data_18473 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18473 _Entry.Title ; 1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/substrate analog complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-18 _Entry.Accession_date 2012-05-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shigeru Shimamoto . . . 18473 2 Tadayasu Ohkubo . . . 18473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 18473 '15N chemical shifts' 143 18473 '1H chemical shifts' 819 18473 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 . . 2014-05-13 2012-05-18 update BMRB 'update entry citation' 18473 1 . . 2012-06-18 2012-05-18 original author 'original release' 18473 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KTD . 18473 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18473 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23361378 _Citation.Full_citation . _Citation.Title 'H, 13C, and 15N resonance assignments of mouse lipocalin-type prostaglandin D synthase/substrate analog complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 129 _Citation.Page_last 132 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Shigeru Shimamoto . . . 18473 1 2 Hiroko Maruo . . . 18473 1 3 Takuya Yoshida . . . 18473 1 4 Tadayasu Ohkubo . . . 18473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18473 _Assembly.ID 1 _Assembly.Name 'L-PGDS/U-46619 complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 L-PGDS 1 $lipocalin-type_prostaglandin_D_synthase A . yes native no no . . . 18473 1 2 U-46619 2 $U46 B . no native no no . . . 18473 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2KTD . . 'solution NMR' . . 'Structure of mouse L-PGDS/U-46619 complex' 18473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lipocalin-type_prostaglandin_D_synthase _Entity.Sf_category entity _Entity.Sf_framecode lipocalin-type_prostaglandin_D_synthase _Entity.Entry_ID 18473 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lipocalin-type_prostaglandin_D_synthase _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 ; GSQGHDTVQPNFQQDKFLGR WYSAGLASNSSWFREKKAVL YMCKTVVAPSTEGGLNLTST FLRKNQAETKIMVLQPAGAP GHYTYSSPHSGSIHSVSVVE ANYDEYALLFSRGTKGPGQD FRMATLYSRTQTLKDELKEK FTTFSKAQGLTEEDIVFLPQ PDKAIQE ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10137 . L-PGDS . . . . . 100.00 167 98.80 98.80 5.87e-119 . . . . 18473 1 2 no BMRB 11062 . "lipocalin-type prostaglandin D synthase" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 18473 1 3 no PDB 2CZT . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 18473 1 4 no PDB 2CZU . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 18473 1 5 no PDB 2E4J . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 100.00 100.00 3.10e-120 . . . . 18473 1 6 no PDB 2KTD . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Substrate Analog (U-46619) Complex" . . . . . 100.00 167 100.00 100.00 3.10e-120 . . . . 18473 1 7 no PDB 2RQ0 . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Possessing The Intrinsic Disulfide Bond" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 18473 1 8 no DBJ BAA74461 . "prostaglandin D2 synthase [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 9 no DBJ BAE20833 . "unnamed protein product [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 10 no EMBL CAA61506 . "prostaglandin D synthetase [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 11 no EMBL CAA71226 . "prostaglandin D synthase [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 12 no GB AAH38083 . "Ptgds protein [Mus musculus]" . . . . . 75.45 126 98.41 98.41 2.47e-85 . . . . 18473 1 13 no GB AAH43015 . "Prostaglandin D2 synthase (brain) [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 14 no GB EDL08248 . "prostaglandin D2 synthase (brain), isoform CRA_a, partial [Mus musculus]" . . . . . 99.40 214 98.19 98.80 8.70e-117 . . . . 18473 1 15 no GB EDL08250 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 16 no GB EDL08251 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 17 no REF NP_032989 . "prostaglandin-H2 D-isomerase precursor [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 18 no REF XP_006497849 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 19 no REF XP_006497850 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 1 20 no SP O09114 . "RecName: Full=Prostaglandin-H2 D-isomerase; AltName: Full=Glutathione-independent PGD synthase; AltName: Full=Lipocalin-type pr" . . . . . 99.40 189 98.19 98.80 3.19e-117 . . . . 18473 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 . GLY . 18473 1 2 . SER . 18473 1 3 25 GLN . 18473 1 4 26 GLY . 18473 1 5 27 HIS . 18473 1 6 28 ASP . 18473 1 7 29 THR . 18473 1 8 30 VAL . 18473 1 9 31 GLN . 18473 1 10 32 PRO . 18473 1 11 33 ASN . 18473 1 12 34 PHE . 18473 1 13 35 GLN . 18473 1 14 36 GLN . 18473 1 15 37 ASP . 18473 1 16 38 LYS . 18473 1 17 39 PHE . 18473 1 18 40 LEU . 18473 1 19 41 GLY . 18473 1 20 42 ARG . 18473 1 21 43 TRP . 18473 1 22 44 TYR . 18473 1 23 45 SER . 18473 1 24 46 ALA . 18473 1 25 47 GLY . 18473 1 26 48 LEU . 18473 1 27 49 ALA . 18473 1 28 50 SER . 18473 1 29 51 ASN . 18473 1 30 52 SER . 18473 1 31 53 SER . 18473 1 32 54 TRP . 18473 1 33 55 PHE . 18473 1 34 56 ARG . 18473 1 35 57 GLU . 18473 1 36 58 LYS . 18473 1 37 59 LYS . 18473 1 38 60 ALA . 18473 1 39 61 VAL . 18473 1 40 62 LEU . 18473 1 41 63 TYR . 18473 1 42 64 MET . 18473 1 43 65 CYS . 18473 1 44 66 LYS . 18473 1 45 67 THR . 18473 1 46 68 VAL . 18473 1 47 69 VAL . 18473 1 48 70 ALA . 18473 1 49 71 PRO . 18473 1 50 72 SER . 18473 1 51 73 THR . 18473 1 52 74 GLU . 18473 1 53 75 GLY . 18473 1 54 76 GLY . 18473 1 55 77 LEU . 18473 1 56 78 ASN . 18473 1 57 79 LEU . 18473 1 58 80 THR . 18473 1 59 81 SER . 18473 1 60 82 THR . 18473 1 61 83 PHE . 18473 1 62 84 LEU . 18473 1 63 85 ARG . 18473 1 64 86 LYS . 18473 1 65 87 ASN . 18473 1 66 88 GLN . 18473 1 67 89 ALA . 18473 1 68 90 GLU . 18473 1 69 91 THR . 18473 1 70 92 LYS . 18473 1 71 93 ILE . 18473 1 72 94 MET . 18473 1 73 95 VAL . 18473 1 74 96 LEU . 18473 1 75 97 GLN . 18473 1 76 98 PRO . 18473 1 77 99 ALA . 18473 1 78 100 GLY . 18473 1 79 101 ALA . 18473 1 80 102 PRO . 18473 1 81 103 GLY . 18473 1 82 104 HIS . 18473 1 83 105 TYR . 18473 1 84 106 THR . 18473 1 85 107 TYR . 18473 1 86 108 SER . 18473 1 87 109 SER . 18473 1 88 110 PRO . 18473 1 89 111 HIS . 18473 1 90 112 SER . 18473 1 91 113 GLY . 18473 1 92 114 SER . 18473 1 93 115 ILE . 18473 1 94 116 HIS . 18473 1 95 117 SER . 18473 1 96 118 VAL . 18473 1 97 119 SER . 18473 1 98 120 VAL . 18473 1 99 121 VAL . 18473 1 100 122 GLU . 18473 1 101 123 ALA . 18473 1 102 124 ASN . 18473 1 103 125 TYR . 18473 1 104 126 ASP . 18473 1 105 127 GLU . 18473 1 106 128 TYR . 18473 1 107 129 ALA . 18473 1 108 130 LEU . 18473 1 109 131 LEU . 18473 1 110 132 PHE . 18473 1 111 133 SER . 18473 1 112 134 ARG . 18473 1 113 135 GLY . 18473 1 114 136 THR . 18473 1 115 137 LYS . 18473 1 116 138 GLY . 18473 1 117 139 PRO . 18473 1 118 140 GLY . 18473 1 119 141 GLN . 18473 1 120 142 ASP . 18473 1 121 143 PHE . 18473 1 122 144 ARG . 18473 1 123 145 MET . 18473 1 124 146 ALA . 18473 1 125 147 THR . 18473 1 126 148 LEU . 18473 1 127 149 TYR . 18473 1 128 150 SER . 18473 1 129 151 ARG . 18473 1 130 152 THR . 18473 1 131 153 GLN . 18473 1 132 154 THR . 18473 1 133 155 LEU . 18473 1 134 156 LYS . 18473 1 135 157 ASP . 18473 1 136 158 GLU . 18473 1 137 159 LEU . 18473 1 138 160 LYS . 18473 1 139 161 GLU . 18473 1 140 162 LYS . 18473 1 141 163 PHE . 18473 1 142 164 THR . 18473 1 143 165 THR . 18473 1 144 166 PHE . 18473 1 145 167 SER . 18473 1 146 168 LYS . 18473 1 147 169 ALA . 18473 1 148 170 GLN . 18473 1 149 171 GLY . 18473 1 150 172 LEU . 18473 1 151 173 THR . 18473 1 152 174 GLU . 18473 1 153 175 GLU . 18473 1 154 176 ASP . 18473 1 155 177 ILE . 18473 1 156 178 VAL . 18473 1 157 179 PHE . 18473 1 158 180 LEU . 18473 1 159 181 PRO . 18473 1 160 182 GLN . 18473 1 161 183 PRO . 18473 1 162 184 ASP . 18473 1 163 185 LYS . 18473 1 164 186 ALA . 18473 1 165 187 ILE . 18473 1 166 188 GLN . 18473 1 167 189 GLU . 18473 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18473 1 . SER 2 2 18473 1 . GLN 3 3 18473 1 . GLY 4 4 18473 1 . HIS 5 5 18473 1 . ASP 6 6 18473 1 . THR 7 7 18473 1 . VAL 8 8 18473 1 . GLN 9 9 18473 1 . PRO 10 10 18473 1 . ASN 11 11 18473 1 . PHE 12 12 18473 1 . GLN 13 13 18473 1 . GLN 14 14 18473 1 . ASP 15 15 18473 1 . LYS 16 16 18473 1 . PHE 17 17 18473 1 . LEU 18 18 18473 1 . GLY 19 19 18473 1 . ARG 20 20 18473 1 . TRP 21 21 18473 1 . TYR 22 22 18473 1 . SER 23 23 18473 1 . ALA 24 24 18473 1 . GLY 25 25 18473 1 . LEU 26 26 18473 1 . ALA 27 27 18473 1 . SER 28 28 18473 1 . ASN 29 29 18473 1 . SER 30 30 18473 1 . SER 31 31 18473 1 . TRP 32 32 18473 1 . PHE 33 33 18473 1 . ARG 34 34 18473 1 . GLU 35 35 18473 1 . LYS 36 36 18473 1 . LYS 37 37 18473 1 . ALA 38 38 18473 1 . VAL 39 39 18473 1 . LEU 40 40 18473 1 . TYR 41 41 18473 1 . MET 42 42 18473 1 . CYS 43 43 18473 1 . LYS 44 44 18473 1 . THR 45 45 18473 1 . VAL 46 46 18473 1 . VAL 47 47 18473 1 . ALA 48 48 18473 1 . PRO 49 49 18473 1 . SER 50 50 18473 1 . THR 51 51 18473 1 . GLU 52 52 18473 1 . GLY 53 53 18473 1 . GLY 54 54 18473 1 . LEU 55 55 18473 1 . ASN 56 56 18473 1 . LEU 57 57 18473 1 . THR 58 58 18473 1 . SER 59 59 18473 1 . THR 60 60 18473 1 . PHE 61 61 18473 1 . LEU 62 62 18473 1 . ARG 63 63 18473 1 . LYS 64 64 18473 1 . ASN 65 65 18473 1 . GLN 66 66 18473 1 . ALA 67 67 18473 1 . GLU 68 68 18473 1 . THR 69 69 18473 1 . LYS 70 70 18473 1 . ILE 71 71 18473 1 . MET 72 72 18473 1 . VAL 73 73 18473 1 . LEU 74 74 18473 1 . GLN 75 75 18473 1 . PRO 76 76 18473 1 . ALA 77 77 18473 1 . GLY 78 78 18473 1 . ALA 79 79 18473 1 . PRO 80 80 18473 1 . GLY 81 81 18473 1 . HIS 82 82 18473 1 . TYR 83 83 18473 1 . THR 84 84 18473 1 . TYR 85 85 18473 1 . SER 86 86 18473 1 . SER 87 87 18473 1 . PRO 88 88 18473 1 . HIS 89 89 18473 1 . SER 90 90 18473 1 . GLY 91 91 18473 1 . SER 92 92 18473 1 . ILE 93 93 18473 1 . HIS 94 94 18473 1 . SER 95 95 18473 1 . VAL 96 96 18473 1 . SER 97 97 18473 1 . VAL 98 98 18473 1 . VAL 99 99 18473 1 . GLU 100 100 18473 1 . ALA 101 101 18473 1 . ASN 102 102 18473 1 . TYR 103 103 18473 1 . ASP 104 104 18473 1 . GLU 105 105 18473 1 . TYR 106 106 18473 1 . ALA 107 107 18473 1 . LEU 108 108 18473 1 . LEU 109 109 18473 1 . PHE 110 110 18473 1 . SER 111 111 18473 1 . ARG 112 112 18473 1 . GLY 113 113 18473 1 . THR 114 114 18473 1 . LYS 115 115 18473 1 . GLY 116 116 18473 1 . PRO 117 117 18473 1 . GLY 118 118 18473 1 . GLN 119 119 18473 1 . ASP 120 120 18473 1 . PHE 121 121 18473 1 . ARG 122 122 18473 1 . MET 123 123 18473 1 . ALA 124 124 18473 1 . THR 125 125 18473 1 . LEU 126 126 18473 1 . TYR 127 127 18473 1 . SER 128 128 18473 1 . ARG 129 129 18473 1 . THR 130 130 18473 1 . GLN 131 131 18473 1 . THR 132 132 18473 1 . LEU 133 133 18473 1 . LYS 134 134 18473 1 . ASP 135 135 18473 1 . GLU 136 136 18473 1 . LEU 137 137 18473 1 . LYS 138 138 18473 1 . GLU 139 139 18473 1 . LYS 140 140 18473 1 . PHE 141 141 18473 1 . THR 142 142 18473 1 . THR 143 143 18473 1 . PHE 144 144 18473 1 . SER 145 145 18473 1 . LYS 146 146 18473 1 . ALA 147 147 18473 1 . GLN 148 148 18473 1 . GLY 149 149 18473 1 . LEU 150 150 18473 1 . THR 151 151 18473 1 . GLU 152 152 18473 1 . GLU 153 153 18473 1 . ASP 154 154 18473 1 . ILE 155 155 18473 1 . VAL 156 156 18473 1 . PHE 157 157 18473 1 . LEU 158 158 18473 1 . PRO 159 159 18473 1 . GLN 160 160 18473 1 . PRO 161 161 18473 1 . ASP 162 162 18473 1 . LYS 163 163 18473 1 . ALA 164 164 18473 1 . ILE 165 165 18473 1 . GLN 166 166 18473 1 . GLU 167 167 18473 1 stop_ save_ save_U46 _Entity.Sf_category entity _Entity.Sf_framecode U46 _Entity.Entry_ID 18473 _Entity.ID 2 _Entity.BMRB_code U46 _Entity.Name '(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID' _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 U46 _Entity.Nonpolymer_comp_label $chem_comp_U46 _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 350.492 _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 '(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID' BMRB 18473 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID' BMRB 18473 2 U46 'Three letter code' 18473 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 U46 $chem_comp_U46 18473 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 U46 CAA 18473 2 2 1 U46 CAB 18473 2 3 1 U46 CAC 18473 2 4 1 U46 CAD 18473 2 5 1 U46 CAE 18473 2 6 1 U46 CAF 18473 2 7 1 U46 CAG 18473 2 8 1 U46 CAH 18473 2 9 1 U46 CAI 18473 2 10 1 U46 CAJ 18473 2 11 1 U46 CAK 18473 2 12 1 U46 CAL 18473 2 13 1 U46 CAM 18473 2 14 1 U46 CAN 18473 2 15 1 U46 CAO 18473 2 16 1 U46 CAP 18473 2 17 1 U46 CAQ 18473 2 18 1 U46 CAR 18473 2 19 1 U46 CAT 18473 2 20 1 U46 CAV 18473 2 21 1 U46 CAW 18473 2 22 1 U46 HAA 18473 2 23 1 U46 HAB1 18473 2 24 1 U46 HAB2 18473 2 25 1 U46 HAC 18473 2 26 1 U46 HAD 18473 2 27 1 U46 HAE 18473 2 28 1 U46 HAF1 18473 2 29 1 U46 HAF2 18473 2 30 1 U46 HAG 18473 2 31 1 U46 HAH 18473 2 32 1 U46 HAI 18473 2 33 1 U46 HAJ1 18473 2 34 1 U46 HAJ2 18473 2 35 1 U46 HAK1 18473 2 36 1 U46 HAK2 18473 2 37 1 U46 HAL1 18473 2 38 1 U46 HAL2 18473 2 39 1 U46 HAM1 18473 2 40 1 U46 HAM2 18473 2 41 1 U46 HAN 18473 2 42 1 U46 HAO 18473 2 43 1 U46 HAP1 18473 2 44 1 U46 HAP2 18473 2 45 1 U46 HAQ1 18473 2 46 1 U46 HAQ2 18473 2 47 1 U46 HAR1 18473 2 48 1 U46 HAR2 18473 2 49 1 U46 HAT1 18473 2 50 1 U46 HAT2 18473 2 51 1 U46 HAU 18473 2 52 1 U46 HAV1 18473 2 53 1 U46 HAV2 18473 2 54 1 U46 HAV3 18473 2 55 1 U46 HAX 18473 2 56 1 U46 OAS 18473 2 57 1 U46 OAU 18473 2 58 1 U46 OAX 18473 2 59 1 U46 OAY 18473 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18473 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $lipocalin-type_prostaglandin_D_synthase . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18473 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18473 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $lipocalin-type_prostaglandin_D_synthase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 18473 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_U46 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_U46 _Chem_comp.Entry_ID 18473 _Chem_comp.ID U46 _Chem_comp.Provenance PDB _Chem_comp.Name '(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code U46 _Chem_comp.PDB_code U46 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code U46 _Chem_comp.Number_atoms_all 59 _Chem_comp.Number_atoms_nh 25 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms '9,11-DIDEOXY-9,11-METHANOEPOXY PROSTAGLANDIN F2' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C21 H34 O4' _Chem_comp.Formula_weight 350.492 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O SMILES 'OpenEye OEToolkits' 1.5.0 18473 U46 CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18473 U46 CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O SMILES_CANONICAL CACTVS 3.341 18473 U46 CCCCC[CH](O)C=C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O SMILES CACTVS 3.341 18473 U46 InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20-/m1/s1 InChI InChI 1.03 18473 U46 LQANGKSBLPMBTJ-ZESXDWFFSA-N InChIKey InChI 1.03 18473 U46 O=C(O)CCC\C=C/CC2C(/C=C/C(O)CCCCC)C1OCC2C1 SMILES ACDLabs 10.04 18473 U46 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 '(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3R)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 18473 U46 '(Z)-7-[(1S,4R,5R,6S)-5-[(E,3R)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18473 U46 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 OAX OAX OAX OAX . O . . N 0 . . . 