data_10137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10137 _Entry.Title ; Lipocalin-type Prostaglandin D synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-16 _Entry.Accession_date 2007-05-17 _Entry.Last_release_date 2008-02-20 _Entry.Original_release_date 2008-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 . . . 10137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 10137 '15N chemical shifts' 107 10137 '1H chemical shifts' 674 10137 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-02-20 2007-05-16 original author . 10137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E4J 'BMRB Entry Tracking System' 10137 stop_ save_ ############### # Citations # ############### save_L-PGDS_citation _Citation.Sf_category citations _Citation.Sf_framecode L-PGDS_citation _Citation.Entry_ID 10137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17715133 _Citation.Full_citation . _Citation.Title ; NMR solution structure of lipocalin-type prostaglandin D synthase: evidence for partial overlapping of catalytic pocket and retinoic acid-binding pocket within the central cavity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 43 _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 31373 _Citation.Page_last 31379 _Citation.Year 2007 _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 . . . 10137 1 2 T. Yoshida . . . 10137 1 3 T. Inui . . . 10137 1 4 K. Gohda . . . 10137 1 5 Y. Kobayashi . . . 10137 1 6 K. Fujimori . . . 10137 1 7 T. Tsurumura . . . 10137 1 8 K. Aritake . . . 10137 1 9 Y. Urade . . . 10137 1 10 T. Ohkubo . . . 10137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10137 _Assembly.ID 1 _Assembly.Name 'Lipocalin-type Prostaglandin D synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Lipocalin-type Prostaglandin D synthase' 1 $L-PGDS A . yes native no no . . . 10137 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 . PDB 2E4J . . . . . . 10137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L-PGDS _Entity.Sf_category entity _Entity.Sf_framecode L-PGDS _Entity.Entry_ID 10137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L-PGDS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQGHDTVQPNFQQDKFLGR WYSAGLASNSSWFREKKAVL YMCKTVVAPSTEGGLNLTST FLRKNQCETKIMVLQPAGAP GHYTYSSPHSGSIHSVSVVE ANYDEYALLFSRGTKGPGQD FRMATLYSRTQTLKDELKEK FTTFSKAQGLTEEDIVFLPQ PDKCIQE ; _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 2015-11-26 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 11062 . "lipocalin-type prostaglandin D synthase" . . . . . 100.00 167 99.40 99.40 5.53e-120 . . . . 10137 1 2 no BMRB 18473 . lipocalin-type_prostaglandin_D_synthase . . . . . 100.00 167 98.80 98.80 5.87e-119 . . . . 10137 1 3 no PDB 2CZT . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 99.40 99.40 5.53e-120 . . . . 10137 1 4 no PDB 2CZU . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 99.40 99.40 5.53e-120 . . . . 10137 1 5 no PDB 2E4J . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 98.80 98.80 5.87e-119 . . . . 10137 1 6 no PDB 2KTD . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Substrate Analog (U-46619) Complex" . . . . . 100.00 167 98.80 98.80 5.87e-119 . . . . 10137 1 7 no PDB 2RQ0 . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Possessing The Intrinsic Disulfide Bond" . . . . . 100.00 167 99.40 99.40 5.53e-120 . . . . 10137 1 8 no DBJ BAA74461 . "prostaglandin D2 synthase [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 9 no DBJ BAE20833 . "unnamed protein product [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 10 no EMBL CAA61506 . "prostaglandin D synthetase [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 11 no EMBL CAA71226 . "prostaglandin D synthase [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 12 no GB AAH38083 . "Ptgds protein [Mus musculus]" . . . . . 75.45 126 100.00 100.00 2.70e-87 . . . . 10137 1 13 no GB AAH43015 . "Prostaglandin D2 synthase (brain) [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 14 no GB EDL08248 . "prostaglandin D2 synthase (brain), isoform CRA_a, partial [Mus musculus]" . . . . . 99.40 214 99.40 100.00 1.69e-118 . . . . 10137 1 15 no GB EDL08250 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 16 no GB EDL08251 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 17 no REF NP_032989 . "prostaglandin-H2 D-isomerase precursor [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 18 no REF XP_006497849 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 1 19 no REF XP_006497850 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 99.40 100.00 2.54e-119 . . . . 10137 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 99.40 100.00 2.54e-119 . . . . 10137 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 23 GLY . 10137 1 2 24 SER . 10137 1 3 25 GLN . 10137 1 4 26 GLY . 10137 1 5 27 HIS . 10137 1 6 28 ASP . 10137 1 7 29 THR . 10137 1 8 30 VAL . 10137 1 9 31 GLN . 10137 1 10 32 PRO . 10137 1 11 33 ASN . 10137 1 12 34 PHE . 10137 1 13 35 GLN . 10137 1 14 36 GLN . 10137 1 15 37 ASP . 10137 1 16 38 LYS . 10137 1 17 39 PHE . 10137 1 18 40 LEU . 10137 1 19 41 GLY . 10137 1 20 42 ARG . 10137 1 21 43 TRP . 10137 1 22 44 TYR . 10137 1 23 45 SER . 10137 1 24 46 ALA . 10137 1 25 47 GLY . 10137 1 26 48 LEU . 10137 1 27 49 ALA . 10137 1 28 50 SER . 10137 1 29 51 ASN . 10137 1 30 52 SER . 10137 1 31 53 SER . 10137 1 32 54 TRP . 10137 1 33 55 PHE . 10137 1 34 56 ARG . 10137 1 35 57 GLU . 10137 1 36 58 LYS . 10137 1 37 59 LYS . 10137 1 38 60 ALA . 10137 1 39 61 VAL . 10137 1 40 62 LEU . 10137 1 41 63 TYR . 10137 1 42 64 MET . 10137 1 43 65 CYS . 10137 1 44 66 LYS . 10137 1 45 67 THR . 10137 1 46 68 VAL . 10137 1 47 69 VAL . 10137 1 48 70 ALA . 10137 1 49 71 PRO . 10137 1 50 72 SER . 10137 1 51 73 THR . 10137 1 52 74 GLU . 10137 1 53 75 GLY . 10137 1 54 76 GLY . 10137 1 55 77 LEU . 10137 1 56 78 ASN . 10137 1 57 79 LEU . 10137 1 58 80 THR . 10137 1 59 81 SER . 10137 1 60 82 THR . 10137 1 61 83 PHE . 10137 1 62 84 LEU . 10137 1 63 85 ARG . 10137 1 64 86 LYS . 10137 1 65 87 ASN . 10137 1 66 88 GLN . 10137 1 67 89 CYS . 10137 1 68 90 GLU . 10137 1 69 91 THR . 10137 1 70 92 LYS . 10137 1 71 93 ILE . 10137 1 72 94 MET . 10137 1 73 95 VAL . 10137 1 74 96 LEU . 10137 1 75 97 GLN . 10137 1 76 98 PRO . 10137 1 77 99 ALA . 10137 1 78 100 GLY . 10137 1 79 101 ALA . 10137 1 80 102 PRO . 10137 1 81 103 GLY . 10137 1 82 104 HIS . 10137 1 83 105 TYR . 10137 1 84 106 THR . 10137 1 85 107 TYR . 10137 1 86 108 SER . 10137 1 87 109 SER . 10137 1 88 110 PRO . 10137 1 89 111 HIS . 10137 1 90 112 SER . 10137 1 91 113 GLY . 10137 1 92 114 SER . 10137 1 93 115 ILE . 10137 1 94 116 HIS . 10137 1 95 117 SER . 10137 1 96 118 VAL . 10137 1 97 119 SER . 10137 1 98 120 VAL . 10137 1 99 121 VAL . 10137 1 100 122 GLU . 10137 1 101 123 ALA . 10137 1 102 124 ASN . 10137 1 103 125 TYR . 10137 1 104 126 ASP . 10137 1 105 127 GLU . 10137 1 106 128 TYR . 10137 1 107 129 ALA . 10137 1 108 130 LEU . 10137 1 109 131 LEU . 10137 1 110 132 PHE . 10137 1 111 133 SER . 10137 1 112 134 ARG . 10137 1 113 135 GLY . 10137 1 114 136 THR . 10137 1 115 137 LYS . 10137 1 116 138 GLY . 10137 1 117 139 PRO . 10137 1 118 140 GLY . 10137 1 119 141 GLN . 10137 1 120 142 ASP . 10137 1 121 143 PHE . 10137 1 122 144 ARG . 10137 1 123 145 MET . 10137 1 124 146 ALA . 10137 1 125 147 THR . 10137 1 126 148 LEU . 10137 1 127 149 TYR . 10137 1 128 150 SER . 10137 1 129 151 ARG . 10137 1 130 152 THR . 10137 1 131 153 GLN . 10137 1 132 154 THR . 10137 1 133 155 LEU . 10137 1 134 156 LYS . 10137 1 135 157 ASP . 10137 1 136 158 GLU . 10137 1 137 159 LEU . 10137 1 138 160 LYS . 10137 1 139 161 GLU . 10137 1 140 162 LYS . 10137 1 141 163 PHE . 10137 1 142 164 THR . 10137 1 143 165 THR . 10137 1 144 166 PHE . 10137 1 145 167 SER . 10137 1 146 168 LYS . 10137 1 147 169 ALA . 10137 1 148 170 GLN . 10137 1 149 171 GLY . 10137 1 150 172 LEU . 10137 1 151 173 THR . 10137 1 152 174 GLU . 10137 1 153 175 GLU . 10137 1 154 176 ASP . 10137 1 155 177 ILE . 10137 1 156 178 VAL . 10137 1 157 179 PHE . 10137 1 158 180 LEU . 10137 1 159 181 PRO . 10137 1 160 182 GLN . 10137 1 161 183 PRO . 10137 1 162 184 ASP . 10137 1 163 185 LYS . 10137 1 164 186 CYS . 10137 1 165 187 ILE . 10137 1 166 188 GLN . 10137 1 167 189 GLU . 10137 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 10137 1 . SER 2 2 10137 1 . GLN 3 3 10137 1 . GLY 4 4 10137 1 . HIS 5 5 10137 1 . ASP 6 6 10137 1 . THR 7 7 10137 1 . VAL 8 8 10137 1 . GLN 9 9 10137 1 . PRO 10 10 10137 1 . ASN 11 11 10137 1 . PHE 12 12 10137 1 . GLN 13 13 10137 1 . GLN 14 14 10137 1 . ASP 15 15 10137 1 . LYS 16 16 10137 1 . PHE 17 17 10137 1 . LEU 18 18 10137 1 . GLY 19 19 10137 1 . ARG 20 20 10137 1 . TRP 21 21 10137 1 . TYR 22 22 10137 1 . SER 23 23 10137 1 . ALA 24 24 10137 1 . GLY 25 25 10137 1 . LEU 26 26 10137 1 . ALA 27 27 10137 1 . SER 28 28 10137 1 . ASN 29 29 10137 1 . SER 30 30 10137 1 . SER 31 31 10137 1 . TRP 32 32 10137 1 . PHE 33 33 10137 1 . ARG 34 34 10137 1 . GLU 35 35 10137 1 . LYS 36 36 10137 1 . LYS 37 37 10137 1 . ALA 38 38 10137 1 . VAL 39 39 10137 1 . LEU 40 40 10137 1 . TYR 41 41 10137 1 . MET 42 42 10137 1 . CYS 43 43 10137 1 . LYS 44 44 10137 1 . THR 45 45 10137 1 . VAL 46 46 10137 1 . VAL 47 47 10137 1 . ALA 48 48 10137 1 . PRO 49 49 10137 1 . SER 50 50 10137 1 . THR 51 51 10137 1 . GLU 52 52 10137 1 . GLY 53 53 10137 1 . GLY 54 54 10137 1 . LEU 55 55 10137 1 . ASN 56 56 10137 1 . LEU 57 57 10137 1 . THR 58 58 10137 1 . SER 59 59 10137 1 . THR 60 60 10137 1 . PHE 61 61 10137 1 . LEU 62 62 10137 1 . ARG 63 63 10137 1 . LYS 64 64 10137 1 . ASN 65 65 10137 1 . GLN 66 66 10137 1 . CYS 67 67 10137 1 . GLU 68 68 10137 1 . THR 69 69 10137 1 . LYS 70 70 10137 1 . ILE 71 71 10137 1 . MET 72 72 10137 1 . VAL 73 73 10137 1 . LEU 74 74 10137 1 . GLN 75 75 10137 1 . PRO 76 76 10137 1 . ALA 77 77 10137 1 . GLY 78 78 10137 1 . ALA 79 79 10137 1 . PRO 80 80 10137 1 . GLY 81 81 10137 1 . HIS 82 82 10137 1 . TYR 83 83 10137 1 . THR 84 84 10137 1 . TYR 85 85 10137 1 . SER 86 86 10137 1 . SER 87 87 10137 1 . PRO 88 88 10137 1 . HIS 89 89 10137 1 . SER 90 90 10137 1 . GLY 91 91 10137 1 . SER 92 92 10137 1 . ILE 93 93 10137 1 . HIS 94 94 10137 1 . SER 95 95 10137 1 . VAL 96 96 10137 1 . SER 97 97 10137 1 . VAL 98 98 10137 1 . VAL 99 99 10137 1 . GLU 100 100 10137 1 . ALA 101 101 10137 1 . ASN 102 102 10137 1 . TYR 103 103 10137 1 . ASP 104 104 10137 1 . GLU 105 105 10137 1 . TYR 106 106 10137 1 . ALA 107 107 10137 1 . LEU 108 108 10137 1 . LEU 109 109 10137 1 . PHE 110 110 10137 1 . SER 111 111 10137 1 . ARG 112 112 10137 1 . GLY 113 113 10137 1 . THR 114 114 10137 1 . LYS 115 115 10137 1 . GLY 116 116 10137 1 . PRO 117 117 10137 1 . GLY 118 118 10137 1 . GLN 119 119 10137 1 . ASP 120 120 10137 1 . PHE 121 121 10137 1 . ARG 122 122 10137 1 . MET 123 123 10137 1 . ALA 124 124 10137 1 . THR 125 125 10137 1 . LEU 126 126 10137 1 . TYR 127 127 10137 1 . SER 128 128 10137 1 . ARG 129 129 10137 1 . THR 130 130 10137 1 . GLN 131 131 10137 1 . THR 132 132 10137 1 . LEU 133 133 10137 1 . LYS 134 134 10137 1 . ASP 135 135 10137 1 . GLU 136 136 10137 1 . LEU 137 137 10137 1 . LYS 138 138 10137 1 . GLU 139 139 10137 1 . LYS 140 140 10137 1 . PHE 141 141 10137 1 . THR 142 142 10137 1 . THR 143 143 10137 1 . PHE 144 144 10137 1 . SER 145 145 10137 1 . LYS 146 146 10137 1 . ALA 147 147 10137 1 . GLN 148 148 10137 1 . GLY 149 149 10137 1 . LEU 150 150 10137 1 . THR 151 151 10137 1 . GLU 152 152 10137 1 . GLU 153 153 10137 1 . ASP 154 154 10137 1 . ILE 155 155 10137 1 . VAL 156 156 10137 1 . PHE 157 157 10137 1 . LEU 158 158 10137 1 . PRO 159 159 10137 1 . GLN 160 160 10137 1 . PRO 161 161 10137 1 . ASP 162 162 10137 1 . LYS 163 163 10137 1 . CYS 164 164 10137 1 . ILE 165 165 10137 1 . GLN 166 166 10137 1 . GLU 167 167 10137 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10137 _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 $L-PGDS . 