data_52064 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52064 _Entry.Title ; NMR assignment of the N-terminal region of the Translocated Intimin Receptor (res. 61 to 200) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-31 _Entry.Accession_date 2023-07-31 _Entry.Last_release_date 2023-07-31 _Entry.Original_release_date 2023-07-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR assignment of the N-terminal region of the Translocated Intimin Receptor (res. 61 to 200)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Guillem Hernandez . . . . 52064 2 Marta Vieira . F.M. . . 52064 3 Qiyun Zhong . . . . 52064 4 Miguel Arbesu . . . . 52064 5 Tiago Veloso . . . . 52064 6 Tiago Gomes . . . . 52064 7 Hugo Monteiro . . . . 52064 8 Gad Frankel . . . . 52064 9 Andreas Zanzoni . . . . 52064 10 Tiago Cordeiro . N. . . 52064 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dynamic Structural Biology Lab - ITQB-UNL' . 52064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 52064 '15N chemical shifts' 116 52064 '1H chemical shifts' 584 52064 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 . . 2024-02-14 . original BMRB . 52064 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52064 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38351154 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The pathogen-encoded signalling receptor Tir exploits host-like intrinsic disorder for infection ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 179 _Citation.Page_last 179 _Citation.Year 2024 _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 Marta Vieira . . . . 52064 1 2 Guillem Hernandez G. . . . 52064 1 3 Qiyun Zhong Q. . . . 52064 1 4 Miguel Arbesu M. . . . 52064 1 5 Tiago Veloso T. . . . 52064 1 6 Tiago Gomes T. . . . 52064 1 7 Maria Martins M. L. . . 52064 1 8 Hugo Monteiro H. . . . 52064 1 9 Carlos Frazao C. . . . 52064 1 10 Gad Frankel G. . . . 52064 1 11 Andreas Zanzoni A. . . . 52064 1 12 Tiago Cordeiro T. N. . . 52064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52064 _Assembly.ID 1 _Assembly.Name Homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 32000 _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 'NS-Tir, chain A' 1 $entity_1 . . yes native yes no . . . 52064 1 2 'NS-Tir, chain B' 1 $entity_1 . . yes native yes no . . . 52064 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 25 25 SG . 2 . 1 CYS 25 25 SG . . . . . . . . . . . . 52064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVDSRDIPGLPTNPSRLAAA TSETCLLGGFEVLHDKGPLD ILNTQIGPSAFRVEVQADGT HAAIGEKNGLEVSVTLSPQE WSSLQSIDTEGKNRFVFTGG RGGSGHPMVTVASDIAEART KILAKLDPDNHGGRQPKDVD TWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G-61VDSRDIPGLPTNPSRLAAATSETCLLGGFEVLHDKGPLDILNTQIGPSAFRVEVQADGTHAAIGEKNGLEVSVTLSPQEWSSLQSIDTEGKNRFVFTGGRGGSGHPMVTVASDIAEARTKILAKLDPDNHGGRQPKDVDT200-WSHPQFEK ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment NS-Tir _Entity.Mutation None _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 60 GLY . 52064 1 2 61 VAL . 52064 1 3 62 ASP . 52064 1 4 63 SER . 52064 1 5 64 ARG . 52064 1 6 65 ASP . 52064 1 7 66 ILE . 52064 1 8 67 PRO . 52064 1 9 68 GLY . 52064 1 10 69 LEU . 52064 1 11 70 PRO . 52064 1 12 71 THR . 52064 1 13 72 ASN . 52064 1 14 73 PRO . 52064 1 15 74 SER . 52064 1 16 75 ARG . 52064 1 17 76 LEU . 52064 1 18 77 ALA . 52064 1 19 78 ALA . 52064 1 20 79 ALA . 52064 1 21 80 THR . 52064 1 22 81 SER . 52064 1 23 82 GLU . 52064 1 24 83 THR . 52064 1 25 84 CYS . 52064 1 26 85 LEU . 52064 1 27 86 LEU . 52064 1 28 87 GLY . 52064 1 29 88 GLY . 52064 1 30 89 PHE . 52064 1 31 90 GLU . 52064 1 32 91 VAL . 52064 1 33 92 LEU . 52064 1 34 93 HIS . 52064 1 35 94 ASP . 52064 1 36 95 LYS . 52064 1 37 96 GLY . 52064 1 38 97 PRO . 52064 1 39 98 LEU . 52064 1 40 99 ASP . 52064 1 41 100 ILE . 52064 1 42 101 LEU . 52064 1 43 102 ASN . 52064 1 44 103 THR . 52064 1 45 104 GLN . 52064 1 46 105 ILE . 52064 1 47 106 GLY . 52064 1 48 107 PRO . 52064 1 49 108 SER . 52064 1 50 109 ALA . 52064 1 51 110 PHE . 52064 1 52 111 ARG . 52064 1 53 112 VAL . 52064 1 54 113 GLU . 52064 1 55 114 VAL . 52064 1 56 115 GLN . 52064 1 57 116 ALA . 52064 1 58 117 ASP . 52064 1 59 118 GLY . 52064 1 60 119 THR . 52064 1 61 120 HIS . 52064 1 62 121 ALA . 52064 1 63 122 ALA . 52064 1 64 123 ILE . 52064 1 65 124 GLY . 52064 1 66 125 GLU . 52064 1 67 126 LYS . 52064 1 68 127 ASN . 52064 1 69 128 GLY . 52064 1 70 129 LEU . 52064 1 71 130 GLU . 52064 1 72 131 VAL . 52064 1 73 132 SER . 52064 1 74 133 VAL . 52064 1 75 134 THR . 52064 1 76 135 LEU . 52064 1 77 136 SER . 