1 no no . . . . -6.754 . 83.835 . 6.840 . 7.292 -2.687 -1.501 1 . 18473 U46 CAW CAW CAW CAW . C . . N 0 . . . 1 no no . . . . -5.744 . 83.247 . 6.358 . 6.335 -2.554 -0.569 2 . 18473 U46 OAY OAY OAY OAY . O . . N 0 . . . 1 no no . . . . -4.947 . 83.799 . 5.568 . 6.434 -3.135 0.486 3 . 18473 U46 CAR CAR CAR CAR . C . . N 0 . . . 1 no no . . . . -5.491 . 81.818 . 6.803 . 5.137 -1.681 -0.838 4 . 18473 U46 CAQ CAQ CAQ CAQ . C . . N 0 . . . 1 no no . . . . -4.564 . 80.919 . 5.963 . 4.206 -1.703 0.377 5 . 18473 U46 CAP CAP CAP CAP . C . . N 0 . . . 1 no no . . . . -5.065 . 79.567 . 6.400 . 2.990 -0.816 0.103 6 . 18473 U46 CAO CAO CAO CAO . C . . N 0 . . . 1 no no . . . . -4.884 . 79.663 . 7.886 . 2.073 -0.838 1.299 7 . 18473 U46 CAN CAN CAN CAN . C . . N 0 . . . 1 no no . . . . -5.174 . 78.805 . 8.860 . 1.682 0.286 1.845 8 . 18473 U46 CAF CAF CAF CAF . C . . N 0 . . . 1 no no . . . . -5.806 . 77.439 . 8.902 . 1.988 1.598 1.170 9 . 18473 U46 CAD CAD CAD CAD . C . . S 0 . . . 1 no no . . . . -6.247 . 76.643 . 7.700 . 0.690 2.386 0.974 10 . 18473 U46 CAC CAC CAC CAC . C . . S 0 . . . 1 no no . . . . -5.582 . 75.323 . 8.015 . 0.996 3.819 0.427 11 . 18473 U46 CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . -6.497 . 74.275 . 7.459 . -0.362 4.145 -0.296 12 . 18473 U46 CAT CAT CAT CAT . C . . N 0 . . . 1 no no . . . . -5.848 . 75.069 . 9.486 . 1.878 3.551 -0.833 13 . 18473 U46 OAS OAS OAS OAS . O . . N 0 . . . 1 no no . . . . -7.262 . 74.790 . 9.524 . 0.984 2.970 -1.825 14 . 18473 U46 CAA CAA CAA CAA . C . . R 0 . . . 1 no no . . . . -7.716 . 74.792 . 8.177 . -0.329 2.869 -1.209 15 . 18473 U46 CAE CAE CAE CAE . C . . R 0 . . . 1 no no . . . . -7.734 . 76.265 . 7.781 . -0.178 1.747 -0.137 16 . 18473 U46 CAG CAG CAG CAG . C . . N 0 . . . 1 no no . . . . -8.550 . 76.499 . 6.520 . -1.527 1.356 0.410 17 . 18473 U46 CAH CAH CAH CAH . C . . N 0 . . . 1 no no . . . . -9.855 . 76.184 . 6.524 . -1.925 0.110 0.340 18 . 18473 U46 CAI CAI CAI CAI . C . . R 0 . . . 1 no no . . . . -10.846 . 76.369 . 5.372 . -3.274 -0.281 0.886 19 . 18473 U46 OAU OAU OAU OAU . O . . N 0 . . . 1 no no . . . . -11.316 . 75.103 . 4.870 . -3.106 -1.257 1.917 20 . 18473 U46 CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 no no . . . . -10.339 . 77.304 . 4.255 . -4.129 -0.870 -0.239 21 . 18473 U46 CAK CAK CAK CAK . C . . N 0 . . . 1 no no . . . . -9.561 . 76.624 . 3.128 . -5.538 -1.151 0.286 22 . 18473 U46 CAL CAL CAL CAL . C . . N 0 . . . 1 no no . . . . -8.395 . 77.493 . 2.662 . -6.393 -1.740 -0.839 23 . 18473 U46 CAM CAM CAM CAM . C . . N 0 . . . 1 no no . . . . -8.116 . 77.250 . 1.182 . -7.802 -2.021 -0.314 24 . 18473 U46 CAV CAV CAV CAV . C . . N 0 . . . 1 no no . . . . -6.812 . 76.513 . 0.965 . -8.656 -2.610 -1.439 25 . 18473 U46 HAX HAX HAX HAX . H . . N 0 . . . 1 no no . . . . -6.792 . 84.724 . 6.508 . 8.060 -3.248 -1.328 26 . 18473 U46 HAR1 HAR1 HAR1 1HAR . H . . N 0 . . . 0 no no . . . . -6.476 . 81.335 . 6.721 . 4.603 -2.055 -1.711 27 . 18473 U46 HAR2 HAR2 HAR2 2HAR . H . . N 0 . . . 0 no no . . . . -5.037 . 81.882 . 7.803 . 5.467 -0.659 -1.024 28 . 18473 U46 HAQ1 HAQ1 HAQ1 1HAQ . H . . N 0 . . . 0 no no . . . . -3.488 . 81.088 . 6.118 . 4.740 -1.329 1.250 29 . 18473 U46 HAQ2 HAQ2 HAQ2 2HAQ . H . . N 0 . . . 0 no no . . . . -4.670 . 81.086 . 4.881 . 3.876 -2.725 0.563 30 . 18473 U46 HAP1 HAP1 HAP1 1HAP . H . . N 0 . . . 0 no no . . . . -4.539 . 78.720 . 5.936 . 2.456 -1.191 -0.770 31 . 18473 U46 HAP2 HAP2 HAP2 2HAP . H . . N 0 . . . 0 no no . . . . -6.114 . 79.396 . 6.115 . 3.320 0.206 -0.083 32 . 18473 U46 HAO HAO HAO HAO . H . . N 0 . . . 1 no no . . . . -4.442 . 80.589 . 8.223 . 1.739 -1.781 1.706 33 . 18473 U46 HAN HAN HAN HAN . H . . N 0 . . . 1 no no . . . . -4.894 . 79.169 . 9.838 . 1.139 0.273 2.779 34 . 18473 U46 HAF1 HAF1 HAF1 1HAF . H . . N 0 . . . 0 no no . . . . -6.778 . 77.677 . 9.358 . 2.448 1.409 0.200 35 . 18473 U46 HAF2 HAF2 HAF2 2HAF . H . . N 0 . . . 0 no no . . . . -5.054 . 76.803 . 9.392 . 2.672 2.176 1.791 36 . 18473 U46 HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . -6.037 . 77.170 . 6.757 . 0.134 2.443 1.909 37 . 18473 U46 HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -4.534 . 75.317 . 7.681 . 1.367 4.557 1.138 38 . 18473 U46 HAB1 HAB1 HAB1 1HAB . H . . N 0 . . . 0 no no . . . . -6.221 . 73.221 . 7.611 . -0.312 5.068 -0.874 39 . 18473 U46 HAB2 HAB2 HAB2 2HAB . H . . N 0 . . . 0 no no . . . . -6.576 . 74.266 . 6.362 . -1.208 4.140 0.391 40 . 18473 U46 HAT1 HAT1 HAT1 1HAT . H . . N 0 . . . 0 no no . . . . -5.562 . 75.917 . 10.125 . 2.300 4.486 -1.204 41 . 18473 U46 HAT2 HAT2 HAT2 2HAT . H . . N 0 . . . 0 no no . . . . -5.258 . 74.221 . 9.863 . 2.674 2.847 -0.592 42 . 18473 U46 HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . -8.665 . 74.265 . 7.998 . -1.165 2.754 -1.897 43 . 18473 U46 HAE HAE HAE HAE . H . . N 0 . . . 1 no no . . . . -8.246 . 76.920 . 8.501 . 0.326 0.879 -0.562 44 . 18473 U46 HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . -8.088 . 76.912 . 5.636 . -2.165 2.103 0.859 45 . 18473 U46 HAH HAH HAH HAH . H . . N 0 . . . 1 no no . . . . -10.246 . 75.755 . 7.435 . -1.287 -0.637 -0.109 46 . 18473 U46 HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . -11.713 . 76.894 . 5.799 . -3.769 0.599 1.296 47 . 18473 U46 HAU HAU HAU HAU . H . . N 0 . . . 1 no no . . . . -11.419 . 75.154 . 3.927 . -2.666 -2.017 1.513 48 . 18473 U46 HAJ1 HAJ1 HAJ1 1HAJ . H . . N 0 . . . 0 no no . . . . -9.635 . 77.999 . 4.735 . -3.679 -1.799 -0.589 49 . 18473 U46 HAJ2 HAJ2 HAJ2 2HAJ . H . . N 0 . . . 0 no no . . . . -11.218 . 77.788 . 3.805 . -4.183 -0.159 -1.063 50 . 18473 U46 HAK1 HAK1 HAK1 1HAK . H . . N 0 . . . 0 no no . . . . -10.242 . 76.467 . 2.278 . -5.988 -0.222 0.636 51 . 18473 U46 HAK2 HAK2 HAK2 2HAK . H . . N 0 . . . 0 no no . . . . -9.167 . 75.665 . 3.495 . -5.484 -1.862 1.111 52 . 18473 U46 HAL1 HAL1 HAL1 1HAL . H . . N 0 . . . 0 no no . . . . -7.498 . 77.234 . 3.244 . -5.943 -2.669 -1.189 53 . 18473 U46 HAL2 HAL2 HAL2 2HAL . H . . N 0 . . . 0 no no . . . . -8.649 . 78.552 . 2.814 . -6.447 -1.029 -1.664 54 . 18473 U46 HAM1 HAM1 HAM1 1HAM . H . . N 0 . . . 0 no no . . . . -8.043 . 78.228 . 0.683 . -8.252 -1.092 0.036 55 . 18473 U46 HAM2 HAM2 HAM2 2HAM . H . . N 0 . . . 0 no no . . . . -8.935 . 76.646 . 0.764 . -7.748 -2.732 0.510 56 . 18473 U46 HAV1 HAV1 HAV1 1HAV . H . . N 0 . . . 0 no no . . . . -6.843 . 75.550 . 1.496 . -8.207 -3.539 -1.789 57 . 18473 U46 HAV2 HAV2 HAV2 2HAV . H . . N 0 . . . 0 no no . . . . -5.980 . 77.119 . 1.352 . -9.661 -2.811 -1.065 58 . 18473 U46 HAV3 HAV3 HAV3 3HAV . H . . N 0 . . . 0 no no . . . . -6.666 . 76.334 . -0.110 . -8.711 -1.899 -2.264 59 . 18473 U46 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 OAX CAW no N 1 . 18473 U46 2 . SING OAX HAX no N 2 . 18473 U46 3 . DOUB CAW OAY no N 3 . 18473 U46 4 . SING CAW CAR no N 4 . 18473 U46 5 . SING CAR CAQ no N 5 . 18473 U46 6 . SING CAR HAR1 no N 6 . 18473 U46 7 . SING CAR HAR2 no N 7 . 18473 U46 8 . SING CAQ CAP no N 8 . 18473 U46 9 . SING CAQ HAQ1 no N 9 . 18473 U46 10 . SING CAQ HAQ2 no N 10 . 18473 U46 11 . SING CAP CAO no N 11 . 18473 U46 12 . SING CAP HAP1 no N 12 . 18473 U46 13 . SING CAP HAP2 no N 13 . 18473 U46 14 . DOUB CAO CAN no Z 14 . 18473 U46 15 . SING CAO HAO no N 15 . 18473 U46 16 . SING CAN CAF no N 16 . 18473 U46 17 . SING CAN HAN no N 17 . 18473 U46 18 . SING CAF CAD no N 18 . 18473 U46 19 . SING CAF HAF1 no N 19 . 18473 U46 20 . SING CAF HAF2 no N 20 . 18473 U46 21 . SING CAD CAC no N 21 . 18473 U46 22 . SING CAD CAE no N 22 . 18473 U46 23 . SING CAD HAD no N 23 . 18473 U46 24 . SING CAC CAB no N 24 . 18473 U46 25 . SING CAC CAT no N 25 . 18473 U46 26 . SING CAC HAC no N 26 . 18473 U46 27 . SING CAB CAA no N 27 . 18473 U46 28 . SING CAB HAB1 no N 28 . 18473 U46 29 . SING CAB HAB2 no N 29 . 18473 U46 30 . SING CAT OAS no N 30 . 18473 U46 31 . SING CAT HAT1 no N 31 . 18473 U46 32 . SING CAT HAT2 no N 32 . 18473 U46 33 . SING OAS CAA no N 33 . 18473 U46 34 . SING CAA CAE no N 34 . 18473 U46 35 . SING CAA HAA no N 35 . 18473 U46 36 . SING CAE CAG no N 36 . 18473 U46 37 . SING CAE HAE no N 37 . 18473 U46 38 . DOUB CAG CAH no E 38 . 18473 U46 39 . SING CAG HAG no N 39 . 18473 U46 40 . SING CAH CAI no N 40 . 18473 U46 41 . SING CAH HAH no N 41 . 18473 U46 42 . SING CAI OAU no N 42 . 18473 U46 43 . SING CAI CAJ no N 43 . 18473 U46 44 . SING CAI HAI no N 44 . 18473 U46 45 . SING OAU HAU no N 45 . 18473 U46 46 . SING CAJ CAK no N 46 . 18473 U46 47 . SING CAJ HAJ1 no N 47 . 18473 U46 48 . SING CAJ HAJ2 no N 48 . 18473 U46 49 . SING CAK CAL no N 49 . 18473 U46 50 . SING CAK HAK1 no N 50 . 18473 U46 51 . SING CAK HAK2 no N 51 . 18473 U46 52 . SING CAL CAM no N 52 . 18473 U46 53 . SING CAL HAL1 no N 53 . 18473 U46 54 . SING CAL HAL2 no N 54 . 18473 U46 55 . SING CAM CAV no N 55 . 18473 U46 56 . SING CAM HAM1 no N 56 . 18473 U46 57 . SING CAM HAM2 no N 57 . 18473 U46 58 . SING CAV HAV1 no N 58 . 18473 U46 59 . SING CAV HAV2 no N 59 . 18473 U46 60 . SING CAV HAV3 no N 60 . 18473 U46 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18473 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'L-PGDS/U-46619 complex' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L-PGDS '[U-99% 13C; U-99% 15N]' . . 1 $lipocalin-type_prostaglandin_D_synthase . . 1.0 . . mM . . . . 18473 1 2 'U-46619(Prostaglandin H2 analog)' 'natural abundance' . . 2 $U46 . . 1.5 . . mM . . . . 18473 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18473 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18473 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18473 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 18473 1 pressure 1 . atm 18473 1 temperature 300.5 . K 18473 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18473 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18473 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18473 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18473 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18473 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18473 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18473 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18473 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18473 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18473 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18473 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18473 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18473 1 3 '3D HNCACB' . . . 18473 1 4 '3D CBCA(CO)NH' . . . 18473 1 5 '3D HBHA(CO)NH' . . . 18473 1 6 '3D HCCH-TOCSY' . . . 18473 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN HA H 1 4.43 . . 1 . . . . 25 Q HA . 18473 1 2 . 1 1 3 3 GLN HB2 H 1 2.058 . . 2 . . . . 25 Q HB1 . 18473 1 3 . 1 1 3 3 GLN HB3 H 1 1.955 . . 2 . . . . 25 Q HB2 . 18473 1 4 . 1 1 3 3 GLN CA C 13 56.337 . . 1 . . . . 25 Q CA . 18473 1 5 . 1 1 3 3 GLN CB C 13 29.405 . . 1 . . . . 25 Q CB . 18473 1 6 . 1 1 4 4 GLY H H 1 8.388 . . 1 . . . . 26 G HN . 18473 1 7 . 1 1 4 4 GLY CA C 13 45.467 . . 1 . . . . 26 G CA . 18473 1 8 . 1 1 4 4 GLY N N 15 109.861 . . 1 . . . . 26 G N . 18473 1 9 . 1 1 5 5 HIS CA C 13 56.078 . . 1 . . . . 27 H CA . 18473 1 10 . 1 1 5 5 HIS CB C 13 31.219 . . 1 . . . . 27 H CB . 18473 1 11 . 1 1 6 6 ASP H H 1 8.319 . . 1 . . . . 28 D HN . 18473 1 12 . 1 1 6 6 ASP HA H 1 4.669 . . 1 . . . . 28 D HA . 18473 1 13 . 1 1 6 6 ASP HB2 H 1 2.638 . . 2 . . . . 28 D HB1 . 18473 1 14 . 1 1 6 6 ASP HB3 H 1 2.534 . . 2 . . . . 28 D HB2 . 18473 1 15 . 1 1 6 6 ASP CA C 13 54.2 . . 1 . . . . 28 D CA . 18473 1 16 . 1 1 6 6 ASP CB C 13 41.252 . . 1 . . . . 28 D CB . 18473 1 17 . 1 1 6 6 ASP N N 15 121.212 . . 1 . . . . 28 D N . 18473 1 18 . 1 1 7 7 THR H H 1 8.168 . . 1 . . . . 29 T HN . 18473 1 19 . 1 1 7 7 THR HA H 1 4.278 . . 1 . . . . 29 T HA . 18473 1 20 . 1 1 7 7 THR HB H 1 4.213 . . 1 . . . . 29 T HB . 18473 1 21 . 1 1 7 7 THR HG21 H 1 1.203 . . 1 . . . . 29 T HG21 . 18473 1 22 . 1 1 7 7 THR HG22 H 1 1.203 . . 1 . . . . 29 T HG21 . 18473 1 23 . 1 1 7 7 THR HG23 H 1 1.203 . . 1 . . . . 29 T HG21 . 18473 1 24 . 1 1 7 7 THR CA C 13 62.554 . . 1 . . . . 29 T CA . 18473 1 25 . 1 1 7 7 THR CB C 13 69.754 . . 1 . . . . 29 T CB . 18473 1 26 . 1 1 7 7 THR CG2 C 13 21.731 . . 1 . . . . 29 T CG2 . 18473 1 27 . 1 1 7 7 THR N N 15 116.467 . . 1 . . . . 29 T N . 18473 1 28 . 1 1 8 8 VAL H H 1 7.728 . . 1 . . . . 30 V HN . 18473 1 29 . 1 1 8 8 VAL HA H 1 4.326 . . 1 . . . . 30 V HA . 18473 1 30 . 1 1 8 8 VAL HB H 1 1.816 . . 1 . . . . 30 V HB . 18473 1 31 . 1 1 8 8 VAL HG11 H 1 0.72 . . 4 . . . . 30 V HG11 . 18473 1 32 . 1 1 8 8 VAL HG12 H 1 0.72 . . 4 . . . . 30 V HG11 . 18473 1 33 . 1 1 8 8 VAL HG13 H 1 0.72 . . 4 . . . . 30 V HG11 . 18473 1 34 . 1 1 8 8 VAL CA C 13 60.06 . . 1 . . . . 30 V CA . 18473 1 35 . 1 1 8 8 VAL CB C 13 34.641 . . 1 . . . . 30 V CB . 18473 1 36 . 1 1 8 8 VAL CG1 C 13 20.687 . . 2 . . . . 30 V CG1 . 18473 1 37 . 1 1 8 8 VAL N N 15 119.95 . . 1 . . . . 30 V N . 18473 1 38 . 1 1 9 9 GLN H H 1 8.505 . . 1 . . . . 31 Q HN . 18473 1 39 . 1 1 9 9 GLN CA C 13 53.274 . . 1 . . . . 31 Q CA . 18473 1 40 . 1 1 9 9 GLN CB C 13 29.924 . . 1 . . . . 31 Q CB . 18473 1 41 . 1 1 9 9 GLN CG C 13 33.029 . . 1 . . . . 31 Q CG . 18473 1 42 . 1 1 9 9 GLN N N 15 127.541 . . 1 . . . . 31 Q N . 18473 1 43 . 1 1 10 10 PRO HA H 1 4.393 . . 1 . . . . 32 P HA . 18473 1 44 . 1 1 10 10 PRO HB2 H 1 2.346 . . 2 . . . . 32 P HB1 . 18473 1 45 . 1 1 10 10 PRO HB3 H 1 1.924 . . 2 . . . . 32 P HB2 . 18473 1 46 . 1 1 10 10 PRO CA C 13 63.203 . . 1 . . . . 32 P CA . 18473 1 47 . 1 1 10 10 PRO CB C 13 32.258 . . 1 . . . . 32 P CB . 18473 1 48 . 1 1 10 10 PRO CG C 13 27.614 . . 1 . . . . 32 P CG . 18473 1 49 . 1 1 10 10 PRO CD C 13 51.737 . . 1 . . . . 32 P CD . 18473 1 50 . 1 1 11 11 ASN H H 1 9.036 . . 1 . . . . 33 N HN . 18473 1 51 . 1 1 11 11 ASN HA H 1 4.489 . . 1 . . . . 33 N HA . 18473 1 52 . 1 1 11 11 ASN HB2 H 1 3.029 . . 2 . . . . 33 N HB1 . 18473 1 53 . 1 1 11 11 ASN HB3 H 1 2.781 . . 2 . . . . 33 N HB2 . 18473 1 54 . 1 1 11 11 ASN CA C 13 53.999 . . 1 . . . . 33 N CA . 18473 1 55 . 1 1 11 11 ASN CB C 13 38.338 . . 1 . . . . 33 N CB . 18473 1 56 . 1 1 11 11 ASN N N 15 119.027 . . 1 . . . . 33 N N . 18473 1 57 . 1 1 12 12 PHE H H 1 7.952 . . 1 . . . . 34 F HN . 18473 1 58 . 1 1 12 12 PHE HA H 1 4.129 . . 1 . . . . 34 F HA . 18473 1 59 . 1 1 12 12 PHE HB2 H 1 3.284 . . 2 . . . . 34 F HB1 . 18473 1 60 . 1 1 12 12 PHE HB3 H 1 2.591 . . 2 . . . . 34 F HB2 . 18473 1 61 . 1 1 12 12 PHE HD1 H 1 7.041 . . 3 . . . . 34 F HD1 . 18473 1 62 . 1 1 12 12 PHE HD2 H 1 7.041 . . 3 . . . . 34 F HD2 . 18473 1 63 . 1 1 12 12 PHE HE1 H 1 7.166 . . 3 . . . . 34 F HE1 . 18473 1 64 . 1 1 12 12 PHE HE2 H 1 7.166 . . 3 . . . . 34 F HE2 . 18473 1 65 . 1 1 12 12 PHE CA C 13 59.477 . . 1 . . . . 34 F CA . 18473 1 66 . 1 1 12 12 PHE CB C 13 39.337 . . 1 . . . . 