77 LEU HD22 . 51128 1 433 . 1 . 1 53 53 LEU HD23 H 1 0.605 0.0 . 2 . . . . . 77 LEU HD23 . 51128 1 434 . 1 . 1 53 53 LEU CA C 13 53.395 0.0 . 1 . . . . . 77 LEU CA . 51128 1 435 . 1 . 1 53 53 LEU CB C 13 47.24 0.0 . 1 . . . . . 77 LEU CB . 51128 1 436 . 1 . 1 53 53 LEU CG C 13 27.017 0.0 . 1 . . . . . 77 LEU CG . 51128 1 437 . 1 . 1 53 53 LEU CD1 C 13 24.016 0.0 . 1 . . . . . 77 LEU CD1 . 51128 1 438 . 1 . 1 53 53 LEU CD2 C 13 25.172 0.0 . 1 . . . . . 77 LEU CD2 . 51128 1 439 . 1 . 1 53 53 LEU N N 15 120.316 0.0 . 1 . . . . . 77 LEU N . 51128 1 440 . 1 . 1 54 54 ASN H H 1 9.433 0.0 . 1 . . . . . 78 ASN H . 51128 1 441 . 1 . 1 54 54 ASN HA H 1 5.157 0.0 . 1 . . . . . 78 ASN HA . 51128 1 442 . 1 . 1 54 54 ASN HB2 H 1 2.463 0.0 . 2 . . . . . 78 ASN HB2 . 51128 1 443 . 1 . 1 54 54 ASN CA C 13 52.288 0.0 . 1 . . . . . 78 ASN CA . 51128 1 444 . 1 . 1 54 54 ASN CB C 13 40.871 0.0 . 1 . . . . . 78 ASN CB . 51128 1 445 . 1 . 1 54 54 ASN N N 15 120.51 0.0 . 1 . . . . . 78 ASN N . 51128 1 446 . 1 . 1 55 55 LEU H H 1 9.412 0.0 . 1 . . . . . 79 LEU H . 51128 1 447 . 1 . 1 55 55 LEU HA H 1 4.816 0.0 . 1 . . . . . 79 LEU HA . 51128 1 448 . 1 . 1 55 55 LEU HB2 H 1 1.388 0.0 . 1 . . . . . 79 LEU HB2 . 51128 1 449 . 1 . 1 55 55 LEU HB3 H 1 1.639 0.0 . 1 . . . . . 79 LEU HB3 . 51128 1 450 . 1 . 1 55 55 LEU HG H 1 1.828 0.0 . 1 . . . . . 79 LEU HG . 51128 1 451 . 1 . 1 55 55 LEU HD11 H 1 0.619 0.0 . 1 . . . . . 79 LEU HD11 . 51128 1 452 . 1 . 1 55 55 LEU HD12 H 1 0.619 0.0 . 2 . . . . . 79 LEU HD12 . 51128 1 453 . 1 . 1 55 55 LEU HD13 H 1 0.619 0.0 . 2 . . . . . 79 LEU HD13 . 51128 1 454 . 1 . 1 55 55 LEU HD21 H 1 0.694 0.0 . 1 . . . . . 79 LEU HD21 . 51128 1 455 . 1 . 1 55 55 LEU HD22 H 1 0.694 0.0 . 2 . . . . . 79 LEU HD22 . 51128 1 456 . 1 . 1 55 55 LEU HD23 H 1 0.694 0.0 . 2 . . . . . 79 LEU HD23 . 51128 1 457 . 1 . 1 55 55 LEU CA C 13 54.539 0.0 . 1 . . . . . 79 LEU CA . 51128 1 458 . 1 . 1 55 55 LEU CB C 13 42.679 0.0 . 1 . . . . . 79 LEU CB . 51128 1 459 . 1 . 1 55 55 LEU CG C 13 32.204 0.0 . 1 . . . . . 79 LEU CG . 51128 1 460 . 1 . 1 55 55 LEU CD1 C 13 29.062 0.0 . 1 . . . . . 79 LEU CD1 . 51128 1 461 . 1 . 1 55 55 LEU CD2 C 13 22.861 0.0 . 1 . . . . . 79 LEU CD2 . 51128 1 462 . 1 . 1 55 55 LEU N N 15 128.227 0.0 . 1 . . . . . 79 LEU N . 51128 1 463 . 1 . 1 56 56 THR H H 1 8.95 0.0 . 1 . . . . . 80 THR H . 51128 1 464 . 1 . 1 56 56 THR HA H 1 4.881 0.0 . 1 . . . . . 80 THR HA . 51128 1 465 . 1 . 1 56 56 THR HB H 1 4.038 0.0 . 1 . . . . . 80 THR HB . 51128 1 466 . 1 . 1 56 56 THR HG1 H 1 1.065 0.0 . 1 . . . . . 80 THR HG1 . 51128 1 467 . 1 . 1 56 56 THR HG21 H 1 1.063 0.0 . 1 . . . . . 80 THR HG21 . 51128 1 468 . 1 . 1 56 56 THR HG22 H 1 1.063 0.0 . 1 . . . . . 80 THR HG22 . 51128 1 469 . 1 . 1 56 56 THR HG23 H 1 1.063 0.0 . 1 . . . . . 80 THR HG23 . 51128 1 470 . 1 . 1 56 56 THR CA C 13 62.334 0.0 . 1 . . . . . 80 THR CA . 51128 1 471 . 1 . 1 56 56 THR CB C 13 68.955 0.0 . 1 . . . . . 80 THR CB . 51128 1 472 . 1 . 1 56 56 THR CG2 C 13 21.356 0.0 . 1 . . . . . 80 THR CG2 . 51128 1 473 . 1 . 1 56 56 THR N N 15 122.624 0.0 . 1 . . . . . 80 THR N . 51128 1 474 . 1 . 1 57 57 SER H H 1 9.48 0.0 . 1 . . . . . 81 SER H . 51128 1 475 . 1 . 1 57 57 SER HA H 1 4.495 0.0 . 1 . . . . . 81 SER HA . 51128 1 476 . 1 . 1 57 57 SER HB2 H 1 3.853 0.0 . 2 . . . . . 81 SER HB2 . 51128 1 477 . 1 . 1 57 57 SER CA C 13 57.927 0.0 . 1 . . . . . 81 SER CA . 51128 1 478 . 1 . 1 57 57 SER CB C 13 64.727 0.0 . 1 . . . . . 81 SER CB . 51128 1 479 . 1 . 1 57 57 SER N N 15 127.453 0.0 . 1 . . . . . 81 SER N . 51128 1 480 . 1 . 1 58 58 THR H H 1 9.209 0.0 . 1 . . . . . 82 THR H . 51128 1 481 . 1 . 1 58 58 THR HA H 1 5.465 0.0 . 1 . . . . . 82 THR HA . 51128 1 482 . 1 . 1 58 58 THR HB H 1 3.831 0.0 . 1 . . . . . 82 THR HB . 51128 1 483 . 1 . 1 58 58 THR HG1 H 1 1.181 0.0 . 1 . . . . . 82 THR HG1 . 51128 1 484 . 1 . 1 58 58 THR HG21 H 1 1.18 0.0 . 1 . . . . . 82 THR HG21 . 51128 1 485 . 1 . 1 58 58 THR HG22 H 1 1.18 0.0 . 1 . . . . . 82 THR HG22 . 51128 1 486 . 1 . 1 58 58 THR HG23 H 1 1.18 0.0 . 1 . . . . . 82 THR HG23 . 51128 1 487 . 1 . 1 58 58 THR CA C 13 61.533 0.0 . 1 . . . . . 82 THR CA . 51128 1 488 . 1 . 1 58 58 THR CB C 13 70.945 0.0 . 1 . . . . . 82 THR CB . 51128 1 489 . 1 . 1 58 58 THR CG2 C 13 21.596 0.0 . 1 . . . . . 82 THR CG2 . 51128 1 490 . 1 . 1 58 58 THR N N 15 120.972 0.0 . 1 . . . . . 82 THR N . 51128 1 491 . 1 . 1 59 59 PHE H H 1 8.766 0.0 . 1 . . . . . 83 PHE H . 51128 1 492 . 1 . 1 59 59 PHE HA H 1 4.892 0.0 . 1 . . . . . 83 PHE HA . 51128 1 493 . 1 . 1 59 59 PHE CA C 13 54.436 0.0 . 1 . . . . . 83 PHE CA . 51128 1 494 . 1 . 1 59 59 PHE CB C 13 42.988 0.0 . 1 . . . . . 83 PHE CB . 51128 1 495 . 1 . 1 59 59 PHE N N 15 121.811 0.0 . 1 . . . . . 83 PHE N . 51128 1 496 . 1 . 1 62 62 LYS HA H 1 3.859 0.0 . 1 . . . . . 86 LYS HA . 51128 1 497 . 1 . 1 62 62 LYS HB2 H 1 1.75 0.0 . 1 . . . . . 86 LYS HB2 . 51128 1 498 . 1 . 1 62 62 LYS HB3 H 1 1.997 0.0 . 1 . . . . . 86 LYS HB3 . 51128 1 499 . 1 . 1 62 62 LYS HG2 H 1 1.475 0.0 . 2 . . . . . 86 LYS HG2 . 51128 1 500 . 1 . 1 62 62 LYS HD2 H 1 1.482 0.0 . 2 . . . . . 86 LYS HD2 . 51128 1 501 . 1 . 1 62 62 LYS HE2 H 1 3.023 0.0 . 2 . . . . . 86 LYS HE2 . 51128 1 502 . 1 . 1 62 62 LYS CA C 13 58.408 0.0 . 1 . . . . . 86 LYS CA . 51128 1 503 . 1 . 1 62 62 LYS CB C 13 30.036 0.0 . 1 . . . . . 86 LYS CB . 51128 1 504 . 1 . 1 62 62 LYS CG C 13 25.536 0.0 . 1 . . . . . 86 LYS CG . 51128 1 505 . 1 . 1 62 62 LYS CD C 13 25.699 0.0 . 1 . . . . . 86 LYS CD . 51128 1 506 . 1 . 1 62 62 LYS CE C 13 41.99 0.0 . 1 . . . . . 86 LYS CE . 51128 1 507 . 1 . 1 63 63 ASN H H 1 8.662 0.0 . 1 . . . . . 87 ASN H . 51128 1 508 . 1 . 1 63 63 ASN HA H 1 4.443 0.0 . 1 . . . . . 87 ASN HA . 51128 1 509 . 1 . 1 63 63 ASN HB2 H 1 2.854 0.0 . 1 . . . . . 87 ASN HB2 . 51128 1 510 . 1 . 1 63 63 ASN HB3 H 1 3.089 0.0 . 1 . . . . . 87 ASN HB3 . 51128 1 511 . 1 . 1 63 63 ASN CA C 13 54.225 0.0 . 1 . . . . . 87 ASN CA . 51128 1 512 . 1 . 1 63 63 ASN CB C 13 38.983 0.0 . 1 . . . . . 87 ASN CB . 51128 1 513 . 1 . 1 63 63 ASN N N 15 112.722 0.0 . 1 . . . . . 87 ASN N . 51128 1 514 . 1 . 1 64 64 GLN H H 1 8.044 0.0 . 1 . . . . . 88 GLN H . 51128 1 515 . 1 . 1 64 64 GLN HA H 1 4.701 0.0 . 1 . . . . . 88 GLN HA . 51128 1 516 . 1 . 1 64 64 GLN HB2 H 1 1.999 0.0 . 1 . . . . . 88 GLN HB2 . 51128 1 517 . 1 . 1 64 64 GLN HB3 H 1 2.149 0.0 . 1 . . . . . 88 GLN HB3 . 51128 1 518 . 1 . 1 64 64 GLN HG2 H 1 2.38 0.0 . 1 . . . . . 88 GLN HG2 . 51128 1 519 . 1 . 1 64 64 GLN HG3 H 1 2.391 0.0 . 1 . . . . . 88 GLN HG3 . 51128 1 520 . 1 . 1 64 64 GLN CA C 13 53.846 0.0 . 1 . . . . . 88 GLN CA . 51128 1 521 . 1 . 1 64 64 GLN CB C 13 32.299 0.0 . 1 . . . . . 88 GLN CB . 51128 1 522 . 1 . 1 64 64 GLN N N 15 118.373 0.0 . 1 . . . . . 88 GLN N . 51128 1 523 . 1 . 1 65 65 CYS H H 1 8.671 0.0 . 1 . . . . . 89 CYS H . 51128 1 524 . 1 . 1 65 65 CYS HA H 1 5.332 0.0 . 1 . . . . . 89 CYS HA . 51128 1 525 . 1 . 1 65 65 CYS HB2 H 1 2.772 0.0 . 2 . . . . . 89 CYS HB2 . 51128 1 526 . 1 . 1 65 65 CYS CA C 13 52.772 0.0 . 1 . . . . . 89 CYS CA . 51128 1 527 . 1 . 1 65 65 CYS CB C 13 36.592 0.0 . 1 . . . . . 89 CYS CB . 51128 1 528 . 1 . 1 65 65 CYS N N 15 119.257 0.0 . 1 . . . . . 89 CYS N . 51128 1 529 . 1 . 1 66 66 GLU H H 1 8.992 0.0 . 1 . . . . . 90 GLU H . 51128 1 530 . 1 . 1 66 66 GLU HA H 1 4.49 0.0 . 1 . . . . . 90 GLU HA . 51128 1 531 . 1 . 1 66 66 GLU HB2 H 1 1.115 0.0 . 1 . . . . . 90 GLU HB2 . 51128 1 532 . 1 . 1 66 66 GLU HB3 H 1 1.514 0.0 . 1 . . . . . 90 GLU HB3 . 51128 1 533 . 1 . 1 66 66 GLU HG2 H 1 2.091 0.0 . 1 . . . . . 90 GLU HG2 . 51128 1 534 . 1 . 1 66 66 GLU HG3 H 1 2.101 0.0 . 1 . . . . . 90 GLU HG3 . 51128 1 535 . 1 . 1 66 66 GLU CA C 13 54.945 0.0 . 1 . . . . . 90 GLU CA . 51128 1 536 . 1 . 1 66 66 GLU CB C 13 33.62 0.0 . 1 . . . . . 90 GLU CB . 51128 1 537 . 1 . 1 66 66 GLU CG C 13 36.647 0.0 . 1 . . . . . 90 GLU CG . 51128 1 538 . 1 . 1 66 66 GLU N N 15 127.378 0.0 . 1 . . . . . 90 GLU N . 51128 1 539 . 1 . 1 67 67 THR H H 1 8.145 0.0 . 1 . . . . . 91 THR H . 51128 1 540 . 1 . 1 67 67 THR HA H 1 4.28 0.0 . 1 . . . . . 91 THR HA . 51128 1 541 . 1 . 1 67 67 THR HB H 1 4.051 0.0 . 1 . . . . . 91 THR HB . 51128 1 542 . 1 . 1 67 67 THR HG1 H 1 1.098 0.0 . 9 . . . . . 91 THR HG1 . 51128 1 543 . 1 . 1 67 67 THR HG21 H 1 1.098 0.0 . 1 . . . . . 91 THR HG21 . 51128 1 544 . 1 . 1 67 67 THR HG22 H 1 1.098 0.0 . 1 . . . . . 91 THR HG22 . 51128 1 545 . 1 . 1 67 67 THR HG23 H 1 1.098 0.0 . 1 . . . . . 91 THR HG23 . 51128 1 546 . 1 . 1 67 67 THR CA C 13 60.598 0.0 . 1 . . . . . 91 THR CA . 51128 1 547 . 1 . 1 67 67 THR CB C 13 71.948 0.0 . 1 . . . . . 91 THR CB . 51128 1 548 . 1 . 1 67 67 THR N N 15 114.318 0.0 . 1 . . . . . 91 THR N . 51128 1 549 . 1 . 1 68 68 LYS H H 1 9.169 0.0 . 1 . . . . . 92 LYS H . 51128 1 550 . 1 . 1 68 68 LYS HA H 1 4.804 0.0 . 1 . . . . . 92 LYS HA . 51128 1 551 . 1 . 1 68 68 LYS HB2 H 1 1.765 0.0 . 