data_34225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34225 _Entry.Title ; Solution structure of a last generation P2-P4 macrocyclic inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-29 _Entry.Accession_date 2017-12-29 _Entry.Last_release_date 2019-01-22 _Entry.Original_release_date 2019-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34225 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Gallo M. . . . 34225 2 T. Eliseo T. . . . 34225 3 D. Cicero D. O. . . 34225 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Complex . 34225 HCV . 34225 Inhibitor . 34225 'NS3 Protease' . 34225 'VIRAL PROTEIN' . 34225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 34225 '15N chemical shifts' 137 34225 '1H chemical shifts' 918 34225 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 . . 2019-01-28 . original BMRB . 34225 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FE6 . 34225 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34225 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Gallo M. . . . 34225 1 2 T. Eliseo T. . . . 34225 1 3 E. Monteagudo E. S. . . 34225 1 4 S. Sabetta S. . . . 34225 1 5 M. Paci M. . . . 34225 1 6 V. Summa V. . . . 34225 1 7 D. Cicero D. O. . . 34225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34225 _Assembly.ID 1 _Assembly.Name 'Non-structural 3 protease' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34225 1 2 entity_2 2 $entity_4P2 B A no . . . . . . 34225 1 3 entity_3 3 $entity_ZN C A no . . . . . . 34225 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 76 76 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34225 1 2 coordination single . 1 . 1 CYS 78 78 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . . . 34225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TGRDKNQVEGEVQVVSTATQ SFLATCVNGVCWTVYHGAGS KTLAGPKGPITQMYTNVDQD LVGWQAPPGARSLTPCTCGS SDLYLVTRHADVIPVRRRGD SRGSLLSPRPVSYLKGSSGG PLLCPSGHAVGIFRAAVCTR GVAKAVDFVPVESMETTMRA SKKKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17444.971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; NS3 protein plus a solubilizing hexapeptide tail (ASKKKK) Complex with P2P4 macrocyclic inhibitor ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 22 THR . 34225 1 2 23 GLY . 34225 1 3 24 ARG . 34225 1 4 25 ASP . 34225 1 5 26 LYS . 34225 1 6 27 ASN . 34225 1 7 28 GLN . 34225 1 8 29 VAL . 34225 1 9 30 GLU . 34225 1 10 31 GLY . 34225 1 11 32 GLU . 34225 1 12 33 VAL . 34225 1 13 34 GLN . 34225 1 14 35 VAL . 34225 1 15 36 VAL . 34225 1 16 37 SER . 34225 1 17 38 THR . 34225 1 18 39 ALA . 34225 1 19 40 THR . 34225 1 20 41 GLN . 34225 1 21 42 SER . 34225 1 22 43 PHE . 34225 1 23 44 LEU . 34225 1 24 45 ALA . 34225 1 25 46 THR . 34225 1 26 47 CYS . 34225 1 27 48 VAL . 34225 1 28 49 ASN . 34225 1 29 50 GLY . 34225 1 30 51 VAL . 34225 1 31 52 CYS . 34225 1 32 53 TRP . 34225 1 33 54 THR . 34225 1 34 55 VAL . 34225 1 35 56 TYR . 34225 1 36 57 HIS . 34225 1 37 58 GLY . 34225 1 38 59 ALA . 34225 1 39 60 GLY . 34225 1 40 61 SER . 34225 1 41 62 LYS . 34225 1 42 63 THR . 34225 1 43 64 LEU . 34225 1 44 65 ALA . 34225 1 45 66 GLY . 34225 1 46 67 PRO . 34225 1 47 68 LYS . 34225 1 48 69 GLY . 34225 1 49 70 PRO . 34225 1 50 71 ILE . 34225 1 51 72 THR . 34225 1 52 73 GLN . 34225 1 53 74 MET . 34225 1 54 75 TYR . 34225 1 55 76 THR . 34225 1 56 77 ASN . 34225 1 57 78 VAL . 34225 1 58 79 ASP . 34225 1 59 80 GLN . 34225 1 60 81 ASP . 34225 1 61 82 LEU . 34225 1 62 83 VAL . 34225 1 63 84 GLY . 34225 1 64 85 TRP . 34225 1 65 86 GLN . 34225 1 66 87 ALA . 34225 1 67 88 PRO . 34225 1 68 89 PRO . 34225 1 69 90 GLY . 34225 1 70 91 ALA . 34225 1 71 92 ARG . 34225 1 72 93 SER . 34225 1 73 94 LEU . 34225 1 74 95 THR . 34225 1 75 96 PRO . 34225 1 76 97 CYS . 34225 1 77 98 THR . 34225 1 78 99 CYS . 34225 1 79 100 GLY . 34225 1 80 101 SER . 34225 1 81 102 SER . 34225 1 82 103 ASP . 34225 1 83 104 LEU . 34225 1 84 105 TYR . 34225 1 85 106 LEU . 34225 1 86 107 VAL . 34225 1 87 108 THR . 34225 1 88 109 ARG . 34225 1 89 110 HIS . 34225 1 90 111 ALA . 34225 1 91 112 ASP . 34225 1 92 113 VAL . 34225 1 93 114 ILE . 34225 1 94 115 PRO . 34225 1 95 116 VAL . 34225 1 96 117 ARG . 34225 1 97 118 ARG . 34225 1 98 119 ARG . 34225 1 99 120 GLY . 34225 1 100 121 ASP . 34225 1 101 122 SER . 34225 1 102 123 ARG . 34225 1 103 124 GLY . 34225 1 104 125 SER . 34225 1 105 126 LEU . 34225 1 106 127 LEU . 34225 1 107 128 SER . 34225 1 108 129 PRO . 34225 1 109 130 ARG . 34225 1 110 131 PRO . 34225 1 111 132 VAL . 34225 1 112 133 SER . 34225 1 113 134 TYR . 34225 1 114 135 LEU . 34225 1 115 136 LYS . 34225 1 116 137 GLY . 34225 1 117 138 SER . 34225 1 118 139 SER . 34225 1 119 140 GLY . 34225 1 120 141 GLY . 34225 1 121 142 PRO . 34225 1 122 143 LEU . 34225 1 123 144 LEU . 34225 1 124 145 CYS . 34225 1 125 146 PRO . 34225 1 126 147 SER . 34225 1 127 148 GLY . 34225 1 128 149 HIS . 34225 1 129 150 ALA . 34225 1 130 151 VAL . 34225 1 131 152 GLY . 34225 1 132 153 ILE . 34225 1 133 154 PHE . 34225 1 134 155 ARG . 34225 1 135 156 ALA . 34225 1 136 157 ALA . 34225 1 137 158 VAL . 34225 1 138 159 CYS . 34225 1 139 160 THR . 34225 1 140 161 ARG . 34225 1 141 162 GLY . 34225 1 142 163 VAL . 34225 1 143 164 ALA . 34225 1 144 165 LYS . 34225 1 145 166 ALA . 34225 1 146 167 VAL . 34225 1 147 168 ASP . 34225 1 148 169 PHE . 34225 1 149 170 VAL . 34225 1 150 171 PRO . 34225 1 151 172 VAL . 34225 1 152 173 GLU . 34225 1 153 174 SER . 34225 1 154 175 MET . 34225 1 155 176 GLU . 34225 1 156 177 THR . 34225 1 157 178 THR . 34225 1 158 179 MET . 34225 1 159 180 ARG . 34225 1 160 181 ALA . 34225 1 161 182 SER . 34225 1 162 183 LYS . 34225 1 163 184 LYS . 34225 1 164 185 LYS . 34225 1 165 186 LYS . 34225 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 . THR 1 1 34225 1 . GLY 2 2 34225 1 . ARG 3 3 34225 1 . ASP 4 4 34225 1 . LYS 5 5 34225 1 . ASN 6 6 34225 1 . GLN 7 7 34225 1 . VAL 8 8 34225 1 . GLU 9 9 34225 1 . GLY 10 10 34225 1 . GLU 11 11 34225 1 . VAL 12 12 34225 1 . GLN 13 13 34225 1 . VAL 14 14 34225 1 . VAL 15 15 34225 1 . SER 16 16 34225 1 . THR 17 17 34225 1 . ALA 18 18 34225 1 . THR 19 19 34225 1 . GLN 20 20 34225 1 . SER 21 21 34225 1 . PHE 22 22 34225 1 . LEU 23 23 34225 1 . ALA 24 24 34225 1 . THR 25 25 34225 1 . CYS 26 26 34225 1 . VAL 27 27 34225 1 . ASN 28 28 34225 1 . GLY 29 29 34225 1 . VAL 30 30 34225 1 . CYS 31 31 34225 1 . TRP 32 32 34225 1 . THR 33 33 34225 1 . VAL 34 34 34225 1 . TYR 35 35 34225 1 . HIS 36 36 34225 1 . GLY 37 37 34225 1 . ALA 38 38 34225 1 . GLY 39 39 34225 1 . SER 40 40 34225 1 . LYS 41 41 34225 1 . THR 42 42 34225 1 . LEU 43 43 34225 1 . ALA 44 44 34225 1 . GLY 45 45 34225 1 . PRO 46 46 34225 1 . LYS 47 47 34225 1 . GLY 48 48 34225 1 . PRO 49 49 34225 1 . ILE 50 50 34225 1 . THR 51 51 34225 1 . GLN 52 52 34225 1 . MET 53 53 34225 1 . TYR 54 54 34225 1 . THR 55 55 34225 1 . ASN 56 56 34225 1 . VAL 57 57 34225 1 . ASP 58 58 34225 1 . GLN 59 59 34225 1 . ASP 60 60 34225 1 . LEU 61 61 34225 1 . VAL 62 62 34225 1 . GLY 63 63 34225 1 . TRP 64 64 34225 1 . GLN 65 65 34225 1 . ALA 66 66 34225 1 . PRO 67 67 34225 1 . PRO 68 68 34225 1 . GLY 69 69 34225 1 . ALA 70 70 34225 1 . ARG 71 71 34225 1 . SER 72 72 34225 1 . LEU 73 73 34225 1 . THR 74 74 34225 1 . PRO 75 75 34225 1 . CYS 76 76 34225 1 . THR 77 77 34225 1 . CYS 78 78 34225 1 . GLY 79 79 34225 1 . SER 80 80 34225 1 . SER 81 81 34225 1 . ASP 82 82 34225 1 . LEU 83 83 34225 1 . TYR 84 84 34225 1 . LEU 85 85 34225 1 . VAL 86 86 34225 1 . THR 87 87 34225 1 . ARG 88 88 34225 1 . HIS 89 89 34225 1 . ALA 90 90 34225 1 . ASP 91 91 34225 1 . VAL 92 92 34225 1 . ILE 93 93 34225 1 . PRO 94 94 34225 1 . VAL 95 95 34225 1 . ARG 96 96 34225 1 . ARG 97 97 34225 1 . ARG 98 98 34225 1 . GLY 99 99 34225 1 . ASP 100 100 34225 1 . SER 101 101 34225 1 . ARG 102 102 34225 1 . GLY 103 103 34225 1 . SER 104 104 34225 1 . LEU 105 105 34225 1 . LEU 106 106 34225 1 . SER 107 107 34225 1 . PRO 108 108 34225 1 . ARG 109 109 34225 1 . PRO 110 110 34225 1 . VAL 111 111 34225 1 . SER 112 112 34225 1 . TYR 113 113 34225 1 . LEU 114 114 34225 1 . LYS 115 115 34225 1 . GLY 116 116 34225 1 . SER 117 117 34225 1 . SER 118 118 34225 1 . GLY 119 119 34225 1 . GLY 120 120 34225 1 . PRO 121 121 34225 1 . LEU 122 122 34225 1 . LEU 123 123 34225 1 . CYS 124 124 34225 1 . PRO 125 125 34225 1 . SER 126 126 34225 1 . GLY 127 127 34225 1 . HIS 128 128 34225 1 . ALA 129 129 34225 1 . VAL 130 130 34225 1 . GLY 131 131 34225 1 . ILE 132 132 34225 1 . PHE 133 133 34225 1 . ARG 134 134 34225 1 . ALA 135 135 34225 1 . ALA 136 136 34225 1 . VAL 137 137 34225 1 . CYS 138 138 34225 1 . THR 139 139 34225 1 . ARG 140 140 34225 1 . GLY 141 141 34225 1 . VAL 142 142 34225 1 . ALA 143 143 34225 1 . LYS 144 144 34225 1 . ALA 145 145 34225 1 . VAL 146 146 34225 1 . ASP 147 147 34225 1 . PHE 148 148 34225 1 . VAL 149 149 34225 1 . PRO 150 150 34225 1 . VAL 151 151 34225 1 . GLU 152 152 34225 1 . SER 153 153 34225 1 . MET 154 154 34225 1 . GLU 155 155 34225 1 . THR 156 156 34225 1 . THR 157 157 34225 1 . MET 158 158 34225 1 . ARG 159 159 34225 1 . ALA 160 160 34225 1 . SER 161 161 34225 1 . LYS 162 162 34225 1 . LYS 163 163 34225 1 . LYS 164 164 34225 1 . LYS 165 165 34225 1 stop_ save_ save_entity_4P2 _Entity.Sf_category entity _Entity.Sf_framecode entity_4P2 _Entity.Entry_ID 34225 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_4P2 _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 ; XXXXX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 775.953 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; It is "compound chem comps" with five "non-standard residues"; 'C41 H53 N5 O8 S'. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 2KX . 34225 2 2 . 2KY . 34225 2 3 . HYP . 34225 2 4 . 0Y9 . 34225 2 5 . 0YA . 34225 2 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 . 2KX 1 1 34225 2 . 2KY 2 2 34225 2 . HYP 3 3 34225 2 . 0Y9 4 4 34225 2 . 0YA 5 5 34225 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34225 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34225 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34225 3 ZN 'Three letter code' 34225 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34225 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34225 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 31647 organism . 'Hepatitis C virus subtype 1b' 'Hepacivirus C' . . Viruses . Hepacivirus 'Hepacivirus C' . . . . . . . . . . . . . 34225 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 34225 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34225 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34225 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34225 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34225 ZN [Zn++] SMILES CACTVS 3.341 34225 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34225 ZN [Zn+2] SMILES ACDLabs 10.04 34225 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34225 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34225 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34225 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34225 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34225 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34225 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 15N] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV NS3 protease' '[U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34225 1 2 P2P4M NA . . . . . . 500 . . uM . . . . 34225 1 3 'sodium chloride' NA . . . . . . 100 . . mM . . . . 34225 1 4 'n-octyl beta-D-glucopyranoside' deuterated . . . . . . 0.3 . . % . . . . 34225 1 5 DTT NA . . . . . . 1 . . mM . . . . 34225 1 6 'sodium azide' NA . . . . . . 0.01 . . % . . . . 34225 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34225 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 15N] [U-99% 13C] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV NS3 protease' '[U-99% 15N] [U-99% 13C]' . . 1 $entity_1 . . 500 . . uM . . . . 34225 2 2 P2P4M NA . . . . . . 500 . . uM . . . . 34225 2 3 'sodium chloride' NA . . . . . . 100 . . mM . . . . 34225 2 4 'n-octyl beta-D-glucopyranoside' deuterated . . . . . . 0.3 . . % . . . . 34225 2 5 DTT NA . . . . . . 1 . . mM . . . . 34225 2 6 'sodium azide' NA . . . . . . 0.01 . . % . . . . 34225 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34225 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 15N] [U-99% 13C] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV NS3 protease' '[U-99% 15N] [U-99% 13C]' . . 1 $entity_1 . . 500 . . uM . . . . 34225 3 2 P2P4M NA . . . . . . 500 . . uM . . . . 34225 3 3 'sodium chloride' NA . . . . . . 100 . . mM . . . . 34225 3 4 'n-octyl beta-D-glucopyranoside' deuterated . . . . . . 0.3 . . % . . . . 34225 3 5 DTT NA . . . . . . 1 . . mM . . . . 34225 3 6 'sodium azide' NA . . . . . . 0.01 . . % . . . . 34225 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34225 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.2 mM 34225 1 pH 6.8 0.1 pH 34225 1 pressure 1 0.01 atm 34225 1 temperature 308 0.2 K 34225 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34225 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34225 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34225 1 'peak picking' 34225 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34225 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34225 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34225 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34225 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34225 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34225 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34225 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34225 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34225 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34225 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34225 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34225 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34225 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 34225 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 34225 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 8 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 14 'F1-edited, F3-filtered 3D HMQC-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 15 'double-filtered [F1-C/N,F2-C/N]-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34225 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34225 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 34225 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 34225 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 34225 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34225 1 2 '2D 1H-15N HSQC' . . . 34225 1 3 '2D 1H-13C HSQC aliphatic' . . . 34225 1 4 '3D HNCO' . . . 34225 1 5 '3D HNCA' . . . 34225 1 6 '3D HN(CO)CA' . . . 34225 1 7 '2D 1H-13C HSQC aromatic' . . . 34225 1 8 '3D CBCANH' . . . 34225 1 9 '3D CBCA(CO)NH' . . . 34225 1 10 '3D 1H-15N NOESY' . . . 34225 1 11 '3D 1H-13C NOESY aliphatic' . . . 34225 1 12 '3D 1H-15N TOCSY' . . . 34225 1 13 '3D 1H-13C NOESY aromatic' . . . 34225 1 14 'F1-edited, F3-filtered 3D HMQC-NOESY' . . . 34225 1 15 'double-filtered [F1-C/N,F2-C/N]-NOESY' . . . 34225 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.0950 0.0000 . 1 . . . . A 23 GLY H . 34225 1 2 . 1 1 2 2 GLY HA2 H 1 4.1100 0.0000 . 2 . . . . A 23 GLY HA2 . 34225 1 3 . 1 1 2 2 GLY HA3 H 1 4.1100 0.0000 . 2 . . . . A 23 GLY HA3 . 34225 1 4 . 1 1 2 2 GLY CA C 13 46.2700 0.0000 . 1 . . . . A 23 GLY CA . 34225 1 5 . 1 1 2 2 GLY N N 15 110.8910 0.0000 . 1 . . . . A 23 GLY N . 34225 1 6 . 1 1 3 3 ARG H H 1 8.2060 0.0000 . 1 . . . . A 24 ARG H . 34225 1 7 . 1 1 3 3 ARG C C 13 176.4000 0.0000 . 1 . . . . A 24 ARG C . 34225 1 8 . 1 1 3 3 ARG N N 15 120.3540 0.0000 . 1 . . . . A 24 ARG N . 34225 1 9 . 1 1 4 4 ASP H H 1 8.3690 0.0000 . 1 . . . . A 25 ASP H . 34225 1 10 . 1 1 4 4 ASP HA H 1 4.9350 0.0000 . 1 . . . . A 25 ASP HA . 34225 1 11 . 1 1 4 4 ASP C C 13 176.8000 0.0000 . 1 . . . . A 25 ASP C . 34225 1 12 . 1 1 4 4 ASP N N 15 120.4530 0.0000 . 1 . . . . A 25 ASP N . 34225 1 13 . 1 1 5 5 LYS H H 1 8.4680 0.0000 . 1 . . . . A 26 LYS H . 34225 1 14 . 1 1 5 5 LYS HA H 1 4.2070 0.0000 . 1 . . . . A 26 LYS HA . 34225 1 15 . 1 1 5 5 LYS C C 13 176.9000 0.0000 . 1 . . . . A 26 LYS C . 34225 1 16 . 1 1 5 5 LYS CA C 13 57.3400 0.0000 . 1 . . . . A 26 LYS CA . 34225 1 17 . 1 1 5 5 LYS N N 15 122.2460 0.0000 . 1 . . . . A 26 LYS N . 34225 1 18 . 1 1 6 6 ASN H H 1 8.5110 0.0000 . 1 . . . . A 27 ASN H . 34225 1 19 . 1 1 6 6 ASN HA H 1 4.8000 0.0000 . 1 . . . . A 27 ASN HA . 34225 1 20 . 1 1 6 6 ASN HB2 H 1 2.9170 0.0000 . 2 . . . . A 27 ASN HB2 . 34225 1 21 . 1 1 6 6 ASN HB3 H 1 2.9170 0.0000 . 2 . . . . A 27 ASN HB3 . 34225 1 22 . 1 1 6 6 ASN C C 13 175.4000 0.0000 . 1 . . . . A 27 ASN C . 34225 1 23 . 1 1 6 6 ASN CA C 13 53.9300 0.0000 . 1 . . . . A 27 ASN CA . 34225 1 24 . 1 1 6 6 ASN N N 15 118.0650 0.0000 . 1 . . . . A 27 ASN N . 34225 1 25 . 1 1 7 7 GLN H H 1 8.2000 0.0000 . 1 . . . . A 28 GLN H . 34225 1 26 . 1 1 7 7 GLN HA H 1 4.2990 0.0000 . 1 . . . . A 28 GLN HA . 34225 1 27 . 1 1 7 7 GLN C C 13 176.2000 0.0000 . 1 . . . . A 28 GLN C . 34225 1 28 . 1 1 7 7 GLN CA C 13 56.7500 0.0000 . 1 . . . . A 28 GLN CA . 34225 1 29 . 1 1 7 7 GLN N N 15 119.9130 0.0000 . 1 . . . . A 28 GLN N . 34225 1 30 . 