34 F CB . 18473 1 67 . 1 1 12 12 PHE N N 15 118.803 . . 1 . . . . 34 F N . 18473 1 68 . 1 1 13 13 GLN H H 1 7.391 . . 1 . . . . 35 Q HN . 18473 1 69 . 1 1 13 13 GLN HA H 1 4.279 . . 1 . . . . 35 Q HA . 18473 1 70 . 1 1 13 13 GLN HB2 H 1 1.799 . . 2 . . . . 35 Q HB1 . 18473 1 71 . 1 1 13 13 GLN HB3 H 1 1.29 . . 2 . . . . 35 Q HB2 . 18473 1 72 . 1 1 13 13 GLN HG2 H 1 2.32 . . 2 . . . . 35 Q HG1 . 18473 1 73 . 1 1 13 13 GLN CA C 13 52.831 . . 1 . . . . 35 Q CA . 18473 1 74 . 1 1 13 13 GLN CB C 13 29.543 . . 1 . . . . 35 Q CB . 18473 1 75 . 1 1 13 13 GLN CG C 13 32.902 . . 1 . . . . 35 Q CG . 18473 1 76 . 1 1 13 13 GLN N N 15 128.467 . . 1 . . . . 35 Q N . 18473 1 77 . 1 1 14 14 GLN H H 1 8.74 . . 1 . . . . 36 Q HN . 18473 1 78 . 1 1 14 14 GLN HA H 1 3.496 . . 1 . . . . 36 Q HA . 18473 1 79 . 1 1 14 14 GLN HB2 H 1 2.253 . . 2 . . . . 36 Q HB1 . 18473 1 80 . 1 1 14 14 GLN HB3 H 1 2.129 . . 2 . . . . 36 Q HB2 . 18473 1 81 . 1 1 14 14 GLN HG2 H 1 2.51 . . 2 . . . . 36 Q HG1 . 18473 1 82 . 1 1 14 14 GLN CA C 13 60.144 . . 1 . . . . 36 Q CA . 18473 1 83 . 1 1 14 14 GLN CB C 13 29.742 . . 1 . . . . 36 Q CB . 18473 1 84 . 1 1 14 14 GLN CG C 13 36.037 . . 1 . . . . 36 Q CG . 18473 1 85 . 1 1 14 14 GLN N N 15 124.853 . . 1 . . . . 36 Q N . 18473 1 86 . 1 1 15 15 ASP H H 1 8.603 . . 1 . . . . 37 D HN . 18473 1 87 . 1 1 15 15 ASP HA H 1 4.2 . . 1 . . . . 37 D HA . 18473 1 88 . 1 1 15 15 ASP HB2 H 1 2.595 . . 2 . . . . 37 D HB1 . 18473 1 89 . 1 1 15 15 ASP HB3 H 1 2.49 . . 2 . . . . 37 D HB2 . 18473 1 90 . 1 1 15 15 ASP CA C 13 56.387 . . 1 . . . . 37 D CA . 18473 1 91 . 1 1 15 15 ASP CB C 13 39.41 . . 1 . . . . 37 D CB . 18473 1 92 . 1 1 15 15 ASP N N 15 113.973 . . 1 . . . . 37 D N . 18473 1 93 . 1 1 16 16 LYS H H 1 6.828 . . 1 . . . . 38 K HN . 18473 1 94 . 1 1 16 16 LYS HA H 1 3.98 . . 1 . . . . 38 K HA . 18473 1 95 . 1 1 16 16 LYS HB2 H 1 1.09 . . 2 . . . . 38 K HB1 . 18473 1 96 . 1 1 16 16 LYS HB3 H 1 0.445 . . 2 . . . . 38 K HB2 . 18473 1 97 . 1 1 16 16 LYS HE2 H 1 2.852 . . 2 . . . . 38 K HE1 . 18473 1 98 . 1 1 16 16 LYS CA C 13 56.333 . . 1 . . . . 38 K CA . 18473 1 99 . 1 1 16 16 LYS CB C 13 31.092 . . 1 . . . . 38 K CB . 18473 1 100 . 1 1 16 16 LYS CG C 13 25.275 . . 1 . . . . 38 K CG . 18473 1 101 . 1 1 16 16 LYS CD C 13 28.418 . . 1 . . . . 38 K CD . 18473 1 102 . 1 1 16 16 LYS CE C 13 41.742 . . 1 . . . . 38 K CE . 18473 1 103 . 1 1 16 16 LYS N N 15 116.473 . . 1 . . . . 38 K N . 18473 1 104 . 1 1 17 17 PHE H H 1 7.459 . . 1 . . . . 39 F HN . 18473 1 105 . 1 1 17 17 PHE HA H 1 4.796 . . 1 . . . . 39 F HA . 18473 1 106 . 1 1 17 17 PHE HB2 H 1 3.364 . . 2 . . . . 39 F HB1 . 18473 1 107 . 1 1 17 17 PHE HB3 H 1 3.187 . . 2 . . . . 39 F HB2 . 18473 1 108 . 1 1 17 17 PHE HD1 H 1 7.238 . . 3 . . . . 39 F HD1 . 18473 1 109 . 1 1 17 17 PHE HD2 H 1 7.238 . . 3 . . . . 39 F HD2 . 18473 1 110 . 1 1 17 17 PHE HE1 H 1 6.656 . . 3 . . . . 39 F HE1 . 18473 1 111 . 1 1 17 17 PHE HE2 H 1 6.932 . . 3 . . . . 39 F HE2 . 18473 1 112 . 1 1 17 17 PHE HZ H 1 6.229 . . 1 . . . . 39 F HZ . 18473 1 113 . 1 1 17 17 PHE CA C 13 57.447 . . 1 . . . . 39 F CA . 18473 1 114 . 1 1 17 17 PHE CB C 13 42.118 . . 1 . . . . 39 F CB . 18473 1 115 . 1 1 17 17 PHE N N 15 119.321 . . 1 . . . . 39 F N . 18473 1 116 . 1 1 18 18 LEU H H 1 6.676 . . 1 . . . . 40 L HN . 18473 1 117 . 1 1 18 18 LEU HA H 1 3.91 . . 1 . . . . 40 L HA . 18473 1 118 . 1 1 18 18 LEU HB2 H 1 1.827 . . 2 . . . . 40 L HB1 . 18473 1 119 . 1 1 18 18 LEU HB3 H 1 1.54 . . 2 . . . . 40 L HB2 . 18473 1 120 . 1 1 18 18 LEU HG H 1 2.273 . . 1 . . . . 40 L HG . 18473 1 121 . 1 1 18 18 LEU HD11 H 1 0.658 . . 2 . . . . 40 L HD11 . 18473 1 122 . 1 1 18 18 LEU HD12 H 1 0.658 . . 2 . . . . 40 L HD11 . 18473 1 123 . 1 1 18 18 LEU HD13 H 1 0.658 . . 2 . . . . 40 L HD11 . 18473 1 124 . 1 1 18 18 LEU HD21 H 1 1.039 . . 2 . . . . 40 L HD21 . 18473 1 125 . 1 1 18 18 LEU HD22 H 1 1.039 . . 2 . . . . 40 L HD21 . 18473 1 126 . 1 1 18 18 LEU HD23 H 1 1.039 . . 2 . . . . 40 L HD21 . 18473 1 127 . 1 1 18 18 LEU CA C 13 54.582 . . 1 . . . . 40 L CA . 18473 1 128 . 1 1 18 18 LEU CB C 13 42.45 . . 1 . . . . 40 L CB . 18473 1 129 . 1 1 18 18 LEU CD1 C 13 22.352 . . 2 . . . . 40 L CD1 . 18473 1 130 . 1 1 18 18 LEU CD2 C 13 25.316 . . 1 . . . . 40 L CD2 . 18473 1 131 . 1 1 18 18 LEU N N 15 111.918 . . 1 . . . . 40 L N . 18473 1 132 . 1 1 19 19 GLY H H 1 8.916 . . 1 . . . . 41 G HN . 18473 1 133 . 1 1 19 19 GLY HA2 H 1 4.323 . . 2 . . . . 41 G HA1 . 18473 1 134 . 1 1 19 19 GLY HA3 H 1 3.684 . . 2 . . . . 41 G HA2 . 18473 1 135 . 1 1 19 19 GLY CA C 13 44.062 . . 1 . . . . 41 G CA . 18473 1 136 . 1 1 19 19 GLY N N 15 107.801 . . 1 . . . . 41 G N . 18473 1 137 . 1 1 20 20 ARG H H 1 8.655 . . 1 . . . . 42 R HN . 18473 1 138 . 1 1 20 20 ARG HA H 1 4.414 . . 1 . . . . 42 R HA . 18473 1 139 . 1 1 20 20 ARG HB2 H 1 1.615 . . 2 . . . . 42 R HB1 . 18473 1 140 . 1 1 20 20 ARG CA C 13 56.839 . . 1 . . . . 42 R CA . 18473 1 141 . 1 1 20 20 ARG CB C 13 30.487 . . 1 . . . . 42 R CB . 18473 1 142 . 1 1 20 20 ARG CG C 13 26.666 . . 1 . . . . 42 R CG . 18473 1 143 . 1 1 20 20 ARG CD C 13 43.373 . . 1 . . . . 42 R CD . 18473 1 144 . 1 1 20 20 ARG N N 15 121.685 . . 1 . . . . 42 R N . 18473 1 145 . 1 1 21 21 TRP H H 1 9.157 . . 1 . . . . 43 W HN . 18473 1 146 . 1 1 21 21 TRP HA H 1 4.614 . . 1 . . . . 43 W HA . 18473 1 147 . 1 1 21 21 TRP HB2 H 1 2.547 . . 2 . . . . 43 W HB1 . 18473 1 148 . 1 1 21 21 TRP HB3 H 1 2.053 . . 2 . . . . 43 W HB2 . 18473 1 149 . 1 1 21 21 TRP HD1 H 1 6.541 . . 1 . . . . 43 W HD1 . 18473 1 150 . 1 1 21 21 TRP HE1 H 1 9.741 . . 2 . . . . 43 W HE1 . 18473 1 151 . 1 1 21 21 TRP HE3 H 1 7.146 . . 3 . . . . 43 W HE3 . 18473 1 152 . 1 1 21 21 TRP HZ3 H 1 6.22 . . 3 . . . . 43 W HZ3 . 18473 1 153 . 1 1 21 21 TRP HH2 H 1 6.59 . . 1 . . . . 43 W HH2 . 18473 1 154 . 1 1 21 21 TRP CA C 13 55.407 . . 1 . . . . 43 W CA . 18473 1 155 . 1 1 21 21 TRP CB C 13 34.141 . . 1 . . . . 43 W CB . 18473 1 156 . 1 1 21 21 TRP N N 15 130.604 . . 1 . . . . 43 W N . 18473 1 157 . 1 1 21 21 TRP NE1 N 15 130.315 . . 1 . . . . 43 W NE1 . 18473 1 158 . 1 1 22 22 TYR H H 1 9.62 . . 1 . . . . 44 Y HN . 18473 1 159 . 1 1 22 22 TYR HA H 1 5.332 . . 1 . . . . 44 Y HA . 18473 1 160 . 1 1 22 22 TYR HB2 H 1 2.949 . . 2 . . . . 44 Y HB1 . 18473 1 161 . 1 1 22 22 TYR HB3 H 1 2.795 . . 2 . . . . 44 Y HB2 . 18473 1 162 . 1 1 22 22 TYR HD1 H 1 7.033 . . 3 . . . . 44 Y HD1 . 18473 1 163 . 1 1 22 22 TYR HD2 H 1 7.033 . . 3 . . . . 44 Y HD2 . 18473 1 164 . 1 1 22 22 TYR HE1 H 1 6.845 . . 3 . . . . 44 Y HE1 . 18473 1 165 . 1 1 22 22 TYR HE2 H 1 6.845 . . 3 . . . . 44 Y HE2 . 18473 1 166 . 1 1 22 22 TYR CA C 13 57.357 . . 1 . . . . 44 Y CA . 18473 1 167 . 1 1 22 22 TYR CB C 13 39.892 . . 1 . . . . 44 Y CB . 18473 1 168 . 1 1 22 22 TYR N N 15 118.079 . . 1 . . . . 44 Y N . 18473 1 169 . 1 1 23 23 SER H H 1 8.975 . . 1 . . . . 45 S HN . 18473 1 170 . 1 1 23 23 SER HA H 1 3.994 . . 1 . . . . 45 S HA . 18473 1 171 . 1 1 23 23 SER HB2 H 1 3.881 . . 2 . . . . 45 S HB1 . 18473 1 172 . 1 1 23 23 SER CA C 13 57.936 . . 1 . . . . 45 S CA . 18473 1 173 . 1 1 23 23 SER CB C 13 63.117 . . 1 . . . . 45 S CB . 18473 1 174 . 1 1 23 23 SER N N 15 119.045 . . 1 . . . . 45 S N . 18473 1 175 . 1 1 24 24 ALA H H 1 8.759 . . 1 . . . . 46 A HN . 18473 1 176 . 1 1 24 24 ALA HA H 1 4.833 . . 1 . . . . 46 A HA . 18473 1 177 . 1 1 24 24 ALA HB1 H 1 1.495 . . 1 . . . . 46 A HB1 . 18473 1 178 . 1 1 24 24 ALA HB2 H 1 1.495 . . 1 . . . . 46 A HB1 . 18473 1 179 . 1 1 24 24 ALA HB3 H 1 1.495 . . 1 . . . . 46 A HB1 . 18473 1 180 . 1 1 24 24 ALA CA C 13 52.198 . . 1 . . . . 46 A CA . 18473 1 181 . 1 1 24 24 ALA CB C 13 22.279 . . 1 . . . . 46 A CB . 18473 1 182 . 1 1 24 24 ALA N N 15 126.821 . . 1 . . . . 46 A N . 18473 1 183 . 1 1 25 25 GLY H H 1 7.934 . . 1 . . . . 47 G HN . 18473 1 184 . 1 1 25 25 GLY HA2 H 1 4.934 . . 2 . . . . 47 G HA1 . 18473 1 185 . 1 1 25 25 GLY HA3 H 1 2.81 . . 2 . . . . 47 G HA2 . 18473 1 186 . 1 1 25 25 GLY CA C 13 45.088 . . 1 . . . . 47 G CA . 18473 1 187 . 1 1 25 25 GLY N N 15 107.495 . . 1 . . . . 47 G N . 18473 1 188 . 1 1 26 26 LEU H H 1 9.107 . . 1 . . . . 48 L HN . 18473 1 189 . 1 1 26 26 LEU HA H 1 5.411 . . 1 . . . . 48 L HA . 18473 1 190 . 1 1 26 26 LEU HB2 H 1 1.597 . . 2 . . . . 48 L HB1 . 18473 1 191 . 1 1 26 26 LEU HD11 H 1 1.127 . . 2 . . . . 48 L HD11 . 18473 1 192 . 1 1 26 26 LEU HD12 H 1 1.127 . . 2 . . . . 48 L HD11 . 18473 1 193 . 1 1 26 26 LEU HD13 H 1 1.127 . . 2 . . . . 48 L HD11 . 18473 1 194 . 1 1 26 26 LEU CA C 13 54.359 . . 1 . . . . 48 L CA . 18473 1 195 . 1 1 26 26 LEU CB C 13 49.003 . . 1 . . . . 48 L CB . 18473 1 196 . 1 1 26 26 LEU CD1 C 13 25.78 . . 2 . . . . 48 L CD1 . 18473 1 197 . 1 1 26 26 LEU N N 15 124.867 . . 1 . . . . 48 L N . 18473 1 198 . 1 1 27 27 ALA H H 1 8.928 . . 1 . . . . 49 A HN . 18473 1 199 . 1 1 27 27 ALA HA H 1 5.523 . . 1 . . . . 49 A HA . 18473 1 200 . 1 1 27 27 ALA HB1 H 1 1.116 . . 1 . . . . 49 A HB1 . 18473 1 201 . 1 1 27 27 ALA HB2 H 1 1.116 . . 1 . . . . 49 A HB1 . 18473 1 202 . 1 1 27 27 ALA HB3 H 1 1.116 . . 1 . . . . 49 A HB1 . 18473 1 203 . 1 1 27 27 ALA CA C 13 50.717 . . 1 . . . . 49 A CA . 18473 1 204 . 1 1 27 27 ALA CB C 13 24.33 . . 1 . . . . 49 A CB . 18473 1 205 . 1 1 27 27 ALA N N 15 124.268 . . 1 . . . . 49 A N . 18473 1 206 . 1 1 28 28 SER H H 1 7.251 . . 1 . . . . 50 S HN . 18473 1 207 . 1 1 28 28 SER HA H 1 4.628 . . 1 . . . . 50 S HA . 18473 1 208 . 1 1 28 28 SER HB2 H 1 3.488 . . 2 . . . . 50 S HB1 . 18473 1 209 . 1 1 28 28 SER HB3 H 1 2.586 . . 2 . . . . 50 S HB2 . 18473 1 210 . 1 1 28 28 SER CA C 13 55.913 . . 1 . . . . 50 S CA . 18473 1 211 . 1 1 28 28 SER CB C 13 64.638 . . 1 . . . . 50 S CB . 18473 1 212 . 1 1 28 28 SER N N 15 113.882 . . 1 . . . . 50 S N . 18473 1 213 . 1 1 29 29 ASN H H 1 7.653 . . 1 . . . . 51 N HN . 18473 1 214 . 1 1 29 29 ASN HA H 1 4.853 . . 1 . . . . 51 N HA . 18473 1 215 . 1 1 29 29 ASN HB2 H 1 3.31 . . 2 . . . . 51 N HB1 . 18473 1 216 . 1 1 29 29 ASN HB3 H 1 2.521 . . 2 . . . . 51 N HB2 . 18473 1 217 . 1 1 29 29 ASN CA C 13 51.721 . . 1 . . . . 51 N CA . 18473 1 218 . 1 1 29 29 ASN CB C 13 37.78 . . 1 . . . . 51 N CB . 18473 1 219 . 1 1 29 29 ASN N N 15 120.341 . . 1 . . . . 51 N N . 18473 1 220 . 1 1 30 30 SER H H 1 8.248 . . 1 . . . . 52 S HN . 18473 1 221 . 1 1 30 30 SER HA H 1 4.605 . . 1 . . . . 52 S HA . 18473 1 222 . 1 1 30 30 SER HB2 H 1 4.032 . . 2 . . . . 52 S HB1 . 18473 1 223 . 1 1 30 30 SER CA C 13 57.9 . . 1 . . . . 52 S CA . 18473 1 224 . 1 1 30 30 SER CB C 13 65.215 . . 1 . . . . 52 S CB . 18473 1 225 . 1 1 30 30 SER N N 15 115.615 . . 1 . . . . 52 S N . 18473 1 226 . 1 1 33 33 PHE HA H 1 3.504 . . 1 . . . . 55 F HA . 18473 1 227 . 1 1 33 33 PHE HB2 H 1 2.952 . . 2 . . . . 55 F HB1 . 18473 1 228 . 1 1 33 33 PHE HD1 H 1 7.034 . . 3 . . . . 55 F HD1 . 18473 1 229 . 1 1 33 33 PHE HD2 H 1 7.034 . . 3 . . . . 55 F HD2 . 18473 1 230 . 1 1 33 33 PHE CA C 13 61.084 . . 1 . . . . 55 F CA . 18473 1 231 . 1 1 33 33 PHE CB C 13 39.363 . . 1 . . . . 55 F CB . 18473 1 232 . 1 1 34 34 ARG H H 1 7.978 . . 1 . . . . 56 R HN . 18473 1 233 . 1 1 34 34 ARG HA H 1 3.615 . . 1 . . . . 56 R HA . 18473 1 234 . 1 1 34 34 ARG HB2 H 1 1.895 . . 2 . . . . 56 R HB1 . 18473 1 235 . 1 1 34 34 ARG CA C 13 60.044 . . 1 . . . . 56 R CA . 18473 1 236 . 1 1 34 34 ARG CB C 13 29.984 . . 1 . . . . 56 R CB . 18473 1 237 . 1 1 34 34 ARG CG C 13 28.4 . . 1 . . . . 56 R CG . 18473 1 238 . 1 1 34 34 ARG CD C 13 43.449 . . 1 . . . . 56 R CD . 18473 1 239 . 1 1 34 34 ARG N N 15 117.368 . . 1 . . . . 56 R N . 18473 1 240 . 1 1 35 35 GLU H H 1 7.722 . . 1 . . . . 57 E HN . 18473 1 241 . 1 1 35 35 GLU HA H 1 3.92 . . 1 . . . . 57 E HA . 18473 1 242 . 1 1 35 35 GLU HB2 H 1 1.893 . . 2 . . . . 57 E HB1 . 18473 1 243 . 1 1 35 35 GLU HG2 H 1 2.991 . . 2 . . . . 57 E HG1 . 18473 1 244 . 1 1 35 35 GLU CA C 13 58.122 . . 1 . . . . 57 E CA . 18473 1 245 . 1 1 35 35 GLU CB C 13 30.092 . . 1 . . . . 57 E CB . 18473 1 246 . 1 1 35 35 GLU CG C 13 36.287 . . 1 . . . . 57 E CG . 18473 1 247 . 1 1 35 35 GLU N N 15 116.18 . . 1 . . . . 57 E N . 18473 1 248 . 1 1 36 36 LYS H H 1 7.508 . . 1 . . . . 58 K HN . 18473 1 249 . 1 1 36 36 LYS HA H 1 4.164 . . 1 . . . . 58 K HA . 18473 1 250 . 1 1 36 36 LYS HB2 H 1 1.496 . . 2 . . . . 58 K HB1 . 18473 1 251 . 1 1 36 36 LYS HB3 H 1 1 . . 2 . . . . 58 K HB2 . 18473 1 252 . 1 1 36 36 LYS HG2 H 1 0.996 . . 2 . . . . 58 K HG1 . 18473 1 253 . 1 1 36 36 LYS HG3 H 1 0.837 . . 2 . . . . 58 K HG2 . 18473 1 254 . 1 1 36 36 LYS HD2 H 1 1.3 . . 2 . . . . 58 K HD1 . 18473 1 255 . 1 1 36 36 LYS HD3 H 1 1.126 . . 2 . . . . 58 K HD2 . 18473 1 256 . 1 1 36 36 LYS HE2 H 1 2.811 . . 2 . . . . 58 K HE1 . 18473 1 257 . 1 1 36 36 LYS HE3 H 1 2.701 . . 2 . . . . 58 K HE2 . 18473 1 258 . 1 1 36 36 LYS CA C 13 55.255 . . 1 . . . . 58 K CA . 18473 1 259 . 1 1 36 36 LYS CB C 13 32.625 . . 1 . . . . 58 K CB . 18473 1 260 . 1 1 36 36 LYS CG C 13 24.339 . . 1 . . . . 58 K CG . 18473 1 261 . 1 1 36 36 LYS CD C 13 28.165 . . 1 . . . . 58 K CD . 18473 1 262 . 1 1 36 36 LYS CE C 13 41.977 . . 1 . . . . 58 K CE . 18473 1 263 . 1 1 36 36 LYS N N 15 116.546 . . 1 . . . . 58 K N . 18473 1 264 . 1 1 37 37 LYS H H 1 7.431 . . 1 . . . . 59 K HN . 18473 1 265 . 1 1 37 37 LYS HA H 1 3.288 . . 1 . . . . 59 K HA . 18473 1 266 . 1 1 37 37 LYS HB2 H 1 1.312 . . 2 . . . . 59 K HB1 . 18473 1 267 . 1 1 37 37 LYS HB3 H 1 1.131 . . 2 . . . . 59 K HB2 . 18473 1 268 . 1 1 37 37 LYS HG2 H 1 1.081 . . 2 . . . . 59 K HG1 . 18473 1 269 . 1 1 37 37 LYS HE2 H 1 2.873 . . 2 . . . . 59 K HE1 . 18473 1 270 . 1 1 37 37 LYS CA C 13 60.063 . . 1 . . . . 59 K CA . 18473 1 271 . 1 1 37 37 LYS CB C 13 31.585 . . 1 . . . . 59 K CB . 18473 1 272 . 1 1 37 37 LYS CG C 13 23.805 . . 1 . . . . 59 K CG . 18473 1 273 . 1 1 37 37 LYS CD C 13 29.964 . . 1 . . . . 59 K CD . 18473 1 274 . 1 1 37 37 LYS CE C 13 41.911 . . 1 . . . . 59 K CE . 18473 1 275 . 1 1 37 37 LYS N N 15 118.797 . . 1 . . . . 59 K N . 18473 1 276 . 1 1 38 38 ALA H H 1 8.023 . . 1 . . . . 60 A HN . 18473 1 277 . 1 1 38 38 ALA HA H 1 4.203 . . 1 . . . . 60 A HA . 18473 1 278 . 1 1 38 38 ALA HB1 H 1 1.372 . . 1 . . . . 60 A HB1 . 18473 1 279 . 1 1 38 38 ALA HB2 H 1 1.372 . . 1 . . . . 60 A HB1 . 18473 1 280 . 1 1 38 38 ALA HB3 H 1 1.372 . . 1 . . . . 60 A HB1 . 18473 1 281 . 1 1 38 38 ALA CA C 13 53.388 . . 1 . . . . 60 A CA . 18473 1 282 . 1 1 38 38 ALA CB C 13 19.148 . . 1 . . . . 60 A CB . 18473 1 283 . 1 1 38 38 ALA N N 15 117.567 . . 1 . . . . 60 A N . 18473 1 284 . 1 1 39 39 VAL H H 1 7.905 . . 1 . . . . 61 V HN . 18473 1 285 . 1 1 39 39 VAL HA H 1 4.515 . . 1 . . . . 61 V HA . 18473 1 286 . 1 1 39 39 VAL HB H 1 2.5 . . 1 . . . . 61 V HB . 18473 1 287 . 1 1 39 39 VAL HG11 H 1 0.866 . . 4 . . . . 61 V HG11 . 18473 1 288 . 1 1 39 39 VAL HG12 H 1 0.866 . . 4 . . . . 61 V HG11 . 18473 1 289 . 1 1 39 39 VAL HG13 H 1 0.866 . . 4 . . . . 61 V HG11 . 18473 1 290 . 1 1 39 39 VAL HG21 H 1 0.866 . . 2 . . . . 61 V HG21 . 18473 1 291 . 1 1 39 39 VAL HG22 H 1 0.866 . . 2 . . . . 61 V HG21 . 18473 1 292 . 1 1 39 39 VAL HG23 H 1 0.866 . . 2 . . . . 61 V HG21 . 18473 1 293 . 1 1 39 39 VAL CA C 13 59.979 . . 1 . . . . 61 V CA . 18473 1 294 . 1 1 39 39 VAL CB C 13 31.55 . . 1 . . . . 61 V CB . 18473 1 295 . 