10090 organism . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10137 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 10137 _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 $L-PGDS . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pGEX-2T . . . . . . 10137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Lipocalin-type Prostaglandin D synthase' '[U-13C; U-15N]' . . 1 $L-PGDS . protein 1.0 . . mM 0.15 . . . 10137 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10137 _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 6.5 0.3 pH 10137 1 temperature 303 . K 10137 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 10137 _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 10137 _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 . . . 10137 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 10137 _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 1H15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 2 '2D 1H13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 8 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10137 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_L-PGDS_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode L-PGDS_reference _Chem_shift_reference.Entry_ID 10137 _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 . indirect 0.251449530 . . . . . . . . . 10137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 10137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 10137 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_L-PGDS_assigned_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode L-PGDS_assigned_chemical_shift _Assigned_chem_shift_list.Entry_ID 10137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $L-PGDS_reference _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 1H15N HSQC' 1 $sample_1 isotropic 10137 1 2 '2D 1H13C HSQC' 1 $sample_1 isotropic 10137 1 3 '3D HNCO' 1 $sample_1 isotropic 10137 1 4 '3D HNCA' 1 $sample_1 isotropic 10137 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 10137 1 6 '3D HNCACB' 1 $sample_1 isotropic 10137 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 10137 1 8 '3D HBHA(CBCACO)NH' 1 $sample_1 isotropic 10137 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 10137 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 36 36 LYS HA H 1 4.169 . . 1 . . . . 58 LYS HA . 10137 1 2 . 1 1 36 36 LYS CB C 13 32.582 . . 1 . . . . 58 LYS CB . 10137 1 3 . 1 1 36 36 LYS HB3 H 1 1.167 . . 2 . . . . 58 LYS HB2 . 10137 1 4 . 1 1 36 36 LYS HB2 H 1 1.546 . . 2 . . . . 58 LYS HB1 . 10137 1 5 . 1 1 36 36 LYS CG C 13 24.814 . . 1 . . . . 58 LYS CG . 10137 1 6 . 1 1 36 36 LYS CD C 13 28.439 . . 1 . . . . 58 LYS CD . 10137 1 7 . 1 1 36 36 LYS CE C 13 41.904 . . 1 . . . . 58 LYS CE . 10137 1 8 . 1 1 37 37 LYS N N 15 118.571 . . 1 . . . . 59 LYS N . 10137 1 9 . 1 1 37 37 LYS H H 1 7.492 . . 1 . . . . 59 LYS HN . 10137 1 10 . 1 1 37 37 LYS CA C 13 60.031 . . 1 . . . . 59 LYS CA . 10137 1 11 . 1 1 37 37 LYS HA H 1 3.347 . . 1 . . . . 59 LYS HA . 10137 1 12 . 1 1 37 37 LYS CB C 13 31.546 . . 1 . . . . 59 LYS CB . 10137 1 13 . 1 1 37 37 LYS HB3 H 1 1.077 . . 2 . . . . 59 LYS HB2 . 10137 1 14 . 1 1 37 37 LYS HB2 H 1 1.305 . . 2 . . . . 59 LYS HB1 . 10137 1 15 . 1 1 37 37 LYS CG C 13 23.778 . . 1 . . . . 59 LYS CG . 10137 1 16 . 1 1 37 37 LYS HG3 H 1 1.077 . . 2 . . . . 59 LYS HG2 . 10137 1 17 . 1 1 37 37 LYS HG2 H 1 1.135 . . 2 . . . . 59 LYS HG1 . 10137 1 18 . 1 1 37 37 LYS CD C 13 29.993 . . 1 . . . . 59 LYS CD . 10137 1 19 . 1 1 37 37 LYS HD2 H 1 1.454 . . 2 . . . . 59 LYS HD1 . 10137 1 20 . 1 1 37 37 LYS CE C 13 41.904 . . 1 . . . . 59 LYS CE . 10137 1 21 . 1 1 37 37 LYS HE3 H 1 2.901 . . 2 . . . . 59 LYS HE2 . 10137 1 22 . 1 1 37 37 LYS HE2 H 1 2.954 . . 2 . . . . 59 LYS HE1 . 10137 1 23 . 1 1 38 38 ALA N N 15 118.141 . . 1 . . . . 60 ALA N . 10137 1 24 . 1 1 38 38 ALA H H 1 7.949 . . 1 . . . . 60 ALA HN . 10137 1 25 . 1 1 38 38 ALA CA C 13 53.557 . . 1 . . . . 60 ALA CA . 10137 1 26 . 1 1 38 38 ALA HA H 1 4.188 . . 1 . . . . 60 ALA HA . 10137 1 27 . 1 1 38 38 ALA CB C 13 19.117 . . 1 . . . . 60 ALA CB . 10137 1 28 . 1 1 38 38 ALA HB1 H 1 1.375 . . 1 . . . . 60 ALA HB1 . 10137 1 29 . 1 1 38 38 ALA HB2 H 1 1.375 . . 1 . . . . 60 ALA HB1 . 10137 1 30 . 1 1 38 38 ALA HB3 H 1 1.375 . . 1 . . . . 60 ALA HB1 . 10137 1 31 . 1 1 39 39 VAL N N 15 110.323 . . 1 . . . . 61 VAL N . 10137 1 32 . 1 1 39 39 VAL H H 1 7.891 . . 1 . . . . 61 VAL HN . 10137 1 33 . 1 1 39 39 VAL CA C 13 59.917 . . 1 . . . . 61 VAL CA . 10137 1 34 . 1 1 39 39 VAL HA H 1 4.473 . . 1 . . . . 61 VAL HA . 10137 1 35 . 1 1 39 39 VAL CB C 13 31.778 . . 1 . . . . 61 VAL CB . 10137 1 36 . 1 1 39 39 VAL HB H 1 2.438 . . 1 . . . . 61 VAL HB . 10137 1 37 . 1 1 39 39 VAL CG2 C 13 19.117 . . 2 . . . . 61 VAL CG2 . 10137 1 38 . 1 1 39 39 VAL CG1 C 13 21.188 . . 2 . . . . 61 VAL CG1 . 10137 1 39 . 1 1 39 39 VAL HG11 H 1 0.861 . . 2 . . . . 61 VAL HG11 . 10137 1 40 . 1 1 39 39 VAL HG12 H 1 0.861 . . 2 . . . . 61 VAL HG11 . 10137 1 41 . 1 1 39 39 VAL HG13 H 1 0.861 . . 2 . . . . 61 VAL HG11 . 10137 1 42 . 1 1 40 40 LEU N N 15 121.405 . . 1 . . . . 62 LEU N . 10137 1 43 . 1 1 40 40 LEU H H 1 6.741 . . 1 . . . . 62 LEU HN . 10137 1 44 . 1 1 40 40 LEU CA C 13 54.334 . . 1 . . . . 62 LEU CA . 10137 1 45 . 1 1 40 40 LEU HA H 1 4.351 . . 1 . . . . 62 LEU HA . 10137 1 46 . 1 1 40 40 LEU CB C 13 42.94 . . 1 . . . . 62 LEU CB . 10137 1 47 . 1 1 40 40 LEU HB3 H 1 1.301 . . 2 . . . . 62 LEU HB2 . 10137 1 48 . 1 1 40 40 LEU HB2 H 1 1.51 . . 2 . . . . 62 LEU HB1 . 10137 1 49 . 1 1 40 40 LEU HG H 1 1.732 . . 1 . . . . 62 LEU HG . 10137 1 50 . 1 1 40 40 LEU CD1 C 13 22.224 . . 2 . . . . 62 LEU CD1 . 10137 1 51 . 1 1 40 40 LEU HD11 H 1 0.767 . . 2 . . . . 62 LEU HD11 . 10137 1 52 . 1 1 40 40 LEU HD12 H 1 0.767 . . 2 . . . . 62 LEU HD11 . 10137 1 53 . 1 1 40 40 LEU HD13 H 1 0.767 . . 2 . . . . 62 LEU HD11 . 10137 1 54 . 1 1 40 40 LEU CD2 C 13 26.367 . . 2 . . . . 62 LEU CD2 . 10137 1 55 . 1 1 40 40 LEU HD21 H 1 0.719 . . 2 . . . . 62 LEU HD21 . 10137 1 56 . 1 1 40 40 LEU HD22 H 1 0.719 . . 2 . . . . 62 LEU HD21 . 10137 1 57 . 1 1 40 40 LEU HD23 H 1 0.719 . . 2 . . . . 62 LEU HD21 . 10137 1 58 . 1 1 41 41 TYR N N 15 117.383 . . 1 . . . . 63 TYR N . 10137 1 59 . 1 1 41 41 TYR H H 1 7.813 . . 1 . . . . 63 TYR HN . 10137 1 60 . 1 1 41 41 TYR CA C 13 56.406 . . 1 . . . . 63 TYR CA . 10137 1 61 . 1 1 41 41 TYR HA H 1 4.794 . . 1 . . . . 63 TYR HA . 10137 1 62 . 1 1 41 41 TYR CB C 13 41.904 . . 1 . . . . 63 TYR CB . 10137 1 63 . 1 1 41 41 TYR HB3 H 1 2.643 . . 2 . . . . 63 TYR HB2 . 10137 1 64 . 1 1 41 41 TYR HB2 H 1 2.877 . . 2 . . . . 63 TYR HB1 . 10137 1 65 . 1 1 41 41 TYR HD1 H 1 7.043 . . 3 . . . . 63 TYR HD1 . 10137 1 66 . 1 1 41 41 TYR HE1 H 1 6.835 . . 3 . . . . 63 TYR HE1 . 10137 1 67 . 1 1 42 42 MET N N 15 121.075 . . 1 . . . . 64 MET N . 10137 1 68 . 1 1 42 42 MET H H 1 8.723 . . 1 . . . . 64 MET HN . 10137 1 69 . 1 1 42 42 MET CA C 13 57.86 . . 1 . . . . 64 MET CA . 10137 1 70 . 1 1 42 42 MET HA H 1 4.345 . . 1 . . . . 64 MET HA . 10137 1 71 . 1 1 42 42 MET CB C 13 36.725 . . 1 . . . . 64 MET CB . 10137 1 72 . 1 1 42 42 MET HB2 H 1 2.197 . . 2 . . . . 64 MET HB1 . 10137 1 73 . 1 1 43 43 CYS N N 15 126.404 . . 1 . . . . 65 CYS N . 10137 1 74 . 1 1 43 43 CYS H H 1 7.722 . . 1 . . . . 65 CYS HN . 10137 1 75 . 1 1 43 43 CYS CA C 13 58.961 . . 1 . . . . 65 CYS CA . 10137 1 76 . 1 1 43 43 CYS CB C 13 40.348 . . 1 . . . . 65 CYS CB . 10137 1 77 . 1 1 44 44 LYS CA C 13 56.262 . . 1 . . . . 66 LYS CA . 10137 1 78 . 1 1 44 44 LYS HA H 1 4.471 . . 1 . . . . 66 LYS HA . 10137 1 79 . 1 1 44 44 LYS CB C 13 34.408 . . 1 . . . . 66 LYS CB . 10137 1 80 . 1 1 44 44 LYS HB2 H 1 1.836 . . 2 . . . . 66 LYS HB1 . 10137 1 81 . 1 1 44 44 LYS CG C 13 29.223 . . 1 . . . . 66 LYS CG . 10137 1 82 . 1 1 44 44 LYS HG2 H 1 1.66 . . 2 . . . . 66 LYS HG1 . 10137 1 83 . 1 1 44 44 LYS CD C 13 24.814 . . 1 . . . . 66 LYS CD . 10137 1 84 . 1 1 44 44 LYS HD2 H 1 1.451 . . 2 . . . . 66 LYS HD1 . 10137 1 85 . 1 1 44 44 LYS HE2 H 1 2.907 . . 2 . . . . 66 LYS HE1 . 10137 1 86 . 1 1 45 45 THR N N 15 125.527 . . 1 . . . . 67 THR N . 10137 1 87 . 1 1 45 45 THR H H 1 9.338 . . 1 . . . . 67 THR HN . 10137 1 88 . 1 1 45 45 THR CA C 13 61.585 . . 1 . . . . 67 THR CA . 10137 1 89 . 1 1 45 45 THR HA H 1 5.012 . . 1 . . . . 67 THR HA . 10137 1 90 . 1 1 45 45 THR CB C 13 71.943 . . 1 . . . . 67 THR CB . 10137 1 91 . 1 1 45 45 THR HB H 1 3.422 . . 1 . . . . 67 THR HB . 10137 1 92 . 1 1 45 45 THR CG2 C 13 21.188 . . 1 . . . . 67 THR CG2 . 10137 1 93 . 1 1 45 45 THR HG21 H 1 1.086 . . 1 . . . . 67 THR HG21 . 10137 1 94 . 1 1 45 45 THR HG22 H 1 1.086 . . 1 . . . . 67 THR HG21 . 10137 1 95 . 1 1 45 45 THR HG23 H 1 1.086 . . 1 . . . . 67 THR HG21 . 10137 1 96 . 1 1 46 46 VAL N N 15 126.42 . . 1 . . . . 68 VAL N . 10137 1 97 . 1 1 46 46 VAL H H 1 8.918 . . 1 . . . . 68 VAL HN . 10137 1 98 . 1 1 46 46 VAL CA C 13 61.201 . . 1 . . . . 68 VAL CA . 10137 1 99 . 1 1 46 46 VAL HA H 1 4.453 . . 1 . . . . 68 VAL HA . 10137 1 100 . 1 1 46 46 VAL CB C 13 33.618 . . 1 . . . . 68 VAL CB . 10137 1 101 . 1 1 46 46 VAL HB H 1 1.868 . . 1 . . . . 68 VAL HB . 10137 1 102 . 1 1 46 46 VAL HG21 H 1 0.779 . . 2 . . . . 68 VAL HG21 . 10137 1 103 . 1 1 46 46 VAL HG22 H 1 0.779 . . 2 . . . . 68 VAL HG21 . 10137 1 104 . 1 1 46 46 VAL HG23 H 1 0.779 . . 2 . . . . 68 VAL HG21 . 10137 1 105 . 1 1 46 46 VAL CG1 C 13 21.439 . . 2 . . . . 68 VAL CG1 . 10137 1 106 . 1 1 46 46 VAL HG11 H 1 0.856 . . 2 . . . . 68 VAL HG11 . 10137 1 107 . 1 1 46 46 VAL HG12 H 1 0.856 . . 2 . . . . 68 VAL HG11 . 10137 1 108 . 1 1 46 46 VAL HG13 H 1 0.856 . . 2 . . . . 68 VAL HG11 . 10137 1 109 . 1 1 47 47 VAL N N 15 130.551 . . 1 . . . . 69 VAL N . 10137 1 110 . 1 1 47 47 VAL H H 1 9.309 . . 1 . . . . 69 VAL HN . 10137 1 111 . 1 1 47 47 VAL CA C 13 61.585 . . 1 . . . . 69 VAL CA . 10137 1 112 . 1 1 47 47 VAL HA H 1 4.671 . . 1 . . . . 69 VAL HA . 10137 1 113 . 1 1 47 47 VAL CB C 13 32.582 . . 1 . . . . 69 VAL CB . 10137 1 114 . 1 1 47 47 VAL HB H 1 2.235 . . 1 . . . . 69 VAL HB . 10137 1 115 . 1 1 47 47 VAL CG2 C 13 21.188 . . 2 . . . . 69 VAL CG2 . 10137 1 116 . 1 1 47 47 VAL HG21 H 1 0.647 . . 2 . . . . 69 VAL HG21 . 10137 1 117 . 1 1 47 47 VAL HG22 H 1 0.647 . . 2 . . . . 69 VAL HG21 . 10137 1 118 . 1 1 47 47 VAL HG23 H 1 0.647 . . 2 . . . . 69 VAL HG21 . 10137 1 119 . 1 1 47 47 VAL CG1 C 13 23.778 . . 2 . . . . 69 VAL CG1 . 10137 1 120 . 1 1 47 47 VAL HG11 H 1 0.851 . . 2 . . . . 69 VAL HG11 . 10137 1 121 . 1 1 47 47 VAL HG12 H 1 0.851 . . 2 . . . . 69 VAL HG11 . 10137 1 122 . 1 1 47 47 VAL HG13 H 1 0.851 . . 2 . . . . 69 VAL HG11 . 10137 1 123 . 1 1 48 48 ALA N N 15 133.818 . . 1 . . . . 70 ALA N . 10137 1 124 . 1 1 48 48 ALA H H 1 9.261 . . 1 . . . . 70 ALA HN . 10137 1 125 . 1 1 48 48 ALA CA C 13 49.673 . . 1 . . . . 70 ALA CA . 10137 1 126 . 1 1 48 48 ALA HA H 1 5.078 . . 1 . . . . 70 ALA HA . 10137 1 127 . 1 1 48 48 ALA CB C 13 21.188 . . 1 . . . . 70 ALA CB . 10137 1 128 . 1 1 48 48 ALA HB1 H 1 1.461 . . 1 . . . . 70 ALA HB1 . 10137 1 129 . 1 1 48 48 ALA HB2 H 1 1.461 . . 1 . . . . 70 ALA HB1 . 10137 1 130 . 1 1 48 48 ALA HB3 H 1 1.461 . . 1 . . . . 70 ALA HB1 . 10137 1 131 . 1 1 49 49 PRO CA C 13 62.621 . . 1 . . . . 71 PRO CA . 10137 1 132 . 1 1 49 49 PRO HA H 1 4.819 . . 1 . . . . 71 PRO HA . 10137 1 133 . 1 1 49 49 PRO CB C 13 32.064 . . 1 . . . . 71 PRO CB . 10137 1 134 . 1 1 49 49 PRO HB3 H 1 1.981 . . 2 . . . . 71 PRO HB2 . 10137 1 135 . 1 1 49 49 PRO HB2 H 1 2.4 . . 2 . . . . 71 PRO HB1 . 10137 1 136 . 1 1 49 49 PRO CG C 13 27.403 . . 1 . . . . 71 PRO CG . 10137 1 137 . 1 1 49 49 PRO HG3 H 1 2.059 . . 2 . . . . 71 PRO HG2 . 10137 1 138 . 1 1 49 49 PRO HG2 H 1 2.21 . . 2 . . . . 71 PRO HG1 . 