1 1 8 8 VAL H H 1 8.0350 0.0000 . 1 . . . . A 29 VAL H . 34225 1 31 . 1 1 8 8 VAL HA H 1 4.2500 0.0000 . 1 . . . . A 29 VAL HA . 34225 1 32 . 1 1 8 8 VAL C C 13 175.6000 0.0000 . 1 . . . . A 29 VAL C . 34225 1 33 . 1 1 8 8 VAL CA C 13 62.4300 0.0000 . 1 . . . . A 29 VAL CA . 34225 1 34 . 1 1 8 8 VAL N N 15 119.5930 0.0000 . 1 . . . . A 29 VAL N . 34225 1 35 . 1 1 9 9 GLU H H 1 8.4130 0.0000 . 1 . . . . A 30 GLU H . 34225 1 36 . 1 1 9 9 GLU HA H 1 4.2370 0.0000 . 1 . . . . A 30 GLU HA . 34225 1 37 . 1 1 9 9 GLU HB2 H 1 2.1300 0.0000 . 2 . . . . A 30 GLU HB2 . 34225 1 38 . 1 1 9 9 GLU HB3 H 1 2.1300 0.0000 . 2 . . . . A 30 GLU HB3 . 34225 1 39 . 1 1 9 9 GLU C C 13 176.4000 0.0000 . 1 . . . . A 30 GLU C . 34225 1 40 . 1 1 9 9 GLU N N 15 123.9350 0.0000 . 1 . . . . A 30 GLU N . 34225 1 41 . 1 1 10 10 GLY H H 1 8.2360 0.0000 . 1 . . . . A 31 GLY H . 34225 1 42 . 1 1 10 10 GLY HA2 H 1 4.1590 0.0000 . 2 . . . . A 31 GLY HA2 . 34225 1 43 . 1 1 10 10 GLY HA3 H 1 4.1590 0.0000 . 2 . . . . A 31 GLY HA3 . 34225 1 44 . 1 1 10 10 GLY CA C 13 45.5000 0.0000 . 1 . . . . A 31 GLY CA . 34225 1 45 . 1 1 10 10 GLY N N 15 108.8000 0.0000 . 1 . . . . A 31 GLY N . 34225 1 46 . 1 1 11 11 GLU H H 1 10.6080 0.0000 . 1 . . . . A 32 GLU H . 34225 1 47 . 1 1 11 11 GLU HB2 H 1 2.1460 0.0000 . 2 . . . . A 32 GLU HB2 . 34225 1 48 . 1 1 11 11 GLU HB3 H 1 2.1460 0.0000 . 2 . . . . A 32 GLU HB3 . 34225 1 49 . 1 1 11 11 GLU C C 13 175.8000 0.0000 . 1 . . . . A 32 GLU C . 34225 1 50 . 1 1 11 11 GLU N N 15 121.6930 0.0000 . 1 . . . . A 32 GLU N . 34225 1 51 . 1 1 12 12 VAL H H 1 8.1220 0.0000 . 1 . . . . A 33 VAL H . 34225 1 52 . 1 1 12 12 VAL HA H 1 5.2400 0.0000 . 1 . . . . A 33 VAL HA . 34225 1 53 . 1 1 12 12 VAL HB H 1 2.2490 0.0000 . 1 . . . . A 33 VAL HB . 34225 1 54 . 1 1 12 12 VAL HG11 H 1 1.1220 0.0000 . 2 . . . . A 33 VAL HG11 . 34225 1 55 . 1 1 12 12 VAL HG12 H 1 1.1220 0.0000 . 2 . . . . A 33 VAL HG12 . 34225 1 56 . 1 1 12 12 VAL HG13 H 1 1.1220 0.0000 . 2 . . . . A 33 VAL HG13 . 34225 1 57 . 1 1 12 12 VAL HG21 H 1 1.0700 0.0000 . 2 . . . . A 33 VAL HG21 . 34225 1 58 . 1 1 12 12 VAL HG22 H 1 1.0700 0.0000 . 2 . . . . A 33 VAL HG22 . 34225 1 59 . 1 1 12 12 VAL HG23 H 1 1.0700 0.0000 . 2 . . . . A 33 VAL HG23 . 34225 1 60 . 1 1 12 12 VAL C C 13 174.8000 0.0000 . 1 . . . . A 33 VAL C . 34225 1 61 . 1 1 12 12 VAL CA C 13 60.6200 0.0000 . 1 . . . . A 33 VAL CA . 34225 1 62 . 1 1 12 12 VAL CG1 C 13 23.0000 0.0000 . 1 . . . . A 33 VAL CG1 . 34225 1 63 . 1 1 12 12 VAL CG2 C 13 22.6500 0.0000 . 1 . . . . A 33 VAL CG2 . 34225 1 64 . 1 1 12 12 VAL N N 15 115.3510 0.0000 . 1 . . . . A 33 VAL N . 34225 1 65 . 1 1 13 13 GLN H H 1 9.1390 0.0000 . 1 . . . . A 34 GLN H . 34225 1 66 . 1 1 13 13 GLN HA H 1 4.9690 0.0000 . 1 . . . . A 34 GLN HA . 34225 1 67 . 1 1 13 13 GLN HB2 H 1 1.9800 0.0000 . 2 . . . . A 34 GLN HB2 . 34225 1 68 . 1 1 13 13 GLN HB3 H 1 1.9800 0.0000 . 2 . . . . A 34 GLN HB3 . 34225 1 69 . 1 1 13 13 GLN C C 13 173.9000 0.0000 . 1 . . . . A 34 GLN C . 34225 1 70 . 1 1 13 13 GLN CA C 13 53.8210 0.0000 . 1 . . . . A 34 GLN CA . 34225 1 71 . 1 1 13 13 GLN N N 15 124.1740 0.0000 . 1 . . . . A 34 GLN N . 34225 1 72 . 1 1 14 14 VAL H H 1 8.5610 0.0000 . 1 . . . . A 35 VAL H . 34225 1 73 . 1 1 14 14 VAL HA H 1 4.5950 0.0000 . 1 . . . . A 35 VAL HA . 34225 1 74 . 1 1 14 14 VAL HB H 1 1.9900 0.0000 . 1 . . . . A 35 VAL HB . 34225 1 75 . 1 1 14 14 VAL HG11 H 1 1.0060 0.0000 . 2 . . . . A 35 VAL HG11 . 34225 1 76 . 1 1 14 14 VAL HG12 H 1 1.0060 0.0000 . 2 . . . . A 35 VAL HG12 . 34225 1 77 . 1 1 14 14 VAL HG13 H 1 1.0060 0.0000 . 2 . . . . A 35 VAL HG13 . 34225 1 78 . 1 1 14 14 VAL HG21 H 1 0.9150 0.0000 . 2 . . . . A 35 VAL HG21 . 34225 1 79 . 1 1 14 14 VAL HG22 H 1 0.9150 0.0000 . 2 . . . . A 35 VAL HG22 . 34225 1 80 . 1 1 14 14 VAL HG23 H 1 0.9150 0.0000 . 2 . . . . A 35 VAL HG23 . 34225 1 81 . 1 1 14 14 VAL C C 13 176.1000 0.0000 . 1 . . . . A 35 VAL C . 34225 1 82 . 1 1 14 14 VAL CA C 13 63.4000 0.0000 . 1 . . . . A 35 VAL CA . 34225 1 83 . 1 1 14 14 VAL CB C 13 32.7000 0.0000 . 1 . . . . A 35 VAL CB . 34225 1 84 . 1 1 14 14 VAL CG1 C 13 21.7000 0.0000 . 1 . . . . A 35 VAL CG1 . 34225 1 85 . 1 1 14 14 VAL N N 15 122.1850 0.0000 . 1 . . . . A 35 VAL N . 34225 1 86 . 1 1 15 15 VAL H H 1 8.9990 0.0000 . 1 . . . . A 36 VAL H . 34225 1 87 . 1 1 15 15 VAL HA H 1 4.9410 0.0000 . 1 . . . . A 36 VAL HA . 34225 1 88 . 1 1 15 15 VAL HB H 1 1.7160 0.0000 . 1 . . . . A 36 VAL HB . 34225 1 89 . 1 1 15 15 VAL HG11 H 1 0.8500 0.0000 . 2 . . . . A 36 VAL HG11 . 34225 1 90 . 1 1 15 15 VAL HG12 H 1 0.8500 0.0000 . 2 . . . . A 36 VAL HG12 . 34225 1 91 . 1 1 15 15 VAL HG13 H 1 0.8500 0.0000 . 2 . . . . A 36 VAL HG13 . 34225 1 92 . 1 1 15 15 VAL HG21 H 1 0.1990 0.0000 . 2 . . . . A 36 VAL HG21 . 34225 1 93 . 1 1 15 15 VAL HG22 H 1 0.1990 0.0000 . 2 . . . . A 36 VAL HG22 . 34225 1 94 . 1 1 15 15 VAL HG23 H 1 0.1990 0.0000 . 2 . . . . A 36 VAL HG23 . 34225 1 95 . 1 1 15 15 VAL C C 13 174.0000 0.0000 . 1 . . . . A 36 VAL C . 34225 1 96 . 1 1 15 15 VAL CA C 13 59.5000 0.0000 . 1 . . . . A 36 VAL CA . 34225 1 97 . 1 1 15 15 VAL CG1 C 13 22.6560 0.0000 . 1 . . . . A 36 VAL CG1 . 34225 1 98 . 1 1 15 15 VAL CG2 C 13 19.8000 0.0000 . 1 . . . . A 36 VAL CG2 . 34225 1 99 . 1 1 15 15 VAL N N 15 122.4380 0.0000 . 1 . . . . A 36 VAL N . 34225 1 100 . 1 1 16 16 SER H H 1 8.8480 0.0000 . 1 . . . . A 37 SER H . 34225 1 101 . 1 1 16 16 SER HA H 1 5.2790 0.0000 . 1 . . . . A 37 SER HA . 34225 1 102 . 1 1 16 16 SER HB2 H 1 3.8800 0.0000 . 2 . . . . A 37 SER HB2 . 34225 1 103 . 1 1 16 16 SER HB3 H 1 3.8800 0.0000 . 2 . . . . A 37 SER HB3 . 34225 1 104 . 1 1 16 16 SER C C 13 174.6000 0.0000 . 1 . . . . A 37 SER C . 34225 1 105 . 1 1 16 16 SER CA C 13 57.5450 0.0000 . 1 . . . . A 37 SER CA . 34225 1 106 . 1 1 16 16 SER CB C 13 67.1600 0.0000 . 1 . . . . A 37 SER CB . 34225 1 107 . 1 1 16 16 SER N N 15 112.3140 0.0000 . 1 . . . . A 37 SER N . 34225 1 108 . 1 1 17 17 THR H H 1 8.9240 0.0000 . 1 . . . . A 38 THR H . 34225 1 109 . 1 1 17 17 THR HA H 1 4.9800 0.0000 . 1 . . . . A 38 THR HA . 34225 1 110 . 1 1 17 17 THR HB H 1 4.8800 0.0000 . 1 . . . . A 38 THR HB . 34225 1 111 . 1 1 17 17 THR HG21 H 1 1.4400 0.0000 . 1 . . . . A 38 THR HG21 . 34225 1 112 . 1 1 17 17 THR HG22 H 1 1.4400 0.0000 . 1 . . . . A 38 THR HG22 . 34225 1 113 . 1 1 17 17 THR HG23 H 1 1.4400 0.0000 . 1 . . . . A 38 THR HG23 . 34225 1 114 . 1 1 17 17 THR CA C 13 59.9700 0.0000 . 1 . . . . A 38 THR CA . 34225 1 115 . 1 1 17 17 THR CB C 13 71.3000 0.0000 . 1 . . . . A 38 THR CB . 34225 1 116 . 1 1 17 17 THR CG2 C 13 22.8000 0.0000 . 1 . . . . A 38 THR CG2 . 34225 1 117 . 1 1 17 17 THR N N 15 114.1810 0.0000 . 1 . . . . A 38 THR N . 34225 1 118 . 1 1 18 18 ALA HA H 1 4.2870 0.0000 . 1 . . . . A 39 ALA HA . 34225 1 119 . 1 1 18 18 ALA HB1 H 1 1.6700 0.0000 . 1 . . . . A 39 ALA HB1 . 34225 1 120 . 1 1 18 18 ALA HB2 H 1 1.6700 0.0000 . 1 . . . . A 39 ALA HB2 . 34225 1 121 . 1 1 18 18 ALA HB3 H 1 1.6700 0.0000 . 1 . . . . A 39 ALA HB3 . 34225 1 122 . 1 1 18 18 ALA C C 13 179.3000 0.0000 . 1 . . . . A 39 ALA C . 34225 1 123 . 1 1 18 18 ALA CA C 13 55.3800 0.0000 . 1 . . . . A 39 ALA CA . 34225 1 124 . 1 1 18 18 ALA CB C 13 19.4000 0.0000 . 1 . . . . A 39 ALA CB . 34225 1 125 . 1 1 19 19 THR H H 1 7.8730 0.0000 . 1 . . . . A 40 THR H . 34225 1 126 . 1 1 19 19 THR HA H 1 4.6870 0.0000 . 1 . . . . A 40 THR HA . 34225 1 127 . 1 1 19 19 THR HB H 1 4.4500 0.0000 . 1 . . . . A 40 THR HB . 34225 1 128 . 1 1 19 19 THR HG21 H 1 1.2690 0.0000 . 1 . . . . A 40 THR HG21 . 34225 1 129 . 1 1 19 19 THR HG22 H 1 1.2690 0.0000 . 1 . . . . A 40 THR HG22 . 34225 1 130 . 1 1 19 19 THR HG23 H 1 1.2690 0.0000 . 1 . . . . A 40 THR HG23 . 34225 1 131 . 1 1 19 19 THR C C 13 175.2000 0.0000 . 1 . . . . A 40 THR C . 34225 1 132 . 1 1 19 19 THR CA C 13 61.7000 0.0000 . 1 . . . . A 40 THR CA . 34225 1 133 . 1 1 19 19 THR CB C 13 71.2500 0.0000 . 1 . . . . A 40 THR CB . 34225 1 134 . 1 1 19 19 THR CG2 C 13 22.5000 0.0000 . 1 . . . . A 40 THR CG2 . 34225 1 135 . 1 1 19 19 THR N N 15 102.1570 0.0000 . 1 . . . . A 40 THR N . 34225 1 136 . 1 1 20 20 GLN H H 1 7.7210 0.0000 . 1 . . . . A 41 GLN H . 34225 1 137 . 1 1 20 20 GLN HA H 1 5.0830 0.0000 . 1 . . . . A 41 GLN HA . 34225 1 138 . 1 1 20 20 GLN HB2 H 1 2.3700 0.0000 . 2 . . . . A 41 GLN HB2 . 34225 1 139 . 1 1 20 20 GLN HB3 H 1 2.2400 0.0000 . 2 . . . . A 41 GLN HB3 . 34225 1 140 . 1 1 20 20 GLN HG2 H 1 2.5400 0.0000 . 2 . . . . A 41 GLN HG2 . 34225 1 141 . 1 1 20 20 GLN HG3 H 1 2.5400 0.0000 . 2 . . . . A 41 GLN HG3 . 34225 1 142 . 1 1 20 20 GLN C C 13 173.9800 0.0000 . 1 . . . . A 41 GLN C . 34225 1 143 . 1 1 20 20 GLN CA C 13 55.4800 0.0000 . 1 . . . . A 41 GLN CA . 34225 1 144 . 1 1 20 20 GLN CB C 13 34.3000 0.0000 . 1 . . . . A 41 GLN CB . 34225 1 145 . 1 1 20 20 GLN CG C 13 34.5000 0.0000 . 1 . . . . A 41 GLN CG . 34225 1 146 . 1 1 20 20 GLN N N 15 120.1050 0.0000 . 1 . . . . A 41 GLN N . 34225 1 147 . 1 1 21 21 SER H H 1 8.2430 0.0000 . 1 . . . . A 42 SER H . 34225 1 148 . 1 1 21 21 SER HA H 1 5.2900 0.0000 . 1 . . . . A 42 SER HA . 34225 1 149 . 1 1 21 21 SER HB2 H 1 3.8100 0.0000 . 2 . . . . A 42 SER HB2 . 34225 1 150 . 1 1 21 21 SER HB3 H 1 3.8800 0.0000 . 2 . . . . A 42 SER HB3 . 34225 1 151 . 1 1 21 21 SER CA C 13 57.6000 0.0000 . 1 . . . . A 42 SER CA . 34225 1 152 . 1 1 21 21 SER CB C 13 65.8000 0.0000 . 1 . . . . A 42 SER CB . 34225 1 153 . 1 1 21 21 SER N N 15 113.9920 0.0000 . 1 . . . . A 42 SER N . 34225 1 154 . 1 1 22 22 PHE H H 1 8.6250 0.0000 . 1 . . . . A 43 PHE H . 34225 1 155 . 1 1 22 22 PHE HA H 1 5.4910 0.0000 . 1 . . . . A 43 PHE HA . 34225 1 156 . 1 1 22 22 PHE HB2 H 1 3.8170 0.0000 . 2 . . . . A 43 PHE HB2 . 34225 1 157 . 1 1 22 22 PHE HB3 H 1 3.8170 0.0000 . 2 . . . . A 43 PHE HB3 . 34225 1 158 . 1 1 22 22 PHE HD1 H 1 7.1200 0.0000 . 3 . . . . A 43 PHE HD1 . 34225 1 159 . 1 1 22 22 PHE HD2 H 1 7.1200 0.0000 . 3 . . . . A 43 PHE HD2 . 34225 1 160 . 1 1 22 22 PHE HE1 H 1 7.1600 0.0000 . 3 . . . . A 43 PHE HE1 . 34225 1 161 . 1 1 22 22 PHE HE2 H 1 7.1600 0.0000 . 3 . . . . A 43 PHE HE2 . 34225 1 162 . 1 1 22 22 PHE HZ H 1 6.5820 0.0000 . 1 . . . . A 43 PHE HZ . 34225 1 163 . 1 1 22 22 PHE C C 13 172.6000 0.0000 . 1 . . . . A 43 PHE C . 34225 1 164 . 1 1 22 22 PHE CA C 13 56.7000 0.0000 . 1 . . . . A 43 PHE CA . 34225 1 165 . 1 1 22 22 PHE N N 15 123.3000 0.0000 . 1 . . . . A 43 PHE N . 34225 1 166 . 1 1 23 23 LEU HA H 1 5.7680 0.0000 . 1 . . . . A 44 LEU HA . 34225 1 167 . 1 1 23 23 LEU HB2 H 1 1.2870 0.0000 . 2 . . . . A 44 LEU HB2 . 34225 1 168 . 1 1 23 23 LEU HB3 H 1 1.9800 0.0000 . 2 . . . . A 44 LEU HB3 . 34225 1 169 . 1 1 23 23 LEU HG H 1 0.9400 0.0000 . 1 . . . . A 44 LEU HG . 34225 1 170 . 1 1 23 23 LEU HD11 H 1 0.9010 0.0000 . 2 . . . . A 44 LEU HD11 . 34225 1 171 . 1 1 23 23 LEU HD12 H 1 0.9010 0.0000 . 2 . . . . A 44 LEU HD12 . 34225 1 172 . 1 1 23 23 LEU HD13 H 1 0.9010 0.0000 . 2 . . . . A 44 LEU HD13 . 34225 1 173 . 1 1 23 23 LEU HD21 H 1 0.9060 0.0000 . 2 . . . . A 44 LEU HD21 . 34225 1 174 . 1 1 23 23 LEU HD22 H 1 0.9060 0.0000 . 2 . . . . A 44 LEU HD22 . 34225 1 175 . 1 1 23 23 LEU HD23 H 1 0.9060 0.0000 . 2 . . . . A 44 LEU HD23 . 34225 1 176 . 1 1 23 23 LEU C C 13 175.8000 0.0000 . 1 . . . . A 44 LEU C . 34225 1 177 . 1 1 23 23 LEU CA C 13 54.1000 0.0000 . 1 . . . . A 44 LEU CA . 34225 1 178 . 1 1 23 23 LEU CG C 13 24.5000 0.0000 . 1 . . . . A 44 LEU CG . 34225 1 179 . 1 1 23 23 LEU CD1 C 13 25.4000 0.0000 . 1 . . . . A 44 LEU CD1 . 34225 1 180 . 1 1 23 23 LEU CD2 C 13 24.6000 0.0000 . 1 . . . . A 44 LEU CD2 . 34225 1 181 . 1 1 24 24 ALA H H 1 9.0380 0.0000 . 1 . . . . A 45 ALA H . 34225 1 182 . 1 1 24 24 ALA HA H 1 5.4610 0.0000 . 1 . . . . A 45 ALA HA . 34225 1 183 . 1 1 24 24 ALA HB1 H 1 1.3210 0.0000 . 1 . . . . A 45 ALA HB1 . 34225 1 184 . 1 1 24 24 ALA HB2 H 1 1.3210 0.0000 . 1 . . . . A 45 ALA HB2 . 34225 1 185 . 1 1 24 24 ALA HB3 H 1 1.3210 0.0000 . 1 . . . . A 45 ALA HB3 . 34225 1 186 . 1 1 24 24 ALA CA C 13 51.3600 0.0000 . 1 . . . . A 45 ALA CA . 34225 1 187 . 1 1 24 24 ALA CB C 13 23.8000 0.0000 . 1 . . . . A 45 ALA CB . 34225 1 188 . 1 1 24 24 ALA N N 15 121.2800 0.0000 . 1 . . . . A 45 ALA N . 34225 1 189 . 1 1 25 25 THR H H 1 9.1700 0.0000 . 1 . . . . A 46 THR H . 34225 1 190 . 1 1 25 25 THR HA H 1 5.2310 0.0000 . 1 . . . . A 46 THR HA . 34225 1 191 . 1 1 25 25 THR HB H 1 3.8600 0.0000 . 1 . . . . A 46 THR HB . 34225 1 192 . 1 1 25 25 THR HG21 H 1 1.1120 0.0000 . 1 . . . . A 46 THR HG21 . 34225 1 193 . 1 1 25 25 THR HG22 H 1 1.1120 0.0000 . 1 . . . . A 46 THR HG22 . 34225 1 194 . 1 1 25 25 THR HG23 H 1 1.1120 0.0000 . 1 . . . . A 46 THR HG23 . 34225 1 195 . 1 1 25 25 THR CA C 13 63.0000 0.0000 . 1 . . . . A 46 THR CA . 34225 1 196 . 1 1 25 25 THR CB C 13 72.0000 0.0000 . 1 . . . . A 46 THR CB . 34225 1 197 . 1 1 25 25 THR CG2 C 13 23.1600 0.0000 . 1 . . . . A 46 THR CG2 . 34225 1 198 . 1 1 25 25 THR N N 15 119.4440 0.0000 . 1 . . . . A 46 THR N . 34225 1 199 . 1 1 26 26 CYS H H 1 9.5080 0.0000 . 1 . . . . A 47 CYS H . 34225 1 200 . 1 1 26 26 CYS HA H 1 5.2700 0.0000 . 1 . . . . A 47 CYS HA . 34225 1 201 . 1 1 26 26 CYS HB2 H 1 3.2400 0.0000 . 2 . . . . A 47 CYS HB2 . 34225 1 202 . 1 1 26 26 CYS HB3 H 1 3.4300 0.0000 . 2 . . . . A 47 CYS HB3 . 34225 1 203 . 1 1 26 26 CYS CA C 13 57.2600 0.0000 . 1 . . . . A 47 CYS CA . 34225 1 204 . 1 1 26 26 CYS N N 15 129.4820 0.0000 . 1 . . . . A 47 CYS N . 34225 1 205 . 1 1 27 27 VAL HA H 1 4.7500 0.0000 . 1 . . . . A 48 VAL HA . 34225 1 206 . 1 1 27 27 VAL HB H 1 2.3300 0.0000 . 1 . . . . A 48 VAL HB . 34225 1 207 . 1 1 27 27 VAL HG11 H 1 0.8840 0.0000 . 2 . . . . A 48 VAL HG11 . 34225 1 208 . 1 1 27 27 VAL HG12 H 1 0.8840 0.0000 . 2 . . . . A 48 VAL HG12 . 34225 1 209 . 1 1 27 27 VAL HG13 H 1 0.8840 0.0000 . 2 . . . . A 48 VAL HG13 . 34225 1 210 . 1 1 27 27 VAL HG21 H 1 0.8700 0.0000 . 2 . . . . A 48 VAL HG21 . 34225 1 211 . 1 1 27 27 VAL HG22 H 1 0.8700 0.0000 . 2 . . . . A 48 VAL HG22 . 34225 1 212 . 1 1 27 27 VAL HG23 H 1 0.8700 0.0000 . 2 . . . . A 48 VAL HG23 . 34225 1 213 . 1 1 27 27 VAL CA C 13 61.2000 0.0000 . 1 . . . . A 48 VAL CA . 34225 1 214 . 1 1 27 27 VAL CB C 13 34.3000 0.0000 . 1 . . . . A 48 VAL CB . 34225 1 215 . 1 1 27 27 VAL CG1 C 13 21.2800 0.0000 . 1 . . . . A 48 VAL CG1 . 34225 1 216 . 1 1 27 27 VAL CG2 C 13 21.2800 0.0000 . 1 . . . . A 48 VAL CG2 . 34225 1 217 . 1 1 28 28 ASN H H 1 9.2480 0.0000 . 1 . . . . A 49 ASN H . 34225 1 218 . 1 1 28 28 ASN HA H 1 4.6640 0.0000 . 1 . . . . A 49 ASN HA . 34225 1 219 . 1 1 28 28 ASN HB2 H 1 2.6200 0.0000 . 2 . . . . A 49 ASN HB2 . 34225 1 220 . 1 1 28 28 ASN HB3 H 1 3.5200 0.0000 . 2 . . . . A 49 ASN HB3 . 34225 1 221 . 1 1 28 28 ASN C C 13 175.2000 0.0000 . 1 . . . . A 49 ASN C . 34225 1 222 . 1 1 28 28 ASN CA C 13 54.2900 0.0000 . 1 . . . . A 49 ASN CA . 34225 1 223 . 1 1 28 28 ASN CB C 13 38.2700 0.0000 . 1 . . . . A 49 ASN CB . 34225 1 224 . 1 1 28 28 ASN N N 15 128.2370 0.0000 . 1 . . . . A 49 ASN N . 34225 1 225 . 1 1 29 29 GLY H H 1 8.2730 0.0000 . 1 . . . . A 50 GLY H . 34225 1 226 . 1 1 29 29 GLY HA2 H 1 4.1600 0.0000 . 2 . . . . A 50 GLY HA2 . 34225 1 227 . 1 1 29 29 GLY HA3 H 1 3.5100 0.0000 . 2 . . . . A 50 GLY HA3 . 34225 1 228 . 1 1 29 29 GLY C C 13 172.9000 0.0000 . 1 . . . . A 50 GLY C . 34225 1 229 . 1 1 29 29 GLY CA C 13 46.6000 0.0000 . 1 . . . . A 50 GLY CA . 34225 1 230 . 1 1 29 29 GLY N N 15 102.2600 0.0000 . 1 . . . . A 50 GLY N . 34225 1 231 . 1 1 30 30 VAL H H 1 7.7550 0.0000 . 1 . . . . A 51 VAL H . 34225 1 232 . 1 1 30 30 VAL HA H 1 4.1150 0.0000 . 1 . . . . A 51 VAL HA . 34225 1 233 . 1 1 30 30 VAL HB H 1 1.9900 0.0000 . 1 . . . . A 51 VAL HB . 34225 1 234 . 1 1 30 30 VAL HG11 H 1 -0.2700 0.0000 . 2 . . . . A 51 VAL HG11 . 34225 1 235 . 1 1 30 30 VAL HG12 H 1 -0.2700 0.0000 . 2 . . . . A 51 VAL HG12 . 34225 1 236 . 1 1 30 30 VAL HG13 H 1 -0.2700 0.0000 . 2 . . . . A 51 VAL HG13 . 34225 1 237 . 1 1 30 30 VAL HG21 H 1 0.9460 0.0000 . 2 . . . . A 51 VAL HG21 . 34225 1 238 . 1 1 30 30 VAL HG22 H 1 0.9460 0.0000 . 2 . . . . A 51 VAL HG22 . 34225 1 239 . 1 1 30 30 VAL HG23 H 1 0.9460 0.0000 . 2 . . . . A 51 VAL HG23 . 34225 1 240 . 1 1 30 30 VAL C C 13 173.9000 0.0000 . 1 . . . . A 51 VAL C . 34225 1 241 . 1 1 30 30 VAL CA C 13 61.8000 0.0000 . 1 . . . . A 51 VAL CA . 34225 1 242 . 1 1 30 30 VAL CB C 13 35.4000 0.0000 . 1 . . . . A 51 VAL CB . 34225 1 243 . 1 1 30 30 VAL CG1 C 13 21.0000 0.0000 . 1 . . . . A 51 VAL CG1 . 34225 1 244 . 1 1 30 30 VAL CG2 C 13 22.6000 0.0000 . 1 . . . . A 51 VAL CG2 . 34225 1 245 . 1 1 30 30 VAL N N 15 123.4850 0.0000 . 1 . . . . A 51 VAL N . 34225 1 246 . 1 1 31 31 CYS H H 1 8.5420 0.0000 . 1 . . . . A 52 CYS H . 34225 1 247 . 1 1 31 31 CYS C C 13 171.9000 0.0000 . 1 . . . . A 52 CYS C . 34225 1 248 . 1 1 31 31 CYS N N 15 125.6000 0.0000 . 1 . . . . A 52 CYS N . 34225 1 249 . 1 1 32 32 TRP H H 1 8.6460 0.0000 . 1 . . . . A 53 TRP H . 34225 1 250 . 1 1 32 32 TRP HA H 1 5.4700 0.0000 . 1 . . . . A 53 TRP HA . 34225 1 251 . 1 1 32 32 TRP HB2 H 1 3.0000 0.0000 . 2 . . . . A 53 TRP HB2 . 34225 1 252 . 1 1 32 32 TRP HB3 H 1 3.3900 0.0000 . 2 . . . . A 53 TRP HB3 . 34225 1 253 . 1 1 32 32 TRP HE1 H 1 10.3330 0.0000 . 1 . . . . A 53 TRP HE1 . 34225 1 254 . 1 1 32 32 TRP C C 13 175.4000 0.0000 . 1 . . . . A 53 TRP C . 34225 1 255 . 1 1 32 32 TRP CA C 13 55.8000 0.0000 . 1 . . . . A 53 TRP CA . 34225 1 256 . 1 1 32 32 TRP CB C 13 34.7000 0.0000 . 1 . . . . A 53 TRP CB . 34225 1 257 . 1 1 32 32 TRP N N 15 120.6090 0.0000 . 