1 1 39 39 VAL CG1 C 13 21.215 . . 2 . . . . 61 V CG1 . 18473 1 296 . 1 1 39 39 VAL CG2 C 13 19.165 . . 2 . . . . 61 V CG2 . 18473 1 297 . 1 1 39 39 VAL N N 15 109.759 . . 1 . . . . 61 V N . 18473 1 298 . 1 1 40 40 LEU H H 1 6.689 . . 1 . . . . 62 L HN . 18473 1 299 . 1 1 40 40 LEU HA H 1 4.341 . . 1 . . . . 62 L HA . 18473 1 300 . 1 1 40 40 LEU HB2 H 1 1.569 . . 2 . . . . 62 L HB1 . 18473 1 301 . 1 1 40 40 LEU HB3 H 1 1.216 . . 2 . . . . 62 L HB2 . 18473 1 302 . 1 1 40 40 LEU HG H 1 1.83 . . 1 . . . . 62 L HG . 18473 1 303 . 1 1 40 40 LEU HD11 H 1 0.742 . . 4 . . . . 62 L HD11 . 18473 1 304 . 1 1 40 40 LEU HD12 H 1 0.742 . . 4 . . . . 62 L HD11 . 18473 1 305 . 1 1 40 40 LEU HD13 H 1 0.742 . . 4 . . . . 62 L HD11 . 18473 1 306 . 1 1 40 40 LEU CA C 13 54.928 . . 1 . . . . 62 L CA . 18473 1 307 . 1 1 40 40 LEU CB C 13 43.017 . . 1 . . . . 62 L CB . 18473 1 308 . 1 1 40 40 LEU N N 15 120.175 . . 1 . . . . 62 L N . 18473 1 309 . 1 1 41 41 TYR H H 1 7.642 . . 1 . . . . 63 Y HN . 18473 1 310 . 1 1 41 41 TYR HA H 1 4.778 . . 1 . . . . 63 Y HA . 18473 1 311 . 1 1 41 41 TYR HB2 H 1 3.107 . . 2 . . . . 63 Y HB1 . 18473 1 312 . 1 1 41 41 TYR HB3 H 1 2.874 . . 2 . . . . 63 Y HB2 . 18473 1 313 . 1 1 41 41 TYR HD1 H 1 7.12 . . 3 . . . . 63 Y HD1 . 18473 1 314 . 1 1 41 41 TYR HD2 H 1 7.12 . . 3 . . . . 63 Y HD2 . 18473 1 315 . 1 1 41 41 TYR HE1 H 1 6.845 . . 3 . . . . 63 Y HE1 . 18473 1 316 . 1 1 41 41 TYR HE2 H 1 6.845 . . 3 . . . . 63 Y HE2 . 18473 1 317 . 1 1 41 41 TYR CA C 13 56.394 . . 1 . . . . 63 Y CA . 18473 1 318 . 1 1 41 41 TYR CB C 13 41.935 . . 1 . . . . 63 Y CB . 18473 1 319 . 1 1 41 41 TYR N N 15 117.467 . . 1 . . . . 63 Y N . 18473 1 320 . 1 1 42 42 MET H H 1 8.734 . . 1 . . . . 64 M HN . 18473 1 321 . 1 1 42 42 MET HA H 1 4.251 . . 1 . . . . 64 M HA . 18473 1 322 . 1 1 42 42 MET HB2 H 1 1.861 . . 2 . . . . 64 M HB1 . 18473 1 323 . 1 1 42 42 MET HB3 H 1 2.165 . . 2 . . . . 64 M HB2 . 18473 1 324 . 1 1 42 42 MET HG2 H 1 2.892 . . 2 . . . . 64 M HG1 . 18473 1 325 . 1 1 42 42 MET CA C 13 57.475 . . 1 . . . . 64 M CA . 18473 1 326 . 1 1 42 42 MET CB C 13 34.646 . . 1 . . . . 64 M CB . 18473 1 327 . 1 1 42 42 MET N N 15 120.657 . . 1 . . . . 64 M N . 18473 1 328 . 1 1 43 43 CYS H H 1 7.873 . . 1 . . . . 65 C HN . 18473 1 329 . 1 1 43 43 CYS HA H 1 5.259 . . 1 . . . . 65 C HA . 18473 1 330 . 1 1 43 43 CYS HB2 H 1 3.18 . . 2 . . . . 65 C HB1 . 18473 1 331 . 1 1 43 43 CYS HB3 H 1 2.75 . . 2 . . . . 65 C HB2 . 18473 1 332 . 1 1 43 43 CYS CA C 13 55.974 . . 1 . . . . 65 C CA . 18473 1 333 . 1 1 43 43 CYS CB C 13 31.041 . . 1 . . . . 65 C CB . 18473 1 334 . 1 1 43 43 CYS N N 15 121.398 . . 1 . . . . 65 C N . 18473 1 335 . 1 1 44 44 LYS HA H 1 4.589 . . 1 . . . . 66 K HA . 18473 1 336 . 1 1 44 44 LYS HB2 H 1 1.722 . . 2 . . . . 66 K HB1 . 18473 1 337 . 1 1 44 44 LYS HE2 H 1 2.982 . . 2 . . . . 66 K HE1 . 18473 1 338 . 1 1 44 44 LYS HE3 H 1 3.07 . . 2 . . . . 66 K HE2 . 18473 1 339 . 1 1 44 44 LYS CA C 13 55.894 . . 1 . . . . 66 K CA . 18473 1 340 . 1 1 44 44 LYS CB C 13 33.972 . . 1 . . . . 66 K CB . 18473 1 341 . 1 1 44 44 LYS CG C 13 24.844 . . 1 . . . . 66 K CG . 18473 1 342 . 1 1 44 44 LYS CD C 13 27.428 . . 1 . . . . 66 K CD . 18473 1 343 . 1 1 44 44 LYS CE C 13 41.89 . . 1 . . . . 66 K CE . 18473 1 344 . 1 1 45 45 THR H H 1 9.273 . . 1 . . . . 67 T HN . 18473 1 345 . 1 1 45 45 THR HA H 1 4.898 . . 1 . . . . 67 T HA . 18473 1 346 . 1 1 45 45 THR HB H 1 3.32 . . 1 . . . . 67 T HB . 18473 1 347 . 1 1 45 45 THR HG21 H 1 0.902 . . 1 . . . . 67 T HG21 . 18473 1 348 . 1 1 45 45 THR HG22 H 1 0.902 . . 1 . . . . 67 T HG21 . 18473 1 349 . 1 1 45 45 THR HG23 H 1 0.902 . . 1 . . . . 67 T HG21 . 18473 1 350 . 1 1 45 45 THR CA C 13 62.118 . . 1 . . . . 67 T CA . 18473 1 351 . 1 1 45 45 THR CB C 13 72.257 . . 1 . . . . 67 T CB . 18473 1 352 . 1 1 45 45 THR CG2 C 13 21.108 . . 1 . . . . 67 T CG2 . 18473 1 353 . 1 1 45 45 THR N N 15 125.283 . . 1 . . . . 67 T N . 18473 1 354 . 1 1 46 46 VAL H H 1 8.95 . . 1 . . . . 68 V HN . 18473 1 355 . 1 1 46 46 VAL HA H 1 4.45 . . 1 . . . . 68 V HA . 18473 1 356 . 1 1 46 46 VAL HB H 1 1.878 . . 1 . . . . 68 V HB . 18473 1 357 . 1 1 46 46 VAL HG11 H 1 0.839 . . 2 . . . . 68 V HG11 . 18473 1 358 . 1 1 46 46 VAL HG12 H 1 0.839 . . 2 . . . . 68 V HG11 . 18473 1 359 . 1 1 46 46 VAL HG13 H 1 0.839 . . 2 . . . . 68 V HG11 . 18473 1 360 . 1 1 46 46 VAL HG21 H 1 0.77 . . 2 . . . . 68 V HG21 . 18473 1 361 . 1 1 46 46 VAL HG22 H 1 0.77 . . 2 . . . . 68 V HG21 . 18473 1 362 . 1 1 46 46 VAL HG23 H 1 0.77 . . 2 . . . . 68 V HG21 . 18473 1 363 . 1 1 46 46 VAL CA C 13 61.571 . . 1 . . . . 68 V CA . 18473 1 364 . 1 1 46 46 VAL CB C 13 33.099 . . 1 . . . . 68 V CB . 18473 1 365 . 1 1 46 46 VAL CG1 C 13 21.679 . . 2 . . . . 68 V CG1 . 18473 1 366 . 1 1 46 46 VAL CG2 C 13 21.679 . . 1 . . . . 68 V CG2 . 18473 1 367 . 1 1 46 46 VAL N N 15 126.615 . . 1 . . . . 68 V N . 18473 1 368 . 1 1 47 47 VAL H H 1 9.294 . . 1 . . . . 69 V HN . 18473 1 369 . 1 1 47 47 VAL HA H 1 4.676 . . 1 . . . . 69 V HA . 18473 1 370 . 1 1 47 47 VAL HB H 1 2.229 . . 1 . . . . 69 V HB . 18473 1 371 . 1 1 47 47 VAL HG11 H 1 0.945 . . 2 . . . . 69 V HG11 . 18473 1 372 . 1 1 47 47 VAL HG12 H 1 0.945 . . 2 . . . . 69 V HG11 . 18473 1 373 . 1 1 47 47 VAL HG13 H 1 0.945 . . 2 . . . . 69 V HG11 . 18473 1 374 . 1 1 47 47 VAL HG21 H 1 0.738 . . 2 . . . . 69 V HG21 . 18473 1 375 . 1 1 47 47 VAL HG22 H 1 0.738 . . 2 . . . . 69 V HG21 . 18473 1 376 . 1 1 47 47 VAL HG23 H 1 0.738 . . 2 . . . . 69 V HG21 . 18473 1 377 . 1 1 47 47 VAL CA C 13 61.864 . . 1 . . . . 69 V CA . 18473 1 378 . 1 1 47 47 VAL CB C 13 32.509 . . 1 . . . . 69 V CB . 18473 1 379 . 1 1 47 47 VAL CG1 C 13 23.703 . . 2 . . . . 69 V CG1 . 18473 1 380 . 1 1 47 47 VAL CG2 C 13 21.632 . . 2 . . . . 69 V CG2 . 18473 1 381 . 1 1 47 47 VAL N N 15 130.74 . . 1 . . . . 69 V N . 18473 1 382 . 1 1 48 48 ALA H H 1 9.294 . . 1 . . . . 70 A HN . 18473 1 383 . 1 1 48 48 ALA HB1 H 1 1.375 . . 1 . . . . 70 A HB1 . 18473 1 384 . 1 1 48 48 ALA HB2 H 1 1.375 . . 1 . . . . 70 A HB1 . 18473 1 385 . 1 1 48 48 ALA HB3 H 1 1.375 . . 1 . . . . 70 A HB1 . 18473 1 386 . 1 1 48 48 ALA CA C 13 49.675 . . 1 . . . . 70 A CA . 18473 1 387 . 1 1 48 48 ALA CB C 13 21.242 . . 1 . . . . 70 A CB . 18473 1 388 . 1 1 48 48 ALA N N 15 133.872 . . 1 . . . . 70 A N . 18473 1 389 . 1 1 49 49 PRO HA H 1 4.839 . . 1 . . . . 71 P HA . 18473 1 390 . 1 1 49 49 PRO HB2 H 1 2.391 . . 2 . . . . 71 P HB1 . 18473 1 391 . 1 1 49 49 PRO HB3 H 1 1.975 . . 2 . . . . 71 P HB2 . 18473 1 392 . 1 1 49 49 PRO HG2 H 1 2.21 . . 2 . . . . 71 P HG1 . 18473 1 393 . 1 1 49 49 PRO HG3 H 1 2.053 . . 2 . . . . 71 P HG2 . 18473 1 394 . 1 1 49 49 PRO HD2 H 1 3.691 . . 2 . . . . 71 P HD1 . 18473 1 395 . 1 1 49 49 PRO CA C 13 62.974 . . 1 . . . . 71 P CA . 18473 1 396 . 1 1 49 49 PRO CB C 13 32.156 . . 1 . . . . 71 P CB . 18473 1 397 . 1 1 49 49 PRO CG C 13 27.44 . . 1 . . . . 71 P CG . 18473 1 398 . 1 1 49 49 PRO CD C 13 49.701 . . 1 . . . . 71 P CD . 18473 1 399 . 1 1 50 50 SER H H 1 8.068 . . 1 . . . . 72 S HN . 18473 1 400 . 1 1 50 50 SER HA H 1 4.886 . . 1 . . . . 72 S HA . 18473 1 401 . 1 1 50 50 SER HB2 H 1 4.14 . . 2 . . . . 72 S HB1 . 18473 1 402 . 1 1 50 50 SER HB3 H 1 3.462 . . 2 . . . . 72 S HB2 . 18473 1 403 . 1 1 50 50 SER CA C 13 55.428 . . 1 . . . . 72 S CA . 18473 1 404 . 1 1 50 50 SER CB C 13 65.344 . . 1 . . . . 72 S CB . 18473 1 405 . 1 1 50 50 SER N N 15 117.88 . . 1 . . . . 72 S N . 18473 1 406 . 1 1 51 51 THR HA H 1 4.085 . . 1 . . . . 73 T HA . 18473 1 407 . 1 1 51 51 THR HB H 1 4.293 . . 1 . . . . 73 T HB . 18473 1 408 . 1 1 51 51 THR HG21 H 1 1.301 . . 1 . . . . 73 T HG21 . 18473 1 409 . 1 1 51 51 THR HG22 H 1 1.301 . . 1 . . . . 73 T HG21 . 18473 1 410 . 1 1 51 51 THR HG23 H 1 1.301 . . 1 . . . . 73 T HG21 . 18473 1 411 . 1 1 51 51 THR CA C 13 64.547 . . 1 . . . . 73 T CA . 18473 1 412 . 1 1 51 51 THR CB C 13 68.767 . . 1 . . . . 73 T CB . 18473 1 413 . 1 1 51 51 THR CG2 C 13 22.118 . . 1 . . . . 73 T CG2 . 18473 1 414 . 1 1 52 52 GLU H H 1 8.173 . . 1 . . . . 74 E HN . 18473 1 415 . 1 1 52 52 GLU HA H 1 4.434 . . 1 . . . . 74 E HA . 18473 1 416 . 1 1 52 52 GLU HB2 H 1 2.268 . . 2 . . . . 74 E HB1 . 18473 1 417 . 1 1 52 52 GLU HB3 H 1 2.012 . . 2 . . . . 74 E HB2 . 18473 1 418 . 1 1 52 52 GLU CA C 13 56.524 . . 1 . . . . 74 E CA . 18473 1 419 . 1 1 52 52 GLU CB C 13 29.398 . . 1 . . . . 74 E CB . 18473 1 420 . 1 1 52 52 GLU CG C 13 36.729 . . 1 . . . . 74 E CG . 18473 1 421 . 1 1 52 52 GLU N N 15 118.344 . . 1 . . . . 74 E N . 18473 1 422 . 1 1 53 53 GLY H H 1 7.729 . . 1 . . . . 75 G HN . 18473 1 423 . 1 1 53 53 GLY HA2 H 1 4.438 . . 2 . . . . 75 G HA1 . 18473 1 424 . 1 1 53 53 GLY HA3 H 1 3.863 . . 2 . . . . 75 G HA2 . 18473 1 425 . 1 1 53 53 GLY CA C 13 45.558 . . 1 . . . . 75 G CA . 18473 1 426 . 1 1 53 53 GLY N N 15 106.467 . . 1 . . . . 75 G N . 18473 1 427 . 1 1 54 54 GLY H H 1 7.783 . . 1 . . . . 76 G HN . 18473 1 428 . 1 1 54 54 GLY HA2 H 1 4.693 . . 2 . . . . 76 G HA1 . 18473 1 429 . 1 1 54 54 GLY HA3 H 1 4.161 . . 2 . . . . 76 G HA2 . 18473 1 430 . 1 1 54 54 GLY CA C 13 44.032 . . 1 . . . . 76 G CA . 18473 1 431 . 1 1 54 54 GLY N N 15 108.704 . . 1 . . . . 76 G N . 18473 1 432 . 1 1 55 55 LEU H H 1 8.34 . . 1 . . . . 77 L HN . 18473 1 433 . 1 1 55 55 LEU HA H 1 5.139 . . 1 . . . . 77 L HA . 18473 1 434 . 1 1 55 55 LEU HB2 H 1 1.276 . . 2 . . . . 77 L HB1 . 18473 1 435 . 1 1 55 55 LEU HB3 H 1 1.101 . . 2 . . . . 77 L HB2 . 18473 1 436 . 1 1 55 55 LEU HG H 1 1.365 . . 1 . . . . 77 L HG . 18473 1 437 . 1 1 55 55 LEU HD11 H 1 0.765 . . 2 . . . . 77 L HD11 . 18473 1 438 . 1 1 55 55 LEU HD12 H 1 0.765 . . 2 . . . . 77 L HD11 . 18473 1 439 . 1 1 55 55 LEU HD13 H 1 0.765 . . 2 . . . . 77 L HD11 . 18473 1 440 . 1 1 55 55 LEU HD21 H 1 0.604 . . 2 . . . . 77 L HD21 . 18473 1 441 . 1 1 55 55 LEU HD22 H 1 0.604 . . 2 . . . . 77 L HD21 . 18473 1 442 . 1 1 55 55 LEU HD23 H 1 0.604 . . 2 . . . . 77 L HD21 . 18473 1 443 . 1 1 55 55 LEU CA C 13 53.294 . . 1 . . . . 77 L CA . 18473 1 444 . 1 1 55 55 LEU CB C 13 47.61 . . 1 . . . . 77 L CB . 18473 1 445 . 1 1 55 55 LEU CD1 C 13 23.788 . . 2 . . . . 77 L CD1 . 18473 1 446 . 1 1 55 55 LEU CD2 C 13 25.338 . . 1 . . . . 77 L CD2 . 18473 1 447 . 1 1 55 55 LEU N N 15 120.398 . . 1 . . . . 77 L N . 18473 1 448 . 1 1 56 56 ASN H H 1 9.445 . . 1 . . . . 78 N HN . 18473 1 449 . 1 1 56 56 ASN HA H 1 5.21 . . 1 . . . . 78 N HA . 18473 1 450 . 1 1 56 56 ASN HB2 H 1 2.455 . . 2 . . . . 78 N HB1 . 18473 1 451 . 1 1 56 56 ASN CA C 13 52.3 . . 1 . . . . 78 N CA . 18473 1 452 . 1 1 56 56 ASN CB C 13 40.931 . . 1 . . . . 78 N CB . 18473 1 453 . 1 1 56 56 ASN N N 15 120.248 . . 1 . . . . 78 N N . 18473 1 454 . 1 1 57 57 LEU H H 1 9.358 . . 1 . . . . 79 L HN . 18473 1 455 . 1 1 57 57 LEU HA H 1 4.762 . . 1 . . . . 79 L HA . 18473 1 456 . 1 1 57 57 LEU HB2 H 1 1.678 . . 2 . . . . 79 L HB1 . 18473 1 457 . 1 1 57 57 LEU HB3 H 1 1.527 . . 2 . . . . 79 L HB2 . 18473 1 458 . 1 1 57 57 LEU HG H 1 1.379 . . 1 . . . . 79 L HG . 18473 1 459 . 1 1 57 57 LEU HD11 H 1 0.804 . . 2 . . . . 79 L HD11 . 18473 1 460 . 1 1 57 57 LEU HD12 H 1 0.804 . . 2 . . . . 79 L HD11 . 18473 1 461 . 1 1 57 57 LEU HD13 H 1 0.804 . . 2 . . . . 79 L HD11 . 18473 1 462 . 1 1 57 57 LEU HD21 H 1 0.757 . . 2 . . . . 79 L HD21 . 18473 1 463 . 1 1 57 57 LEU HD22 H 1 0.757 . . 2 . . . . 79 L HD21 . 18473 1 464 . 1 1 57 57 LEU HD23 H 1 0.757 . . 2 . . . . 79 L HD21 . 18473 1 465 . 1 1 57 57 LEU CA C 13 54.354 . . 1 . . . . 79 L CA . 18473 1 466 . 1 1 57 57 LEU CB C 13 42.985 . . 1 . . . . 79 L CB . 18473 1 467 . 1 1 57 57 LEU CG C 13 29.517 . . 1 . . . . 79 L CG . 18473 1 468 . 1 1 57 57 LEU CD1 C 13 25.367 . . 2 . . . . 79 L CD1 . 18473 1 469 . 1 1 57 57 LEU CD2 C 13 23.784 . . 1 . . . . 79 L CD2 . 18473 1 470 . 1 1 57 57 LEU N N 15 126.987 . . 1 . . . . 79 L N . 18473 1 471 . 1 1 58 58 THR H H 1 8.914 . . 1 . . . . 80 T HN . 18473 1 472 . 1 1 58 58 THR HA H 1 4.952 . . 1 . . . . 80 T HA . 18473 1 473 . 1 1 58 58 THR HB H 1 4.006 . . 1 . . . . 80 T HB . 18473 1 474 . 1 1 58 58 THR HG21 H 1 1.078 . . 1 . . . . 80 T HG21 . 18473 1 475 . 1 1 58 58 THR HG22 H 1 1.078 . . 1 . . . . 80 T HG21 . 18473 1 476 . 1 1 58 58 THR HG23 H 1 1.078 . . 1 . . . . 80 T HG21 . 18473 1 477 . 1 1 58 58 THR CA C 13 62.118 . . 1 . . . . 80 T CA . 18473 1 478 . 1 1 58 58 THR CB C 13 69.433 . . 1 . . . . 80 T CB . 18473 1 479 . 1 1 58 58 THR CG2 C 13 22.07 . . 1 . . . . 80 T CG2 . 18473 1 480 . 1 1 58 58 THR N N 15 121.691 . . 1 . . . . 80 T N . 18473 1 481 . 1 1 59 59 SER H H 1 9.296 . . 1 . . . . 81 S HN . 18473 1 482 . 1 1 59 59 SER HA H 1 5.658 . . 1 . . . . 81 S HA . 18473 1 483 . 1 1 59 59 SER HB2 H 1 3.68 . . 2 . . . . 81 S HB1 . 18473 1 484 . 1 1 59 59 SER CA C 13 57.74 . . 1 . . . . 81 S CA . 18473 1 485 . 1 1 59 59 SER CB C 13 65.209 . . 1 . . . . 81 S CB . 18473 1 486 . 1 1 59 59 SER N N 15 125.899 . . 1 . . . . 81 S N . 18473 1 487 . 1 1 60 60 THR H H 1 8.653 . . 1 . . . . 82 T HN . 18473 1 488 . 1 1 60 60 THR HA H 1 5.302 . . 1 . . . . 82 T HA . 18473 1 489 . 1 1 60 60 THR HB H 1 3.888 . . 1 . . . . 82 T HB . 18473 1 490 . 1 1 60 60 THR HG21 H 1 1.085 . . 1 . . . . 82 T HG21 . 18473 1 491 . 1 1 60 60 THR HG22 H 1 1.085 . . 1 . . . . 82 T HG21 . 18473 1 492 . 1 1 60 60 THR HG23 H 1 1.085 . . 1 . . . . 82 T HG21 . 18473 1 493 . 1 1 60 60 THR CA C 13 61.621 . . 1 . . . . 82 T CA . 18473 1 494 . 1 1 60 60 THR CB C 13 70.918 . . 1 . . . . 82 T CB . 18473 1 495 . 1 1 60 60 THR CG2 C 13 21.727 . . 1 . . . . 82 T CG2 . 18473 1 496 . 1 1 60 60 THR N N 15 119.772 . . 1 . . . . 82 T N . 18473 1 497 . 1 1 61 61 PHE H H 1 8.98 . . 1 . . . . 83 F HN . 18473 1 498 . 1 1 61 61 PHE CA C 13 54.35 . . 1 . . . . 83 F CA . 18473 1 499 . 1 1 61 61 PHE CB C 13 36.366 . . 1 . . . . 83 F CB . 18473 1 500 . 1 1 61 61 PHE N N 15 125.4 . . 1 . . . . 83 F N . 18473 1 501 . 1 1 64 64 LYS HA H 1 3.905 . . 1 . . . . 86 K HA . 18473 1 502 . 1 1 64 64 LYS HB2 H 1 1.884 . . 2 . . . . 86 K HB1 . 18473 1 503 . 1 1 64 64 LYS CA C 13 57.949 . . 1 . . . . 86 K CA . 18473 1 504 . 1 1 64 64 LYS CB C 13 30.791 . . 1 . . . . 86 K CB . 18473 1 505 . 1 1 64 64 LYS CG C 13 25.401 . . 1 . . . . 86 K CG . 18473 1 506 . 1 1 64 64 LYS CD C 13 29.022 . . 1 . . . . 86 K CD . 18473 1 507 . 1 1 64 64 LYS CE C 13 41.907 . . 1 . . . . 86 K CE . 18473 1 508 . 1 1 65 65 ASN H H 1 8.643 . . 1 . . . . 87 N HN . 18473 1 509 . 1 1 65 65 ASN HA H 1 4.436 . . 1 . . . . 87 N HA . 18473 1 510 . 1 1 65 65 ASN HB2 H 1 2.989 . . 2 . . . . 87 N HB1 . 18473 1 511 . 1 1 65 65 ASN HB3 H 1 2.896 . . 2 . . . . 87 N HB2 . 18473 1 512 . 1 1 65 65 ASN CA C 13 54.32 . . 1 . . . . 87 N CA . 18473 1 513 . 1 1 65 65 ASN CB C 13 38.361 . . 1 . . . . 87 N CB . 18473 1 514 . 1 1 65 65 ASN N N 15 113.859 . . 1 . . . . 87 N N . 18473 1 515 . 1 1 66 66 GLN H H 1 7.923 . . 1 . . . . 88 Q HN . 18473 1 516 . 1 1 66 66 GLN HA H 1 4.539 . . 1 . . . . 88 Q HA . 18473 1 517 . 1 1 66 66 GLN HB2 H 1 2.339 . . 2 . . . . 88 Q HB1 . 18473 1 518 . 1 1 66 66 GLN HB3 H 1 2.007 . . 2 . . . . 88 Q HB2 . 18473 1 519 . 1 1 66 66 GLN CA C 13 54.858 . . 1 . . . . 88 Q CA . 18473 1 520 . 1 1 66 66 GLN CB C 13 31.043 . . 1 . . . . 88 Q CB . 18473 1 521 . 1 1 66 66 GLN CG C 13 33.658 . . 1 . . . . 88 Q CG . 