52064 1 78 137 PRO . 52064 1 79 138 GLN . 52064 1 80 139 GLU . 52064 1 81 140 TRP . 52064 1 82 141 SER . 52064 1 83 142 SER . 52064 1 84 143 LEU . 52064 1 85 144 GLN . 52064 1 86 145 SER . 52064 1 87 146 ILE . 52064 1 88 147 ASP . 52064 1 89 148 THR . 52064 1 90 149 GLU . 52064 1 91 150 GLY . 52064 1 92 151 LYS . 52064 1 93 152 ASN . 52064 1 94 153 ARG . 52064 1 95 154 PHE . 52064 1 96 155 VAL . 52064 1 97 156 PHE . 52064 1 98 157 THR . 52064 1 99 158 GLY . 52064 1 100 159 GLY . 52064 1 101 160 ARG . 52064 1 102 161 GLY . 52064 1 103 162 GLY . 52064 1 104 163 SER . 52064 1 105 164 GLY . 52064 1 106 165 HIS . 52064 1 107 166 PRO . 52064 1 108 167 MET . 52064 1 109 168 VAL . 52064 1 110 169 THR . 52064 1 111 170 VAL . 52064 1 112 171 ALA . 52064 1 113 172 SER . 52064 1 114 173 ASP . 52064 1 115 174 ILE . 52064 1 116 175 ALA . 52064 1 117 176 GLU . 52064 1 118 177 ALA . 52064 1 119 178 ARG . 52064 1 120 179 THR . 52064 1 121 180 LYS . 52064 1 122 181 ILE . 52064 1 123 182 LEU . 52064 1 124 183 ALA . 52064 1 125 184 LYS . 52064 1 126 185 LEU . 52064 1 127 186 ASP . 52064 1 128 187 PRO . 52064 1 129 188 ASP . 52064 1 130 189 ASN . 52064 1 131 190 HIS . 52064 1 132 191 GLY . 52064 1 133 192 GLY . 52064 1 134 193 ARG . 52064 1 135 194 GLN . 52064 1 136 195 PRO . 52064 1 137 196 LYS . 52064 1 138 197 ASP . 52064 1 139 198 VAL . 52064 1 140 199 ASP . 52064 1 141 200 THR . 52064 1 142 201 TRP . 52064 1 143 202 SER . 52064 1 144 203 HIS . 52064 1 145 204 PRO . 52064 1 146 205 GLN . 52064 1 147 206 PHE . 52064 1 148 207 GLU . 52064 1 149 208 LYS . 52064 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52064 1 . VAL 2 2 52064 1 . ASP 3 3 52064 1 . SER 4 4 52064 1 . ARG 5 5 52064 1 . ASP 6 6 52064 1 . ILE 7 7 52064 1 . PRO 8 8 52064 1 . GLY 9 9 52064 1 . LEU 10 10 52064 1 . PRO 11 11 52064 1 . THR 12 12 52064 1 . ASN 13 13 52064 1 . PRO 14 14 52064 1 . SER 15 15 52064 1 . ARG 16 16 52064 1 . LEU 17 17 52064 1 . ALA 18 18 52064 1 . ALA 19 19 52064 1 . ALA 20 20 52064 1 . THR 21 21 52064 1 . SER 22 22 52064 1 . GLU 23 23 52064 1 . THR 24 24 52064 1 . CYS 25 25 52064 1 . LEU 26 26 52064 1 . LEU 27 27 52064 1 . GLY 28 28 52064 1 . GLY 29 29 52064 1 . PHE 30 30 52064 1 . GLU 31 31 52064 1 . VAL 32 32 52064 1 . LEU 33 33 52064 1 . HIS 34 34 52064 1 . ASP 35 35 52064 1 . LYS 36 36 52064 1 . GLY 37 37 52064 1 . PRO 38 38 52064 1 . LEU 39 39 52064 1 . ASP 40 40 52064 1 . ILE 41 41 52064 1 . LEU 42 42 52064 1 . ASN 43 43 52064 1 . THR 44 44 52064 1 . GLN 45 45 52064 1 . ILE 46 46 52064 1 . GLY 47 47 52064 1 . PRO 48 48 52064 1 . SER 49 49 52064 1 . ALA 50 50 52064 1 . PHE 51 51 52064 1 . ARG 52 52 52064 1 . VAL 53 53 52064 1 . GLU 54 54 52064 1 . VAL 55 55 52064 1 . GLN 56 56 52064 1 . ALA 57 57 52064 1 . ASP 58 58 52064 1 . GLY 59 59 52064 1 . THR 60 60 52064 1 . HIS 61 61 52064 1 . ALA 62 62 52064 1 . ALA 63 63 52064 1 . ILE 64 64 52064 1 . GLY 65 65 52064 1 . GLU 66 66 52064 1 . LYS 67 67 52064 1 . ASN 68 68 52064 1 . GLY 69 69 52064 1 . LEU 70 70 52064 1 . GLU 71 71 52064 1 . VAL 72 72 52064 1 . SER 73 73 52064 1 . VAL 74 74 52064 1 . THR 75 75 52064 1 . LEU 76 76 52064 1 . SER 77 77 52064 1 . PRO 78 78 52064 1 . GLN 79 79 52064 1 . GLU 80 80 52064 1 . TRP 81 81 52064 1 . SER 82 82 52064 1 . SER 83 83 52064 1 . LEU 84 84 52064 1 . GLN 85 85 52064 1 . SER 86 86 52064 1 . ILE 87 87 52064 1 . ASP 88 88 52064 1 . THR 89 89 52064 1 . GLU 90 90 52064 1 . GLY 91 91 52064 1 . LYS 92 92 52064 1 . ASN 93 93 52064 1 . ARG 94 94 52064 1 . PHE 95 95 52064 1 . VAL 96 96 52064 1 . PHE 97 97 52064 1 . THR 98 98 52064 1 . GLY 99 99 52064 1 . GLY 100 100 52064 1 . ARG 101 101 52064 1 . GLY 102 102 52064 1 . GLY 103 103 52064 1 . SER 104 104 52064 1 . GLY 105 105 52064 1 . HIS 106 106 52064 1 . PRO 107 107 52064 1 . MET 108 108 52064 1 . VAL 109 109 52064 1 . THR 110 110 52064 1 . VAL 111 111 52064 1 . ALA 112 112 52064 1 . SER 113 113 52064 1 . ASP 114 114 52064 1 . ILE 115 115 52064 1 . ALA 116 116 52064 1 . GLU 117 117 52064 1 . ALA 118 118 52064 1 . ARG 119 119 52064 1 . THR 120 120 52064 1 . LYS 121 121 52064 1 . ILE 122 122 52064 1 . LEU 123 123 52064 1 . ALA 124 124 52064 1 . LYS 125 125 52064 1 . LEU 126 126 52064 1 . ASP 127 127 52064 1 . PRO 128 128 52064 1 . ASP 129 129 52064 1 . ASN 130 130 52064 1 . HIS 131 131 52064 1 . GLY 132 132 52064 1 . GLY 133 133 52064 1 . ARG 134 134 52064 1 . GLN 135 135 52064 1 . PRO 136 136 52064 1 . LYS 137 137 52064 1 . ASP 138 138 52064 1 . VAL 139 139 52064 1 . ASP 140 140 52064 1 . THR 141 141 52064 1 . TRP 142 142 52064 1 . SER 143 143 52064 1 . HIS 144 144 52064 1 . PRO 145 145 52064 1 . GLN 146 146 52064 1 . PHE 147 147 52064 1 . GLU 148 148 52064 1 . LYS 149 149 52064 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52064 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli EPEC . . . . . . . . . . . . 