10137 1 139 . 1 1 49 49 PRO CD C 13 50.191 . . 1 . . . . 71 PRO CD . 10137 1 140 . 1 1 49 49 PRO HD3 H 1 4.415 . . 2 . . . . 71 PRO HD2 . 10137 1 141 . 1 1 49 49 PRO HD2 H 1 4.493 . . 2 . . . . 71 PRO HD1 . 10137 1 142 . 1 1 50 50 SER N N 15 117.722 . . 1 . . . . 72 SER N . 10137 1 143 . 1 1 50 50 SER H H 1 8.032 . . 1 . . . . 72 SER HN . 10137 1 144 . 1 1 50 50 SER CA C 13 55.37 . . 1 . . . . 72 SER CA . 10137 1 145 . 1 1 50 50 SER HA H 1 4.883 . . 1 . . . . 72 SER HA . 10137 1 146 . 1 1 50 50 SER CB C 13 65.21 . . 1 . . . . 72 SER CB . 10137 1 147 . 1 1 50 50 SER HB3 H 1 3.456 . . 2 . . . . 72 SER HB2 . 10137 1 148 . 1 1 50 50 SER HB2 H 1 4.107 . . 2 . . . . 72 SER HB1 . 10137 1 149 . 1 1 51 51 THR CA C 13 68.318 . . 1 . . . . 73 THR CA . 10137 1 150 . 1 1 51 51 THR HA H 1 4.31 . . 1 . . . . 73 THR HA . 10137 1 151 . 1 1 51 51 THR CB C 13 64.692 . . 1 . . . . 73 THR CB . 10137 1 152 . 1 1 51 51 THR HB H 1 4.107 . . 1 . . . . 73 THR HB . 10137 1 153 . 1 1 51 51 THR CG2 C 13 21.965 . . 1 . . . . 73 THR CG2 . 10137 1 154 . 1 1 51 51 THR HG21 H 1 1.308 . . 1 . . . . 73 THR HG21 . 10137 1 155 . 1 1 51 51 THR HG22 H 1 1.308 . . 1 . . . . 73 THR HG21 . 10137 1 156 . 1 1 51 51 THR HG23 H 1 1.308 . . 1 . . . . 73 THR HG21 . 10137 1 157 . 1 1 52 52 GLU N N 15 118.417 . . 1 . . . . 74 GLU N . 10137 1 158 . 1 1 52 52 GLU H H 1 8.192 . . 1 . . . . 74 GLU HN . 10137 1 159 . 1 1 52 52 GLU CA C 13 56.391 . . 1 . . . . 74 GLU CA . 10137 1 160 . 1 1 52 52 GLU HA H 1 4.432 . . 1 . . . . 74 GLU HA . 10137 1 161 . 1 1 52 52 GLU CB C 13 29.475 . . 1 . . . . 74 GLU CB . 10137 1 162 . 1 1 52 52 GLU HB3 H 1 2.024 . . 2 . . . . 74 GLU HB2 . 10137 1 163 . 1 1 52 52 GLU HB2 H 1 2.273 . . 2 . . . . 74 GLU HB1 . 10137 1 164 . 1 1 52 52 GLU CG C 13 36.207 . . 1 . . . . 74 GLU CG . 10137 1 165 . 1 1 52 52 GLU HG2 H 1 2.309 . . 2 . . . . 74 GLU HG1 . 10137 1 166 . 1 1 53 53 GLY N N 15 106.527 . . 1 . . . . 75 GLY N . 10137 1 167 . 1 1 53 53 GLY H H 1 7.747 . . 1 . . . . 75 GLY HN . 10137 1 168 . 1 1 53 53 GLY CA C 13 45.224 . . 1 . . . . 75 GLY CA . 10137 1 169 . 1 1 53 53 GLY HA3 H 1 3.863 . . 2 . . . . 75 GLY HA2 . 10137 1 170 . 1 1 53 53 GLY HA2 H 1 4.432 . . 2 . . . . 75 GLY HA1 . 10137 1 171 . 1 1 54 54 GLY N N 15 108.562 . . 1 . . . . 76 GLY N . 10137 1 172 . 1 1 54 54 GLY H H 1 7.771 . . 1 . . . . 76 GLY HN . 10137 1 173 . 1 1 54 54 GLY CA C 13 43.823 . . 1 . . . . 76 GLY CA . 10137 1 174 . 1 1 54 54 GLY HA3 H 1 4.149 . . 2 . . . . 76 GLY HA2 . 10137 1 175 . 1 1 54 54 GLY HA2 H 1 4.68 . . 2 . . . . 76 GLY HA1 . 10137 1 176 . 1 1 55 55 LEU N N 15 120.282 . . 1 . . . . 77 LEU N . 10137 1 177 . 1 1 55 55 LEU H H 1 8.309 . . 1 . . . . 77 LEU HN . 10137 1 178 . 1 1 55 55 LEU CA C 13 53.298 . . 1 . . . . 77 LEU CA . 10137 1 179 . 1 1 55 55 LEU HA H 1 5.085 . . 1 . . . . 77 LEU HA . 10137 1 180 . 1 1 55 55 LEU CB C 13 47.601 . . 1 . . . . 77 LEU CB . 10137 1 181 . 1 1 55 55 LEU HB3 H 1 1.099 . . 2 . . . . 77 LEU HB2 . 10137 1 182 . 1 1 55 55 LEU HB2 H 1 1.279 . . 2 . . . . 77 LEU HB1 . 10137 1 183 . 1 1 55 55 LEU CD1 C 13 23.778 . . 2 . . . . 77 LEU CD1 . 10137 1 184 . 1 1 55 55 LEU HD11 H 1 0.768 . . 2 . . . . 77 LEU HD11 . 10137 1 185 . 1 1 55 55 LEU HD12 H 1 0.768 . . 2 . . . . 77 LEU HD11 . 10137 1 186 . 1 1 55 55 LEU HD13 H 1 0.768 . . 2 . . . . 77 LEU HD11 . 10137 1 187 . 1 1 55 55 LEU CD2 C 13 25.331 . . 2 . . . . 77 LEU CD2 . 10137 1 188 . 1 1 55 55 LEU HD21 H 1 0.631 . . 2 . . . . 77 LEU HD21 . 10137 1 189 . 1 1 55 55 LEU HD22 H 1 0.631 . . 2 . . . . 77 LEU HD21 . 10137 1 190 . 1 1 55 55 LEU HD23 H 1 0.631 . . 2 . . . . 77 LEU HD21 . 10137 1 191 . 1 1 56 56 ASN N N 15 119.858 . . 1 . . . . 78 ASN N . 10137 1 192 . 1 1 56 56 ASN H H 1 9.402 . . 1 . . . . 78 ASN HN . 10137 1 193 . 1 1 56 56 ASN CA C 13 52.181 . . 1 . . . . 78 ASN CA . 10137 1 194 . 1 1 56 56 ASN HA H 1 5.165 . . 1 . . . . 78 ASN HA . 10137 1 195 . 1 1 56 56 ASN CB C 13 40.869 . . 1 . . . . 78 ASN CB . 10137 1 196 . 1 1 56 56 ASN HB2 H 1 2.46 . . 2 . . . . 78 ASN HB1 . 10137 1 197 . 1 1 57 57 LEU N N 15 127.212 . . 1 . . . . 79 LEU N . 10137 1 198 . 1 1 57 57 LEU H H 1 9.286 . . 1 . . . . 79 LEU HN . 10137 1 199 . 1 1 57 57 LEU CA C 13 54.334 . . 1 . . . . 79 LEU CA . 10137 1 200 . 1 1 57 57 LEU HA H 1 5.366 . . 1 . . . . 79 LEU HA . 10137 1 201 . 1 1 57 57 LEU CB C 13 42.933 . . 1 . . . . 79 LEU CB . 10137 1 202 . 1 1 57 57 LEU HB2 H 1 1.417 . . 2 . . . . 79 LEU HB1 . 10137 1 203 . 1 1 58 58 THR N N 15 121.598 . . 1 . . . . 80 THR N . 10137 1 204 . 1 1 58 58 THR H H 1 8.865 . . 1 . . . . 80 THR HN . 10137 1 205 . 1 1 58 58 THR CA C 13 61.946 . . 1 . . . . 80 THR CA . 10137 1 206 . 1 1 58 58 THR HA H 1 5.001 . . 1 . . . . 80 THR HA . 10137 1 207 . 1 1 58 58 THR CB C 13 69.353 . . 1 . . . . 80 THR CB . 10137 1 208 . 1 1 58 58 THR HB H 1 4.007 . . 1 . . . . 80 THR HB . 10137 1 209 . 1 1 58 58 THR CG2 C 13 21.212 . . 1 . . . . 80 THR CG2 . 10137 1 210 . 1 1 58 58 THR HG21 H 1 1.086 . . 1 . . . . 80 THR HG21 . 10137 1 211 . 1 1 58 58 THR HG22 H 1 1.086 . . 1 . . . . 80 THR HG21 . 10137 1 212 . 1 1 58 58 THR HG23 H 1 1.086 . . 1 . . . . 80 THR HG21 . 10137 1 213 . 1 1 59 59 SER N N 15 125.683 . . 1 . . . . 81 SER N . 10137 1 214 . 1 1 59 59 SER H H 1 9.442 . . 1 . . . . 81 SER HN . 10137 1 215 . 1 1 59 59 SER CA C 13 57.609 . . 1 . . . . 81 SER CA . 10137 1 216 . 1 1 59 59 SER HA H 1 4.807 . . 1 . . . . 81 SER HA . 10137 1 217 . 1 1 59 59 SER CB C 13 65.352 . . 1 . . . . 81 SER CB . 10137 1 218 . 1 1 59 59 SER HB3 H 1 3.462 . . 2 . . . . 81 SER HB2 . 10137 1 219 . 1 1 59 59 SER HB2 H 1 4.101 . . 2 . . . . 81 SER HB1 . 10137 1 220 . 1 1 60 60 THR N N 15 118.993 . . 1 . . . . 82 THR N . 10137 1 221 . 1 1 60 60 THR H H 1 8.66 . . 1 . . . . 82 THR HN . 10137 1 222 . 1 1 60 60 THR CA C 13 61.067 . . 1 . . . . 82 THR CA . 10137 1 223 . 1 1 60 60 THR HA H 1 5.035 . . 1 . . . . 82 THR HA . 10137 1 224 . 1 1 60 60 THR CB C 13 70.389 . . 1 . . . . 82 THR CB . 10137 1 225 . 1 1 60 60 THR HB H 1 3.981 . . 1 . . . . 82 THR HB . 10137 1 226 . 1 1 60 60 THR CG2 C 13 21.706 . . 1 . . . . 82 THR CG2 . 10137 1 227 . 1 1 60 60 THR HG21 H 1 1.179 . . 1 . . . . 82 THR HG21 . 10137 1 228 . 1 1 60 60 THR HG22 H 1 1.179 . . 1 . . . . 82 THR HG21 . 10137 1 229 . 1 1 60 60 THR HG23 H 1 1.179 . . 1 . . . . 82 THR HG21 . 10137 1 230 . 1 1 61 61 PHE N N 15 125.167 . . 1 . . . . 83 PHE N . 10137 1 231 . 1 1 61 61 PHE H H 1 8.92 . . 1 . . . . 83 PHE HN . 10137 1 232 . 1 1 61 61 PHE CA C 13 56.771 . . 1 . . . . 83 PHE CA . 10137 1 233 . 1 1 61 61 PHE HA H 1 4.921 . . 1 . . . . 83 PHE HA . 10137 1 234 . 1 1 61 61 PHE CB C 13 40.869 . . 1 . . . . 83 PHE CB . 10137 1 235 . 1 1 61 61 PHE HB3 H 1 3.113 . . 2 . . . . 83 PHE HB2 . 10137 1 236 . 1 1 61 61 PHE HB2 H 1 3.219 . . 2 . . . . 83 PHE HB1 . 10137 1 237 . 1 1 61 61 PHE HD1 H 1 7.2 . . 3 . . . . 83 PHE HD1 . 10137 1 238 . 1 1 61 61 PHE HE1 H 1 7.2 . . 3 . . . . 83 PHE HE1 . 10137 1 239 . 1 1 62 62 LEU N N 15 123.491 . . 1 . . . . 84 LEU N . 10137 1 240 . 1 1 62 62 LEU H H 1 8.491 . . 1 . . . . 84 LEU HN . 10137 1 241 . 1 1 62 62 LEU CA C 13 54.357 . . 1 . . . . 84 LEU CA . 10137 1 242 . 1 1 62 62 LEU HA H 1 4.69 . . 1 . . . . 84 LEU HA . 10137 1 243 . 1 1 62 62 LEU CB C 13 42.94 . . 1 . . . . 84 LEU CB . 10137 1 244 . 1 1 62 62 LEU HB3 H 1 1.57 . . 2 . . . . 84 LEU HB2 . 10137 1 245 . 1 1 62 62 LEU HB2 H 1 1.65 . . 2 . . . . 84 LEU HB1 . 10137 1 246 . 1 1 62 62 LEU CG C 13 27.403 . . 1 . . . . 84 LEU CG . 10137 1 247 . 1 1 62 62 LEU CD1 C 13 25.331 . . 1 . . . . 84 LEU CD1 . 10137 1 248 . 1 1 62 62 LEU HD11 H 1 0.859 . . 2 . . . . 84 LEU HD11 . 10137 1 249 . 1 1 62 62 LEU HD12 H 1 0.859 . . 2 . . . . 84 LEU HD11 . 10137 1 250 . 1 1 62 62 LEU HD13 H 1 0.859 . . 2 . . . . 84 LEU HD11 . 10137 1 251 . 1 1 62 62 LEU CD2 C 13 23.778 . . 1 . . . . 84 LEU CD2 . 10137 1 252 . 1 1 62 62 LEU HD21 H 1 0.821 . . 2 . . . . 84 LEU HD21 . 10137 1 253 . 1 1 62 62 LEU HD22 H 1 0.821 . . 2 . . . . 84 LEU HD21 . 10137 1 254 . 1 1 62 62 LEU HD23 H 1 0.821 . . 2 . . . . 84 LEU HD21 . 10137 1 255 . 1 1 63 63 ARG N N 15 122.718 . . 1 . . . . 85 ARG N . 10137 1 256 . 1 1 63 63 ARG H H 1 8.311 . . 1 . . . . 85 ARG HN . 10137 1 257 . 1 1 63 63 ARG CA C 13 55.575 . . 1 . . . . 85 ARG CA . 10137 1 258 . 1 1 63 63 ARG HA H 1 4.334 . . 1 . . . . 85 ARG HA . 10137 1 259 . 1 1 63 63 ARG CB C 13 32.157 . . 1 . . . . 85 ARG CB . 10137 1 260 . 1 1 64 64 LYS HA H 1 3.921 . . 1 . . . . 86 LYS HA . 10137 1 261 . 1 1 65 65 ASN N N 15 114.644 . . 1 . . . . 87 ASN N . 10137 1 262 . 1 1 65 65 ASN H H 1 8.588 . . 1 . . . . 87 ASN HN . 10137 1 263 . 1 1 65 65 ASN CA C 13 53.816 . . 1 . . . . 87 ASN CA . 10137 1 264 . 1 1 65 65 ASN HA H 1 4.473 . . 1 . . . . 87 ASN HA . 10137 1 265 . 1 1 65 65 ASN CB C 13 38.279 . . 1 . . . . 87 ASN CB . 10137 1 266 . 1 1 65 65 ASN HB2 H 1 2.903 . . 2 . . . . 87 ASN HB1 . 10137 1 267 . 1 1 66 66 GLN CA C 13 55.26 . . 1 . . . . 88 GLN CA . 10137 1 268 . 1 1 66 66 GLN HA H 1 4.52 . . 1 . . . . 88 GLN HA . 10137 1 269 . 1 1 66 66 GLN CB C 13 32.064 . . 1 . . . . 88 GLN CB . 10137 1 270 . 1 1 66 66 GLN HB2 H 1 2.33 . . 2 . . . . 88 GLN HB1 . 10137 1 271 . 1 1 66 66 GLN CG C 13 27.403 . . 1 . . . . 88 GLN CG . 10137 1 272 . 1 1 66 66 GLN HG2 H 1 2.001 . . 2 . . . . 88 GLN HG1 . 10137 1 273 . 1 1 67 67 CYS N N 15 125.995 . . 1 . . . . 89 CYS N . 10137 1 274 . 1 1 67 67 CYS H H 1 8.477 . . 1 . . . . 89 CYS HN . 10137 1 275 . 1 1 67 67 CYS CA C 13 52.272 . . 1 . . . . 89 CYS CA . 10137 1 276 . 1 1 67 67 CYS HA H 1 4.758 . . 1 . . . . 89 CYS HA . 10137 1 277 . 1 1 67 67 CYS CB C 13 19.615 . . 1 . . . . 89 CYS CB . 10137 1 278 . 1 1 67 67 CYS HB2 H 1 1.301 . . 1 . . . . 89 CYS HB1 . 10137 1 279 . 1 1 68 68 GLU N N 15 122.959 . . 1 . . . . 90 GLU N . 10137 1 280 . 1 1 68 68 GLU H H 1 8.661 . . 1 . . . . 90 GLU HN . 10137 1 281 . 1 1 68 68 GLU CA C 13 55.37 . . 1 . . . . 90 GLU CA . 10137 1 282 . 1 1 68 68 GLU HA H 1 4.553 . . 1 . . . . 90 GLU HA . 10137 1 283 . 1 1 68 68 GLU CB C 13 32.064 . . 1 . . . . 90 GLU CB . 10137 1 284 . 1 1 68 68 GLU HB3 H 1 1.828 . . 2 . . . . 90 GLU HB2 . 10137 1 285 . 1 1 68 68 GLU HB2 H 1 1.95 . . 2 . . . . 90 GLU HB1 . 10137 1 286 . 1 1 68 68 GLU CG C 13 36.207 . . 1 . . . . 90 GLU CG . 10137 1 287 . 1 1 68 68 GLU HG2 H 1 2.153 . . 2 . . . . 90 GLU HG1 . 10137 1 288 . 1 1 69 69 THR N N 15 118.526 . . 1 . . . . 91 THR N . 10137 1 289 . 1 1 69 69 THR H H 1 8.523 . . 1 . . . . 91 THR HN . 10137 1 290 . 1 1 69 69 THR CA C 13 61.067 . . 1 . . . . 91 THR CA . 10137 1 291 . 1 1 69 69 THR HA H 1 5.234 . . 1 . . . . 91 THR HA . 10137 1 292 . 1 1 69 69 THR CB C 13 70.907 . . 1 . . . . 91 THR CB . 10137 1 293 . 1 1 69 69 THR HB H 1 3.92 . . 1 . . . . 91 THR HB . 10137 1 294 . 1 1 69 69 THR CG2 C 13 21.706 . . 1 . . . . 91 THR CG2 . 10137 1 295 . 1 1 69 69 THR HG21 H 1 1.105 . . 1 . . . . 91 THR HG21 . 10137 1 296 . 1 1 69 69 THR HG22 H 1 1.105 . . 1 . . . . 91 THR HG21 . 10137 1 297 . 1 1 69 69 THR HG23 H 1 1.105 . . 1 . . . . 91 THR HG21 . 10137 1 298 . 1 1 70 70 LYS N N 15 125.983 . . 1 . . . . 92 LYS N . 10137 1 299 . 1 1 70 70 LYS H H 1 8.962 . . 1 . . . . 92 LYS HN . 10137 1 300 . 1 1 70 70 LYS CA C 13 54.837 . . 1 . . . . 92 LYS CA . 10137 1 301 . 1 1 70 70 LYS HA H 1 4.479 . . 1 . . . . 92 LYS HA . 10137 1 302 . 1 1 70 70 LYS CB C 13 35.891 . . 1 . . . . 92 LYS CB . 10137 1 303 . 1 1 70 70 LYS HB3 H 1 1.757 . . 2 . . . . 92 LYS HB2 . 10137 1 304 . 1 1 70 70 LYS HB2 H 1 1.836 . . 2 . . . . 92 LYS HB1 . 10137 1 305 . 1 1 70 70 LYS CG C 13 24.814 . . 1 . . . . 92 LYS CG . 10137 1 306 . 1 1 70 70 LYS HG2 H 1 1.487 . . 2 . . . . 92 LYS HG1 . 10137 1 307 . 1 1 70 70 LYS CD C 13 28.957 . . 1 . . . . 92 LYS CD . 10137 1 308 . 1 1 70 70 LYS HD2 H 1 1.671 . . 2 . . . . 92 LYS HD1 . 10137 1 309 . 1 1 70 70 LYS CE C 13 41.904 . . 1 . . . . 92 LYS CE . 10137 1 310 . 