18473 1 522 . 1 1 66 66 GLN N N 15 118.634 . . 1 . . . . 88 Q N . 18473 1 523 . 1 1 67 67 ALA H H 1 8.513 . . 1 . . . . 89 A HN . 18473 1 524 . 1 1 67 67 ALA HA H 1 4.739 . . 1 . . . . 89 A HA . 18473 1 525 . 1 1 67 67 ALA HB1 H 1 1.258 . . 1 . . . . 89 A HB1 . 18473 1 526 . 1 1 67 67 ALA HB2 H 1 1.258 . . 1 . . . . 89 A HB1 . 18473 1 527 . 1 1 67 67 ALA HB3 H 1 1.258 . . 1 . . . . 89 A HB1 . 18473 1 528 . 1 1 67 67 ALA CA C 13 51.961 . . 1 . . . . 89 A CA . 18473 1 529 . 1 1 67 67 ALA CB C 13 19.645 . . 1 . . . . 89 A CB . 18473 1 530 . 1 1 67 67 ALA N N 15 126.109 . . 1 . . . . 89 A N . 18473 1 531 . 1 1 68 68 GLU H H 1 8.773 . . 1 . . . . 90 E HN . 18473 1 532 . 1 1 68 68 GLU HA H 1 4.539 . . 1 . . . . 90 E HA . 18473 1 533 . 1 1 68 68 GLU HB2 H 1 1.878 . . 2 . . . . 90 E HB1 . 18473 1 534 . 1 1 68 68 GLU HB3 H 1 1.707 . . 2 . . . . 90 E HB2 . 18473 1 535 . 1 1 68 68 GLU CA C 13 55.255 . . 1 . . . . 90 E CA . 18473 1 536 . 1 1 68 68 GLU CB C 13 32.687 . . 1 . . . . 90 E CB . 18473 1 537 . 1 1 68 68 GLU CG C 13 28.926 . . 1 . . . . 90 E CG . 18473 1 538 . 1 1 68 68 GLU N N 15 123.442 . . 1 . . . . 90 E N . 18473 1 539 . 1 1 69 69 THR H H 1 8.486 . . 1 . . . . 91 T HN . 18473 1 540 . 1 1 69 69 THR HA H 1 5.059 . . 1 . . . . 91 T HA . 18473 1 541 . 1 1 69 69 THR HB H 1 3.941 . . 1 . . . . 91 T HB . 18473 1 542 . 1 1 69 69 THR HG21 H 1 1.155 . . 1 . . . . 91 T HG21 . 18473 1 543 . 1 1 69 69 THR HG22 H 1 1.155 . . 1 . . . . 91 T HG21 . 18473 1 544 . 1 1 69 69 THR HG23 H 1 1.155 . . 1 . . . . 91 T HG21 . 18473 1 545 . 1 1 69 69 THR CA C 13 61.572 . . 1 . . . . 91 T CA . 18473 1 546 . 1 1 69 69 THR CB C 13 70.448 . . 1 . . . . 91 T CB . 18473 1 547 . 1 1 69 69 THR N N 15 118.05 . . 1 . . . . 91 T N . 18473 1 548 . 1 1 70 70 LYS H H 1 8.98 . . 1 . . . . 92 K HN . 18473 1 549 . 1 1 70 70 LYS CA C 13 54.598 . . 1 . . . . 92 K CA . 18473 1 550 . 1 1 70 70 LYS CB C 13 35.921 . . 1 . . . . 92 K CB . 18473 1 551 . 1 1 70 70 LYS N N 15 125.402 . . 1 . . . . 92 K N . 18473 1 552 . 1 1 71 71 ILE HA H 1 5.093 . . 1 . . . . 93 I HA . 18473 1 553 . 1 1 71 71 ILE HB H 1 1.66 . . 1 . . . . 93 I HB . 18473 1 554 . 1 1 71 71 ILE HG12 H 1 1.491 . . 1 . . . . 93 I HG11 . 18473 1 555 . 1 1 71 71 ILE HG13 H 1 1.158 . . 1 . . . . 93 I HG12 . 18473 1 556 . 1 1 71 71 ILE HG21 H 1 0.763 . . 2 . . . . 93 I HG21 . 18473 1 557 . 1 1 71 71 ILE HG22 H 1 0.763 . . 2 . . . . 93 I HG21 . 18473 1 558 . 1 1 71 71 ILE HG23 H 1 0.763 . . 2 . . . . 93 I HG21 . 18473 1 559 . 1 1 71 71 ILE HD11 H 1 0.796 . . 1 . . . . 93 I HD11 . 18473 1 560 . 1 1 71 71 ILE HD12 H 1 0.796 . . 1 . . . . 93 I HD11 . 18473 1 561 . 1 1 71 71 ILE HD13 H 1 0.796 . . 1 . . . . 93 I HD11 . 18473 1 562 . 1 1 71 71 ILE CA C 13 60.524 . . 1 . . . . 93 I CA . 18473 1 563 . 1 1 71 71 ILE CB C 13 40.353 . . 1 . . . . 93 I CB . 18473 1 564 . 1 1 71 71 ILE CG1 C 13 27.982 . . 2 . . . . 93 I CG1 . 18473 1 565 . 1 1 71 71 ILE CG2 C 13 17.287 . . 2 . . . . 93 I CG2 . 18473 1 566 . 1 1 71 71 ILE CD1 C 13 13.919 . . 1 . . . . 93 I CD1 . 18473 1 567 . 1 1 72 72 MET H H 1 8.979 . . 1 . . . . 94 M HN . 18473 1 568 . 1 1 72 72 MET HA H 1 4.781 . . 1 . . . . 94 M HA . 18473 1 569 . 1 1 72 72 MET HB2 H 1 1.867 . . 2 . . . . 94 M HB1 . 18473 1 570 . 1 1 72 72 MET CA C 13 54.371 . . 1 . . . . 94 M CA . 18473 1 571 . 1 1 72 72 MET CB C 13 36.786 . . 1 . . . . 94 M CB . 18473 1 572 . 1 1 72 72 MET N N 15 126.824 . . 1 . . . . 94 M N . 18473 1 573 . 1 1 73 73 VAL H H 1 8.579 . . 1 . . . . 95 V HN . 18473 1 574 . 1 1 73 73 VAL HA H 1 4.743 . . 1 . . . . 95 V HA . 18473 1 575 . 1 1 73 73 VAL HB H 1 2.015 . . 1 . . . . 95 V HB . 18473 1 576 . 1 1 73 73 VAL HG11 H 1 0.985 . . 2 . . . . 95 V HG11 . 18473 1 577 . 1 1 73 73 VAL HG12 H 1 0.985 . . 2 . . . . 95 V HG11 . 18473 1 578 . 1 1 73 73 VAL HG13 H 1 0.985 . . 2 . . . . 95 V HG11 . 18473 1 579 . 1 1 73 73 VAL HG21 H 1 0.959 . . 2 . . . . 95 V HG21 . 18473 1 580 . 1 1 73 73 VAL HG22 H 1 0.959 . . 2 . . . . 95 V HG21 . 18473 1 581 . 1 1 73 73 VAL HG23 H 1 0.959 . . 2 . . . . 95 V HG21 . 18473 1 582 . 1 1 73 73 VAL CA C 13 61.996 . . 1 . . . . 95 V CA . 18473 1 583 . 1 1 73 73 VAL CB C 13 33.624 . . 1 . . . . 95 V CB . 18473 1 584 . 1 1 73 73 VAL CG1 C 13 21.207 . . 2 . . . . 95 V CG1 . 18473 1 585 . 1 1 73 73 VAL CG2 C 13 21.207 . . 1 . . . . 95 V CG2 . 18473 1 586 . 1 1 73 73 VAL N N 15 124.47 . . 1 . . . . 95 V N . 18473 1 587 . 1 1 74 74 LEU H H 1 9.308 . . 1 . . . . 96 L HN . 18473 1 588 . 1 1 74 74 LEU HA H 1 5.097 . . 1 . . . . 96 L HA . 18473 1 589 . 1 1 74 74 LEU HB2 H 1 1.384 . . 2 . . . . 96 L HB1 . 18473 1 590 . 1 1 74 74 LEU HB3 H 1 1.155 . . 2 . . . . 96 L HB2 . 18473 1 591 . 1 1 74 74 LEU HD11 H 1 0.375 . . 4 . . . . 96 L HD11 . 18473 1 592 . 1 1 74 74 LEU HD12 H 1 0.375 . . 4 . . . . 96 L HD11 . 18473 1 593 . 1 1 74 74 LEU HD13 H 1 0.375 . . 4 . . . . 96 L HD11 . 18473 1 594 . 1 1 74 74 LEU HD21 H 1 0.502 . . 4 . . . . 96 L HD21 . 18473 1 595 . 1 1 74 74 LEU HD22 H 1 0.502 . . 4 . . . . 96 L HD21 . 18473 1 596 . 1 1 74 74 LEU HD23 H 1 0.502 . . 4 . . . . 96 L HD21 . 18473 1 597 . 1 1 74 74 LEU CA C 13 52.904 . . 1 . . . . 96 L CA . 18473 1 598 . 1 1 74 74 LEU CB C 13 42.467 . . 1 . . . . 96 L CB . 18473 1 599 . 1 1 74 74 LEU CD1 C 13 24.302 . . 1 . . . . 96 L CD1 . 18473 1 600 . 1 1 74 74 LEU CD2 C 13 24.302 . . 1 . . . . 96 L CD2 . 18473 1 601 . 1 1 74 74 LEU N N 15 128.057 . . 1 . . . . 96 L N . 18473 1 602 . 1 1 75 75 GLN H H 1 9.393 . . 1 . . . . 97 Q HN . 18473 1 603 . 1 1 75 75 GLN HA H 1 3.825 . . 1 . . . . 97 Q HA . 18473 1 604 . 1 1 75 75 GLN CA C 13 53.143 . . 1 . . . . 97 Q CA . 18473 1 605 . 1 1 75 75 GLN CB C 13 29.299 . . 1 . . . . 97 Q CB . 18473 1 606 . 1 1 75 75 GLN N N 15 125.473 . . 1 . . . . 97 Q N . 18473 1 607 . 1 1 76 76 PRO HA H 1 4.375 . . 1 . . . . 98 P HA . 18473 1 608 . 1 1 76 76 PRO HB2 H 1 2.393 . . 2 . . . . 98 P HB1 . 18473 1 609 . 1 1 76 76 PRO HB3 H 1 2.057 . . 2 . . . . 98 P HB2 . 18473 1 610 . 1 1 76 76 PRO HG2 H 1 2.236 . . 2 . . . . 98 P HG2 . 18473 1 611 . 1 1 76 76 PRO CA C 13 63.973 . . 1 . . . . 98 P CA . 18473 1 612 . 1 1 76 76 PRO CB C 13 32.284 . . 1 . . . . 98 P CB . 18473 1 613 . 1 1 76 76 PRO CG C 13 26.918 . . 1 . . . . 98 P CG . 18473 1 614 . 1 1 76 76 PRO CD C 13 50.746 . . 1 . . . . 98 P CD . 18473 1 615 . 1 1 77 77 ALA H H 1 8.071 . . 1 . . . . 99 A HN . 18473 1 616 . 1 1 77 77 ALA HA H 1 4.673 . . 1 . . . . 99 A HA . 18473 1 617 . 1 1 77 77 ALA HB1 H 1 1.098 . . 1 . . . . 99 A HB1 . 18473 1 618 . 1 1 77 77 ALA HB2 H 1 1.098 . . 1 . . . . 99 A HB1 . 18473 1 619 . 1 1 77 77 ALA HB3 H 1 1.098 . . 1 . . . . 99 A HB1 . 18473 1 620 . 1 1 77 77 ALA CA C 13 51.185 . . 1 . . . . 99 A CA . 18473 1 621 . 1 1 77 77 ALA CB C 13 20.105 . . 1 . . . . 99 A CB . 18473 1 622 . 1 1 77 77 ALA N N 15 126.806 . . 1 . . . . 99 A N . 18473 1 623 . 1 1 78 78 GLY H H 1 8.084 . . 1 . . . . 100 G HN . 18473 1 624 . 1 1 78 78 GLY HA2 H 1 4.185 . . 2 . . . . 100 G HA1 . 18473 1 625 . 1 1 78 78 GLY HA3 H 1 3.588 . . 2 . . . . 100 G HA2 . 18473 1 626 . 1 1 78 78 GLY CA C 13 46.065 . . 1 . . . . 100 G CA . 18473 1 627 . 1 1 78 78 GLY N N 15 108.855 . . 1 . . . . 100 G N . 18473 1 628 . 1 1 79 79 ALA H H 1 8.08 . . 1 . . . . 101 A HN . 18473 1 629 . 1 1 79 79 ALA HA H 1 4.623 . . 1 . . . . 101 A HA . 18473 1 630 . 1 1 79 79 ALA HB1 H 1 1.271 . . 1 . . . . 101 A HB1 . 18473 1 631 . 1 1 79 79 ALA HB2 H 1 1.271 . . 1 . . . . 101 A HB1 . 18473 1 632 . 1 1 79 79 ALA HB3 H 1 1.271 . . 1 . . . . 101 A HB1 . 18473 1 633 . 1 1 79 79 ALA CA C 13 50.32 . . 1 . . . . 101 A CA . 18473 1 634 . 1 1 79 79 ALA CB C 13 18.62 . . 1 . . . . 101 A CB . 18473 1 635 . 1 1 79 79 ALA N N 15 126.853 . . 1 . . . . 101 A N . 18473 1 636 . 1 1 80 80 PRO HA H 1 4.404 . . 1 . . . . 102 P HA . 18473 1 637 . 1 1 80 80 PRO HB2 H 1 2.533 . . 2 . . . . 102 P HB1 . 18473 1 638 . 1 1 80 80 PRO HB3 H 1 2.161 . . 2 . . . . 102 P HB2 . 18473 1 639 . 1 1 80 80 PRO HG2 H 1 2.057 . . 2 . . . . 102 P HG1 . 18473 1 640 . 1 1 80 80 PRO HG3 H 1 1.943 . . 2 . . . . 102 P HG2 . 18473 1 641 . 1 1 80 80 PRO HD2 H 1 3.642 . . 2 . . . . 102 P HD1 . 18473 1 642 . 1 1 80 80 PRO CA C 13 63.76 . . 1 . . . . 102 P CA . 18473 1 643 . 1 1 80 80 PRO CB C 13 32.095 . . 1 . . . . 102 P CB . 18473 1 644 . 1 1 80 80 PRO CG C 13 27.928 . . 1 . . . . 102 P CG . 18473 1 645 . 1 1 80 80 PRO CD C 13 50.584 . . 1 . . . . 102 P CD . 18473 1 646 . 1 1 81 81 GLY H H 1 8.129 . . 1 . . . . 103 G HN . 18473 1 647 . 1 1 81 81 GLY HA2 H 1 3.6 . . 2 . . . . 103 G HA1 . 18473 1 648 . 1 1 81 81 GLY HA3 H 1 2.352 . . 2 . . . . 103 G HA2 . 18473 1 649 . 1 1 81 81 GLY CA C 13 44.721 . . 1 . . . . 103 G CA . 18473 1 650 . 1 1 81 81 GLY N N 15 111.317 . . 1 . . . . 103 G N . 18473 1 651 . 1 1 82 82 HIS H H 1 7.553 . . 1 . . . . 104 H HN . 18473 1 652 . 1 1 82 82 HIS HA H 1 5.228 . . 1 . . . . 104 H HA . 18473 1 653 . 1 1 82 82 HIS HB2 H 1 3.078 . . 2 . . . . 104 H HB1 . 18473 1 654 . 1 1 82 82 HIS HB3 H 1 2.743 . . 2 . . . . 104 H HB2 . 18473 1 655 . 1 1 82 82 HIS HD2 H 1 6.933 . . 3 . . . . 104 H HD2 . 18473 1 656 . 1 1 82 82 HIS CA C 13 54.848 . . 1 . . . . 104 H CA . 18473 1 657 . 1 1 82 82 HIS CB C 13 31.858 . . 1 . . . . 104 H CB . 18473 1 658 . 1 1 82 82 HIS N N 15 118.16 . . 1 . . . . 104 H N . 18473 1 659 . 1 1 83 83 TYR H H 1 9.204 . . 1 . . . . 105 Y HN . 18473 1 660 . 1 1 83 83 TYR HA H 1 5.446 . . 1 . . . . 105 Y HA . 18473 1 661 . 1 1 83 83 TYR HB2 H 1 3.097 . . 2 . . . . 105 Y HB1 . 18473 1 662 . 1 1 83 83 TYR HB3 H 1 2.41 . . 2 . . . . 105 Y HB2 . 18473 1 663 . 1 1 83 83 TYR HD1 H 1 6.595 . . 3 . . . . 105 Y HD1 . 18473 1 664 . 1 1 83 83 TYR HD2 H 1 6.595 . . 3 . . . . 105 Y HD2 . 18473 1 665 . 1 1 83 83 TYR HE1 H 1 6.352 . . 3 . . . . 105 Y HE1 . 18473 1 666 . 1 1 83 83 TYR HE2 H 1 6.352 . . 3 . . . . 105 Y HE2 . 18473 1 667 . 1 1 83 83 TYR CA C 13 56.881 . . 1 . . . . 105 Y CA . 18473 1 668 . 1 1 83 83 TYR CB C 13 44.526 . . 1 . . . . 105 Y CB . 18473 1 669 . 1 1 83 83 TYR N N 15 122.718 . . 1 . . . . 105 Y N . 18473 1 670 . 1 1 84 84 THR H H 1 9.414 . . 1 . . . . 106 T HN . 18473 1 671 . 1 1 84 84 THR HA H 1 5.52 . . 1 . . . . 106 T HA . 18473 1 672 . 1 1 84 84 THR HB H 1 4.116 . . 1 . . . . 106 T HB . 18473 1 673 . 1 1 84 84 THR HG21 H 1 1.078 . . 1 . . . . 106 T HG21 . 18473 1 674 . 1 1 84 84 THR HG22 H 1 1.078 . . 1 . . . . 106 T HG21 . 18473 1 675 . 1 1 84 84 THR HG23 H 1 1.078 . . 1 . . . . 106 T HG21 . 18473 1 676 . 1 1 84 84 THR CA C 13 60.14 . . 1 . . . . 106 T CA . 18473 1 677 . 1 1 84 84 THR CB C 13 72.457 . . 1 . . . . 106 T CB . 18473 1 678 . 1 1 84 84 THR CG2 C 13 21.51 . . 1 . . . . 106 T CG2 . 18473 1 679 . 1 1 84 84 THR N N 15 111.503 . . 1 . . . . 106 T N . 18473 1 680 . 1 1 85 85 TYR H H 1 8.653 . . 1 . . . . 107 Y HN . 18473 1 681 . 1 1 85 85 TYR HA H 1 5.113 . . 1 . . . . 107 Y HA . 18473 1 682 . 1 1 85 85 TYR HB2 H 1 2.915 . . 2 . . . . 107 Y HB1 . 18473 1 683 . 1 1 85 85 TYR HD1 H 1 6.741 . . 3 . . . . 107 Y HD1 . 18473 1 684 . 1 1 85 85 TYR HD2 H 1 6.741 . . 3 . . . . 107 Y HD2 . 18473 1 685 . 1 1 85 85 TYR CA C 13 56.401 . . 1 . . . . 107 Y CA . 18473 1 686 . 1 1 85 85 TYR CB C 13 41.426 . . 1 . . . . 107 Y CB . 18473 1 687 . 1 1 85 85 TYR N N 15 117.531 . . 1 . . . . 107 Y N . 18473 1 688 . 1 1 86 86 SER HA H 1 4.54 . . 1 . . . . 108 S HA . 18473 1 689 . 1 1 86 86 SER HB2 H 1 3.539 . . 2 . . . . 108 S HB1 . 18473 1 690 . 1 1 86 86 SER CA C 13 56.095 . . 1 . . . . 108 S CA . 18473 1 691 . 1 1 86 86 SER CB C 13 63.172 . . 1 . . . . 108 S CB . 18473 1 692 . 1 1 87 87 SER H H 1 8.404 . . 1 . . . . 109 S HN . 18473 1 693 . 1 1 87 87 SER HA H 1 4.344 . . 1 . . . . 109 S HA . 18473 1 694 . 1 1 87 87 SER HB2 H 1 3.65 . . 2 . . . . 109 S HB1 . 18473 1 695 . 1 1 87 87 SER HB3 H 1 3.293 . . 2 . . . . 109 S HB2 . 18473 1 696 . 1 1 87 87 SER CA C 13 55.352 . . 1 . . . . 109 S CA . 18473 1 697 . 1 1 87 87 SER CB C 13 63.211 . . 1 . . . . 109 S CB . 18473 1 698 . 1 1 87 87 SER N N 15 121.245 . . 1 . . . . 109 S N . 18473 1 699 . 1 1 88 88 PRO HA H 1 4.37 . . 1 . . . . 110 P HA . 18473 1 700 . 1 1 88 88 PRO HB2 H 1 2.235 . . 2 . . . . 110 P HB1 . 18473 1 701 . 1 1 88 88 PRO HB3 H 1 1.661 . . 2 . . . . 110 P HB2 . 18473 1 702 . 1 1 88 88 PRO CA C 13 60.447 . . 1 . . . . 110 P CA . 18473 1 703 . 1 1 88 88 PRO CB C 13 29.237 . . 1 . . . . 110 P CB . 18473 1 704 . 1 1 89 89 HIS H H 1 7.904 . . 1 . . . . 111 H HN . 18473 1 705 . 1 1 89 89 HIS N N 15 115.799 . . 1 . . . . 111 H N . 18473 1 706 . 1 1 90 90 SER HA H 1 4.485 . . 1 . . . . 112 S HA . 18473 1 707 . 1 1 90 90 SER HB2 H 1 4.008 . . 2 . . . . 112 S HB1 . 18473 1 708 . 1 1 90 90 SER HB3 H 1 3.746 . . 2 . . . . 112 S HB2 . 18473 1 709 . 1 1 90 90 SER CA C 13 57.944 . . 1 . . . . 112 S CA . 18473 1 710 . 1 1 90 90 SER CB C 13 65.553 . . 1 . . . . 112 S CB . 18473 1 711 . 1 1 91 91 GLY H H 1 8.006 . . 1 . . . . 113 G HN . 18473 1 712 . 1 1 91 91 GLY HA2 H 1 4.076 . . 2 . . . . 113 G HA1 . 18473 1 713 . 1 1 91 91 GLY HA3 H 1 3.76 . . 2 . . . . 113 G HA2 . 18473 1 714 . 1 1 91 91 GLY CA C 13 45.916 . . 1 . . . . 113 G CA . 18473 1 715 . 1 1 91 91 GLY N N 15 111.317 . . 1 . . . . 113 G N . 18473 1 716 . 1 1 92 92 SER H H 1 7.692 . . 1 . . . . 114 S HN . 18473 1 717 . 1 1 92 92 SER HA H 1 4.45 . . 1 . . . . 114 S HA . 18473 1 718 . 1 1 92 92 SER HB2 H 1 3.698 . . 2 . . . . 114 S HB1 . 18473 1 719 . 1 1 92 92 SER HB3 H 1 3.545 . . 2 . . . . 114 S HB2 . 18473 1 720 . 1 1 92 92 SER CA C 13 58.519 . . 1 . . . . 114 S CA . 18473 1 721 . 1 1 92 92 SER CB C 13 64.772 . . 1 . . . . 114 S CB . 18473 1 722 . 1 1 92 92 SER N N 15 115.617 . . 1 . . . . 114 S N . 18473 1 723 . 1 1 93 93 ILE H H 1 8.385 . . 1 . . . . 115 I HN . 18473 1 724 . 1 1 93 93 ILE HA H 1 4.486 . . 1 . . . . 115 I HA . 18473 1 725 . 1 1 93 93 ILE HB H 1 1.731 . . 1 . . . . 115 I HB . 18473 1 726 . 1 1 93 93 ILE HG21 H 1 0.779 . . 2 . . . . 115 I HG21 . 18473 1 727 . 1 1 93 93 ILE HG22 H 1 0.779 . . 2 . . . . 115 I HG21 . 18473 1 728 . 1 1 93 93 ILE HG23 H 1 0.779 . . 2 . . . . 115 I HG21 . 18473 1 729 . 1 1 93 93 ILE HD11 H 1 0.865 . . 1 . . . . 115 I HD11 . 18473 1 730 . 1 1 93 93 ILE HD12 H 1 0.865 . . 1 . . . . 115 I HD11 . 18473 1 731 . 1 1 93 93 ILE HD13 H 1 0.865 . . 1 . . . . 115 I HD11 . 18473 1 732 . 1 1 93 93 ILE CA C 13 60.084 . . 1 . . . . 115 I CA . 18473 1 733 . 1 1 93 93 ILE CB C 13 37.813 . . 1 . . . . 115 I CB . 18473 1 734 . 1 1 93 93 ILE CG1 C 13 27.398 . . 2 . . . . 115 I CG1 . 18473 1 735 . 1 1 93 93 ILE CG2 C 13 17.076 . . 2 . . . . 115 I CG2 . 18473 1 736 . 1 1 93 93 ILE CD1 C 13 11.871 . . 1 . . . . 115 I CD1 . 18473 1 737 . 1 1 93 93 ILE N N 15 122.907 . . 1 . . . . 115 I N . 18473 1 738 . 1 1 94 94 HIS H H 1 9.031 . . 1 . . . . 116 H HN . 18473 1 739 . 1 1 94 94 HIS HA H 1 5.269 . . 1 . . . . 116 H HA . 18473 1 740 . 1 1 94 94 HIS HB2 H 1 2.759 . . 2 . . . . 116 H HB1 . 18473 1 741 . 1 1 94 94 HIS HD2 H 1 6.519 . . 3 . . . . 116 H HD2 . 18473 1 742 . 1 1 94 94 HIS CA C 13 52.815 . . 1 . . . . 116 H CA . 18473 1 743 . 1 1 94 94 HIS CB C 13 33.675 . . 1 . . . . 116 H CB . 18473 1 744 . 1 1 94 94 HIS N N 15 128.488 . . 1 . . . . 116 H N . 18473 1 745 . 1 1 95 95 SER H H 1 8.994 . . 1 . . . . 117 S HN . 18473 1 746 . 1 1 95 95 SER HA H 1 5.167 . . 1 . . . . 117 S HA . 18473 1 747 . 