52064 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52064 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pHTP8 . . . 52064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52064 _Sample.ID 1 _Sample.Name NS-Tir _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM HEPES pH=6.5, 150mM NaCl, 1mM EDTA, 8%D2O, 20uM DSS' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 NS-Tir '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 52064 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 52064 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52064 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52064 1 5 D2O 'natural abundance' . . . . . . 8 . . % . . . . 52064 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 52064 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52064 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR conditions' _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' 150 . mM 52064 1 pH 6.5 . pH 52064 1 pressure 1 . atm 52064 1 temperature 288 . K 52064 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52064 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52064 1 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 52064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52064 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 2 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 3 '3D HN(CO)CA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 4 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 5 '3D HN(CA)CO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 6 '3D HNCACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 7 '3D HN(CO)CACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 8 '2D 1H-15N TROSY' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 9 '3D H(CCO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52064 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' HSQC . 'Time-domain (raw spectral data)' . . 52064 1 2 '3D HNCA' HNCA.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 3 '3D HN(CO)CA' HNCOCA.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 4 '3D HNCO' HNCO.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 5 '3D HN(CA)CO' HNCACO.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 6 '3D HNCACB' HNCACB.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 7 '3D HN(CO)CACB' HNCOCACB.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 8 '2D 1H-15N TROSY' BTROSY . 'Time-domain (raw spectral data)' . . 52064 1 9 '3D H(CCO)NH' HCCCONH_carbon.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 9 '3D H(CCO)NH' HCCCONH_proton.ft3 . 'Time-domain (raw spectral data)' . . 52064 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52064 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site qMD _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 52064 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbon . . . . ppm 0.3 internal direct 1 . . . . . 52064 1 H 1 DSS 'methyl protons' . . . . ppm 0.02 internal direct 1 . . . . . 52064 1 N 15 DSS nitrogen . . . . ppm 0.3 internal direct 1 . . . . . 52064 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 52064 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NS-Tir _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 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52064 1 2 '3D HNCA' . . . 52064 1 3 '3D HN(CO)CA' . . . 52064 1 4 '3D HNCO' . . . 52064 1 5 '3D HN(CA)CO' . . . 52064 1 6 '3D HNCACB' . . . 52064 1 7 '3D HN(CO)CACB' . . . 52064 1 8 '2D 1H-15N TROSY' . . . 52064 1 9 '3D H(CCO)NH' . . . 52064 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52064 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.877 0.020 . 1 . . . . . 60 GLY HA2 . 52064 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.877 0.020 . 1 . . . . . 60 GLY HA3 . 52064 1 3 . 1 . 1 1 1 GLY C C 13 179.251 0.3 . 1 . . . . . 60 GLY C . 52064 1 4 . 1 . 1 1 1 GLY CA C 13 42.856 0.3 . 1 . . . . . 60 GLY CA . 52064 1 5 . 1 . 1 2 2 VAL H H 1 8.446 0.020 . 1 . . . . . 61 VAL H . 52064 1 6 . 1 . 1 2 2 VAL HA H 1 4.144 0.020 . 1 . . . . . 61 VAL HA . 52064 1 7 . 1 . 1 2 2 VAL HB H 1 2.119 0.020 . 1 . . . . . 61 VAL HB . 52064 1 8 . 1 . 1 2 2 VAL HG11 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG1 . 52064 1 9 . 1 . 