1 1 70 70 LYS HE2 H 1 3.128 . . 2 . . . . 92 LYS HE1 . 10137 1 311 . 1 1 71 71 ILE CA C 13 60.031 . . 1 . . . . 93 ILE CA . 10137 1 312 . 1 1 71 71 ILE HA H 1 5.002 . . 1 . . . . 93 ILE HA . 10137 1 313 . 1 1 71 71 ILE CB C 13 40.351 . . 1 . . . . 93 ILE CB . 10137 1 314 . 1 1 71 71 ILE HB H 1 1.674 . . 1 . . . . 93 ILE HB . 10137 1 315 . 1 1 71 71 ILE CG1 C 13 27.921 . . 1 . . . . 93 ILE CG1 . 10137 1 316 . 1 1 71 71 ILE HG13 H 1 1.153 . . 4 . . . . 93 ILE HG12 . 10137 1 317 . 1 1 71 71 ILE HG12 H 1 1.472 . . 4 . . . . 93 ILE HG11 . 10137 1 318 . 1 1 71 71 ILE CD1 C 13 13.938 . . 1 . . . . 93 ILE CD1 . 10137 1 319 . 1 1 71 71 ILE HD11 H 1 0.771 . . 1 . . . . 93 ILE HD11 . 10137 1 320 . 1 1 71 71 ILE HD12 H 1 0.771 . . 1 . . . . 93 ILE HD11 . 10137 1 321 . 1 1 71 71 ILE HD13 H 1 0.771 . . 1 . . . . 93 ILE HD11 . 10137 1 322 . 1 1 71 71 ILE CG2 C 13 17.563 . . 1 . . . . 93 ILE CG2 . 10137 1 323 . 1 1 71 71 ILE HG21 H 1 0.833 . . 4 . . . . 93 ILE HG21 . 10137 1 324 . 1 1 71 71 ILE HG22 H 1 0.833 . . 4 . . . . 93 ILE HG21 . 10137 1 325 . 1 1 71 71 ILE HG23 H 1 0.833 . . 4 . . . . 93 ILE HG21 . 10137 1 326 . 1 1 72 72 MET N N 15 127.538 . . 1 . . . . 94 MET N . 10137 1 327 . 1 1 72 72 MET H H 1 8.938 . . 1 . . . . 94 MET HN . 10137 1 328 . 1 1 72 72 MET CA C 13 54.85 . . 1 . . . . 94 MET CA . 10137 1 329 . 1 1 72 72 MET HA H 1 4.699 . . 1 . . . . 94 MET HA . 10137 1 330 . 1 1 72 72 MET CB C 13 36.725 . . 1 . . . . 94 MET CB . 10137 1 331 . 1 1 72 72 MET HB3 H 1 1.748 . . 2 . . . . 94 MET HB2 . 10137 1 332 . 1 1 72 72 MET HB2 H 1 1.82 . . 2 . . . . 94 MET HB1 . 10137 1 333 . 1 1 72 72 MET CG C 13 31.505 . . 1 . . . . 94 MET CG . 10137 1 334 . 1 1 72 72 MET HG2 H 1 2.095 . . 2 . . . . 94 MET HG1 . 10137 1 335 . 1 1 73 73 VAL N N 15 125.991 . . 1 . . . . 95 VAL N . 10137 1 336 . 1 1 73 73 VAL H H 1 8.532 . . 1 . . . . 95 VAL HN . 10137 1 337 . 1 1 73 73 VAL CA C 13 62.139 . . 1 . . . . 95 VAL CA . 10137 1 338 . 1 1 73 73 VAL HA H 1 4.677 . . 1 . . . . 95 VAL HA . 10137 1 339 . 1 1 73 73 VAL CB C 13 32.922 . . 1 . . . . 95 VAL CB . 10137 1 340 . 1 1 73 73 VAL HB H 1 2.058 . . 1 . . . . 95 VAL HB . 10137 1 341 . 1 1 73 73 VAL CG2 C 13 21.175 . . 1 . . . . 95 VAL CG2 . 10137 1 342 . 1 1 73 73 VAL HG21 H 1 0.953 . . 2 . . . . 95 VAL HG21 . 10137 1 343 . 1 1 73 73 VAL HG22 H 1 0.953 . . 2 . . . . 95 VAL HG21 . 10137 1 344 . 1 1 73 73 VAL HG23 H 1 0.953 . . 2 . . . . 95 VAL HG21 . 10137 1 345 . 1 1 73 73 VAL CG1 C 13 21.229 . . 1 . . . . 95 VAL CG1 . 10137 1 346 . 1 1 73 73 VAL HG11 H 1 1.002 . . 2 . . . . 95 VAL HG11 . 10137 1 347 . 1 1 73 73 VAL HG12 H 1 1.002 . . 2 . . . . 95 VAL HG11 . 10137 1 348 . 1 1 73 73 VAL HG13 H 1 1.002 . . 2 . . . . 95 VAL HG11 . 10137 1 349 . 1 1 74 74 LEU N N 15 128.064 . . 1 . . . . 96 LEU N . 10137 1 350 . 1 1 74 74 LEU H H 1 9.297 . . 1 . . . . 96 LEU HN . 10137 1 351 . 1 1 74 74 LEU CA C 13 52.78 . . 1 . . . . 96 LEU CA . 10137 1 352 . 1 1 74 74 LEU HA H 1 5.043 . . 1 . . . . 96 LEU HA . 10137 1 353 . 1 1 74 74 LEU CB C 13 42.422 . . 1 . . . . 96 LEU CB . 10137 1 354 . 1 1 74 74 LEU HB2 H 1 1.387 . . 2 . . . . 96 LEU HB1 . 10137 1 355 . 1 1 74 74 LEU CG C 13 27.921 . . 1 . . . . 96 LEU CG . 10137 1 356 . 1 1 74 74 LEU CD1 C 13 25.806 . . 1 . . . . 96 LEU CD1 . 10137 1 357 . 1 1 74 74 LEU HD11 H 1 0.578 . . 2 . . . . 96 LEU HD11 . 10137 1 358 . 1 1 74 74 LEU HD12 H 1 0.578 . . 2 . . . . 96 LEU HD11 . 10137 1 359 . 1 1 74 74 LEU HD13 H 1 0.578 . . 2 . . . . 96 LEU HD11 . 10137 1 360 . 1 1 74 74 LEU CD2 C 13 24.296 . . 1 . . . . 96 LEU CD2 . 10137 1 361 . 1 1 74 74 LEU HD21 H 1 0.35 . . 2 . . . . 96 LEU HD21 . 10137 1 362 . 1 1 74 74 LEU HD22 H 1 0.35 . . 2 . . . . 96 LEU HD21 . 10137 1 363 . 1 1 74 74 LEU HD23 H 1 0.35 . . 2 . . . . 96 LEU HD21 . 10137 1 364 . 1 1 75 75 GLN N N 15 125.206 . . 1 . . . . 97 GLN N . 10137 1 365 . 1 1 75 75 GLN H H 1 9.38 . . 1 . . . . 97 GLN HN . 10137 1 366 . 1 1 75 75 GLN CA C 13 52.78 . . 1 . . . . 97 GLN CA . 10137 1 367 . 1 1 75 75 GLN HA H 1 5.013 . . 1 . . . . 97 GLN HA . 10137 1 368 . 1 1 75 75 GLN CB C 13 29.475 . . 1 . . . . 97 GLN CB . 10137 1 369 . 1 1 75 75 GLN HB3 H 1 2.083 . . 2 . . . . 97 GLN HB2 . 10137 1 370 . 1 1 75 75 GLN HB2 H 1 2.148 . . 2 . . . . 97 GLN HB1 . 10137 1 371 . 1 1 75 75 GLN CG C 13 33.618 . . 1 . . . . 97 GLN CG . 10137 1 372 . 1 1 75 75 GLN HG2 H 1 2.438 . . 2 . . . . 97 GLN HG1 . 10137 1 373 . 1 1 76 76 PRO CA C 13 64.174 . . 1 . . . . 98 PRO CA . 10137 1 374 . 1 1 76 76 PRO HA H 1 4.31 . . 1 . . . . 98 PRO HA . 10137 1 375 . 1 1 76 76 PRO CB C 13 32.064 . . 1 . . . . 98 PRO CB . 10137 1 376 . 1 1 76 76 PRO HB3 H 1 2.053 . . 2 . . . . 98 PRO HB2 . 10137 1 377 . 1 1 76 76 PRO HB2 H 1 2.424 . . 2 . . . . 98 PRO HB1 . 10137 1 378 . 1 1 76 76 PRO CG C 13 26.885 . . 1 . . . . 98 PRO CG . 10137 1 379 . 1 1 76 76 PRO HG3 H 1 1.659 . . 2 . . . . 98 PRO HG2 . 10137 1 380 . 1 1 76 76 PRO HG2 H 1 2.213 . . 2 . . . . 98 PRO HG1 . 10137 1 381 . 1 1 76 76 PRO CD C 13 51.227 . . 1 . . . . 98 PRO CD . 10137 1 382 . 1 1 76 76 PRO HD3 H 1 3.818 . . 2 . . . . 98 PRO HD2 . 10137 1 383 . 1 1 76 76 PRO HD2 H 1 3.857 . . 2 . . . . 98 PRO HD1 . 10137 1 384 . 1 1 77 77 ALA N N 15 126.828 . . 1 . . . . 99 ALA N . 10137 1 385 . 1 1 77 77 ALA H H 1 8.141 . . 1 . . . . 99 ALA HN . 10137 1 386 . 1 1 77 77 ALA CA C 13 50.709 . . 1 . . . . 99 ALA CA . 10137 1 387 . 1 1 77 77 ALA HA H 1 4.677 . . 1 . . . . 99 ALA HA . 10137 1 388 . 1 1 77 77 ALA CB C 13 20.152 . . 1 . . . . 99 ALA CB . 10137 1 389 . 1 1 77 77 ALA HB1 H 1 1.095 . . 1 . . . . 99 ALA HB1 . 10137 1 390 . 1 1 77 77 ALA HB2 H 1 1.095 . . 1 . . . . 99 ALA HB2 . 10137 1 391 . 1 1 77 77 ALA HB3 H 1 1.095 . . 1 . . . . 99 ALA HB2 . 10137 1 392 . 1 1 78 78 GLY N N 15 108.562 . . 1 . . . . 100 GLY N . 10137 1 393 . 1 1 78 78 GLY H H 1 8.018 . . 1 . . . . 100 GLY HN . 10137 1 394 . 1 1 78 78 GLY CA C 13 45.78 . . 1 . . . . 100 GLY CA . 10137 1 395 . 1 1 78 78 GLY HA3 H 1 3.578 . . 2 . . . . 100 GLY HA2 . 10137 1 396 . 1 1 78 78 GLY HA2 H 1 4.188 . . 2 . . . . 100 GLY HA1 . 10137 1 397 . 1 1 79 79 ALA N N 15 126.841 . . 1 . . . . 101 ALA N . 10137 1 398 . 1 1 79 79 ALA H H 1 8.088 . . 1 . . . . 101 ALA HN . 10137 1 399 . 1 1 79 79 ALA CA C 13 50.191 . . 1 . . . . 101 ALA CA . 10137 1 400 . 1 1 79 79 ALA HA H 1 4.638 . . 1 . . . . 101 ALA HA . 10137 1 401 . 1 1 79 79 ALA CB C 13 18.482 . . 1 . . . . 101 ALA CB . 10137 1 402 . 1 1 79 79 ALA HB1 H 1 1.287 . . 1 . . . . 101 ALA HB1 . 10137 1 403 . 1 1 79 79 ALA HB2 H 1 1.287 . . 1 . . . . 101 ALA HB1 . 10137 1 404 . 1 1 79 79 ALA HB3 H 1 1.287 . . 1 . . . . 101 ALA HB1 . 10137 1 405 . 1 1 80 80 PRO CA C 13 63.652 . . 1 . . . . 102 PRO CA . 10137 1 406 . 1 1 80 80 PRO HA H 1 4.403 . . 1 . . . . 102 PRO HA . 10137 1 407 . 1 1 80 80 PRO CB C 13 32.064 . . 1 . . . . 102 PRO CB . 10137 1 408 . 1 1 80 80 PRO HB3 H 1 2.129 . . 2 . . . . 102 PRO HB2 . 10137 1 409 . 1 1 80 80 PRO HB2 H 1 2.541 . . 2 . . . . 102 PRO HB1 . 10137 1 410 . 1 1 80 80 PRO CG C 13 27.918 . . 1 . . . . 102 PRO CG . 10137 1 411 . 1 1 80 80 PRO HG3 H 1 1.955 . . 2 . . . . 102 PRO HG2 . 10137 1 412 . 1 1 80 80 PRO HG2 H 1 2.36 . . 2 . . . . 102 PRO HG1 . 10137 1 413 . 1 1 80 80 PRO CD C 13 50.191 . . 1 . . . . 102 PRO CD . 10137 1 414 . 1 1 80 80 PRO HD3 H 1 3.649 . . 2 . . . . 102 PRO HD2 . 10137 1 415 . 1 1 80 80 PRO HD2 H 1 3.684 . . 2 . . . . 102 PRO HD1 . 10137 1 416 . 1 1 81 81 GLY N N 15 111.66 . . 1 . . . . 103 GLY N . 10137 1 417 . 1 1 81 81 GLY H H 1 8.202 . . 1 . . . . 103 GLY HN . 10137 1 418 . 1 1 81 81 GLY CA C 13 44.611 . . 1 . . . . 103 GLY CA . 10137 1 419 . 1 1 81 81 GLY HA3 H 1 2.418 . . 2 . . . . 103 GLY HA2 . 10137 1 420 . 1 1 81 81 GLY HA2 H 1 3.659 . . 2 . . . . 103 GLY HA1 . 10137 1 421 . 1 1 82 82 HIS N N 15 118.587 . . 1 . . . . 104 HIS N . 10137 1 422 . 1 1 82 82 HIS H H 1 7.625 . . 1 . . . . 104 HIS HN . 10137 1 423 . 1 1 82 82 HIS CA C 13 54.852 . . 1 . . . . 104 HIS CA . 10137 1 424 . 1 1 82 82 HIS HA H 1 5.187 . . 1 . . . . 104 HIS HA . 10137 1 425 . 1 1 82 82 HIS CB C 13 31.546 . . 1 . . . . 104 HIS CB . 10137 1 426 . 1 1 82 82 HIS HB3 H 1 2.795 . . 2 . . . . 104 HIS HB2 . 10137 1 427 . 1 1 82 82 HIS HB2 H 1 3.092 . . 2 . . . . 104 HIS HB1 . 10137 1 428 . 1 1 83 83 TYR N N 15 122.981 . . 1 . . . . 105 TYR N . 10137 1 429 . 1 1 83 83 TYR H H 1 9.254 . . 1 . . . . 105 TYR HN . 10137 1 430 . 1 1 83 83 TYR CA C 13 56.707 . . 1 . . . . 105 TYR CA . 10137 1 431 . 1 1 83 83 TYR HA H 1 5.403 . . 1 . . . . 105 TYR HA . 10137 1 432 . 1 1 83 83 TYR CB C 13 44.494 . . 1 . . . . 105 TYR CB . 10137 1 433 . 1 1 83 83 TYR HB3 H 1 2.49 . . 2 . . . . 105 TYR HB2 . 10137 1 434 . 1 1 83 83 TYR HB2 H 1 3.062 . . 2 . . . . 105 TYR HB1 . 10137 1 435 . 1 1 83 83 TYR HD1 H 1 6.575 . . 3 . . . . 105 TYR HD1 . 10137 1 436 . 1 1 83 83 TYR HD2 H 1 6.588 . . 3 . . . . 105 TYR HD2 . 10137 1 437 . 1 1 83 83 TYR HE1 H 1 7.025 . . 3 . . . . 105 TYR HE1 . 10137 1 438 . 1 1 83 83 TYR HE2 H 1 7.115 . . 3 . . . . 105 TYR HE2 . 10137 1 439 . 1 1 84 84 THR N N 15 112.176 . . 1 . . . . 106 THR N . 10137 1 440 . 1 1 84 84 THR H H 1 9.46 . . 1 . . . . 106 THR HN . 10137 1 441 . 1 1 84 84 THR CA C 13 60.031 . . 1 . . . . 106 THR CA . 10137 1 442 . 1 1 84 84 THR HA H 1 5.463 . . 1 . . . . 106 THR HA . 10137 1 443 . 1 1 84 84 THR CB C 13 71.943 . . 1 . . . . 106 THR CB . 10137 1 444 . 1 1 84 84 THR HB H 1 4.099 . . 1 . . . . 106 THR HB . 10137 1 445 . 1 1 84 84 THR CG2 C 13 21.706 . . 1 . . . . 106 THR CG2 . 10137 1 446 . 1 1 84 84 THR HG21 H 1 1.119 . . 1 . . . . 106 THR HG21 . 10137 1 447 . 1 1 84 84 THR HG22 H 1 1.119 . . 1 . . . . 106 THR HG21 . 10137 1 448 . 1 1 84 84 THR HG23 H 1 1.119 . . 1 . . . . 106 THR HG21 . 10137 1 449 . 1 1 90 90 SER CA C 13 57.923 . . 1 . . . . 112 SER CA . 10137 1 450 . 1 1 90 90 SER HA H 1 4.45 . . 1 . . . . 112 SER HA . 10137 1 451 . 1 1 90 90 SER CB C 13 64.692 . . 1 . . . . 112 SER CB . 10137 1 452 . 1 1 90 90 SER HB3 H 1 3.74 . . 2 . . . . 112 SER HB2 . 10137 1 453 . 1 1 90 90 SER HB2 H 1 3.944 . . 2 . . . . 112 SER HB1 . 10137 1 454 . 1 1 91 91 GLY N N 15 111.143 . . 1 . . . . 113 GLY N . 10137 1 455 . 1 1 91 91 GLY H H 1 7.986 . . 1 . . . . 113 GLY HN . 10137 1 456 . 1 1 91 91 GLY CA C 13 45.963 . . 1 . . . . 113 GLY CA . 10137 1 457 . 1 1 91 91 GLY HA3 H 1 3.781 . . 2 . . . . 113 GLY HA2 . 10137 1 458 . 1 1 91 91 GLY HA2 H 1 4.025 . . 2 . . . . 113 GLY HA1 . 10137 1 459 . 1 1 92 92 SER N N 15 115.327 . . 1 . . . . 114 SER N . 10137 1 460 . 1 1 92 92 SER H H 1 7.783 . . 1 . . . . 114 SER HN . 10137 1 461 . 1 1 92 92 SER CA C 13 58.512 . . 1 . . . . 114 SER CA . 10137 1 462 . 1 1 92 92 SER HA H 1 4.453 . . 1 . . . . 114 SER HA . 10137 1 463 . 1 1 92 92 SER CB C 13 64.251 . . 1 . . . . 114 SER CB . 10137 1 464 . 1 1 92 92 SER HB3 H 1 3.696 . . 2 . . . . 114 SER HB2 . 10137 1 465 . 1 1 92 92 SER HB2 H 1 3.848 . . 2 . . . . 114 SER HB1 . 10137 1 466 . 1 1 93 93 ILE N N 15 123.279 . . 1 . . . . 115 ILE N . 10137 1 467 . 1 1 93 93 ILE H H 1 8.346 . . 1 . . . . 115 ILE HN . 10137 1 468 . 1 1 93 93 ILE CA C 13 60.031 . . 1 . . . . 115 ILE CA . 10137 1 469 . 1 1 93 93 ILE HA H 1 4.581 . . 1 . . . . 115 ILE HA . 10137 1 470 . 1 1 93 93 ILE CB C 13 38.797 . . 1 . . . . 115 ILE CB . 10137 1 471 . 1 1 93 93 ILE HB H 1 1.719 . . 1 . . . . 115 ILE HB . 10137 1 472 . 1 1 93 93 ILE CG1 C 13 27.403 . . 1 . . . . 115 ILE CG1 . 10137 1 473 . 1 1 93 93 ILE HG12 H 1 1.506 . . 1 . . . . 115 ILE HG11 . 10137 1 474 . 1 1 93 93 ILE CD1 C 13 12.384 . . 1 . . . . 115 ILE CD1 . 10137 1 475 . 1 1 93 93 ILE HD11 H 1 0.82 . . 1 . . . . 115 ILE HD11 . 10137 1 476 . 1 1 93 93 ILE HD12 H 1 0.82 . . 1 . . . . 115 ILE HD11 . 10137 1 477 . 1 1 93 93 ILE HD13 H 1 0.82 . . 1 . . . . 115 ILE HD11 . 10137 1 478 . 1 1 93 93 ILE CG2 C 13 17.563 . . 1 . . . . 115 ILE CG2 . 10137 1 479 . 1 1 93 93 ILE HG21 H 1 0.82 . . 1 . . . . 115 ILE HG21 . 