1 . . . . A 53 TRP N . 34225 1 258 . 1 1 32 32 TRP NE1 N 15 130.2190 0.0000 . 1 . . . . A 53 TRP NE1 . 34225 1 259 . 1 1 33 33 THR H H 1 9.7310 0.0000 . 1 . . . . A 54 THR H . 34225 1 260 . 1 1 33 33 THR HA H 1 4.8750 0.0000 . 1 . . . . A 54 THR HA . 34225 1 261 . 1 1 33 33 THR HB H 1 4.4300 0.0000 . 1 . . . . A 54 THR HB . 34225 1 262 . 1 1 33 33 THR HG21 H 1 1.4600 0.0000 . 1 . . . . A 54 THR HG21 . 34225 1 263 . 1 1 33 33 THR HG22 H 1 1.4600 0.0000 . 1 . . . . A 54 THR HG22 . 34225 1 264 . 1 1 33 33 THR HG23 H 1 1.4600 0.0000 . 1 . . . . A 54 THR HG23 . 34225 1 265 . 1 1 33 33 THR C C 13 173.4000 0.0000 . 1 . . . . A 54 THR C . 34225 1 266 . 1 1 33 33 THR CA C 13 60.4000 0.0000 . 1 . . . . A 54 THR CA . 34225 1 267 . 1 1 33 33 THR CB C 13 69.9000 0.0000 . 1 . . . . A 54 THR CB . 34225 1 268 . 1 1 33 33 THR CG2 C 13 20.0330 0.0000 . 1 . . . . A 54 THR CG2 . 34225 1 269 . 1 1 33 33 THR N N 15 115.6940 0.0000 . 1 . . . . A 54 THR N . 34225 1 270 . 1 1 34 34 VAL H H 1 8.4750 0.0000 . 1 . . . . A 55 VAL H . 34225 1 271 . 1 1 34 34 VAL HA H 1 5.4400 0.0000 . 1 . . . . A 55 VAL HA . 34225 1 272 . 1 1 34 34 VAL HB H 1 1.7050 0.0000 . 1 . . . . A 55 VAL HB . 34225 1 273 . 1 1 34 34 VAL HG11 H 1 1.1600 0.0000 . 2 . . . . A 55 VAL HG11 . 34225 1 274 . 1 1 34 34 VAL HG12 H 1 1.1600 0.0000 . 2 . . . . A 55 VAL HG12 . 34225 1 275 . 1 1 34 34 VAL HG13 H 1 1.1600 0.0000 . 2 . . . . A 55 VAL HG13 . 34225 1 276 . 1 1 34 34 VAL HG21 H 1 0.1140 0.0000 . 2 . . . . A 55 VAL HG21 . 34225 1 277 . 1 1 34 34 VAL HG22 H 1 0.1140 0.0000 . 2 . . . . A 55 VAL HG22 . 34225 1 278 . 1 1 34 34 VAL HG23 H 1 0.1140 0.0000 . 2 . . . . A 55 VAL HG23 . 34225 1 279 . 1 1 34 34 VAL C C 13 178.0000 0.0000 . 1 . . . . A 55 VAL C . 34225 1 280 . 1 1 34 34 VAL CA C 13 57.9000 0.0000 . 1 . . . . A 55 VAL CA . 34225 1 281 . 1 1 34 34 VAL CB C 13 32.4000 0.0000 . 1 . . . . A 55 VAL CB . 34225 1 282 . 1 1 34 34 VAL CG1 C 13 22.6000 0.0000 . 1 . . . . A 55 VAL CG1 . 34225 1 283 . 1 1 34 34 VAL CG2 C 13 17.0400 0.0000 . 1 . . . . A 55 VAL CG2 . 34225 1 284 . 1 1 34 34 VAL N N 15 110.1620 0.0000 . 1 . . . . A 55 VAL N . 34225 1 285 . 1 1 35 35 TYR H H 1 7.2560 0.0000 . 1 . . . . A 56 TYR H . 34225 1 286 . 1 1 35 35 TYR HA H 1 3.8100 0.0000 . 1 . . . . A 56 TYR HA . 34225 1 287 . 1 1 35 35 TYR HB2 H 1 3.2800 0.0000 . 2 . . . . A 56 TYR HB2 . 34225 1 288 . 1 1 35 35 TYR HB3 H 1 2.8000 0.0000 . 2 . . . . A 56 TYR HB3 . 34225 1 289 . 1 1 35 35 TYR HD1 H 1 6.9800 0.0000 . 3 . . . . A 56 TYR HD1 . 34225 1 290 . 1 1 35 35 TYR HD2 H 1 6.9800 0.0000 . 3 . . . . A 56 TYR HD2 . 34225 1 291 . 1 1 35 35 TYR HE1 H 1 7.0300 0.0000 . 3 . . . . A 56 TYR HE1 . 34225 1 292 . 1 1 35 35 TYR HE2 H 1 7.0320 0.0000 . 3 . . . . A 56 TYR HE2 . 34225 1 293 . 1 1 35 35 TYR C C 13 179.0000 0.0000 . 1 . . . . A 56 TYR C . 34225 1 294 . 1 1 35 35 TYR CA C 13 60.9400 0.0000 . 1 . . . . A 56 TYR CA . 34225 1 295 . 1 1 35 35 TYR CB C 13 37.9000 0.0000 . 1 . . . . A 56 TYR CB . 34225 1 296 . 1 1 35 35 TYR CD1 C 13 133.2000 0.0000 . 3 . . . . A 56 TYR CD1 . 34225 1 297 . 1 1 35 35 TYR CD2 C 13 133.2000 0.0000 . 3 . . . . A 56 TYR CD2 . 34225 1 298 . 1 1 35 35 TYR CE1 C 13 118.2000 0.0000 . 3 . . . . A 56 TYR CE1 . 34225 1 299 . 1 1 35 35 TYR CE2 C 13 119.6000 0.0000 . 3 . . . . A 56 TYR CE2 . 34225 1 300 . 1 1 35 35 TYR N N 15 126.6600 0.0000 . 1 . . . . A 56 TYR N . 34225 1 301 . 1 1 36 36 HIS H H 1 9.4520 0.0000 . 1 . . . . A 57 HIS H . 34225 1 302 . 1 1 36 36 HIS HA H 1 3.8540 0.0000 . 1 . . . . A 57 HIS HA . 34225 1 303 . 1 1 36 36 HIS HB2 H 1 3.0770 0.0000 . 2 . . . . A 57 HIS HB2 . 34225 1 304 . 1 1 36 36 HIS HB3 H 1 1.6450 0.0000 . 2 . . . . A 57 HIS HB3 . 34225 1 305 . 1 1 36 36 HIS HD1 H 1 12.7000 0.0000 . 1 . . . . A 57 HIS HD1 . 34225 1 306 . 1 1 36 36 HIS HD2 H 1 6.7500 0.0000 . 1 . . . . A 57 HIS HD2 . 34225 1 307 . 1 1 36 36 HIS HE1 H 1 8.0770 0.0000 . 1 . . . . A 57 HIS HE1 . 34225 1 308 . 1 1 36 36 HIS HE2 H 1 16.9200 0.0000 . 1 . . . . A 57 HIS HE2 . 34225 1 309 . 1 1 36 36 HIS C C 13 175.1000 0.0000 . 1 . . . . A 57 HIS C . 34225 1 310 . 1 1 36 36 HIS CA C 13 59.1500 0.0000 . 1 . . . . A 57 HIS CA . 34225 1 311 . 1 1 36 36 HIS CB C 13 28.9000 0.0000 . 1 . . . . A 57 HIS CB . 34225 1 312 . 1 1 36 36 HIS CD2 C 13 116.8000 0.0000 . 1 . . . . A 57 HIS CD2 . 34225 1 313 . 1 1 36 36 HIS CE1 C 13 136.8000 0.0000 . 1 . . . . A 57 HIS CE1 . 34225 1 314 . 1 1 36 36 HIS N N 15 117.5930 0.0000 . 1 . . . . A 57 HIS N . 34225 1 315 . 1 1 36 36 HIS ND1 N 15 239.2000 0.0000 . 1 . . . . A 57 HIS ND1 . 34225 1 316 . 1 1 36 36 HIS NE2 N 15 172.6000 0.0000 . 1 . . . . A 57 HIS NE2 . 34225 1 317 . 1 1 37 37 GLY H H 1 6.0860 0.0000 . 1 . . . . A 58 GLY H . 34225 1 318 . 1 1 37 37 GLY HA2 H 1 3.4270 0.0000 . 2 . . . . A 58 GLY HA2 . 34225 1 319 . 1 1 37 37 GLY HA3 H 1 1.7800 0.0000 . 2 . . . . A 58 GLY HA3 . 34225 1 320 . 1 1 37 37 GLY C C 13 172.3000 0.0000 . 1 . . . . A 58 GLY C . 34225 1 321 . 1 1 37 37 GLY CA C 13 45.6000 0.0000 . 1 . . . . A 58 GLY CA . 34225 1 322 . 1 1 37 37 GLY N N 15 104.8030 0.0000 . 1 . . . . A 58 GLY N . 34225 1 323 . 1 1 38 38 ALA H H 1 7.4900 0.0000 . 1 . . . . A 59 ALA H . 34225 1 324 . 1 1 38 38 ALA HA H 1 4.2280 0.0000 . 1 . . . . A 59 ALA HA . 34225 1 325 . 1 1 38 38 ALA HB1 H 1 1.4490 0.0000 . 1 . . . . A 59 ALA HB1 . 34225 1 326 . 1 1 38 38 ALA HB2 H 1 1.4490 0.0000 . 1 . . . . A 59 ALA HB2 . 34225 1 327 . 1 1 38 38 ALA HB3 H 1 1.4490 0.0000 . 1 . . . . A 59 ALA HB3 . 34225 1 328 . 1 1 38 38 ALA C C 13 177.7000 0.0000 . 1 . . . . A 59 ALA C . 34225 1 329 . 1 1 38 38 ALA CA C 13 53.6220 0.0000 . 1 . . . . A 59 ALA CA . 34225 1 330 . 1 1 38 38 ALA CB C 13 22.2000 0.0000 . 1 . . . . A 59 ALA CB . 34225 1 331 . 1 1 38 38 ALA N N 15 121.9540 0.0000 . 1 . . . . A 59 ALA N . 34225 1 332 . 1 1 39 39 GLY H H 1 8.6240 0.0000 . 1 . . . . A 60 GLY H . 34225 1 333 . 1 1 39 39 GLY HA2 H 1 4.0000 0.0000 . 2 . . . . A 60 GLY HA2 . 34225 1 334 . 1 1 39 39 GLY HA3 H 1 4.0000 0.0000 . 2 . . . . A 60 GLY HA3 . 34225 1 335 . 1 1 39 39 GLY CA C 13 46.8000 0.0000 . 1 . . . . A 60 GLY CA . 34225 1 336 . 1 1 39 39 GLY N N 15 107.3950 0.0000 . 1 . . . . A 60 GLY N . 34225 1 337 . 1 1 40 40 SER HA H 1 4.3600 0.0000 . 1 . . . . A 61 SER HA . 34225 1 338 . 1 1 40 40 SER HB2 H 1 4.1200 0.0000 . 2 . . . . A 61 SER HB2 . 34225 1 339 . 1 1 40 40 SER HB3 H 1 4.1200 0.0000 . 2 . . . . A 61 SER HB3 . 34225 1 340 . 1 1 40 40 SER C C 13 174.2000 0.0000 . 1 . . . . A 61 SER C . 34225 1 341 . 1 1 40 40 SER CA C 13 59.6000 0.0000 . 1 . . . . A 61 SER CA . 34225 1 342 . 1 1 40 40 SER CB C 13 63.8000 0.0000 . 1 . . . . A 61 SER CB . 34225 1 343 . 1 1 41 41 LYS H H 1 7.9080 0.0000 . 1 . . . . A 62 LYS H . 34225 1 344 . 1 1 41 41 LYS HA H 1 4.6400 0.0000 . 1 . . . . A 62 LYS HA . 34225 1 345 . 1 1 41 41 LYS HB2 H 1 1.7500 0.0000 . 2 . . . . A 62 LYS HB2 . 34225 1 346 . 1 1 41 41 LYS HB3 H 1 2.0740 0.0000 . 2 . . . . A 62 LYS HB3 . 34225 1 347 . 1 1 41 41 LYS HG2 H 1 1.5200 0.0000 . 2 . . . . A 62 LYS HG2 . 34225 1 348 . 1 1 41 41 LYS HG3 H 1 1.4600 0.0000 . 2 . . . . A 62 LYS HG3 . 34225 1 349 . 1 1 41 41 LYS C C 13 176.3000 0.0000 . 1 . . . . A 62 LYS C . 34225 1 350 . 1 1 41 41 LYS CA C 13 55.2000 0.0000 . 1 . . . . A 62 LYS CA . 34225 1 351 . 1 1 41 41 LYS N N 15 120.7620 0.0000 . 1 . . . . A 62 LYS N . 34225 1 352 . 1 1 42 42 THR H H 1 8.0910 0.0000 . 1 . . . . A 63 THR H . 34225 1 353 . 1 1 42 42 THR HA H 1 4.3000 0.0000 . 1 . . . . A 63 THR HA . 34225 1 354 . 1 1 42 42 THR HB H 1 4.1400 0.0000 . 1 . . . . A 63 THR HB . 34225 1 355 . 1 1 42 42 THR HG21 H 1 1.2700 0.0000 . 1 . . . . A 63 THR HG21 . 34225 1 356 . 1 1 42 42 THR HG22 H 1 1.2700 0.0000 . 1 . . . . A 63 THR HG22 . 34225 1 357 . 1 1 42 42 THR HG23 H 1 1.2700 0.0000 . 1 . . . . A 63 THR HG23 . 34225 1 358 . 1 1 42 42 THR C C 13 173.5000 0.0000 . 1 . . . . A 63 THR C . 34225 1 359 . 1 1 42 42 THR CA C 13 63.4000 0.0000 . 1 . . . . A 63 THR CA . 34225 1 360 . 1 1 42 42 THR CB C 13 69.5000 0.0000 . 1 . . . . A 63 THR CB . 34225 1 361 . 1 1 42 42 THR CG2 C 13 22.0000 0.0000 . 1 . . . . A 63 THR CG2 . 34225 1 362 . 1 1 42 42 THR N N 15 115.5830 0.0000 . 1 . . . . A 63 THR N . 34225 1 363 . 1 1 43 43 LEU HA H 1 4.6600 0.0000 . 1 . . . . A 64 LEU HA . 34225 1 364 . 1 1 43 43 LEU HB2 H 1 1.0900 0.0000 . 2 . . . . A 64 LEU HB2 . 34225 1 365 . 1 1 43 43 LEU HB3 H 1 1.4910 0.0000 . 2 . . . . A 64 LEU HB3 . 34225 1 366 . 1 1 43 43 LEU HD11 H 1 0.6850 0.0000 . 2 . . . . A 64 LEU HD11 . 34225 1 367 . 1 1 43 43 LEU HD12 H 1 0.6850 0.0000 . 2 . . . . A 64 LEU HD12 . 34225 1 368 . 1 1 43 43 LEU HD13 H 1 0.6850 0.0000 . 2 . . . . A 64 LEU HD13 . 34225 1 369 . 1 1 43 43 LEU HD21 H 1 0.5600 0.0000 . 2 . . . . A 64 LEU HD21 . 34225 1 370 . 1 1 43 43 LEU HD22 H 1 0.5600 0.0000 . 2 . . . . A 64 LEU HD22 . 34225 1 371 . 1 1 43 43 LEU HD23 H 1 0.5600 0.0000 . 2 . . . . A 64 LEU HD23 . 34225 1 372 . 1 1 43 43 LEU CA C 13 53.9000 0.0000 . 1 . . . . A 64 LEU CA . 34225 1 373 . 1 1 43 43 LEU CB C 13 46.7000 0.0000 . 1 . . . . A 64 LEU CB . 34225 1 374 . 1 1 43 43 LEU CD1 C 13 25.6000 0.0000 . 1 . . . . A 64 LEU CD1 . 34225 1 375 . 1 1 43 43 LEU CD2 C 13 26.3000 0.0000 . 1 . . . . A 64 LEU CD2 . 34225 1 376 . 1 1 44 44 ALA H H 1 8.9000 0.0000 . 1 . . . . A 65 ALA H . 34225 1 377 . 1 1 44 44 ALA HA H 1 4.6200 0.0000 . 1 . . . . A 65 ALA HA . 34225 1 378 . 1 1 44 44 ALA HB1 H 1 1.3060 0.0000 . 1 . . . . A 65 ALA HB1 . 34225 1 379 . 1 1 44 44 ALA HB2 H 1 1.3060 0.0000 . 1 . . . . A 65 ALA HB2 . 34225 1 380 . 1 1 44 44 ALA HB3 H 1 1.3060 0.0000 . 1 . . . . A 65 ALA HB3 . 34225 1 381 . 1 1 44 44 ALA C C 13 176.6000 0.0000 . 1 . . . . A 65 ALA C . 34225 1 382 . 1 1 44 44 ALA CA C 13 51.6700 0.0000 . 1 . . . . A 65 ALA CA . 34225 1 383 . 1 1 44 44 ALA CB C 13 22.2380 0.0000 . 1 . . . . A 65 ALA CB . 34225 1 384 . 1 1 44 44 ALA N N 15 127.0000 0.0000 . 1 . . . . A 65 ALA N . 34225 1 385 . 1 1 45 45 GLY H H 1 7.9420 0.0000 . 1 . . . . A 66 GLY H . 34225 1 386 . 1 1 45 45 GLY HA2 H 1 4.0100 0.0000 . 2 . . . . A 66 GLY HA2 . 34225 1 387 . 1 1 45 45 GLY HA3 H 1 4.7500 0.0000 . 2 . . . . A 66 GLY HA3 . 34225 1 388 . 1 1 45 45 GLY C C 13 173.5000 0.0000 . 1 . . . . A 66 GLY C . 34225 1 389 . 1 1 45 45 GLY CA C 13 44.7600 0.0000 . 1 . . . . A 66 GLY CA . 34225 1 390 . 1 1 45 45 GLY N N 15 109.8150 0.0000 . 1 . . . . A 66 GLY N . 34225 1 391 . 1 1 46 46 PRO HA H 1 4.4400 0.0000 . 1 . . . . A 67 PRO HA . 34225 1 392 . 1 1 46 46 PRO HB2 H 1 2.0180 0.0000 . 2 . . . . A 67 PRO HB2 . 34225 1 393 . 1 1 46 46 PRO HB3 H 1 2.5400 0.0000 . 2 . . . . A 67 PRO HB3 . 34225 1 394 . 1 1 46 46 PRO HG2 H 1 2.2400 0.0000 . 2 . . . . A 67 PRO HG2 . 34225 1 395 . 1 1 46 46 PRO HG3 H 1 2.1800 0.0000 . 2 . . . . A 67 PRO HG3 . 34225 1 396 . 1 1 46 46 PRO HD2 H 1 3.8200 0.0000 . 2 . . . . A 67 PRO HD2 . 34225 1 397 . 1 1 46 46 PRO HD3 H 1 3.8200 0.0000 . 2 . . . . A 67 PRO HD3 . 34225 1 398 . 1 1 46 46 PRO C C 13 178.0000 0.0000 . 1 . . . . A 67 PRO C . 34225 1 399 . 1 1 46 46 PRO CA C 13 65.1000 0.0000 . 1 . . . . A 67 PRO CA . 34225 1 400 . 1 1 46 46 PRO CB C 13 32.9000 0.0000 . 1 . . . . A 67 PRO CB . 34225 1 401 . 1 1 46 46 PRO CG C 13 27.9000 0.0000 . 1 . . . . A 67 PRO CG . 34225 1 402 . 1 1 46 46 PRO CD C 13 51.6000 0.0000 . 1 . . . . A 67 PRO CD . 34225 1 403 . 1 1 47 47 LYS H H 1 8.7070 0.0000 . 1 . . . . A 68 LYS H . 34225 1 404 . 1 1 47 47 LYS HA H 1 4.6500 0.0000 . 1 . . . . A 68 LYS HA . 34225 1 405 . 1 1 47 47 LYS HB2 H 1 1.7900 0.0000 . 2 . . . . A 68 LYS HB2 . 34225 1 406 . 1 1 47 47 LYS HB3 H 1 2.1200 0.0000 . 2 . . . . A 68 LYS HB3 . 34225 1 407 . 1 1 47 47 LYS HG2 H 1 1.4400 0.0000 . 2 . . . . A 68 LYS HG2 . 34225 1 408 . 1 1 47 47 LYS HG3 H 1 1.5400 0.0000 . 2 . . . . A 68 LYS HG3 . 34225 1 409 . 1 1 47 47 LYS HD2 H 1 3.0800 0.0000 . 2 . . . . A 68 LYS HD2 . 34225 1 410 . 1 1 47 47 LYS HD3 H 1 3.0800 0.0000 . 2 . . . . A 68 LYS HD3 . 34225 1 411 . 1 1 47 47 LYS C C 13 176.5000 0.0000 . 1 . . . . A 68 LYS C . 34225 1 412 . 1 1 47 47 LYS CA C 13 54.9000 0.0000 . 1 . . . . A 68 LYS CA . 34225 1 413 . 1 1 47 47 LYS CB C 13 32.7000 0.0000 . 1 . . . . A 68 LYS CB . 34225 1 414 . 1 1 47 47 LYS CG C 13 25.4000 0.0000 . 1 . . . . A 68 LYS CG . 34225 1 415 . 1 1 47 47 LYS CD C 13 42.4000 0.0000 . 1 . . . . A 68 LYS CD . 34225 1 416 . 1 1 47 47 LYS N N 15 115.6120 0.0000 . 1 . . . . A 68 LYS N . 34225 1 417 . 1 1 48 48 GLY H H 1 7.6370 0.0000 . 1 . . . . A 69 GLY H . 34225 1 418 . 1 1 48 48 GLY HA2 H 1 4.6710 0.0000 . 2 . . . . A 69 GLY HA2 . 34225 1 419 . 1 1 48 48 GLY HA3 H 1 3.8900 0.0000 . 2 . . . . A 69 GLY HA3 . 34225 1 420 . 1 1 48 48 GLY C C 13 171.6000 0.0000 . 1 . . . . A 69 GLY C . 34225 1 421 . 1 1 48 48 GLY CA C 13 44.3000 0.0000 . 1 . . . . A 69 GLY CA . 34225 1 422 . 1 1 48 48 GLY N N 15 108.9220 0.0000 . 1 . . . . A 69 GLY N . 34225 1 423 . 1 1 49 49 PRO HA H 1 4.6290 0.0000 . 1 . . . . A 70 PRO HA . 34225 1 424 . 1 1 49 49 PRO HB2 H 1 1.8730 0.0000 . 2 . . . . A 70 PRO HB2 . 34225 1 425 . 1 1 49 49 PRO HB3 H 1 2.3250 0.0000 . 2 . . . . A 70 PRO HB3 . 34225 1 426 . 1 1 49 49 PRO HG2 H 1 2.1790 0.0000 . 2 . . . . A 70 PRO HG2 . 34225 1 427 . 1 1 49 49 PRO HG3 H 1 2.0860 0.0000 . 2 . . . . A 70 PRO HG3 . 34225 1 428 . 1 1 49 49 PRO HD2 H 1 3.6900 0.0000 . 2 . . . . A 70 PRO HD2 . 34225 1 429 . 1 1 49 49 PRO HD3 H 1 3.6900 0.0000 . 2 . . . . A 70 PRO HD3 . 34225 1 430 . 1 1 49 49 PRO C C 13 176.0000 0.0000 . 1 . . . . A 70 PRO C . 34225 1 431 . 1 1 49 49 PRO CA C 13 63.2550 0.0000 . 1 . . . . A 70 PRO CA . 34225 1 432 . 1 1 49 49 PRO CB C 13 32.8000 0.0000 . 1 . . . . A 70 PRO CB . 34225 1 433 . 1 1 49 49 PRO CG C 13 27.5000 0.0000 . 1 . . . . A 70 PRO CG . 34225 1 434 . 1 1 49 49 PRO CD C 13 50.3600 0.0000 . 1 . . . . A 70 PRO CD . 34225 1 435 . 1 1 50 50 ILE H H 1 8.3520 0.0000 . 1 . . . . A 71 ILE H . 34225 1 436 . 1 1 50 50 ILE HA H 1 3.8030 0.0000 . 1 . . . . A 71 ILE HA . 34225 1 437 . 1 1 50 50 ILE HB H 1 1.1600 0.0000 . 1 . . . . A 71 ILE HB . 34225 1 438 . 1 1 50 50 ILE HG12 H 1 0.8600 0.0000 . 2 . . . . A 71 ILE HG12 . 34225 1 439 . 1 1 50 50 ILE HG13 H 1 0.8600 0.0000 . 2 . . . . A 71 ILE HG13 . 34225 1 440 . 1 1 50 50 ILE HD11 H 1 0.3000 0.0000 . 1 . . . . A 71 ILE HD11 . 34225 1 441 . 1 1 50 50 ILE HD12 H 1 0.3000 0.0000 . 1 . . . . A 71 ILE HD12 . 34225 1 442 . 1 1 50 50 ILE HD13 H 1 0.3000 0.0000 . 1 . . . . A 71 ILE HD13 . 34225 1 443 . 1 1 50 50 ILE CA C 13 60.9600 0.0000 . 1 . . . . A 71 ILE CA . 34225 1 444 . 1 1 50 50 ILE CD1 C 13 13.8000 0.0000 . 1 . . . . A 71 ILE CD1 . 34225 1 445 . 1 1 50 50 ILE N N 15 124.7070 0.0000 . 1 . . . . A 71 ILE N . 34225 1 446 . 1 1 51 51 THR HA H 1 4.3100 0.0000 . 1 . . . . A 72 THR HA . 34225 1 447 . 1 1 51 51 THR HB H 1 4.0240 0.0000 . 1 . . . . A 72 THR HB . 34225 1 448 . 1 1 51 51 THR HG21 H 1 1.2010 0.0000 . 1 . . . . A 72 THR HG21 . 34225 1 449 . 1 1 51 51 THR HG22 H 1 1.2010 0.0000 . 1 . . . . A 72 THR HG22 . 34225 1 450 . 1 1 51 51 THR HG23 H 1 1.2010 0.0000 . 1 . . . . A 72 THR HG23 . 34225 1 451 . 1 1 51 51 THR CA C 13 61.7700 0.0000 . 1 . . . . A 72 THR CA . 34225 1 452 . 1 1 51 51 THR CB C 13 69.8000 0.0000 . 1 . . . . A 72 THR CB . 34225 1 453 . 1 1 51 51 THR CG2 C 13 21.5000 0.0000 . 1 . . . . A 72 THR CG2 . 34225 1 454 . 1 1 53 53 MET C C 13 175.0000 0.0000 . 1 . . . . A 74 MET C . 34225 1 455 . 1 1 54 54 TYR H H 1 8.3190 0.0000 . 1 . . . . A 75 TYR H . 34225 1 456 . 1 1 54 54 TYR HA H 1 5.6000 0.0000 . 1 . . . . A 75 TYR HA . 34225 1 457 . 1 1 54 54 TYR HB2 H 1 2.5660 0.0000 . 2 . . . . A 75 TYR HB2 . 34225 1 458 . 1 1 54 54 TYR HB3 H 1 3.2500 0.0000 . 2 . . . . A 75 TYR HB3 . 34225 1 459 . 1 1 54 54 TYR HD1 H 1 6.7200 0.0000 . 3 . . . . A 75 TYR HD1 . 34225 1 460 . 1 1 54 54 TYR HD2 H 1 6.7200 0.0000 . 3 . . . . A 75 TYR HD2 . 34225 1 461 . 1 1 54 54 TYR C C 13 175.9000 0.0000 . 1 . . . . A 75 TYR C . 34225 1 462 . 1 1 54 54 TYR CA C 13 54.9500 0.0000 . 1 . . . . A 75 TYR CA . 34225 1 463 . 1 1 54 54 TYR CB C 13 41.9400 0.0000 . 1 . . . . A 75 TYR CB . 34225 1 464 . 1 1 54 54 TYR N N 15 119.7590 0.0000 . 1 . . . . A 75 TYR N . 34225 1 465 . 1 1 55 55 THR H H 1 9.0090 0.0000 . 1 . . . . A 76 THR H . 34225 1 466 . 1 1 55 55 THR HA H 1 5.2100 0.0000 . 1 . . . . A 76 THR HA . 34225 1 467 . 1 1 55 55 THR HB H 1 4.1900 0.0000 . 1 . . . . A 76 THR HB . 34225 1 468 . 1 1 55 55 THR HG21 H 1 1.4600 0.0000 . 1 . . . . A 76 THR HG21 . 34225 1 469 . 1 1 55 55 THR HG22 H 1 1.4600 0.0000 . 1 . . . . A 76 THR HG22 . 34225 1 470 . 1 1 55 55 THR HG23 H 1 1.4600 0.0000 . 1 . . . . A 76 THR HG23 . 34225 1 471 . 1 1 55 55 THR C C 13 173.6000 0.0000 . 1 . . . . A 76 THR C . 34225 1 472 . 1 1 55 55 THR CA C 13 62.5000 0.0000 . 1 . . . . A 76 THR CA . 34225 1 473 . 1 1 55 55 THR CB C 13 72.7000 0.0000 . 1 . . . . A 76 THR CB . 34225 1 474 . 1 1 55 55 THR CG2 C 13 22.5200 0.0000 . 1 . . . . A 76 THR CG2 . 34225 1 475 . 1 1 55 55 THR N N 15 117.1160 0.0000 . 1 . . . . A 76 THR N . 34225 1 476 . 1 1 56 56 ASN H H 1 9.3610 0.0000 . 1 . . . . A 77 ASN H . 34225 1 477 . 1 1 56 56 ASN HA H 1 4.9610 0.0000 . 1 . . . . A 77 ASN HA . 34225 1 478 . 1 1 56 56 ASN HB2 H 1 2.8920 0.0000 . 2 . . . . A 77 ASN HB2 . 34225 1 479 . 1 1 56 56 ASN HB3 H 1 2.9090 0.0000 . 2 . . . . A 77 ASN HB3 . 34225 1 480 . 1 1 56 56 ASN CA C 13 52.2000 0.0000 . 1 . . . . A 77 ASN CA . 34225 1 481 . 1 1 56 56 ASN CB C 13 39.1500 0.0000 . 1 . . . . A 77 ASN CB . 34225 1 482 . 1 1 56 56 ASN N N 15 123.5580 0.0000 . 1 . . . . A 77 ASN N . 34225 1 483 . 