2 . . . . . 92 LYS HB2 . 51128 1 552 . 1 . 1 68 68 LYS HG2 H 1 1.475 0.0 . 2 . . . . . 92 LYS HG2 . 51128 1 553 . 1 . 1 68 68 LYS HD2 H 1 1.765 0.0 . 2 . . . . . 92 LYS HD2 . 51128 1 554 . 1 . 1 68 68 LYS HE2 H 1 2.975 0.0 . 2 . . . . . 92 LYS HE2 . 51128 1 555 . 1 . 1 68 68 LYS CA C 13 54.929 0.0 . 1 . . . . . 92 LYS CA . 51128 1 556 . 1 . 1 68 68 LYS CB C 13 37.215 0.0 . 1 . . . . . 92 LYS CB . 51128 1 557 . 1 . 1 68 68 LYS CG C 13 25.379 0.0 . 1 . . . . . 92 LYS CG . 51128 1 558 . 1 . 1 68 68 LYS CD C 13 27.71 0.0 . 1 . . . . . 92 LYS CD . 51128 1 559 . 1 . 1 68 68 LYS CE C 13 42.035 0.0 . 1 . . . . . 92 LYS CE . 51128 1 560 . 1 . 1 68 68 LYS N N 15 125.425 0.0 . 1 . . . . . 92 LYS N . 51128 1 561 . 1 . 1 69 69 ILE H H 1 8.784 0.0 . 1 . . . . . 93 ILE H . 51128 1 562 . 1 . 1 69 69 ILE HA H 1 5.064 0.0 . 1 . . . . . 93 ILE HA . 51128 1 563 . 1 . 1 69 69 ILE HB H 1 1.68 0.0 . 1 . . . . . 93 ILE HB . 51128 1 564 . 1 . 1 69 69 ILE HG12 H 1 1.52 0.0 . 1 . . . . . 93 ILE HG12 . 51128 1 565 . 1 . 1 69 69 ILE HG13 H 1 1.192 0.0 . 1 . . . . . 93 ILE HG13 . 51128 1 566 . 1 . 1 69 69 ILE HG21 H 1 0.853 0.0 . 1 . . . . . 93 ILE HG21 . 51128 1 567 . 1 . 1 69 69 ILE HG22 H 1 0.853 0.0 . 1 . . . . . 93 ILE HG22 . 51128 1 568 . 1 . 1 69 69 ILE HG23 H 1 0.853 0.0 . 1 . . . . . 93 ILE HG23 . 51128 1 569 . 1 . 1 69 69 ILE HD11 H 1 0.777 0.0 . 1 . . . . . 93 ILE HD11 . 51128 1 570 . 1 . 1 69 69 ILE HD12 H 1 0.777 0.0 . 1 . . . . . 93 ILE HD12 . 51128 1 571 . 1 . 1 69 69 ILE HD13 H 1 0.777 0.0 . 1 . . . . . 93 ILE HD13 . 51128 1 572 . 1 . 1 69 69 ILE CA C 13 60.5 0.0 . 1 . . . . . 93 ILE CA . 51128 1 573 . 1 . 1 69 69 ILE CB C 13 40.058 0.0 . 1 . . . . . 93 ILE CB . 51128 1 574 . 1 . 1 69 69 ILE CG1 C 13 28.311 0.0 . 1 . . . . . 93 ILE CG1 . 51128 1 575 . 1 . 1 69 69 ILE CG2 C 13 17.473 0.0 . 1 . . . . . 93 ILE CG2 . 51128 1 576 . 1 . 1 69 69 ILE CD1 C 13 13.935 0.0 . 1 . . . . . 93 ILE CD1 . 51128 1 577 . 1 . 1 69 69 ILE N N 15 125.514 0.0 . 1 . . . . . 93 ILE N . 51128 1 578 . 1 . 1 70 70 MET H H 1 9.082 0.0 . 1 . . . . . 94 MET H . 51128 1 579 . 1 . 1 70 70 MET HA H 1 4.81 0.0 . 1 . . . . . 94 MET HA . 51128 1 580 . 1 . 1 70 70 MET HB2 H 1 1.937 0.0 . 2 . . . . . 94 MET HB2 . 51128 1 581 . 1 . 1 70 70 MET HG2 H 1 2.384 0.0 . 1 . . . . . 94 MET HG2 . 51128 1 582 . 1 . 1 70 70 MET HG3 H 1 2.962 0.0 . 1 . . . . . 94 MET HG3 . 51128 1 583 . 1 . 1 70 70 MET HE1 H 1 1.573 0.0 . 1 . . . . . 94 MET HE1 . 51128 1 584 . 1 . 1 70 70 MET HE2 H 1 1.573 0.0 . 1 . . . . . 94 MET HE2 . 51128 1 585 . 1 . 1 70 70 MET HE3 H 1 1.573 0.0 . 1 . . . . . 94 MET HE3 . 51128 1 586 . 1 . 1 70 70 MET CA C 13 54.56 0.0 . 1 . . . . . 94 MET CA . 51128 1 587 . 1 . 1 70 70 MET CB C 13 37.074 0.0 . 1 . . . . . 94 MET CB . 51128 1 588 . 1 . 1 70 70 MET CG C 13 32.144 0.0 . 1 . . . . . 94 MET CG . 51128 1 589 . 1 . 1 70 70 MET CE C 13 18.785 0.0 . 1 . . . . . 94 MET CE . 51128 1 590 . 1 . 1 70 70 MET N N 15 127.415 0.0 . 1 . . . . . 94 MET N . 51128 1 591 . 1 . 1 71 71 VAL H H 1 8.531 0.0 . 1 . . . . . 95 VAL H . 51128 1 592 . 1 . 1 71 71 VAL HA H 1 4.704 0.0 . 1 . . . . . 95 VAL HA . 51128 1 593 . 1 . 1 71 71 VAL HB H 1 2.007 0.0 . 1 . . . . . 95 VAL HB . 51128 1 594 . 1 . 1 71 71 VAL HG11 H 1 0.998 0.0 . 2 . . . . . 95 VAL HG11 . 51128 1 595 . 1 . 1 71 71 VAL HG12 H 1 0.998 0.0 . 2 . . . . . 95 VAL HG12 . 51128 1 596 . 1 . 1 71 71 VAL HG13 H 1 0.998 0.0 . 2 . . . . . 95 VAL HG13 . 51128 1 597 . 1 . 1 71 71 VAL HG21 H 1 0.945 0.0 . 2 . . . . . 95 VAL HG21 . 51128 1 598 . 1 . 1 71 71 VAL HG22 H 1 0.945 0.0 . 2 . . . . . 95 VAL HG22 . 51128 1 599 . 1 . 1 71 71 VAL HG23 H 1 0.945 0.0 . 2 . . . . . 95 VAL HG23 . 51128 1 600 . 1 . 1 71 71 VAL CA C 13 61.911 0.0 . 1 . . . . . 95 VAL CA . 51128 1 601 . 1 . 1 71 71 VAL CB C 13 33.686 0.0 . 1 . . . . . 95 VAL CB . 51128 1 602 . 1 . 1 71 71 VAL CG1 C 13 21.193 0.0 . 2 . . . . . 95 VAL CG1 . 51128 1 603 . 1 . 1 71 71 VAL CG2 C 13 21.743 0.0 . 2 . . . . . 95 VAL CG2 . 51128 1 604 . 1 . 1 71 71 VAL N N 15 123.779 0.0 . 1 . . . . . 95 VAL N . 51128 1 605 . 1 . 1 72 72 LEU H H 1 9.331 0.0 . 1 . . . . . 96 LEU H . 51128 1 606 . 1 . 1 72 72 LEU HA H 1 5.059 0.0 . 1 . . . . . 96 LEU HA . 51128 1 607 . 1 . 1 72 72 LEU HB2 H 1 1.223 0.0 . 2 . . . . . 96 LEU HB2 . 51128 1 608 . 1 . 1 72 72 LEU HD11 H 1 0.748 0.0 . 2 . . . . . 96 LEU HD11 . 51128 1 609 . 1 . 1 72 72 LEU HD12 H 1 0.748 0.0 . 2 . . . . . 96 LEU HD12 . 51128 1 610 . 1 . 1 72 72 LEU HD13 H 1 0.748 0.0 . 2 . . . . . 96 LEU HD13 . 51128 1 611 . 1 . 1 72 72 LEU HD21 H 1 0.382 0.0 . 2 . . . . . 96 LEU HD21 . 51128 1 612 . 1 . 1 72 72 LEU HD22 H 1 0.382 0.0 . 2 . . . . . 96 LEU HD22 . 51128 1 613 . 1 . 1 72 72 LEU HD23 H 1 0.382 0.0 . 2 . . . . . 96 LEU HD23 . 51128 1 614 . 1 . 1 72 72 LEU CA C 13 53.6 0.0 . 1 . . . . . 96 LEU CA . 51128 1 615 . 1 . 1 72 72 LEU CB C 13 42.145 0.0 . 1 . . . . . 96 LEU CB . 51128 1 616 . 1 . 1 72 72 LEU CG C 13 29.111 0.0 . 1 . . . . . 96 LEU CG . 51128 1 617 . 1 . 1 72 72 LEU CD1 C 13 24.23 0.0 . 2 . . . . . 96 LEU CD1 . 51128 1 618 . 1 . 1 72 72 LEU CD2 C 13 25.152 0.0 . 2 . . . . . 96 LEU CD2 . 51128 1 619 . 1 . 1 72 72 LEU N N 15 129.549 0.0 . 1 . . . . . 96 LEU N . 51128 1 620 . 1 . 1 73 73 GLN H H 1 9.372 0.0 . 1 . . . . . 97 GLN H . 51128 1 621 . 1 . 1 73 73 GLN HA H 1 4.283 0.0 . 1 . . . . . 97 GLN HA . 51128 1 622 . 1 . 1 73 73 GLN CA C 13 53.164 0.0 . 1 . . . . . 97 GLN CA . 51128 1 623 . 1 . 1 73 73 GLN CB C 13 29.497 0.0 . 1 . . . . . 97 GLN CB . 51128 1 624 . 1 . 1 73 73 GLN N N 15 125.56 0.0 . 1 . . . . . 97 GLN N . 51128 1 625 . 1 . 1 74 74 PRO HA H 1 4.289 0.0 . 1 . . . . . 98 PRO HA . 51128 1 626 . 1 . 1 74 74 PRO HB2 H 1 2.076 0.0 . 2 . . . . . 98 PRO HB2 . 51128 1 627 . 1 . 1 74 74 PRO HG2 H 1 1.54 0.0 . 2 . . . . . 98 PRO HG2 . 51128 1 628 . 1 . 1 74 74 PRO HD2 H 1 3.886 0.0 . 2 . . . . . 98 PRO HD2 . 51128 1 629 . 1 . 1 74 74 PRO CA C 13 64.174 0.0 . 1 . . . . . 98 PRO CA . 51128 1 630 . 1 . 1 74 74 PRO CB C 13 28.763 0.0 . 1 . . . . . 98 PRO CB . 51128 1 631 . 1 . 1 75 75 ALA H H 1 8.124 0.0 . 1 . . . . . 99 ALA H . 51128 1 632 . 1 . 1 75 75 ALA HA H 1 4.693 0.0 . 1 . . . . . 99 ALA HA . 51128 1 633 . 1 . 1 75 75 ALA HB1 H 1 1.117 0.0 . 1 . . . . . 99 ALA HB1 . 51128 1 634 . 1 . 1 75 75 ALA HB2 H 1 1.117 0.0 . 1 . . . . . 99 ALA HB2 . 51128 1 635 . 1 . 1 75 75 ALA HB3 H 1 1.117 0.0 . 1 . . . . . 99 ALA HB3 . 51128 1 636 . 1 . 1 75 75 ALA CA C 13 50.759 0.0 . 1 . . . . . 99 ALA CA . 51128 1 637 . 1 . 1 75 75 ALA CB C 13 19.931 0.0 . 1 . . . . . 99 ALA CB . 51128 1 638 . 1 . 1 75 75 ALA N N 15 126.813 0.0 . 1 . . . . . 99 ALA N . 51128 1 639 . 1 . 1 76 76 GLY H H 1 7.972 0.0 . 1 . . . . . 100 GLY H . 51128 1 640 . 1 . 1 76 76 GLY HA2 H 1 4.185 0.0 . 1 . . . . . 100 GLY HA2 . 51128 1 641 . 1 . 1 76 76 GLY HA3 H 1 3.58 0.0 . 1 . . . . . 100 GLY HA3 . 51128 1 642 . 1 . 1 76 76 GLY CA C 13 45.979 0.0 . 1 . . . . . 100 GLY CA . 51128 1 643 . 1 . 1 76 76 GLY N N 15 108.329 0.0 . 1 . . . . . 100 GLY N . 51128 1 644 . 1 . 1 77 77 ALA H H 1 8.083 0.0 . 1 . . . . . 101 ALA H . 51128 1 645 . 1 . 1 77 77 ALA HA H 1 4.602 0.0 . 1 . . . . . 101 ALA HA . 51128 1 646 . 1 . 1 77 77 ALA HB1 H 1 1.277 0.0 . 1 . . . . . 101 ALA HB1 . 51128 1 647 . 1 . 1 77 77 ALA HB2 H 1 1.277 0.0 . 1 . . . . . 101 ALA HB2 . 51128 1 648 . 1 . 1 77 77 ALA HB3 H 1 1.277 0.0 . 1 . . . . . 101 ALA HB3 . 51128 1 649 . 1 . 1 77 77 ALA CA C 13 50.759 0.0 . 1 . . . . . 101 ALA CA . 51128 1 650 . 1 . 1 77 77 ALA CB C 13 18.402 0.0 . 1 . . . . . 101 ALA CB . 51128 1 651 . 1 . 1 77 77 ALA N N 15 126.684 0.0 . 1 . . . . . 101 ALA N . 51128 1 652 . 1 . 1 78 78 PRO HA H 1 4.404 0.0 . 1 . . . . . 102 PRO HA . 51128 1 653 . 1 . 1 78 78 PRO HB2 H 1 2.551 0.0 . 2 . . . . . 102 PRO HB2 . 51128 1 654 . 1 . 1 78 78 PRO HG2 H 1 2.145 0.0 . 1 . . . . . 102 PRO HG2 . 51128 1 655 . 1 . 1 78 78 PRO HG3 H 1 3.256 0.0 . 1 . . . . . 102 PRO HG3 . 51128 1 656 . 1 . 1 78 78 PRO HD2 H 1 3.655 0.0 . 1 . . . . . 102 PRO HD2 . 51128 1 657 . 1 . 1 78 78 PRO HD3 H 1 3.748 0.0 . 1 . . . . . 102 PRO HD3 . 51128 1 658 . 1 . 1 78 78 PRO CA C 13 63.846 0.0 . 1 . . . . . 102 PRO CA . 51128 1 659 . 1 . 1 78 78 PRO CB C 13 32.083 0.0 . 1 . . . . . 102 PRO CB . 51128 1 660 . 1 . 1 78 78 PRO CG C 13 27.898 0.0 . 1 . . . . . 102 PRO CG . 51128 1 661 . 1 . 1 78 78 PRO CD C 13 51.619 0.0 . 1 . . . . . 102 PRO CD . 51128 1 662 . 1 . 1 79 79 GLY H H 1 8.058 0.0 . 1 . . . . . 103 GLY H . 51128 1 663 . 1 . 1 79 79 GLY HA2 H 1 2.382 0.0 . 1 . . . . . 103 GLY HA2 . 51128 1 664 . 1 . 1 79 79 GLY HA3 H 1 3.649 0.0 . 1 . . . . . 103 GLY HA3 . 51128 1 665 . 1 . 1 79 79 GLY CA C 13 44.813 0.0 . 1 . . . . . 103 GLY CA . 51128 1 666 . 1 . 1 79 79 GLY N N 15 111.137 0.0 . 1 . . . . . 103 GLY N . 51128 1 667 . 1 . 1 80 80 HIS H H 1 7.474 0.0 . 1 . . . . . 104 HIS H . 51128 1 668 . 1 . 1 80 80 HIS HA H 1 5.366 0.0 . 1 . . . . . 104 HIS HA . 51128 1 669 . 1 . 1 80 80 HIS HB2 H 1 2.767 0.0 . 1 . . . . . 