10137 1 480 . 1 1 93 93 ILE HG22 H 1 0.82 . . 1 . . . . 115 ILE HG21 . 10137 1 481 . 1 1 93 93 ILE HG23 H 1 0.82 . . 1 . . . . 115 ILE HG21 . 10137 1 482 . 1 1 94 94 HIS N N 15 127.638 . . 1 . . . . 116 HIS N . 10137 1 483 . 1 1 94 94 HIS H H 1 9.194 . . 1 . . . . 116 HIS HN . 10137 1 484 . 1 1 95 95 SER N N 15 117.328 . . 1 . . . . 117 SER N . 10137 1 485 . 1 1 95 95 SER H H 1 9.092 . . 1 . . . . 117 SER HN . 10137 1 486 . 1 1 95 95 SER CA C 13 56.924 . . 1 . . . . 117 SER CA . 10137 1 487 . 1 1 95 95 SER HA H 1 5.104 . . 1 . . . . 117 SER HA . 10137 1 488 . 1 1 95 95 SER CB C 13 64.174 . . 1 . . . . 117 SER CB . 10137 1 489 . 1 1 95 95 SER HB2 H 1 3.898 . . 2 . . . . 117 SER HB1 . 10137 1 490 . 1 1 96 96 VAL CA C 13 61.015 . . 1 . . . . 118 VAL CA . 10137 1 491 . 1 1 96 96 VAL HA H 1 5.032 . . 1 . . . . 118 VAL HA . 10137 1 492 . 1 1 96 96 VAL CB C 13 35.172 . . 1 . . . . 118 VAL CB . 10137 1 493 . 1 1 96 96 VAL HB H 1 1.876 . . 1 . . . . 118 VAL HB . 10137 1 494 . 1 1 96 96 VAL CG1 C 13 20.69 . . 1 . . . . 118 VAL CG1 . 10137 1 495 . 1 1 96 96 VAL HG11 H 1 0.806 . . 2 . . . . 118 VAL HG11 . 10137 1 496 . 1 1 96 96 VAL HG12 H 1 0.806 . . 2 . . . . 118 VAL HG11 . 10137 1 497 . 1 1 96 96 VAL HG13 H 1 0.806 . . 2 . . . . 118 VAL HG11 . 10137 1 498 . 1 1 97 97 SER N N 15 121.039 . . 1 . . . . 119 SER N . 10137 1 499 . 1 1 97 97 SER H H 1 9.012 . . 1 . . . . 119 SER HN . 10137 1 500 . 1 1 97 97 SER CA C 13 56.128 . . 1 . . . . 119 SER CA . 10137 1 501 . 1 1 97 97 SER HA H 1 5.607 . . 1 . . . . 119 SER HA . 10137 1 502 . 1 1 97 97 SER CB C 13 65.728 . . 1 . . . . 119 SER CB . 10137 1 503 . 1 1 97 97 SER HB3 H 1 3.649 . . 2 . . . . 119 SER HB2 . 10137 1 504 . 1 1 97 97 SER HB2 H 1 3.758 . . 2 . . . . 119 SER HB1 . 10137 1 505 . 1 1 98 98 VAL N N 15 124.768 . . 1 . . . . 120 VAL N . 10137 1 506 . 1 1 98 98 VAL H H 1 8.481 . . 1 . . . . 120 VAL HN . 10137 1 507 . 1 1 98 98 VAL CA C 13 62.103 . . 1 . . . . 120 VAL CA . 10137 1 508 . 1 1 98 98 VAL HA H 1 3.985 . . 1 . . . . 120 VAL HA . 10137 1 509 . 1 1 98 98 VAL CB C 13 29.132 . . 1 . . . . 120 VAL CB . 10137 1 510 . 1 1 98 98 VAL HB H 1 1.328 . . 1 . . . . 120 VAL HB . 10137 1 511 . 1 1 98 98 VAL CG2 C 13 18.599 . . 1 . . . . 120 VAL CG2 . 10137 1 512 . 1 1 98 98 VAL HG21 H 1 0.149 . . 2 . . . . 120 VAL HG21 . 10137 1 513 . 1 1 98 98 VAL HG22 H 1 0.149 . . 2 . . . . 120 VAL HG21 . 10137 1 514 . 1 1 98 98 VAL HG23 H 1 0.149 . . 2 . . . . 120 VAL HG21 . 10137 1 515 . 1 1 98 98 VAL CG1 C 13 21.188 . . 1 . . . . 120 VAL CG1 . 10137 1 516 . 1 1 98 98 VAL HG11 H 1 0.395 . . 2 . . . . 120 VAL HG11 . 10137 1 517 . 1 1 98 98 VAL HG12 H 1 0.395 . . 2 . . . . 120 VAL HG11 . 10137 1 518 . 1 1 98 98 VAL HG13 H 1 0.395 . . 2 . . . . 120 VAL HG11 . 10137 1 519 . 1 1 99 99 VAL N N 15 128.859 . . 1 . . . . 121 VAL N . 10137 1 520 . 1 1 99 99 VAL H H 1 8.338 . . 1 . . . . 121 VAL HN . 10137 1 521 . 1 1 99 99 VAL CA C 13 65.022 . . 1 . . . . 121 VAL CA . 10137 1 522 . 1 1 99 99 VAL HA H 1 3.679 . . 1 . . . . 121 VAL HA . 10137 1 523 . 1 1 99 99 VAL CB C 13 32.582 . . 1 . . . . 121 VAL CB . 10137 1 524 . 1 1 99 99 VAL HB H 1 1.645 . . 1 . . . . 121 VAL HB . 10137 1 525 . 1 1 99 99 VAL CG2 C 13 21.188 . . 1 . . . . 121 VAL CG2 . 10137 1 526 . 1 1 99 99 VAL HG21 H 1 0.832 . . 2 . . . . 121 VAL HG21 . 10137 1 527 . 1 1 99 99 VAL HG22 H 1 0.832 . . 2 . . . . 121 VAL HG21 . 10137 1 528 . 1 1 99 99 VAL HG23 H 1 0.832 . . 2 . . . . 121 VAL HG21 . 10137 1 529 . 1 1 99 99 VAL CG1 C 13 22.197 . . 1 . . . . 121 VAL CG1 . 10137 1 530 . 1 1 99 99 VAL HG11 H 1 0.909 . . 2 . . . . 121 VAL HG11 . 10137 1 531 . 1 1 99 99 VAL HG12 H 1 0.909 . . 2 . . . . 121 VAL HG11 . 10137 1 532 . 1 1 99 99 VAL HG13 H 1 0.909 . . 2 . . . . 121 VAL HG11 . 10137 1 533 . 1 1 100 100 GLU N N 15 113.652 . . 1 . . . . 122 GLU N . 10137 1 534 . 1 1 100 100 GLU H H 1 7.199 . . 1 . . . . 122 GLU HN . 10137 1 535 . 1 1 100 100 GLU CA C 13 54.852 . . 1 . . . . 122 GLU CA . 10137 1 536 . 1 1 100 100 GLU HA H 1 4.721 . . 1 . . . . 122 GLU HA . 10137 1 537 . 1 1 100 100 GLU CB C 13 34.136 . . 1 . . . . 122 GLU CB . 10137 1 538 . 1 1 100 100 GLU HB3 H 1 1.857 . . 2 . . . . 122 GLU HB2 . 10137 1 539 . 1 1 100 100 GLU HB2 H 1 2.003 . . 2 . . . . 122 GLU HB1 . 10137 1 540 . 1 1 100 100 GLU CG C 13 36.725 . . 1 . . . . 122 GLU CG . 10137 1 541 . 1 1 101 101 ALA N N 15 124.286 . . 1 . . . . 123 ALA N . 10137 1 542 . 1 1 101 101 ALA H H 1 8.7 . . 1 . . . . 123 ALA HN . 10137 1 543 . 1 1 101 101 ALA CA C 13 52.274 . . 1 . . . . 123 ALA CA . 10137 1 544 . 1 1 101 101 ALA HA H 1 4.292 . . 1 . . . . 123 ALA HA . 10137 1 545 . 1 1 101 101 ALA CB C 13 21.697 . . 1 . . . . 123 ALA CB . 10137 1 546 . 1 1 101 101 ALA HB1 H 1 1.3 . . 1 . . . . 123 ALA HB1 . 10137 1 547 . 1 1 101 101 ALA HB2 H 1 1.3 . . 1 . . . . 123 ALA HB1 . 10137 1 548 . 1 1 101 101 ALA HB3 H 1 1.3 . . 1 . . . . 123 ALA HB1 . 10137 1 549 . 1 1 105 105 GLU N N 15 118.774 . . 1 . . . . 127 GLU N . 10137 1 550 . 1 1 105 105 GLU H H 1 7.948 . . 1 . . . . 127 GLU HN . 10137 1 551 . 1 1 105 105 GLU CA C 13 59.513 . . 1 . . . . 127 GLU CA . 10137 1 552 . 1 1 105 105 GLU HA H 1 4.776 . . 1 . . . . 127 GLU HA . 10137 1 553 . 1 1 105 105 GLU HB3 H 1 2.011 . . 2 . . . . 127 GLU HB2 . 10137 1 554 . 1 1 105 105 GLU HB2 H 1 2.376 . . 2 . . . . 127 GLU HB1 . 10137 1 555 . 1 1 106 106 TYR N N 15 118.293 . . 1 . . . . 128 TYR N . 10137 1 556 . 1 1 106 106 TYR H H 1 9.324 . . 1 . . . . 128 TYR HN . 10137 1 557 . 1 1 106 106 TYR CA C 13 58.104 . . 1 . . . . 128 TYR CA . 10137 1 558 . 1 1 106 106 TYR CB C 13 42.286 . . 1 . . . . 128 TYR CB . 10137 1 559 . 1 1 106 106 TYR HD1 H 1 6.873 . . 3 . . . . 128 TYR HD1 . 10137 1 560 . 1 1 106 106 TYR HE1 H 1 6.592 . . 3 . . . . 128 TYR HE1 . 10137 1 561 . 1 1 107 107 ALA N N 15 120.238 . . 1 . . . . 129 ALA N . 10137 1 562 . 1 1 107 107 ALA H H 1 9.013 . . 1 . . . . 129 ALA HN . 10137 1 563 . 1 1 107 107 ALA CA C 13 51.734 . . 1 . . . . 129 ALA CA . 10137 1 564 . 1 1 107 107 ALA HA H 1 4.688 . . 1 . . . . 129 ALA HA . 10137 1 565 . 1 1 107 107 ALA CB C 13 22.742 . . 1 . . . . 129 ALA CB . 10137 1 566 . 1 1 107 107 ALA HB1 H 1 0.892 . . 1 . . . . 129 ALA HB1 . 10137 1 567 . 1 1 107 107 ALA HB2 H 1 0.892 . . 1 . . . . 129 ALA HB1 . 10137 1 568 . 1 1 107 107 ALA HB3 H 1 0.892 . . 1 . . . . 129 ALA HB1 . 10137 1 569 . 1 1 108 108 LEU N N 15 123.351 . . 1 . . . . 130 LEU N . 10137 1 570 . 1 1 108 108 LEU H H 1 8.921 . . 1 . . . . 130 LEU HN . 10137 1 571 . 1 1 108 108 LEU CA C 13 53.818 . . 1 . . . . 130 LEU CA . 10137 1 572 . 1 1 108 108 LEU HA H 1 5.223 . . 1 . . . . 130 LEU HA . 10137 1 573 . 1 1 108 108 LEU CB C 13 43.976 . . 1 . . . . 130 LEU CB . 10137 1 574 . 1 1 108 108 LEU HB2 H 1 1.25 . . 2 . . . . 130 LEU HB1 . 10137 1 575 . 1 1 108 108 LEU CG C 13 27.921 . . 1 . . . . 130 LEU CG . 10137 1 576 . 1 1 108 108 LEU HG H 1 1.402 . . 1 . . . . 130 LEU HG . 10137 1 577 . 1 1 108 108 LEU CD1 C 13 24.814 . . 1 . . . . 130 LEU CD1 . 10137 1 578 . 1 1 108 108 LEU HD11 H 1 0.506 . . 2 . . . . 130 LEU HD11 . 10137 1 579 . 1 1 108 108 LEU HD12 H 1 0.506 . . 2 . . . . 130 LEU HD11 . 10137 1 580 . 1 1 108 108 LEU HD13 H 1 0.506 . . 2 . . . . 130 LEU HD11 . 10137 1 581 . 1 1 108 108 LEU CD2 C 13 24.814 . . 1 . . . . 130 LEU CD2 . 10137 1 582 . 1 1 108 108 LEU HD21 H 1 0.707 . . 2 . . . . 130 LEU HD21 . 10137 1 583 . 1 1 108 108 LEU HD22 H 1 0.707 . . 2 . . . . 130 LEU HD21 . 10137 1 584 . 1 1 108 108 LEU HD23 H 1 0.707 . . 2 . . . . 130 LEU HD21 . 10137 1 585 . 1 1 109 109 LEU N N 15 124.745 . . 1 . . . . 131 LEU N . 10137 1 586 . 1 1 109 109 LEU H H 1 8.92 . . 1 . . . . 131 LEU HN . 10137 1 587 . 1 1 109 109 LEU CA C 13 54.495 . . 1 . . . . 131 LEU CA . 10137 1 588 . 1 1 109 109 LEU HA H 1 5.413 . . 1 . . . . 131 LEU HA . 10137 1 589 . 1 1 109 109 LEU CB C 13 45.163 . . 1 . . . . 131 LEU CB . 10137 1 590 . 1 1 109 109 LEU HB2 H 1 1.65 . . 2 . . . . 131 LEU HB1 . 10137 1 591 . 1 1 109 109 LEU CG C 13 30.51 . . 1 . . . . 131 LEU CG . 10137 1 592 . 1 1 109 109 LEU HG H 1 1.44 . . 1 . . . . 131 LEU HG . 10137 1 593 . 1 1 109 109 LEU CD1 C 13 25.362 . . 1 . . . . 131 LEU CD1 . 10137 1 594 . 1 1 109 109 LEU HD11 H 1 0.528 . . 2 . . . . 131 LEU HD11 . 10137 1 595 . 1 1 109 109 LEU HD12 H 1 0.528 . . 2 . . . . 131 LEU HD11 . 10137 1 596 . 1 1 109 109 LEU HD13 H 1 0.528 . . 2 . . . . 131 LEU HD11 . 10137 1 597 . 1 1 110 110 PHE N N 15 121.389 . . 1 . . . . 132 PHE N . 10137 1 598 . 1 1 110 110 PHE H H 1 9.189 . . 1 . . . . 132 PHE HN . 10137 1 599 . 1 1 110 110 PHE CA C 13 56.3 . . 1 . . . . 132 PHE CA . 10137 1 600 . 1 1 110 110 PHE HA H 1 5.665 . . 1 . . . . 132 PHE HA . 10137 1 601 . 1 1 110 110 PHE CB C 13 43.458 . . 1 . . . . 132 PHE CB . 10137 1 602 . 1 1 110 110 PHE HB2 H 1 3.056 . . 2 . . . . 132 PHE HB1 . 10137 1 603 . 1 1 111 111 SER N N 15 125.183 . . 1 . . . . 133 SER N . 10137 1 604 . 1 1 111 111 SER H H 1 9.059 . . 1 . . . . 133 SER HN . 10137 1 605 . 1 1 111 111 SER CA C 13 55.877 . . 1 . . . . 133 SER CA . 10137 1 606 . 1 1 111 111 SER HA H 1 5.703 . . 1 . . . . 133 SER HA . 10137 1 607 . 1 1 111 111 SER CB C 13 65.21 . . 1 . . . . 133 SER CB . 10137 1 608 . 1 1 111 111 SER HB2 H 1 3.74 . . 2 . . . . 133 SER HB1 . 10137 1 609 . 1 1 112 112 ARG N N 15 120.248 . . 1 . . . . 134 ARG N . 10137 1 610 . 1 1 112 112 ARG H H 1 8.675 . . 1 . . . . 134 ARG HN . 10137 1 611 . 1 1 112 112 ARG CA C 13 53.298 . . 1 . . . . 134 ARG CA . 10137 1 612 . 1 1 112 112 ARG HA H 1 5.019 . . 1 . . . . 134 ARG HA . 10137 1 613 . 1 1 112 112 ARG CB C 13 34.045 . . 1 . . . . 134 ARG CB . 10137 1 614 . 1 1 112 112 ARG HB2 H 1 1.748 . . 2 . . . . 134 ARG HB1 . 10137 1 615 . 1 1 112 112 ARG CG C 13 26.367 . . 1 . . . . 134 ARG CG . 10137 1 616 . 1 1 112 112 ARG HG2 H 1 1.581 . . 2 . . . . 134 ARG HG1 . 10137 1 617 . 1 1 112 112 ARG CD C 13 43.458 . . 1 . . . . 134 ARG CD . 10137 1 618 . 1 1 112 112 ARG HD3 H 1 3.162 . . 2 . . . . 134 ARG HD2 . 10137 1 619 . 1 1 112 112 ARG HD2 H 1 3.253 . . 2 . . . . 134 ARG HD1 . 10137 1 620 . 1 1 113 113 GLY N N 15 108.924 . . 1 . . . . 135 GLY N . 10137 1 621 . 1 1 113 113 GLY H H 1 8.161 . . 1 . . . . 135 GLY HN . 10137 1 622 . 1 1 113 113 GLY CA C 13 45.649 . . 1 . . . . 135 GLY CA . 10137 1 623 . 1 1 113 113 GLY HA3 H 1 4.025 . . 2 . . . . 135 GLY HA2 . 10137 1 624 . 1 1 113 113 GLY HA2 H 1 4.31 . . 2 . . . . 135 GLY HA1 . 10137 1 625 . 1 1 114 114 THR N N 15 112.636 . . 1 . . . . 136 THR N . 10137 1 626 . 1 1 114 114 THR H H 1 8.47 . . 1 . . . . 136 THR HN . 10137 1 627 . 1 1 114 114 THR CA C 13 60.55 . . 1 . . . . 136 THR CA . 10137 1 628 . 1 1 114 114 THR HA H 1 4.415 . . 1 . . . . 136 THR HA . 10137 1 629 . 1 1 114 114 THR CB C 13 69.871 . . 1 . . . . 136 THR CB . 10137 1 630 . 1 1 114 114 THR HB H 1 4.063 . . 1 . . . . 136 THR HB . 10137 1 631 . 1 1 114 114 THR CG2 C 13 21.17 . . 1 . . . . 136 THR CG2 . 10137 1 632 . 1 1 114 114 THR HG21 H 1 0.696 . . 1 . . . . 136 THR HG21 . 10137 1 633 . 1 1 114 114 THR HG22 H 1 0.696 . . 1 . . . . 136 THR HG21 . 10137 1 634 . 1 1 114 114 THR HG23 H 1 0.696 . . 1 . . . . 136 THR HG21 . 10137 1 635 . 1 1 115 115 LYS N N 15 121.471 . . 1 . . . . 137 LYS N . 10137 1 636 . 1 1 115 115 LYS H H 1 8.094 . . 1 . . . . 137 LYS HN . 10137 1 637 . 1 1 115 115 LYS CA C 13 56.657 . . 1 . . . . 137 LYS CA . 10137 1 638 . 1 1 115 115 LYS HA H 1 4.432 . . 1 . . . . 137 LYS HA . 10137 1 639 . 1 1 115 115 LYS CB C 13 34.199 . . 1 . . . . 137 LYS CB . 10137 1 640 . 1 1 115 115 LYS HB3 H 1 1.835 . . 2 . . . . 137 LYS HB2 . 10137 1 641 . 1 1 115 115 LYS HB2 H 1 1.783 . . 2 . . . . 137 LYS HB1 . 10137 1 642 . 1 1 115 115 LYS CG C 13 29.053 . . 1 . . . . 137 LYS CG . 10137 1 643 . 1 1 115 115 LYS HG2 H 1 1.647 . . 2 . . . . 137 LYS HG1 . 10137 1 644 . 1 1 115 115 LYS CD C 13 24.828 . . 1 . . . . 137 LYS CD . 10137 1 645 . 1 1 115 115 LYS HD2 H 1 1.448 . . 