1 1 95 95 SER HB2 H 1 3.884 . . 2 . . . . 117 S HB1 . 18473 1 748 . 1 1 95 95 SER HB3 H 1 3.839 . . 2 . . . . 117 S HB2 . 18473 1 749 . 1 1 95 95 SER CA C 13 56.975 . . 1 . . . . 117 S CA . 18473 1 750 . 1 1 95 95 SER CB C 13 64.816 . . 1 . . . . 117 S CB . 18473 1 751 . 1 1 95 95 SER N N 15 115.768 . . 1 . . . . 117 S N . 18473 1 752 . 1 1 96 96 VAL H H 1 9.256 . . 1 . . . . 118 V HN . 18473 1 753 . 1 1 96 96 VAL HA H 1 5.218 . . 1 . . . . 118 V HA . 18473 1 754 . 1 1 96 96 VAL HB H 1 2.066 . . 1 . . . . 118 V HB . 18473 1 755 . 1 1 96 96 VAL HG11 H 1 0.886 . . 4 . . . . 118 V HG11 . 18473 1 756 . 1 1 96 96 VAL HG12 H 1 0.886 . . 4 . . . . 118 V HG11 . 18473 1 757 . 1 1 96 96 VAL HG13 H 1 0.886 . . 4 . . . . 118 V HG11 . 18473 1 758 . 1 1 96 96 VAL HG21 H 1 0.843 . . 4 . . . . 118 V HG21 . 18473 1 759 . 1 1 96 96 VAL HG22 H 1 0.843 . . 4 . . . . 118 V HG21 . 18473 1 760 . 1 1 96 96 VAL HG23 H 1 0.843 . . 4 . . . . 118 V HG21 . 18473 1 761 . 1 1 96 96 VAL CA C 13 60.508 . . 1 . . . . 118 V CA . 18473 1 762 . 1 1 96 96 VAL CB C 13 35.167 . . 1 . . . . 118 V CB . 18473 1 763 . 1 1 96 96 VAL CG1 C 13 21.731 . . 2 . . . . 118 V CG1 . 18473 1 764 . 1 1 96 96 VAL CG2 C 13 20.677 . . 1 . . . . 118 V CG2 . 18473 1 765 . 1 1 96 96 VAL N N 15 125.004 . . 1 . . . . 118 V N . 18473 1 766 . 1 1 97 97 SER H H 1 8.879 . . 1 . . . . 119 S HN . 18473 1 767 . 1 1 97 97 SER HA H 1 5.628 . . 1 . . . . 119 S HA . 18473 1 768 . 1 1 97 97 SER HB2 H 1 3.709 . . 2 . . . . 119 S HB1 . 18473 1 769 . 1 1 97 97 SER HB3 H 1 3.612 . . 2 . . . . 119 S HB2 . 18473 1 770 . 1 1 97 97 SER CA C 13 56.314 . . 1 . . . . 119 S CA . 18473 1 771 . 1 1 97 97 SER CB C 13 65.709 . . 1 . . . . 119 S CB . 18473 1 772 . 1 1 97 97 SER N N 15 121.425 . . 1 . . . . 119 S N . 18473 1 773 . 1 1 98 98 VAL H H 1 8.379 . . 1 . . . . 120 V HN . 18473 1 774 . 1 1 98 98 VAL HA H 1 3.969 . . 1 . . . . 120 V HA . 18473 1 775 . 1 1 98 98 VAL HB H 1 1.369 . . 1 . . . . 120 V HB . 18473 1 776 . 1 1 98 98 VAL HG11 H 1 0.433 . . 4 . . . . 120 V HG11 . 18473 1 777 . 1 1 98 98 VAL HG12 H 1 0.433 . . 4 . . . . 120 V HG11 . 18473 1 778 . 1 1 98 98 VAL HG13 H 1 0.433 . . 4 . . . . 120 V HG11 . 18473 1 779 . 1 1 98 98 VAL HG21 H 1 0.149 . . 4 . . . . 120 V HG21 . 18473 1 780 . 1 1 98 98 VAL HG22 H 1 0.149 . . 4 . . . . 120 V HG21 . 18473 1 781 . 1 1 98 98 VAL HG23 H 1 0.149 . . 4 . . . . 120 V HG21 . 18473 1 782 . 1 1 98 98 VAL CA C 13 62.331 . . 1 . . . . 120 V CA . 18473 1 783 . 1 1 98 98 VAL CB C 13 29.322 . . 1 . . . . 120 V CB . 18473 1 784 . 1 1 98 98 VAL CG1 C 13 21.577 . . 2 . . . . 120 V CG1 . 18473 1 785 . 1 1 98 98 VAL CG2 C 13 18.605 . . 1 . . . . 120 V CG2 . 18473 1 786 . 1 1 98 98 VAL N N 15 124.551 . . 1 . . . . 120 V N . 18473 1 787 . 1 1 99 99 VAL H H 1 8.355 . . 1 . . . . 121 V HN . 18473 1 788 . 1 1 99 99 VAL HA H 1 3.703 . . 1 . . . . 121 V HA . 18473 1 789 . 1 1 99 99 VAL HB H 1 1.653 . . 1 . . . . 121 V HB . 18473 1 790 . 1 1 99 99 VAL HG11 H 1 0.933 . . 4 . . . . 121 V HG11 . 18473 1 791 . 1 1 99 99 VAL HG12 H 1 0.933 . . 4 . . . . 121 V HG11 . 18473 1 792 . 1 1 99 99 VAL HG13 H 1 0.933 . . 4 . . . . 121 V HG11 . 18473 1 793 . 1 1 99 99 VAL HG21 H 1 0.851 . . 4 . . . . 121 V HG21 . 18473 1 794 . 1 1 99 99 VAL HG22 H 1 0.851 . . 4 . . . . 121 V HG21 . 18473 1 795 . 1 1 99 99 VAL HG23 H 1 0.851 . . 4 . . . . 121 V HG21 . 18473 1 796 . 1 1 99 99 VAL CA C 13 65.221 . . 1 . . . . 121 V CA . 18473 1 797 . 1 1 99 99 VAL CB C 13 32.595 . . 1 . . . . 121 V CB . 18473 1 798 . 1 1 99 99 VAL CG1 C 13 22.231 . . 1 . . . . 121 V CG1 . 18473 1 799 . 1 1 99 99 VAL CG2 C 13 21.402 . . 1 . . . . 121 V CG2 . 18473 1 800 . 1 1 99 99 VAL N N 15 129.084 . . 1 . . . . 121 V N . 18473 1 801 . 1 1 100 100 GLU H H 1 7.221 . . 1 . . . . 122 E HN . 18473 1 802 . 1 1 100 100 GLU HA H 1 4.763 . . 1 . . . . 122 E HA . 18473 1 803 . 1 1 100 100 GLU HB2 H 1 1.974 . . 2 . . . . 122 E HB1 . 18473 1 804 . 1 1 100 100 GLU HB3 H 1 1.847 . . 2 . . . . 122 E HB2 . 18473 1 805 . 1 1 100 100 GLU HG2 H 1 2.314 . . 2 . . . . 122 E HG1 . 18473 1 806 . 1 1 100 100 GLU HG3 H 1 2.103 . . 2 . . . . 122 E HG2 . 18473 1 807 . 1 1 100 100 GLU CA C 13 54.864 . . 1 . . . . 122 E CA . 18473 1 808 . 1 1 100 100 GLU CB C 13 34.164 . . 1 . . . . 122 E CB . 18473 1 809 . 1 1 100 100 GLU CG C 13 36.748 . . 1 . . . . 122 E CG . 18473 1 810 . 1 1 100 100 GLU N N 15 113.89 . . 1 . . . . 122 E N . 18473 1 811 . 1 1 101 101 ALA H H 1 8.714 . . 1 . . . . 123 A HN . 18473 1 812 . 1 1 101 101 ALA HA H 1 4.358 . . 1 . . . . 123 A HA . 18473 1 813 . 1 1 101 101 ALA HB1 H 1 0.925 . . 1 . . . . 123 A HB1 . 18473 1 814 . 1 1 101 101 ALA HB2 H 1 0.925 . . 1 . . . . 123 A HB1 . 18473 1 815 . 1 1 101 101 ALA HB3 H 1 0.925 . . 1 . . . . 123 A HB1 . 18473 1 816 . 1 1 101 101 ALA CA C 13 52.238 . . 1 . . . . 123 A CA . 18473 1 817 . 1 1 101 101 ALA CB C 13 21.63 . . 1 . . . . 123 A CB . 18473 1 818 . 1 1 101 101 ALA N N 15 124.458 . . 1 . . . . 123 A N . 18473 1 819 . 1 1 103 103 TYR H H 1 8.976 . . 1 . . . . 125 Y HN . 18473 1 820 . 1 1 103 103 TYR HA H 1 5.038 . . 1 . . . . 125 Y HA . 18473 1 821 . 1 1 103 103 TYR HB2 H 1 3.122 . . 2 . . . . 125 Y HB1 . 18473 1 822 . 1 1 103 103 TYR HD1 H 1 7.148 . . 3 . . . . 125 Y HD1 . 18473 1 823 . 1 1 103 103 TYR HD2 H 1 7.148 . . 3 . . . . 125 Y HD2 . 18473 1 824 . 1 1 103 103 TYR CA C 13 56.156 . . 1 . . . . 125 Y CA . 18473 1 825 . 1 1 103 103 TYR CB C 13 40.991 . . 1 . . . . 125 Y CB . 18473 1 826 . 1 1 103 103 TYR N N 15 125.383 . . 1 . . . . 125 Y N . 18473 1 827 . 1 1 104 104 ASP H H 1 8.553 . . 1 . . . . 126 D HN . 18473 1 828 . 1 1 104 104 ASP HA H 1 4.906 . . 1 . . . . 126 D HA . 18473 1 829 . 1 1 104 104 ASP HB2 H 1 1.709 . . 2 . . . . 126 D HB1 . 18473 1 830 . 1 1 104 104 ASP HB3 H 1 1.384 . . 2 . . . . 126 D HB2 . 18473 1 831 . 1 1 104 104 ASP CA C 13 54.489 . . 1 . . . . 126 D CA . 18473 1 832 . 1 1 104 104 ASP CB C 13 43.174 . . 1 . . . . 126 D CB . 18473 1 833 . 1 1 104 104 ASP N N 15 122.499 . . 1 . . . . 126 D N . 18473 1 834 . 1 1 105 105 GLU H H 1 8.528 . . 1 . . . . 127 E HN . 18473 1 835 . 1 1 105 105 GLU CA C 13 55.631 . . 1 . . . . 127 E CA . 18473 1 836 . 1 1 105 105 GLU CB C 13 32.278 . . 1 . . . . 127 E CB . 18473 1 837 . 1 1 105 105 GLU N N 15 123.721 . . 1 . . . . 127 E N . 18473 1 838 . 1 1 106 106 TYR HA H 1 4.072 . . 1 . . . . 128 Y HA . 18473 1 839 . 1 1 106 106 TYR HB2 H 1 3.25 . . 2 . . . . 128 Y HB1 . 18473 1 840 . 1 1 106 106 TYR HD1 H 1 6.922 . . 3 . . . . 128 Y HD1 . 18473 1 841 . 1 1 106 106 TYR HD2 H 1 6.922 . . 3 . . . . 128 Y HD2 . 18473 1 842 . 1 1 107 107 ALA H H 1 8.983 . . 1 . . . . 129 A HN . 18473 1 843 . 1 1 107 107 ALA HA H 1 4.726 . . 1 . . . . 129 A HA . 18473 1 844 . 1 1 107 107 ALA HB1 H 1 0.93 . . 1 . . . . 129 A HB1 . 18473 1 845 . 1 1 107 107 ALA HB2 H 1 0.93 . . 1 . . . . 129 A HB1 . 18473 1 846 . 1 1 107 107 ALA HB3 H 1 0.93 . . 1 . . . . 129 A HB1 . 18473 1 847 . 1 1 107 107 ALA CA C 13 51.642 . . 1 . . . . 129 A CA . 18473 1 848 . 1 1 107 107 ALA CB C 13 22.742 . . 1 . . . . 129 A CB . 18473 1 849 . 1 1 107 107 ALA N N 15 120.097 . . 1 . . . . 129 A N . 18473 1 850 . 1 1 108 108 LEU H H 1 8.931 . . 1 . . . . 130 L HN . 18473 1 851 . 1 1 108 108 LEU HA H 1 5.207 . . 1 . . . . 130 L HA . 18473 1 852 . 1 1 108 108 LEU HB2 H 1 1.249 . . 2 . . . . 130 L HB1 . 18473 1 853 . 1 1 108 108 LEU HB3 H 1 1.109 . . 2 . . . . 130 L HB2 . 18473 1 854 . 1 1 108 108 LEU HG H 1 1.377 . . 1 . . . . 130 L HG . 18473 1 855 . 1 1 108 108 LEU HD11 H 1 0.688 . . 4 . . . . 130 L HD11 . 18473 1 856 . 1 1 108 108 LEU HD12 H 1 0.688 . . 4 . . . . 130 L HD11 . 18473 1 857 . 1 1 108 108 LEU HD13 H 1 0.688 . . 4 . . . . 130 L HD11 . 18473 1 858 . 1 1 108 108 LEU HD21 H 1 0.505 . . 4 . . . . 130 L HD21 . 18473 1 859 . 1 1 108 108 LEU HD22 H 1 0.505 . . 4 . . . . 130 L HD21 . 18473 1 860 . 1 1 108 108 LEU HD23 H 1 0.505 . . 4 . . . . 130 L HD21 . 18473 1 861 . 1 1 108 108 LEU CA C 13 53.808 . . 1 . . . . 130 L CA . 18473 1 862 . 1 1 108 108 LEU CB C 13 44.416 . . 1 . . . . 130 L CB . 18473 1 863 . 1 1 108 108 LEU CG C 13 27.928 . . 1 . . . . 130 L CG . 18473 1 864 . 1 1 108 108 LEU CD1 C 13 24.871 . . 2 . . . . 130 L CD1 . 18473 1 865 . 1 1 108 108 LEU CD2 C 13 24.871 . . 1 . . . . 130 L CD2 . 18473 1 866 . 1 1 108 108 LEU N N 15 123.011 . . 1 . . . . 130 L N . 18473 1 867 . 1 1 109 109 LEU H H 1 9.238 . . 1 . . . . 131 L HN . 18473 1 868 . 1 1 109 109 LEU HA H 1 5.386 . . 1 . . . . 131 L HA . 18473 1 869 . 1 1 109 109 LEU HB2 H 1 1.444 . . 2 . . . . 131 L HB1 . 18473 1 870 . 1 1 109 109 LEU HD11 H 1 0.425 . . 2 . . . . 131 L HD11 . 18473 1 871 . 1 1 109 109 LEU HD12 H 1 0.425 . . 2 . . . . 131 L HD11 . 18473 1 872 . 1 1 109 109 LEU HD13 H 1 0.425 . . 2 . . . . 131 L HD11 . 18473 1 873 . 1 1 109 109 LEU HD21 H 1 0.372 . . 2 . . . . 131 L HD21 . 18473 1 874 . 1 1 109 109 LEU HD22 H 1 0.372 . . 2 . . . . 131 L HD21 . 18473 1 875 . 1 1 109 109 LEU HD23 H 1 0.372 . . 2 . . . . 131 L HD21 . 18473 1 876 . 1 1 109 109 LEU CA C 13 54.332 . . 1 . . . . 131 L CA . 18473 1 877 . 1 1 109 109 LEU CB C 13 44.512 . . 1 . . . . 131 L CB . 18473 1 878 . 1 1 109 109 LEU CD1 C 13 25.856 . . 1 . . . . 131 L CD1 . 18473 1 879 . 1 1 109 109 LEU CD2 C 13 24.302 . . 1 . . . . 131 L CD2 . 18473 1 880 . 1 1 109 109 LEU N N 15 126.253 . . 1 . . . . 131 L N . 18473 1 881 . 1 1 110 110 PHE H H 1 9.025 . . 1 . . . . 132 F HN . 18473 1 882 . 1 1 110 110 PHE HA H 1 5.685 . . 1 . . . . 132 F HA . 18473 1 883 . 1 1 110 110 PHE HB2 H 1 3.09 . . 2 . . . . 132 F HB1 . 18473 1 884 . 1 1 110 110 PHE HB3 H 1 2.988 . . 2 . . . . 132 F HB2 . 18473 1 885 . 1 1 110 110 PHE HD1 H 1 7.25 . . 3 . . . . 132 F HD1 . 18473 1 886 . 1 1 110 110 PHE HD2 H 1 7.25 . . 3 . . . . 132 F HD2 . 18473 1 887 . 1 1 110 110 PHE HE2 H 1 6.681 . . 3 . . . . 132 F HE2 . 18473 1 888 . 1 1 110 110 PHE CA C 13 56.227 . . 1 . . . . 132 F CA . 18473 1 889 . 1 1 110 110 PHE CB C 13 43.317 . . 1 . . . . 132 F CB . 18473 1 890 . 1 1 110 110 PHE N N 15 120.248 . . 1 . . . . 132 F N . 18473 1 891 . 1 1 111 111 SER H H 1 9.2 . . 1 . . . . 133 S HN . 18473 1 892 . 1 1 111 111 SER HA H 1 5.719 . . 1 . . . . 133 S HA . 18473 1 893 . 1 1 111 111 SER HB2 H 1 3.719 . . 2 . . . . 133 S HB1 . 18473 1 894 . 1 1 111 111 SER CA C 13 55.917 . . 1 . . . . 133 S CA . 18473 1 895 . 1 1 111 111 SER CB C 13 65.941 . . 1 . . . . 133 S CB . 18473 1 896 . 1 1 111 111 SER N N 15 125.589 . . 1 . . . . 133 S N . 18473 1 897 . 1 1 112 112 ARG H H 1 8.532 . . 1 . . . . 134 R HN . 18473 1 898 . 1 1 112 112 ARG HA H 1 5.074 . . 1 . . . . 134 R HA . 18473 1 899 . 1 1 112 112 ARG HB2 H 1 1.745 . . 2 . . . . 134 R HB1 . 18473 1 900 . 1 1 112 112 ARG CA C 13 53.371 . . 1 . . . . 134 R CA . 18473 1 901 . 1 1 112 112 ARG CB C 13 34.165 . . 1 . . . . 134 R CB . 18473 1 902 . 1 1 112 112 ARG CG C 13 26.404 . . 1 . . . . 134 R CG . 18473 1 903 . 1 1 112 112 ARG CD C 13 43.491 . . 1 . . . . 134 R CD . 18473 1 904 . 1 1 112 112 ARG N N 15 120.097 . . 1 . . . . 134 R N . 18473 1 905 . 1 1 113 113 GLY H H 1 8.056 . . 1 . . . . 135 G HN . 18473 1 906 . 1 1 113 113 GLY HA2 H 1 4.381 . . 2 . . . . 135 G HA1 . 18473 1 907 . 1 1 113 113 GLY HA3 H 1 4.07 . . 2 . . . . 135 G HA2 . 18473 1 908 . 1 1 113 113 GLY CA C 13 45.266 . . 1 . . . . 135 G CA . 18473 1 909 . 1 1 113 113 GLY N N 15 108.111 . . 1 . . . . 135 G N . 18473 1 910 . 1 1 114 114 THR H H 1 8.488 . . 1 . . . . 136 T HN . 18473 1 911 . 1 1 114 114 THR HA H 1 4.658 . . 1 . . . . 136 T HA . 18473 1 912 . 1 1 114 114 THR HB H 1 4.244 . . 1 . . . . 136 T HB . 18473 1 913 . 1 1 114 114 THR HG21 H 1 1.205 . . 1 . . . . 136 T HG21 . 18473 1 914 . 1 1 114 114 THR HG22 H 1 1.205 . . 1 . . . . 136 T HG21 . 18473 1 915 . 1 1 114 114 THR HG23 H 1 1.205 . . 1 . . . . 136 T HG21 . 18473 1 916 . 1 1 114 114 THR CA C 13 61.119 . . 1 . . . . 136 T CA . 18473 1 917 . 1 1 114 114 THR CB C 13 70.867 . . 1 . . . . 136 T CB . 18473 1 918 . 1 1 114 114 THR CG2 C 13 21.709 . . 1 . . . . 136 T CG2 . 18473 1 919 . 1 1 114 114 THR N N 15 112.23 . . 1 . . . . 136 T N . 18473 1 920 . 1 1 115 115 LYS H H 1 8.128 . . 1 . . . . 137 K HN . 18473 1 921 . 1 1 115 115 LYS HA H 1 4.43 . . 1 . . . . 137 K HA . 18473 1 922 . 1 1 115 115 LYS HB2 H 1 1.81 . . 2 . . . . 137 K HB1 . 18473 1 923 . 1 1 115 115 LYS HD2 H 1 1.69 . . 2 . . . . 137 K HD1 . 18473 1 924 . 1 1 115 115 LYS HE2 H 1 2.972 . . 2 . . . . 137 K HE1 . 18473 1 925 . 1 1 115 115 LYS CA C 13 56.412 . . 1 . . . . 137 K CA . 18473 1 926 . 1 1 115 115 LYS CB C 13 34.085 . . 1 . . . . 137 K CB . 18473 1 927 . 1 1 115 115 LYS CD C 13 29.428 . . 1 . . . . 137 K CD . 18473 1 928 . 1 1 115 115 LYS N N 15 121.279 . . 1 . . . . 137 K N . 18473 1 929 . 1 1 116 116 GLY H H 1 8.52 . . 1 . . . . 138 G HN . 18473 1 930 . 1 1 116 116 GLY HA2 H 1 3.856 . . 2 . . . . 138 G HA1 . 18473 1 931 . 1 1 116 116 GLY HA3 H 1 4.539 . . 2 . . . . 138 G HA2 . 18473 1 932 . 1 1 116 116 GLY CA C 13 44.54 . . 1 . . . . 138 G CA . 18473 1 933 . 1 1 116 116 GLY N N 15 112.462 . . 1 . . . . 138 G N . 18473 1 934 . 1 1 117 117 PRO HA H 1 4.397 . . 1 . . . . 139 P HA . 18473 1 935 . 1 1 117 117 PRO HB2 H 1 2.363 . . 2 . . . . 139 P HB1 . 18473 1 936 . 1 1 117 117 PRO HB3 H 1 1.951 . . 2 . . . . 139 P HB2 . 18473 1 937 . 1 1 117 117 PRO CA C 13 64.14 . . 1 . . . . 139 P CA . 18473 1 938 . 1 1 117 117 PRO CB C 13 32.051 . . 1 . . . . 139 P CB . 18473 1 939 . 1 1 117 117 PRO CG C 13 27.41 . . 1 . . . . 139 P CG . 18473 1 940 . 1 1 117 117 PRO CD C 13 49.941 . . 1 . . . . 139 P CD . 18473 1 941 . 1 1 118 118 GLY H H 1 8.772 . . 1 . . . . 140 G HN . 18473 1 942 . 1 1 118 118 GLY HA2 H 1 4.238 . . 2 . . . . 140 G HA1 . 18473 1 943 . 1 1 118 118 GLY HA3 H 1 3.966 . . 2 . . . . 140 G HA2 . 18473 1 944 . 1 1 118 118 GLY CA C 13 46.035 . . 1 . . . . 140 G CA . 18473 1 945 . 1 1 118 118 GLY N N 15 109.785 . . 1 . . . . 140 G N . 18473 1 946 . 1 1 119 119 GLN H H 1 7.908 . . 1 . . . . 141 Q HN . 18473 1 947 . 1 1 119 119 GLN HA H 1 4.011 . . 1 . . . . 141 Q HA . 18473 1 948 . 1 1 119 119 GLN HB2 H 1 2.241 . . 2 . . . . 141 Q HB1 . 18473 1 949 . 1 1 119 119 GLN HB3 H 1 2.031 . . 2 . . . . 141 Q HB2 . 18473 1 950 . 1 1 119 119 GLN CA C 13 57.733 . . 1 . . . . 141 Q CA . 18473 1 951 . 1 1 119 119 GLN CB C 13 29.133 . . 1 . . . . 141 Q CB . 18473 1 952 . 1 1 119 119 GLN N N 15 119.393 . . 1 . . . . 141 Q N . 18473 1 953 . 1 1 120 120 ASP H H 1 8.479 . . 1 . . . . 142 D HN . 18473 1 954 . 1 1 120 120 ASP HA H 1 4.643 . . 1 . . . . 142 D HA . 18473 1 955 . 1 1 120 120 ASP HB2 H 1 2.736 . . 2 . . . . 142 D HB1 . 18473 1 956 . 1 1 120 120 ASP HB3 H 1 2.604 . . 2 . . . . 142 D HB2 . 18473 1 957 . 1 1 120 120 ASP CA C 13 54.318 . . 1 . . . . 142 D CA . 18473 1 958 . 1 1 120 120 ASP CB C 13 40.894 . . 1 . . . . 142 D CB . 18473 1 959 . 1 1 120 120 ASP N N 15 118.316 . . 1 . . . . 142 D N . 18473 1 960 . 1 1 121 121 PHE H H 1 8.005 . . 1 . . . . 143 F HN . 18473 1 961 . 1 1 121 121 PHE HA H 1 4.457 . . 1 . . . . 143 F HA . 18473 1 962 . 1 1 121 121 PHE HB2 H 1 3.256 . . 2 . . . . 143 F HB1 . 18473 1 963 . 1 1 121 121 PHE HB3 H 1 2.537 . . 2 . . . . 143 F HB2 . 18473 1 964 . 1 1 121 121 PHE HD1 H 1 6.716 . . 3 . . . . 143 F HD1 . 18473 1 965 . 1 1 121 121 PHE HD2 H 1 6.716 . . 3 . . . . 143 F HD2 . 