104 HIS HB2 . 51128 1 670 . 1 . 1 80 80 HIS HB3 H 1 3.079 0.0 . 1 . . . . . 104 HIS HB3 . 51128 1 671 . 1 . 1 80 80 HIS CA C 13 54.378 0.0 . 1 . . . . . 104 HIS CA . 51128 1 672 . 1 . 1 80 80 HIS CB C 13 31.757 0.0 . 1 . . . . . 104 HIS CB . 51128 1 673 . 1 . 1 80 80 HIS N N 15 118.418 0.0 . 1 . . . . . 104 HIS N . 51128 1 674 . 1 . 1 81 81 TYR H H 1 9.194 0.0 . 1 . . . . . 105 TYR H . 51128 1 675 . 1 . 1 81 81 TYR HA H 1 5.489 0.0 . 1 . . . . . 105 TYR HA . 51128 1 676 . 1 . 1 81 81 TYR HB2 H 1 2.363 0.0 . 2 . . . . . 105 TYR HB2 . 51128 1 677 . 1 . 1 81 81 TYR CA C 13 56.755 0.0 . 1 . . . . . 105 TYR CA . 51128 1 678 . 1 . 1 81 81 TYR CB C 13 44.319 0.0 . 1 . . . . . 105 TYR CB . 51128 1 679 . 1 . 1 81 81 TYR N N 15 122.397 0.0 . 1 . . . . . 105 TYR N . 51128 1 680 . 1 . 1 82 82 THR H H 1 9.387 0.0 . 1 . . . . . 106 THR H . 51128 1 681 . 1 . 1 82 82 THR HA H 1 5.612 0.0 . 1 . . . . . 106 THR HA . 51128 1 682 . 1 . 1 82 82 THR HB H 1 3.764 0.0 . 1 . . . . . 106 THR HB . 51128 1 683 . 1 . 1 82 82 THR HG21 H 1 1.084 0.0 . 1 . . . . . 106 THR HG21 . 51128 1 684 . 1 . 1 82 82 THR HG22 H 1 1.084 0.0 . 1 . . . . . 106 THR HG22 . 51128 1 685 . 1 . 1 82 82 THR HG23 H 1 1.084 0.0 . 1 . . . . . 106 THR HG23 . 51128 1 686 . 1 . 1 82 82 THR CA C 13 60.458 0.0 . 1 . . . . . 106 THR CA . 51128 1 687 . 1 . 1 82 82 THR CB C 13 72.221 0.0 . 1 . . . . . 106 THR CB . 51128 1 688 . 1 . 1 82 82 THR N N 15 111.773 0.0 . 1 . . . . . 106 THR N . 51128 1 689 . 1 . 1 83 83 TYR HA H 1 5.145 0.0 . 1 . . . . . 107 TYR HA . 51128 1 690 . 1 . 1 83 83 TYR HB2 H 1 2.92 0.0 . 2 . . . . . 107 TYR HB2 . 51128 1 691 . 1 . 1 83 83 TYR CA C 13 60.377 0.0 . 1 . . . . . 107 TYR CA . 51128 1 692 . 1 . 1 83 83 TYR CB C 13 41.776 0.0 . 1 . . . . . 107 TYR CB . 51128 1 693 . 1 . 1 84 84 SER H H 1 8.778 0.0 . 1 . . . . . 108 SER H . 51128 1 694 . 1 . 1 84 84 SER HA H 1 4.555 0.0 . 1 . . . . . 108 SER HA . 51128 1 695 . 1 . 1 84 84 SER HB2 H 1 3.62 0.0 . 2 . . . . . 108 SER HB2 . 51128 1 696 . 1 . 1 84 84 SER CA C 13 56.234 0.0 . 1 . . . . . 108 SER CA . 51128 1 697 . 1 . 1 84 84 SER CB C 13 63.168 0.0 . 1 . . . . . 108 SER CB . 51128 1 698 . 1 . 1 84 84 SER N N 15 117.625 0.0 . 1 . . . . . 108 SER N . 51128 1 699 . 1 . 1 85 85 SER H H 1 8.218 0.0 . 1 . . . . . 109 SER H . 51128 1 700 . 1 . 1 85 85 SER HA H 1 4.492 0.0 . 1 . . . . . 109 SER HA . 51128 1 701 . 1 . 1 85 85 SER HB2 H 1 4.825 0.0 . 2 . . . . . 109 SER HB2 . 51128 1 702 . 1 . 1 85 85 SER CA C 13 55.085 0.0 . 1 . . . . . 109 SER CA . 51128 1 703 . 1 . 1 85 85 SER CB C 13 63.152 0.0 . 1 . . . . . 109 SER CB . 51128 1 704 . 1 . 1 85 85 SER N N 15 121.587 0.0 . 1 . . . . . 109 SER N . 51128 1 705 . 1 . 1 88 88 SER HA H 1 4.404 0.0 . 1 . . . . . 112 SER HA . 51128 1 706 . 1 . 1 88 88 SER HB2 H 1 3.823 0.0 . 2 . . . . . 112 SER HB2 . 51128 1 707 . 1 . 1 88 88 SER CA C 13 58.45 0.0 . 1 . . . . . 112 SER CA . 51128 1 708 . 1 . 1 88 88 SER CB C 13 64.708 0.0 . 1 . . . . . 112 SER CB . 51128 1 709 . 1 . 1 89 89 GLY H H 1 8.056 0.0 . 1 . . . . . 113 GLY H . 51128 1 710 . 1 . 1 89 89 GLY HA2 H 1 4.023 0.0 . 1 . . . . . 113 GLY HA2 . 51128 1 711 . 1 . 1 89 89 GLY HA3 H 1 3.768 0.0 . 1 . . . . . 113 GLY HA3 . 51128 1 712 . 1 . 1 89 89 GLY CA C 13 46.157 0.0 . 1 . . . . . 113 GLY CA . 51128 1 713 . 1 . 1 89 89 GLY N N 15 111.566 0.0 . 1 . . . . . 113 GLY N . 51128 1 714 . 1 . 1 90 90 SER H H 1 7.519 0.0 . 1 . . . . . 114 SER H . 51128 1 715 . 1 . 1 90 90 SER HA H 1 4.535 0.0 . 1 . . . . . 114 SER HA . 51128 1 716 . 1 . 1 90 90 SER HB2 H 1 3.572 0.0 . 2 . . . . . 114 SER HB2 . 51128 1 717 . 1 . 1 90 90 SER CA C 13 57.513 0.0 . 1 . . . . . 114 SER CA . 51128 1 718 . 1 . 1 90 90 SER CB C 13 64.875 0.0 . 1 . . . . . 114 SER CB . 51128 1 719 . 1 . 1 90 90 SER N N 15 114.313 0.0 . 1 . . . . . 114 SER N . 51128 1 720 . 1 . 1 91 91 ILE H H 1 8.31 0.0 . 1 . . . . . 115 ILE H . 51128 1 721 . 1 . 1 91 91 ILE HA H 1 4.476 0.0 . 1 . . . . . 115 ILE HA . 51128 1 722 . 1 . 1 91 91 ILE HB H 1 1.731 0.0 . 1 . . . . . 115 ILE HB . 51128 1 723 . 1 . 1 91 91 ILE HG12 H 1 1.179 0.0 . 1 . . . . . 115 ILE HG12 . 51128 1 724 . 1 . 1 91 91 ILE HG13 H 1 1.227 0.0 . 1 . . . . . 115 ILE HG13 . 51128 1 725 . 1 . 1 91 91 ILE HG21 H 1 1.512 0.0 . 1 . . . . . 115 ILE HG21 . 51128 1 726 . 1 . 1 91 91 ILE HG22 H 1 1.512 0.0 . 1 . . . . . 115 ILE HG22 . 51128 1 727 . 1 . 1 91 91 ILE HG23 H 1 1.512 0.0 . 1 . . . . . 115 ILE HG23 . 51128 1 728 . 1 . 1 91 91 ILE HD11 H 1 0.791 0.0 . 1 . . . . . 115 ILE HD11 . 51128 1 729 . 1 . 1 91 91 ILE HD12 H 1 0.791 0.0 . 1 . . . . . 115 ILE HD12 . 51128 1 730 . 1 . 1 91 91 ILE HD13 H 1 0.791 0.0 . 1 . . . . . 115 ILE HD13 . 51128 1 731 . 1 . 1 91 91 ILE CA C 13 60.085 0.0 . 1 . . . . . 115 ILE CA . 51128 1 732 . 1 . 1 91 91 ILE CB C 13 37.686 0.0 . 1 . . . . . 115 ILE CB . 51128 1 733 . 1 . 1 91 91 ILE CG1 C 13 27.536 0.0 . 1 . . . . . 115 ILE CG1 . 51128 1 734 . 1 . 1 91 91 ILE CG2 C 13 17.506 0.0 . 1 . . . . . 115 ILE CG2 . 51128 1 735 . 1 . 1 91 91 ILE CD1 C 13 11.857 0.0 . 1 . . . . . 115 ILE CD1 . 51128 1 736 . 1 . 1 91 91 ILE N N 15 122.038 0.0 . 1 . . . . . 115 ILE N . 51128 1 737 . 1 . 1 92 92 HIS H H 1 9.045 0.0 . 1 . . . . . 116 HIS H . 51128 1 738 . 1 . 1 92 92 HIS HA H 1 5.161 0.0 . 1 . . . . . 116 HIS HA . 51128 1 739 . 1 . 1 92 92 HIS HB2 H 1 2.775 0.0 . 2 . . . . . 116 HIS HB2 . 51128 1 740 . 1 . 1 92 92 HIS CA C 13 53.101 0.0 . 1 . . . . . 116 HIS CA . 51128 1 741 . 1 . 1 92 92 HIS CB C 13 33.703 0.0 . 1 . . . . . 116 HIS CB . 51128 1 742 . 1 . 1 92 92 HIS N N 15 128.429 0.0 . 1 . . . . . 116 HIS N . 51128 1 743 . 1 . 1 93 93 SER H H 1 8.944 0.0 . 1 . . . . . 117 SER H . 51128 1 744 . 1 . 1 93 93 SER HA H 1 5.267 0.0 . 1 . . . . . 117 SER HA . 51128 1 745 . 1 . 1 93 93 SER HB2 H 1 3.871 0.0 . 2 . . . . . 117 SER HB2 . 51128 1 746 . 1 . 1 93 93 SER CA C 13 56.888 0.0 . 1 . . . . . 117 SER CA . 51128 1 747 . 1 . 1 93 93 SER CB C 13 64.801 0.0 . 1 . . . . . 117 SER CB . 51128 1 748 . 1 . 1 93 93 SER N N 15 115.577 0.0 . 1 . . . . . 117 SER N . 51128 1 749 . 1 . 1 94 94 VAL H H 1 9.373 0.0 . 1 . . . . . 118 VAL H . 51128 1 750 . 1 . 1 94 94 VAL HA H 1 3.963 0.0 . 1 . . . . . 118 VAL HA . 51128 1 751 . 1 . 1 94 94 VAL HB H 1 2.177 0.0 . 1 . . . . . 118 VAL HB . 51128 1 752 . 1 . 1 94 94 VAL HG11 H 1 0.91 0.0 . 2 . . . . . 118 VAL HG11 . 51128 1 753 . 1 . 1 94 94 VAL HG12 H 1 0.91 0.0 . 2 . . . . . 118 VAL HG12 . 51128 1 754 . 1 . 1 94 94 VAL HG13 H 1 0.91 0.0 . 2 . . . . . 118 VAL HG13 . 51128 1 755 . 1 . 1 94 94 VAL HG21 H 1 0.866 0.0 . 2 . . . . . 118 VAL HG21 . 51128 1 756 . 1 . 1 94 94 VAL HG22 H 1 0.866 0.0 . 2 . . . . . 118 VAL HG22 . 51128 1 757 . 1 . 1 94 94 VAL HG23 H 1 0.866 0.0 . 2 . . . . . 118 VAL HG23 . 51128 1 758 . 1 . 1 94 94 VAL CA C 13 59.924 0.0 . 1 . . . . . 118 VAL CA . 51128 1 759 . 1 . 1 94 94 VAL CB C 13 35.099 0.0 . 1 . . . . . 118 VAL CB . 51128 1 760 . 1 . 1 94 94 VAL CG1 C 13 22.716 0.0 . 2 . . . . . 118 VAL CG1 . 51128 1 761 . 1 . 1 94 94 VAL CG2 C 13 20.745 0.0 . 2 . . . . . 118 VAL CG2 . 51128 1 762 . 1 . 1 94 94 VAL N N 15 123.606 0.0 . 1 . . . . . 118 VAL N . 51128 1 763 . 1 . 1 95 95 SER H H 1 8.779 0.0 . 1 . . . . . 119 SER H . 51128 1 764 . 1 . 1 95 95 SER HA H 1 5.555 0.0 . 1 . . . . . 119 SER HA . 51128 1 765 . 1 . 1 95 95 SER HB2 H 1 3.641 0.0 . 2 . . . . . 119 SER HB2 . 51128 1 766 . 1 . 1 95 95 SER CA C 13 56.039 0.0 . 1 . . . . . 119 SER CA . 51128 1 767 . 1 . 1 95 95 SER CB C 13 65.69 0.0 . 1 . . . . . 119 SER CB . 51128 1 768 . 1 . 1 95 95 SER N N 15 121.015 0.0 . 1 . . . . . 119 SER N . 51128 1 769 . 1 . 1 96 96 VAL H H 1 8.367 0.0 . 1 . . . . . 120 VAL H . 51128 1 770 . 1 . 1 96 96 VAL HA H 1 3.958 0.0 . 1 . . . . . 120 VAL HA . 51128 1 771 . 1 . 1 96 96 VAL HB H 1 1.416 0.0 . 1 . . . . . 120 VAL HB . 51128 1 772 . 1 . 1 96 96 VAL HG11 H 1 0.465 0.0 . 2 . . . . . 120 VAL HG11 . 51128 1 773 . 1 . 1 96 96 VAL HG12 H 1 0.465 0.0 . 2 . . . . . 120 VAL HG12 . 51128 1 774 . 1 . 1 96 96 VAL HG13 H 1 0.465 0.0 . 2 . . . . . 120 VAL HG13 . 51128 1 775 . 1 . 1 96 96 VAL HG21 H 1 0.39 0.0 . 2 . . . . . 120 VAL HG21 . 51128 1 776 . 1 . 1 96 96 VAL HG22 H 1 0.39 0.0 . 2 . . . . . 120 VAL HG22 . 51128 1 777 . 1 . 1 96 96 VAL HG23 H 1 0.39 0.0 . 2 . . . . . 120 VAL HG23 . 51128 1 778 . 1 . 1 96 96 VAL CA C 13 62.183 0.0 . 1 . . . . . 120 VAL CA . 51128 1 779 . 1 . 1 96 96 VAL CB C 13 29.47 0.0 . 1 . . . . . 120 VAL CB . 51128 1 780 . 1 . 1 96 96 VAL CG1 C 13 21.421 0.0 . 2 . . . . . 120 VAL CG1 . 51128 1 781 . 1 . 1 96 96 VAL CG2 C 13 18.657 0.0 . 2 . . . . . 120 VAL CG2 . 51128 1 782 . 1 . 1 96 96 VAL N N 15 124.748 0.0 . 1 . . . . . 120 VAL N . 51128 1 783 . 1 . 1 97 97 VAL H H 1 8.381 0.0 . 1 . . . . . 121 VAL H . 51128 1 784 . 1 . 1 97 97 VAL HA H 1 3.725 0.0 . 1 . . . . . 121 VAL HA . 51128 1 785 . 1 . 1 97 97 VAL HB H 1 1.714 0.0 . 1 . . . . . 121 VAL HB . 51128 1 786 . 1 . 1 97 97 VAL HG11 H 1 0.999 0.0 . 2 . . . . . 121 VAL HG11 . 