2 . . . . 137 LYS HD1 . 10137 1 646 . 1 1 115 115 LYS CE C 13 41.897 . . 1 . . . . 137 LYS CE . 10137 1 647 . 1 1 115 115 LYS HE2 H 1 2.91 . . 2 . . . . 137 LYS HE1 . 10137 1 648 . 1 1 116 116 GLY N N 15 112.176 . . 1 . . . . 138 GLY N . 10137 1 649 . 1 1 116 116 GLY H H 1 8.521 . . 1 . . . . 138 GLY HN . 10137 1 650 . 1 1 116 116 GLY CA C 13 44.684 . . 1 . . . . 138 GLY CA . 10137 1 651 . 1 1 116 116 GLY HA3 H 1 3.883 . . 2 . . . . 138 GLY HA2 . 10137 1 652 . 1 1 116 116 GLY HA2 H 1 4.5 . . 2 . . . . 138 GLY HA1 . 10137 1 653 . 1 1 118 118 GLY CA C 13 38.457 . . 1 . . . . 140 GLY CA . 10137 1 654 . 1 1 119 119 GLN N N 15 119.422 . . 1 . . . . 141 GLN N . 10137 1 655 . 1 1 119 119 GLN H H 1 7.956 . . 1 . . . . 141 GLN HN . 10137 1 656 . 1 1 119 119 GLN CA C 13 57.445 . . 1 . . . . 141 GLN CA . 10137 1 657 . 1 1 119 119 GLN HA H 1 4.034 . . 1 . . . . 141 GLN HA . 10137 1 658 . 1 1 119 119 GLN CB C 13 28.997 . . 1 . . . . 141 GLN CB . 10137 1 659 . 1 1 119 119 GLN HB3 H 1 2.031 . . 2 . . . . 141 GLN HB2 . 10137 1 660 . 1 1 119 119 GLN HB2 H 1 2.235 . . 2 . . . . 141 GLN HB1 . 10137 1 661 . 1 1 119 119 GLN CG C 13 33.053 . . 1 . . . . 141 GLN CG . 10137 1 662 . 1 1 119 119 GLN HG2 H 1 2.25 . . 2 . . . . 141 GLN HG1 . 10137 1 663 . 1 1 120 120 ASP N N 15 118.574 . . 1 . . . . 142 ASP N . 10137 1 664 . 1 1 120 120 ASP H H 1 8.466 . . 1 . . . . 142 ASP HN . 10137 1 665 . 1 1 120 120 ASP CA C 13 54.334 . . 1 . . . . 142 ASP CA . 10137 1 666 . 1 1 120 120 ASP HA H 1 4.637 . . 1 . . . . 142 ASP HA . 10137 1 667 . 1 1 120 120 ASP CB C 13 40.869 . . 1 . . . . 142 ASP CB . 10137 1 668 . 1 1 120 120 ASP HB3 H 1 2.626 . . 2 . . . . 142 ASP HB2 . 10137 1 669 . 1 1 120 120 ASP HB2 H 1 2.733 . . 2 . . . . 142 ASP HB1 . 10137 1 670 . 1 1 121 121 PHE N N 15 122.16 . . 1 . . . . 143 PHE N . 10137 1 671 . 1 1 121 121 PHE H H 1 8.073 . . 1 . . . . 143 PHE HN . 10137 1 672 . 1 1 121 121 PHE CA C 13 58.045 . . 1 . . . . 143 PHE CA . 10137 1 673 . 1 1 121 121 PHE HA H 1 4.631 . . 1 . . . . 143 PHE HA . 10137 1 674 . 1 1 121 121 PHE CB C 13 40.154 . . 1 . . . . 143 PHE CB . 10137 1 675 . 1 1 121 121 PHE HB3 H 1 3.255 . . 2 . . . . 143 PHE HB2 . 10137 1 676 . 1 1 121 121 PHE HB2 H 1 2.721 . . 2 . . . . 143 PHE HB1 . 10137 1 677 . 1 1 121 121 PHE HD1 H 1 6.818 . . 3 . . . . 143 PHE HD1 . 10137 1 678 . 1 1 123 123 MET N N 15 121.877 . . 1 . . . . 145 MET N . 10137 1 679 . 1 1 123 123 MET H H 1 8.515 . . 1 . . . . 145 MET HN . 10137 1 680 . 1 1 123 123 MET CA C 13 54.852 . . 1 . . . . 145 MET CA . 10137 1 681 . 1 1 123 123 MET HA H 1 5.18 . . 1 . . . . 145 MET HA . 10137 1 682 . 1 1 123 123 MET CB C 13 37.761 . . 1 . . . . 145 MET CB . 10137 1 683 . 1 1 123 123 MET HB2 H 1 1.81 . . 2 . . . . 145 MET HB1 . 10137 1 684 . 1 1 123 123 MET CG C 13 31.546 . . 1 . . . . 145 MET CG . 10137 1 685 . 1 1 123 123 MET HG3 H 1 2.177 . . 2 . . . . 145 MET HG2 . 10137 1 686 . 1 1 123 123 MET HG2 H 1 2.338 . . 2 . . . . 145 MET HG1 . 10137 1 687 . 1 1 124 124 ALA N N 15 132.633 . . 1 . . . . 146 ALA N . 10137 1 688 . 1 1 124 124 ALA H H 1 9.803 . . 1 . . . . 146 ALA HN . 10137 1 689 . 1 1 124 124 ALA CA C 13 50.191 . . 1 . . . . 146 ALA CA . 10137 1 690 . 1 1 124 124 ALA HA H 1 5.714 . . 1 . . . . 146 ALA HA . 10137 1 691 . 1 1 124 124 ALA CB C 13 22.742 . . 1 . . . . 146 ALA CB . 10137 1 692 . 1 1 124 124 ALA HB1 H 1 1.574 . . 1 . . . . 146 ALA HB1 . 10137 1 693 . 1 1 124 124 ALA HB2 H 1 1.574 . . 1 . . . . 146 ALA HB1 . 10137 1 694 . 1 1 124 124 ALA HB3 H 1 1.574 . . 1 . . . . 146 ALA HB1 . 10137 1 695 . 1 1 125 125 THR N N 15 118.218 . . 1 . . . . 147 THR N . 10137 1 696 . 1 1 125 125 THR H H 1 9.192 . . 1 . . . . 147 THR HN . 10137 1 697 . 1 1 125 125 THR CA C 13 62.103 . . 1 . . . . 147 THR CA . 10137 1 698 . 1 1 125 125 THR HA H 1 4.947 . . 1 . . . . 147 THR HA . 10137 1 699 . 1 1 125 125 THR CB C 13 71.425 . . 1 . . . . 147 THR CB . 10137 1 700 . 1 1 125 125 THR HB H 1 3.684 . . 1 . . . . 147 THR HB . 10137 1 701 . 1 1 125 125 THR CG2 C 13 21.188 . . 1 . . . . 147 THR CG2 . 10137 1 702 . 1 1 125 125 THR HG21 H 1 0.785 . . 1 . . . . 147 THR HG21 . 10137 1 703 . 1 1 125 125 THR HG22 H 1 0.785 . . 1 . . . . 147 THR HG21 . 10137 1 704 . 1 1 125 125 THR HG23 H 1 0.785 . . 1 . . . . 147 THR HG21 . 10137 1 705 . 1 1 126 126 LEU N N 15 128.458 . . 1 . . . . 148 LEU N . 10137 1 706 . 1 1 126 126 LEU H H 1 8.415 . . 1 . . . . 148 LEU HN . 10137 1 707 . 1 1 126 126 LEU CA C 13 52.487 . . 1 . . . . 148 LEU CA . 10137 1 708 . 1 1 126 126 LEU HA H 1 4.427 . . 1 . . . . 148 LEU HA . 10137 1 709 . 1 1 126 126 LEU CB C 13 42.438 . . 1 . . . . 148 LEU CB . 10137 1 710 . 1 1 126 126 LEU HB3 H 1 1.467 . . 2 . . . . 148 LEU HB2 . 10137 1 711 . 1 1 126 126 LEU HB2 H 1 1.485 . . 2 . . . . 148 LEU HB1 . 10137 1 712 . 1 1 126 126 LEU HG H 1 2.243 . . 1 . . . . 148 LEU HG . 10137 1 713 . 1 1 126 126 LEU HD11 H 1 0.693 . . 2 . . . . 148 LEU HD11 . 10137 1 714 . 1 1 126 126 LEU HD12 H 1 0.693 . . 2 . . . . 148 LEU HD11 . 10137 1 715 . 1 1 126 126 LEU HD13 H 1 0.693 . . 2 . . . . 148 LEU HD11 . 10137 1 716 . 1 1 126 126 LEU HD21 H 1 0.619 . . 2 . . . . 148 LEU HD21 . 10137 1 717 . 1 1 126 126 LEU HD22 H 1 0.619 . . 2 . . . . 148 LEU HD21 . 10137 1 718 . 1 1 126 126 LEU HD23 H 1 0.619 . . 2 . . . . 148 LEU HD21 . 10137 1 719 . 1 1 127 127 TYR N N 15 127.663 . . 1 . . . . 149 TYR N . 10137 1 720 . 1 1 127 127 TYR H H 1 9.371 . . 1 . . . . 149 TYR HN . 10137 1 721 . 1 1 127 127 TYR CA C 13 55.348 . . 1 . . . . 149 TYR CA . 10137 1 722 . 1 1 127 127 TYR HA H 1 5.677 . . 1 . . . . 149 TYR HA . 10137 1 723 . 1 1 127 127 TYR CB C 13 40.351 . . 1 . . . . 149 TYR CB . 10137 1 724 . 1 1 127 127 TYR HB3 H 1 2.342 . . 2 . . . . 149 TYR HB2 . 10137 1 725 . 1 1 127 127 TYR HB2 H 1 2.988 . . 2 . . . . 149 TYR HB1 . 10137 1 726 . 1 1 127 127 TYR HD1 H 1 6.723 . . 3 . . . . 149 TYR HD1 . 10137 1 727 . 1 1 127 127 TYR HE1 H 1 6.81 . . 3 . . . . 149 TYR HE1 . 10137 1 728 . 1 1 127 127 TYR HE2 H 1 6.836 . . 3 . . . . 149 TYR HE2 . 10137 1 729 . 1 1 127 127 TYR HD2 H 1 6.81 . . 3 . . . . 149 TYR HD2 . 10137 1 730 . 1 1 128 128 SER N N 15 113.421 . . 1 . . . . 150 SER N . 10137 1 731 . 1 1 128 128 SER H H 1 9.739 . . 1 . . . . 150 SER HN . 10137 1 732 . 1 1 128 128 SER CA C 13 55.37 . . 1 . . . . 150 SER CA . 10137 1 733 . 1 1 128 128 SER HA H 1 5.979 . . 1 . . . . 150 SER HA . 10137 1 734 . 1 1 128 128 SER CB C 13 65.728 . . 1 . . . . 150 SER CB . 10137 1 735 . 1 1 128 128 SER HB3 H 1 3.822 . . 2 . . . . 150 SER HB2 . 10137 1 736 . 1 1 128 128 SER HB2 H 1 4.066 . . 2 . . . . 150 SER HB1 . 10137 1 737 . 1 1 129 129 ARG N N 15 126.083 . . 1 . . . . 151 ARG N . 10137 1 738 . 1 1 129 129 ARG H H 1 8.659 . . 1 . . . . 151 ARG HN . 10137 1 739 . 1 1 129 129 ARG CA C 13 57.017 . . 1 . . . . 151 ARG CA . 10137 1 740 . 1 1 129 129 ARG HA H 1 4.155 . . 1 . . . . 151 ARG HA . 10137 1 741 . 1 1 129 129 ARG CB C 13 31.704 . . 1 . . . . 151 ARG CB . 10137 1 742 . 1 1 129 129 ARG HB2 H 1 2.087 . . 2 . . . . 151 ARG HB1 . 10137 1 743 . 1 1 129 129 ARG HG2 H 1 1.991 . . 2 . . . . 151 ARG HG1 . 10137 1 744 . 1 1 130 130 THR N N 15 108.349 . . 1 . . . . 152 THR N . 10137 1 745 . 1 1 130 130 THR H H 1 8.225 . . 1 . . . . 152 THR HN . 10137 1 746 . 1 1 130 130 THR CA C 13 59.513 . . 1 . . . . 152 THR CA . 10137 1 747 . 1 1 130 130 THR HA H 1 4.825 . . 1 . . . . 152 THR HA . 10137 1 748 . 1 1 130 130 THR CB C 13 70.907 . . 1 . . . . 152 THR CB . 10137 1 749 . 1 1 130 130 THR HB H 1 4.468 . . 1 . . . . 152 THR HB . 10137 1 750 . 1 1 130 130 THR CG2 C 13 36.725 . . 1 . . . . 152 THR CG2 . 10137 1 751 . 1 1 130 130 THR HG21 H 1 1.259 . . 1 . . . . 152 THR HG21 . 10137 1 752 . 1 1 130 130 THR HG22 H 1 1.259 . . 1 . . . . 152 THR HG21 . 10137 1 753 . 1 1 130 130 THR HG23 H 1 1.259 . . 1 . . . . 152 THR HG21 . 10137 1 754 . 1 1 131 131 GLN CA C 13 57.172 . . 1 . . . . 153 GLN CA . 10137 1 755 . 1 1 131 131 GLN HA H 1 3.721 . . 1 . . . . 153 GLN HA . 10137 1 756 . 1 1 131 131 GLN CB C 13 28.957 . . 1 . . . . 153 GLN CB . 10137 1 757 . 1 1 131 131 GLN HB3 H 1 1.587 . . 2 . . . . 153 GLN HB2 . 10137 1 758 . 1 1 131 131 GLN HB2 H 1 1.887 . . 2 . . . . 153 GLN HB1 . 10137 1 759 . 1 1 131 131 GLN CG C 13 33.618 . . 1 . . . . 153 GLN CG . 10137 1 760 . 1 1 131 131 GLN HG3 H 1 1.291 . . 2 . . . . 153 GLN HG2 . 10137 1 761 . 1 1 131 131 GLN HG2 H 1 1.338 . . 2 . . . . 153 GLN HG1 . 10137 1 762 . 1 1 132 132 THR N N 15 109.382 . . 1 . . . . 154 THR N . 10137 1 763 . 1 1 132 132 THR H H 1 7.293 . . 1 . . . . 154 THR HN . 10137 1 764 . 1 1 132 132 THR CA C 13 60.549 . . 1 . . . . 154 THR CA . 10137 1 765 . 1 1 132 132 THR HA H 1 4.305 . . 1 . . . . 154 THR HA . 10137 1 766 . 1 1 132 132 THR CB C 13 69.871 . . 1 . . . . 154 THR CB . 10137 1 767 . 1 1 132 132 THR HB H 1 4.018 . . 1 . . . . 154 THR HB . 10137 1 768 . 1 1 132 132 THR CG2 C 13 21.706 . . 1 . . . . 154 THR CG2 . 10137 1 769 . 1 1 132 132 THR HG21 H 1 1.095 . . 1 . . . . 154 THR HG21 . 10137 1 770 . 1 1 132 132 THR HG22 H 1 1.095 . . 1 . . . . 154 THR HG21 . 10137 1 771 . 1 1 132 132 THR HG23 H 1 1.095 . . 1 . . . . 154 THR HG21 . 10137 1 772 . 1 1 133 133 LEU N N 15 124.355 . . 1 . . . . 155 LEU N . 10137 1 773 . 1 1 133 133 LEU H H 1 8.513 . . 1 . . . . 155 LEU HN . 10137 1 774 . 1 1 133 133 LEU CA C 13 53.298 . . 1 . . . . 155 LEU CA . 10137 1 775 . 1 1 133 133 LEU HA H 1 4.604 . . 1 . . . . 155 LEU HA . 10137 1 776 . 1 1 133 133 LEU CB C 13 44.494 . . 1 . . . . 155 LEU CB . 10137 1 777 . 1 1 133 133 LEU HB2 H 1 1.454 . . 2 . . . . 155 LEU HB1 . 10137 1 778 . 1 1 133 133 LEU CG C 13 26.745 . . 1 . . . . 155 LEU CG . 10137 1 779 . 1 1 133 133 LEU HG H 1 1.631 . . 1 . . . . 155 LEU HG . 10137 1 780 . 1 1 133 133 LEU CD1 C 13 25.849 . . 1 . . . . 155 LEU CD1 . 10137 1 781 . 1 1 133 133 LEU HD11 H 1 0.834 . . 2 . . . . 155 LEU HD11 . 10137 1 782 . 1 1 133 133 LEU HD12 H 1 0.834 . . 2 . . . . 155 LEU HD11 . 10137 1 783 . 1 1 133 133 LEU HD13 H 1 0.834 . . 2 . . . . 155 LEU HD11 . 10137 1 784 . 1 1 133 133 LEU CD2 C 13 24.69 . . 1 . . . . 155 LEU CD2 . 10137 1 785 . 1 1 133 133 LEU HD21 H 1 0.793 . . 2 . . . . 155 LEU HD21 . 10137 1 786 . 1 1 133 133 LEU HD22 H 1 0.793 . . 2 . . . . 155 LEU HD21 . 10137 1 787 . 1 1 133 133 LEU HD23 H 1 0.793 . . 2 . . . . 155 LEU HD21 . 10137 1 788 . 1 1 134 134 LYS N N 15 124.185 . . 1 . . . . 156 LYS N . 10137 1 789 . 1 1 134 134 LYS H H 1 8.212 . . 1 . . . . 156 LYS HN . 10137 1 790 . 1 1 134 134 LYS CA C 13 55.888 . . 1 . . . . 156 LYS CA . 10137 1 791 . 1 1 134 134 LYS HA H 1 4.345 . . 1 . . . . 156 LYS HA . 10137 1 792 . 1 1 134 134 LYS CB C 13 33.618 . . 1 . . . . 156 LYS CB . 10137 1 793 . 1 1 134 134 LYS HB3 H 1 1.754 . . 2 . . . . 156 LYS HB2 . 10137 1 794 . 1 1 134 134 LYS HB2 H 1 2.085 . . 2 . . . . 156 LYS HB1 . 10137 1 795 . 1 1 134 134 LYS CG C 13 25.241 . . 1 . . . . 156 LYS CG . 10137 1 796 . 1 1 134 134 LYS HG2 H 1 1.557 . . 2 . . . . 156 LYS HG1 . 10137 1 797 . 1 1 134 134 LYS CD C 13 29.475 . . 1 . . . . 156 LYS CD . 10137 1 798 . 1 1 134 134 LYS HD2 H 1 1.754 . . 2 . . . . 156 LYS HD1 . 10137 1 799 . 1 1 134 134 LYS CE C 13 41.893 . . 1 . . . . 156 LYS CE . 10137 1 800 . 1 1 134 134 LYS HE2 H 1 2.994 . . 2 . . . . 156 LYS HE1 . 10137 1 801 . 1 1 135 135 ASP N N 15 124.379 . . 1 . . . . 157 ASP N . 10137 1 802 . 1 1 135 135 ASP H H 1 8.932 . . 1 . . . . 157 ASP HN . 10137 1 803 . 1 1 135 135 ASP CA C 13 57.959 . . 1 . . . . 157 ASP CA . 10137 1 804 . 1 1 135 135 ASP HA H 1 4.119 . . 1 . . . . 157 ASP HA . 10137 1 805 . 1 1 135 135 ASP CB C 13 39.833 . . 1 . . . . 157 ASP CB . 10137 1 806 . 1 1 135 135 ASP HB3 H 1 2.56 . . 2 . . . . 157 ASP HB2 . 10137 1 807 . 1 1 135 135 ASP HB2 H 1 2.664 . . 2 . . . . 157 ASP HB1 . 10137 1 808 . 1 1 136 136 GLU N N 15 118.356 . . 1 . . . . 158 GLU N . 10137 1 809 . 1 1 136 136 GLU H H 1 9.551 . . 1 . . . . 