18473 1 966 . 1 1 121 121 PHE CA C 13 59.208 . . 1 . . . . 143 F CA . 18473 1 967 . 1 1 121 121 PHE CB C 13 39.852 . . 1 . . . . 143 F CB . 18473 1 968 . 1 1 121 121 PHE N N 15 122.474 . . 1 . . . . 143 F N . 18473 1 969 . 1 1 122 122 ARG H H 1 7.962 . . 1 . . . . 144 R HN . 18473 1 970 . 1 1 122 122 ARG HA H 1 4.626 . . 1 . . . . 144 R HA . 18473 1 971 . 1 1 122 122 ARG HB2 H 1 1.537 . . 2 . . . . 144 R HB1 . 18473 1 972 . 1 1 122 122 ARG HD2 H 1 3.881 . . 2 . . . . 144 R HD1 . 18473 1 973 . 1 1 122 122 ARG CA C 13 54.35 . . 1 . . . . 144 R CA . 18473 1 974 . 1 1 122 122 ARG CB C 13 34.681 . . 1 . . . . 144 R CB . 18473 1 975 . 1 1 122 122 ARG CG C 13 28.445 . . 1 . . . . 144 R CG . 18473 1 976 . 1 1 122 122 ARG CD C 13 40.904 . . 1 . . . . 144 R CD . 18473 1 977 . 1 1 122 122 ARG N N 15 126.739 . . 1 . . . . 144 R N . 18473 1 978 . 1 1 123 123 MET H H 1 8.392 . . 1 . . . . 145 M HN . 18473 1 979 . 1 1 123 123 MET HA H 1 5.113 . . 1 . . . . 145 M HA . 18473 1 980 . 1 1 123 123 MET HB2 H 1 1.849 . . 2 . . . . 145 M HB1 . 18473 1 981 . 1 1 123 123 MET HB3 H 1 1.781 . . 2 . . . . 145 M HB2 . 18473 1 982 . 1 1 123 123 MET HG2 H 1 2.302 . . 2 . . . . 145 M HG1 . 18473 1 983 . 1 1 123 123 MET HG3 H 1 2.209 . . 2 . . . . 145 M HG2 . 18473 1 984 . 1 1 123 123 MET HE1 H 1 1.701 . . 1 . . . . 145 M HE1 . 18473 1 985 . 1 1 123 123 MET HE2 H 1 1.701 . . 1 . . . . 145 M HE1 . 18473 1 986 . 1 1 123 123 MET HE3 H 1 1.701 . . 1 . . . . 145 M HE1 . 18473 1 987 . 1 1 123 123 MET CA C 13 55.103 . . 1 . . . . 145 M CA . 18473 1 988 . 1 1 123 123 MET CB C 13 38.096 . . 1 . . . . 145 M CB . 18473 1 989 . 1 1 123 123 MET CG C 13 32.08 . . 1 . . . . 145 M CG . 18473 1 990 . 1 1 123 123 MET CE C 13 18.424 . . 1 . . . . 145 M CE . 18473 1 991 . 1 1 123 123 MET N N 15 121.55 . . 1 . . . . 145 M N . 18473 1 992 . 1 1 124 124 ALA H H 1 9.819 . . 1 . . . . 146 A HN . 18473 1 993 . 1 1 124 124 ALA HA H 1 5.776 . . 1 . . . . 146 A HA . 18473 1 994 . 1 1 124 124 ALA HB1 H 1 1.564 . . 1 . . . . 146 A HB1 . 18473 1 995 . 1 1 124 124 ALA HB2 H 1 1.564 . . 1 . . . . 146 A HB1 . 18473 1 996 . 1 1 124 124 ALA HB3 H 1 1.564 . . 1 . . . . 146 A HB1 . 18473 1 997 . 1 1 124 124 ALA CA C 13 50.19 . . 1 . . . . 146 A CA . 18473 1 998 . 1 1 124 124 ALA CB C 13 22.748 . . 1 . . . . 146 A CB . 18473 1 999 . 1 1 124 124 ALA N N 15 132.151 . . 1 . . . . 146 A N . 18473 1 1000 . 1 1 125 125 THR H H 1 9.164 . . 1 . . . . 147 T HN . 18473 1 1001 . 1 1 125 125 THR HA H 1 4.903 . . 1 . . . . 147 T HA . 18473 1 1002 . 1 1 125 125 THR HB H 1 3.656 . . 1 . . . . 147 T HB . 18473 1 1003 . 1 1 125 125 THR HG21 H 1 0.92 . . 1 . . . . 147 T HG21 . 18473 1 1004 . 1 1 125 125 THR HG22 H 1 0.92 . . 1 . . . . 147 T HG21 . 18473 1 1005 . 1 1 125 125 THR HG23 H 1 0.92 . . 1 . . . . 147 T HG21 . 18473 1 1006 . 1 1 125 125 THR CA C 13 62.673 . . 1 . . . . 147 T CA . 18473 1 1007 . 1 1 125 125 THR CB C 13 71.463 . . 1 . . . . 147 T CB . 18473 1 1008 . 1 1 125 125 THR CG2 C 13 21.717 . . 1 . . . . 147 T CG2 . 18473 1 1009 . 1 1 125 125 THR N N 15 118.814 . . 1 . . . . 147 T N . 18473 1 1010 . 1 1 126 126 LEU H H 1 8.369 . . 1 . . . . 148 L HN . 18473 1 1011 . 1 1 126 126 LEU HA H 1 5.059 . . 1 . . . . 148 L HA . 18473 1 1012 . 1 1 126 126 LEU HB2 H 1 0.966 . . 2 . . . . 148 L HB1 . 18473 1 1013 . 1 1 126 126 LEU HB3 H 1 0.372 . . 2 . . . . 148 L HB2 . 18473 1 1014 . 1 1 126 126 LEU HD11 H 1 0.966 . . 2 . . . . 148 L HD11 . 18473 1 1015 . 1 1 126 126 LEU HD12 H 1 0.966 . . 2 . . . . 148 L HD11 . 18473 1 1016 . 1 1 126 126 LEU HD13 H 1 0.966 . . 2 . . . . 148 L HD11 . 18473 1 1017 . 1 1 126 126 LEU HD21 H 1 0.683 . . 2 . . . . 148 L HD21 . 18473 1 1018 . 1 1 126 126 LEU HD22 H 1 0.683 . . 2 . . . . 148 L HD21 . 18473 1 1019 . 1 1 126 126 LEU HD23 H 1 0.683 . . 2 . . . . 148 L HD21 . 18473 1 1020 . 1 1 126 126 LEU CA C 13 52.828 . . 1 . . . . 148 L CA . 18473 1 1021 . 1 1 126 126 LEU CB C 13 42.652 . . 1 . . . . 148 L CB . 18473 1 1022 . 1 1 126 126 LEU CD1 C 13 23.938 . . 2 . . . . 148 L CD1 . 18473 1 1023 . 1 1 126 126 LEU CD2 C 13 26.91 . . 1 . . . . 148 L CD2 . 18473 1 1024 . 1 1 126 126 LEU N N 15 128.163 . . 1 . . . . 148 L N . 18473 1 1025 . 1 1 127 127 TYR H H 1 9.334 . . 1 . . . . 149 Y HN . 18473 1 1026 . 1 1 127 127 TYR HA H 1 5.735 . . 1 . . . . 149 Y HA . 18473 1 1027 . 1 1 127 127 TYR HB2 H 1 2.951 . . 2 . . . . 149 Y HB1 . 18473 1 1028 . 1 1 127 127 TYR HB3 H 1 2.371 . . 2 . . . . 149 Y HB2 . 18473 1 1029 . 1 1 127 127 TYR HD2 H 1 6.604 . . 3 . . . . 149 Y HD2 . 18473 1 1030 . 1 1 127 127 TYR HE1 H 1 6.238 . . 3 . . . . 149 Y HE1 . 18473 1 1031 . 1 1 127 127 TYR HE2 H 1 6.238 . . 3 . . . . 149 Y HE2 . 18473 1 1032 . 1 1 127 127 TYR CA C 13 54.35 . . 1 . . . . 149 Y CA . 18473 1 1033 . 1 1 127 127 TYR CB C 13 40.085 . . 1 . . . . 149 Y CB . 18473 1 1034 . 1 1 127 127 TYR N N 15 128.481 . . 1 . . . . 149 Y N . 18473 1 1035 . 1 1 128 128 SER H H 1 9.606 . . 1 . . . . 150 S HN . 18473 1 1036 . 1 1 128 128 SER HA H 1 5.945 . . 1 . . . . 150 S HA . 18473 1 1037 . 1 1 128 128 SER HB2 H 1 3.81 . . 2 . . . . 150 S HB1 . 18473 1 1038 . 1 1 128 128 SER HB3 H 1 3.799 . . 2 . . . . 150 S HB2 . 18473 1 1039 . 1 1 128 128 SER CA C 13 55.354 . . 1 . . . . 150 S CA . 18473 1 1040 . 1 1 128 128 SER CB C 13 65.974 . . 1 . . . . 150 S CB . 18473 1 1041 . 1 1 128 128 SER N N 15 113.046 . . 1 . . . . 150 S N . 18473 1 1042 . 1 1 129 129 ARG H H 1 8.695 . . 1 . . . . 151 R HN . 18473 1 1043 . 1 1 129 129 ARG HA H 1 4.1 . . 1 . . . . 151 R HA . 18473 1 1044 . 1 1 129 129 ARG HB2 H 1 2.028 . . 2 . . . . 151 R HB1 . 18473 1 1045 . 1 1 129 129 ARG HB3 H 1 1.879 . . 2 . . . . 151 R HB2 . 18473 1 1046 . 1 1 129 129 ARG HD2 H 1 2.986 . . 2 . . . . 151 R HD1 . 18473 1 1047 . 1 1 129 129 ARG CA C 13 57.177 . . 1 . . . . 151 R CA . 18473 1 1048 . 1 1 129 129 ARG CB C 13 31.008 . . 1 . . . . 151 R CB . 18473 1 1049 . 1 1 129 129 ARG CG C 13 28.433 . . 1 . . . . 151 R CG . 18473 1 1050 . 1 1 129 129 ARG CD C 13 41.413 . . 1 . . . . 151 R CD . 18473 1 1051 . 1 1 129 129 ARG N N 15 126.259 . . 1 . . . . 151 R N . 18473 1 1052 . 1 1 130 130 THR H H 1 8.216 . . 1 . . . . 152 T HN . 18473 1 1053 . 1 1 130 130 THR HA H 1 4.796 . . 1 . . . . 152 T HA . 18473 1 1054 . 1 1 130 130 THR HB H 1 4.459 . . 1 . . . . 152 T HB . 18473 1 1055 . 1 1 130 130 THR HG21 H 1 1.249 . . 1 . . . . 152 T HG21 . 18473 1 1056 . 1 1 130 130 THR HG22 H 1 1.249 . . 1 . . . . 152 T HG21 . 18473 1 1057 . 1 1 130 130 THR HG23 H 1 1.249 . . 1 . . . . 152 T HG21 . 18473 1 1058 . 1 1 130 130 THR CA C 13 59.547 . . 1 . . . . 152 T CA . 18473 1 1059 . 1 1 130 130 THR CB C 13 71.244 . . 1 . . . . 152 T CB . 18473 1 1060 . 1 1 130 130 THR CG2 C 13 21.243 . . 1 . . . . 152 T CG2 . 18473 1 1061 . 1 1 130 130 THR N N 15 108.284 . . 1 . . . . 152 T N . 18473 1 1062 . 1 1 131 131 GLN H H 1 8.647 . . 1 . . . . 153 Q HN . 18473 1 1063 . 1 1 131 131 GLN HA H 1 3.744 . . 1 . . . . 153 Q HA . 18473 1 1064 . 1 1 131 131 GLN HB2 H 1 2.323 . . 2 . . . . 153 Q HB1 . 18473 1 1065 . 1 1 131 131 GLN HB3 H 1 1.892 . . 2 . . . . 153 Q HB2 . 18473 1 1066 . 1 1 131 131 GLN HG2 H 1 2.113 . . 2 . . . . 153 Q HG1 . 18473 1 1067 . 1 1 131 131 GLN HG3 H 1 2.042 . . 2 . . . . 153 Q HG2 . 18473 1 1068 . 1 1 131 131 GLN CA C 13 57.383 . . 1 . . . . 153 Q CA . 18473 1 1069 . 1 1 131 131 GLN CB C 13 28.978 . . 1 . . . . 153 Q CB . 18473 1 1070 . 1 1 131 131 GLN CG C 13 33.655 . . 1 . . . . 153 Q CG . 18473 1 1071 . 1 1 131 131 GLN N N 15 118.718 . . 1 . . . . 153 Q N . 18473 1 1072 . 1 1 132 132 THR H H 1 7.275 . . 1 . . . . 154 T HN . 18473 1 1073 . 1 1 132 132 THR HA H 1 4.278 . . 1 . . . . 154 T HA . 18473 1 1074 . 1 1 132 132 THR HB H 1 4.142 . . 1 . . . . 154 T HB . 18473 1 1075 . 1 1 132 132 THR HG21 H 1 1.088 . . 1 . . . . 154 T HG21 . 18473 1 1076 . 1 1 132 132 THR HG22 H 1 1.088 . . 1 . . . . 154 T HG21 . 18473 1 1077 . 1 1 132 132 THR HG23 H 1 1.088 . . 1 . . . . 154 T HG21 . 18473 1 1078 . 1 1 132 132 THR CA C 13 60.622 . . 1 . . . . 154 T CA . 18473 1 1079 . 1 1 132 132 THR CB C 13 69.878 . . 1 . . . . 154 T CB . 18473 1 1080 . 1 1 132 132 THR CG2 C 13 21.704 . . 1 . . . . 154 T CG2 . 18473 1 1081 . 1 1 132 132 THR N N 15 109.451 . . 1 . . . . 154 T N . 18473 1 1082 . 1 1 133 133 LEU H H 1 8.525 . . 1 . . . . 155 L HN . 18473 1 1083 . 1 1 133 133 LEU HA H 1 4.54 . . 1 . . . . 155 L HA . 18473 1 1084 . 1 1 133 133 LEU HB2 H 1 1.298 . . 2 . . . . 155 L HB1 . 18473 1 1085 . 1 1 133 133 LEU HB3 H 1 1.324 . . 2 . . . . 155 L HB2 . 18473 1 1086 . 1 1 133 133 LEU HD11 H 1 0.64 . . 4 . . . . 155 L HD11 . 18473 1 1087 . 1 1 133 133 LEU HD12 H 1 0.64 . . 4 . . . . 155 L HD11 . 18473 1 1088 . 1 1 133 133 LEU HD13 H 1 0.64 . . 4 . . . . 155 L HD11 . 18473 1 1089 . 1 1 133 133 LEU HD21 H 1 0.573 . . 4 . . . . 155 L HD21 . 18473 1 1090 . 1 1 133 133 LEU HD22 H 1 0.573 . . 4 . . . . 155 L HD21 . 18473 1 1091 . 1 1 133 133 LEU HD23 H 1 0.573 . . 4 . . . . 155 L HD21 . 18473 1 1092 . 1 1 133 133 LEU CA C 13 53.296 . . 1 . . . . 155 L CA . 18473 1 1093 . 1 1 133 133 LEU CB C 13 44.538 . . 1 . . . . 155 L CB . 18473 1 1094 . 1 1 133 133 LEU CD1 C 13 23.783 . . 1 . . . . 155 L CD1 . 18473 1 1095 . 1 1 133 133 LEU CD2 C 13 25.856 . . 1 . . . . 155 L CD2 . 18473 1 1096 . 1 1 133 133 LEU N N 15 124.459 . . 1 . . . . 155 L N . 18473 1 1097 . 1 1 134 134 LYS H H 1 8.241 . . 1 . . . . 156 K HN . 18473 1 1098 . 1 1 134 134 LYS HA H 1 4.344 . . 1 . . . . 156 K HA . 18473 1 1099 . 1 1 134 134 LYS HB2 H 1 2.087 . . 2 . . . . 156 K HB1 . 18473 1 1100 . 1 1 134 134 LYS HB3 H 1 1.736 . . 2 . . . . 156 K HB2 . 18473 1 1101 . 1 1 134 134 LYS HG2 H 1 1.57 . . 2 . . . . 156 K HG2 . 18473 1 1102 . 1 1 134 134 LYS HE2 H 1 2.986 . . 2 . . . . 156 K HE2 . 18473 1 1103 . 1 1 134 134 LYS CA C 13 55.899 . . 1 . . . . 156 K CA . 18473 1 1104 . 1 1 134 134 LYS CB C 13 33.622 . . 1 . . . . 156 K CB . 18473 1 1105 . 1 1 134 134 LYS CG C 13 25.343 . . 1 . . . . 156 K CG . 18473 1 1106 . 1 1 134 134 LYS CD C 13 29.409 . . 1 . . . . 156 K CD . 18473 1 1107 . 1 1 134 134 LYS CE C 13 41.895 . . 1 . . . . 156 K CE . 18473 1 1108 . 1 1 134 134 LYS N N 15 124.233 . . 1 . . . . 156 K N . 18473 1 1109 . 1 1 135 135 ASP H H 1 8.94 . . 1 . . . . 157 D HN . 18473 1 1110 . 1 1 135 135 ASP HA H 1 4.111 . . 1 . . . . 157 D HA . 18473 1 1111 . 1 1 135 135 ASP HB2 H 1 2.655 . . 2 . . . . 157 D HB1 . 18473 1 1112 . 1 1 135 135 ASP HB3 H 1 2.56 . . 2 . . . . 157 D HB2 . 18473 1 1113 . 1 1 135 135 ASP CA C 13 58.465 . . 1 . . . . 157 D CA . 18473 1 1114 . 1 1 135 135 ASP CB C 13 39.991 . . 1 . . . . 157 D CB . 18473 1 1115 . 1 1 135 135 ASP N N 15 124.547 . . 1 . . . . 157 D N . 18473 1 1116 . 1 1 136 136 GLU H H 1 9.535 . . 1 . . . . 158 E HN . 18473 1 1117 . 1 1 136 136 GLU HA H 1 4.124 . . 1 . . . . 158 E HA . 18473 1 1118 . 1 1 136 136 GLU HB2 H 1 2.022 . . 2 . . . . 158 E HB1 . 18473 1 1119 . 1 1 136 136 GLU CA C 13 59.524 . . 1 . . . . 158 E CA . 18473 1 1120 . 1 1 136 136 GLU CB C 13 29.007 . . 1 . . . . 158 E CB . 18473 1 1121 . 1 1 136 136 GLU CG C 13 36.236 . . 1 . . . . 158 E CG . 18473 1 1122 . 1 1 136 136 GLU N N 15 118.327 . . 1 . . . . 158 E N . 18473 1 1123 . 1 1 137 137 LEU H H 1 7.248 . . 1 . . . . 159 L HN . 18473 1 1124 . 1 1 137 137 LEU HA H 1 4.083 . . 1 . . . . 159 L HA . 18473 1 1125 . 1 1 137 137 LEU HB2 H 1 1.752 . . 2 . . . . 159 L HB1 . 18473 1 1126 . 1 1 137 137 LEU HB3 H 1 1.466 . . 2 . . . . 159 L HB2 . 18473 1 1127 . 1 1 137 137 LEU HD11 H 1 0.698 . . 4 . . . . 159 L HD11 . 18473 1 1128 . 1 1 137 137 LEU HD12 H 1 0.698 . . 4 . . . . 159 L HD11 . 18473 1 1129 . 1 1 137 137 LEU HD13 H 1 0.698 . . 4 . . . . 159 L HD11 . 18473 1 1130 . 1 1 137 137 LEU HD21 H 1 0.49 . . 4 . . . . 159 L HD21 . 18473 1 1131 . 1 1 137 137 LEU HD22 H 1 0.49 . . 4 . . . . 159 L HD21 . 18473 1 1132 . 1 1 137 137 LEU HD23 H 1 0.49 . . 4 . . . . 159 L HD21 . 18473 1 1133 . 1 1 137 137 LEU CA C 13 56.34 . . 1 . . . . 159 L CA . 18473 1 1134 . 1 1 137 137 LEU CB C 13 41.851 . . 1 . . . . 159 L CB . 18473 1 1135 . 1 1 137 137 LEU CD1 C 13 24.302 . . 1 . . . . 159 L CD1 . 18473 1 1136 . 1 1 137 137 LEU CD2 C 13 23.784 . . 1 . . . . 159 L CD2 . 18473 1 1137 . 1 1 137 137 LEU N N 15 119.829 . . 1 . . . . 159 L N . 18473 1 1138 . 1 1 138 138 LYS H H 1 7.391 . . 1 . . . . 160 K HN . 18473 1 1139 . 1 1 138 138 LYS HA H 1 3.97 . . 1 . . . . 160 K HA . 18473 1 1140 . 1 1 138 138 LYS HB2 H 1 1.797 . . 2 . . . . 160 K HB1 . 18473 1 1141 . 1 1 138 138 LYS HB3 H 1 1.49 . . 2 . . . . 160 K HB2 . 18473 1 1142 . 1 1 138 138 LYS CA C 13 60.535 . . 1 . . . . 160 K CA . 18473 1 1143 . 1 1 138 138 LYS CB C 13 31.57 . . 1 . . . . 160 K CB . 18473 1 1144 . 1 1 138 138 LYS CG C 13 25.863 . . 1 . . . . 160 K CG . 18473 1 1145 . 1 1 138 138 LYS CD C 13 28.967 . . 1 . . . . 160 K CD . 18473 1 1146 . 1 1 138 138 LYS CE C 13 41.4 . . 1 . . . . 160 K CE . 18473 1 1147 . 1 1 138 138 LYS N N 15 119.824 . . 1 . . . . 160 K N . 18473 1 1148 . 1 1 139 139 GLU H H 1 7.875 . . 1 . . . . 161 E HN . 18473 1 1149 . 1 1 139 139 GLU HA H 1 4.085 . . 1 . . . . 161 E HA . 18473 1 1150 . 1 1 139 139 GLU HB2 H 1 2.055 . . 2 . . . . 161 E HB1 . 18473 1 1151 . 1 1 139 139 GLU CA C 13 59.378 . . 1 . . . . 161 E CA . 18473 1 1152 . 1 1 139 139 GLU CB C 13 29.157 . . 1 . . . . 161 E CB . 18473 1 1153 . 1 1 139 139 GLU N N 15 119.749 . . 1 . . . . 161 E N . 18473 1 1154 . 1 1 140 140 LYS H H 1 7.807 . . 1 . . . . 162 K HN . 18473 1 1155 . 1 1 140 140 LYS HA H 1 4.065 . . 1 . . . . 162 K HA . 18473 1 1156 . 1 1 140 140 LYS HB2 H 1 2.022 . . 2 . . . . 162 K HB1 . 18473 1 1157 . 1 1 140 140 LYS HB3 H 1 1.822 . . 2 . . . . 162 K HB2 . 18473 1 1158 . 1 1 140 140 LYS CA C 13 59.523 . . 1 . . . . 162 K CA . 18473 1 1159 . 1 1 140 140 LYS CB C 13 32.075 . . 1 . . . . 162 K CB . 18473 1 1160 . 1 1 140 140 LYS CG C 13 23.784 . . 1 . . . . 162 K CG . 18473 1 1161 . 1 1 140 140 LYS N N 15 120.548 . . 1 . . . . 162 K N . 18473 1 1162 . 1 1 141 141 PHE H H 1 8.576 . . 1 . . . . 163 F HN . 18473 1 1163 . 1 1 141 141 PHE HA H 1 4.38 . . 1 . . . . 163 F HA . 18473 1 1164 . 1 1 141 141 PHE HB2 H 1 3.351 . . 2 . . . . 163 F HB1 . 18473 1 1165 . 1 1 141 141 PHE HD1 H 1 7.191 . . 3 . . . . 163 F HD1 . 18473 1 1166 . 1 1 141 141 PHE CA C 13 61.588 . . 1 . . . . 163 F CA . 18473 1 1167 . 1 1 141 141 PHE CB C 13 39.837 . . 1 . . . . 163 F CB . 18473 1 1168 . 1 1 141 141 PHE N N 15 119.115 . . 1 . . . . 163 F N . 18473 1 1169 . 1 1 142 142 THR H H 1 8.791 . . 1 . . . . 164 T HN . 18473 1 1170 . 1 1 142 142 THR CA C 13 68.307 . . 1 . . . . 164 T CA . 18473 1 1171 . 1 1 142 142 THR N N 15 120.168 . . 1 . . . . 164 T N . 18473 1 1172 . 1 1 143 143 THR H H 1 8.586 . . 1 . . . . 165 T HN . 18473 1 1173 . 1 1 143 143 THR HA H 1 3.736 . . 1 . . . . 165 T HA . 18473 1 1174 . 1 1 143 143 THR HB H 1 4.23 . . 1 . . . . 165 T HB . 18473 1 1175 . 1 1 143 143 THR HG21 H 1 1.24 . . 1 . . . . 165 T HG21 . 18473 1 1176 . 1 1 143 143 THR HG22 H 1 1.24 . . 1 . . . . 165 T HG21 . 18473 1 1177 . 1 1 143 143 THR HG23 H 1 1.24 . . 1 . . . . 165 T HG21 . 18473 1 1178 . 1 1 143 143 THR CA C 13 66.785 . . 1 . . . . 165 T CA . 18473 1 1179 . 1 1 143 143 THR CB C 13 68.632 . . 1 . . . . 165 T CB . 18473 1 1180 . 1 1 143 143 THR CG2 C 13 21.713 . . 1 . . . . 165 T CG2 . 