1 2 2 VAL HG12 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG1 . 52064 1 10 . 1 . 1 2 2 VAL HG13 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG1 . 52064 1 11 . 1 . 1 2 2 VAL HG21 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG2 . 52064 1 12 . 1 . 1 2 2 VAL HG22 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG2 . 52064 1 13 . 1 . 1 2 2 VAL HG23 H 1 0.910 0.020 . 1 . . . . . 61 VAL HG2 . 52064 1 14 . 1 . 1 2 2 VAL C C 13 175.790 0.3 . 1 . . . . . 61 VAL C . 52064 1 15 . 1 . 1 2 2 VAL CA C 13 62.332 0.3 . 1 . . . . . 61 VAL CA . 52064 1 16 . 1 . 1 2 2 VAL CB C 13 32.621 0.3 . 1 . . . . . 61 VAL CB . 52064 1 17 . 1 . 1 2 2 VAL CG1 C 13 20.838 0.3 . 1 . . . . . 61 VAL CG1 . 52064 1 18 . 1 . 1 2 2 VAL CG2 C 13 20.137 0.3 . 1 . . . . . 61 VAL CG2 . 52064 1 19 . 1 . 1 2 2 VAL N N 15 118.891 0.3 . 1 . . . . . 61 VAL N . 52064 1 20 . 1 . 1 3 3 ASP H H 1 8.474 0.020 . 1 . . . . . 62 ASP H . 52064 1 21 . 1 . 1 3 3 ASP HA H 1 4.569 0.020 . 1 . . . . . 62 ASP HA . 52064 1 22 . 1 . 1 3 3 ASP HB2 H 1 2.661 0.020 . 1 . . . . . 62 ASP HB2 . 52064 1 23 . 1 . 1 3 3 ASP HB3 H 1 2.661 0.020 . 1 . . . . . 62 ASP HB3 . 52064 1 24 . 1 . 1 3 3 ASP C C 13 176.292 0.3 . 1 . . . . . 62 ASP C . 52064 1 25 . 1 . 1 3 3 ASP CA C 13 54.031 0.3 . 1 . . . . . 62 ASP CA . 52064 1 26 . 1 . 1 3 3 ASP CB C 13 40.952 0.3 . 1 . . . . . 62 ASP CB . 52064 1 27 . 1 . 1 3 3 ASP N N 15 123.825 0.3 . 1 . . . . . 62 ASP N . 52064 1 28 . 1 . 1 4 4 SER H H 1 8.198 0.020 . 1 . . . . . 63 SER H . 52064 1 29 . 1 . 1 4 4 SER HA H 1 4.298 0.020 . 1 . . . . . 63 SER HA . 52064 1 30 . 1 . 1 4 4 SER HB2 H 1 3.870 0.020 . 1 . . . . . 63 SER HB2 . 52064 1 31 . 1 . 1 4 4 SER HB3 H 1 3.870 0.020 . 1 . . . . . 63 SER HB3 . 52064 1 32 . 1 . 1 4 4 SER C C 13 174.611 0.3 . 1 . . . . . 63 SER C . 52064 1 33 . 1 . 1 4 4 SER CA C 13 58.573 0.3 . 1 . . . . . 63 SER CA . 52064 1 34 . 1 . 1 4 4 SER CB C 13 63.067 0.3 . 1 . . . . . 63 SER CB . 52064 1 35 . 1 . 1 4 4 SER N N 15 117.185 0.3 . 1 . . . . . 63 SER N . 52064 1 36 . 1 . 1 5 5 ARG H H 1 8.320 0.020 . 1 . . . . . 64 ARG H . 52064 1 37 . 1 . 1 5 5 ARG HA H 1 4.225 0.020 . 1 . . . . . 64 ARG HA . 52064 1 38 . 1 . 1 5 5 ARG HB2 H 1 1.780 0.020 . 1 . . . . . 64 ARG HB2 . 52064 1 39 . 1 . 1 5 5 ARG HB3 H 1 1.780 0.020 . 1 . . . . . 64 ARG HB3 . 52064 1 40 . 1 . 1 5 5 ARG HG2 H 1 1.644 0.020 . 1 . . . . . 64 ARG HG2 . 52064 1 41 . 1 . 1 5 5 ARG HG3 H 1 1.644 0.020 . 1 . . . . . 64 ARG HG3 . 52064 1 42 . 1 . 1 5 5 ARG HD2 H 1 3.182 0.020 . 1 . . . . . 64 ARG HD2 . 52064 1 43 . 1 . 1 5 5 ARG HD3 H 1 3.182 0.020 . 1 . . . . . 64 ARG HD3 . 52064 1 44 . 1 . 1 5 5 ARG C C 13 175.962 0.3 . 1 . . . . . 64 ARG C . 52064 1 45 . 1 . 1 5 5 ARG CA C 13 56.225 0.3 . 1 . . . . . 64 ARG CA . 52064 1 46 . 1 . 1 5 5 ARG CB C 13 30.415 0.3 . 1 . . . . . 64 ARG CB . 52064 1 47 . 1 . 1 5 5 ARG CG C 13 26.834 0.3 . 1 . . . . . 64 ARG CG . 52064 1 48 . 1 . 1 5 5 ARG CD C 13 43.163 0.3 . 1 . . . . . 64 ARG CD . 52064 1 49 . 1 . 1 5 5 ARG N N 15 122.289 0.3 . 1 . . . . . 64 ARG N . 52064 1 50 . 1 . 1 6 6 ASP H H 1 8.177 0.020 . 1 . . . . . 65 ASP H . 52064 1 51 . 1 . 1 6 6 ASP HA H 1 4.520 0.020 . 1 . . . . . 65 ASP HA . 52064 1 52 . 1 . 1 6 6 ASP HB2 H 1 2.577 0.020 . 1 . . . . . 65 ASP HB2 . 52064 1 53 . 1 . 1 6 6 ASP HB3 H 1 2.577 0.020 . 1 . . . . . 65 ASP HB3 . 52064 1 54 . 1 . 1 6 6 ASP C C 13 175.585 0.3 . 1 . . . . . 65 ASP C . 52064 1 55 . 1 . 1 6 6 ASP CA C 13 54.184 0.3 . 1 . . . . . 65 ASP CA . 52064 1 56 . 1 . 1 6 6 ASP CB C 13 40.768 0.3 . 1 . . . . . 65 ASP CB . 52064 1 57 . 1 . 1 6 6 ASP N N 15 120.834 0.3 . 1 . . . . . 65 ASP N . 52064 1 58 . 1 . 1 7 7 ILE H H 1 7.925 0.020 . 1 . . . . . 66 ILE H . 52064 1 59 . 1 . 1 7 7 ILE HA H 1 4.348 0.020 . 1 . . . . . 66 ILE HA . 52064 1 60 . 1 . 1 7 7 ILE C C 13 176.035 0.3 . 1 . . . . . 66 ILE C . 52064 1 61 . 1 . 1 7 7 ILE CA C 13 58.547 0.3 . 1 . . . . . 66 ILE CA . 52064 1 62 . 1 . 1 7 7 ILE CB C 13 38.195 0.3 . 1 . . . . . 66 ILE CB . 52064 1 63 . 1 . 1 7 7 ILE N N 15 122.617 0.3 . 1 . . . . . 66 ILE N . 52064 1 64 . 1 . 1 8 8 PRO HA H 1 4.376 0.020 . 1 . . . . . 67 PRO HA . 52064 1 65 . 1 . 1 8 8 PRO HB2 H 1 2.266 0.020 . 1 . . . . . 67 PRO HB2 . 52064 1 66 . 1 . 1 8 8 PRO HB3 H 1 2.266 0.020 . 1 . . . . . 67 PRO HB3 . 52064 1 67 . 1 . 1 8 8 PRO HG2 H 1 1.921 0.020 . 1 . . . . . 67 PRO HG2 . 52064 1 68 . 1 . 1 8 8 PRO HG3 H 1 1.921 0.020 . 1 . . . . . 67 PRO HG3 . 52064 1 69 . 1 . 1 8 8 PRO C C 13 177.349 0.3 . 1 . . . . . 67 PRO C . 52064 1 70 . 1 . 1 8 8 PRO CA C 13 63.370 0.3 . 1 . . . . . 67 PRO CA . 52064 1 71 . 1 . 