51128 1 787 . 1 . 1 97 97 VAL HG12 H 1 0.999 0.0 . 2 . . . . . 121 VAL HG12 . 51128 1 788 . 1 . 1 97 97 VAL HG13 H 1 0.999 0.0 . 2 . . . . . 121 VAL HG13 . 51128 1 789 . 1 . 1 97 97 VAL HG21 H 1 0.921 0.0 . 2 . . . . . 121 VAL HG21 . 51128 1 790 . 1 . 1 97 97 VAL HG22 H 1 0.921 0.0 . 2 . . . . . 121 VAL HG22 . 51128 1 791 . 1 . 1 97 97 VAL HG23 H 1 0.921 0.0 . 2 . . . . . 121 VAL HG23 . 51128 1 792 . 1 . 1 97 97 VAL CA C 13 65.082 0.0 . 1 . . . . . 121 VAL CA . 51128 1 793 . 1 . 1 97 97 VAL CB C 13 32.654 0.0 . 1 . . . . . 121 VAL CB . 51128 1 794 . 1 . 1 97 97 VAL CG1 C 13 21.861 0.0 . 2 . . . . . 121 VAL CG1 . 51128 1 795 . 1 . 1 97 97 VAL CG2 C 13 21.698 0.0 . 2 . . . . . 121 VAL CG2 . 51128 1 796 . 1 . 1 97 97 VAL N N 15 129.147 0.0 . 1 . . . . . 121 VAL N . 51128 1 797 . 1 . 1 98 98 GLU H H 1 7.276 0.0 . 1 . . . . . 122 GLU H . 51128 1 798 . 1 . 1 98 98 GLU HA H 1 4.732 0.0 . 1 . . . . . 122 GLU HA . 51128 1 799 . 1 . 1 98 98 GLU HB2 H 1 1.327 0.0 . 2 . . . . . 122 GLU HB2 . 51128 1 800 . 1 . 1 98 98 GLU CA C 13 55.127 0.0 . 1 . . . . . 122 GLU CA . 51128 1 801 . 1 . 1 98 98 GLU CB C 13 34.262 0.0 . 1 . . . . . 122 GLU CB . 51128 1 802 . 1 . 1 98 98 GLU N N 15 114.297 0.0 . 1 . . . . . 122 GLU N . 51128 1 803 . 1 . 1 99 99 ALA H H 1 8.73 0.0 . 1 . . . . . 123 ALA H . 51128 1 804 . 1 . 1 99 99 ALA HA H 1 4.37 0.0 . 1 . . . . . 123 ALA HA . 51128 1 805 . 1 . 1 99 99 ALA HB1 H 1 0.888 0.0 . 1 . . . . . 123 ALA HB1 . 51128 1 806 . 1 . 1 99 99 ALA HB2 H 1 0.888 0.0 . 1 . . . . . 123 ALA HB2 . 51128 1 807 . 1 . 1 99 99 ALA HB3 H 1 0.888 0.0 . 1 . . . . . 123 ALA HB3 . 51128 1 808 . 1 . 1 99 99 ALA CA C 13 52.178 0.0 . 1 . . . . . 123 ALA CA . 51128 1 809 . 1 . 1 99 99 ALA CB C 13 21.542 0.0 . 1 . . . . . 123 ALA CB . 51128 1 810 . 1 . 1 99 99 ALA N N 15 124.703 0.0 . 1 . . . . . 123 ALA N . 51128 1 811 . 1 . 1 105 105 ALA H H 1 9.178 0.0 . 1 . . . . . 129 ALA H . 51128 1 812 . 1 . 1 105 105 ALA HA H 1 4.728 0.0 . 1 . . . . . 129 ALA HA . 51128 1 813 . 1 . 1 105 105 ALA HB1 H 1 0.893 0.0 . 1 . . . . . 129 ALA HB1 . 51128 1 814 . 1 . 1 105 105 ALA HB2 H 1 0.893 0.0 . 1 . . . . . 129 ALA HB2 . 51128 1 815 . 1 . 1 105 105 ALA HB3 H 1 0.893 0.0 . 1 . . . . . 129 ALA HB3 . 51128 1 816 . 1 . 1 105 105 ALA CA C 13 51.679 0.0 . 1 . . . . . 129 ALA CA . 51128 1 817 . 1 . 1 105 105 ALA CB C 13 22.591 0.0 . 1 . . . . . 129 ALA CB . 51128 1 818 . 1 . 1 105 105 ALA N N 15 120.479 0.0 . 1 . . . . . 129 ALA N . 51128 1 819 . 1 . 1 106 106 LEU H H 1 9.051 0.0 . 1 . . . . . 130 LEU H . 51128 1 820 . 1 . 1 106 106 LEU HA H 1 5.187 0.0 . 1 . . . . . 130 LEU HA . 51128 1 821 . 1 . 1 106 106 LEU HB2 H 1 1.009 0.0 . 1 . . . . . 130 LEU HB2 . 51128 1 822 . 1 . 1 106 106 LEU HB3 H 1 1.275 0.0 . 1 . . . . . 130 LEU HB3 . 51128 1 823 . 1 . 1 106 106 LEU HD11 H 1 0.702 0.0 . 2 . . . . . 130 LEU HD11 . 51128 1 824 . 1 . 1 106 106 LEU HD12 H 1 0.702 0.0 . 2 . . . . . 130 LEU HD12 . 51128 1 825 . 1 . 1 106 106 LEU HD13 H 1 0.702 0.0 . 2 . . . . . 130 LEU HD13 . 51128 1 826 . 1 . 1 106 106 LEU HD21 H 1 0.554 0.0 . 2 . . . . . 130 LEU HD21 . 51128 1 827 . 1 . 1 106 106 LEU HD22 H 1 0.554 0.0 . 2 . . . . . 130 LEU HD22 . 51128 1 828 . 1 . 1 106 106 LEU HD23 H 1 0.554 0.0 . 2 . . . . . 130 LEU HD23 . 51128 1 829 . 1 . 1 106 106 LEU CA C 13 53.711 0.0 . 1 . . . . . 130 LEU CA . 51128 1 830 . 1 . 1 106 106 LEU CB C 13 43.731 0.0 . 1 . . . . . 130 LEU CB . 51128 1 831 . 1 . 1 106 106 LEU CG C 13 27.408 0.0 . 1 . . . . . 130 LEU CG . 51128 1 832 . 1 . 1 106 106 LEU CD1 C 13 24.832 0.0 . 2 . . . . . 130 LEU CD1 . 51128 1 833 . 1 . 1 106 106 LEU CD2 C 13 22.315 0.0 . 2 . . . . . 130 LEU CD2 . 51128 1 834 . 1 . 1 106 106 LEU N N 15 123.44 0.0 . 1 . . . . . 130 LEU N . 51128 1 835 . 1 . 1 107 107 LEU H H 1 9.241 0.0 . 1 . . . . . 131 LEU H . 51128 1 836 . 1 . 1 107 107 LEU HA H 1 5.408 0.0 . 1 . . . . . 131 LEU HA . 51128 1 837 . 1 . 1 107 107 LEU HB2 H 1 1.561 0.0 . 2 . . . . . 131 LEU HB2 . 51128 1 838 . 1 . 1 107 107 LEU CA C 13 54.136 0.0 . 1 . . . . . 131 LEU CA . 51128 1 839 . 1 . 1 107 107 LEU CB C 13 44.478 0.0 . 1 . . . . . 131 LEU CB . 51128 1 840 . 1 . 1 107 107 LEU CG C 13 27.606 0.0 . 1 . . . . . 131 LEU CG . 51128 1 841 . 1 . 1 107 107 LEU N N 15 126.017 0.0 . 1 . . . . . 131 LEU N . 51128 1 842 . 1 . 1 108 108 PHE H H 1 9.06 0.0 . 1 . . . . . 132 PHE H . 51128 1 843 . 1 . 1 108 108 PHE HA H 1 5.696 0.0 . 1 . . . . . 132 PHE HA . 51128 1 844 . 1 . 1 108 108 PHE HB2 H 1 3.068 0.0 . 2 . . . . . 132 PHE HB2 . 51128 1 845 . 1 . 1 108 108 PHE CA C 13 56.559 0.0 . 1 . . . . . 132 PHE CA . 51128 1 846 . 1 . 1 108 108 PHE CB C 13 43.715 0.0 . 1 . . . . . 132 PHE CB . 51128 1 847 . 1 . 1 108 108 PHE N N 15 120.976 0.0 . 1 . . . . . 132 PHE N . 51128 1 848 . 1 . 1 109 109 SER H H 1 9.311 0.0 . 1 . . . . . 133 SER H . 51128 1 849 . 1 . 1 109 109 SER HA H 1 4.701 0.0 . 1 . . . . . 133 SER HA . 51128 1 850 . 1 . 1 109 109 SER HB2 H 1 3.857 0.0 . 2 . . . . . 133 SER HB2 . 51128 1 851 . 1 . 1 109 109 SER CA C 13 56.463 0.0 . 1 . . . . . 133 SER CA . 51128 1 852 . 1 . 1 109 109 SER CB C 13 65.807 0.0 . 1 . . . . . 133 SER CB . 51128 1 853 . 1 . 1 109 109 SER N N 15 125.831 0.0 . 1 . . . . . 133 SER N . 51128 1 854 . 1 . 1 110 110 ARG H H 1 8.661 0.0 . 1 . . . . . 134 ARG H . 51128 1 855 . 1 . 1 110 110 ARG HA H 1 5.023 0.0 . 1 . . . . . 134 ARG HA . 51128 1 856 . 1 . 1 110 110 ARG HB2 H 1 1.729 0.0 . 2 . . . . . 134 ARG HB2 . 51128 1 857 . 1 . 1 110 110 ARG HG2 H 1 1.567 0.0 . 2 . . . . . 134 ARG HG2 . 51128 1 858 . 1 . 1 110 110 ARG HD2 H 1 3.248 0.0 . 2 . . . . . 134 ARG HD2 . 51128 1 859 . 1 . 1 110 110 ARG CA C 13 53.772 0.0 . 1 . . . . . 134 ARG CA . 51128 1 860 . 1 . 1 110 110 ARG CB C 13 34.303 0.0 . 1 . . . . . 134 ARG CB . 51128 1 861 . 1 . 1 110 110 ARG CG C 13 24.058 0.0 . 1 . . . . . 134 ARG CG . 51128 1 862 . 1 . 1 110 110 ARG CD C 13 43.546 0.0 . 1 . . . . . 134 ARG CD . 51128 1 863 . 1 . 1 110 110 ARG N N 15 119.709 0.0 . 1 . . . . . 134 ARG N . 51128 1 864 . 1 . 1 111 111 GLY H H 1 7.935 0.0 . 1 . . . . . 135 GLY H . 51128 1 865 . 1 . 1 111 111 GLY HA2 H 1 4.303 0.0 . 1 . . . . . 135 GLY HA2 . 51128 1 866 . 1 . 1 111 111 GLY HA3 H 1 3.902 0.0 . 1 . . . . . 135 GLY HA3 . 51128 1 867 . 1 . 1 111 111 GLY CA C 13 45.206 0.0 . 1 . . . . . 135 GLY CA . 51128 1 868 . 1 . 1 111 111 GLY N N 15 107.818 0.0 . 1 . . . . . 135 GLY N . 51128 1 869 . 1 . 1 112 112 THR H H 1 8.4 0.0 . 1 . . . . . 136 THR H . 51128 1 870 . 1 . 1 112 112 THR HA H 1 4.663 0.0 . 1 . . . . . 136 THR HA . 51128 1 871 . 1 . 1 112 112 THR HB H 1 4.24 0.0 . 1 . . . . . 136 THR HB . 51128 1 872 . 1 . 1 112 112 THR HG21 H 1 1.153 0.0 . 1 . . . . . 136 THR HG21 . 51128 1 873 . 1 . 1 112 112 THR HG22 H 1 1.153 0.0 . 1 . . . . . 136 THR HG22 . 51128 1 874 . 1 . 1 112 112 THR HG23 H 1 1.153 0.0 . 1 . . . . . 136 THR HG23 . 51128 1 875 . 1 . 1 112 112 THR CA C 13 60.9 0.0 . 1 . . . . . 136 THR CA . 51128 1 876 . 1 . 1 112 112 THR CB C 13 70.68 0.0 . 1 . . . . . 136 THR CB . 51128 1 877 . 1 . 1 112 112 THR CG2 C 13 21.605 0.0 . 1 . . . . . 136 THR CG2 . 51128 1 878 . 1 . 1 112 112 THR N N 15 112.325 0.0 . 1 . . . . . 136 THR N . 51128 1 879 . 1 . 1 113 113 LYS H H 1 8.128 0.0 . 1 . . . . . 137 LYS H . 51128 1 880 . 1 . 1 113 113 LYS HA H 1 4.379 0.0 . 1 . . . . . 137 LYS HA . 51128 1 881 . 1 . 1 113 113 LYS HB2 H 1 1.813 0.0 . 2 . . . . . 137 LYS HB2 . 51128 1 882 . 1 . 1 113 113 LYS HG2 H 1 1.468 0.0 . 1 . . . . . 137 LYS HG2 . 51128 1 883 . 1 . 1 113 113 LYS HG3 H 1 1.486 0.0 . 1 . . . . . 137 LYS HG3 . 51128 1 884 . 1 . 1 113 113 LYS HD2 H 1 1.567 0.0 . 1 . . . . . 137 LYS HD2 . 51128 1 885 . 1 . 1 113 113 LYS HD3 H 1 1.686 0.0 . 1 . . . . . 137 LYS HD3 . 51128 1 886 . 1 . 1 113 113 LYS HE2 H 1 3.001 0.0 . 1 . . . . . 137 LYS HE2 . 51128 1 887 . 1 . 1 113 113 LYS HE3 H 1 2.955 0.0 . 1 . . . . . 137 LYS HE3 . 51128 1 888 . 1 . 1 113 113 LYS CA C 13 57.091 0.0 . 1 . . . . . 137 LYS CA . 51128 1 889 . 1 . 1 113 113 LYS CB C 13 33.678 0.0 . 1 . . . . . 137 LYS CB . 51128 1 890 . 1 . 1 113 113 LYS CG C 13 24.831 0.0 . 1 . . . . . 137 LYS CG . 51128 1 891 . 1 . 1 113 113 LYS CD C 13 29.27 0.0 . 1 . . . . . 137 LYS CD . 51128 1 892 . 1 . 1 113 113 LYS CE C 13 41.859 0.0 . 1 . . . . . 137 LYS CE . 51128 1 893 . 1 . 1 113 113 LYS N N 15 121.531 0.0 . 1 . . . . . 137 LYS N . 51128 1 894 . 1 . 1 114 114 GLY H H 1 8.483 0.0 . 1 . . . . . 138 GLY H . 51128 1 895 . 1 . 1 114 114 GLY HA2 H 1 3.697 0.0 . 1 . . . . . 138 GLY HA2 . 51128 1 896 . 1 . 1 114 114 GLY HA3 H 1 4.347 0.0 . 1 . . . . . 138 GLY HA3 . 51128 1 897 . 1 . 1 114 114 GLY CA C 13 44.247 0.0 . 1 . . . . . 138 GLY CA . 51128 1 898 . 1 . 1 114 114 GLY N N 15 112.438 0.0 . 1 . . . . . 138 GLY N . 51128 1 899 . 1 . 1 115 115 PRO HA H 1 4.35 0.0 . 1 . . . . . 139 PRO HA . 51128 1 900 . 1 . 1 115 115 PRO HB2 H 1 2.099 0.0 . 1 . . . . . 139 PRO HB2 . 51128 1 901 . 1 . 1 115 115 PRO HB3 H 1 1.955 0.0 . 1 . . . . . 