18473 1 1181 . 1 1 143 143 THR N N 15 118.62 . . 1 . . . . 165 T N . 18473 1 1182 . 1 1 144 144 PHE H H 1 8.328 . . 1 . . . . 166 F HN . 18473 1 1183 . 1 1 144 144 PHE HA H 1 4.12 . . 1 . . . . 166 F HA . 18473 1 1184 . 1 1 144 144 PHE HB2 H 1 3.282 . . 2 . . . . 166 F HB1 . 18473 1 1185 . 1 1 144 144 PHE HB3 H 1 2.865 . . 2 . . . . 166 F HB2 . 18473 1 1186 . 1 1 144 144 PHE HD1 H 1 7.041 . . 3 . . . . 166 F HD1 . 18473 1 1187 . 1 1 144 144 PHE HD2 H 1 7.041 . . 3 . . . . 166 F HD2 . 18473 1 1188 . 1 1 144 144 PHE HE1 H 1 7.247 . . 3 . . . . 166 F HE1 . 18473 1 1189 . 1 1 144 144 PHE HE2 H 1 7.247 . . 3 . . . . 166 F HE2 . 18473 1 1190 . 1 1 144 144 PHE HZ H 1 6.84 . . 1 . . . . 166 F HZ . 18473 1 1191 . 1 1 144 144 PHE CA C 13 61.515 . . 1 . . . . 166 F CA . 18473 1 1192 . 1 1 144 144 PHE CB C 13 39.766 . . 1 . . . . 166 F CB . 18473 1 1193 . 1 1 144 144 PHE N N 15 122.711 . . 1 . . . . 166 F N . 18473 1 1194 . 1 1 145 145 SER H H 1 8.073 . . 1 . . . . 167 S HN . 18473 1 1195 . 1 1 145 145 SER HA H 1 3.284 . . 1 . . . . 167 S HA . 18473 1 1196 . 1 1 145 145 SER HB2 H 1 3.548 . . 2 . . . . 167 S HB1 . 18473 1 1197 . 1 1 145 145 SER HB3 H 1 3.028 . . 2 . . . . 167 S HB2 . 18473 1 1198 . 1 1 145 145 SER CA C 13 64.143 . . 1 . . . . 167 S CA . 18473 1 1199 . 1 1 145 145 SER CB C 13 62.026 . . 1 . . . . 167 S CB . 18473 1 1200 . 1 1 145 145 SER N N 15 115.684 . . 1 . . . . 167 S N . 18473 1 1201 . 1 1 146 146 LYS H H 1 8.003 . . 1 . . . . 168 K HN . 18473 1 1202 . 1 1 146 146 LYS HA H 1 4.393 . . 1 . . . . 168 K HA . 18473 1 1203 . 1 1 146 146 LYS HB2 H 1 1.728 . . 2 . . . . 168 K HB1 . 18473 1 1204 . 1 1 146 146 LYS CA C 13 58.739 . . 1 . . . . 168 K CA . 18473 1 1205 . 1 1 146 146 LYS CB C 13 32.071 . . 1 . . . . 168 K CB . 18473 1 1206 . 1 1 146 146 LYS CG C 13 25.857 . . 1 . . . . 168 K CG . 18473 1 1207 . 1 1 146 146 LYS CD C 13 29.481 . . 1 . . . . 168 K CD . 18473 1 1208 . 1 1 146 146 LYS CE C 13 41.392 . . 1 . . . . 168 K CE . 18473 1 1209 . 1 1 146 146 LYS N N 15 121.398 . . 1 . . . . 168 K N . 18473 1 1210 . 1 1 147 147 ALA H H 1 7.731 . . 1 . . . . 169 A HN . 18473 1 1211 . 1 1 147 147 ALA HA H 1 4.039 . . 1 . . . . 169 A HA . 18473 1 1212 . 1 1 147 147 ALA HB1 H 1 1.309 . . 1 . . . . 169 A HB1 . 18473 1 1213 . 1 1 147 147 ALA HB2 H 1 1.309 . . 1 . . . . 169 A HB1 . 18473 1 1214 . 1 1 147 147 ALA HB3 H 1 1.309 . . 1 . . . . 169 A HB1 . 18473 1 1215 . 1 1 147 147 ALA CA C 13 54.237 . . 1 . . . . 169 A CA . 18473 1 1216 . 1 1 147 147 ALA CB C 13 17.065 . . 1 . . . . 169 A CB . 18473 1 1217 . 1 1 147 147 ALA N N 15 123.341 . . 1 . . . . 169 A N . 18473 1 1218 . 1 1 148 148 GLN H H 1 7.04 . . 1 . . . . 170 Q HN . 18473 1 1219 . 1 1 148 148 GLN HA H 1 4.149 . . 1 . . . . 170 Q HA . 18473 1 1220 . 1 1 148 148 GLN HB2 H 1 2.044 . . 2 . . . . 170 Q HB1 . 18473 1 1221 . 1 1 148 148 GLN CA C 13 53.204 . . 1 . . . . 170 Q CA . 18473 1 1222 . 1 1 148 148 GLN CB C 13 26.888 . . 1 . . . . 170 Q CB . 18473 1 1223 . 1 1 148 148 GLN CG C 13 31.036 . . 1 . . . . 170 Q CG . 18473 1 1224 . 1 1 148 148 GLN N N 15 113.822 . . 1 . . . . 170 Q N . 18473 1 1225 . 1 1 149 149 GLY H H 1 7.626 . . 1 . . . . 171 G HN . 18473 1 1226 . 1 1 149 149 GLY HA2 H 1 4.05 . . 2 . . . . 171 G HA1 . 18473 1 1227 . 1 1 149 149 GLY HA3 H 1 3.584 . . 2 . . . . 171 G HA2 . 18473 1 1228 . 1 1 149 149 GLY CA C 13 45.556 . . 1 . . . . 171 G CA . 18473 1 1229 . 1 1 149 149 GLY N N 15 105.959 . . 1 . . . . 171 G N . 18473 1 1230 . 1 1 150 150 LEU H H 1 7.347 . . 1 . . . . 172 L HN . 18473 1 1231 . 1 1 150 150 LEU HA H 1 4.552 . . 1 . . . . 172 L HA . 18473 1 1232 . 1 1 150 150 LEU HB2 H 1 1.278 . . 2 . . . . 172 L HB1 . 18473 1 1233 . 1 1 150 150 LEU HD11 H 1 0.578 . . 2 . . . . 172 L HD11 . 18473 1 1234 . 1 1 150 150 LEU HD12 H 1 0.578 . . 2 . . . . 172 L HD11 . 18473 1 1235 . 1 1 150 150 LEU HD13 H 1 0.578 . . 2 . . . . 172 L HD11 . 18473 1 1236 . 1 1 150 150 LEU HD21 H 1 0.641 . . 2 . . . . 172 L HD21 . 18473 1 1237 . 1 1 150 150 LEU HD22 H 1 0.641 . . 2 . . . . 172 L HD21 . 18473 1 1238 . 1 1 150 150 LEU HD23 H 1 0.641 . . 2 . . . . 172 L HD21 . 18473 1 1239 . 1 1 150 150 LEU CA C 13 53.661 . . 1 . . . . 172 L CA . 18473 1 1240 . 1 1 150 150 LEU CB C 13 40.731 . . 1 . . . . 172 L CB . 18473 1 1241 . 1 1 150 150 LEU CD1 C 13 25.338 . . 1 . . . . 172 L CD1 . 18473 1 1242 . 1 1 150 150 LEU CD2 C 13 23.78 . . 1 . . . . 172 L CD2 . 18473 1 1243 . 1 1 150 150 LEU N N 15 121.113 . . 1 . . . . 172 L N . 18473 1 1244 . 1 1 151 151 THR H H 1 9.003 . . 1 . . . . 173 T HN . 18473 1 1245 . 1 1 151 151 THR HA H 1 4.539 . . 1 . . . . 173 T HA . 18473 1 1246 . 1 1 151 151 THR HB H 1 4.489 . . 1 . . . . 173 T HB . 18473 1 1247 . 1 1 151 151 THR HG21 H 1 1.193 . . 1 . . . . 173 T HG21 . 18473 1 1248 . 1 1 151 151 THR HG22 H 1 1.193 . . 1 . . . . 173 T HG21 . 18473 1 1249 . 1 1 151 151 THR HG23 H 1 1.193 . . 1 . . . . 173 T HG21 . 18473 1 1250 . 1 1 151 151 THR CA C 13 60.648 . . 1 . . . . 173 T CA . 18473 1 1251 . 1 1 151 151 THR CB C 13 71.933 . . 1 . . . . 173 T CB . 18473 1 1252 . 1 1 151 151 THR CG2 C 13 21.586 . . 1 . . . . 173 T CG2 . 18473 1 1253 . 1 1 151 151 THR N N 15 111.822 . . 1 . . . . 173 T N . 18473 1 1254 . 1 1 152 152 GLU H H 1 9.098 . . 1 . . . . 174 E HN . 18473 1 1255 . 1 1 152 152 GLU HA H 1 3.862 . . 1 . . . . 174 E HA . 18473 1 1256 . 1 1 152 152 GLU HB2 H 1 2.055 . . 2 . . . . 174 E HB1 . 18473 1 1257 . 1 1 152 152 GLU HG2 H 1 2.384 . . 2 . . . . 174 E HG1 . 18473 1 1258 . 1 1 152 152 GLU HG3 H 1 2.301 . . 2 . . . . 174 E HG2 . 18473 1 1259 . 1 1 152 152 GLU CA C 13 60.526 . . 1 . . . . 174 E CA . 18473 1 1260 . 1 1 152 152 GLU CB C 13 29.368 . . 1 . . . . 174 E CB . 18473 1 1261 . 1 1 152 152 GLU CG C 13 37.233 . . 1 . . . . 174 E CG . 18473 1 1262 . 1 1 152 152 GLU N N 15 118.631 . . 1 . . . . 174 E N . 18473 1 1263 . 1 1 153 153 GLU H H 1 8.133 . . 1 . . . . 175 E HN . 18473 1 1264 . 1 1 153 153 GLU HA H 1 4.174 . . 1 . . . . 175 E HA . 18473 1 1265 . 1 1 153 153 GLU HB2 H 1 2.325 . . 2 . . . . 175 E HB1 . 18473 1 1266 . 1 1 153 153 GLU HB3 H 1 2.274 . . 2 . . . . 175 E HB2 . 18473 1 1267 . 1 1 153 153 GLU CA C 13 58.593 . . 1 . . . . 175 E CA . 18473 1 1268 . 1 1 153 153 GLU CB C 13 29.508 . . 1 . . . . 175 E CB . 18473 1 1269 . 1 1 153 153 GLU CG C 13 36.723 . . 1 . . . . 175 E CG . 18473 1 1270 . 1 1 153 153 GLU N N 15 116.231 . . 1 . . . . 175 E N . 18473 1 1271 . 1 1 154 154 ASP H H 1 7.833 . . 1 . . . . 176 D HN . 18473 1 1272 . 1 1 154 154 ASP HA H 1 4.788 . . 1 . . . . 176 D HA . 18473 1 1273 . 1 1 154 154 ASP HB2 H 1 2.888 . . 2 . . . . 176 D HB1 . 18473 1 1274 . 1 1 154 154 ASP HB3 H 1 2.638 . . 2 . . . . 176 D HB2 . 18473 1 1275 . 1 1 154 154 ASP CA C 13 54.359 . . 1 . . . . 176 D CA . 18473 1 1276 . 1 1 154 154 ASP CB C 13 42.873 . . 1 . . . . 176 D CB . 18473 1 1277 . 1 1 154 154 ASP N N 15 118.696 . . 1 . . . . 176 D N . 18473 1 1278 . 1 1 155 155 ILE H H 1 6.952 . . 1 . . . . 177 I HN . 18473 1 1279 . 1 1 155 155 ILE HA H 1 4.321 . . 1 . . . . 177 I HA . 18473 1 1280 . 1 1 155 155 ILE HB H 1 1.705 . . 1 . . . . 177 I HB . 18473 1 1281 . 1 1 155 155 ILE HG12 H 1 1.279 . . 1 . . . . 177 I HG11 . 18473 1 1282 . 1 1 155 155 ILE HG21 H 1 0.704 . . 2 . . . . 177 I HG21 . 18473 1 1283 . 1 1 155 155 ILE HG22 H 1 0.704 . . 2 . . . . 177 I HG21 . 18473 1 1284 . 1 1 155 155 ILE HG23 H 1 0.704 . . 2 . . . . 177 I HG21 . 18473 1 1285 . 1 1 155 155 ILE HD11 H 1 0.533 . . 1 . . . . 177 I HD11 . 18473 1 1286 . 1 1 155 155 ILE HD12 H 1 0.533 . . 1 . . . . 177 I HD11 . 18473 1 1287 . 1 1 155 155 ILE HD13 H 1 0.533 . . 1 . . . . 177 I HD11 . 18473 1 1288 . 1 1 155 155 ILE CA C 13 61.689 . . 1 . . . . 177 I CA . 18473 1 1289 . 1 1 155 155 ILE CB C 13 40.442 . . 1 . . . . 177 I CB . 18473 1 1290 . 1 1 155 155 ILE CG2 C 13 16.016 . . 1 . . . . 177 I CG2 . 18473 1 1291 . 1 1 155 155 ILE N N 15 117.379 . . 1 . . . . 177 I N . 18473 1 1292 . 1 1 156 156 VAL H H 1 9.215 . . 1 . . . . 178 V HN . 18473 1 1293 . 1 1 156 156 VAL HA H 1 4.541 . . 1 . . . . 178 V HA . 18473 1 1294 . 1 1 156 156 VAL HB H 1 2.078 . . 1 . . . . 178 V HB . 18473 1 1295 . 1 1 156 156 VAL HG11 H 1 0.971 . . 4 . . . . 178 V HG11 . 18473 1 1296 . 1 1 156 156 VAL HG12 H 1 0.971 . . 4 . . . . 178 V HG11 . 18473 1 1297 . 1 1 156 156 VAL HG13 H 1 0.971 . . 4 . . . . 178 V HG11 . 18473 1 1298 . 1 1 156 156 VAL CA C 13 60.608 . . 1 . . . . 178 V CA . 18473 1 1299 . 1 1 156 156 VAL CB C 13 36.213 . . 1 . . . . 178 V CB . 18473 1 1300 . 1 1 156 156 VAL CG1 C 13 21.713 . . 2 . . . . 178 V CG1 . 18473 1 1301 . 1 1 156 156 VAL N N 15 126.105 . . 1 . . . . 178 V N . 18473 1 1302 . 1 1 157 157 PHE H H 1 8.71 . . 1 . . . . 179 F HN . 18473 1 1303 . 1 1 157 157 PHE HA H 1 5.008 . . 1 . . . . 179 F HA . 18473 1 1304 . 1 1 157 157 PHE HB2 H 1 3.162 . . 2 . . . . 179 F HB1 . 18473 1 1305 . 1 1 157 157 PHE HB3 H 1 2.907 . . 2 . . . . 179 F HB2 . 18473 1 1306 . 1 1 157 157 PHE HD1 H 1 7.281 . . 3 . . . . 179 F HD1 . 18473 1 1307 . 1 1 157 157 PHE HD2 H 1 7.281 . . 3 . . . . 179 F HD2 . 18473 1 1308 . 1 1 157 157 PHE CA C 13 58.482 . . 1 . . . . 179 F CA . 18473 1 1309 . 1 1 157 157 PHE CB C 13 38.28 . . 1 . . . . 179 F CB . 18473 1 1310 . 1 1 157 157 PHE N N 15 124.9 . . 1 . . . . 179 F N . 18473 1 1311 . 1 1 158 158 LEU H H 1 7.457 . . 1 . . . . 180 L HN . 18473 1 1312 . 1 1 158 158 LEU HA H 1 4.226 . . 1 . . . . 180 L HA . 18473 1 1313 . 1 1 158 158 LEU HB2 H 1 1.696 . . 2 . . . . 180 L HB1 . 18473 1 1314 . 1 1 158 158 LEU HB3 H 1 1.372 . . 2 . . . . 180 L HB2 . 18473 1 1315 . 1 1 158 158 LEU CA C 13 53.165 . . 1 . . . . 180 L CA . 18473 1 1316 . 1 1 158 158 LEU CB C 13 41.376 . . 1 . . . . 180 L CB . 18473 1 1317 . 1 1 158 158 LEU N N 15 125.771 . . 1 . . . . 180 L N . 18473 1 1318 . 1 1 159 159 PRO HA H 1 4.755 . . 1 . . . . 181 P HA . 18473 1 1319 . 1 1 159 159 PRO HB2 H 1 2.352 . . 2 . . . . 181 P HB1 . 18473 1 1320 . 1 1 159 159 PRO HB3 H 1 2.119 . . 2 . . . . 181 P HB2 . 18473 1 1321 . 1 1 159 159 PRO CA C 13 62.024 . . 1 . . . . 181 P CA . 18473 1 1322 . 1 1 159 159 PRO CB C 13 32.599 . . 1 . . . . 181 P CB . 18473 1 1323 . 1 1 159 159 PRO CG C 13 26.853 . . 1 . . . . 181 P CG . 18473 1 1324 . 1 1 159 159 PRO CD C 13 51.134 . . 1 . . . . 181 P CD . 18473 1 1325 . 1 1 160 160 GLN H H 1 8.718 . . 1 . . . . 182 Q HN . 18473 1 1326 . 1 1 160 160 GLN HA H 1 4.589 . . 1 . . . . 182 Q HA . 18473 1 1327 . 1 1 160 160 GLN HB2 H 1 2.067 . . 2 . . . . 182 Q HB1 . 18473 1 1328 . 1 1 160 160 GLN HB3 H 1 2.038 . . 2 . . . . 182 Q HB2 . 18473 1 1329 . 1 1 160 160 GLN CA C 13 55.952 . . 1 . . . . 182 Q CA . 18473 1 1330 . 1 1 160 160 GLN CB C 13 29.287 . . 1 . . . . 182 Q CB . 18473 1 1331 . 1 1 160 160 GLN CG C 13 33.666 . . 1 . . . . 182 Q CG . 18473 1 1332 . 1 1 160 160 GLN N N 15 120.397 . . 1 . . . . 182 Q N . 18473 1 1333 . 1 1 161 161 PRO HA H 1 4.232 . . 1 . . . . 183 P HA . 18473 1 1334 . 1 1 161 161 PRO HB2 H 1 1.837 . . 2 . . . . 183 P HB1 . 18473 1 1335 . 1 1 161 161 PRO HB3 H 1 1.36 . . 2 . . . . 183 P HB2 . 18473 1 1336 . 1 1 161 161 PRO CA C 13 63.096 . . 1 . . . . 183 P CA . 18473 1 1337 . 1 1 161 161 PRO CB C 13 32.012 . . 1 . . . . 183 P CB . 18473 1 1338 . 1 1 161 161 PRO CG C 13 27.449 . . 1 . . . . 183 P CG . 18473 1 1339 . 1 1 161 161 PRO CD C 13 50.662 . . 1 . . . . 183 P CD . 18473 1 1340 . 1 1 162 162 ASP H H 1 8.165 . . 1 . . . . 184 D HN . 18473 1 1341 . 1 1 162 162 ASP HA H 1 4.436 . . 1 . . . . 184 D HA . 18473 1 1342 . 1 1 162 162 ASP HB2 H 1 2.63 . . 2 . . . . 184 D HB1 . 18473 1 1343 . 1 1 162 162 ASP CA C 13 54.896 . . 1 . . . . 184 D CA . 18473 1 1344 . 1 1 162 162 ASP CB C 13 41.407 . . 1 . . . . 184 D CB . 18473 1 1345 . 1 1 162 162 ASP N N 15 119.652 . . 1 . . . . 184 D N . 18473 1 1346 . 1 1 163 163 LYS H H 1 7.938 . . 1 . . . . 185 K HN . 18473 1 1347 . 1 1 163 163 LYS HA H 1 4.339 . . 1 . . . . 185 K HA . 18473 1 1348 . 1 1 163 163 LYS HB2 H 1 1.797 . . 2 . . . . 185 K HB1 . 18473 1 1349 . 1 1 163 163 LYS HB3 H 1 1.729 . . 2 . . . . 185 K HB2 . 18473 1 1350 . 1 1 163 163 LYS HG2 H 1 1.666 . . 2 . . . . 185 K HG1 . 18473 1 1351 . 1 1 163 163 LYS HG3 H 1 1.406 . . 2 . . . . 185 K HG2 . 18473 1 1352 . 1 1 163 163 LYS HE2 H 1 2.981 . . 2 . . . . 185 K HE2 . 18473 1 1353 . 1 1 163 163 LYS CA C 13 56.432 . . 1 . . . . 185 K CA . 18473 1 1354 . 1 1 163 163 LYS CB C 13 33.051 . . 1 . . . . 185 K CB . 18473 1 1355 . 1 1 163 163 LYS CG C 13 24.762 . . 1 . . . . 185 K CG . 18473 1 1356 . 1 1 163 163 LYS CD C 13 28.945 . . 1 . . . . 185 K CD . 18473 1 1357 . 1 1 163 163 LYS CE C 13 41.926 . . 1 . . . . 185 K CE . 18473 1 1358 . 1 1 163 163 LYS N N 15 120.351 . . 1 . . . . 185 K N . 18473 1 1359 . 1 1 164 164 ALA H H 1 8.199 . . 1 . . . . 186 A HN . 18473 1 1360 . 1 1 164 164 ALA HA H 1 4.127 . . 1 . . . . 186 A HA . 18473 1 1361 . 1 1 164 164 ALA HB1 H 1 1.347 . . 1 . . . . 186 A HB1 . 18473 1 1362 . 1 1 164 164 ALA HB2 H 1 1.347 . . 1 . . . . 186 A HB1 . 18473 1 1363 . 1 1 164 164 ALA HB3 H 1 1.347 . . 1 . . . . 186 A HB1 . 18473 1 1364 . 1 1 164 164 ALA CA C 13 52.718 . . 1 . . . . 186 A CA . 18473 1 1365 . 1 1 164 164 ALA CB C 13 19.153 . . 1 . . . . 186 A CB . 18473 1 1366 . 1 1 164 164 ALA N N 15 123.851 . . 1 . . . . 186 A N . 18473 1 1367 . 1 1 165 165 ILE H H 1 8.052 . . 1 . . . . 187 I HN . 18473 1 1368 . 1 1 165 165 ILE HA H 1 4.122 . . 1 . . . . 187 I HA . 18473 1 1369 . 1 1 165 165 ILE HB H 1 1.856 . . 1 . . . . 187 I HB . 18473 1 1370 . 1 1 165 165 ILE HG12 H 1 1.468 . . 1 . . . . 187 I HG11 . 18473 1 1371 . 1 1 165 165 ILE HG13 H 1 1.183 . . 1 . . . . 187 I HG12 . 18473 1 1372 . 1 1 165 165 ILE HG21 H 1 0.945 . . 2 . . . . 187 I HG21 . 18473 1 1373 . 1 1 165 165 ILE HG22 H 1 0.945 . . 2 . . . . 187 I HG21 . 18473 1 1374 . 1 1 165 165 ILE HG23 H 1 0.945 . . 2 . . . . 187 I HG21 . 18473 1 1375 . 1 1 165 165 ILE HD11 H 1 0.841 . . 1 . . . . 187 I HD11 . 18473 1 1376 . 1 1 165 165 ILE HD12 H 1 0.841 . . 1 . . . . 187 I HD11 . 18473 1 1377 . 1 1 165 165 ILE HD13 H 1 0.841 . . 1 . . . . 187 I HD11 . 18473 1 1378 . 1 1 165 165 ILE CA C 13 61.092 . . 1 . . . . 187 I CA . 18473 1 1379 . 1 1 165 165 ILE CB C 13 38.753 . . 1 . . . . 187 I CB . 18473 1 1380 . 1 1 165 165 ILE CG2 C 13 22.525 . . 2 . . . . 187 I CG2 . 18473 1 1381 . 1 1 165 165 ILE CD1 C 13 12.987 . . 1 . . . . 187 I CD1 . 18473 1 1382 . 1 1 165 165 ILE N N 15 119.519 . . 1 . . . . 187 I N . 18473 1 1383 . 1 1 166 166 GLN H H 1 8.31 . . 1 . . . . 188 Q HN . 18473 1 1384 . 1 1 166 166 GLN HA H 1 4.347 . . 1 . . . . 188 Q HA . 18473 1 1385 . 1 1 166 166 GLN HB2 H 1 2.057 . . 2 . . . . 188 Q HB1 . 18473 1 1386 . 1 1 166 166 GLN HB3 H 1 1.953 . . 2 . . . . 188 Q HB2 . 18473 1 1387 . 1 1 166 166 GLN HG2 H 1 2.34 . . 2 . . . . 188 Q HG1 . 18473 1 1388 . 1 1 166 166 GLN CA C 13 55.833 . . 1 . . . . 188 Q CA . 18473 1 1389 . 1 1 166 166 GLN CB C 13 29.938 . . 1 . . . . 188 Q CB . 18473 1 1390 . 1 1 166 166 GLN N N 15 125.073 . . 1 . . . . 188 Q N . 18473 1 1391 . 1 1 167 167 GLU H H 1 8.077 . . 1 . . . . 189 E HN . 18473 1 1392 . 1 1 167 167 GLU CA C 13 57.915 . . 1 . . . . 189 E CA . 18473 1 1393 . 1 1 167 167 GLU CB C 13 31.499 . . 1 . . . . 189 E CB . 18473 1 1394 . 1 1 167 167 GLU N N 15 128.436 . . 1 . . . . 189 E N . 18473 1 stop_ save_