158 GLU HN . 10137 1 810 . 1 1 136 136 GLU CA C 13 59.508 . . 1 . . . . 158 GLU CA . 10137 1 811 . 1 1 136 136 GLU HA H 1 4.107 . . 1 . . . . 158 GLU HA . 10137 1 812 . 1 1 136 136 GLU CB C 13 29.475 . . 1 . . . . 158 GLU CB . 10137 1 813 . 1 1 136 136 GLU HB3 H 1 1.971 . . 2 . . . . 158 GLU HB2 . 10137 1 814 . 1 1 136 136 GLU HB2 H 1 2.079 . . 2 . . . . 158 GLU HB1 . 10137 1 815 . 1 1 136 136 GLU CG C 13 36.725 . . 1 . . . . 158 GLU CG . 10137 1 816 . 1 1 136 136 GLU HG2 H 1 2.278 . . 2 . . . . 158 GLU HG1 . 10137 1 817 . 1 1 137 137 LEU N N 15 119.624 . . 1 . . . . 159 LEU N . 10137 1 818 . 1 1 137 137 LEU H H 1 7.24 . . 1 . . . . 159 LEU HN . 10137 1 819 . 1 1 137 137 LEU CA C 13 56.406 . . 1 . . . . 159 LEU CA . 10137 1 820 . 1 1 137 137 LEU HA H 1 4.066 . . 1 . . . . 159 LEU HA . 10137 1 821 . 1 1 137 137 LEU CB C 13 41.386 . . 1 . . . . 159 LEU CB . 10137 1 822 . 1 1 137 137 LEU HB3 H 1 1.463 . . 2 . . . . 159 LEU HB2 . 10137 1 823 . 1 1 137 137 LEU HB2 H 1 1.785 . . 2 . . . . 159 LEU HB1 . 10137 1 824 . 1 1 137 137 LEU CG C 13 27.403 . . 1 . . . . 159 LEU CG . 10137 1 825 . 1 1 137 137 LEU CD1 C 13 24.781 . . 1 . . . . 159 LEU CD1 . 10137 1 826 . 1 1 137 137 LEU HD11 H 1 0.716 . . 2 . . . . 159 LEU HD11 . 10137 1 827 . 1 1 137 137 LEU HD12 H 1 0.716 . . 2 . . . . 159 LEU HD11 . 10137 1 828 . 1 1 137 137 LEU HD13 H 1 0.716 . . 2 . . . . 159 LEU HD11 . 10137 1 829 . 1 1 137 137 LEU CD2 C 13 23.78 . . 1 . . . . 159 LEU CD2 . 10137 1 830 . 1 1 137 137 LEU HD21 H 1 0.483 . . 2 . . . . 159 LEU HD21 . 10137 1 831 . 1 1 137 137 LEU HD22 H 1 0.483 . . 2 . . . . 159 LEU HD21 . 10137 1 832 . 1 1 137 137 LEU HD23 H 1 0.483 . . 2 . . . . 159 LEU HD21 . 10137 1 833 . 1 1 138 138 LYS N N 15 119.814 . . 1 . . . . 160 LYS N . 10137 1 834 . 1 1 138 138 LYS H H 1 7.392 . . 1 . . . . 160 LYS HN . 10137 1 835 . 1 1 138 138 LYS CA C 13 60.632 . . 1 . . . . 160 LYS CA . 10137 1 836 . 1 1 138 138 LYS HA H 1 3.946 . . 1 . . . . 160 LYS HA . 10137 1 837 . 1 1 138 138 LYS CB C 13 31.534 . . 1 . . . . 160 LYS CB . 10137 1 838 . 1 1 138 138 LYS HB3 H 1 1.488 . . 2 . . . . 160 LYS HB2 . 10137 1 839 . 1 1 138 138 LYS HB2 H 1 1.794 . . 2 . . . . 160 LYS HB1 . 10137 1 840 . 1 1 138 138 LYS CG C 13 25.798 . . 1 . . . . 160 LYS CG . 10137 1 841 . 1 1 138 138 LYS HG2 H 1 1.275 . . 2 . . . . 160 LYS HG1 . 10137 1 842 . 1 1 138 138 LYS CD C 13 29.382 . . 1 . . . . 160 LYS CD . 10137 1 843 . 1 1 138 138 LYS HD2 H 1 1.102 . . 2 . . . . 160 LYS HD1 . 10137 1 844 . 1 1 138 138 LYS CE C 13 41.503 . . 1 . . . . 160 LYS CE . 10137 1 845 . 1 1 138 138 LYS HE2 H 1 2.322 . . 2 . . . . 160 LYS HE1 . 10137 1 846 . 1 1 139 139 GLU N N 15 119.823 . . 1 . . . . 161 GLU N . 10137 1 847 . 1 1 139 139 GLU H H 1 7.864 . . 1 . . . . 161 GLU HN . 10137 1 848 . 1 1 139 139 GLU CA C 13 59.52 . . 1 . . . . 161 GLU CA . 10137 1 849 . 1 1 139 139 GLU HA H 1 4.066 . . 1 . . . . 161 GLU HA . 10137 1 850 . 1 1 139 139 GLU CB C 13 28.904 . . 1 . . . . 161 GLU CB . 10137 1 851 . 1 1 139 139 GLU HB2 H 1 1.303 . . 2 . . . . 161 GLU HB1 . 10137 1 852 . 1 1 139 139 GLU HG3 H 1 1.601 . . 2 . . . . 161 GLU HG2 . 10137 1 853 . 1 1 139 139 GLU HG2 H 1 1.803 . . 2 . . . . 161 GLU HG1 . 10137 1 854 . 1 1 140 140 LYS N N 15 120.574 . . 1 . . . . 162 LYS N . 10137 1 855 . 1 1 140 140 LYS H H 1 7.786 . . 1 . . . . 162 LYS HN . 10137 1 856 . 1 1 140 140 LYS CA C 13 59.513 . . 1 . . . . 162 LYS CA . 10137 1 857 . 1 1 140 140 LYS HA H 1 4.068 . . 1 . . . . 162 LYS HA . 10137 1 858 . 1 1 140 140 LYS CB C 13 32.064 . . 1 . . . . 162 LYS CB . 10137 1 859 . 1 1 140 140 LYS HB3 H 1 1.806 . . 2 . . . . 162 LYS HB2 . 10137 1 860 . 1 1 140 140 LYS HB2 H 1 2.04 . . 2 . . . . 162 LYS HB1 . 10137 1 861 . 1 1 140 140 LYS CG C 13 23.778 . . 1 . . . . 162 LYS CG . 10137 1 862 . 1 1 140 140 LYS HG3 H 1 1.303 . . 2 . . . . 162 LYS HG2 . 10137 1 863 . 1 1 140 140 LYS HG2 H 1 1.601 . . 2 . . . . 162 LYS HG1 . 10137 1 864 . 1 1 140 140 LYS CD C 13 28.957 . . 1 . . . . 162 LYS CD . 10137 1 865 . 1 1 140 140 LYS HD2 H 1 1.707 . . 2 . . . . 162 LYS HD1 . 10137 1 866 . 1 1 140 140 LYS CE C 13 40.351 . . 1 . . . . 162 LYS CE . 10137 1 867 . 1 1 140 140 LYS HE3 H 1 2.793 . . 2 . . . . 162 LYS HE2 . 10137 1 868 . 1 1 140 140 LYS HE2 H 1 2.874 . . 2 . . . . 162 LYS HE1 . 10137 1 869 . 1 1 141 141 PHE N N 15 119.056 . . 1 . . . . 163 PHE N . 10137 1 870 . 1 1 141 141 PHE H H 1 8.557 . . 1 . . . . 163 PHE HN . 10137 1 871 . 1 1 141 141 PHE CA C 13 61.585 . . 1 . . . . 163 PHE CA . 10137 1 872 . 1 1 141 141 PHE HA H 1 4.387 . . 1 . . . . 163 PHE HA . 10137 1 873 . 1 1 141 141 PHE CB C 13 39.833 . . 1 . . . . 163 PHE CB . 10137 1 874 . 1 1 141 141 PHE HB2 H 1 3.36 . . 2 . . . . 163 PHE HB1 . 10137 1 875 . 1 1 141 141 PHE HD1 H 1 7.041 . . 3 . . . . 163 PHE HD1 . 10137 1 876 . 1 1 142 142 THR N N 15 120.25 . . 1 . . . . 164 THR N . 10137 1 877 . 1 1 142 142 THR H H 1 8.784 . . 1 . . . . 164 THR HN . 10137 1 878 . 1 1 142 142 THR CA C 13 67.282 . . 1 . . . . 164 THR CA . 10137 1 879 . 1 1 142 142 THR HA H 1 3.731 . . 1 . . . . 164 THR HA . 10137 1 880 . 1 1 142 142 THR CB C 13 67.8 . . 1 . . . . 164 THR CB . 10137 1 881 . 1 1 142 142 THR HB H 1 4.442 . . 1 . . . . 164 THR HB . 10137 1 882 . 1 1 142 142 THR CG2 C 13 21.706 . . 1 . . . . 164 THR CG2 . 10137 1 883 . 1 1 142 142 THR HG21 H 1 1.275 . . 1 . . . . 164 THR HG21 . 10137 1 884 . 1 1 142 142 THR HG22 H 1 1.275 . . 1 . . . . 164 THR HG21 . 10137 1 885 . 1 1 142 142 THR HG23 H 1 1.275 . . 1 . . . . 164 THR HG21 . 10137 1 886 . 1 1 143 143 THR N N 15 118.592 . . 1 . . . . 165 THR N . 10137 1 887 . 1 1 143 143 THR H H 1 8.597 . . 1 . . . . 165 THR HN . 10137 1 888 . 1 1 143 143 THR CA C 13 66.764 . . 1 . . . . 165 THR CA . 10137 1 889 . 1 1 143 143 THR HA H 1 3.731 . . 1 . . . . 165 THR HA . 10137 1 890 . 1 1 143 143 THR CB C 13 68.318 . . 1 . . . . 165 THR CB . 10137 1 891 . 1 1 143 143 THR HB H 1 4.245 . . 1 . . . . 165 THR HB . 10137 1 892 . 1 1 143 143 THR CG2 C 13 21.706 . . 1 . . . . 165 THR CG2 . 10137 1 893 . 1 1 143 143 THR HG21 H 1 1.243 . . 1 . . . . 165 THR HG21 . 10137 1 894 . 1 1 143 143 THR HG22 H 1 1.243 . . 1 . . . . 165 THR HG21 . 10137 1 895 . 1 1 143 143 THR HG23 H 1 1.243 . . 1 . . . . 165 THR HG21 . 10137 1 896 . 1 1 144 144 PHE N N 15 122.705 . . 1 . . . . 166 PHE N . 10137 1 897 . 1 1 144 144 PHE H H 1 8.293 . . 1 . . . . 166 PHE HN . 10137 1 898 . 1 1 144 144 PHE CA C 13 61.067 . . 1 . . . . 166 PHE CA . 10137 1 899 . 1 1 144 144 PHE HA H 1 4.149 . . 1 . . . . 166 PHE HA . 10137 1 900 . 1 1 144 144 PHE CB C 13 39.833 . . 1 . . . . 166 PHE CB . 10137 1 901 . 1 1 144 144 PHE HB3 H 1 2.838 . . 2 . . . . 166 PHE HB2 . 10137 1 902 . 1 1 144 144 PHE HB2 H 1 3.294 . . 2 . . . . 166 PHE HB1 . 10137 1 903 . 1 1 144 144 PHE HD1 H 1 6.989 . . 3 . . . . 166 PHE HD1 . 10137 1 904 . 1 1 145 145 SER N N 15 115.719 . . 1 . . . . 167 SER N . 10137 1 905 . 1 1 145 145 SER H H 1 8.035 . . 1 . . . . 167 SER HN . 10137 1 906 . 1 1 145 145 SER CA C 13 63.656 . . 1 . . . . 167 SER CA . 10137 1 907 . 1 1 145 145 SER HA H 1 3.282 . . 1 . . . . 167 SER HA . 10137 1 908 . 1 1 145 145 SER CB C 13 62.103 . . 1 . . . . 167 SER CB . 10137 1 909 . 1 1 145 145 SER HB3 H 1 3.04 . . 2 . . . . 167 SER HB2 . 10137 1 910 . 1 1 145 145 SER HB2 H 1 3.561 . . 2 . . . . 167 SER HB1 . 10137 1 911 . 1 1 146 146 LYS N N 15 121.473 . . 1 . . . . 168 LYS N . 10137 1 912 . 1 1 146 146 LYS H H 1 8.041 . . 1 . . . . 168 LYS HN . 10137 1 913 . 1 1 146 146 LYS CA C 13 58.477 . . 1 . . . . 168 LYS CA . 10137 1 914 . 1 1 146 146 LYS HA H 1 4.44 . . 1 . . . . 168 LYS HA . 10137 1 915 . 1 1 146 146 LYS CB C 13 32.064 . . 1 . . . . 168 LYS CB . 10137 1 916 . 1 1 146 146 LYS HB3 H 1 1.671 . . 2 . . . . 168 LYS HB2 . 10137 1 917 . 1 1 146 146 LYS HB2 H 1 1.774 . . 2 . . . . 168 LYS HB1 . 10137 1 918 . 1 1 146 146 LYS CG C 13 29.478 . . 1 . . . . 168 LYS CG . 10137 1 919 . 1 1 146 146 LYS HG2 H 1 1.563 . . 2 . . . . 168 LYS HG1 . 10137 1 920 . 1 1 146 146 LYS CD C 13 25.699 . . 1 . . . . 168 LYS CD . 10137 1 921 . 1 1 146 146 LYS HD3 H 1 1.556 . . 2 . . . . 168 LYS HD2 . 10137 1 922 . 1 1 146 146 LYS HD2 H 1 1.282 . . 2 . . . . 168 LYS HD1 . 10137 1 923 . 1 1 146 146 LYS CE C 13 41.386 . . 1 . . . . 168 LYS CE . 10137 1 924 . 1 1 146 146 LYS HE3 H 1 2.953 . . 2 . . . . 168 LYS HE2 . 10137 1 925 . 1 1 146 146 LYS HE2 H 1 3.17 . . 2 . . . . 168 LYS HE1 . 10137 1 926 . 1 1 147 147 ALA N N 15 123.496 . . 1 . . . . 169 ALA N . 10137 1 927 . 1 1 147 147 ALA H H 1 7.701 . . 1 . . . . 169 ALA HN . 10137 1 928 . 1 1 147 147 ALA CA C 13 53.816 . . 1 . . . . 169 ALA CA . 10137 1 929 . 1 1 147 147 ALA HA H 1 4.065 . . 1 . . . . 169 ALA HA . 10137 1 930 . 1 1 147 147 ALA CB C 13 17.045 . . 1 . . . . 169 ALA CB . 10137 1 931 . 1 1 147 147 ALA HB1 H 1 1.32 . . 1 . . . . 169 ALA HB1 . 10137 1 932 . 1 1 147 147 ALA HB2 H 1 1.32 . . 1 . . . . 169 ALA HB1 . 10137 1 933 . 1 1 147 147 ALA HB3 H 1 1.32 . . 1 . . . . 169 ALA HB1 . 10137 1 934 . 1 1 148 148 GLN N N 15 113.873 . . 1 . . . . 170 GLN N . 10137 1 935 . 1 1 148 148 GLN H H 1 7.056 . . 1 . . . . 170 GLN HN . 10137 1 936 . 1 1 148 148 GLN CA C 13 52.78 . . 1 . . . . 170 GLN CA . 10137 1 937 . 1 1 148 148 GLN HA H 1 4.161 . . 1 . . . . 170 GLN HA . 10137 1 938 . 1 1 148 148 GLN CB C 13 26.885 . . 1 . . . . 170 GLN CB . 10137 1 939 . 1 1 148 148 GLN HB3 H 1 1.354 . . 2 . . . . 170 GLN HB2 . 10137 1 940 . 1 1 148 148 GLN HB2 H 1 2.097 . . 2 . . . . 170 GLN HB1 . 10137 1 941 . 1 1 148 148 GLN CG C 13 31.028 . . 1 . . . . 170 GLN CG . 10137 1 942 . 1 1 148 148 GLN HG2 H 1 1.542 . . 2 . . . . 170 GLN HG1 . 10137 1 943 . 1 1 149 149 GLY N N 15 106.345 . . 1 . . . . 171 GLY N . 10137 1 944 . 1 1 149 149 GLY H H 1 7.644 . . 1 . . . . 171 GLY HN . 10137 1 945 . 1 1 149 149 GLY CA C 13 45.271 . . 1 . . . . 171 GLY CA . 10137 1 946 . 1 1 149 149 GLY HA3 H 1 3.64 . . 2 . . . . 171 GLY HA2 . 10137 1 947 . 1 1 149 149 GLY HA2 H 1 4.085 . . 2 . . . . 171 GLY HA1 . 10137 1 948 . 1 1 150 150 LEU N N 15 120.967 . . 1 . . . . 172 LEU N . 10137 1 949 . 1 1 150 150 LEU H H 1 7.356 . . 1 . . . . 172 LEU HN . 10137 1 950 . 1 1 150 150 LEU CA C 13 53.298 . . 1 . . . . 172 LEU CA . 10137 1 951 . 1 1 150 150 LEU HA H 1 4.554 . . 1 . . . . 172 LEU HA . 10137 1 952 . 1 1 150 150 LEU CB C 13 40.869 . . 1 . . . . 172 LEU CB . 10137 1 953 . 1 1 150 150 LEU HB2 H 1 1.309 . . 2 . . . . 172 LEU HB1 . 10137 1 954 . 1 1 150 150 LEU CG C 13 27.403 . . 1 . . . . 172 LEU CG . 10137 1 955 . 1 1 150 150 LEU HG H 1 1.012 . . 1 . . . . 172 LEU HG . 10137 1 956 . 1 1 150 150 LEU CD1 C 13 23.778 . . 1 . . . . 172 LEU CD1 . 10137 1 957 . 1 1 150 150 LEU HD11 H 1 0.654 . . 2 . . . . 172 LEU HD11 . 10137 1 958 . 1 1 150 150 LEU HD12 H 1 0.654 . . 2 . . . . 172 LEU HD11 . 10137 1 959 . 1 1 150 150 LEU HD13 H 1 0.654 . . 2 . . . . 172 LEU HD11 . 10137 1 960 . 1 1 150 150 LEU CD2 C 13 25.331 . . 1 . . . . 172 LEU CD2 . 10137 1 961 . 1 1 150 150 LEU HD21 H 1 0.593 . . 2 . . . . 172 LEU HD21 . 10137 1 962 . 1 1 150 150 LEU HD22 H 1 0.593 . . 2 . . . . 172 LEU HD21 . 10137 1 963 . 1 1 150 150 LEU HD23 H 1 0.593 . . 2 . . . . 172 LEU HD21 . 10137 1 964 . 1 1 151 151 THR N N 15 111.812 . . 1 . . . . 173 THR N . 10137 1 965 . 1 1 151 151 THR H H 1 9.062 . . 1 . . . . 173 THR HN . 10137 1 966 . 1 1 151 151 THR CA C 13 60.031 . . 1 . . . . 173 THR CA . 10137 1 967 . 1 1 151 151 THR HA H 1 4.58 . . 1 . . . . 173 THR HA . 10137 1 968 . 1 1 151 151 THR CB C 13 71.425 . . 1 . . . . 173 THR CB . 10137 1 969 . 1 1 151 151 THR HB H 1 4.493 . . 1 . . . . 173 THR HB . 10137 1 970 . 1 1 151 151 THR CG2 C 13 21.706 . . 1 . . . . 173 THR CG2 . 10137 1 971 . 1 1 151 151 THR HG21 H 1 1.199 . . 1 . . . . 173 THR HG21 . 10137 1 972 . 1 1 151 151 THR HG22 H 1 1.199 . . 1 . . . . 173 THR HG21 . 10137 1 973 . 1 1 151 151 THR HG23 H 1 1.199 . . 1 . . . . 173 THR HG21 . 