1 1 57 57 VAL HA H 1 3.2000 0.0000 . 1 . . . . A 78 VAL HA . 34225 1 484 . 1 1 57 57 VAL HB H 1 1.9310 0.0000 . 1 . . . . A 78 VAL HB . 34225 1 485 . 1 1 57 57 VAL HG11 H 1 0.8580 0.0000 . 2 . . . . A 78 VAL HG11 . 34225 1 486 . 1 1 57 57 VAL HG12 H 1 0.8580 0.0000 . 2 . . . . A 78 VAL HG12 . 34225 1 487 . 1 1 57 57 VAL HG13 H 1 0.8580 0.0000 . 2 . . . . A 78 VAL HG13 . 34225 1 488 . 1 1 57 57 VAL HG21 H 1 0.6430 0.0000 . 2 . . . . A 78 VAL HG21 . 34225 1 489 . 1 1 57 57 VAL HG22 H 1 0.6430 0.0000 . 2 . . . . A 78 VAL HG22 . 34225 1 490 . 1 1 57 57 VAL HG23 H 1 0.6430 0.0000 . 2 . . . . A 78 VAL HG23 . 34225 1 491 . 1 1 57 57 VAL C C 13 178.7000 0.0000 . 1 . . . . A 78 VAL C . 34225 1 492 . 1 1 57 57 VAL CA C 13 67.4700 0.0000 . 1 . . . . A 78 VAL CA . 34225 1 493 . 1 1 57 57 VAL CB C 13 31.8000 0.0000 . 1 . . . . A 78 VAL CB . 34225 1 494 . 1 1 57 57 VAL CG1 C 13 21.2000 0.0000 . 1 . . . . A 78 VAL CG1 . 34225 1 495 . 1 1 57 57 VAL CG2 C 13 21.9000 0.0000 . 1 . . . . A 78 VAL CG2 . 34225 1 496 . 1 1 58 58 ASP H H 1 8.2000 0.0000 . 1 . . . . A 79 ASP H . 34225 1 497 . 1 1 58 58 ASP HA H 1 4.5610 0.0000 . 1 . . . . A 79 ASP HA . 34225 1 498 . 1 1 58 58 ASP HB2 H 1 2.8300 0.0000 . 2 . . . . A 79 ASP HB2 . 34225 1 499 . 1 1 58 58 ASP HB3 H 1 2.9090 0.0000 . 2 . . . . A 79 ASP HB3 . 34225 1 500 . 1 1 58 58 ASP C C 13 178.4000 0.0000 . 1 . . . . A 79 ASP C . 34225 1 501 . 1 1 58 58 ASP CA C 13 57.8000 0.0000 . 1 . . . . A 79 ASP CA . 34225 1 502 . 1 1 58 58 ASP CB C 13 41.2500 0.0000 . 1 . . . . A 79 ASP CB . 34225 1 503 . 1 1 58 58 ASP N N 15 119.9130 0.0000 . 1 . . . . A 79 ASP N . 34225 1 504 . 1 1 59 59 GLN H H 1 7.2930 0.0000 . 1 . . . . A 80 GLN H . 34225 1 505 . 1 1 59 59 GLN HA H 1 4.4300 0.0000 . 1 . . . . A 80 GLN HA . 34225 1 506 . 1 1 59 59 GLN HB2 H 1 1.4100 0.0000 . 2 . . . . A 80 GLN HB2 . 34225 1 507 . 1 1 59 59 GLN HB3 H 1 2.5050 0.0000 . 2 . . . . A 80 GLN HB3 . 34225 1 508 . 1 1 59 59 GLN HG2 H 1 2.3630 0.0000 . 2 . . . . A 80 GLN HG2 . 34225 1 509 . 1 1 59 59 GLN HG3 H 1 2.3630 0.0000 . 2 . . . . A 80 GLN HG3 . 34225 1 510 . 1 1 59 59 GLN C C 13 175.4000 0.0000 . 1 . . . . A 80 GLN C . 34225 1 511 . 1 1 59 59 GLN CA C 13 54.6000 0.0000 . 1 . . . . A 80 GLN CA . 34225 1 512 . 1 1 59 59 GLN CB C 13 29.3700 0.0000 . 1 . . . . A 80 GLN CB . 34225 1 513 . 1 1 59 59 GLN CG C 13 33.5000 0.0000 . 1 . . . . A 80 GLN CG . 34225 1 514 . 1 1 59 59 GLN N N 15 113.9300 0.0000 . 1 . . . . A 80 GLN N . 34225 1 515 . 1 1 60 60 ASP H H 1 8.4340 0.0000 . 1 . . . . A 81 ASP H . 34225 1 516 . 1 1 60 60 ASP HA H 1 4.2800 0.0000 . 1 . . . . A 81 ASP HA . 34225 1 517 . 1 1 60 60 ASP HB2 H 1 2.9170 0.0000 . 2 . . . . A 81 ASP HB2 . 34225 1 518 . 1 1 60 60 ASP HB3 H 1 2.9170 0.0000 . 2 . . . . A 81 ASP HB3 . 34225 1 519 . 1 1 60 60 ASP CA C 13 54.5000 0.0000 . 1 . . . . A 81 ASP CA . 34225 1 520 . 1 1 60 60 ASP CB C 13 38.1930 0.0000 . 1 . . . . A 81 ASP CB . 34225 1 521 . 1 1 60 60 ASP N N 15 117.2630 0.0000 . 1 . . . . A 81 ASP N . 34225 1 522 . 1 1 61 61 LEU HA H 1 5.7630 0.0000 . 1 . . . . A 82 LEU HA . 34225 1 523 . 1 1 61 61 LEU HB2 H 1 1.9070 0.0000 . 2 . . . . A 82 LEU HB2 . 34225 1 524 . 1 1 61 61 LEU HB3 H 1 1.5260 0.0000 . 2 . . . . A 82 LEU HB3 . 34225 1 525 . 1 1 61 61 LEU HD11 H 1 0.5960 0.0000 . 2 . . . . A 82 LEU HD11 . 34225 1 526 . 1 1 61 61 LEU HD12 H 1 0.5960 0.0000 . 2 . . . . A 82 LEU HD12 . 34225 1 527 . 1 1 61 61 LEU HD13 H 1 0.5960 0.0000 . 2 . . . . A 82 LEU HD13 . 34225 1 528 . 1 1 61 61 LEU HD21 H 1 0.9800 0.0000 . 2 . . . . A 82 LEU HD21 . 34225 1 529 . 1 1 61 61 LEU HD22 H 1 0.9800 0.0000 . 2 . . . . A 82 LEU HD22 . 34225 1 530 . 1 1 61 61 LEU HD23 H 1 0.9800 0.0000 . 2 . . . . A 82 LEU HD23 . 34225 1 531 . 1 1 61 61 LEU C C 13 176.7000 0.0000 . 1 . . . . A 82 LEU C . 34225 1 532 . 1 1 61 61 LEU CA C 13 54.2000 0.0000 . 1 . . . . A 82 LEU CA . 34225 1 533 . 1 1 61 61 LEU CB C 13 49.1800 0.0000 . 1 . . . . A 82 LEU CB . 34225 1 534 . 1 1 61 61 LEU CD1 C 13 24.8720 0.0000 . 1 . . . . A 82 LEU CD1 . 34225 1 535 . 1 1 61 61 LEU CD2 C 13 24.9000 0.0000 . 1 . . . . A 82 LEU CD2 . 34225 1 536 . 1 1 62 62 VAL H H 1 8.9020 0.0000 . 1 . . . . A 83 VAL H . 34225 1 537 . 1 1 62 62 VAL HA H 1 5.4600 0.0000 . 1 . . . . A 83 VAL HA . 34225 1 538 . 1 1 62 62 VAL HB H 1 1.7600 0.0000 . 1 . . . . A 83 VAL HB . 34225 1 539 . 1 1 62 62 VAL HG11 H 1 1.1740 0.0000 . 2 . . . . A 83 VAL HG11 . 34225 1 540 . 1 1 62 62 VAL HG12 H 1 1.1740 0.0000 . 2 . . . . A 83 VAL HG12 . 34225 1 541 . 1 1 62 62 VAL HG13 H 1 1.1740 0.0000 . 2 . . . . A 83 VAL HG13 . 34225 1 542 . 1 1 62 62 VAL HG21 H 1 0.8670 0.0000 . 2 . . . . A 83 VAL HG21 . 34225 1 543 . 1 1 62 62 VAL HG22 H 1 0.8670 0.0000 . 2 . . . . A 83 VAL HG22 . 34225 1 544 . 1 1 62 62 VAL HG23 H 1 0.8670 0.0000 . 2 . . . . A 83 VAL HG23 . 34225 1 545 . 1 1 62 62 VAL C C 13 174.5000 0.0000 . 1 . . . . A 83 VAL C . 34225 1 546 . 1 1 62 62 VAL CA C 13 61.2000 0.0000 . 1 . . . . A 83 VAL CA . 34225 1 547 . 1 1 62 62 VAL CG1 C 13 22.6000 0.0000 . 1 . . . . A 83 VAL CG1 . 34225 1 548 . 1 1 62 62 VAL CG2 C 13 17.8000 0.0000 . 1 . . . . A 83 VAL CG2 . 34225 1 549 . 1 1 62 62 VAL N N 15 120.9670 0.0000 . 1 . . . . A 83 VAL N . 34225 1 550 . 1 1 63 63 GLY H H 1 9.3510 0.0000 . 1 . . . . A 84 GLY H . 34225 1 551 . 1 1 63 63 GLY HA2 H 1 2.9240 0.0000 . 2 . . . . A 84 GLY HA2 . 34225 1 552 . 1 1 63 63 GLY HA3 H 1 5.2940 0.0000 . 2 . . . . A 84 GLY HA3 . 34225 1 553 . 1 1 63 63 GLY C C 13 174.1000 0.0000 . 1 . . . . A 84 GLY C . 34225 1 554 . 1 1 63 63 GLY CA C 13 46.4900 0.0000 . 1 . . . . A 84 GLY CA . 34225 1 555 . 1 1 63 63 GLY N N 15 111.2220 0.0000 . 1 . . . . A 84 GLY N . 34225 1 556 . 1 1 64 64 TRP H H 1 8.5350 0.0000 . 1 . . . . A 85 TRP H . 34225 1 557 . 1 1 64 64 TRP HA H 1 4.6350 0.0000 . 1 . . . . A 85 TRP HA . 34225 1 558 . 1 1 64 64 TRP HB2 H 1 3.6100 0.0000 . 2 . . . . A 85 TRP HB2 . 34225 1 559 . 1 1 64 64 TRP HB3 H 1 3.1100 0.0000 . 2 . . . . A 85 TRP HB3 . 34225 1 560 . 1 1 64 64 TRP HD1 H 1 6.9110 0.0000 . 1 . . . . A 85 TRP HD1 . 34225 1 561 . 1 1 64 64 TRP HE1 H 1 10.4870 0.0000 . 1 . . . . A 85 TRP HE1 . 34225 1 562 . 1 1 64 64 TRP HE3 H 1 7.4800 0.0000 . 1 . . . . A 85 TRP HE3 . 34225 1 563 . 1 1 64 64 TRP HZ2 H 1 6.5400 0.0000 . 1 . . . . A 85 TRP HZ2 . 34225 1 564 . 1 1 64 64 TRP HZ3 H 1 6.6520 0.0000 . 1 . . . . A 85 TRP HZ3 . 34225 1 565 . 1 1 64 64 TRP HH2 H 1 6.9900 0.0000 . 1 . . . . A 85 TRP HH2 . 34225 1 566 . 1 1 64 64 TRP CB C 13 31.8600 0.0000 . 1 . . . . A 85 TRP CB . 34225 1 567 . 1 1 64 64 TRP CD1 C 13 127.1000 0.0000 . 1 . . . . A 85 TRP CD1 . 34225 1 568 . 1 1 64 64 TRP CE3 C 13 121.0000 0.0000 . 1 . . . . A 85 TRP CE3 . 34225 1 569 . 1 1 64 64 TRP CZ2 C 13 122.6000 0.0000 . 1 . . . . A 85 TRP CZ2 . 34225 1 570 . 1 1 64 64 TRP CZ3 C 13 118.8000 0.0000 . 1 . . . . A 85 TRP CZ3 . 34225 1 571 . 1 1 64 64 TRP CH2 C 13 113.9000 0.0000 . 1 . . . . A 85 TRP CH2 . 34225 1 572 . 1 1 64 64 TRP N N 15 119.1110 0.0000 . 1 . . . . A 85 TRP N . 34225 1 573 . 1 1 64 64 TRP NE1 N 15 131.1130 0.0000 . 1 . . . . A 85 TRP NE1 . 34225 1 574 . 1 1 65 65 GLN HA H 1 4.1300 0.0000 . 1 . . . . A 86 GLN HA . 34225 1 575 . 1 1 65 65 GLN HB2 H 1 2.2300 0.0000 . 2 . . . . A 86 GLN HB2 . 34225 1 576 . 1 1 65 65 GLN HB3 H 1 2.2300 0.0000 . 2 . . . . A 86 GLN HB3 . 34225 1 577 . 1 1 65 65 GLN HG2 H 1 2.6610 0.0000 . 2 . . . . A 86 GLN HG2 . 34225 1 578 . 1 1 65 65 GLN HG3 H 1 2.6610 0.0000 . 2 . . . . A 86 GLN HG3 . 34225 1 579 . 1 1 65 65 GLN CA C 13 57.8000 0.0000 . 1 . . . . A 86 GLN CA . 34225 1 580 . 1 1 65 65 GLN CB C 13 29.5500 0.0000 . 1 . . . . A 86 GLN CB . 34225 1 581 . 1 1 66 66 ALA H H 1 8.2970 0.0000 . 1 . . . . A 87 ALA H . 34225 1 582 . 1 1 66 66 ALA HA H 1 4.5920 0.0000 . 1 . . . . A 87 ALA HA . 34225 1 583 . 1 1 66 66 ALA HB1 H 1 1.3080 0.0000 . 1 . . . . A 87 ALA HB1 . 34225 1 584 . 1 1 66 66 ALA HB2 H 1 1.3080 0.0000 . 1 . . . . A 87 ALA HB2 . 34225 1 585 . 1 1 66 66 ALA HB3 H 1 1.3080 0.0000 . 1 . . . . A 87 ALA HB3 . 34225 1 586 . 1 1 66 66 ALA C C 13 175.0000 0.0000 . 1 . . . . A 87 ALA C . 34225 1 587 . 1 1 66 66 ALA CA C 13 51.1300 0.0000 . 1 . . . . A 87 ALA CA . 34225 1 588 . 1 1 66 66 ALA CB C 13 18.9010 0.0000 . 1 . . . . A 87 ALA CB . 34225 1 589 . 1 1 66 66 ALA N N 15 129.2680 0.0000 . 1 . . . . A 87 ALA N . 34225 1 590 . 1 1 68 68 PRO HA H 1 4.4300 0.0000 . 1 . . . . A 89 PRO HA . 34225 1 591 . 1 1 68 68 PRO HB2 H 1 1.9900 0.0000 . 2 . . . . A 89 PRO HB2 . 34225 1 592 . 1 1 68 68 PRO HB3 H 1 2.4070 0.0000 . 2 . . . . A 89 PRO HB3 . 34225 1 593 . 1 1 68 68 PRO HG2 H 1 2.7170 0.0000 . 2 . . . . A 89 PRO HG2 . 34225 1 594 . 1 1 68 68 PRO HG3 H 1 2.1720 0.0000 . 2 . . . . A 89 PRO HG3 . 34225 1 595 . 1 1 68 68 PRO HD2 H 1 3.7000 0.0000 . 2 . . . . A 89 PRO HD2 . 34225 1 596 . 1 1 68 68 PRO HD3 H 1 3.9580 0.0000 . 2 . . . . A 89 PRO HD3 . 34225 1 597 . 1 1 68 68 PRO C C 13 178.6000 0.0000 . 1 . . . . A 89 PRO C . 34225 1 598 . 1 1 68 68 PRO CA C 13 64.2400 0.0000 . 1 . . . . A 89 PRO CA . 34225 1 599 . 1 1 68 68 PRO CB C 13 31.7800 0.0000 . 1 . . . . A 89 PRO CB . 34225 1 600 . 1 1 68 68 PRO CG C 13 28.1000 0.0000 . 1 . . . . A 89 PRO CG . 34225 1 601 . 1 1 68 68 PRO CD C 13 50.7600 0.0000 . 1 . . . . A 89 PRO CD . 34225 1 602 . 1 1 69 69 GLY HA2 H 1 4.1930 0.0000 . 2 . . . . A 90 GLY HA2 . 34225 1 603 . 1 1 69 69 GLY HA3 H 1 3.7850 0.0000 . 2 . . . . A 90 GLY HA3 . 34225 1 604 . 1 1 69 69 GLY C C 13 174.5000 0.0000 . 1 . . . . A 90 GLY C . 34225 1 605 . 1 1 69 69 GLY CA C 13 45.4300 0.0000 . 1 . . . . A 90 GLY CA . 34225 1 606 . 1 1 70 70 ALA H H 1 7.4980 0.0000 . 1 . . . . A 91 ALA H . 34225 1 607 . 1 1 70 70 ALA HA H 1 4.2900 0.0000 . 1 . . . . A 91 ALA HA . 34225 1 608 . 1 1 70 70 ALA HB1 H 1 1.4400 0.0000 . 1 . . . . A 91 ALA HB1 . 34225 1 609 . 1 1 70 70 ALA HB2 H 1 1.4400 0.0000 . 1 . . . . A 91 ALA HB2 . 34225 1 610 . 1 1 70 70 ALA HB3 H 1 1.4400 0.0000 . 1 . . . . A 91 ALA HB3 . 34225 1 611 . 1 1 70 70 ALA CA C 13 52.8700 0.0000 . 1 . . . . A 91 ALA CA . 34225 1 612 . 1 1 70 70 ALA CB C 13 20.1800 0.0000 . 1 . . . . A 91 ALA CB . 34225 1 613 . 1 1 70 70 ALA N N 15 123.0880 0.0000 . 1 . . . . A 91 ALA N . 34225 1 614 . 1 1 71 71 ARG H H 1 8.4750 0.0000 . 1 . . . . A 92 ARG H . 34225 1 615 . 1 1 71 71 ARG HA H 1 4.3130 0.0000 . 1 . . . . A 92 ARG HA . 34225 1 616 . 1 1 71 71 ARG HB2 H 1 1.5500 0.0000 . 2 . . . . A 92 ARG HB2 . 34225 1 617 . 1 1 71 71 ARG HB3 H 1 1.9300 0.0000 . 2 . . . . A 92 ARG HB3 . 34225 1 618 . 1 1 71 71 ARG HG2 H 1 1.7600 0.0000 . 2 . . . . A 92 ARG HG2 . 34225 1 619 . 1 1 71 71 ARG HG3 H 1 1.7600 0.0000 . 2 . . . . A 92 ARG HG3 . 34225 1 620 . 1 1 71 71 ARG CA C 13 57.6000 0.0000 . 1 . . . . A 92 ARG CA . 34225 1 621 . 1 1 71 71 ARG N N 15 123.2140 0.0000 . 1 . . . . A 92 ARG N . 34225 1 622 . 1 1 72 72 SER H H 1 8.2250 0.0000 . 1 . . . . A 93 SER H . 34225 1 623 . 1 1 72 72 SER HA H 1 4.6600 0.0000 . 1 . . . . A 93 SER HA . 34225 1 624 . 1 1 72 72 SER HB2 H 1 3.7670 0.0000 . 2 . . . . A 93 SER HB2 . 34225 1 625 . 1 1 72 72 SER HB3 H 1 3.7670 0.0000 . 2 . . . . A 93 SER HB3 . 34225 1 626 . 1 1 72 72 SER CA C 13 57.4300 0.0000 . 1 . . . . A 93 SER CA . 34225 1 627 . 1 1 72 72 SER CB C 13 66.6000 0.0000 . 1 . . . . A 93 SER CB . 34225 1 628 . 1 1 72 72 SER N N 15 113.2910 0.0000 . 1 . . . . A 93 SER N . 34225 1 629 . 1 1 73 73 LEU HA H 1 5.0500 0.0000 . 1 . . . . A 94 LEU HA . 34225 1 630 . 1 1 73 73 LEU HB2 H 1 1.9890 0.0000 . 2 . . . . A 94 LEU HB2 . 34225 1 631 . 1 1 73 73 LEU HB3 H 1 1.9890 0.0000 . 2 . . . . A 94 LEU HB3 . 34225 1 632 . 1 1 73 73 LEU HG H 1 1.7400 0.0000 . 1 . . . . A 94 LEU HG . 34225 1 633 . 1 1 73 73 LEU HD11 H 1 0.9200 0.0000 . 2 . . . . A 94 LEU HD11 . 34225 1 634 . 1 1 73 73 LEU HD12 H 1 0.9200 0.0000 . 2 . . . . A 94 LEU HD12 . 34225 1 635 . 1 1 73 73 LEU HD13 H 1 0.9200 0.0000 . 2 . . . . A 94 LEU HD13 . 34225 1 636 . 1 1 73 73 LEU HD21 H 1 1.1910 0.0000 . 2 . . . . A 94 LEU HD21 . 34225 1 637 . 1 1 73 73 LEU HD22 H 1 1.1910 0.0000 . 2 . . . . A 94 LEU HD22 . 34225 1 638 . 1 1 73 73 LEU HD23 H 1 1.1910 0.0000 . 2 . . . . A 94 LEU HD23 . 34225 1 639 . 1 1 73 73 LEU C C 13 176.6000 0.0000 . 1 . . . . A 94 LEU C . 34225 1 640 . 1 1 73 73 LEU CD1 C 13 27.2000 0.0000 . 1 . . . . A 94 LEU CD1 . 34225 1 641 . 1 1 73 73 LEU CD2 C 13 23.7700 0.0000 . 1 . . . . A 94 LEU CD2 . 34225 1 642 . 1 1 74 74 THR H H 1 9.3890 0.0000 . 1 . . . . A 95 THR H . 34225 1 643 . 1 1 74 74 THR HA H 1 4.9830 0.0000 . 1 . . . . A 95 THR HA . 34225 1 644 . 1 1 74 74 THR HB H 1 4.2170 0.0000 . 1 . . . . A 95 THR HB . 34225 1 645 . 1 1 74 74 THR HG21 H 1 1.3400 0.0000 . 1 . . . . A 95 THR HG21 . 34225 1 646 . 1 1 74 74 THR HG22 H 1 1.3400 0.0000 . 1 . . . . A 95 THR HG22 . 34225 1 647 . 1 1 74 74 THR HG23 H 1 1.3400 0.0000 . 1 . . . . A 95 THR HG23 . 34225 1 648 . 1 1 74 74 THR C C 13 173.1000 0.0000 . 1 . . . . A 95 THR C . 34225 1 649 . 1 1 74 74 THR CA C 13 60.1500 0.0000 . 1 . . . . A 95 THR CA . 34225 1 650 . 1 1 74 74 THR CB C 13 71.3000 0.0000 . 1 . . . . A 95 THR CB . 34225 1 651 . 1 1 74 74 THR CG2 C 13 21.3000 0.0000 . 1 . . . . A 95 THR CG2 . 34225 1 652 . 1 1 74 74 THR N N 15 119.8120 0.0000 . 1 . . . . A 95 THR N . 34225 1 653 . 1 1 75 75 PRO HA H 1 4.7350 0.0000 . 1 . . . . A 96 PRO HA . 34225 1 654 . 1 1 75 75 PRO HB2 H 1 1.8860 0.0000 . 2 . . . . A 96 PRO HB2 . 34225 1 655 . 1 1 75 75 PRO HB3 H 1 2.2610 0.0000 . 2 . . . . A 96 PRO HB3 . 34225 1 656 . 1 1 75 75 PRO HD2 H 1 3.6930 0.0000 . 2 . . . . A 96 PRO HD2 . 34225 1 657 . 1 1 75 75 PRO HD3 H 1 3.9630 0.0000 . 2 . . . . A 96 PRO HD3 . 34225 1 658 . 1 1 75 75 PRO C C 13 175.2000 0.0000 . 1 . . . . A 96 PRO C . 34225 1 659 . 1 1 75 75 PRO CA C 13 63.2000 0.0000 . 1 . . . . A 96 PRO CA . 34225 1 660 . 1 1 76 76 CYS HB2 H 1 3.1570 0.0000 . 2 . . . . A 97 CYS HB2 . 34225 1 661 . 1 1 76 76 CYS HB3 H 1 3.2260 0.0000 . 2 . . . . A 97 CYS HB3 . 34225 1 662 . 1 1 76 76 CYS CB C 13 31.3520 0.0000 . 1 . . . . A 97 CYS CB . 34225 1 663 . 1 1 79 79 GLY H H 1 8.0830 0.0000 . 1 . . . . A 100 GLY H . 34225 1 664 . 1 1 79 79 GLY HA2 H 1 3.9500 0.0000 . 2 . . . . A 100 GLY HA2 . 34225 1 665 . 1 1 79 79 GLY HA3 H 1 3.9600 0.0000 . 2 . . . . A 100 GLY HA3 . 34225 1 666 . 1 1 79 79 GLY C C 13 175.2000 0.0000 . 1 . . . . A 100 GLY C . 34225 1 667 . 1 1 79 79 GLY CA C 13 46.9000 0.0000 . 1 . . . . A 100 GLY CA . 34225 1 668 . 1 1 80 80 SER H H 1 7.8440 0.0000 . 1 . . . . A 101 SER H . 34225 1 669 . 1 1 80 80 SER HA H 1 4.3950 0.0000 . 1 . . . . A 101 SER HA . 34225 1 670 . 1 1 80 80 SER HB2 H 1 4.1630 0.0000 . 2 . . . . A 101 SER HB2 . 34225 1 671 . 1 1 80 80 SER HB3 H 1 4.1630 0.0000 . 2 . . . . A 101 SER HB3 . 34225 1 672 . 1 1 80 80 SER C C 13 176.9000 0.0000 . 1 . . . . A 101 SER C . 34225 1 673 . 1 1 80 80 SER CA C 13 59.4900 0.0000 . 1 . . . . A 101 SER CA . 34225 1 674 . 1 1 80 80 SER CB C 13 63.8000 0.0000 . 1 . . . . A 101 SER CB . 34225 1 675 . 1 1 80 80 SER N N 15 114.7180 0.0000 . 1 . . . . A 101 SER N . 34225 1 676 . 1 1 81 81 SER H H 1 8.4260 0.0000 . 1 . . . . A 102 SER H . 34225 1 677 . 1 1 81 81 SER HA H 1 4.6730 0.0000 . 1 . . . . A 102 SER HA . 34225 1 678 . 1 1 81 81 SER HB2 H 1 4.1160 0.0000 . 2 . . . . A 102 SER HB2 . 34225 1 679 . 1 1 81 81 SER HB3 H 1 4.1160 0.0000 . 2 . . . . A 102 SER HB3 . 34225 1 680 . 1 1 81 81 SER C C 13 173.5000 0.0000 . 1 . . . . A 102 SER C . 34225 1 681 . 1 1 81 81 SER CA C 13 59.4400 0.0000 . 1 . . . . A 102 SER CA . 34225 1 682 . 1 1 81 81 SER CB C 13 64.4000 0.0000 . 1 . . . . A 102 SER CB . 34225 1 683 . 1 1 81 81 SER N N 15 111.3010 0.0000 . 1 . . . . A 102 SER N . 34225 1 684 . 1 1 82 82 ASP H H 1 8.1920 0.0000 . 1 . . . . A 103 ASP H . 34225 1 685 . 1 1 82 82 ASP HA H 1 4.9240 0.0000 . 1 . . . . A 103 ASP HA . 34225 1 686 . 1 1 82 82 ASP HB2 H 1 2.7010 0.0000 . 2 . . . . A 103 ASP HB2 . 34225 1 687 . 1 1 82 82 ASP HB3 H 1 2.6600 0.0000 . 2 . . . . A 103 ASP HB3 . 34225 1 688 . 1 1 82 82 ASP C C 13 172.8000 0.0000 . 1 . . . . A 103 ASP C . 34225 1 689 . 1 1 82 82 ASP CA C 13 55.0070 0.0000 . 1 . . . . A 103 ASP CA . 34225 1 690 . 1 1 82 82 ASP CB C 13 41.5000 0.0000 . 1 . . . . A 103 ASP CB . 34225 1 691 . 1 1 82 82 ASP N N 15 124.1040 0.0000 . 1 . . . . A 103 ASP N . 34225 1 692 . 1 1 83 83 LEU H H 1 8.2390 0.0000 . 1 . . . . A 104 LEU H . 34225 1 693 . 1 1 83 83 LEU HA H 1 5.2000 0.0000 . 1 . . . . A 104 LEU HA . 34225 1 694 . 1 1 83 83 LEU HB2 H 1 1.0020 0.0000 . 2 . . . . A 104 LEU HB2 . 34225 1 695 . 1 1 83 83 LEU HB3 H 1 1.4280 0.0000 . 2 . . . . A 104 LEU HB3 . 34225 1 696 . 1 1 83 83 LEU HG H 1 1.4870 0.0000 . 1 . . . . A 104 LEU HG . 34225 1 697 . 1 1 83 83 LEU HD11 H 1 0.5100 0.0000 . 2 . . . . A 104 LEU HD11 . 34225 1 698 . 1 1 83 83 LEU HD12 H 1 0.5100 0.0000 . 2 . . . . A 104 LEU HD12 . 34225 1 699 . 1 1 83 83 LEU HD13 H 1 0.5100 0.0000 . 2 . . . . A 104 LEU HD13 . 34225 1 700 . 1 1 83 83 LEU HD21 H 1 0.7720 0.0000 . 2 . . . . A 104 LEU HD21 . 34225 1 701 . 1 1 83 83 LEU HD22 H 1 0.7720 0.0000 . 2 . . . . A 104 LEU HD22 . 34225 1 702 . 1 1 83 83 LEU HD23 H 1 0.7720 0.0000 . 2 . . . . A 104 LEU HD23 . 34225 1 703 . 1 1 83 83 LEU C C 13 176.6000 0.0000 . 1 . . . . A 104 LEU C . 34225 1 704 . 1 1 83 83 LEU CA C 13 52.0000 0.0000 . 1 . . . . A 104 LEU CA . 34225 1 705 . 1 1 83 83 LEU CB C 13 46.6300 0.0000 . 1 . . . . A 104 LEU CB . 34225 1 706 . 1 1 83 83 LEU CG C 13 26.6000 0.0000 . 1 . . . . A 104 LEU CG . 34225 1 707 . 1 1 83 83 LEU CD1 C 13 26.7000 0.0000 . 1 . . . . A 104 LEU CD1 . 34225 1 708 . 