139 PRO HB3 . 51128 1 902 . 1 . 1 116 116 GLY H H 1 8.399 0.0 . 1 . . . . . 140 GLY H . 51128 1 903 . 1 . 1 116 116 GLY CA C 13 45.288 0.0 . 1 . . . . . 140 GLY CA . 51128 1 904 . 1 . 1 116 116 GLY N N 15 109.889 0.0 . 1 . . . . . 140 GLY N . 51128 1 905 . 1 . 1 119 119 PHE HA H 1 4.559 0.0 . 1 . . . . . 143 PHE HA . 51128 1 906 . 1 . 1 119 119 PHE HB2 H 1 2.7 0.0 . 2 . . . . . 143 PHE HB2 . 51128 1 907 . 1 . 1 120 120 ARG H H 1 8.166 0.0 . 1 . . . . . 144 ARG H . 51128 1 908 . 1 . 1 120 120 ARG HA H 1 4.751 0.0 . 1 . . . . . 144 ARG HA . 51128 1 909 . 1 . 1 120 120 ARG HB2 H 1 1.568 0.0 . 2 . . . . . 144 ARG HB2 . 51128 1 910 . 1 . 1 120 120 ARG CA C 13 54.042 0.0 . 1 . . . . . 144 ARG CA . 51128 1 911 . 1 . 1 120 120 ARG CB C 13 34.666 0.0 . 1 . . . . . 144 ARG CB . 51128 1 912 . 1 . 1 120 120 ARG CG C 13 1.0 0.0 . 1 . . . . . 144 ARG CG . 51128 1 913 . 1 . 1 120 120 ARG N N 15 125.586 0.0 . 1 . . . . . 144 ARG N . 51128 1 914 . 1 . 1 121 121 MET H H 1 8.433 0.0 . 1 . . . . . 145 MET H . 51128 1 915 . 1 . 1 121 121 MET HA H 1 5.167 0.0 . 1 . . . . . 145 MET HA . 51128 1 916 . 1 . 1 121 121 MET HB2 H 1 1.875 0.0 . 2 . . . . . 145 MET HB2 . 51128 1 917 . 1 . 1 121 121 MET CA C 13 54.808 0.0 . 1 . . . . . 145 MET CA . 51128 1 918 . 1 . 1 121 121 MET CB C 13 38.489 0.0 . 1 . . . . . 145 MET CB . 51128 1 919 . 1 . 1 121 121 MET N N 15 122.028 0.0 . 1 . . . . . 145 MET N . 51128 1 920 . 1 . 1 122 122 ALA H H 1 9.801 0.0 . 1 . . . . . 146 ALA H . 51128 1 921 . 1 . 1 122 122 ALA HA H 1 5.792 0.0 . 1 . . . . . 146 ALA HA . 51128 1 922 . 1 . 1 122 122 ALA HB1 H 1 1.583 0.0 . 1 . . . . . 146 ALA HB1 . 51128 1 923 . 1 . 1 122 122 ALA HB2 H 1 1.583 0.0 . 1 . . . . . 146 ALA HB2 . 51128 1 924 . 1 . 1 122 122 ALA HB3 H 1 1.583 0.0 . 1 . . . . . 146 ALA HB3 . 51128 1 925 . 1 . 1 122 122 ALA CA C 13 50.32 0.0 . 1 . . . . . 146 ALA CA . 51128 1 926 . 1 . 1 122 122 ALA CB C 13 22.719 0.0 . 1 . . . . . 146 ALA CB . 51128 1 927 . 1 . 1 122 122 ALA N N 15 105.799 0.0 . 1 . . . . . 146 ALA N . 51128 1 928 . 1 . 1 123 123 THR H H 1 9.26 0.0 . 1 . . . . . 147 THR H . 51128 1 929 . 1 . 1 123 123 THR HA H 1 4.952 0.0 . 1 . . . . . 147 THR HA . 51128 1 930 . 1 . 1 123 123 THR HB H 1 3.756 0.0 . 1 . . . . . 147 THR HB . 51128 1 931 . 1 . 1 123 123 THR HG1 H 1 0.931 0.0 . 9 . . . . . 147 THR HG1 . 51128 1 932 . 1 . 1 123 123 THR HG21 H 1 1.053 0.0 . 1 . . . . . 147 THR HG21 . 51128 1 933 . 1 . 1 123 123 THR HG22 H 1 1.053 0.0 . 1 . . . . . 147 THR HG22 . 51128 1 934 . 1 . 1 123 123 THR HG23 H 1 1.053 0.0 . 1 . . . . . 147 THR HG23 . 51128 1 935 . 1 . 1 123 123 THR CA C 13 62.324 0.0 . 1 . . . . . 147 THR CA . 51128 1 936 . 1 . 1 123 123 THR CB C 13 71.316 0.0 . 1 . . . . . 147 THR CB . 51128 1 937 . 1 . 1 123 123 THR CG2 C 13 21.796 0.0 . 1 . . . . . 147 THR CG2 . 51128 1 938 . 1 . 1 123 123 THR N N 15 118.603 0.0 . 1 . . . . . 147 THR N . 51128 1 939 . 1 . 1 124 124 LEU H H 1 8.313 0.0 . 1 . . . . . 148 LEU H . 51128 1 940 . 1 . 1 124 124 LEU HA H 1 5.08 0.0 . 1 . . . . . 148 LEU HA . 51128 1 941 . 1 . 1 124 124 LEU HB2 H 1 1.787 0.0 . 2 . . . . . 148 LEU HB2 . 51128 1 942 . 1 . 1 124 124 LEU CA C 13 52.695 0.0 . 1 . . . . . 148 LEU CA . 51128 1 943 . 1 . 1 124 124 LEU CB C 13 42.571 0.0 . 1 . . . . . 148 LEU CB . 51128 1 944 . 1 . 1 124 124 LEU CG C 13 26.945 0.0 . 1 . . . . . 148 LEU CG . 51128 1 945 . 1 . 1 124 124 LEU CD1 C 13 25.444 0.0 . 2 . . . . . 148 LEU CD1 . 51128 1 946 . 1 . 1 124 124 LEU CD2 C 13 23.88 0.0 . 2 . . . . . 148 LEU CD2 . 51128 1 947 . 1 . 1 124 124 LEU N N 15 128.297 0.0 . 1 . . . . . 148 LEU N . 51128 1 948 . 1 . 1 125 125 TYR H H 1 9.393 0.0 . 1 . . . . . 149 TYR H . 51128 1 949 . 1 . 1 125 125 TYR HA H 1 5.604 0.0 . 1 . . . . . 149 TYR HA . 51128 1 950 . 1 . 1 125 125 TYR HB2 H 1 2.317 0.0 . 1 . . . . . 149 TYR HB2 . 51128 1 951 . 1 . 1 125 125 TYR HB3 H 1 2.971 0.0 . 1 . . . . . 149 TYR HB3 . 51128 1 952 . 1 . 1 125 125 TYR CA C 13 56.175 0.0 . 1 . . . . . 149 TYR CA . 51128 1 953 . 1 . 1 125 125 TYR CB C 13 40.333 0.0 . 1 . . . . . 149 TYR CB . 51128 1 954 . 1 . 1 125 125 TYR N N 15 128.866 0.0 . 1 . . . . . 149 TYR N . 51128 1 955 . 1 . 1 126 126 SER H H 1 9.805 0.0 . 1 . . . . . 150 SER H . 51128 1 956 . 1 . 1 126 126 SER HA H 1 4.098 0.0 . 1 . . . . . 150 SER HA . 51128 1 957 . 1 . 1 126 126 SER HB2 H 1 4.118 0.0 . 1 . . . . . 150 SER HB2 . 51128 1 958 . 1 . 1 126 126 SER HB3 H 1 3.916 0.0 . 1 . . . . . 150 SER HB3 . 51128 1 959 . 1 . 1 126 126 SER CA C 13 55.397 0.0 . 1 . . . . . 150 SER CA . 51128 1 960 . 1 . 1 126 126 SER CB C 13 66.044 0.0 . 1 . . . . . 150 SER CB . 51128 1 961 . 1 . 1 126 126 SER N N 15 113.894 0.0 . 1 . . . . . 150 SER N . 51128 1 962 . 1 . 1 127 127 ARG H H 1 8.701 0.0 . 1 . . . . . 151 ARG H . 51128 1 963 . 1 . 1 127 127 ARG HA H 1 4.173 0.0 . 1 . . . . . 151 ARG HA . 51128 1 964 . 1 . 1 127 127 ARG HB2 H 1 2.031 0.0 . 2 . . . . . 151 ARG HB2 . 51128 1 965 . 1 . 1 127 127 ARG CA C 13 56.829 0.0 . 1 . . . . . 151 ARG CA . 51128 1 966 . 1 . 1 127 127 ARG CB C 13 31.435 0.0 . 1 . . . . . 151 ARG CB . 51128 1 967 . 1 . 1 127 127 ARG N N 15 125.969 0.0 . 1 . . . . . 151 ARG N . 51128 1 968 . 1 . 1 128 128 THR H H 1 8.276 0.0 . 1 . . . . . 152 THR H . 51128 1 969 . 1 . 1 128 128 THR HA H 1 4.85 0.0 . 1 . . . . . 152 THR HA . 51128 1 970 . 1 . 1 128 128 THR HB H 1 4.478 0.0 . 1 . . . . . 152 THR HB . 51128 1 971 . 1 . 1 128 128 THR HG1 H 1 1.265 0.0 . 9 . . . . . 152 THR HG1 . 51128 1 972 . 1 . 1 128 128 THR HG21 H 1 1.271 0.0 . 1 . . . . . 152 THR HG21 . 51128 1 973 . 1 . 1 128 128 THR HG22 H 1 1.271 0.0 . 1 . . . . . 152 THR HG22 . 51128 1 974 . 1 . 1 128 128 THR HG23 H 1 1.271 0.0 . 1 . . . . . 152 THR HG23 . 51128 1 975 . 1 . 1 128 128 THR CA C 13 59.531 0.0 . 1 . . . . . 152 THR CA . 51128 1 976 . 1 . 1 128 128 THR CB C 13 71.184 0.0 . 1 . . . . . 152 THR CB . 51128 1 977 . 1 . 1 128 128 THR CG2 C 13 21.393 0.0 . 1 . . . . . 152 THR CG2 . 51128 1 978 . 1 . 1 128 128 THR N N 15 108.438 0.0 . 1 . . . . . 152 THR N . 51128 1 979 . 1 . 1 129 129 GLN H H 1 8.787 0.0 . 1 . . . . . 153 GLN H . 51128 1 980 . 1 . 1 129 129 GLN HA H 1 3.567 0.0 . 1 . . . . . 153 GLN HA . 51128 1 981 . 1 . 1 129 129 GLN HB2 H 1 1.573 0.0 . 1 . . . . . 153 GLN HB2 . 51128 1 982 . 1 . 1 129 129 GLN HB3 H 1 1.256 0.0 . 1 . . . . . 153 GLN HB3 . 51128 1 983 . 1 . 1 129 129 GLN HG2 H 1 2.09 0.0 . 1 . . . . . 153 GLN HG2 . 51128 1 984 . 1 . 1 129 129 GLN HG3 H 1 2.324 0.0 . 1 . . . . . 153 GLN HG3 . 51128 1 985 . 1 . 1 129 129 GLN CA C 13 57.838 0.0 . 1 . . . . . 153 GLN CA . 51128 1 986 . 1 . 1 129 129 GLN CB C 13 28.93 0.0 . 1 . . . . . 153 GLN CB . 51128 1 987 . 1 . 1 129 129 GLN CG C 13 33.565 0.0 . 1 . . . . . 153 GLN CG . 51128 1 988 . 1 . 1 129 129 GLN N N 15 119.565 0.0 . 1 . . . . . 153 GLN N . 51128 1 989 . 1 . 1 130 130 THR H H 1 7.254 0.0 . 1 . . . . . 154 THR H . 51128 1 990 . 1 . 1 130 130 THR HA H 1 4.285 0.0 . 1 . . . . . 154 THR HA . 51128 1 991 . 1 . 1 130 130 THR HB H 1 4.044 0.0 . 1 . . . . . 154 THR HB . 51128 1 992 . 1 . 1 130 130 THR HG21 H 1 1.114 0.0 . 1 . . . . . 154 THR HG21 . 51128 1 993 . 1 . 1 130 130 THR HG22 H 1 1.114 0.0 . 1 . . . . . 154 THR HG22 . 51128 1 994 . 1 . 1 130 130 THR HG23 H 1 1.114 0.0 . 1 . . . . . 154 THR HG23 . 51128 1 995 . 1 . 1 130 130 THR CA C 13 60.432 0.0 . 1 . . . . . 154 THR CA . 51128 1 996 . 1 . 1 130 130 THR CB C 13 69.986 0.0 . 1 . . . . . 154 THR CB . 51128 1 997 . 1 . 1 130 130 THR CG2 C 13 21.64 0.0 . 1 . . . . . 154 THR CG2 . 51128 1 998 . 1 . 1 130 130 THR N N 15 108.566 0.0 . 1 . . . . . 154 THR N . 51128 1 999 . 1 . 1 131 131 LEU H H 1 8.579 0.0 . 1 . . . . . 155 LEU H . 51128 1 1000 . 1 . 1 131 131 LEU HA H 1 4.619 0.0 . 1 . . . . . 155 LEU HA . 51128 1 1001 . 1 . 1 131 131 LEU HB2 H 1 1.466 0.0 . 1 . . . . . 155 LEU HB2 . 51128 1 1002 . 1 . 1 131 131 LEU HG H 1 1.667 0.0 . 1 . . . . . 155 LEU HG . 51128 1 1003 . 1 . 1 131 131 LEU HD11 H 1 0.838 0.0 . 2 . . . . . 155 LEU HD11 . 51128 1 1004 . 1 . 1 131 131 LEU HD12 H 1 0.838 0.0 . 2 . . . . . 155 LEU HD12 . 51128 1 1005 . 1 . 1 131 131 LEU HD13 H 1 0.838 0.0 . 2 . . . . . 155 LEU HD13 . 51128 1 1006 . 1 . 1 131 131 LEU HD21 H 1 0.791 0.0 . 2 . . . . . 155 LEU HD21 . 51128 1 1007 . 1 . 1 131 131 LEU HD22 H 1 0.791 0.0 . 2 . . . . . 155 LEU HD22 . 51128 1 1008 . 1 . 1 131 131 LEU HD23 H 1 0.791 0.0 . 2 . . . . . 155 LEU HD23 . 51128 1 1009 . 1 . 1 131 131 LEU CA C 13 53.382 0.0 . 1 . . . . . 155 LEU CA . 51128 1 1010 . 1 . 1 131 131 LEU CB C 13 44.748 0.0 . 1 . . . . . 155 LEU CB . 51128 1 1011 . 1 . 1 131 131 LEU CG C 13 26.24 0.0 . 1 . . . . . 155 LEU CG . 51128 1 1012 . 1 . 1 131 131 LEU CD1 C 13 24.872 0.0 . 2 . . . . . 155 LEU CD1 . 51128 1 1013 . 1 . 1 131 131 LEU N N 15 124.455 0.0 . 1 . . . . . 155 LEU N . 51128 1 1014 . 1 . 1 132 132 LYS H H 1 8.217 0.0 . 1 . . . . . 156 LYS H . 51128 1 1015 . 1 . 1 132 132 LYS HA H 1 4.373 0.0 . 1 . . . . . 156 LYS HA . 51128 1 1016 . 