1 8 8 PRO CB C 13 31.947 0.3 . 1 . . . . . 67 PRO CB . 52064 1 72 . 1 . 1 8 8 PRO CG C 13 27.379 0.3 . 1 . . . . . 67 PRO CG . 52064 1 73 . 1 . 1 9 9 GLY H H 1 8.324 0.020 . 1 . . . . . 68 GLY H . 52064 1 74 . 1 . 1 9 9 GLY HA2 H 1 3.831 0.020 . 1 . . . . . 68 GLY HA2 . 52064 1 75 . 1 . 1 9 9 GLY HA3 H 1 3.831 0.020 . 1 . . . . . 68 GLY HA3 . 52064 1 76 . 1 . 1 9 9 GLY C C 13 173.793 0.3 . 1 . . . . . 68 GLY C . 52064 1 77 . 1 . 1 9 9 GLY CA C 13 44.897 0.3 . 1 . . . . . 68 GLY CA . 52064 1 78 . 1 . 1 9 9 GLY N N 15 108.980 0.3 . 1 . . . . . 68 GLY N . 52064 1 79 . 1 . 1 10 10 LEU H H 1 7.942 0.020 . 1 . . . . . 69 LEU H . 52064 1 80 . 1 . 1 10 10 LEU HA H 1 4.545 0.020 . 1 . . . . . 69 LEU HA . 52064 1 81 . 1 . 1 10 10 LEU C C 13 175.456 0.3 . 1 . . . . . 69 LEU C . 52064 1 82 . 1 . 1 10 10 LEU CA C 13 52.857 0.3 . 1 . . . . . 69 LEU CA . 52064 1 83 . 1 . 1 10 10 LEU CB C 13 41.503 0.3 . 1 . . . . . 69 LEU CB . 52064 1 84 . 1 . 1 10 10 LEU N N 15 122.782 0.3 . 1 . . . . . 69 LEU N . 52064 1 85 . 1 . 1 11 11 PRO HA H 1 4.482 0.020 . 1 . . . . . 70 PRO HA . 52064 1 86 . 1 . 1 11 11 PRO HB2 H 1 2.281 0.020 . 1 . . . . . 70 PRO HB2 . 52064 1 87 . 1 . 1 11 11 PRO HB3 H 1 2.281 0.020 . 1 . . . . . 70 PRO HB3 . 52064 1 88 . 1 . 1 11 11 PRO HG2 H 1 1.950 0.020 . 1 . . . . . 70 PRO HG2 . 52064 1 89 . 1 . 1 11 11 PRO HG3 H 1 1.950 0.020 . 1 . . . . . 70 PRO HG3 . 52064 1 90 . 1 . 1 11 11 PRO HD2 H 1 3.654 0.020 . 1 . . . . . 70 PRO HD2 . 52064 1 91 . 1 . 1 11 11 PRO HD3 H 1 3.654 0.020 . 1 . . . . . 70 PRO HD3 . 52064 1 92 . 1 . 1 11 11 PRO C C 13 176.972 0.3 . 1 . . . . . 70 PRO C . 52064 1 93 . 1 . 1 11 11 PRO CA C 13 63.063 0.3 . 1 . . . . . 70 PRO CA . 52064 1 94 . 1 . 1 11 11 PRO CB C 13 31.824 0.3 . 1 . . . . . 70 PRO CB . 52064 1 95 . 1 . 1 11 11 PRO CG C 13 27.383 0.3 . 1 . . . . . 70 PRO CG . 52064 1 96 . 1 . 1 12 12 THR H H 1 8.081 0.020 . 1 . . . . . 71 THR H . 52064 1 97 . 1 . 1 12 12 THR HA H 1 4.151 0.020 . 1 . . . . . 71 THR HA . 52064 1 98 . 1 . 1 12 12 THR C C 13 174.115 0.3 . 1 . . . . . 71 THR C . 52064 1 99 . 1 . 1 12 12 THR CA C 13 61.711 0.3 . 1 . . . . . 71 THR CA . 52064 1 100 . 1 . 1 12 12 THR CB C 13 69.622 0.3 . 1 . . . . . 71 THR CB . 52064 1 101 . 1 . 1 12 12 THR CG2 C 13 21.654 0.3 . 1 . . . . . 71 THR CG2 . 52064 1 102 . 1 . 1 12 12 THR N N 15 114.007 0.3 . 1 . . . . . 71 THR N . 52064 1 103 . 1 . 1 13 13 ASN H H 1 8.340 0.020 . 1 . . . . . 72 ASN H . 52064 1 104 . 1 . 1 13 13 ASN HA H 1 4.891 0.020 . 1 . . . . . 72 ASN HA . 52064 1 105 . 1 . 1 13 13 ASN C C 13 173.435 0.3 . 1 . . . . . 72 ASN C . 52064 1 106 . 1 . 1 13 13 ASN CA C 13 51.199 0.3 . 1 . . . . . 72 ASN CA . 52064 1 107 . 1 . 1 13 13 ASN CB C 13 38.685 0.3 . 1 . . . . . 72 ASN CB . 52064 1 108 . 1 . 1 13 13 ASN N N 15 121.773 0.3 . 1 . . . . . 72 ASN N . 52064 1 109 . 1 . 1 14 14 PRO HA H 1 4.399 0.020 . 1 . . . . . 73 PRO HA . 52064 1 110 . 1 . 1 14 14 PRO HB2 H 1 2.275 0.020 . 1 . . . . . 73 PRO HB2 . 52064 1 111 . 1 . 1 14 14 PRO HB3 H 1 2.275 0.020 . 1 . . . . . 73 PRO HB3 . 52064 1 112 . 1 . 1 14 14 PRO HG2 H 1 1.981 0.020 . 1 . . . . . 73 PRO HG2 . 52064 1 113 . 1 . 1 14 14 PRO HG3 H 1 1.981 0.020 . 1 . . . . . 73 PRO HG3 . 52064 1 114 . 1 . 1 14 14 PRO HD2 H 1 3.762 0.020 . 1 . . . . . 73 PRO HD2 . 52064 1 115 . 1 . 1 14 14 PRO HD3 H 1 3.762 0.020 . 1 . . . . . 73 PRO HD3 . 52064 1 116 . 1 . 1 14 14 PRO C C 13 177.193 0.3 . 1 . . . . . 73 PRO C . 52064 1 117 . 1 . 1 14 14 PRO CA C 13 63.574 0.3 . 1 . . . . . 73 PRO CA . 52064 1 118 . 1 . 1 14 14 PRO CB C 13 31.763 0.3 . 1 . . . . . 73 PRO CB . 52064 1 119 . 1 . 1 14 14 PRO CG C 13 27.174 0.3 . 1 . . . . . 73 PRO CG . 52064 1 120 . 1 . 1 14 14 PRO CD C 13 50.797 0.3 . 1 . . . . . 73 PRO CD . 52064 1 121 . 1 . 1 15 15 SER H H 1 8.265 0.020 . 1 . . . . . 74 SER H . 52064 1 122 . 1 . 1 15 15 SER HA H 1 4.311 0.020 . 1 . . . . . 74 SER HA . 52064 1 123 . 1 . 1 15 15 SER HB2 H 1 3.864 0.020 . 1 . . . . . 74 SER HB2 . 52064 1 124 . 1 . 1 15 15 SER HB3 H 1 3.864 0.020 . 1 . . . . . 74 SER HB3 . 52064 1 125 . 1 . 1 15 15 SER C C 13 174.776 0.3 . 1 . . . . . 74 SER C . 52064 1 126 . 1 . 1 15 15 SER CA C 13 58.726 0.3 . 1 . . . . . 74 SER CA . 52064 1 127 . 1 . 1 15 15 SER CB C 13 62.944 0.3 . 1 . . . . . 74 SER CB . 52064 1 128 . 1 . 1 15 15 SER N N 15 115.504 0.3 . 1 . . . . . 74 SER N . 52064 1 129 . 1 . 1 16 16 ARG H H 1 8.126 0.020 . 1 . . . . . 75 ARG H . 52064 1 130 . 1 . 1 16 16 ARG HA H 1 4.249 0.020 . 1 . . . . . 75 ARG HA . 52064 1 131 . 1 . 1 16 16 ARG HB2 H 1 1.817 0.020 . 1 . . . . . 75 ARG HB2 . 52064 1 132 . 1 . 