1 1 83 83 LEU CD2 C 13 24.4000 0.0000 . 1 . . . . A 104 LEU CD2 . 34225 1 709 . 1 1 83 83 LEU N N 15 120.0560 0.0000 . 1 . . . . A 104 LEU N . 34225 1 710 . 1 1 84 84 TYR H H 1 9.1080 0.0000 . 1 . . . . A 105 TYR H . 34225 1 711 . 1 1 84 84 TYR HA H 1 4.8760 0.0000 . 1 . . . . A 105 TYR HA . 34225 1 712 . 1 1 84 84 TYR HB2 H 1 2.4700 0.0000 . 2 . . . . A 105 TYR HB2 . 34225 1 713 . 1 1 84 84 TYR HB3 H 1 2.6310 0.0000 . 2 . . . . A 105 TYR HB3 . 34225 1 714 . 1 1 84 84 TYR HD1 H 1 6.6830 0.0000 . 3 . . . . A 105 TYR HD1 . 34225 1 715 . 1 1 84 84 TYR HD2 H 1 6.6830 0.0000 . 3 . . . . A 105 TYR HD2 . 34225 1 716 . 1 1 84 84 TYR C C 13 174.5000 0.0000 . 1 . . . . A 105 TYR C . 34225 1 717 . 1 1 84 84 TYR CA C 13 57.7000 0.0000 . 1 . . . . A 105 TYR CA . 34225 1 718 . 1 1 84 84 TYR CB C 13 41.4000 0.0000 . 1 . . . . A 105 TYR CB . 34225 1 719 . 1 1 84 84 TYR N N 15 118.2050 0.0000 . 1 . . . . A 105 TYR N . 34225 1 720 . 1 1 85 85 LEU H H 1 9.2070 0.0000 . 1 . . . . A 106 LEU H . 34225 1 721 . 1 1 85 85 LEU HA H 1 5.0940 0.0000 . 1 . . . . A 106 LEU HA . 34225 1 722 . 1 1 85 85 LEU HB2 H 1 1.0000 0.0000 . 2 . . . . A 106 LEU HB2 . 34225 1 723 . 1 1 85 85 LEU HB3 H 1 1.7600 0.0000 . 2 . . . . A 106 LEU HB3 . 34225 1 724 . 1 1 85 85 LEU HG H 1 1.2260 0.0000 . 1 . . . . A 106 LEU HG . 34225 1 725 . 1 1 85 85 LEU HD11 H 1 0.4780 0.0000 . 2 . . . . A 106 LEU HD11 . 34225 1 726 . 1 1 85 85 LEU HD12 H 1 0.4780 0.0000 . 2 . . . . A 106 LEU HD12 . 34225 1 727 . 1 1 85 85 LEU HD13 H 1 0.4780 0.0000 . 2 . . . . A 106 LEU HD13 . 34225 1 728 . 1 1 85 85 LEU HD21 H 1 0.2180 0.0000 . 2 . . . . A 106 LEU HD21 . 34225 1 729 . 1 1 85 85 LEU HD22 H 1 0.2180 0.0000 . 2 . . . . A 106 LEU HD22 . 34225 1 730 . 1 1 85 85 LEU HD23 H 1 0.2180 0.0000 . 2 . . . . A 106 LEU HD23 . 34225 1 731 . 1 1 85 85 LEU C C 13 175.3000 0.0000 . 1 . . . . A 106 LEU C . 34225 1 732 . 1 1 85 85 LEU CA C 13 54.2000 0.0000 . 1 . . . . A 106 LEU CA . 34225 1 733 . 1 1 85 85 LEU CB C 13 44.9000 0.0000 . 1 . . . . A 106 LEU CB . 34225 1 734 . 1 1 85 85 LEU CG C 13 27.5000 0.0000 . 1 . . . . A 106 LEU CG . 34225 1 735 . 1 1 85 85 LEU CD1 C 13 24.4400 0.0000 . 1 . . . . A 106 LEU CD1 . 34225 1 736 . 1 1 85 85 LEU CD2 C 13 25.9250 0.0000 . 1 . . . . A 106 LEU CD2 . 34225 1 737 . 1 1 85 85 LEU N N 15 126.8400 0.0000 . 1 . . . . A 106 LEU N . 34225 1 738 . 1 1 86 86 VAL H H 1 7.9030 0.0000 . 1 . . . . A 107 VAL H . 34225 1 739 . 1 1 86 86 VAL HA H 1 4.8540 0.0000 . 1 . . . . A 107 VAL HA . 34225 1 740 . 1 1 86 86 VAL HB H 1 1.9740 0.0000 . 1 . . . . A 107 VAL HB . 34225 1 741 . 1 1 86 86 VAL HG11 H 1 0.9500 0.0000 . 2 . . . . A 107 VAL HG11 . 34225 1 742 . 1 1 86 86 VAL HG12 H 1 0.9500 0.0000 . 2 . . . . A 107 VAL HG12 . 34225 1 743 . 1 1 86 86 VAL HG13 H 1 0.9500 0.0000 . 2 . . . . A 107 VAL HG13 . 34225 1 744 . 1 1 86 86 VAL HG21 H 1 0.8800 0.0000 . 2 . . . . A 107 VAL HG21 . 34225 1 745 . 1 1 86 86 VAL HG22 H 1 0.8800 0.0000 . 2 . . . . A 107 VAL HG22 . 34225 1 746 . 1 1 86 86 VAL HG23 H 1 0.8800 0.0000 . 2 . . . . A 107 VAL HG23 . 34225 1 747 . 1 1 86 86 VAL C C 13 174.6000 0.0000 . 1 . . . . A 107 VAL C . 34225 1 748 . 1 1 86 86 VAL CA C 13 62.0000 0.0000 . 1 . . . . A 107 VAL CA . 34225 1 749 . 1 1 86 86 VAL CG1 C 13 22.4000 0.0000 . 1 . . . . A 107 VAL CG1 . 34225 1 750 . 1 1 86 86 VAL N N 15 127.7600 0.0000 . 1 . . . . A 107 VAL N . 34225 1 751 . 1 1 87 87 THR H H 1 7.9390 0.0000 . 1 . . . . A 108 THR H . 34225 1 752 . 1 1 87 87 THR HA H 1 4.7500 0.0000 . 1 . . . . A 108 THR HA . 34225 1 753 . 1 1 87 87 THR HB H 1 4.7400 0.0000 . 1 . . . . A 108 THR HB . 34225 1 754 . 1 1 87 87 THR HG21 H 1 1.2720 0.0000 . 1 . . . . A 108 THR HG21 . 34225 1 755 . 1 1 87 87 THR HG22 H 1 1.2720 0.0000 . 1 . . . . A 108 THR HG22 . 34225 1 756 . 1 1 87 87 THR HG23 H 1 1.2720 0.0000 . 1 . . . . A 108 THR HG23 . 34225 1 757 . 1 1 87 87 THR C C 13 176.8000 0.0000 . 1 . . . . A 108 THR C . 34225 1 758 . 1 1 87 87 THR CA C 13 60.0400 0.0000 . 1 . . . . A 108 THR CA . 34225 1 759 . 1 1 87 87 THR CB C 13 72.5220 0.0000 . 1 . . . . A 108 THR CB . 34225 1 760 . 1 1 87 87 THR CG2 C 13 22.3220 0.0000 . 1 . . . . A 108 THR CG2 . 34225 1 761 . 1 1 87 87 THR N N 15 111.4440 0.0000 . 1 . . . . A 108 THR N . 34225 1 762 . 1 1 88 88 ARG H H 1 9.0090 0.0000 . 1 . . . . A 109 ARG H . 34225 1 763 . 1 1 88 88 ARG HA H 1 4.1250 0.0000 . 1 . . . . A 109 ARG HA . 34225 1 764 . 1 1 88 88 ARG HB2 H 1 1.5000 0.0000 . 2 . . . . A 109 ARG HB2 . 34225 1 765 . 1 1 88 88 ARG HB3 H 1 1.9000 0.0000 . 2 . . . . A 109 ARG HB3 . 34225 1 766 . 1 1 88 88 ARG HG2 H 1 1.8600 0.0000 . 2 . . . . A 109 ARG HG2 . 34225 1 767 . 1 1 88 88 ARG HG3 H 1 1.8600 0.0000 . 2 . . . . A 109 ARG HG3 . 34225 1 768 . 1 1 88 88 ARG HD2 H 1 3.0800 0.0000 . 2 . . . . A 109 ARG HD2 . 34225 1 769 . 1 1 88 88 ARG HD3 H 1 3.0800 0.0000 . 2 . . . . A 109 ARG HD3 . 34225 1 770 . 1 1 88 88 ARG CA C 13 57.8300 0.0000 . 1 . . . . A 109 ARG CA . 34225 1 771 . 1 1 88 88 ARG CB C 13 29.4900 0.0000 . 1 . . . . A 109 ARG CB . 34225 1 772 . 1 1 88 88 ARG CG C 13 27.7000 0.0000 . 1 . . . . A 109 ARG CG . 34225 1 773 . 1 1 88 88 ARG N N 15 117.1160 0.0000 . 1 . . . . A 109 ARG N . 34225 1 774 . 1 1 89 89 HIS H H 1 7.1600 0.0000 . 1 . . . . A 110 HIS H . 34225 1 775 . 1 1 89 89 HIS HA H 1 4.6580 0.0000 . 1 . . . . A 110 HIS HA . 34225 1 776 . 1 1 89 89 HIS HB2 H 1 2.8770 0.0000 . 2 . . . . A 110 HIS HB2 . 34225 1 777 . 1 1 89 89 HIS HB3 H 1 3.4500 0.0000 . 2 . . . . A 110 HIS HB3 . 34225 1 778 . 1 1 89 89 HIS HD2 H 1 6.6700 0.0000 . 1 . . . . A 110 HIS HD2 . 34225 1 779 . 1 1 89 89 HIS HE1 H 1 7.6900 0.0000 . 1 . . . . A 110 HIS HE1 . 34225 1 780 . 1 1 89 89 HIS C C 13 175.0000 0.0000 . 1 . . . . A 110 HIS C . 34225 1 781 . 1 1 89 89 HIS CA C 13 55.0520 0.0000 . 1 . . . . A 110 HIS CA . 34225 1 782 . 1 1 89 89 HIS CB C 13 30.4700 0.0000 . 1 . . . . A 110 HIS CB . 34225 1 783 . 1 1 89 89 HIS CD2 C 13 116.8000 0.0000 . 1 . . . . A 110 HIS CD2 . 34225 1 784 . 1 1 89 89 HIS CE1 C 13 138.1000 0.0000 . 1 . . . . A 110 HIS CE1 . 34225 1 785 . 1 1 89 89 HIS N N 15 116.2500 0.0000 . 1 . . . . A 110 HIS N . 34225 1 786 . 1 1 89 89 HIS ND1 N 15 226.0000 0.0000 . 1 . . . . A 110 HIS ND1 . 34225 1 787 . 1 1 89 89 HIS NE2 N 15 171.0000 0.0000 . 1 . . . . A 110 HIS NE2 . 34225 1 788 . 1 1 90 90 ALA H H 1 8.4750 0.0000 . 1 . . . . A 111 ALA H . 34225 1 789 . 1 1 90 90 ALA HA H 1 3.7340 0.0000 . 1 . . . . A 111 ALA HA . 34225 1 790 . 1 1 90 90 ALA HB1 H 1 1.6090 0.0000 . 1 . . . . A 111 ALA HB1 . 34225 1 791 . 1 1 90 90 ALA HB2 H 1 1.6090 0.0000 . 1 . . . . A 111 ALA HB2 . 34225 1 792 . 1 1 90 90 ALA HB3 H 1 1.6090 0.0000 . 1 . . . . A 111 ALA HB3 . 34225 1 793 . 1 1 90 90 ALA C C 13 175.4000 0.0000 . 1 . . . . A 111 ALA C . 34225 1 794 . 1 1 90 90 ALA CA C 13 53.7600 0.0000 . 1 . . . . A 111 ALA CA . 34225 1 795 . 1 1 90 90 ALA CB C 13 17.3100 0.0000 . 1 . . . . A 111 ALA CB . 34225 1 796 . 1 1 90 90 ALA N N 15 118.2940 0.0000 . 1 . . . . A 111 ALA N . 34225 1 797 . 1 1 91 91 ASP H H 1 7.2190 0.0000 . 1 . . . . A 112 ASP H . 34225 1 798 . 1 1 91 91 ASP HA H 1 4.8900 0.0000 . 1 . . . . A 112 ASP HA . 34225 1 799 . 1 1 91 91 ASP HB2 H 1 2.7400 0.0000 . 2 . . . . A 112 ASP HB2 . 34225 1 800 . 1 1 91 91 ASP HB3 H 1 2.7400 0.0000 . 2 . . . . A 112 ASP HB3 . 34225 1 801 . 1 1 91 91 ASP CA C 13 53.9000 0.0000 . 1 . . . . A 112 ASP CA . 34225 1 802 . 1 1 91 91 ASP CB C 13 42.4600 0.0000 . 1 . . . . A 112 ASP CB . 34225 1 803 . 1 1 91 91 ASP N N 15 115.4700 0.0000 . 1 . . . . A 112 ASP N . 34225 1 804 . 1 1 92 92 VAL H H 1 8.3220 0.0000 . 1 . . . . A 113 VAL H . 34225 1 805 . 1 1 93 93 ILE HD11 H 1 0.9180 0.0000 . 1 . . . . A 114 ILE HD11 . 34225 1 806 . 1 1 93 93 ILE HD12 H 1 0.9180 0.0000 . 1 . . . . A 114 ILE HD12 . 34225 1 807 . 1 1 93 93 ILE HD13 H 1 0.9180 0.0000 . 1 . . . . A 114 ILE HD13 . 34225 1 808 . 1 1 94 94 PRO HA H 1 4.6900 0.0000 . 1 . . . . A 115 PRO HA . 34225 1 809 . 1 1 94 94 PRO HB2 H 1 2.3170 0.0000 . 2 . . . . A 115 PRO HB2 . 34225 1 810 . 1 1 94 94 PRO HB3 H 1 2.0150 0.0000 . 2 . . . . A 115 PRO HB3 . 34225 1 811 . 1 1 94 94 PRO HG2 H 1 2.0890 0.0000 . 2 . . . . A 115 PRO HG2 . 34225 1 812 . 1 1 94 94 PRO HG3 H 1 2.1660 0.0000 . 2 . . . . A 115 PRO HG3 . 34225 1 813 . 1 1 94 94 PRO HD2 H 1 3.8460 0.0000 . 2 . . . . A 115 PRO HD2 . 34225 1 814 . 1 1 94 94 PRO HD3 H 1 3.8460 0.0000 . 2 . . . . A 115 PRO HD3 . 34225 1 815 . 1 1 94 94 PRO C C 13 176.0000 0.0000 . 1 . . . . A 115 PRO C . 34225 1 816 . 1 1 94 94 PRO CA C 13 63.6000 0.0000 . 1 . . . . A 115 PRO CA . 34225 1 817 . 1 1 94 94 PRO CB C 13 33.0920 0.0000 . 1 . . . . A 115 PRO CB . 34225 1 818 . 1 1 94 94 PRO CG C 13 27.7700 0.0000 . 1 . . . . A 115 PRO CG . 34225 1 819 . 1 1 94 94 PRO CD C 13 49.9800 0.0000 . 1 . . . . A 115 PRO CD . 34225 1 820 . 1 1 95 95 VAL H H 1 8.5610 0.0000 . 1 . . . . A 116 VAL H . 34225 1 821 . 1 1 95 95 VAL HA H 1 4.6390 0.0000 . 1 . . . . A 116 VAL HA . 34225 1 822 . 1 1 95 95 VAL HB H 1 1.4260 0.0000 . 1 . . . . A 116 VAL HB . 34225 1 823 . 1 1 95 95 VAL HG11 H 1 0.5700 0.0000 . 2 . . . . A 116 VAL HG11 . 34225 1 824 . 1 1 95 95 VAL HG12 H 1 0.5700 0.0000 . 2 . . . . A 116 VAL HG12 . 34225 1 825 . 1 1 95 95 VAL HG13 H 1 0.5700 0.0000 . 2 . . . . A 116 VAL HG13 . 34225 1 826 . 1 1 95 95 VAL HG21 H 1 0.7300 0.0000 . 2 . . . . A 116 VAL HG21 . 34225 1 827 . 1 1 95 95 VAL HG22 H 1 0.7300 0.0000 . 2 . . . . A 116 VAL HG22 . 34225 1 828 . 1 1 95 95 VAL HG23 H 1 0.7300 0.0000 . 2 . . . . A 116 VAL HG23 . 34225 1 829 . 1 1 95 95 VAL C C 13 174.0000 0.0000 . 1 . . . . A 116 VAL C . 34225 1 830 . 1 1 95 95 VAL CA C 13 60.1700 0.0000 . 1 . . . . A 116 VAL CA . 34225 1 831 . 1 1 95 95 VAL CB C 13 36.9000 0.0000 . 1 . . . . A 116 VAL CB . 34225 1 832 . 1 1 95 95 VAL CG1 C 13 22.2690 0.0000 . 1 . . . . A 116 VAL CG1 . 34225 1 833 . 1 1 95 95 VAL CG2 C 13 22.4000 0.0000 . 1 . . . . A 116 VAL CG2 . 34225 1 834 . 1 1 95 95 VAL N N 15 123.7260 0.0000 . 1 . . . . A 116 VAL N . 34225 1 835 . 1 1 96 96 ARG H H 1 8.8870 0.0000 . 1 . . . . A 117 ARG H . 34225 1 836 . 1 1 96 96 ARG HA H 1 5.2400 0.0000 . 1 . . . . A 117 ARG HA . 34225 1 837 . 1 1 96 96 ARG HB2 H 1 1.7900 0.0000 . 2 . . . . A 117 ARG HB2 . 34225 1 838 . 1 1 96 96 ARG HB3 H 1 1.9310 0.0000 . 2 . . . . A 117 ARG HB3 . 34225 1 839 . 1 1 96 96 ARG HG2 H 1 1.7110 0.0000 . 2 . . . . A 117 ARG HG2 . 34225 1 840 . 1 1 96 96 ARG HG3 H 1 1.7110 0.0000 . 2 . . . . A 117 ARG HG3 . 34225 1 841 . 1 1 96 96 ARG HD2 H 1 3.3040 0.0000 . 2 . . . . A 117 ARG HD2 . 34225 1 842 . 1 1 96 96 ARG HD3 H 1 3.3040 0.0000 . 2 . . . . A 117 ARG HD3 . 34225 1 843 . 1 1 96 96 ARG C C 13 176.4000 0.0000 . 1 . . . . A 117 ARG C . 34225 1 844 . 1 1 96 96 ARG CA C 13 53.4400 0.0000 . 1 . . . . A 117 ARG CA . 34225 1 845 . 1 1 96 96 ARG CB C 13 31.6000 0.0000 . 1 . . . . A 117 ARG CB . 34225 1 846 . 1 1 96 96 ARG CG C 13 27.0400 0.0000 . 1 . . . . A 117 ARG CG . 34225 1 847 . 1 1 96 96 ARG CD C 13 43.1000 0.0000 . 1 . . . . A 117 ARG CD . 34225 1 848 . 1 1 96 96 ARG N N 15 127.0910 0.0000 . 1 . . . . A 117 ARG N . 34225 1 849 . 1 1 97 97 ARG H H 1 9.5880 0.0000 . 1 . . . . A 118 ARG H . 34225 1 850 . 1 1 97 97 ARG HA H 1 4.1940 0.0000 . 1 . . . . A 118 ARG HA . 34225 1 851 . 1 1 97 97 ARG HB2 H 1 1.7700 0.0000 . 2 . . . . A 118 ARG HB2 . 34225 1 852 . 1 1 97 97 ARG HB3 H 1 2.1500 0.0000 . 2 . . . . A 118 ARG HB3 . 34225 1 853 . 1 1 97 97 ARG HG2 H 1 1.8350 0.0000 . 2 . . . . A 118 ARG HG2 . 34225 1 854 . 1 1 97 97 ARG HG3 H 1 1.8350 0.0000 . 2 . . . . A 118 ARG HG3 . 34225 1 855 . 1 1 97 97 ARG HD2 H 1 3.5000 0.0000 . 2 . . . . A 118 ARG HD2 . 34225 1 856 . 1 1 97 97 ARG HD3 H 1 3.2740 0.0000 . 2 . . . . A 118 ARG HD3 . 34225 1 857 . 1 1 97 97 ARG C C 13 175.7000 0.0000 . 1 . . . . A 118 ARG C . 34225 1 858 . 1 1 97 97 ARG CA C 13 59.9500 0.0000 . 1 . . . . A 118 ARG CA . 34225 1 859 . 1 1 97 97 ARG CB C 13 32.7700 0.0000 . 1 . . . . A 118 ARG CB . 34225 1 860 . 1 1 97 97 ARG CD C 13 44.8700 0.0000 . 1 . . . . A 118 ARG CD . 34225 1 861 . 1 1 97 97 ARG N N 15 129.8700 0.0000 . 1 . . . . A 118 ARG N . 34225 1 862 . 1 1 98 98 ARG H H 1 9.1360 0.0000 . 1 . . . . A 119 ARG H . 34225 1 863 . 1 1 98 98 ARG HA H 1 4.7900 0.0000 . 1 . . . . A 119 ARG HA . 34225 1 864 . 1 1 98 98 ARG HB2 H 1 1.6190 0.0000 . 2 . . . . A 119 ARG HB2 . 34225 1 865 . 1 1 98 98 ARG HB3 H 1 2.0500 0.0000 . 2 . . . . A 119 ARG HB3 . 34225 1 866 . 1 1 98 98 ARG HG2 H 1 1.8450 0.0000 . 2 . . . . A 119 ARG HG2 . 34225 1 867 . 1 1 98 98 ARG HG3 H 1 1.8450 0.0000 . 2 . . . . A 119 ARG HG3 . 34225 1 868 . 1 1 98 98 ARG HD2 H 1 3.2900 0.0000 . 2 . . . . A 119 ARG HD2 . 34225 1 869 . 1 1 98 98 ARG HD3 H 1 3.2900 0.0000 . 2 . . . . A 119 ARG HD3 . 34225 1 870 . 1 1 98 98 ARG C C 13 175.2000 0.0000 . 1 . . . . A 119 ARG C . 34225 1 871 . 1 1 98 98 ARG CA C 13 54.7300 0.0000 . 1 . . . . A 119 ARG CA . 34225 1 872 . 1 1 98 98 ARG CB C 13 32.2000 0.0000 . 1 . . . . A 119 ARG CB . 34225 1 873 . 1 1 98 98 ARG CG C 13 26.5000 0.0000 . 1 . . . . A 119 ARG CG . 34225 1 874 . 1 1 98 98 ARG CD C 13 43.1700 0.0000 . 1 . . . . A 119 ARG CD . 34225 1 875 . 1 1 98 98 ARG N N 15 127.3330 0.0000 . 1 . . . . A 119 ARG N . 34225 1 876 . 1 1 99 99 GLY H H 1 8.2050 0.0000 . 1 . . . . A 120 GLY H . 34225 1 877 . 1 1 99 99 GLY HA2 H 1 4.1500 0.0000 . 2 . . . . A 120 GLY HA2 . 34225 1 878 . 1 1 99 99 GLY HA3 H 1 4.2810 0.0000 . 2 . . . . A 120 GLY HA3 . 34225 1 879 . 1 1 99 99 GLY C C 13 173.3000 0.0000 . 1 . . . . A 120 GLY C . 34225 1 880 . 1 1 99 99 GLY CA C 13 44.9500 0.0000 . 1 . . . . A 120 GLY CA . 34225 1 881 . 1 1 99 99 GLY N N 15 109.8080 0.0000 . 1 . . . . A 120 GLY N . 34225 1 882 . 1 1 100 100 ASP H H 1 8.3000 0.0000 . 1 . . . . A 121 ASP H . 34225 1 883 . 1 1 100 100 ASP HA H 1 4.4900 0.0000 . 1 . . . . A 121 ASP HA . 34225 1 884 . 1 1 100 100 ASP HB2 H 1 2.7500 0.0000 . 2 . . . . A 121 ASP HB2 . 34225 1 885 . 1 1 100 100 ASP HB3 H 1 2.7500 0.0000 . 2 . . . . A 121 ASP HB3 . 34225 1 886 . 1 1 100 100 ASP C C 13 177.0000 0.0000 . 1 . . . . A 121 ASP C . 34225 1 887 . 1 1 100 100 ASP CA C 13 57.5000 0.0000 . 1 . . . . A 121 ASP CA . 34225 1 888 . 1 1 100 100 ASP CB C 13 41.3000 0.0000 . 1 . . . . A 121 ASP CB . 34225 1 889 . 1 1 101 101 SER H H 1 8.1770 0.0000 . 1 . . . . A 122 SER H . 34225 1 890 . 1 1 101 101 SER HA H 1 3.7000 0.0000 . 1 . . . . A 122 SER HA . 34225 1 891 . 1 1 101 101 SER HB2 H 1 3.5100 0.0000 . 2 . . . . A 122 SER HB2 . 34225 1 892 . 1 1 101 101 SER HB3 H 1 4.5070 0.0000 . 2 . . . . A 122 SER HB3 . 34225 1 893 . 1 1 101 101 SER C C 13 172.7000 0.0000 . 1 . . . . A 122 SER C . 34225 1 894 . 1 1 101 101 SER CA C 13 56.7000 0.0000 . 1 . . . . A 122 SER CA . 34225 1 895 . 1 1 101 101 SER CB C 13 65.3000 0.0000 . 1 . . . . A 122 SER CB . 34225 1 896 . 1 1 101 101 SER N N 15 108.7940 0.0000 . 1 . . . . A 122 SER N . 34225 1 897 . 1 1 102 102 ARG H H 1 6.5930 0.0000 . 1 . . . . A 123 ARG H . 34225 1 898 . 1 1 102 102 ARG HA H 1 5.6460 0.0000 . 1 . . . . A 123 ARG HA . 34225 1 899 . 1 1 102 102 ARG HB2 H 1 1.6500 0.0000 . 2 . . . . A 123 ARG HB2 . 34225 1 900 . 1 1 102 102 ARG HB3 H 1 1.7500 0.0000 . 2 . . . . A 123 ARG HB3 . 34225 1 901 . 1 1 102 102 ARG HG2 H 1 1.5800 0.0000 . 2 . . . . A 123 ARG HG2 . 34225 1 902 . 1 1 102 102 ARG HG3 H 1 1.5800 0.0000 . 2 . . . . A 123 ARG HG3 . 34225 1 903 . 1 1 102 102 ARG HD2 H 1 3.4030 0.0000 . 2 . . . . A 123 ARG HD2 . 34225 1 904 . 1 1 102 102 ARG HD3 H 1 3.2160 0.0000 . 2 . . . . A 123 ARG HD3 . 34225 1 905 . 1 1 102 102 ARG C C 13 176.4000 0.0000 . 1 . . . . A 123 ARG C . 34225 1 906 . 1 1 102 102 ARG CA C 13 53.2100 0.0000 . 1 . . . . A 123 ARG CA . 34225 1 907 . 1 1 102 102 ARG CB C 13 34.9800 0.0000 . 1 . . . . A 123 ARG CB . 34225 1 908 . 1 1 102 102 ARG CD C 13 42.5000 0.0000 . 1 . . . . A 123 ARG CD . 34225 1 909 . 1 1 102 102 ARG N N 15 118.1780 0.0000 . 1 . . . . A 123 ARG N . 34225 1 910 . 1 1 103 103 GLY H H 1 9.0140 0.0000 . 1 . . . . A 124 GLY H . 34225 1 911 . 1 1 103 103 GLY HA2 H 1 5.0450 0.0000 . 2 . . . . A 124 GLY HA2 . 34225 1 912 . 1 1 103 103 GLY HA3 H 1 3.3700 0.0000 . 2 . . . . A 124 GLY HA3 . 34225 1 913 . 1 1 103 103 GLY C C 13 172.0000 0.0000 . 1 . . . . A 124 GLY C . 34225 1 914 . 1 1 103 103 GLY CA C 13 45.7600 0.0000 . 1 . . . . A 124 GLY CA . 34225 1 915 . 1 1 103 103 GLY N N 15 108.7360 0.0000 . 1 . . . . A 124 GLY N . 34225 1 916 . 1 1 104 104 SER H H 1 9.5600 0.0000 . 1 . . . . A 125 SER H . 34225 1 917 . 1 1 104 104 SER HA H 1 4.7900 0.0000 . 1 . . . . A 125 SER HA . 34225 1 918 . 1 1 104 104 SER HB2 H 1 4.0900 0.0000 . 2 . . . . A 125 SER HB2 . 34225 1 919 . 1 1 104 104 SER HB3 H 1 3.9680 0.0000 . 2 . . . . A 125 SER HB3 . 34225 1 920 . 1 1 104 104 SER C C 13 174.8000 0.0000 . 1 . . . . A 125 SER C . 34225 1 921 . 1 1 104 104 SER CA C 13 58.6800 0.0000 . 1 . . . . A 125 SER CA . 34225 1 922 . 1 1 104 104 SER CB C 13 64.5370 0.0000 . 1 . . . . A 125 SER CB . 34225 1 923 . 1 1 104 104 SER N N 15 120.6890 0.0000 . 1 . . . . A 125 SER N . 34225 1 924 . 1 1 105 105 LEU H H 1 8.1800 0.0000 . 1 . . . . A 126 LEU H . 34225 1 925 . 1 1 105 105 LEU HA H 1 4.4670 0.0000 . 1 . . . . A 126 LEU HA . 34225 1 926 . 1 1 105 105 LEU HB2 H 1 1.4060 0.0000 . 2 . . . . A 126 LEU HB2 . 34225 1 927 . 1 1 105 105 LEU HB3 H 1 1.6200 0.0000 . 2 . . . . A 126 LEU HB3 . 34225 1 928 . 1 1 105 105 LEU HG H 1 1.4200 0.0000 . 1 . . . . A 126 LEU HG . 34225 1 929 . 1 1 105 105 LEU HD11 H 1 0.8500 0.0000 . 2 . . . . A 126 LEU HD11 . 34225 1 930 . 