1 . 1 132 132 LYS HB2 H 1 1.751 0.0 . 1 . . . . . 156 LYS HB2 . 51128 1 1017 . 1 . 1 132 132 LYS HB3 H 1 2.099 0.0 . 1 . . . . . 156 LYS HB3 . 51128 1 1018 . 1 . 1 132 132 LYS HG2 H 1 1.594 0.0 . 1 . . . . . 156 LYS HG2 . 51128 1 1019 . 1 . 1 132 132 LYS HG3 H 1 1.576 0.0 . 1 . . . . . 156 LYS HG3 . 51128 1 1020 . 1 . 1 132 132 LYS HD2 H 1 1.974 0.0 . 2 . . . . . 156 LYS HD2 . 51128 1 1021 . 1 . 1 132 132 LYS HE2 H 1 3.007 0.0 . 1 . . . . . 156 LYS HE2 . 51128 1 1022 . 1 . 1 132 132 LYS HE3 H 1 3.002 0.0 . 1 . . . . . 156 LYS HE3 . 51128 1 1023 . 1 . 1 132 132 LYS CA C 13 56.061 0.0 . 1 . . . . . 156 LYS CA . 51128 1 1024 . 1 . 1 132 132 LYS CB C 13 33.476 0.0 . 1 . . . . . 156 LYS CB . 51128 1 1025 . 1 . 1 132 132 LYS CG C 13 25.427 0.0 . 1 . . . . . 156 LYS CG . 51128 1 1026 . 1 . 1 132 132 LYS CD C 13 29.341 0.0 . 1 . . . . . 156 LYS CD . 51128 1 1027 . 1 . 1 132 132 LYS CE C 13 41.859 0.0 . 1 . . . . . 156 LYS CE . 51128 1 1028 . 1 . 1 132 132 LYS N N 15 124.087 0.0 . 1 . . . . . 156 LYS N . 51128 1 1029 . 1 . 1 133 133 ASP H H 1 8.958 0.0 . 1 . . . . . 157 ASP H . 51128 1 1030 . 1 . 1 133 133 ASP HA H 1 4.129 0.0 . 1 . . . . . 157 ASP HA . 51128 1 1031 . 1 . 1 133 133 ASP HB2 H 1 2.642 0.0 . 2 . . . . . 157 ASP HB2 . 51128 1 1032 . 1 . 1 133 133 ASP CA C 13 58.326 0.0 . 1 . . . . . 157 ASP CA . 51128 1 1033 . 1 . 1 133 133 ASP CB C 13 40.145 0.0 . 1 . . . . . 157 ASP CB . 51128 1 1034 . 1 . 1 133 133 ASP N N 15 124.567 0.0 . 1 . . . . . 157 ASP N . 51128 1 1035 . 1 . 1 134 134 GLU H H 1 9.565 0.0 . 1 . . . . . 158 GLU H . 51128 1 1036 . 1 . 1 134 134 GLU HA H 1 4.138 0.0 . 1 . . . . . 158 GLU HA . 51128 1 1037 . 1 . 1 134 134 GLU HB2 H 1 1.991 0.0 . 2 . . . . . 158 GLU HB2 . 51128 1 1038 . 1 . 1 134 134 GLU HG2 H 1 2.606 0.0 . 1 . . . . . 158 GLU HG2 . 51128 1 1039 . 1 . 1 134 134 GLU HG3 H 1 2.292 0.0 . 1 . . . . . 158 GLU HG3 . 51128 1 1040 . 1 . 1 134 134 GLU CA C 13 59.613 0.0 . 1 . . . . . 158 GLU CA . 51128 1 1041 . 1 . 1 134 134 GLU CB C 13 29.187 0.0 . 1 . . . . . 158 GLU CB . 51128 1 1042 . 1 . 1 134 134 GLU CG C 13 36.23 0.0 . 1 . . . . . 158 GLU CG . 51128 1 1043 . 1 . 1 134 134 GLU N N 15 118.352 0.0 . 1 . . . . . 158 GLU N . 51128 1 1044 . 1 . 1 135 135 LEU H H 1 7.288 0.0 . 1 . . . . . 159 LEU H . 51128 1 1045 . 1 . 1 135 135 LEU HA H 1 4.106 0.0 . 1 . . . . . 159 LEU HA . 51128 1 1046 . 1 . 1 135 135 LEU HB2 H 1 1.477 0.0 . 1 . . . . . 159 LEU HB2 . 51128 1 1047 . 1 . 1 135 135 LEU HB3 H 1 1.796 0.0 . 1 . . . . . 159 LEU HB3 . 51128 1 1048 . 1 . 1 135 135 LEU HG H 1 1.508 0.0 . 1 . . . . . 159 LEU HG . 51128 1 1049 . 1 . 1 135 135 LEU HD11 H 1 0.774 0.0 . 2 . . . . . 159 LEU HD11 . 51128 1 1050 . 1 . 1 135 135 LEU HD12 H 1 0.774 0.0 . 2 . . . . . 159 LEU HD12 . 51128 1 1051 . 1 . 1 135 135 LEU HD13 H 1 0.774 0.0 . 2 . . . . . 159 LEU HD13 . 51128 1 1052 . 1 . 1 135 135 LEU HD21 H 1 0.539 0.0 . 2 . . . . . 159 LEU HD21 . 51128 1 1053 . 1 . 1 135 135 LEU HD22 H 1 0.539 0.0 . 2 . . . . . 159 LEU HD22 . 51128 1 1054 . 1 . 1 135 135 LEU HD23 H 1 0.539 0.0 . 2 . . . . . 159 LEU HD23 . 51128 1 1055 . 1 . 1 135 135 LEU CA C 13 56.516 0.0 . 1 . . . . . 159 LEU CA . 51128 1 1056 . 1 . 1 135 135 LEU CB C 13 41.767 0.0 . 1 . . . . . 159 LEU CB . 51128 1 1057 . 1 . 1 135 135 LEU CG C 13 27.436 0.0 . 1 . . . . . 159 LEU CG . 51128 1 1058 . 1 . 1 135 135 LEU CD1 C 13 24.526 0.0 . 2 . . . . . 159 LEU CD1 . 51128 1 1059 . 1 . 1 135 135 LEU CD2 C 13 22.291 0.0 . 2 . . . . . 159 LEU CD2 . 51128 1 1060 . 1 . 1 135 135 LEU N N 15 119.637 0.0 . 1 . . . . . 159 LEU N . 51128 1 1061 . 1 . 1 136 136 LYS H H 1 7.429 0.0 . 1 . . . . . 160 LYS H . 51128 1 1062 . 1 . 1 136 136 LYS HA H 1 3.984 0.0 . 1 . . . . . 160 LYS HA . 51128 1 1063 . 1 . 1 136 136 LYS HB2 H 1 1.555 0.0 . 2 . . . . . 160 LYS HB2 . 51128 1 1064 . 1 . 1 136 136 LYS HB3 H 1 1.836 0.0 . 2 . . . . . 160 LYS HB3 . 51128 1 1065 . 1 . 1 136 136 LYS CA C 13 60.525 0.0 . 1 . . . . . 160 LYS CA . 51128 1 1066 . 1 . 1 136 136 LYS CG C 13 25.924 0.0 . 1 . . . . . 160 LYS CG . 51128 1 1067 . 1 . 1 136 136 LYS CD C 13 29.087 0.0 . 1 . . . . . 160 LYS CD . 51128 1 1068 . 1 . 1 136 136 LYS CE C 13 41.528 0.0 . 1 . . . . . 160 LYS CE . 51128 1 1069 . 1 . 1 136 136 LYS N N 15 119.98 0.0 . 1 . . . . . 160 LYS N . 51128 1 1070 . 1 . 1 137 137 GLU H H 1 7.907 0.0 . 1 . . . . . 161 GLU H . 51128 1 1071 . 1 . 1 137 137 GLU HA H 1 4.141 0.0 . 1 . . . . . 161 GLU HA . 51128 1 1072 . 1 . 1 137 137 GLU HB2 H 1 1.867 0.0 . 1 . . . . . 161 GLU HB2 . 51128 1 1073 . 1 . 1 137 137 GLU HB3 H 1 2.085 0.0 . 1 . . . . . 161 GLU HB3 . 51128 1 1074 . 1 . 1 137 137 GLU HG2 H 1 2.598 0.0 . 1 . . . . . 161 GLU HG2 . 51128 1 1075 . 1 . 1 137 137 GLU HG3 H 1 2.292 0.0 . 1 . . . . . 161 GLU HG3 . 51128 1 1076 . 1 . 1 137 137 GLU CA C 13 59.38 0.0 . 1 . . . . . 161 GLU CA . 51128 1 1077 . 1 . 1 137 137 GLU CB C 13 30.372 0.0 . 1 . . . . . 161 GLU CB . 51128 1 1078 . 1 . 1 137 137 GLU CG C 13 36.23 0.0 . 1 . . . . . 161 GLU CG . 51128 1 1079 . 1 . 1 137 137 GLU N N 15 119.806 0.0 . 1 . . . . . 161 GLU N . 51128 1 1080 . 1 . 1 138 138 LYS H H 1 7.839 0.0 . 1 . . . . . 162 LYS H . 51128 1 1081 . 1 . 1 138 138 LYS HA H 1 4.074 0.0 . 1 . . . . . 162 LYS HA . 51128 1 1082 . 1 . 1 138 138 LYS HB2 H 1 1.784 0.0 . 1 . . . . . 162 LYS HB2 . 51128 1 1083 . 1 . 1 138 138 LYS HB3 H 1 2.031 0.0 . 1 . . . . . 162 LYS HB3 . 51128 1 1084 . 1 . 1 138 138 LYS HG2 H 1 1.222 0.0 . 1 . . . . . 162 LYS HG2 . 51128 1 1085 . 1 . 1 138 138 LYS HG3 H 1 1.29 0.0 . 1 . . . . . 162 LYS HG3 . 51128 1 1086 . 1 . 1 138 138 LYS HD2 H 1 1.599 0.0 . 1 . . . . . 162 LYS HD2 . 51128 1 1087 . 1 . 1 138 138 LYS HD3 H 1 1.681 0.0 . 1 . . . . . 162 LYS HD3 . 51128 1 1088 . 1 . 1 138 138 LYS HE2 H 1 2.782 0.0 . 1 . . . . . 162 LYS HE2 . 51128 1 1089 . 1 . 1 138 138 LYS HE3 H 1 2.882 0.0 . 1 . . . . . 162 LYS HE3 . 51128 1 1090 . 1 . 1 138 138 LYS CA C 13 59.51 0.0 . 1 . . . . . 162 LYS CA . 51128 1 1091 . 1 . 1 138 138 LYS CB C 13 32.123 0.0 . 1 . . . . . 162 LYS CB . 51128 1 1092 . 1 . 1 138 138 LYS CG C 13 23.872 0.0 . 1 . . . . . 162 LYS CG . 51128 1 1093 . 1 . 1 138 138 LYS CD C 13 28.794 0.0 . 1 . . . . . 162 LYS CD . 51128 1 1094 . 1 . 1 138 138 LYS CE C 13 40.412 0.0 . 1 . . . . . 162 LYS CE . 51128 1 1095 . 1 . 1 138 138 LYS N N 15 120.46 0.0 . 1 . . . . . 162 LYS N . 51128 1 1096 . 1 . 1 139 139 PHE H H 1 8.576 0.0 . 1 . . . . . 163 PHE H . 51128 1 1097 . 1 . 1 139 139 PHE HA H 1 4.423 0.0 . 1 . . . . . 163 PHE HA . 51128 1 1098 . 1 . 1 139 139 PHE HB2 H 1 3.348 0.0 . 2 . . . . . 163 PHE HB2 . 51128 1 1099 . 1 . 1 139 139 PHE CA C 13 61.486 0.0 . 1 . . . . . 163 PHE CA . 51128 1 1100 . 1 . 1 139 139 PHE CB C 13 40.074 0.0 . 1 . . . . . 163 PHE CB . 51128 1 1101 . 1 . 1 139 139 PHE N N 15 118.859 0.0 . 1 . . . . . 163 PHE N . 51128 1 1102 . 1 . 1 140 140 THR H H 1 8.784 0.0 . 1 . . . . . 164 THR H . 51128 1 1103 . 1 . 1 140 140 THR HA H 1 3.737 0.0 . 1 . . . . . 164 THR HA . 51128 1 1104 . 1 . 1 140 140 THR HB H 1 4.436 0.0 . 1 . . . . . 164 THR HB . 51128 1 1105 . 1 . 1 140 140 THR HG21 H 1 1.283 0.0 . 1 . . . . . 164 THR HG21 . 51128 1 1106 . 1 . 1 140 140 THR HG22 H 1 1.283 0.0 . 1 . . . . . 164 THR HG22 . 51128 1 1107 . 1 . 1 140 140 THR HG23 H 1 1.283 0.0 . 1 . . . . . 164 THR HG23 . 51128 1 1108 . 1 . 1 140 140 THR CA C 13 59.675 0.0 . 1 . . . . . 164 THR CA . 51128 1 1109 . 1 . 1 140 140 THR CB C 13 67.45 0.0 . 1 . . . . . 164 THR CB . 51128 1 1110 . 1 . 1 140 140 THR N N 15 120.23 0.0 . 1 . . . . . 164 THR N . 51128 1 1111 . 1 . 1 141 141 THR H H 1 8.618 0.0 . 1 . . . . . 165 THR H . 51128 1 1112 . 1 . 1 141 141 THR HA H 1 3.735 0.0 . 1 . . . . . 165 THR HA . 51128 1 1113 . 1 . 1 141 141 THR HB H 1 4.25 0.0 . 1 . . . . . 165 THR HB . 51128 1 1114 . 1 . 1 141 141 THR HG21 H 1 1.251 0.0 . 1 . . . . . 165 THR HG21 . 51128 1 1115 . 1 . 1 141 141 THR HG22 H 1 1.251 0.0 . 1 . . . . . 165 THR HG22 . 51128 1 1116 . 1 . 1 141 141 THR HG23 H 1 1.251 0.0 . 1 . . . . . 165 THR HG23 . 51128 1 1117 . 1 . 1 141 141 THR CA C 13 66.891 0.0 . 1 . . . . . 165 THR CA . 51128 1 1118 . 1 . 1 141 141 THR CB C 13 68.532 0.0 . 1 . . . . . 165 THR CB . 51128 1 1119 . 1 . 1 141 141 THR CG2 C 13 21.801 0.0 . 1 . . . . . 165 THR CG2 . 51128 1 1120 . 1 . 1 141 141 THR N N 15 118.732 0.0 . 1 . . . . . 165 THR N . 51128 1 1121 . 1 . 1 142 142 PHE H H 1 8.339 0.0 . 1 . . . . . 166 PHE H . 51128 1 1122 . 1 . 1 142 142 PHE HA H 1 4.197 0.0 . 1 . . . . . 166 PHE HA . 51128 1 1123 . 1 . 1 142 142 PHE HB2 H 1 2.893 0.0 . 1 . . . . . 166 PHE HB2 . 51128 1 1124 . 1 . 1 142 142 PHE HB3 H 1 3.3 0.0 . 1 . . . . . 166 PHE HB3 . 51128 1 1125 . 1 . 1 142 142 PHE CA C 13 61.156 0.0 . 1 . . . . . 166 PHE CA . 51128 1 1126 . 1 . 1 142 142 PHE CB C 13 39.866 0.0 . 1 . . . . . 166 PHE CB . 51128 1 1127 . 1 . 1 142 142 PHE N N 15 122.788 0.0 . 1 . . . . . 166 PHE N . 51128 1 1128 . 1 . 1 143 143 SER H H 1 8.108 0.0 . 1 . . . . . 167 SER H . 