1 16 16 ARG HB3 H 1 1.817 0.020 . 1 . . . . . 75 ARG HB3 . 52064 1 133 . 1 . 1 16 16 ARG HG2 H 1 1.626 0.020 . 1 . . . . . 75 ARG HG2 . 52064 1 134 . 1 . 1 16 16 ARG HG3 H 1 1.626 0.020 . 1 . . . . . 75 ARG HG3 . 52064 1 135 . 1 . 1 16 16 ARG HD2 H 1 3.165 0.020 . 1 . . . . . 75 ARG HD2 . 52064 1 136 . 1 . 1 16 16 ARG HD3 H 1 3.165 0.020 . 1 . . . . . 75 ARG HD3 . 52064 1 137 . 1 . 1 16 16 ARG C C 13 176.228 0.3 . 1 . . . . . 75 ARG C . 52064 1 138 . 1 . 1 16 16 ARG CA C 13 56.174 0.3 . 1 . . . . . 75 ARG CA . 52064 1 139 . 1 . 1 16 16 ARG CB C 13 30.354 0.3 . 1 . . . . . 75 ARG CB . 52064 1 140 . 1 . 1 16 16 ARG CG C 13 26.981 0.3 . 1 . . . . . 75 ARG CG . 52064 1 141 . 1 . 1 16 16 ARG CD C 13 43.146 0.3 . 1 . . . . . 75 ARG CD . 52064 1 142 . 1 . 1 16 16 ARG N N 15 122.702 0.3 . 1 . . . . . 75 ARG N . 52064 1 143 . 1 . 1 17 17 LEU H H 1 8.026 0.020 . 1 . . . . . 76 LEU H . 52064 1 144 . 1 . 1 17 17 LEU HA H 1 4.237 0.020 . 1 . . . . . 76 LEU HA . 52064 1 145 . 1 . 1 17 17 LEU HB2 H 1 1.580 0.020 . 1 . . . . . 76 LEU HB2 . 52064 1 146 . 1 . 1 17 17 LEU HB3 H 1 1.580 0.020 . 1 . . . . . 76 LEU HB3 . 52064 1 147 . 1 . 1 17 17 LEU HD11 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD1 . 52064 1 148 . 1 . 1 17 17 LEU HD12 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD1 . 52064 1 149 . 1 . 1 17 17 LEU HD13 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD1 . 52064 1 150 . 1 . 1 17 17 LEU HD21 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD2 . 52064 1 151 . 1 . 1 17 17 LEU HD22 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD2 . 52064 1 152 . 1 . 1 17 17 LEU HD23 H 1 0.862 0.020 . 1 . . . . . 76 LEU HD2 . 52064 1 153 . 1 . 1 17 17 LEU C C 13 177.138 0.3 . 1 . . . . . 76 LEU C . 52064 1 154 . 1 . 1 17 17 LEU CA C 13 55.205 0.3 . 1 . . . . . 76 LEU CA . 52064 1 155 . 1 . 1 17 17 LEU CB C 13 41.979 0.3 . 1 . . . . . 76 LEU CB . 52064 1 156 . 1 . 1 17 17 LEU CG C 13 26.834 0.3 . 1 . . . . . 76 LEU CG . 52064 1 157 . 1 . 1 17 17 LEU CD1 C 13 24.689 0.3 . 1 . . . . . 76 LEU CD1 . 52064 1 158 . 1 . 1 17 17 LEU CD2 C 13 23.302 0.3 . 1 . . . . . 76 LEU CD2 . 52064 1 159 . 1 . 1 17 17 LEU N N 15 122.667 0.3 . 1 . . . . . 76 LEU N . 52064 1 160 . 1 . 1 18 18 ALA H H 1 8.092 0.020 . 1 . . . . . 77 ALA H . 52064 1 161 . 1 . 1 18 18 ALA HA H 1 4.188 0.020 . 1 . . . . . 77 ALA HA . 52064 1 162 . 1 . 1 18 18 ALA HB1 H 1 1.361 0.020 . 1 . . . . . 77 ALA HB . 52064 1 163 . 1 . 1 18 18 ALA HB2 H 1 1.361 0.020 . 1 . . . . . 77 ALA HB . 52064 1 164 . 1 . 1 18 18 ALA HB3 H 1 1.361 0.020 . 1 . . . . . 77 ALA HB . 52064 1 165 . 1 . 1 18 18 ALA C C 13 177.377 0.3 . 1 . . . . . 77 ALA C . 52064 1 166 . 1 . 1 18 18 ALA CA C 13 52.449 0.3 . 1 . . . . . 77 ALA CA . 52064 1 167 . 1 . 1 18 18 ALA CB C 13 18.774 0.3 . 1 . . . . . 77 ALA CB . 52064 1 168 . 1 . 1 18 18 ALA N N 15 124.611 0.3 . 1 . . . . . 77 ALA N . 52064 1 169 . 1 . 1 19 19 ALA H H 1 8.056 0.020 . 1 . . . . . 78 ALA H . 52064 1 170 . 1 . 1 19 19 ALA HA H 1 4.188 0.020 . 1 . . . . . 78 ALA HA . 52064 1 171 . 1 . 1 19 19 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 78 ALA HB . 52064 1 172 . 1 . 1 19 19 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 78 ALA HB . 52064 1 173 . 1 . 1 19 19 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 78 ALA HB . 52064 1 174 . 1 . 1 19 19 ALA C C 13 177.505 0.3 . 1 . . . . . 78 ALA C . 52064 1 175 . 1 . 1 19 19 ALA CA C 13 52.118 0.3 . 1 . . . . . 78 ALA CA . 52064 1 176 . 1 . 1 19 19 ALA CB C 13 19.122 0.3 . 1 . . . . . 78 ALA CB . 52064 1 177 . 1 . 1 19 19 ALA N N 15 122.928 0.3 . 1 . . . . . 78 ALA N . 52064 1 178 . 1 . 1 20 20 ALA H H 1 8.175 0.020 . 1 . . . . . 79 ALA H . 52064 1 179 . 1 . 1 20 20 ALA HA H 1 4.298 0.020 . 1 . . . . . 79 ALA HA . 52064 1 180 . 1 . 1 20 20 ALA HB1 H 1 1.404 0.020 . 1 . . . . . 79 ALA HB . 52064 1 181 . 1 . 1 20 20 ALA HB2 H 1 1.404 0.020 . 1 . . . . . 79 ALA HB . 52064 1 182 . 1 . 1 20 20 ALA HB3 H 1 1.404 0.020 . 1 . . . . . 79 ALA HB . 52064 1 183 . 1 . 1 20 20 ALA C C 13 177.974 0.3 . 1 . . . . . 79 ALA C . 52064 1 184 . 1 . 1 20 20 ALA CA C 13 52.653 0.3 . 1 . . . . . 79 ALA CA . 52064 1 185 . 1 . 1 20 20 ALA CB C 13 18.958 0.3 . 1 . . . . . 79 ALA CB . 52064 1 186 . 1 . 1 20 20 ALA N N 15 123.183 0.3 . 1 . . . . . 79 ALA N . 52064 1 187 . 1 . 1 21 21 THR H H 1 8.016 0.020 . 1 . . . . . 80 THR H . 52064 1 188 . 1 . 1 21 21 THR HA H 1 4.296 0.020 . 1 . . . . . 80 THR HA . 52064 1 189 . 1 . 1 21 21 THR HG21 H 1 1.195 0.020 . 1 . . . . . 80 THR HG2 . 52064 1 190 . 1 . 1 21 21 THR HG22 H 1 1.195 0.020 . 1 . . . . . 80 THR HG2 . 