10137 1 974 . 1 1 152 152 GLU N N 15 118.607 . . 1 . . . . 174 GLU N . 10137 1 975 . 1 1 152 152 GLU H H 1 9.127 . . 1 . . . . 174 GLU HN . 10137 1 976 . 1 1 152 152 GLU CA C 13 60.549 . . 1 . . . . 174 GLU CA . 10137 1 977 . 1 1 152 152 GLU HA H 1 3.882 . . 1 . . . . 174 GLU HA . 10137 1 978 . 1 1 152 152 GLU CB C 13 29.475 . . 1 . . . . 174 GLU CB . 10137 1 979 . 1 1 152 152 GLU HB2 H 1 2.068 . . 2 . . . . 174 GLU HB1 . 10137 1 980 . 1 1 152 152 GLU CG C 13 37.243 . . 1 . . . . 174 GLU CG . 10137 1 981 . 1 1 152 152 GLU HG3 H 1 2.308 . . 2 . . . . 174 GLU HG2 . 10137 1 982 . 1 1 152 152 GLU HG2 H 1 2.404 . . 2 . . . . 174 GLU HG1 . 10137 1 983 . 1 1 153 153 GLU N N 15 115.804 . . 1 . . . . 175 GLU N . 10137 1 984 . 1 1 153 153 GLU H H 1 8.125 . . 1 . . . . 175 GLU HN . 10137 1 985 . 1 1 153 153 GLU CA C 13 57.959 . . 1 . . . . 175 GLU CA . 10137 1 986 . 1 1 153 153 GLU HA H 1 4.147 . . 1 . . . . 175 GLU HA . 10137 1 987 . 1 1 153 153 GLU CB C 13 29.475 . . 1 . . . . 175 GLU CB . 10137 1 988 . 1 1 153 153 GLU HB3 H 1 1.906 . . 2 . . . . 175 GLU HB2 . 10137 1 989 . 1 1 153 153 GLU HB2 H 1 2.011 . . 2 . . . . 175 GLU HB1 . 10137 1 990 . 1 1 153 153 GLU CG C 13 36.725 . . 1 . . . . 175 GLU CG . 10137 1 991 . 1 1 153 153 GLU HG2 H 1 2.275 . . 2 . . . . 175 GLU HG1 . 10137 1 992 . 1 1 154 154 ASP N N 15 118.756 . . 1 . . . . 176 ASP N . 10137 1 993 . 1 1 154 154 ASP H H 1 7.826 . . 1 . . . . 176 ASP HN . 10137 1 994 . 1 1 154 154 ASP CA C 13 54.334 . . 1 . . . . 176 ASP CA . 10137 1 995 . 1 1 154 154 ASP HA H 1 4.86 . . 1 . . . . 176 ASP HA . 10137 1 996 . 1 1 154 154 ASP CB C 13 42.94 . . 1 . . . . 176 ASP CB . 10137 1 997 . 1 1 154 154 ASP HB3 H 1 2.723 . . 2 . . . . 176 ASP HB2 . 10137 1 998 . 1 1 154 154 ASP HB2 H 1 3.171 . . 2 . . . . 176 ASP HB1 . 10137 1 999 . 1 1 155 155 ILE N N 15 117.351 . . 1 . . . . 177 ILE N . 10137 1 1000 . 1 1 155 155 ILE H H 1 7.114 . . 1 . . . . 177 ILE HN . 10137 1 1001 . 1 1 155 155 ILE CA C 13 61.082 . . 1 . . . . 177 ILE CA . 10137 1 1002 . 1 1 155 155 ILE HA H 1 4.332 . . 1 . . . . 177 ILE HA . 10137 1 1003 . 1 1 155 155 ILE CB C 13 40.282 . . 1 . . . . 177 ILE CB . 10137 1 1004 . 1 1 155 155 ILE HB H 1 1.707 . . 1 . . . . 177 ILE HB . 10137 1 1005 . 1 1 155 155 ILE CG1 C 13 26.827 . . 1 . . . . 177 ILE CG1 . 10137 1 1006 . 1 1 155 155 ILE CD1 C 13 16.133 . . 1 . . . . 177 ILE CD1 . 10137 1 1007 . 1 1 155 155 ILE HD11 H 1 0.513 . . 1 . . . . 177 ILE HD11 . 10137 1 1008 . 1 1 155 155 ILE HD12 H 1 0.513 . . 1 . . . . 177 ILE HD11 . 10137 1 1009 . 1 1 155 155 ILE HD13 H 1 0.513 . . 1 . . . . 177 ILE HD11 . 10137 1 1010 . 1 1 155 155 ILE CG2 C 13 17.602 . . 1 . . . . 177 ILE CG2 . 10137 1 1011 . 1 1 155 155 ILE HG21 H 1 0.704 . . 1 . . . . 177 ILE HG21 . 10137 1 1012 . 1 1 155 155 ILE HG22 H 1 0.704 . . 1 . . . . 177 ILE HG21 . 10137 1 1013 . 1 1 155 155 ILE HG23 H 1 0.704 . . 1 . . . . 177 ILE HG21 . 10137 1 1014 . 1 1 156 156 VAL N N 15 126.284 . . 1 . . . . 178 VAL N . 10137 1 1015 . 1 1 156 156 VAL H H 1 9.224 . . 1 . . . . 178 VAL HN . 10137 1 1016 . 1 1 156 156 VAL CA C 13 60.436 . . 1 . . . . 178 VAL CA . 10137 1 1017 . 1 1 156 156 VAL HA H 1 4.52 . . 1 . . . . 178 VAL HA . 10137 1 1018 . 1 1 156 156 VAL CB C 13 36.207 . . 1 . . . . 178 VAL CB . 10137 1 1019 . 1 1 156 156 VAL HB H 1 2.059 . . 1 . . . . 178 VAL HB . 10137 1 1020 . 1 1 156 156 VAL CG1 C 13 21.706 . . 1 . . . . 178 VAL CG1 . 10137 1 1021 . 1 1 156 156 VAL HG11 H 1 0.961 . . 1 . . . . 178 VAL HG11 . 10137 1 1022 . 1 1 156 156 VAL HG12 H 1 0.961 . . 1 . . . . 178 VAL HG11 . 10137 1 1023 . 1 1 156 156 VAL HG13 H 1 0.961 . . 1 . . . . 178 VAL HG11 . 10137 1 1024 . 1 1 157 157 PHE N N 15 124.737 . . 1 . . . . 179 PHE N . 10137 1 1025 . 1 1 157 157 PHE H H 1 8.68 . . 1 . . . . 179 PHE HN . 10137 1 1026 . 1 1 157 157 PHE CA C 13 57.959 . . 1 . . . . 179 PHE CA . 10137 1 1027 . 1 1 157 157 PHE HA H 1 5.017 . . 1 . . . . 179 PHE HA . 10137 1 1028 . 1 1 157 157 PHE CB C 13 38.279 . . 1 . . . . 179 PHE CB . 10137 1 1029 . 1 1 157 157 PHE HB3 H 1 2.902 . . 2 . . . . 179 PHE HB2 . 10137 1 1030 . 1 1 157 157 PHE HB2 H 1 3.163 . . 2 . . . . 179 PHE HB1 . 10137 1 1031 . 1 1 157 157 PHE HD1 H 1 7.252 . . 3 . . . . 179 PHE HD1 . 10137 1 1032 . 1 1 158 158 LEU N N 15 125.619 . . 1 . . . . 180 LEU N . 10137 1 1033 . 1 1 158 158 LEU H H 1 7.511 . . 1 . . . . 180 LEU HN . 10137 1 1034 . 1 1 158 158 LEU CA C 13 52.78 . . 1 . . . . 180 LEU CA . 10137 1 1035 . 1 1 158 158 LEU HA H 1 4.384 . . 1 . . . . 180 LEU HA . 10137 1 1036 . 1 1 158 158 LEU CB C 13 41.386 . . 1 . . . . 180 LEU CB . 10137 1 1037 . 1 1 158 158 LEU HB3 H 1 1.346 . . 2 . . . . 180 LEU HB2 . 10137 1 1038 . 1 1 158 158 LEU HB2 H 1 1.682 . . 2 . . . . 180 LEU HB1 . 10137 1 1039 . 1 1 158 158 LEU CG C 13 27.921 . . 1 . . . . 180 LEU CG . 10137 1 1040 . 1 1 158 158 LEU CD1 C 13 24.368 . . 1 . . . . 180 LEU CD1 . 10137 1 1041 . 1 1 158 158 LEU HD11 H 1 0.716 . . 2 . . . . 180 LEU HD11 . 10137 1 1042 . 1 1 158 158 LEU HD12 H 1 0.716 . . 2 . . . . 180 LEU HD11 . 10137 1 1043 . 1 1 158 158 LEU HD13 H 1 0.716 . . 2 . . . . 180 LEU HD11 . 10137 1 1044 . 1 1 158 158 LEU CD2 C 13 24.889 . . 1 . . . . 180 LEU CD2 . 10137 1 1045 . 1 1 158 158 LEU HD21 H 1 0.774 . . 2 . . . . 180 LEU HD21 . 10137 1 1046 . 1 1 158 158 LEU HD22 H 1 0.774 . . 2 . . . . 180 LEU HD21 . 10137 1 1047 . 1 1 158 158 LEU HD23 H 1 0.774 . . 2 . . . . 180 LEU HD21 . 10137 1 1048 . 1 1 159 159 PRO CA C 13 62.103 . . 1 . . . . 181 PRO CA . 10137 1 1049 . 1 1 159 159 PRO HA H 1 4.73 . . 1 . . . . 181 PRO HA . 10137 1 1050 . 1 1 159 159 PRO CB C 13 32.582 . . 1 . . . . 181 PRO CB . 10137 1 1051 . 1 1 159 159 PRO HB3 H 1 2.115 . . 2 . . . . 181 PRO HB2 . 10137 1 1052 . 1 1 159 159 PRO HB2 H 1 2.348 . . 2 . . . . 181 PRO HB1 . 10137 1 1053 . 1 1 159 159 PRO CG C 13 27.014 . . 1 . . . . 181 PRO CG . 10137 1 1054 . 1 1 159 159 PRO HG2 H 1 2.075 . . 2 . . . . 181 PRO HG1 . 10137 1 1055 . 1 1 159 159 PRO CD C 13 50.716 . . 1 . . . . 181 PRO CD . 10137 1 1056 . 1 1 159 159 PRO HD3 H 1 3.65 . . 2 . . . . 181 PRO HD2 . 10137 1 1057 . 1 1 159 159 PRO HD2 H 1 3.95 . . 2 . . . . 181 PRO HD1 . 10137 1 1058 . 1 1 160 160 GLN N N 15 120.237 . . 1 . . . . 182 GLN N . 10137 1 1059 . 1 1 160 160 GLN H H 1 8.646 . . 1 . . . . 182 GLN HN . 10137 1 1060 . 1 1 160 160 GLN CA C 13 54.334 . . 1 . . . . 182 GLN CA . 10137 1 1061 . 1 1 160 160 GLN HA H 1 4.583 . . 1 . . . . 182 GLN HA . 10137 1 1062 . 1 1 160 160 GLN CB C 13 28.439 . . 1 . . . . 182 GLN CB . 10137 1 1063 . 1 1 160 160 GLN HB3 H 1 1.988 . . 2 . . . . 182 GLN HB2 . 10137 1 1064 . 1 1 160 160 GLN HB2 H 1 2.185 . . 2 . . . . 182 GLN HB1 . 10137 1 1065 . 1 1 160 160 GLN CG C 13 34.136 . . 1 . . . . 182 GLN CG . 10137 1 1066 . 1 1 161 161 PRO CA C 13 63.138 . . 1 . . . . 183 PRO CA . 10137 1 1067 . 1 1 161 161 PRO HA H 1 4.27 . . 1 . . . . 183 PRO HA . 10137 1 1068 . 1 1 161 161 PRO CB C 13 32.064 . . 1 . . . . 183 PRO CB . 10137 1 1069 . 1 1 161 161 PRO HB3 H 1 1.914 . . 2 . . . . 183 PRO HB2 . 10137 1 1070 . 1 1 161 161 PRO HB2 H 1 1.99 . . 2 . . . . 183 PRO HB1 . 10137 1 1071 . 1 1 161 161 PRO CG C 13 27.403 . . 1 . . . . 183 PRO CG . 10137 1 1072 . 1 1 161 161 PRO CD C 13 50.709 . . 1 . . . . 183 PRO CD . 10137 1 1073 . 1 1 162 162 ASP N N 15 119.751 . . 1 . . . . 184 ASP N . 10137 1 1074 . 1 1 162 162 ASP H H 1 8.181 . . 1 . . . . 184 ASP HN . 10137 1 1075 . 1 1 162 162 ASP CA C 13 54.635 . . 1 . . . . 184 ASP CA . 10137 1 1076 . 1 1 162 162 ASP HA H 1 4.457 . . 1 . . . . 184 ASP HA . 10137 1 1077 . 1 1 162 162 ASP CB C 13 40.869 . . 1 . . . . 184 ASP CB . 10137 1 1078 . 1 1 162 162 ASP HB2 H 1 2.652 . . 2 . . . . 184 ASP HB1 . 10137 1 1079 . 1 1 163 163 LYS N N 15 120.664 . . 1 . . . . 185 LYS N . 10137 1 1080 . 1 1 163 163 LYS H H 1 8.016 . . 1 . . . . 185 LYS HN . 10137 1 1081 . 1 1 163 163 LYS CA C 13 56.25 . . 1 . . . . 185 LYS CA . 10137 1 1082 . 1 1 163 163 LYS HA H 1 4.229 . . 1 . . . . 185 LYS HA . 10137 1 1083 . 1 1 163 163 LYS CB C 13 33.1 . . 1 . . . . 185 LYS CB . 10137 1 1084 . 1 1 163 163 LYS HB3 H 1 1.752 . . 2 . . . . 185 LYS HB2 . 10137 1 1085 . 1 1 163 163 LYS HB2 H 1 1.845 . . 2 . . . . 185 LYS HB1 . 10137 1 1086 . 1 1 163 163 LYS CG C 13 24.814 . . 1 . . . . 185 LYS CG . 10137 1 1087 . 1 1 163 163 LYS HG2 H 1 1.429 . . 2 . . . . 185 LYS HG1 . 10137 1 1088 . 1 1 163 163 LYS CD C 13 28.957 . . 1 . . . . 185 LYS CD . 10137 1 1089 . 1 1 163 163 LYS HD2 H 1 1.678 . . 2 . . . . 185 LYS HD1 . 10137 1 1090 . 1 1 163 163 LYS CE C 13 41.904 . . 1 . . . . 185 LYS CE . 10137 1 1091 . 1 1 163 163 LYS HE2 H 1 2.995 . . 2 . . . . 185 LYS HE1 . 10137 1 1092 . 1 1 164 164 CYS N N 15 123.944 . . 1 . . . . 186 CYS N . 10137 1 1093 . 1 1 164 164 CYS H H 1 8.218 . . 1 . . . . 186 CYS HN . 10137 1 1094 . 1 1 164 164 CYS CA C 13 52.799 . . 1 . . . . 186 CYS CA . 10137 1 1095 . 1 1 164 164 CYS HA H 1 4.285 . . 1 . . . . 186 CYS HA . 10137 1 1096 . 1 1 164 164 CYS CB C 13 19.117 . . 1 . . . . 186 CYS CB . 10137 1 1097 . 1 1 164 164 CYS HB2 H 1 1.356 . . 1 . . . . 186 CYS HB1 . 10137 1 1098 . 1 1 165 165 ILE N N 15 119.415 . . 1 . . . . 187 ILE N . 10137 1 1099 . 1 1 165 165 ILE H H 1 8.021 . . 1 . . . . 187 ILE HN . 10137 1 1100 . 1 1 165 165 ILE CA C 13 61.067 . . 1 . . . . 187 ILE CA . 10137 1 1101 . 1 1 165 165 ILE HA H 1 4.113 . . 1 . . . . 187 ILE HA . 10137 1 1102 . 1 1 165 165 ILE CB C 13 38.797 . . 1 . . . . 187 ILE CB . 10137 1 1103 . 1 1 165 165 ILE HB H 1 1.87 . . 1 . . . . 187 ILE HB . 10137 1 1104 . 1 1 165 165 ILE CG1 C 13 27.403 . . 1 . . . . 187 ILE CG1 . 10137 1 1105 . 1 1 165 165 ILE HG13 H 1 1.186 . . 4 . . . . 187 ILE HG12 . 10137 1 1106 . 1 1 165 165 ILE HG12 H 1 1.486 . . 4 . . . . 187 ILE HG11 . 10137 1 1107 . 1 1 165 165 ILE CD1 C 13 13.42 . . 1 . . . . 187 ILE CD1 . 10137 1 1108 . 1 1 165 165 ILE HD11 H 1 0.851 . . 1 . . . . 187 ILE HD11 . 10137 1 1109 . 1 1 165 165 ILE HD12 H 1 0.851 . . 1 . . . . 187 ILE HD11 . 10137 1 1110 . 1 1 165 165 ILE HD13 H 1 0.851 . . 1 . . . . 187 ILE HD11 . 10137 1 1111 . 1 1 165 165 ILE CG2 C 13 17.563 . . 1 . . . . 187 ILE CG2 . 10137 1 1112 . 1 1 165 165 ILE HG21 H 1 0.906 . . 4 . . . . 187 ILE HG21 . 10137 1 1113 . 1 1 165 165 ILE HG22 H 1 0.906 . . 4 . . . . 187 ILE HG21 . 10137 1 1114 . 1 1 165 165 ILE HG23 H 1 0.906 . . 4 . . . . 187 ILE HG21 . 10137 1 1115 . 1 1 166 166 GLN N N 15 124.792 . . 1 . . . . 188 GLN N . 10137 1 1116 . 1 1 166 166 GLN H H 1 8.307 . . 1 . . . . 188 GLN HN . 10137 1 1117 . 1 1 166 166 GLN CA C 13 55.888 . . 1 . . . . 188 GLN CA . 10137 1 1118 . 1 1 166 166 GLN HA H 1 4.342 . . 1 . . . . 188 GLN HA . 10137 1 1119 . 1 1 166 166 GLN CB C 13 29.475 . . 1 . . . . 188 GLN CB . 10137 1 1120 . 1 1 166 166 GLN HB3 H 1 1.956 . . 2 . . . . 188 GLN HB2 . 10137 1 1121 . 1 1 166 166 GLN HB2 H 1 2.1 . . 2 . . . . 188 GLN HB1 . 10137 1 1122 . 1 1 166 166 GLN CG C 13 33.618 . . 1 . . . . 188 GLN CG . 10137 1 1123 . 1 1 166 166 GLN HG2 H 1 2.337 . . 2 . . . . 188 GLN HG1 . 10137 1 1124 . 1 1 167 167 GLU N N 15 128.308 . . 1 . . . . 189 GLU N . 10137 1 1125 . 1 1 167 167 GLU H H 1 8.061 . . 1 . . . . 189 GLU HN . 10137 1 1126 . 1 1 167 167 GLU CA C 13 57.959 . . 1 . . . . 189 GLU CA . 10137 1 1127 . 1 1 167 167 GLU HA H 1 4.119 . . 1 . . . . 189 GLU HA . 10137 1 1128 . 1 1 167 167 GLU CB C 13 31.028 . . 1 . . . . 189 GLU CB . 10137 1 1129 . 1 1 167 167 GLU HB3 H 1 1.888 . . 2 . . . . 189 GLU HB2 . 10137 1 1130 . 1 1 167 167 GLU HB2 H 1 2.041 . . 2 . . . . 189 GLU HB1 . 10137 1 1131 . 1 1 167 167 GLU CG C 13 36.725 . . 1 . . . . 189 GLU CG . 10137 1 1132 . 1 1 167 167 GLU HG2 H 1 2.197 . . 2 . . . . 189 GLU HG1 . 10137 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 316 10137 1 1 317 10137 1 1 323 10137 1 1 324 10137 1 1 325 10137 1 2 1105 10137 1 2 1106 10137 1 2 1112 10137 1 2 1113 10137 1 2 1114 10137 1 stop_ save_