51128 1 1129 . 1 . 1 143 143 SER HA H 1 3.285 0.0 . 1 . . . . . 167 SER HA . 51128 1 1130 . 1 . 1 143 143 SER HB2 H 1 3.575 0.0 . 1 . . . . . 167 SER HB2 . 51128 1 1131 . 1 . 1 143 143 SER HB3 H 1 3.007 0.0 . 1 . . . . . 167 SER HB3 . 51128 1 1132 . 1 . 1 143 143 SER CA C 13 64.045 0.0 . 1 . . . . . 167 SER CA . 51128 1 1133 . 1 . 1 143 143 SER CB C 13 62.314 0.0 . 1 . . . . . 167 SER CB . 51128 1 1134 . 1 . 1 143 143 SER N N 15 115.652 0.0 . 1 . . . . . 167 SER N . 51128 1 1135 . 1 . 1 144 144 LYS H H 1 8.024 0.0 . 1 . . . . . 168 LYS H . 51128 1 1136 . 1 . 1 144 144 LYS HA H 1 4.452 0.0 . 1 . . . . . 168 LYS HA . 51128 1 1137 . 1 . 1 144 144 LYS HB2 H 1 1.686 0.0 . 2 . . . . . 168 LYS HB2 . 51128 1 1138 . 1 . 1 144 144 LYS CA C 13 58.796 0.0 . 1 . . . . . 168 LYS CA . 51128 1 1139 . 1 . 1 144 144 LYS CB C 13 32.019 0.0 . 1 . . . . . 168 LYS CB . 51128 1 1140 . 1 . 1 144 144 LYS CG C 13 25.793 0.0 . 1 . . . . . 168 LYS CG . 51128 1 1141 . 1 . 1 144 144 LYS CD C 13 29.47 0.0 . 1 . . . . . 168 LYS CD . 51128 1 1142 . 1 . 1 144 144 LYS CE C 13 41.632 0.0 . 1 . . . . . 168 LYS CE . 51128 1 1143 . 1 . 1 144 144 LYS N N 15 121.518 0.0 . 1 . . . . . 168 LYS N . 51128 1 1144 . 1 . 1 145 145 ALA H H 1 7.784 0.0 . 1 . . . . . 169 ALA H . 51128 1 1145 . 1 . 1 145 145 ALA HA H 1 4.056 0.0 . 1 . . . . . 169 ALA HA . 51128 1 1146 . 1 . 1 145 145 ALA HB1 H 1 1.337 0.0 . 1 . . . . . 169 ALA HB1 . 51128 1 1147 . 1 . 1 145 145 ALA HB2 H 1 1.337 0.0 . 1 . . . . . 169 ALA HB2 . 51128 1 1148 . 1 . 1 145 145 ALA HB3 H 1 1.337 0.0 . 1 . . . . . 169 ALA HB3 . 51128 1 1149 . 1 . 1 145 145 ALA CA C 13 54.257 0.0 . 1 . . . . . 169 ALA CA . 51128 1 1150 . 1 . 1 145 145 ALA CB C 13 17.433 0.0 . 1 . . . . . 169 ALA CB . 51128 1 1151 . 1 . 1 145 145 ALA N N 15 123.469 0.0 . 1 . . . . . 169 ALA N . 51128 1 1152 . 1 . 1 146 146 GLN H H 1 7.078 0.0 . 1 . . . . . 170 GLN H . 51128 1 1153 . 1 . 1 146 146 GLN HA H 1 4.13 0.0 . 1 . . . . . 170 GLN HA . 51128 1 1154 . 1 . 1 146 146 GLN HB2 H 1 1.315 0.0 . 1 . . . . . 170 GLN HB2 . 51128 1 1155 . 1 . 1 146 146 GLN HB3 H 1 2.051 0.0 . 1 . . . . . 170 GLN HB3 . 51128 1 1156 . 1 . 1 146 146 GLN HG2 H 1 2.12 0.0 . 1 . . . . . 170 GLN HG2 . 51128 1 1157 . 1 . 1 146 146 GLN HG3 H 1 1.867 0.0 . 1 . . . . . 170 GLN HG3 . 51128 1 1158 . 1 . 1 146 146 GLN CA C 13 53.111 0.0 . 1 . . . . . 170 GLN CA . 51128 1 1159 . 1 . 1 146 146 GLN CB C 13 27.081 0.0 . 1 . . . . . 170 GLN CB . 51128 1 1160 . 1 . 1 146 146 GLN CG C 13 31.177 0.0 . 1 . . . . . 170 GLN CG . 51128 1 1161 . 1 . 1 146 146 GLN N N 15 113.873 0.0 . 1 . . . . . 170 GLN N . 51128 1 1162 . 1 . 1 147 147 GLY H H 1 7.658 0.0 . 1 . . . . . 171 GLY H . 51128 1 1163 . 1 . 1 147 147 GLY HA2 H 1 3.625 0.0 . 1 . . . . . 171 GLY HA2 . 51128 1 1164 . 1 . 1 147 147 GLY HA3 H 1 4.08 0.0 . 1 . . . . . 171 GLY HA3 . 51128 1 1165 . 1 . 1 147 147 GLY CA C 13 45.404 0.0 . 1 . . . . . 171 GLY CA . 51128 1 1166 . 1 . 1 147 147 GLY N N 15 106.082 0.0 . 1 . . . . . 171 GLY N . 51128 1 1167 . 1 . 1 148 148 LEU H H 1 7.387 0.0 . 1 . . . . . 172 LEU H . 51128 1 1168 . 1 . 1 148 148 LEU HA H 1 4.555 0.0 . 1 . . . . . 172 LEU HA . 51128 1 1169 . 1 . 1 148 148 LEU HB2 H 1 1.27 0.0 . 2 . . . . . 172 LEU HB2 . 51128 1 1170 . 1 . 1 148 148 LEU HG H 1 1.335 0.0 . 1 . . . . . 172 LEU HG . 51128 1 1171 . 1 . 1 148 148 LEU HD11 H 1 0.651 0.0 . 2 . . . . . 172 LEU HD11 . 51128 1 1172 . 1 . 1 148 148 LEU HD12 H 1 0.651 0.0 . 2 . . . . . 172 LEU HD12 . 51128 1 1173 . 1 . 1 148 148 LEU HD13 H 1 0.651 0.0 . 2 . . . . . 172 LEU HD13 . 51128 1 1174 . 1 . 1 148 148 LEU HD21 H 1 0.606 0.0 . 2 . . . . . 172 LEU HD21 . 51128 1 1175 . 1 . 1 148 148 LEU HD22 H 1 0.606 0.0 . 2 . . . . . 172 LEU HD22 . 51128 1 1176 . 1 . 1 148 148 LEU HD23 H 1 0.606 0.0 . 2 . . . . . 172 LEU HD23 . 51128 1 1177 . 1 . 1 148 148 LEU CA C 13 53.453 0.0 . 1 . . . . . 172 LEU CA . 51128 1 1178 . 1 . 1 148 148 LEU CB C 13 40.961 0.0 . 1 . . . . . 172 LEU CB . 51128 1 1179 . 1 . 1 148 148 LEU CG C 13 27.343 0.0 . 1 . . . . . 172 LEU CG . 51128 1 1180 . 1 . 1 148 148 LEU CD1 C 13 25.404 0.0 . 2 . . . . . 172 LEU CD1 . 51128 1 1181 . 1 . 1 148 148 LEU CD2 C 13 23.792 0.0 . 2 . . . . . 172 LEU CD2 . 51128 1 1182 . 1 . 1 148 148 LEU N N 15 121.061 0.0 . 1 . . . . . 172 LEU N . 51128 1 1183 . 1 . 1 149 149 THR H H 1 9.014 0.0 . 1 . . . . . 173 THR H . 51128 1 1184 . 1 . 1 149 149 THR HA H 1 4.533 0.0 . 1 . . . . . 173 THR HA . 51128 1 1185 . 1 . 1 149 149 THR HG21 H 1 1.197 0.0 . 1 . . . . . 173 THR HG21 . 51128 1 1186 . 1 . 1 149 149 THR HG22 H 1 1.197 0.0 . 1 . . . . . 173 THR HG22 . 51128 1 1187 . 1 . 1 149 149 THR HG23 H 1 1.197 0.0 . 1 . . . . . 173 THR HG23 . 51128 1 1188 . 1 . 1 149 149 THR CA C 13 60.259 0.0 . 1 . . . . . 173 THR CA . 51128 1 1189 . 1 . 1 149 149 THR CB C 13 71.602 0.0 . 1 . . . . . 173 THR CB . 51128 1 1190 . 1 . 1 149 149 THR CG2 C 13 21.624 0.0 . 1 . . . . . 173 THR CG2 . 51128 1 1191 . 1 . 1 149 149 THR N N 15 111.794 0.0 . 1 . . . . . 173 THR N . 51128 1 1192 . 1 . 1 150 150 GLU H H 1 9.119 0.0 . 1 . . . . . 174 GLU H . 51128 1 1193 . 1 . 1 150 150 GLU HA H 1 3.867 0.0 . 1 . . . . . 174 GLU HA . 51128 1 1194 . 1 . 1 150 150 GLU HB2 H 1 1.715 0.0 . 1 . . . . . 174 GLU HB2 . 51128 1 1195 . 1 . 1 150 150 GLU HB3 H 1 2.059 0.0 . 1 . . . . . 174 GLU HB3 . 51128 1 1196 . 1 . 1 150 150 GLU HG2 H 1 2.301 0.0 . 1 . . . . . 174 GLU HG2 . 51128 1 1197 . 1 . 1 150 150 GLU HG3 H 1 2.395 0.0 . 1 . . . . . 174 GLU HG3 . 51128 1 1198 . 1 . 1 150 150 GLU CA C 13 60.449 0.0 . 1 . . . . . 174 GLU CA . 51128 1 1199 . 1 . 1 150 150 GLU CB C 13 29.395 0.0 . 1 . . . . . 174 GLU CB . 51128 1 1200 . 1 . 1 150 150 GLU CG C 13 37.338 0.0 . 1 . . . . . 174 GLU CG . 51128 1 1201 . 1 . 1 150 150 GLU N N 15 118.642 0.0 . 1 . . . . . 174 GLU N . 51128 1 1202 . 1 . 1 151 151 GLU H H 1 8.156 0.0 . 1 . . . . . 175 GLU H . 51128 1 1203 . 1 . 1 151 151 GLU HA H 1 4.17 0.0 . 1 . . . . . 175 GLU HA . 51128 1 1204 . 1 . 1 151 151 GLU HB2 H 1 1.974 0.0 . 2 . . . . . 175 GLU HB2 . 51128 1 1205 . 1 . 1 151 151 GLU HG2 H 1 2.58 0.0 . 1 . . . . . 175 GLU HG2 . 51128 1 1206 . 1 . 1 151 151 GLU HG3 H 1 2.675 0.0 . 1 . . . . . 175 GLU HG3 . 51128 1 1207 . 1 . 1 151 151 GLU CA C 13 58.271 0.0 . 1 . . . . . 175 GLU CA . 51128 1 1208 . 1 . 1 151 151 GLU CB C 13 29.473 0.0 . 1 . . . . . 175 GLU CB . 51128 1 1209 . 1 . 1 151 151 GLU CG C 13 36.733 0.0 . 1 . . . . . 175 GLU CG . 51128 1 1210 . 1 . 1 151 151 GLU N N 15 116.241 0.0 . 1 . . . . . 175 GLU N . 51128 1 1211 . 1 . 1 152 152 ASP H H 1 7.834 0.0 . 1 . . . . . 176 ASP H . 51128 1 1212 . 1 . 1 152 152 ASP HA H 1 4.882 0.0 . 1 . . . . . 176 ASP HA . 51128 1 1213 . 1 . 1 152 152 ASP HB2 H 1 2.687 0.0 . 1 . . . . . 176 ASP HB2 . 51128 1 1214 . 1 . 1 152 152 ASP HB3 H 1 3.175 0.0 . 1 . . . . . 176 ASP HB3 . 51128 1 1215 . 1 . 1 152 152 ASP CA C 13 54.491 0.0 . 1 . . . . . 176 ASP CA . 51128 1 1216 . 1 . 1 152 152 ASP CB C 13 42.689 0.0 . 1 . . . . . 176 ASP CB . 51128 1 1217 . 1 . 1 152 152 ASP N N 15 118.738 0.0 . 1 . . . . . 176 ASP N . 51128 1 1218 . 1 . 1 153 153 ILE H H 1 6.952 0.0 . 1 . . . . . 177 ILE H . 51128 1 1219 . 1 . 1 153 153 ILE HA H 1 4.281 0.0 . 1 . . . . . 177 ILE HA . 51128 1 1220 . 1 . 1 153 153 ILE HB H 1 1.713 0.0 . 1 . . . . . 177 ILE HB . 51128 1 1221 . 1 . 1 153 153 ILE HG12 H 1 0.693 0.0 . 1 . . . . . 177 ILE HG12 . 51128 1 1222 . 1 . 1 153 153 ILE HG13 H 1 1.212 0.0 . 1 . . . . . 177 ILE HG13 . 51128 1 1223 . 1 . 1 153 153 ILE HG21 H 1 0.518 0.0 . 1 . . . . . 177 ILE HG21 . 51128 1 1224 . 1 . 1 153 153 ILE HG22 H 1 0.518 0.0 . 1 . . . . . 177 ILE HG22 . 51128 1 1225 . 1 . 1 153 153 ILE HG23 H 1 0.518 0.0 . 1 . . . . . 177 ILE HG23 . 51128 1 1226 . 1 . 1 153 153 ILE HD11 H 1 0.515 0.0 . 1 . . . . . 177 ILE HD11 . 51128 1 1227 . 1 . 1 153 153 ILE HD12 H 1 0.515 0.0 . 1 . . . . . 177 ILE HD12 . 51128 1 1228 . 1 . 1 153 153 ILE HD13 H 1 0.515 0.0 . 1 . . . . . 177 ILE HD13 . 51128 1 1229 . 1 . 1 153 153 ILE CA C 13 61.396 0.0 . 1 . . . . . 177 ILE CA . 51128 1 1230 . 1 . 1 153 153 ILE CB C 13 40.311 0.0 . 1 . . . . . 177 ILE CB . 51128 1 1231 . 1 . 1 153 153 ILE CG1 C 13 21.802 0.0 . 1 . . . . . 177 ILE CG1 . 51128 1 1232 . 1 . 1 153 153 ILE CG2 C 13 17.629 0.0 . 1 . . . . . 177 ILE CG2 . 51128 1 1233 . 1 . 1 153 153 ILE CD1 C 13 16.123 0.0 . 1 . . . . . 177 ILE CD1 . 51128 1 1234 . 1 . 1 153 153 ILE N N 15 117.389 0.0 . 1 . . . . . 177 ILE N . 51128 1 1235 . 1 . 1 154 154 VAL H H 1 9.188 0.0 . 1 . . . . . 178 VAL H . 51128 1 1236 . 1 . 1 154 154 VAL HA H 1 4.534 0.0 . 1 . . . . . 178 VAL HA . 51128 1 1237 . 1 . 1 154 154 VAL HB H 1 2.052 0.0 . 1 . . . . . 178 VAL HB . 51128 1 1238 . 1 . 1 154 154 VAL HG11 H 1 0.894 0.0 . 2 . . . . . 178 VAL HG11 . 51128 1 1239 . 1 . 1 154 154 VAL HG12 H 1 0.894 0.0 . 2 . . . . . 178 VAL HG12 . 51128 1 1240 . 1 . 1 154 154 VAL HG13 H 1 0.894 0.0 . 2 . . . . . 178 VAL HG13 . 51128 1 1241 . 1 . 1 154 154 VAL HG21 H 1 0.959 0.0 . 