52064 1 191 . 1 . 1 21 21 THR HG23 H 1 1.195 0.020 . 1 . . . . . 80 THR HG2 . 52064 1 192 . 1 . 1 21 21 THR C C 13 174.643 0.3 . 1 . . . . . 80 THR C . 52064 1 193 . 1 . 1 21 21 THR CA C 13 61.609 0.3 . 1 . . . . . 80 THR CA . 52064 1 194 . 1 . 1 21 21 THR CB C 13 69.805 0.3 . 1 . . . . . 80 THR CB . 52064 1 195 . 1 . 1 21 21 THR CG2 C 13 21.571 0.3 . 1 . . . . . 80 THR CG2 . 52064 1 196 . 1 . 1 21 21 THR N N 15 112.743 0.3 . 1 . . . . . 80 THR N . 52064 1 197 . 1 . 1 22 22 SER H H 1 8.224 0.020 . 1 . . . . . 81 SER H . 52064 1 198 . 1 . 1 22 22 SER HA H 1 4.360 0.020 . 1 . . . . . 81 SER HA . 52064 1 199 . 1 . 1 22 22 SER HB2 H 1 3.873 0.020 . 1 . . . . . 81 SER HB2 . 52064 1 200 . 1 . 1 22 22 SER HB3 H 1 3.873 0.020 . 1 . . . . . 81 SER HB3 . 52064 1 201 . 1 . 1 22 22 SER C C 13 174.638 0.3 . 1 . . . . . 81 SER C . 52064 1 202 . 1 . 1 22 22 SER CA C 13 58.445 0.3 . 1 . . . . . 81 SER CA . 52064 1 203 . 1 . 1 22 22 SER CB C 13 63.557 0.3 . 1 . . . . . 81 SER CB . 52064 1 204 . 1 . 1 22 22 SER N N 15 117.521 0.3 . 1 . . . . . 81 SER N . 52064 1 205 . 1 . 1 23 23 GLU H H 1 8.432 0.020 . 1 . . . . . 82 GLU H . 52064 1 206 . 1 . 1 23 23 GLU HA H 1 4.261 0.020 . 1 . . . . . 82 GLU HA . 52064 1 207 . 1 . 1 23 23 GLU HB2 H 1 1.984 0.020 . 1 . . . . . 82 GLU HB2 . 52064 1 208 . 1 . 1 23 23 GLU HB3 H 1 1.984 0.020 . 1 . . . . . 82 GLU HB3 . 52064 1 209 . 1 . 1 23 23 GLU HG2 H 1 2.268 0.020 . 1 . . . . . 82 GLU HG2 . 52064 1 210 . 1 . 1 23 23 GLU HG3 H 1 2.268 0.020 . 1 . . . . . 82 GLU HG3 . 52064 1 211 . 1 . 1 23 23 GLU C C 13 176.798 0.3 . 1 . . . . . 82 GLU C . 52064 1 212 . 1 . 1 23 23 GLU CA C 13 56.888 0.3 . 1 . . . . . 82 GLU CA . 52064 1 213 . 1 . 1 23 23 GLU CB C 13 29.741 0.3 . 1 . . . . . 82 GLU CB . 52064 1 214 . 1 . 1 23 23 GLU CG C 13 36.231 0.3 . 1 . . . . . 82 GLU CG . 52064 1 215 . 1 . 1 23 23 GLU N N 15 122.662 0.3 . 1 . . . . . 82 GLU N . 52064 1 216 . 1 . 1 24 24 THR H H 1 8.076 0.020 . 1 . . . . . 83 THR H . 52064 1 217 . 1 . 1 24 24 THR HA H 1 4.202 0.020 . 1 . . . . . 83 THR HA . 52064 1 218 . 1 . 1 24 24 THR HG21 H 1 1.181 0.020 . 1 . . . . . 83 THR HG2 . 52064 1 219 . 1 . 1 24 24 THR HG22 H 1 1.181 0.020 . 1 . . . . . 83 THR HG2 . 52064 1 220 . 1 . 1 24 24 THR HG23 H 1 1.181 0.020 . 1 . . . . . 83 THR HG2 . 52064 1 221 . 1 . 1 24 24 THR C C 13 174.547 0.3 . 1 . . . . . 83 THR C . 52064 1 222 . 1 . 1 24 24 THR CA C 13 62.247 0.3 . 1 . . . . . 83 THR CA . 52064 1 223 . 1 . 1 24 24 THR CB C 13 69.315 0.3 . 1 . . . . . 83 THR CB . 52064 1 224 . 1 . 1 24 24 THR CG2 C 13 21.553 0.3 . 1 . . . . . 83 THR CG2 . 52064 1 225 . 1 . 1 24 24 THR N N 15 114.607 0.3 . 1 . . . . . 83 THR N . 52064 1 226 . 1 . 1 25 25 CYS H H 1 8.248 0.020 . 1 . . . . . 84 CYS H . 52064 1 227 . 1 . 1 25 25 CYS HA H 1 4.409 0.020 . 1 . . . . . 84 CYS HA . 52064 1 228 . 1 . 1 25 25 CYS HB2 H 1 2.901 0.020 . 1 . . . . . 84 CYS HB2 . 52064 1 229 . 1 . 1 25 25 CYS HB3 H 1 2.901 0.020 . 1 . . . . . 84 CYS HB3 . 52064 1 230 . 1 . 1 25 25 CYS C C 13 174.445 0.3 . 1 . . . . . 84 CYS C . 52064 1 231 . 1 . 1 25 25 CYS CA C 13 58.592 0.3 . 1 . . . . . 84 CYS CA . 52064 1 232 . 1 . 1 25 25 CYS CB C 13 27.475 0.3 . 1 . . . . . 84 CYS CB . 52064 1 233 . 1 . 1 25 25 CYS N N 15 121.858 0.3 . 1 . . . . . 84 CYS N . 52064 1 234 . 1 . 1 26 26 LEU H H 1 8.245 0.020 . 1 . . . . . 85 LEU H . 52064 1 235 . 1 . 1 26 26 LEU HA H 1 4.261 0.020 . 1 . . . . . 85 LEU HA . 52064 1 236 . 1 . 1 26 26 LEU HB2 H 1 1.600 0.020 . 1 . . . . . 85 LEU HB2 . 52064 1 237 . 1 . 1 26 26 LEU HB3 H 1 1.600 0.020 . 1 . . . . . 85 LEU HB3 . 52064 1 238 . 1 . 1 26 26 LEU HD11 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD1 . 52064 1 239 . 1 . 1 26 26 LEU HD12 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD1 . 52064 1 240 . 1 . 1 26 26 LEU HD13 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD1 . 52064 1 241 . 1 . 1 26 26 LEU HD21 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD2 . 52064 1 242 . 1 . 1 26 26 LEU HD22 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD2 . 52064 1 243 . 1 . 1 26 26 LEU HD23 H 1 0.862 0.020 . 1 . . . . . 85 LEU HD2 . 52064 1 244 . 1 . 1 26 26 LEU C C 13 177.129 0.3 . 1 . . . . . 85 LEU C . 52064 1 245 . 1 . 1 26 26 LEU CA C 13 55.256 0.3 . 1 . . . . . 85 LEU CA . 52064 1 246 . 1 . 1 26 26 LEU CB C 13 41.932 0.3 . 1 . . . . . 85 LEU CB . 52064 1 247 . 1 . 1 26 26 LEU CD1 C 13 24.689 0.3 . 1 . . . . . 85 LEU CD1 . 52064 1 248 . 1 . 1 26 26 LEU CD2 C 13 23.176 0.3 . 1 . . . . . 85 LEU CD2 . 52064 1 249 . 1 . 1 26 26 LEU N N 15 124.891 0.3 . 1 . . . . . 85 LEU N . 52064 1 250 . 