1 1 105 105 LEU HD12 H 1 0.8500 0.0000 . 2 . . . . A 126 LEU HD12 . 34225 1 931 . 1 1 105 105 LEU HD13 H 1 0.8500 0.0000 . 2 . . . . A 126 LEU HD13 . 34225 1 932 . 1 1 105 105 LEU HD21 H 1 0.7890 0.0000 . 2 . . . . A 126 LEU HD21 . 34225 1 933 . 1 1 105 105 LEU HD22 H 1 0.7890 0.0000 . 2 . . . . A 126 LEU HD22 . 34225 1 934 . 1 1 105 105 LEU HD23 H 1 0.7890 0.0000 . 2 . . . . A 126 LEU HD23 . 34225 1 935 . 1 1 105 105 LEU C C 13 177.5000 0.0000 . 1 . . . . A 126 LEU C . 34225 1 936 . 1 1 105 105 LEU CA C 13 55.7800 0.0000 . 1 . . . . A 126 LEU CA . 34225 1 937 . 1 1 105 105 LEU CB C 13 41.9700 0.0000 . 1 . . . . A 126 LEU CB . 34225 1 938 . 1 1 105 105 LEU CG C 13 28.9280 0.0000 . 1 . . . . A 126 LEU CG . 34225 1 939 . 1 1 105 105 LEU CD1 C 13 24.8700 0.0000 . 1 . . . . A 126 LEU CD1 . 34225 1 940 . 1 1 105 105 LEU CD2 C 13 25.8980 0.0000 . 1 . . . . A 126 LEU CD2 . 34225 1 941 . 1 1 105 105 LEU N N 15 124.7850 0.0000 . 1 . . . . A 126 LEU N . 34225 1 942 . 1 1 106 106 LEU H H 1 8.1450 0.0000 . 1 . . . . A 127 LEU H . 34225 1 943 . 1 1 106 106 LEU HA H 1 4.2160 0.0000 . 1 . . . . A 127 LEU HA . 34225 1 944 . 1 1 106 106 LEU HB2 H 1 1.7100 0.0000 . 2 . . . . A 127 LEU HB2 . 34225 1 945 . 1 1 106 106 LEU HB3 H 1 1.7680 0.0000 . 2 . . . . A 127 LEU HB3 . 34225 1 946 . 1 1 106 106 LEU HG H 1 1.6870 0.0000 . 1 . . . . A 127 LEU HG . 34225 1 947 . 1 1 106 106 LEU HD11 H 1 0.9510 0.0000 . 2 . . . . A 127 LEU HD11 . 34225 1 948 . 1 1 106 106 LEU HD12 H 1 0.9510 0.0000 . 2 . . . . A 127 LEU HD12 . 34225 1 949 . 1 1 106 106 LEU HD13 H 1 0.9510 0.0000 . 2 . . . . A 127 LEU HD13 . 34225 1 950 . 1 1 106 106 LEU HD21 H 1 0.9100 0.0000 . 2 . . . . A 127 LEU HD21 . 34225 1 951 . 1 1 106 106 LEU HD22 H 1 0.9100 0.0000 . 2 . . . . A 127 LEU HD22 . 34225 1 952 . 1 1 106 106 LEU HD23 H 1 0.9100 0.0000 . 2 . . . . A 127 LEU HD23 . 34225 1 953 . 1 1 106 106 LEU C C 13 178.0000 0.0000 . 1 . . . . A 127 LEU C . 34225 1 954 . 1 1 106 106 LEU CA C 13 57.7400 0.0000 . 1 . . . . A 127 LEU CA . 34225 1 955 . 1 1 106 106 LEU CB C 13 41.1090 0.0000 . 1 . . . . A 127 LEU CB . 34225 1 956 . 1 1 106 106 LEU CG C 13 28.6400 0.0000 . 1 . . . . A 127 LEU CG . 34225 1 957 . 1 1 106 106 LEU CD1 C 13 24.9500 0.0000 . 1 . . . . A 127 LEU CD1 . 34225 1 958 . 1 1 106 106 LEU CD2 C 13 23.6950 0.0000 . 1 . . . . A 127 LEU CD2 . 34225 1 959 . 1 1 106 106 LEU N N 15 125.0070 0.0000 . 1 . . . . A 127 LEU N . 34225 1 960 . 1 1 107 107 SER H H 1 7.5830 0.0000 . 1 . . . . A 128 SER H . 34225 1 961 . 1 1 107 107 SER HA H 1 4.9790 0.0000 . 1 . . . . A 128 SER HA . 34225 1 962 . 1 1 107 107 SER HB2 H 1 3.8090 0.0000 . 2 . . . . A 128 SER HB2 . 34225 1 963 . 1 1 107 107 SER HB3 H 1 3.9070 0.0000 . 2 . . . . A 128 SER HB3 . 34225 1 964 . 1 1 107 107 SER C C 13 171.5000 0.0000 . 1 . . . . A 128 SER C . 34225 1 965 . 1 1 107 107 SER CA C 13 55.2000 0.0000 . 1 . . . . A 128 SER CA . 34225 1 966 . 1 1 107 107 SER CB C 13 64.2200 0.0000 . 1 . . . . A 128 SER CB . 34225 1 967 . 1 1 107 107 SER N N 15 112.5090 0.0000 . 1 . . . . A 128 SER N . 34225 1 968 . 1 1 108 108 PRO HA H 1 4.6320 0.0000 . 1 . . . . A 129 PRO HA . 34225 1 969 . 1 1 108 108 PRO HB2 H 1 2.3160 0.0000 . 2 . . . . A 129 PRO HB2 . 34225 1 970 . 1 1 108 108 PRO HB3 H 1 1.8350 0.0000 . 2 . . . . A 129 PRO HB3 . 34225 1 971 . 1 1 108 108 PRO HG2 H 1 2.1740 0.0000 . 2 . . . . A 129 PRO HG2 . 34225 1 972 . 1 1 108 108 PRO HG3 H 1 2.1740 0.0000 . 2 . . . . A 129 PRO HG3 . 34225 1 973 . 1 1 108 108 PRO HD2 H 1 3.8230 0.0000 . 2 . . . . A 129 PRO HD2 . 34225 1 974 . 1 1 108 108 PRO HD3 H 1 4.3950 0.0000 . 2 . . . . A 129 PRO HD3 . 34225 1 975 . 1 1 108 108 PRO C C 13 176.4000 0.0000 . 1 . . . . A 129 PRO C . 34225 1 976 . 1 1 108 108 PRO CA C 13 63.8000 0.0000 . 1 . . . . A 129 PRO CA . 34225 1 977 . 1 1 108 108 PRO CB C 13 33.3000 0.0000 . 1 . . . . A 129 PRO CB . 34225 1 978 . 1 1 108 108 PRO CG C 13 27.9000 0.0000 . 1 . . . . A 129 PRO CG . 34225 1 979 . 1 1 108 108 PRO CD C 13 51.7000 0.0000 . 1 . . . . A 129 PRO CD . 34225 1 980 . 1 1 109 109 ARG H H 1 7.9000 0.0000 . 1 . . . . A 130 ARG H . 34225 1 981 . 1 1 109 109 ARG HA H 1 5.1180 0.0000 . 1 . . . . A 130 ARG HA . 34225 1 982 . 1 1 109 109 ARG HB2 H 1 1.8350 0.0000 . 2 . . . . A 130 ARG HB2 . 34225 1 983 . 1 1 109 109 ARG HB3 H 1 1.6160 0.0000 . 2 . . . . A 130 ARG HB3 . 34225 1 984 . 1 1 109 109 ARG HG2 H 1 1.4060 0.0000 . 2 . . . . A 130 ARG HG2 . 34225 1 985 . 1 1 109 109 ARG HG3 H 1 1.4060 0.0000 . 2 . . . . A 130 ARG HG3 . 34225 1 986 . 1 1 109 109 ARG HD2 H 1 3.1660 0.0000 . 2 . . . . A 130 ARG HD2 . 34225 1 987 . 1 1 109 109 ARG HD3 H 1 2.8140 0.0000 . 2 . . . . A 130 ARG HD3 . 34225 1 988 . 1 1 109 109 ARG CA C 13 51.7000 0.0000 . 1 . . . . A 130 ARG CA . 34225 1 989 . 1 1 109 109 ARG CD C 13 43.1600 0.0000 . 1 . . . . A 130 ARG CD . 34225 1 990 . 1 1 109 109 ARG N N 15 118.3990 0.0000 . 1 . . . . A 130 ARG N . 34225 1 991 . 1 1 110 110 PRO HA H 1 4.8760 0.0000 . 1 . . . . A 131 PRO HA . 34225 1 992 . 1 1 110 110 PRO HB2 H 1 2.1790 0.0000 . 2 . . . . A 131 PRO HB2 . 34225 1 993 . 1 1 110 110 PRO HB3 H 1 2.6560 0.0000 . 2 . . . . A 131 PRO HB3 . 34225 1 994 . 1 1 110 110 PRO HD2 H 1 4.4100 0.0000 . 2 . . . . A 131 PRO HD2 . 34225 1 995 . 1 1 110 110 PRO HD3 H 1 4.4100 0.0000 . 2 . . . . A 131 PRO HD3 . 34225 1 996 . 1 1 110 110 PRO C C 13 178.4000 0.0000 . 1 . . . . A 131 PRO C . 34225 1 997 . 1 1 110 110 PRO CA C 13 63.4800 0.0000 . 1 . . . . A 131 PRO CA . 34225 1 998 . 1 1 110 110 PRO CB C 13 32.3500 0.0000 . 1 . . . . A 131 PRO CB . 34225 1 999 . 1 1 111 111 VAL H H 1 8.5030 0.0000 . 1 . . . . A 132 VAL H . 34225 1 1000 . 1 1 111 111 VAL HA H 1 3.7450 0.0000 . 1 . . . . A 132 VAL HA . 34225 1 1001 . 1 1 111 111 VAL HB H 1 2.1350 0.0000 . 1 . . . . A 132 VAL HB . 34225 1 1002 . 1 1 111 111 VAL HG11 H 1 1.1670 0.0000 . 2 . . . . A 132 VAL HG11 . 34225 1 1003 . 1 1 111 111 VAL HG12 H 1 1.1670 0.0000 . 2 . . . . A 132 VAL HG12 . 34225 1 1004 . 1 1 111 111 VAL HG13 H 1 1.1670 0.0000 . 2 . . . . A 132 VAL HG13 . 34225 1 1005 . 1 1 111 111 VAL HG21 H 1 1.1860 0.0000 . 2 . . . . A 132 VAL HG21 . 34225 1 1006 . 1 1 111 111 VAL HG22 H 1 1.1860 0.0000 . 2 . . . . A 132 VAL HG22 . 34225 1 1007 . 1 1 111 111 VAL HG23 H 1 1.1860 0.0000 . 2 . . . . A 132 VAL HG23 . 34225 1 1008 . 1 1 111 111 VAL C C 13 177.6000 0.0000 . 1 . . . . A 132 VAL C . 34225 1 1009 . 1 1 111 111 VAL CA C 13 67.1000 0.0000 . 1 . . . . A 132 VAL CA . 34225 1 1010 . 1 1 111 111 VAL CB C 13 32.3410 0.0000 . 1 . . . . A 132 VAL CB . 34225 1 1011 . 1 1 111 111 VAL CG1 C 13 20.8530 0.0000 . 1 . . . . A 132 VAL CG1 . 34225 1 1012 . 1 1 111 111 VAL CG2 C 13 24.6660 0.0000 . 1 . . . . A 132 VAL CG2 . 34225 1 1013 . 1 1 111 111 VAL N N 15 124.7660 0.0000 . 1 . . . . A 132 VAL N . 34225 1 1014 . 1 1 112 112 SER H H 1 8.5630 0.0000 . 1 . . . . A 133 SER H . 34225 1 1015 . 1 1 112 112 SER HA H 1 4.2010 0.0000 . 1 . . . . A 133 SER HA . 34225 1 1016 . 1 1 112 112 SER HB2 H 1 4.1200 0.0000 . 2 . . . . A 133 SER HB2 . 34225 1 1017 . 1 1 112 112 SER HB3 H 1 4.1200 0.0000 . 2 . . . . A 133 SER HB3 . 34225 1 1018 . 1 1 112 112 SER C C 13 176.3000 0.0000 . 1 . . . . A 133 SER C . 34225 1 1019 . 1 1 112 112 SER CA C 13 61.2560 0.0000 . 1 . . . . A 133 SER CA . 34225 1 1020 . 1 1 112 112 SER CB C 13 62.6830 0.0000 . 1 . . . . A 133 SER CB . 34225 1 1021 . 1 1 112 112 SER N N 15 114.1270 0.0000 . 1 . . . . A 133 SER N . 34225 1 1022 . 1 1 113 113 TYR H H 1 7.8130 0.0000 . 1 . . . . A 134 TYR H . 34225 1 1023 . 1 1 113 113 TYR HA H 1 4.5680 0.0000 . 1 . . . . A 134 TYR HA . 34225 1 1024 . 1 1 113 113 TYR HB2 H 1 3.3800 0.0000 . 2 . . . . A 134 TYR HB2 . 34225 1 1025 . 1 1 113 113 TYR HB3 H 1 3.1660 0.0000 . 2 . . . . A 134 TYR HB3 . 34225 1 1026 . 1 1 113 113 TYR HD1 H 1 7.0530 0.0000 . 3 . . . . A 134 TYR HD1 . 34225 1 1027 . 1 1 113 113 TYR HD2 H 1 7.1500 0.0000 . 3 . . . . A 134 TYR HD2 . 34225 1 1028 . 1 1 113 113 TYR HE1 H 1 6.7280 0.0000 . 3 . . . . A 134 TYR HE1 . 34225 1 1029 . 1 1 113 113 TYR HE2 H 1 6.7280 0.0000 . 3 . . . . A 134 TYR HE2 . 34225 1 1030 . 1 1 113 113 TYR C C 13 177.0000 0.0000 . 1 . . . . A 134 TYR C . 34225 1 1031 . 1 1 113 113 TYR CA C 13 60.9900 0.0000 . 1 . . . . A 134 TYR CA . 34225 1 1032 . 1 1 113 113 TYR CB C 13 39.7000 0.0000 . 1 . . . . A 134 TYR CB . 34225 1 1033 . 1 1 113 113 TYR N N 15 121.6680 0.0000 . 1 . . . . A 134 TYR N . 34225 1 1034 . 1 1 114 114 LEU H H 1 7.5530 0.0000 . 1 . . . . A 135 LEU H . 34225 1 1035 . 1 1 114 114 LEU HA H 1 4.3700 0.0000 . 1 . . . . A 135 LEU HA . 34225 1 1036 . 1 1 114 114 LEU HB2 H 1 2.0280 0.0000 . 2 . . . . A 135 LEU HB2 . 34225 1 1037 . 1 1 114 114 LEU HB3 H 1 2.0280 0.0000 . 2 . . . . A 135 LEU HB3 . 34225 1 1038 . 1 1 114 114 LEU HG H 1 1.6400 0.0000 . 1 . . . . A 135 LEU HG . 34225 1 1039 . 1 1 114 114 LEU HD11 H 1 0.9290 0.0000 . 2 . . . . A 135 LEU HD11 . 34225 1 1040 . 1 1 114 114 LEU HD12 H 1 0.9290 0.0000 . 2 . . . . A 135 LEU HD12 . 34225 1 1041 . 1 1 114 114 LEU HD13 H 1 0.9290 0.0000 . 2 . . . . A 135 LEU HD13 . 34225 1 1042 . 1 1 114 114 LEU HD21 H 1 0.8600 0.0000 . 2 . . . . A 135 LEU HD21 . 34225 1 1043 . 1 1 114 114 LEU HD22 H 1 0.8600 0.0000 . 2 . . . . A 135 LEU HD22 . 34225 1 1044 . 1 1 114 114 LEU HD23 H 1 0.8600 0.0000 . 2 . . . . A 135 LEU HD23 . 34225 1 1045 . 1 1 114 114 LEU C C 13 176.2000 0.0000 . 1 . . . . A 135 LEU C . 34225 1 1046 . 1 1 114 114 LEU CA C 13 55.7520 0.0000 . 1 . . . . A 135 LEU CA . 34225 1 1047 . 1 1 114 114 LEU CG C 13 25.1000 0.0000 . 1 . . . . A 135 LEU CG . 34225 1 1048 . 1 1 114 114 LEU CD1 C 13 26.6250 0.0000 . 1 . . . . A 135 LEU CD1 . 34225 1 1049 . 1 1 114 114 LEU CD2 C 13 22.8260 0.0000 . 1 . . . . A 135 LEU CD2 . 34225 1 1050 . 1 1 114 114 LEU N N 15 117.0300 0.0000 . 1 . . . . A 135 LEU N . 34225 1 1051 . 1 1 115 115 LYS H H 1 7.4740 0.0000 . 1 . . . . A 136 LYS H . 34225 1 1052 . 1 1 115 115 LYS HA H 1 4.6090 0.0000 . 1 . . . . A 136 LYS HA . 34225 1 1053 . 1 1 115 115 LYS HB2 H 1 1.9790 0.0000 . 2 . . . . A 136 LYS HB2 . 34225 1 1054 . 1 1 115 115 LYS HB3 H 1 1.9790 0.0000 . 2 . . . . A 136 LYS HB3 . 34225 1 1055 . 1 1 115 115 LYS HG2 H 1 1.7990 0.0000 . 2 . . . . A 136 LYS HG2 . 34225 1 1056 . 1 1 115 115 LYS HG3 H 1 1.7990 0.0000 . 2 . . . . A 136 LYS HG3 . 34225 1 1057 . 1 1 115 115 LYS HD2 H 1 1.6300 0.0000 . 2 . . . . A 136 LYS HD2 . 34225 1 1058 . 1 1 115 115 LYS HD3 H 1 1.6300 0.0000 . 2 . . . . A 136 LYS HD3 . 34225 1 1059 . 1 1 115 115 LYS HE2 H 1 3.1000 0.0000 . 2 . . . . A 136 LYS HE2 . 34225 1 1060 . 1 1 115 115 LYS HE3 H 1 3.1000 0.0000 . 2 . . . . A 136 LYS HE3 . 34225 1 1061 . 1 1 115 115 LYS CA C 13 57.6000 0.0000 . 1 . . . . A 136 LYS CA . 34225 1 1062 . 1 1 115 115 LYS CB C 13 33.0810 0.0000 . 1 . . . . A 136 LYS CB . 34225 1 1063 . 1 1 115 115 LYS CG C 13 30.0000 0.0000 . 1 . . . . A 136 LYS CG . 34225 1 1064 . 1 1 115 115 LYS CE C 13 42.1600 0.0000 . 1 . . . . A 136 LYS CE . 34225 1 1065 . 1 1 115 115 LYS N N 15 120.9000 0.0000 . 1 . . . . A 136 LYS N . 34225 1 1066 . 1 1 116 116 GLY H H 1 9.6090 0.0000 . 1 . . . . A 137 GLY H . 34225 1 1067 . 1 1 116 116 GLY HA2 H 1 4.7200 0.0000 . 2 . . . . A 137 GLY HA2 . 34225 1 1068 . 1 1 116 116 GLY HA3 H 1 4.4700 0.0000 . 2 . . . . A 137 GLY HA3 . 34225 1 1069 . 1 1 116 116 GLY C C 13 175.8000 0.0000 . 1 . . . . A 137 GLY C . 34225 1 1070 . 1 1 116 116 GLY CA C 13 45.9600 0.0000 . 1 . . . . A 137 GLY CA . 34225 1 1071 . 1 1 116 116 GLY N N 15 118.9540 0.0000 . 1 . . . . A 137 GLY N . 34225 1 1072 . 1 1 117 117 SER H H 1 8.3150 0.0000 . 1 . . . . A 138 SER H . 34225 1 1073 . 1 1 117 117 SER HA H 1 5.0130 0.0000 . 1 . . . . A 138 SER HA . 34225 1 1074 . 1 1 117 117 SER HB2 H 1 4.6020 0.0000 . 2 . . . . A 138 SER HB2 . 34225 1 1075 . 1 1 117 117 SER HB3 H 1 4.6020 0.0000 . 2 . . . . A 138 SER HB3 . 34225 1 1076 . 1 1 117 117 SER C C 13 174.1000 0.0000 . 1 . . . . A 138 SER C . 34225 1 1077 . 1 1 117 117 SER CA C 13 59.9200 0.0000 . 1 . . . . A 138 SER CA . 34225 1 1078 . 1 1 117 117 SER CB C 13 63.9000 0.0000 . 1 . . . . A 138 SER CB . 34225 1 1079 . 1 1 117 117 SER N N 15 113.0170 0.0000 . 1 . . . . A 138 SER N . 34225 1 1080 . 1 1 118 118 SER H H 1 7.2180 0.0000 . 1 . . . . A 139 SER H . 34225 1 1081 . 1 1 118 118 SER HA H 1 3.8440 0.0000 . 1 . . . . A 139 SER HA . 34225 1 1082 . 1 1 118 118 SER HB2 H 1 3.7400 0.0000 . 2 . . . . A 139 SER HB2 . 34225 1 1083 . 1 1 118 118 SER C C 13 172.9000 0.0000 . 1 . . . . A 139 SER C . 34225 1 1084 . 1 1 118 118 SER CA C 13 60.9000 0.0000 . 1 . . . . A 139 SER CA . 34225 1 1085 . 1 1 118 118 SER CB C 13 64.4000 0.0000 . 1 . . . . A 139 SER CB . 34225 1 1086 . 1 1 118 118 SER N N 15 116.4380 0.0000 . 1 . . . . A 139 SER N . 34225 1 1087 . 1 1 119 119 GLY H H 1 9.4100 0.0000 . 1 . . . . A 140 GLY H . 34225 1 1088 . 1 1 119 119 GLY HA2 H 1 3.4800 0.0000 . 2 . . . . A 140 GLY HA2 . 34225 1 1089 . 1 1 119 119 GLY HA3 H 1 5.6100 0.0000 . 2 . . . . A 140 GLY HA3 . 34225 1 1090 . 1 1 119 119 GLY C C 13 174.0000 0.0000 . 1 . . . . A 140 GLY C . 34225 1 1091 . 1 1 119 119 GLY CA C 13 45.6300 0.0000 . 1 . . . . A 140 GLY CA . 34225 1 1092 . 1 1 119 119 GLY N N 15 109.1450 0.0000 . 1 . . . . A 140 GLY N . 34225 1 1093 . 1 1 120 120 GLY H H 1 8.5180 0.0000 . 1 . . . . A 141 GLY H . 34225 1 1094 . 1 1 120 120 GLY HA2 H 1 4.0480 0.0000 . 2 . . . . A 141 GLY HA2 . 34225 1 1095 . 1 1 120 120 GLY HA3 H 1 4.0480 0.0000 . 2 . . . . A 141 GLY HA3 . 34225 1 1096 . 1 1 120 120 GLY CA C 13 44.4000 0.0000 . 1 . . . . A 141 GLY CA . 34225 1 1097 . 1 1 120 120 GLY N N 15 106.3410 0.0000 . 1 . . . . A 141 GLY N . 34225 1 1098 . 1 1 121 121 PRO HA H 1 5.0630 0.0000 . 1 . . . . A 142 PRO HA . 34225 1 1099 . 1 1 121 121 PRO HG2 H 1 1.9200 0.0000 . 2 . . . . A 142 PRO HG2 . 34225 1 1100 . 1 1 121 121 PRO HG3 H 1 1.9200 0.0000 . 2 . . . . A 142 PRO HG3 . 34225 1 1101 . 1 1 121 121 PRO HD2 H 1 3.5350 0.0000 . 2 . . . . A 142 PRO HD2 . 34225 1 1102 . 1 1 121 121 PRO HD3 H 1 3.9790 0.0000 . 2 . . . . A 142 PRO HD3 . 34225 1 1103 . 1 1 121 121 PRO C C 13 175.6000 0.0000 . 1 . . . . A 142 PRO C . 34225 1 1104 . 1 1 121 121 PRO CA C 13 63.4000 0.0000 . 1 . . . . A 142 PRO CA . 34225 1 1105 . 1 1 121 121 PRO CD C 13 51.0600 0.0000 . 1 . . . . A 142 PRO CD . 34225 1 1106 . 1 1 122 122 LEU H H 1 7.8410 0.0000 . 1 . . . . A 143 LEU H . 34225 1 1107 . 1 1 122 122 LEU HA H 1 5.2080 0.0000 . 1 . . . . A 143 LEU HA . 34225 1 1108 . 1 1 122 122 LEU HB2 H 1 0.9450 0.0000 . 2 . . . . A 143 LEU HB2 . 34225 1 1109 . 1 1 122 122 LEU HB3 H 1 0.8600 0.0000 . 2 . . . . A 143 LEU HB3 . 34225 1 1110 . 1 1 122 122 LEU HG H 1 1.1740 0.0000 . 1 . . . . A 143 LEU HG . 34225 1 1111 . 1 1 122 122 LEU HD11 H 1 0.5130 0.0000 . 2 . . . . A 143 LEU HD11 . 34225 1 1112 . 1 1 122 122 LEU HD12 H 1 0.5130 0.0000 . 2 . . . . A 143 LEU HD12 . 34225 1 1113 . 1 1 122 122 LEU HD13 H 1 0.5130 0.0000 . 2 . . . . A 143 LEU HD13 . 34225 1 1114 . 1 1 122 122 LEU HD21 H 1 0.3430 0.0000 . 2 . . . . A 143 LEU HD21 . 34225 1 1115 . 1 1 122 122 LEU HD22 H 1 0.3430 0.0000 . 2 . . . . A 143 LEU HD22 . 34225 1 1116 . 1 1 122 122 LEU HD23 H 1 0.3430 0.0000 . 2 . . . . A 143 LEU HD23 . 34225 1 1117 . 1 1 122 122 LEU C C 13 175.9000 0.0000 . 1 . . . . A 143 LEU C . 34225 1 1118 . 1 1 122 122 LEU CA C 13 54.6000 0.0000 . 1 . . . . A 143 LEU CA . 34225 1 1119 . 1 1 122 122 LEU CB C 13 42.4570 0.0000 . 1 . . . . A 143 LEU CB . 34225 1 1120 . 1 1 122 122 LEU CG C 13 29.8000 0.0000 . 1 . . . . A 143 LEU CG . 34225 1 1121 . 1 1 122 122 LEU CD1 C 13 25.4200 0.0000 . 1 . . . . A 143 LEU CD1 . 34225 1 1122 . 1 1 122 122 LEU CD2 C 13 26.7000 0.0000 . 1 . . . . A 143 LEU CD2 . 34225 1 1123 . 1 1 122 122 LEU N N 15 117.9640 0.0000 . 1 . . . . A 143 LEU N . 34225 1 1124 . 1 1 123 123 LEU H H 1 9.4670 0.0000 . 1 . . . . A 144 LEU H . 34225 1 1125 . 1 1 123 123 LEU HA H 1 5.7420 0.0000 . 1 . . . . A 144 LEU HA . 34225 1 1126 . 1 1 123 123 LEU HB2 H 1 1.7920 0.0000 . 2 . . . . A 144 LEU HB2 . 34225 1 1127 . 1 1 123 123 LEU HB3 H 1 1.6740 0.0000 . 2 . . . . A 144 LEU HB3 . 34225 1 1128 . 1 1 123 123 LEU HD11 H 1 0.8580 0.0000 . 2 . . . . A 144 LEU HD11 . 34225 1 1129 . 1 1 123 123 LEU HD12 H 1 0.8580 0.0000 . 2 . . . . A 144 LEU HD12 . 34225 1 1130 . 1 1 123 123 LEU HD13 H 1 0.8580 0.0000 . 2 . . . . A 144 LEU HD13 . 34225 1 1131 . 1 1 123 123 LEU HD21 H 1 0.9040 0.0000 . 2 . . . . A 144 LEU HD21 . 34225 1 1132 . 1 1 123 123 LEU HD22 H 1 0.9040 0.0000 . 2 . . . . A 144 LEU HD22 . 34225 1 1133 . 1 1 123 123 LEU HD23 H 1 0.9040 0.0000 . 2 . . . . A 144 LEU HD23 . 34225 1 1134 . 1 1 123 123 LEU CA C 13 52.7000 0.0000 . 1 . . . . A 144 LEU CA . 34225 1 1135 . 1 1 123 123 LEU CB C 13 45.9300 0.0000 . 1 . . . . A 144 LEU CB . 34225 1 1136 . 1 1 123 123 LEU CD1 C 13 27.1000 0.0000 . 1 . . . . A 144 LEU CD1 . 34225 1 1137 . 1 1 123 123 LEU CD2 C 13 24.9000 0.0000 . 1 . . . . A 144 LEU CD2 . 34225 1 1138 . 1 1 123 123 LEU N N 15 124.3720 0.0000 . 1 . . . . A 144 LEU N . 34225 1 1139 . 1 1 124 124 CYS H H 1 8.5020 0.0000 . 1 . . . . A 145 CYS H . 34225 1 1140 . 1 1 124 124 CYS HA H 1 5.5180 0.0000 . 1 . . . . A 145 CYS HA . 34225 1 1141 . 1 1 124 124 CYS HB2 H 1 3.6240 0.0000 . 2 . . . . A 145 CYS HB2 . 34225 1 1142 . 1 1 124 124 CYS HB3 H 1 3.0300 0.0000 . 2 . . . . A 145 CYS HB3 . 34225 1 1143 . 1 1 124 124 CYS CA C 13 56.5700 0.0000 . 1 . . . . A 145 CYS CA . 34225 1 1144 . 1 1 124 124 CYS CB C 13 29.3500 0.0000 . 1 . . . . A 145 CYS CB . 34225 1 1145 . 