2 . . . . . 178 VAL HG21 . 51128 1 1242 . 1 . 1 154 154 VAL HG22 H 1 0.959 0.0 . 2 . . . . . 178 VAL HG22 . 51128 1 1243 . 1 . 1 154 154 VAL HG23 H 1 0.959 0.0 . 2 . . . . . 178 VAL HG23 . 51128 1 1244 . 1 . 1 154 154 VAL CA C 13 60.408 0.0 . 1 . . . . . 178 VAL CA . 51128 1 1245 . 1 . 1 154 154 VAL CB C 13 36.252 0.0 . 1 . . . . . 178 VAL CB . 51128 1 1246 . 1 . 1 154 154 VAL CG1 C 13 21.624 0.0 . 2 . . . . . 178 VAL CG1 . 51128 1 1247 . 1 . 1 154 154 VAL CG2 C 13 21.651 0.0 . 2 . . . . . 178 VAL CG2 . 51128 1 1248 . 1 . 1 154 154 VAL N N 15 125.946 0.0 . 1 . . . . . 178 VAL N . 51128 1 1249 . 1 . 1 155 155 PHE H H 1 8.75 0.0 . 1 . . . . . 179 PHE H . 51128 1 1250 . 1 . 1 155 155 PHE HA H 1 5.022 0.0 . 1 . . . . . 179 PHE HA . 51128 1 1251 . 1 . 1 155 155 PHE HB2 H 1 2.206 0.0 . 2 . . . . . 179 PHE HB2 . 51128 1 1252 . 1 . 1 155 155 PHE CA C 13 58.176 0.0 . 1 . . . . . 179 PHE CA . 51128 1 1253 . 1 . 1 155 155 PHE CB C 13 38.021 0.0 . 1 . . . . . 179 PHE CB . 51128 1 1254 . 1 . 1 155 155 PHE N N 15 125.398 0.0 . 1 . . . . . 179 PHE N . 51128 1 1255 . 1 . 1 156 156 LEU H H 1 7.223 0.0 . 1 . . . . . 180 LEU H . 51128 1 1256 . 1 . 1 156 156 LEU HA H 1 4.116 0.0 . 1 . . . . . 180 LEU HA . 51128 1 1257 . 1 . 1 156 156 LEU HB2 H 1 1.474 0.0 . 1 . . . . . 180 LEU HB2 . 51128 1 1258 . 1 . 1 156 156 LEU HB3 H 1 1.79 0.0 . 1 . . . . . 180 LEU HB3 . 51128 1 1259 . 1 . 1 156 156 LEU HG H 1 1.499 0.0 . 1 . . . . . 180 LEU HG . 51128 1 1260 . 1 . 1 156 156 LEU HD11 H 1 0.772 0.0 . 2 . . . . . 180 LEU HD11 . 51128 1 1261 . 1 . 1 156 156 LEU HD12 H 1 0.772 0.0 . 2 . . . . . 180 LEU HD12 . 51128 1 1262 . 1 . 1 156 156 LEU HD13 H 1 0.772 0.0 . 2 . . . . . 180 LEU HD13 . 51128 1 1263 . 1 . 1 156 156 LEU HD21 H 1 0.549 0.0 . 2 . . . . . 180 LEU HD21 . 51128 1 1264 . 1 . 1 156 156 LEU HD22 H 1 0.549 0.0 . 2 . . . . . 180 LEU HD22 . 51128 1 1265 . 1 . 1 156 156 LEU HD23 H 1 0.549 0.0 . 2 . . . . . 180 LEU HD23 . 51128 1 1266 . 1 . 1 156 156 LEU CA C 13 53.182 0.0 . 1 . . . . . 180 LEU CA . 51128 1 1267 . 1 . 1 156 156 LEU CB C 13 41.343 0.0 . 1 . . . . . 180 LEU CB . 51128 1 1268 . 1 . 1 156 156 LEU CG C 13 33.098 0.0 . 1 . . . . . 180 LEU CG . 51128 1 1269 . 1 . 1 156 156 LEU CD1 C 13 29.968 0.0 . 2 . . . . . 180 LEU CD1 . 51128 1 1270 . 1 . 1 156 156 LEU CD2 C 13 25.3 0.0 . 2 . . . . . 180 LEU CD2 . 51128 1 1271 . 1 . 1 156 156 LEU N N 15 125.618 0.0 . 1 . . . . . 180 LEU N . 51128 1 1272 . 1 . 1 157 157 PRO HA H 1 4.728 0.0 . 1 . . . . . 181 PRO HA . 51128 1 1273 . 1 . 1 157 157 PRO HB2 H 1 2.054 0.0 . 1 . . . . . 181 PRO HB2 . 51128 1 1274 . 1 . 1 157 157 PRO HB3 H 1 2.366 0.0 . 1 . . . . . 181 PRO HB3 . 51128 1 1275 . 1 . 1 157 157 PRO HG2 H 1 2.202 0.0 . 1 . . . . . 181 PRO HG2 . 51128 1 1276 . 1 . 1 157 157 PRO HG3 H 1 2.117 0.0 . 1 . . . . . 181 PRO HG3 . 51128 1 1277 . 1 . 1 157 157 PRO HD2 H 1 3.643 0.0 . 1 . . . . . 181 PRO HD2 . 51128 1 1278 . 1 . 1 157 157 PRO HD3 H 1 3.726 0.0 . 1 . . . . . 181 PRO HD3 . 51128 1 1279 . 1 . 1 157 157 PRO CA C 13 61.892 0.0 . 1 . . . . . 181 PRO CA . 51128 1 1280 . 1 . 1 157 157 PRO CB C 13 32.269 0.0 . 1 . . . . . 181 PRO CB . 51128 1 1281 . 1 . 1 157 157 PRO CG C 13 27.506 0.0 . 1 . . . . . 181 PRO CG . 51128 1 1282 . 1 . 1 157 157 PRO CD C 13 49.646 0.0 . 1 . . . . . 181 PRO CD . 51128 1 1283 . 1 . 1 158 158 GLN H H 1 8.941 0.0 . 1 . . . . . 182 GLN H . 51128 1 1284 . 1 . 1 158 158 GLN HA H 1 4.661 0.0 . 1 . . . . . 182 GLN HA . 51128 1 1285 . 1 . 1 158 158 GLN CA C 13 54.496 0.0 . 1 . . . . . 182 GLN CA . 51128 1 1286 . 1 . 1 158 158 GLN CB C 13 29.207 0.0 . 1 . . . . . 182 GLN CB . 51128 1 1287 . 1 . 1 158 158 GLN N N 15 121.796 0.0 . 1 . . . . . 182 GLN N . 51128 1 1288 . 1 . 1 159 159 PRO HA H 1 4.636 0.0 . 1 . . . . . 183 PRO HA . 51128 1 1289 . 1 . 1 159 159 PRO HB2 H 1 1.853 0.0 . 1 . . . . . 183 PRO HB2 . 51128 1 1290 . 1 . 1 159 159 PRO HB3 H 1 2.156 0.0 . 1 . . . . . 183 PRO HB3 . 51128 1 1291 . 1 . 1 159 159 PRO CA C 13 62.148 0.0 . 1 . . . . . 183 PRO CA . 51128 1 1292 . 1 . 1 159 159 PRO CB C 13 33.199 0.0 . 1 . . . . . 183 PRO CB . 51128 1 1293 . 1 . 1 160 160 ASP H H 1 8.462 0.0 . 1 . . . . . 184 ASP H . 51128 1 1294 . 1 . 1 160 160 ASP HA H 1 4.409 0.0 . 1 . . . . . 184 ASP HA . 51128 1 1295 . 1 . 1 160 160 ASP HB2 H 1 2.685 0.0 . 2 . . . . . 184 ASP HB2 . 51128 1 1296 . 1 . 1 160 160 ASP CA C 13 54.718 0.0 . 1 . . . . . 184 ASP CA . 51128 1 1297 . 1 . 1 160 160 ASP CB C 13 40.677 0.0 . 1 . . . . . 184 ASP CB . 51128 1 1298 . 1 . 1 160 160 ASP N N 15 117.544 0.0 . 1 . . . . . 184 ASP N . 51128 1 1299 . 1 . 1 161 161 LYS H H 1 7.216 0.0 . 1 . . . . . 185 LYS H . 51128 1 1300 . 1 . 1 161 161 LYS HA H 1 4.56 0.0 . 1 . . . . . 185 LYS HA . 51128 1 1301 . 1 . 1 161 161 LYS HB2 H 1 1.643 0.0 . 1 . . . . . 185 LYS HB2 . 51128 1 1302 . 1 . 1 161 161 LYS HB3 H 1 1.947 0.0 . 1 . . . . . 185 LYS HB3 . 51128 1 1303 . 1 . 1 161 161 LYS HG2 H 1 1.372 0.0 . 1 . . . . . 185 LYS HG2 . 51128 1 1304 . 1 . 1 161 161 LYS HG3 H 1 1.397 0.0 . 1 . . . . . 185 LYS HG3 . 51128 1 1305 . 1 . 1 161 161 LYS HD2 H 1 1.546 0.0 . 1 . . . . . 185 LYS HD2 . 51128 1 1306 . 1 . 1 161 161 LYS HD3 H 1 1.55 0.0 . 1 . . . . . 185 LYS HD3 . 51128 1 1307 . 1 . 1 161 161 LYS HE2 H 1 2.821 0.0 . 1 . . . . . 185 LYS HE2 . 51128 1 1308 . 1 . 1 161 161 LYS HE3 H 1 2.819 0.0 . 1 . . . . . 185 LYS HE3 . 51128 1 1309 . 1 . 1 161 161 LYS CA C 13 55.542 0.0 . 1 . . . . . 185 LYS CA . 51128 1 1310 . 1 . 1 161 161 LYS CB C 13 35.681 0.0 . 1 . . . . . 185 LYS CB . 51128 1 1311 . 1 . 1 161 161 LYS CG C 13 23.879 0.0 . 1 . . . . . 185 LYS CG . 51128 1 1312 . 1 . 1 161 161 LYS CD C 13 29.381 0.0 . 1 . . . . . 185 LYS CD . 51128 1 1313 . 1 . 1 161 161 LYS CE C 13 41.78 0.0 . 1 . . . . . 185 LYS CE . 51128 1 1314 . 1 . 1 161 161 LYS N N 15 114.988 0.0 . 1 . . . . . 185 LYS N . 51128 1 1315 . 1 . 1 162 162 CYS H H 1 8.411 0.0 . 1 . . . . . 186 CYS H . 51128 1 1316 . 1 . 1 162 162 CYS HA H 1 4.314 0.0 . 1 . . . . . 186 CYS HA . 51128 1 1317 . 1 . 1 162 162 CYS HB2 H 1 2.84 0.0 . 1 . . . . . 186 CYS HB2 . 51128 1 1318 . 1 . 1 162 162 CYS HB3 H 1 3.42 0.0 . 1 . . . . . 186 CYS HB3 . 51128 1 1319 . 1 . 1 162 162 CYS CA C 13 57.464 0.0 . 1 . . . . . 186 CYS CA . 51128 1 1320 . 1 . 1 162 162 CYS CB C 13 35.0 0.0 . 1 . . . . . 186 CYS CB . 51128 1 1321 . 1 . 1 162 162 CYS N N 15 106.707 0.0 . 1 . . . . . 186 CYS N . 51128 1 1322 . 1 . 1 163 163 ILE H H 1 7.936 0.0 . 1 . . . . . 187 ILE H . 51128 1 1323 . 1 . 1 163 163 ILE HA H 1 4.554 0.0 . 1 . . . . . 187 ILE HA . 51128 1 1324 . 1 . 1 163 163 ILE HB H 1 2.14 0.0 . 1 . . . . . 187 ILE HB . 51128 1 1325 . 1 . 1 163 163 ILE HG12 H 1 1.371 0.0 . 1 . . . . . 187 ILE HG12 . 51128 1 1326 . 1 . 1 163 163 ILE HG13 H 1 1.01 0.0 . 1 . . . . . 187 ILE HG13 . 51128 1 1327 . 1 . 1 163 163 ILE HG21 H 1 1.011 0.0 . 1 . . . . . 187 ILE HG21 . 51128 1 1328 . 1 . 1 163 163 ILE HG22 H 1 1.011 0.0 . 1 . . . . . 187 ILE HG22 . 51128 1 1329 . 1 . 1 163 163 ILE HG23 H 1 1.011 0.0 . 1 . . . . . 187 ILE HG23 . 51128 1 1330 . 1 . 1 163 163 ILE HD11 H 1 0.867 0.0 . 1 . . . . . 187 ILE HD11 . 51128 1 1331 . 1 . 1 163 163 ILE HD12 H 1 0.867 0.0 . 1 . . . . . 187 ILE HD12 . 51128 1 1332 . 1 . 1 163 163 ILE HD13 H 1 0.867 0.0 . 1 . . . . . 187 ILE HD13 . 51128 1 1333 . 1 . 1 163 163 ILE CA C 13 61.2 0.0 . 1 . . . . . 187 ILE CA . 51128 1 1334 . 1 . 1 163 163 ILE CB C 13 39.76 0.0 . 1 . . . . . 187 ILE CB . 51128 1 1335 . 1 . 1 163 163 ILE CG1 C 13 26.931 0.0 . 1 . . . . . 187 ILE CG1 . 51128 1 1336 . 1 . 1 163 163 ILE CG2 C 13 18.114 0.0 . 1 . . . . . 187 ILE CG2 . 51128 1 1337 . 1 . 1 163 163 ILE CD1 C 13 15.225 0.0 . 1 . . . . . 187 ILE CD1 . 51128 1 1338 . 1 . 1 163 163 ILE N N 15 113.432 0.0 . 1 . . . . . 187 ILE N . 51128 1 1339 . 1 . 1 164 164 GLN H H 1 8.328 0.0 . 1 . . . . . 188 GLN H . 51128 1 1340 . 1 . 1 164 164 GLN HA H 1 4.289 0.0 . 1 . . . . . 188 GLN HA . 51128 1 1341 . 1 . 1 164 164 GLN HB2 H 1 2.412 0.0 . 2 . . . . . 188 GLN HB2 . 51128 1 1342 . 1 . 1 164 164 GLN HG2 H 1 2.08 0.0 . 1 . . . . . 188 GLN HG2 . 51128 1 1343 . 1 . 1 164 164 GLN HG3 H 1 2.47 0.0 . 1 . . . . . 188 GLN HG3 . 51128 1 1344 . 1 . 1 164 164 GLN CA C 13 56.9 0.0 . 1 . . . . . 188 GLN CA . 51128 1 1345 . 1 . 1 164 164 GLN CB C 13 28.789 0.0 . 1 . . . . . 188 GLN CB . 51128 1 1346 . 1 . 1 164 164 GLN CG C 13 33.978 0.0 . 1 . . . . . 188 GLN CG . 51128 1 1347 . 1 . 1 164 164 GLN N N 15 123.331 0.0 . 1 . . . . . 188 GLN N . 51128 1 1348 . 1 . 1 165 165 GLU H H 1 8.124 0.0 . 1 . . . . . 189 GLU H . 51128 1 1349 . 1 . 1 165 165 GLU HA H 1 4.035 0.0 . 1 . . . . . 189 GLU HA . 51128 1 1350 . 1 . 1 165 165 GLU HB2 H 1 1.834 0.0 . 2 . . . . . 189 GLU HB2 . 51128 1 1351 . 1 . 1 165 165 GLU CA C 13 58.161 0.0 . 1 . . . . . 189 GLU CA . 51128 1 1352 . 1 . 1 165 165 GLU CB C 13 30.94 0.0 . 1 . . . . . 189 GLU CB . 51128 1 1353 . 1 . 1 165 165 GLU N N 15 126.803 0.0 . 1 . . . . . 189 GLU N . 51128 1 stop_ save_