1 1 124 124 CYS N N 15 120.3400 0.0000 . 1 . . . . A 145 CYS N . 34225 1 1146 . 1 1 125 125 PRO HA H 1 4.3930 0.0000 . 1 . . . . A 146 PRO HA . 34225 1 1147 . 1 1 125 125 PRO HB2 H 1 2.6760 0.0000 . 2 . . . . A 146 PRO HB2 . 34225 1 1148 . 1 1 125 125 PRO HB3 H 1 2.1110 0.0000 . 2 . . . . A 146 PRO HB3 . 34225 1 1149 . 1 1 125 125 PRO C C 13 178.1000 0.0000 . 1 . . . . A 146 PRO C . 34225 1 1150 . 1 1 125 125 PRO CA C 13 65.9300 0.0000 . 1 . . . . A 146 PRO CA . 34225 1 1151 . 1 1 126 126 SER H H 1 9.1520 0.0000 . 1 . . . . A 147 SER H . 34225 1 1152 . 1 1 126 126 SER HA H 1 4.5290 0.0000 . 1 . . . . A 147 SER HA . 34225 1 1153 . 1 1 126 126 SER HB2 H 1 3.6380 0.0000 . 2 . . . . A 147 SER HB2 . 34225 1 1154 . 1 1 126 126 SER HB3 H 1 3.2020 0.0000 . 2 . . . . A 147 SER HB3 . 34225 1 1155 . 1 1 126 126 SER C C 13 176.3000 0.0000 . 1 . . . . A 147 SER C . 34225 1 1156 . 1 1 126 126 SER CA C 13 59.1500 0.0000 . 1 . . . . A 147 SER CA . 34225 1 1157 . 1 1 126 126 SER CB C 13 63.4810 0.0000 . 1 . . . . A 147 SER CB . 34225 1 1158 . 1 1 126 126 SER N N 15 114.0180 0.0000 . 1 . . . . A 147 SER N . 34225 1 1159 . 1 1 127 127 GLY H H 1 8.6780 0.0000 . 1 . . . . A 148 GLY H . 34225 1 1160 . 1 1 127 127 GLY HA2 H 1 4.1210 0.0000 . 2 . . . . A 148 GLY HA2 . 34225 1 1161 . 1 1 127 127 GLY HA3 H 1 4.1210 0.0000 . 2 . . . . A 148 GLY HA3 . 34225 1 1162 . 1 1 127 127 GLY CA C 13 45.5300 0.0000 . 1 . . . . A 148 GLY CA . 34225 1 1163 . 1 1 127 127 GLY N N 15 110.8610 0.0000 . 1 . . . . A 148 GLY N . 34225 1 1164 . 1 1 128 128 HIS H H 1 8.8840 0.0000 . 1 . . . . A 149 HIS H . 34225 1 1165 . 1 1 128 128 HIS HA H 1 5.2390 0.0000 . 1 . . . . A 149 HIS HA . 34225 1 1166 . 1 1 128 128 HIS HB2 H 1 3.2240 0.0000 . 2 . . . . A 149 HIS HB2 . 34225 1 1167 . 1 1 128 128 HIS HB3 H 1 3.8470 0.0000 . 2 . . . . A 149 HIS HB3 . 34225 1 1168 . 1 1 128 128 HIS HD2 H 1 6.9800 0.0000 . 1 . . . . A 149 HIS HD2 . 34225 1 1169 . 1 1 128 128 HIS HE1 H 1 7.8000 0.0000 . 1 . . . . A 149 HIS HE1 . 34225 1 1170 . 1 1 128 128 HIS C C 13 176.1000 0.0000 . 1 . . . . A 149 HIS C . 34225 1 1171 . 1 1 128 128 HIS CA C 13 54.0010 0.0000 . 1 . . . . A 149 HIS CA . 34225 1 1172 . 1 1 128 128 HIS CB C 13 32.5340 0.0000 . 1 . . . . A 149 HIS CB . 34225 1 1173 . 1 1 128 128 HIS CD2 C 13 117.1000 0.0000 . 1 . . . . A 149 HIS CD2 . 34225 1 1174 . 1 1 128 128 HIS CE1 C 13 137.6000 0.0000 . 1 . . . . A 149 HIS CE1 . 34225 1 1175 . 1 1 128 128 HIS ND1 N 15 222.0000 0.0000 . 1 . . . . A 149 HIS ND1 . 34225 1 1176 . 1 1 128 128 HIS NE2 N 15 169.0000 0.0000 . 1 . . . . A 149 HIS NE2 . 34225 1 1177 . 1 1 129 129 ALA H H 1 8.8550 0.0000 . 1 . . . . A 150 ALA H . 34225 1 1178 . 1 1 129 129 ALA HA H 1 4.7500 0.0000 . 1 . . . . A 150 ALA HA . 34225 1 1179 . 1 1 129 129 ALA HB1 H 1 1.2600 0.0000 . 1 . . . . A 150 ALA HB1 . 34225 1 1180 . 1 1 129 129 ALA HB2 H 1 1.2600 0.0000 . 1 . . . . A 150 ALA HB2 . 34225 1 1181 . 1 1 129 129 ALA HB3 H 1 1.2600 0.0000 . 1 . . . . A 150 ALA HB3 . 34225 1 1182 . 1 1 129 129 ALA CA C 13 52.8200 0.0000 . 1 . . . . A 150 ALA CA . 34225 1 1183 . 1 1 129 129 ALA CB C 13 20.3600 0.0000 . 1 . . . . A 150 ALA CB . 34225 1 1184 . 1 1 129 129 ALA N N 15 121.0500 0.0000 . 1 . . . . A 150 ALA N . 34225 1 1185 . 1 1 130 130 VAL H H 1 9.4840 0.0000 . 1 . . . . A 151 VAL H . 34225 1 1186 . 1 1 130 130 VAL HA H 1 4.3620 0.0000 . 1 . . . . A 151 VAL HA . 34225 1 1187 . 1 1 130 130 VAL HB H 1 1.5970 0.0000 . 1 . . . . A 151 VAL HB . 34225 1 1188 . 1 1 130 130 VAL HG11 H 1 1.0730 0.0000 . 2 . . . . A 151 VAL HG11 . 34225 1 1189 . 1 1 130 130 VAL HG12 H 1 1.0730 0.0000 . 2 . . . . A 151 VAL HG12 . 34225 1 1190 . 1 1 130 130 VAL HG13 H 1 1.0730 0.0000 . 2 . . . . A 151 VAL HG13 . 34225 1 1191 . 1 1 130 130 VAL HG21 H 1 0.9760 0.0000 . 2 . . . . A 151 VAL HG21 . 34225 1 1192 . 1 1 130 130 VAL HG22 H 1 0.9760 0.0000 . 2 . . . . A 151 VAL HG22 . 34225 1 1193 . 1 1 130 130 VAL HG23 H 1 0.9760 0.0000 . 2 . . . . A 151 VAL HG23 . 34225 1 1194 . 1 1 130 130 VAL CA C 13 63.4000 0.0000 . 1 . . . . A 151 VAL CA . 34225 1 1195 . 1 1 130 130 VAL CB C 13 33.5040 0.0000 . 1 . . . . A 151 VAL CB . 34225 1 1196 . 1 1 130 130 VAL CG1 C 13 23.9000 0.0000 . 1 . . . . A 151 VAL CG1 . 34225 1 1197 . 1 1 130 130 VAL CG2 C 13 21.8500 0.0000 . 1 . . . . A 151 VAL CG2 . 34225 1 1198 . 1 1 130 130 VAL N N 15 124.4510 0.0000 . 1 . . . . A 151 VAL N . 34225 1 1199 . 1 1 131 131 GLY H H 1 7.6960 0.0000 . 1 . . . . A 152 GLY H . 34225 1 1200 . 1 1 131 131 GLY HA2 H 1 4.5300 0.0000 . 2 . . . . A 152 GLY HA2 . 34225 1 1201 . 1 1 131 131 GLY HA3 H 1 4.4130 0.0000 . 2 . . . . A 152 GLY HA3 . 34225 1 1202 . 1 1 131 131 GLY C C 13 170.8000 0.0000 . 1 . . . . A 152 GLY C . 34225 1 1203 . 1 1 131 131 GLY CA C 13 47.0200 0.0000 . 1 . . . . A 152 GLY CA . 34225 1 1204 . 1 1 131 131 GLY N N 15 106.9980 0.0000 . 1 . . . . A 152 GLY N . 34225 1 1205 . 1 1 132 132 ILE HA H 1 5.5000 0.0000 . 1 . . . . A 153 ILE HA . 34225 1 1206 . 1 1 132 132 ILE HB H 1 1.7290 0.0000 . 1 . . . . A 153 ILE HB . 34225 1 1207 . 1 1 132 132 ILE HG12 H 1 0.9780 0.0000 . 2 . . . . A 153 ILE HG12 . 34225 1 1208 . 1 1 132 132 ILE HG13 H 1 1.7050 0.0000 . 2 . . . . A 153 ILE HG13 . 34225 1 1209 . 1 1 132 132 ILE HG21 H 1 0.8580 0.0000 . 1 . . . . A 153 ILE HG21 . 34225 1 1210 . 1 1 132 132 ILE HG22 H 1 0.8580 0.0000 . 1 . . . . A 153 ILE HG22 . 34225 1 1211 . 1 1 132 132 ILE HG23 H 1 0.8580 0.0000 . 1 . . . . A 153 ILE HG23 . 34225 1 1212 . 1 1 132 132 ILE HD11 H 1 0.8990 0.0000 . 1 . . . . A 153 ILE HD11 . 34225 1 1213 . 1 1 132 132 ILE HD12 H 1 0.8990 0.0000 . 1 . . . . A 153 ILE HD12 . 34225 1 1214 . 1 1 132 132 ILE HD13 H 1 0.8990 0.0000 . 1 . . . . A 153 ILE HD13 . 34225 1 1215 . 1 1 132 132 ILE C C 13 176.0000 0.0000 . 1 . . . . A 153 ILE C . 34225 1 1216 . 1 1 132 132 ILE CA C 13 58.9000 0.0000 . 1 . . . . A 153 ILE CA . 34225 1 1217 . 1 1 132 132 ILE CB C 13 42.0000 0.0000 . 1 . . . . A 153 ILE CB . 34225 1 1218 . 1 1 132 132 ILE CG1 C 13 24.9300 0.0000 . 1 . . . . A 153 ILE CG1 . 34225 1 1219 . 1 1 132 132 ILE CG2 C 13 17.6600 0.0000 . 1 . . . . A 153 ILE CG2 . 34225 1 1220 . 1 1 132 132 ILE CD1 C 13 13.8600 0.0000 . 1 . . . . A 153 ILE CD1 . 34225 1 1221 . 1 1 133 133 PHE H H 1 9.6720 0.0000 . 1 . . . . A 154 PHE H . 34225 1 1222 . 1 1 133 133 PHE HA H 1 4.6600 0.0000 . 1 . . . . A 154 PHE HA . 34225 1 1223 . 1 1 133 133 PHE HB2 H 1 3.1600 0.0000 . 2 . . . . A 154 PHE HB2 . 34225 1 1224 . 1 1 133 133 PHE HB3 H 1 3.0120 0.0000 . 2 . . . . A 154 PHE HB3 . 34225 1 1225 . 1 1 133 133 PHE HD1 H 1 7.1130 0.0000 . 3 . . . . A 154 PHE HD1 . 34225 1 1226 . 1 1 133 133 PHE HD2 H 1 7.1130 0.0000 . 3 . . . . A 154 PHE HD2 . 34225 1 1227 . 1 1 133 133 PHE HE1 H 1 7.1930 0.0000 . 3 . . . . A 154 PHE HE1 . 34225 1 1228 . 1 1 133 133 PHE HE2 H 1 7.1930 0.0000 . 3 . . . . A 154 PHE HE2 . 34225 1 1229 . 1 1 133 133 PHE C C 13 174.2000 0.0000 . 1 . . . . A 154 PHE C . 34225 1 1230 . 1 1 133 133 PHE CA C 13 58.0350 0.0000 . 1 . . . . A 154 PHE CA . 34225 1 1231 . 1 1 133 133 PHE CB C 13 39.2000 0.0000 . 1 . . . . A 154 PHE CB . 34225 1 1232 . 1 1 133 133 PHE CD1 C 13 130.2000 0.0000 . 3 . . . . A 154 PHE CD1 . 34225 1 1233 . 1 1 133 133 PHE CD2 C 13 130.2000 0.0000 . 3 . . . . A 154 PHE CD2 . 34225 1 1234 . 1 1 133 133 PHE CE1 C 13 131.1000 0.0000 . 3 . . . . A 154 PHE CE1 . 34225 1 1235 . 1 1 133 133 PHE CE2 C 13 131.1000 0.0000 . 3 . . . . A 154 PHE CE2 . 34225 1 1236 . 1 1 133 133 PHE N N 15 124.9450 0.0000 . 1 . . . . A 154 PHE N . 34225 1 1237 . 1 1 134 134 ARG H H 1 9.3440 0.0000 . 1 . . . . A 155 ARG H . 34225 1 1238 . 1 1 134 134 ARG HB2 H 1 1.6150 0.0000 . 2 . . . . A 155 ARG HB2 . 34225 1 1239 . 1 1 134 134 ARG HB3 H 1 1.6150 0.0000 . 2 . . . . A 155 ARG HB3 . 34225 1 1240 . 1 1 134 134 ARG HG2 H 1 1.7500 0.0000 . 2 . . . . A 155 ARG HG2 . 34225 1 1241 . 1 1 134 134 ARG HG3 H 1 1.7500 0.0000 . 2 . . . . A 155 ARG HG3 . 34225 1 1242 . 1 1 134 134 ARG HD2 H 1 3.1300 0.0000 . 2 . . . . A 155 ARG HD2 . 34225 1 1243 . 1 1 134 134 ARG HD3 H 1 3.1300 0.0000 . 2 . . . . A 155 ARG HD3 . 34225 1 1244 . 1 1 134 134 ARG C C 13 174.1000 0.0000 . 1 . . . . A 155 ARG C . 34225 1 1245 . 1 1 134 134 ARG CD C 13 42.3000 0.0000 . 1 . . . . A 155 ARG CD . 34225 1 1246 . 1 1 134 134 ARG N N 15 131.5540 0.0000 . 1 . . . . A 155 ARG N . 34225 1 1247 . 1 1 135 135 ALA H H 1 8.6110 0.0000 . 1 . . . . A 156 ALA H . 34225 1 1248 . 1 1 135 135 ALA HA H 1 4.9100 0.0000 . 1 . . . . A 156 ALA HA . 34225 1 1249 . 1 1 135 135 ALA HB1 H 1 1.3830 0.0000 . 1 . . . . A 156 ALA HB1 . 34225 1 1250 . 1 1 135 135 ALA HB2 H 1 1.3830 0.0000 . 1 . . . . A 156 ALA HB2 . 34225 1 1251 . 1 1 135 135 ALA HB3 H 1 1.3830 0.0000 . 1 . . . . A 156 ALA HB3 . 34225 1 1252 . 1 1 135 135 ALA C C 13 174.7000 0.0000 . 1 . . . . A 156 ALA C . 34225 1 1253 . 1 1 135 135 ALA CA C 13 51.8100 0.0000 . 1 . . . . A 156 ALA CA . 34225 1 1254 . 1 1 135 135 ALA CB C 13 23.4100 0.0000 . 1 . . . . A 156 ALA CB . 34225 1 1255 . 1 1 135 135 ALA N N 15 119.8330 0.0000 . 1 . . . . A 156 ALA N . 34225 1 1256 . 1 1 136 136 ALA H H 1 9.2700 0.0000 . 1 . . . . A 157 ALA H . 34225 1 1257 . 1 1 136 136 ALA HA H 1 5.2200 0.0000 . 1 . . . . A 157 ALA HA . 34225 1 1258 . 1 1 136 136 ALA HB1 H 1 1.5500 0.0000 . 1 . . . . A 157 ALA HB1 . 34225 1 1259 . 1 1 136 136 ALA HB2 H 1 1.5500 0.0000 . 1 . . . . A 157 ALA HB2 . 34225 1 1260 . 1 1 136 136 ALA HB3 H 1 1.5500 0.0000 . 1 . . . . A 157 ALA HB3 . 34225 1 1261 . 1 1 136 136 ALA C C 13 175.4000 0.0000 . 1 . . . . A 157 ALA C . 34225 1 1262 . 1 1 136 136 ALA CA C 13 50.9200 0.0000 . 1 . . . . A 157 ALA CA . 34225 1 1263 . 1 1 136 136 ALA CB C 13 22.5000 0.0000 . 1 . . . . A 157 ALA CB . 34225 1 1264 . 1 1 136 136 ALA N N 15 124.0360 0.0000 . 1 . . . . A 157 ALA N . 34225 1 1265 . 1 1 137 137 VAL H H 1 8.7280 0.0000 . 1 . . . . A 158 VAL H . 34225 1 1266 . 1 1 137 137 VAL HA H 1 4.3210 0.0000 . 1 . . . . A 158 VAL HA . 34225 1 1267 . 1 1 137 137 VAL HB H 1 2.1930 0.0000 . 1 . . . . A 158 VAL HB . 34225 1 1268 . 1 1 137 137 VAL HG11 H 1 1.0730 0.0000 . 2 . . . . A 158 VAL HG11 . 34225 1 1269 . 1 1 137 137 VAL HG12 H 1 1.0730 0.0000 . 2 . . . . A 158 VAL HG12 . 34225 1 1270 . 1 1 137 137 VAL HG13 H 1 1.0730 0.0000 . 2 . . . . A 158 VAL HG13 . 34225 1 1271 . 1 1 137 137 VAL HG21 H 1 0.8790 0.0000 . 2 . . . . A 158 VAL HG21 . 34225 1 1272 . 1 1 137 137 VAL HG22 H 1 0.8790 0.0000 . 2 . . . . A 158 VAL HG22 . 34225 1 1273 . 1 1 137 137 VAL HG23 H 1 0.8790 0.0000 . 2 . . . . A 158 VAL HG23 . 34225 1 1274 . 1 1 137 137 VAL C C 13 176.2000 0.0000 . 1 . . . . A 158 VAL C . 34225 1 1275 . 1 1 137 137 VAL CA C 13 63.0200 0.0000 . 1 . . . . A 158 VAL CA . 34225 1 1276 . 1 1 137 137 VAL CB C 13 31.2000 0.0000 . 1 . . . . A 158 VAL CB . 34225 1 1277 . 1 1 137 137 VAL CG1 C 13 20.9440 0.0000 . 1 . . . . A 158 VAL CG1 . 34225 1 1278 . 1 1 137 137 VAL CG2 C 13 19.4750 0.0000 . 1 . . . . A 158 VAL CG2 . 34225 1 1279 . 1 1 137 137 VAL N N 15 125.9790 0.0000 . 1 . . . . A 158 VAL N . 34225 1 1280 . 1 1 138 138 CYS H H 1 9.1260 0.0000 . 1 . . . . A 159 CYS H . 34225 1 1281 . 1 1 138 138 CYS HA H 1 5.6850 0.0000 . 1 . . . . A 159 CYS HA . 34225 1 1282 . 1 1 138 138 CYS HB2 H 1 2.8960 0.0000 . 2 . . . . A 159 CYS HB2 . 34225 1 1283 . 1 1 138 138 CYS HB3 H 1 2.6410 0.0000 . 2 . . . . A 159 CYS HB3 . 34225 1 1284 . 1 1 138 138 CYS C C 13 174.7000 0.0000 . 1 . . . . A 159 CYS C . 34225 1 1285 . 1 1 138 138 CYS CA C 13 57.7670 0.0000 . 1 . . . . A 159 CYS CA . 34225 1 1286 . 1 1 138 138 CYS CB C 13 32.3420 0.0000 . 1 . . . . A 159 CYS CB . 34225 1 1287 . 1 1 138 138 CYS N N 15 126.3300 0.0000 . 1 . . . . A 159 CYS N . 34225 1 1288 . 1 1 139 139 THR H H 1 8.8480 0.0000 . 1 . . . . A 160 THR H . 34225 1 1289 . 1 1 139 139 THR HA H 1 4.5920 0.0000 . 1 . . . . A 160 THR HA . 34225 1 1290 . 1 1 139 139 THR HB H 1 4.0840 0.0000 . 1 . . . . A 160 THR HB . 34225 1 1291 . 1 1 139 139 THR HG21 H 1 1.3500 0.0000 . 1 . . . . A 160 THR HG21 . 34225 1 1292 . 1 1 139 139 THR HG22 H 1 1.3500 0.0000 . 1 . . . . A 160 THR HG22 . 34225 1 1293 . 1 1 139 139 THR HG23 H 1 1.3500 0.0000 . 1 . . . . A 160 THR HG23 . 34225 1 1294 . 1 1 139 139 THR C C 13 174.5000 0.0000 . 1 . . . . A 160 THR C . 34225 1 1295 . 1 1 139 139 THR CA C 13 61.9700 0.0000 . 1 . . . . A 160 THR CA . 34225 1 1296 . 1 1 139 139 THR CB C 13 71.4900 0.0000 . 1 . . . . A 160 THR CB . 34225 1 1297 . 1 1 139 139 THR CG2 C 13 21.6390 0.0000 . 1 . . . . A 160 THR CG2 . 34225 1 1298 . 1 1 139 139 THR N N 15 118.2370 0.0000 . 1 . . . . A 160 THR N . 34225 1 1299 . 1 1 140 140 ARG H H 1 8.3280 0.0000 . 1 . . . . A 161 ARG H . 34225 1 1300 . 1 1 140 140 ARG HA H 1 4.0260 0.0000 . 1 . . . . A 161 ARG HA . 34225 1 1301 . 1 1 140 140 ARG HB2 H 1 1.9890 0.0000 . 2 . . . . A 161 ARG HB2 . 34225 1 1302 . 1 1 140 140 ARG HB3 H 1 2.1520 0.0000 . 2 . . . . A 161 ARG HB3 . 34225 1 1303 . 1 1 140 140 ARG HG2 H 1 1.8130 0.0000 . 2 . . . . A 161 ARG HG2 . 34225 1 1304 . 1 1 140 140 ARG HG3 H 1 1.8130 0.0000 . 2 . . . . A 161 ARG HG3 . 34225 1 1305 . 1 1 140 140 ARG HD2 H 1 3.3760 0.0000 . 2 . . . . A 161 ARG HD2 . 34225 1 1306 . 1 1 140 140 ARG HD3 H 1 3.3760 0.0000 . 2 . . . . A 161 ARG HD3 . 34225 1 1307 . 1 1 140 140 ARG C C 13 176.3000 0.0000 . 1 . . . . A 161 ARG C . 34225 1 1308 . 1 1 140 140 ARG CA C 13 57.6700 0.0000 . 1 . . . . A 161 ARG CA . 34225 1 1309 . 1 1 140 140 ARG CB C 13 28.3400 0.0000 . 1 . . . . A 161 ARG CB . 34225 1 1310 . 1 1 140 140 ARG CG C 13 28.3000 0.0000 . 1 . . . . A 161 ARG CG . 34225 1 1311 . 1 1 140 140 ARG CD C 13 43.8170 0.0000 . 1 . . . . A 161 ARG CD . 34225 1 1312 . 1 1 141 141 GLY H H 1 8.7960 0.0000 . 1 . . . . A 162 GLY H . 34225 1 1313 . 1 1 141 141 GLY HA2 H 1 4.3250 0.0000 . 2 . . . . A 162 GLY HA2 . 34225 1 1314 . 1 1 141 141 GLY HA3 H 1 3.8120 0.0000 . 2 . . . . A 162 GLY HA3 . 34225 1 1315 . 1 1 141 141 GLY C C 13 174.6000 0.0000 . 1 . . . . A 162 GLY C . 34225 1 1316 . 1 1 141 141 GLY CA C 13 46.1000 0.0000 . 1 . . . . A 162 GLY CA . 34225 1 1317 . 1 1 141 141 GLY N N 15 104.5550 0.0000 . 1 . . . . A 162 GLY N . 34225 1 1318 . 1 1 142 142 VAL H H 1 8.1830 0.0000 . 1 . . . . A 163 VAL H . 34225 1 1319 . 1 1 142 142 VAL HA H 1 4.4380 0.0000 . 1 . . . . A 163 VAL HA . 34225 1 1320 . 1 1 142 142 VAL HB H 1 2.1800 0.0000 . 1 . . . . A 163 VAL HB . 34225 1 1321 . 1 1 142 142 VAL HG11 H 1 0.8800 0.0000 . 2 . . . . A 163 VAL HG11 . 34225 1 1322 . 1 1 142 142 VAL HG12 H 1 0.8800 0.0000 . 2 . . . . A 163 VAL HG12 . 34225 1 1323 . 1 1 142 142 VAL HG13 H 1 0.8800 0.0000 . 2 . . . . A 163 VAL HG13 . 34225 1 1324 . 1 1 142 142 VAL HG21 H 1 1.0100 0.0000 . 2 . . . . A 163 VAL HG21 . 34225 1 1325 . 1 1 142 142 VAL HG22 H 1 1.0100 0.0000 . 2 . . . . A 163 VAL HG22 . 34225 1 1326 . 1 1 142 142 VAL HG23 H 1 1.0100 0.0000 . 2 . . . . A 163 VAL HG23 . 34225 1 1327 . 1 1 142 142 VAL C C 13 175.1000 0.0000 . 1 . . . . A 163 VAL C . 34225 1 1328 . 1 1 142 142 VAL CA C 13 62.3200 0.0000 . 1 . . . . A 163 VAL CA . 34225 1 1329 . 1 1 142 142 VAL CB C 13 33.3300 0.0000 . 1 . . . . A 163 VAL CB . 34225 1 1330 . 1 1 142 142 VAL CG1 C 13 22.2870 0.0000 . 1 . . . . A 163 VAL CG1 . 34225 1 1331 . 1 1 142 142 VAL CG2 C 13 21.1450 0.0000 . 1 . . . . A 163 VAL CG2 . 34225 1 1332 . 1 1 142 142 VAL N N 15 122.4410 0.0000 . 1 . . . . A 163 VAL N . 34225 1 1333 . 1 1 143 143 ALA H H 1 9.4630 0.0000 . 1 . . . . A 164 ALA H . 34225 1 1334 . 1 1 143 143 ALA HA H 1 5.0240 0.0000 . 1 . . . . A 164 ALA HA . 34225 1 1335 . 1 1 143 143 ALA HB1 H 1 1.3870 0.0000 . 1 . . . . A 164 ALA HB1 . 34225 1 1336 . 1 1 143 143 ALA HB2 H 1 1.3870 0.0000 . 1 . . . . A 164 ALA HB2 . 34225 1 1337 . 1 1 143 143 ALA HB3 H 1 1.3870 0.0000 . 1 . . . . A 164 ALA HB3 . 34225 1 1338 . 1 1 143 143 ALA C C 13 176.0000 0.0000 . 1 . . . . A 164 ALA C . 34225 1 1339 . 1 1 143 143 ALA CA C 13 52.0700 0.0000 . 1 . . . . A 164 ALA CA . 34225 1 1340 . 1 1 143 143 ALA CB C 13 20.3000 0.0000 . 1 . . . . A 164 ALA CB . 34225 1 1341 . 1 1 143 143 ALA N N 15 129.5200 0.0000 . 1 . . . . A 164 ALA N . 34225 1 1342 . 1 1 144 144 LYS H H 1 8.5570 0.0000 . 1 . . . . A 165 LYS H . 34225 1 1343 . 1 1 144 144 LYS HA H 1 4.7200 0.0000 . 1 . . . . A 165 LYS HA . 34225 1 1344 . 1 1 144 144 LYS HB2 H 1 1.8850 0.0000 . 2 . . . . A 165 LYS HB2 . 34225 1 1345 . 1 1 144 144 LYS HB3 H 1 2.1030 0.0000 . 2 . . . . A 165 LYS HB3 . 34225 1 1346 . 1 1 144 144 LYS HG2 H 1 1.5930 0.0000 . 2 . . . . A 165 LYS HG2 . 34225 1 1347 . 1 1 144 144 LYS HG3 H 1 1.5930 0.0000 . 2 . . . . A 165 LYS HG3 . 34225 1 1348 . 1 1 144 144 LYS HE2 H 1 3.1000 0.0000 . 2 . . . . A 165 LYS HE2 . 34225 1 1349 . 1 1 144 144 LYS HE3 H 1 3.1000 0.0000 . 2 . . . . A 165 LYS HE3 . 34225 1 1350 . 1 1 144 144 LYS C C 13 176.9000 0.0000 . 1 . . . . A 165 LYS C . 34225 1 1351 . 1 1 144 144 LYS CA C 13 56.0100 0.0000 . 1 . . . . A 165 LYS CA . 34225 1 1352 . 1 1 144 144 LYS CB C 13 34.7250 0.0000 . 1 . . . . A 165 LYS CB . 34225 1 1353 . 1 1 144 144 LYS CG C 13 25.3750 0.0000 . 1 . . . . A 165 LYS CG . 34225 1 1354 . 1 1 144 144 LYS N N 15 119.0280 0.0000 . 1 . . . . A 165 LYS N . 34225 1 1355 . 1 1 145 145 ALA H H 1 8.4680 0.0000 . 1 . . . . A 166 ALA H . 34225 1 1356 . 1 1 145 145 ALA HA H 1 5.0790 0.0000 . 1 . . . . A 166 ALA HA . 34225 1 1357 . 1 1 145 145 ALA HB1 H 1 1.6200 0.0000 . 1 . . . . A 166 ALA HB1 . 34225 1 1358 . 1 1 145 145 ALA HB2 H 1 1.6200 0.0000 . 1 . . . . A 166 ALA HB2 . 34225 1 1359 . 1 1 145 145 ALA HB3 H 1 1.6200 0.0000 . 1 . . . . A 166 ALA HB3 . 34225 1 1360 . 1 1 145 145 ALA C C 13 175.1000 0.0000 . 1 . . . . A 166 ALA C . 34225 1 1361 . 1 1 145 145 ALA CA C 13 51.7700 0.0000 . 1 . . . . A 166 ALA CA . 34225 1 1362 . 1 1 145 145 ALA CB C 13 22.1000 0.0000 . 1 . . . . A 166 ALA CB . 34225 1 1363 . 1 1 145 145 ALA N N 15 122.2270 0.0000 . 1 . . . . A 166 ALA N . 34225 1 1364 . 1 1 146 146 VAL H H 1 9.6410 0.0000 . 1 . . . . A 167 VAL H . 34225 1 1365 . 1 1 146 146 VAL HA H 1 5.2310 0.0000 . 1 . . . . A 167 VAL HA . 34225 1 1366 . 1 1 146 146 VAL HB H 1 2.4110 0.0000 . 1 . . . . A 167 VAL HB . 34225 1 1367 . 1 1 146 146 VAL HG11 H 1 0.7560 0.0000 . 2 . . . . A 167 VAL HG11 . 34225 1 1368 . 1 1 146 146 VAL HG12 H 1 0.7560 0.0000 . 2 . . . . A 167 VAL HG12 . 34225 1 1369 . 1 1 146 146 VAL HG13 H 1 0.7560 0.0000 . 2 . . . . A 167 VAL HG13 . 34225 1 1370 . 1 1 146 146 VAL HG21 H 1 0.8580 0.0000 . 2 . . . . A 167 VAL HG21 . 34225 1 1371 . 1 1 146 146 VAL HG22 H 1 0.8580 0.0000 . 2 . . . . A 167 VAL HG22 . 34225 1 1372 . 1 1 146 146 VAL HG23 H 1 0.8580 0.0000 . 2 . . . . A 167 VAL HG23 . 34225 1 1373 . 1 1 146 146 VAL C C 13 172.3000 0.0000 . 1 . . . . A 167 VAL C . 34225 1 1374 . 1 1 146 146 VAL CA C 13 60.1300 0.0000 . 1 . . . . A 167 VAL CA . 34225 1 1375 . 1 1 146 146 VAL CB C 13 35.4910 0.0000 . 1 . . . . A 167 VAL CB . 34225 1 1376 . 1 1 146 146 VAL CG1 C 13 22.8900 0.0000 . 1 . . . . A 167 VAL CG1 . 34225 1 1377 . 1 1 146 146 VAL CG2 C 13 18.8060 0.0000 . 1 . . . . A 167 VAL CG2 . 34225 1 1378 . 1 1 146 146 VAL N N 15 112.2250 0.0000 . 1 . . . . A 167 VAL N . 34225 1 1379 . 1 1 147 147 ASP H H 1 9.7280 0.0000 . 1 . . . . A 168 ASP H . 34225 1 1380 . 1 1 147 147 ASP HA H 1 6.0040 0.0000 . 1 . . . . A 168 ASP HA . 34225 1 1381 . 1 1 147 147 ASP HB2 H 1 2.3840 0.0000 . 2 . . . . A 168 ASP HB2 . 34225 1 1382 . 1 1 147 147 ASP HB3 H 1 2.7920 0.0000 . 2 . . . . A 168 ASP HB3 . 34225 1 1383 . 1 1 147 147 ASP C C 13 175.8000 0.0000 . 1 . . . . A 168 ASP C . 34225 1 1384 . 1 1 147 147 ASP CA C 13 52.6100 0.0000 . 1 . . . . A 168 ASP CA . 34225 1 1385 . 1 1 147 147 ASP CB C 13 46.4000 0.0000 . 1 . . . . A 168 ASP CB . 34225 1 1386 . 1 1 147 147 ASP N N 15 126.5100 0.0000 . 1 . . . . A 168 ASP N . 34225 1 1387 . 1 1 148 148 PHE H H 1 9.0700 0.0000 . 1 . . . . A 169 PHE H . 34225 1 1388 . 1 1 148 148 PHE HA H 1 5.6600 0.0000 . 1 . . . . A 169 PHE HA . 34225 1 1389 . 1 1 148 148 PHE HB2 H 1 2.5750 0.0000 . 2 . . . . A 169 PHE HB2 . 34225 1 1390 . 1 1 148 148 PHE HB3 H 1 2.9180 0.0000 . 2 . . . . A 169 PHE HB3 . 34225 1 1391 . 1 1 148 148 PHE HD1 H 1 6.7050 0.0000 . 3 . . . . A 169 PHE HD1 . 34225 1 1392 . 1 1 148 148 PHE HD2 H 1 6.7050 0.0000 . 3 . . . . A 169 PHE HD2 . 34225 1 1393 . 1 1 148 148 PHE HE1 H 1 6.9870 0.0000 . 3 . . . . A 169 PHE HE1 . 34225 1 1394 . 1 1 148 148 PHE HE2 H 1 6.9870 0.0000 . 3 . . . . A 169 PHE HE2 . 34225 1 1395 . 1 1 148 148 PHE HZ H 1 7.3310 0.0000 . 1 . . . . A 169 PHE HZ . 34225 1 1396 . 1 1 148 148 PHE C C 13 171.6000 0.0000 . 1 . . . . A 169 PHE C . 34225 1 1397 . 1 1 148 148 PHE CA C 13 54.9640 0.0000 . 1 . . . . A 169 PHE CA . 34225 1 1398 . 1 1 148 148 PHE CB C 13 43.9700 0.0000 . 1 . . . . A 169 PHE CB . 34225 1 1399 . 1 1 148 148 PHE N N 15 125.9640 0.0000 . 1 . . . . A 169 PHE N . 34225 1 1400 . 1 1 149 149 VAL H H 1 9.0440 0.0000 . 1 . . . . A 170 VAL H . 34225 1 1401 . 1 1 149 149 VAL HA H 1 4.4100 0.0000 . 1 . . . . A 170 VAL HA . 34225 1 1402 . 1 1 149 149 VAL HB H 1 2.1890 0.0000 . 1 . . . . A 170 VAL HB . 34225 1 1403 . 1 1 149 149 VAL HG11 H 1 1.0730 0.0000 . 2 . . . . A 170 VAL HG11 . 34225 1 1404 . 1 1 149 149 VAL HG12 H 1 1.0730 0.0000 . 2 . . . . A 170 VAL HG12 . 34225 1 1405 . 1 1 149 149 VAL HG13 H 1 1.0730 0.0000 . 2 . . . . A 170 VAL HG13 . 34225 1 1406 . 1 1 149 149 VAL HG21 H 1 1.2480 0.0000 . 2 . . . . A 170 VAL HG21 . 34225 1 1407 . 1 1 149 149 VAL HG22 H 1 1.2480 0.0000 . 2 . . . . A 170 VAL HG22 . 34225 1 1408 . 1 1 149 149 VAL HG23 H 1 1.2480 0.0000 . 2 . . . . A 170 VAL HG23 . 34225 1 1409 . 1 1 149 149 VAL C C 13 175.6000 0.0000 . 1 . . . . A 170 VAL C . 34225 1 1410 . 1 1 149 149 VAL CA C 13 59.3900 0.0000 . 1 . . . . A 170 VAL CA . 34225 1 1411 . 1 1 149 149 VAL CB C 13 33.3700 0.0000 . 1 . . . . A 170 VAL CB . 34225 1 1412 . 1 1 149 149 VAL CG1 C 13 21.8900 0.0000 . 1 . . . . A 170 VAL CG1 . 34225 1 1413 . 1 1 149 149 VAL CG2 C 13 21.5000 0.0000 . 1 . . . . A 170 VAL CG2 . 34225 1 1414 . 1 1 149 149 VAL N N 15 119.3780 0.0000 . 1 . . . . A 170 VAL N . 34225 1 1415 . 1 1 150 150 PRO HA H 1 5.2830 0.0000 . 1 . . . . A 171 PRO HA . 34225 1 1416 . 1 1 150 150 PRO HB2 H 1 2.4460 0.0000 . 2 . . . . A 171 PRO HB2 . 34225 1 1417 . 1 1 150 150 PRO HB3 H 1 2.8160 0.0000 . 2 . . . . A 171 PRO HB3 . 34225 1 1418 . 1 1 150 150 PRO HG2 H 1 2.1720 0.0000 . 2 . . . . A 171 PRO HG2 . 34225 1 1419 . 1 1 150 150 PRO HG3 H 1 2.0770 0.0000 . 2 . . . . A 171 PRO HG3 . 34225 1 1420 . 1 1 150 150 PRO HD2 H 1 3.7020 0.0000 . 2 . . . . A 171 PRO HD2 . 34225 1 1421 . 1 1 150 150 PRO HD3 H 1 3.7020 0.0000 . 2 . . . . A 171 PRO HD3 . 34225 1 1422 . 1 1 150 150 PRO C C 13 178.1000 0.0000 . 1 . . . . A 171 PRO C . 34225 1 1423 . 1 1 150 150 PRO CA C 13 62.7270 0.0000 . 1 . . . . A 171 PRO CA . 34225 1 1424 . 1 1 150 150 PRO CB C 13 33.3950 0.0000 . 1 . . . . A 171 PRO CB . 34225 1 1425 . 1 1 150 150 PRO CG C 13 27.9900 0.0000 . 1 . . . . A 171 PRO CG . 34225 1 1426 . 1 1 150 150 PRO CD C 13 50.1140 0.0000 . 1 . . . . A 171 PRO CD . 34225 1 1427 . 1 1 151 151 VAL H H 1 8.0690 0.0000 . 1 . . . . A 172 VAL H . 34225 1 1428 . 1 1 151 151 VAL HA H 1 4.3980 0.0000 . 1 . . . . A 172 VAL HA . 34225 1 1429 . 1 1 151 151 VAL HB H 1 2.1720 0.0000 . 1 . . . . A 172 VAL HB . 34225 1 1430 . 1 1 151 151 VAL HG11 H 1 1.0550 0.0000 . 2 . . . . A 172 VAL HG11 . 34225 1 1431 . 1 1 151 151 VAL HG12 H 1 1.0550 0.0000 . 2 . . . . A 172 VAL HG12 . 34225 1 1432 . 1 1 151 151 VAL HG13 H 1 1.0550 0.0000 . 2 . . . . A 172 VAL HG13 . 34225 1 1433 . 1 1 151 151 VAL HG21 H 1 1.1690 0.0000 . 2 . . . . A 172 VAL HG21 . 34225 1 1434 . 1 1 151 151 VAL HG22 H 1 1.1690 0.0000 . 2 . . . . A 172 VAL HG22 . 34225 1 1435 . 1 1 151 151 VAL HG23 H 1 1.1690 0.0000 . 2 . . . . A 172 VAL HG23 . 34225 1 1436 . 1 1 151 151 VAL CA C 13 64.7000 0.0000 . 1 . . . . A 172 VAL CA . 34225 1 1437 . 1 1 151 151 VAL CB C 13 31.7110 0.0000 . 1 . . . . A 172 VAL CB . 34225 1 1438 . 1 1 151 151 VAL CG1 C 13 21.6500 0.0000 . 1 . . . . A 172 VAL CG1 . 34225 1 1439 . 1 1 151 151 VAL CG2 C 13 20.4340 0.0000 . 1 . . . . A 172 VAL CG2 . 34225 1 1440 . 1 1 152 152 GLU H H 1 9.9080 0.0000 . 1 . . . . A 173 GLU H . 34225 1 1441 . 1 1 152 152 GLU HA H 1 4.2090 0.0000 . 1 . . . . A 173 GLU HA . 34225 1 1442 . 1 1 152 152 GLU HB2 H 1 2.0900 0.0000 . 2 . . . . A 173 GLU HB2 . 34225 1 1443 . 1 1 152 152 GLU HB3 H 1 2.2110 0.0000 . 2 . . . . A 173 GLU HB3 . 34225 1 1444 . 1 1 152 152 GLU HG2 H 1 2.3940 0.0000 . 2 . . . . A 173 GLU HG2 . 34225 1 1445 . 1 1 152 152 GLU HG3 H 1 2.5830 0.0000 . 2 . . . . A 173 GLU HG3 . 34225 1 1446 . 1 1 152 152 GLU C C 13 179.2000 0.0000 . 1 . . . . A 173 GLU C . 34225 1 1447 . 1 1 152 152 GLU CA C 13 61.1760 0.0000 . 1 . . . . A 173 GLU CA . 34225 1 1448 . 1 1 152 152 GLU CB C 13 28.9540 0.0000 . 1 . . . . A 173 GLU CB . 34225 1 1449 . 1 1 152 152 GLU CG C 13 37.3090 0.0000 . 1 . . . . A 173 GLU CG . 34225 1 1450 . 1 1 152 152 GLU N N 15 123.8150 0.0000 . 1 . . . . A 173 GLU N . 34225 1 1451 . 1 1 153 153 SER H H 1 7.7680 0.0000 . 1 . . . . A 174 SER H . 34225 1 1452 . 1 1 153 153 SER HA H 1 4.4730 0.0000 . 1 . . . . A 174 SER HA . 34225 1 1453 . 1 1 153 153 SER HB2 H 1 3.6800 0.0000 . 2 . . . . A 174 SER HB2 . 34225 1 1454 . 1 1 153 153 SER HB3 H 1 3.9480 0.0000 . 2 . . . . A 174 SER HB3 . 34225 1 1455 . 1 1 153 153 SER C C 13 177.2000 0.0000 . 1 . . . . A 174 SER C . 34225 1 1456 . 1 1 153 153 SER CA C 13 61.5400 0.0000 . 1 . . . . A 174 SER CA . 34225 1 1457 . 1 1 153 153 SER CB C 13 63.5400 0.0000 . 1 . . . . A 174 SER CB . 34225 1 1458 . 1 1 153 153 SER N N 15 113.7050 0.0000 . 1 . . . . A 174 SER N . 34225 1 1459 . 1 1 154 154 MET H H 1 7.4640 0.0000 . 1 . . . . A 175 MET H . 34225 1 1460 . 1 1 154 154 MET HA H 1 3.0120 0.0000 . 1 . . . . A 175 MET HA . 34225 1 1461 . 1 1 154 154 MET HB2 H 1 1.5800 0.0000 . 2 . . . . A 175 MET HB2 . 34225 1 1462 . 1 1 154 154 MET HB3 H 1 2.0170 0.0000 . 2 . . . . A 175 MET HB3 . 34225 1 1463 . 1 1 154 154 MET HG2 H 1 0.7400 0.0000 . 2 . . . . A 175 MET HG2 . 34225 1 1464 . 1 1 154 154 MET C C 13 178.8000 0.0000 . 1 . . . . A 175 MET C . 34225 1 1465 . 1 1 154 154 MET CA C 13 59.5300 0.0000 . 1 . . . . A 175 MET CA . 34225 1 1466 . 1 1 154 154 MET CG C 13 32.7400 0.0000 . 1 . . . . A 175 MET CG . 34225 1 1467 . 1 1 154 154 MET N N 15 124.4180 0.0000 . 1 . . . . A 175 MET N . 34225 1 1468 . 1 1 155 155 GLU H H 1 7.4750 0.0000 . 1 . . . . A 176 GLU H . 34225 1 1469 . 1 1 155 155 GLU HA H 1 4.1180 0.0000 . 1 . . . . A 176 GLU HA . 34225 1 1470 . 1 1 155 155 GLU HB2 H 1 2.1900 0.0000 . 2 . . . . A 176 GLU HB2 . 34225 1 1471 . 1 1 155 155 GLU HB3 H 1 2.1900 0.0000 . 2 . . . . A 176 GLU HB3 . 34225 1 1472 . 1 1 155 155 GLU HG2 H 1 2.3150 0.0000 . 2 . . . . A 176 GLU HG2 . 34225 1 1473 . 1 1 155 155 GLU HG3 H 1 2.3600 0.0000 . 2 . . . . A 176 GLU HG3 . 34225 1 1474 . 1 1 155 155 GLU C C 13 179.5000 0.0000 . 1 . . . . A 176 GLU C . 34225 1 1475 . 1 1 155 155 GLU CA C 13 59.9500 0.0000 . 1 . . . . A 176 GLU CA . 34225 1 1476 . 1 1 155 155 GLU CB C 13 29.4700 0.0000 . 1 . . . . A 176 GLU CB . 34225 1 1477 . 1 1 155 155 GLU CG C 13 36.3000 0.0000 . 1 . . . . A 176 GLU CG . 34225 1 1478 . 1 1 155 155 GLU N N 15 119.3070 0.0000 . 1 . . . . A 176 GLU N . 34225 1 1479 . 1 1 156 156 THR H H 1 8.1380 0.0000 . 1 . . . . A 177 THR H . 34225 1 1480 . 1 1 156 156 THR HA H 1 3.9850 0.0000 . 1 . . . . A 177 THR HA . 34225 1 1481 . 1 1 156 156 THR HB H 1 4.2500 0.0000 . 1 . . . . A 177 THR HB . 34225 1 1482 . 1 1 156 156 THR HG21 H 1 1.3360 0.0000 . 1 . . . . A 177 THR HG21 . 34225 1 1483 . 1 1 156 156 THR HG22 H 1 1.3360 0.0000 . 1 . . . . A 177 THR HG22 . 34225 1 1484 . 1 1 156 156 THR HG23 H 1 1.3360 0.0000 . 1 . . . . A 177 THR HG23 . 34225 1 1485 . 1 1 156 156 THR C C 13 177.2000 0.0000 . 1 . . . . A 177 THR C . 34225 1 1486 . 1 1 156 156 THR CA C 13 66.3900 0.0000 . 1 . . . . A 177 THR CA . 34225 1 1487 . 1 1 156 156 THR CB C 13 68.9000 0.0000 . 1 . . . . A 177 THR CB . 34225 1 1488 . 1 1 156 156 THR CG2 C 13 22.2400 0.0000 . 1 . . . . A 177 THR CG2 . 34225 1 1489 . 1 1 156 156 THR N N 15 113.4900 0.0000 . 1 . . . . A 177 THR N . 34225 1 1490 . 1 1 157 157 THR H H 1 7.6690 0.0000 . 1 . . . . A 178 THR H . 34225 1 1491 . 1 1 157 157 THR HA H 1 4.1440 0.0000 . 1 . . . . A 178 THR HA . 34225 1 1492 . 1 1 157 157 THR HB H 1 4.3830 0.0000 . 1 . . . . A 178 THR HB . 34225 1 1493 . 1 1 157 157 THR HG21 H 1 1.3900 0.0000 . 1 . . . . A 178 THR HG21 . 34225 1 1494 . 1 1 157 157 THR HG22 H 1 1.3900 0.0000 . 1 . . . . A 178 THR HG22 . 34225 1 1495 . 1 1 157 157 THR HG23 H 1 1.3900 0.0000 . 1 . . . . A 178 THR HG23 . 34225 1 1496 . 1 1 157 157 THR C C 13 176.6000 0.0000 . 1 . . . . A 178 THR C . 34225 1 1497 . 1 1 157 157 THR CA C 13 67.5740 0.0000 . 1 . . . . A 178 THR CA . 34225 1 1498 . 1 1 157 157 THR CB C 13 69.1000 0.0000 . 1 . . . . A 178 THR CB . 34225 1 1499 . 1 1 157 157 THR CG2 C 13 21.8760 0.0000 . 1 . . . . A 178 THR CG2 . 34225 1 1500 . 1 1 157 157 THR N N 15 119.7720 0.0000 . 1 . . . . A 178 THR N . 34225 1 1501 . 1 1 158 158 MET H H 1 8.0430 0.0000 . 1 . . . . A 179 MET H . 34225 1 1502 . 1 1 158 158 MET HA H 1 3.9700 0.0000 . 1 . . . . A 179 MET HA . 34225 1 1503 . 1 1 158 158 MET HB2 H 1 2.0240 0.0000 . 2 . . . . A 179 MET HB2 . 34225 1 1504 . 1 1 158 158 MET HB3 H 1 2.1500 0.0000 . 2 . . . . A 179 MET HB3 . 34225 1 1505 . 1 1 158 158 MET HG2 H 1 1.9750 0.0000 . 2 . . . . A 179 MET HG2 . 34225 1 1506 . 1 1 158 158 MET HG3 H 1 2.4180 0.0000 . 2 . . . . A 179 MET HG3 . 34225 1 1507 . 1 1 158 158 MET C C 13 178.4000 0.0000 . 1 . . . . A 179 MET C . 34225 1 1508 . 1 1 158 158 MET CA C 13 59.1700 0.0000 . 1 . . . . A 179 MET CA . 34225 1 1509 . 1 1 158 158 MET CB C 13 32.9000 0.0000 . 1 . . . . A 179 MET CB . 34225 1 1510 . 1 1 158 158 MET CG C 13 31.9000 0.0000 . 1 . . . . A 179 MET CG . 34225 1 1511 . 1 1 158 158 MET N N 15 121.0960 0.0000 . 1 . . . . A 179 MET N . 34225 1 1512 . 1 1 159 159 ARG H H 1 8.1450 0.0000 . 1 . . . . A 180 ARG H . 34225 1 1513 . 1 1 159 159 ARG HA H 1 4.2210 0.0000 . 1 . . . . A 180 ARG HA . 34225 1 1514 . 1 1 159 159 ARG HB2 H 1 2.0300 0.0000 . 2 . . . . A 180 ARG HB2 . 34225 1 1515 . 1 1 159 159 ARG HB3 H 1 2.0300 0.0000 . 2 . . . . A 180 ARG HB3 . 34225 1 1516 . 1 1 159 159 ARG HG2 H 1 1.9510 0.0000 . 2 . . . . A 180 ARG HG2 . 34225 1 1517 . 1 1 159 159 ARG HG3 H 1 1.7950 0.0000 . 2 . . . . A 180 ARG HG3 . 34225 1 1518 . 1 1 159 159 ARG HD2 H 1 3.3040 0.0000 . 2 . . . . A 180 ARG HD2 . 34225 1 1519 . 1 1 159 159 ARG HD3 H 1 3.3040 0.0000 . 2 . . . . A 180 ARG HD3 . 34225 1 1520 . 1 1 159 159 ARG C C 13 178.0000 0.0000 . 1 . . . . A 180 ARG C . 34225 1 1521 . 1 1 159 159 ARG CA C 13 58.9100 0.0000 . 1 . . . . A 180 ARG CA . 34225 1 1522 . 1 1 159 159 ARG CB C 13 30.6860 0.0000 . 1 . . . . A 180 ARG CB . 34225 1 1523 . 1 1 159 159 ARG CG C 13 28.3150 0.0000 . 1 . . . . A 180 ARG CG . 34225 1 1524 . 1 1 159 159 ARG CD C 13 43.7050 0.0000 . 1 . . . . A 180 ARG CD . 34225 1 1525 . 1 1 159 159 ARG N N 15 119.5490 0.0000 . 1 . . . . A 180 ARG N . 34225 1 1526 . 1 1 160 160 ALA H H 1 7.9760 0.0000 . 1 . . . . A 181 ALA H . 34225 1 1527 . 1 1 160 160 ALA HA H 1 4.4400 0.0000 . 1 . . . . A 181 ALA HA . 34225 1 1528 . 1 1 160 160 ALA HB1 H 1 1.6700 0.0000 . 1 . . . . A 181 ALA HB1 . 34225 1 1529 . 1 1 160 160 ALA HB2 H 1 1.6700 0.0000 . 1 . . . . A 181 ALA HB2 . 34225 1 1530 . 1 1 160 160 ALA HB3 H 1 1.6700 0.0000 . 1 . . . . A 181 ALA HB3 . 34225 1 1531 . 1 1 160 160 ALA C C 13 179.0000 0.0000 . 1 . . . . A 181 ALA C . 34225 1 1532 . 1 1 160 160 ALA CA C 13 53.9000 0.0000 . 1 . . . . A 181 ALA CA . 34225 1 1533 . 1 1 160 160 ALA CB C 13 19.2000 0.0000 . 1 . . . . A 181 ALA CB . 34225 1 1534 . 1 1 160 160 ALA N N 15 121.7080 0.0000 . 1 . . . . A 181 ALA N . 34225 1 1535 . 1 1 161 161 SER H H 1 7.9210 0.0000 . 1 . . . . A 182 SER H . 34225 1 1536 . 1 1 161 161 SER HA H 1 4.6390 0.0000 . 1 . . . . A 182 SER HA . 34225 1 1537 . 1 1 161 161 SER HB2 H 1 4.2700 0.0000 . 2 . . . . A 182 SER HB2 . 34225 1 1538 . 1 1 161 161 SER HB3 H 1 4.2700 0.0000 . 2 . . . . A 182 SER HB3 . 34225 1 1539 . 1 1 161 161 SER C C 13 175.1000 0.0000 . 1 . . . . A 182 SER C . 34225 1 1540 . 1 1 161 161 SER CA C 13 60.0900 0.0000 . 1 . . . . A 182 SER CA . 34225 1 1541 . 1 1 161 161 SER CB C 13 64.5000 0.0000 . 1 . . . . A 182 SER CB . 34225 1 1542 . 1 1 161 161 SER N N 15 113.9920 0.0000 . 1 . . . . A 182 SER N . 34225 1 1543 . 1 1 162 162 LYS H H 1 8.0560 0.0000 . 1 . . . . A 183 LYS H . 34225 1 1544 . 1 1 162 162 LYS HA H 1 4.4550 0.0000 . 1 . . . . A 183 LYS HA . 34225 1 1545 . 1 1 162 162 LYS C C 13 176.8000 0.0000 . 1 . . . . A 183 LYS C . 34225 1 1546 . 1 1 162 162 LYS CA C 13 56.9500 0.0000 . 1 . . . . A 183 LYS CA . 34225 1 1547 . 1 1 162 162 LYS N N 15 122.5900 0.0000 . 1 . . . . A 183 LYS N . 34225 1 1548 . 1 1 163 163 LYS H H 1 8.1340 0.0000 . 1 . . . . A 184 LYS H . 34225 1 1549 . 1 1 163 163 LYS HA H 1 4.5010 0.0000 . 1 . . . . A 184 LYS HA . 34225 1 1550 . 1 1 163 163 LYS C C 13 176.7000 0.0000 . 1 . . . . A 184 LYS C . 34225 1 1551 . 1 1 163 163 LYS CA C 13 56.8800 0.0000 . 1 . . . . A 184 LYS CA . 34225 1 1552 . 1 1 163 163 LYS N N 15 122.2870 0.0000 . 1 . . . . A 184 LYS N . 34225 1 1553 . 1 1 164 164 LYS H H 1 8.3690 0.0000 . 1 . . . . A 185 LYS H . 34225 1 1554 . 1 1 164 164 LYS HA H 1 4.4560 0.0000 . 1 . . . . A 185 LYS HA . 34225 1 1555 . 1 1 164 164 LYS C C 13 175.8000 0.0000 . 1 . . . . A 185 LYS C . 34225 1 1556 . 1 1 164 164 LYS CA C 13 56.9500 0.0000 . 1 . . . . A 185 LYS CA . 34225 1 1557 . 1 1 164 164 LYS N N 15 123.9430 0.0000 . 1 . . . . A 185 LYS N . 34225 1 1558 . 1 1 165 165 LYS H H 1 8.0510 0.0000 . 1 . . . . A 186 LYS H . 34225 1 1559 . 1 1 165 165 LYS HA H 1 4.2200 0.0000 . 1 . . . . A 186 LYS HA . 34225 1 1560 . 1 1 165 165 LYS HB2 H 1 1.8510 0.0000 . 2 . . . . A 186 LYS HB2 . 34225 1 1561 . 1 1 165 165 LYS HB3 H 1 1.9440 0.0000 . 2 . . . . A 186 LYS HB3 . 34225 1 1562 . 1 1 165 165 LYS HG2 H 1 1.5490 0.0000 . 2 . . . . A 186 LYS HG2 . 34225 1 1563 . 1 1 165 165 LYS HG3 H 1 1.5460 0.0000 . 2 . . . . A 186 LYS HG3 . 34225 1 1564 . 1 1 165 165 LYS HD2 H 1 1.8590 0.0000 . 2 . . . . A 186 LYS HD2 . 34225 1 1565 . 1 1 165 165 LYS HD3 H 1 1.8590 0.0000 . 2 . . . . A 186 LYS HD3 . 34225 1 1566 . 1 1 165 165 LYS HE2 H 1 3.1500 0.0000 . 2 . . . . A 186 LYS HE2 . 34225 1 1567 . 1 1 165 165 LYS HE3 H 1 3.1500 0.0000 . 2 . . . . A 186 LYS HE3 . 34225 1 1568 . 1 1 165 165 LYS C C 13 181.5000 0.0000 . 1 . . . . A 186 LYS C . 34225 1 1569 . 1 1 165 165 LYS CA C 13 58.3100 0.0000 . 1 . . . . A 186 LYS CA . 34225 1 1570 . 1 1 165 165 LYS CB C 13 34.1600 0.0000 . 1 . . . . A 186 LYS CB . 34225 1 1571 . 1 1 165 165 LYS CG C 13 25.0660 0.0000 . 1 . . . . A 186 LYS CG . 34225 1 1572 . 1 1 165 165 LYS CD C 13 29.5000 0.0000 . 1 . . . . A 186 LYS CD . 34225 1 1573 . 1 1 165 165 LYS CE C 13 42.7000 0.0000 . 1 . . . . A 186 LYS CE . 34225 1 1574 . 1 1 165 165 LYS N N 15 128.5480 0.0000 . 1 . . . . A 186 LYS N . 34225 1 stop_ save_