1 . 1 27 27 LEU H H 1 8.102 0.020 . 1 . . . . . 86 LEU H . 52064 1 251 . 1 . 1 27 27 LEU HA H 1 4.286 0.020 . 1 . . . . . 86 LEU HA . 52064 1 252 . 1 . 1 27 27 LEU HB2 H 1 1.640 0.020 . 1 . . . . . 86 LEU HB2 . 52064 1 253 . 1 . 1 27 27 LEU HB3 H 1 1.640 0.020 . 1 . . . . . 86 LEU HB3 . 52064 1 254 . 1 . 1 27 27 LEU HG H 1 1.640 0.020 . 1 . . . . . 86 LEU HG . 52064 1 255 . 1 . 1 27 27 LEU HD11 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD1 . 52064 1 256 . 1 . 1 27 27 LEU HD12 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD1 . 52064 1 257 . 1 . 1 27 27 LEU HD13 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD1 . 52064 1 258 . 1 . 1 27 27 LEU HD21 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD2 . 52064 1 259 . 1 . 1 27 27 LEU HD22 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD2 . 52064 1 260 . 1 . 1 27 27 LEU HD23 H 1 0.872 0.020 . 1 . . . . . 86 LEU HD2 . 52064 1 261 . 1 . 1 27 27 LEU C C 13 177.625 0.3 . 1 . . . . . 86 LEU C . 52064 1 262 . 1 . 1 27 27 LEU CA C 13 55.205 0.3 . 1 . . . . . 86 LEU CA . 52064 1 263 . 1 . 1 27 27 LEU CG C 13 26.666 0.3 . 1 . . . . . 86 LEU CG . 52064 1 264 . 1 . 1 27 27 LEU CD1 C 13 24.824 0.3 . 1 . . . . . 86 LEU CD1 . 52064 1 265 . 1 . 1 27 27 LEU CD2 C 13 23.317 0.3 . 1 . . . . . 86 LEU CD2 . 52064 1 266 . 1 . 1 27 27 LEU N N 15 122.539 0.3 . 1 . . . . . 86 LEU N . 52064 1 267 . 1 . 1 28 28 GLY H H 1 8.305 0.020 . 1 . . . . . 87 GLY H . 52064 1 268 . 1 . 1 28 28 GLY HA2 H 1 3.867 0.020 . 1 . . . . . 87 GLY HA2 . 52064 1 269 . 1 . 1 28 28 GLY HA3 H 1 3.867 0.020 . 1 . . . . . 87 GLY HA3 . 52064 1 270 . 1 . 1 28 28 GLY C C 13 173.876 0.3 . 1 . . . . . 87 GLY C . 52064 1 271 . 1 . 1 28 28 GLY CA C 13 45.280 0.3 . 1 . . . . . 87 GLY CA . 52064 1 272 . 1 . 1 28 28 GLY N N 15 109.327 0.3 . 1 . . . . . 87 GLY N . 52064 1 273 . 1 . 1 29 29 GLY HA2 H 1 3.864 0.020 . 1 . . . . . 88 GLY HA2 . 52064 1 274 . 1 . 1 29 29 GLY HA3 H 1 3.864 0.020 . 1 . . . . . 88 GLY HA3 . 52064 1 275 . 1 . 1 29 29 GLY C C 13 173.030 0.3 . 1 . . . . . 88 GLY C . 52064 1 276 . 1 . 1 29 29 GLY CA C 13 45.101 0.3 . 1 . . . . . 88 GLY CA . 52064 1 277 . 1 . 1 30 30 PHE H H 1 7.764 0.020 . 1 . . . . . 89 PHE H . 52064 1 278 . 1 . 1 30 30 PHE HA H 1 4.348 0.020 . 1 . . . . . 89 PHE HA . 52064 1 279 . 1 . 1 30 30 PHE C C 13 175.631 0.3 . 1 . . . . . 89 PHE C . 52064 1 280 . 1 . 1 30 30 PHE CA C 13 52.551 0.3 . 1 . . . . . 89 PHE CA . 52064 1 281 . 1 . 1 30 30 PHE CB C 13 42.667 0.3 . 1 . . . . . 89 PHE CB . 52064 1 282 . 1 . 1 30 30 PHE N N 15 120.941 0.3 . 1 . . . . . 89 PHE N . 52064 1 283 . 1 . 1 34 34 HIS C C 13 175.925 0.3 . 1 . . . . . 93 HIS C . 52064 1 284 . 1 . 1 34 34 HIS CA C 13 56.225 0.3 . 1 . . . . . 93 HIS CA . 52064 1 285 . 1 . 1 34 34 HIS CB C 13 30.415 0.3 . 1 . . . . . 93 HIS CB . 52064 1 286 . 1 . 1 35 35 ASP H H 1 8.154 0.020 . 1 . . . . . 94 ASP H . 52064 1 287 . 1 . 1 35 35 ASP C C 13 174.574 0.3 . 1 . . . . . 94 ASP C . 52064 1 288 . 1 . 1 35 35 ASP CA C 13 54.388 0.3 . 1 . . . . . 94 ASP CA . 52064 1 289 . 1 . 1 35 35 ASP CB C 13 40.775 0.3 . 1 . . . . . 94 ASP CB . 52064 1 290 . 1 . 1 35 35 ASP N N 15 120.757 0.3 . 1 . . . . . 94 ASP N . 52064 1 291 . 1 . 1 36 36 LYS H H 1 7.692 0.020 . 1 . . . . . 95 LYS H . 52064 1 292 . 1 . 1 36 36 LYS HA H 1 4.200 0.020 . 1 . . . . . 95 LYS HA . 52064 1 293 . 1 . 1 36 36 LYS C C 13 174.905 0.3 . 1 . . . . . 95 LYS C . 52064 1 294 . 1 . 1 36 36 LYS CA C 13 57.782 0.3 . 1 . . . . . 95 LYS CA . 52064 1 295 . 1 . 1 36 36 LYS N N 15 120.226 0.3 . 1 . . . . . 95 LYS N . 52064 1 296 . 1 . 1 44 44 THR HA H 1 4.340 0.020 . 1 . . . . . 103 THR HA . 52064 1 297 . 1 . 1 44 44 THR HG21 H 1 1.171 0.020 . 1 . . . . . 103 THR HG2 . 52064 1 298 . 1 . 1 44 44 THR HG22 H 1 1.171 0.020 . 1 . . . . . 103 THR HG2 . 52064 1 299 . 1 . 1 44 44 THR HG23 H 1 1.171 0.020 . 1 . . . . . 103 THR HG2 . 52064 1 300 . 1 . 1 44 44 THR C C 13 175.254 0.3 . 1 . . . . . 103 THR C . 52064 1 301 . 1 . 1 44 44 THR CA C 13 66.584 0.3 . 1 . . . . . 103 THR CA . 52064 1 302 . 1 . 1 44 44 THR CB C 13 68.519 0.3 . 1 . . . . . 103 THR CB . 52064 1 303 . 1 . 1 44 44 THR CG2 C 13 21.017 0.3 . 1 . . . . . 103 THR CG2 . 52064 1 304 . 1 . 1 45 45 GLN H H 1 7.426 0.020 . 1 . . . . . 104 GLN H . 52064 1 305 . 1 . 1 45 45 GLN HA H 1 4.175 0.020 . 1 . . . . . 104 GLN HA . 52064 1 306 . 1 . 1 45 45 GLN C C 13 177.726 0.3 . 1 . . . . . 104 GLN C . 52064 1 307 . 1 . 1 45 45 GLN CA C 13 58.406 0.3 . 1 . . . . . 104 GLN CA . 52064 1 308 . 1 . 1 45 45 GLN CB C 13 30.722 0.3 . 1 . . . . . 104 GLN CB . 52064 1 309 . 1 . 1 45 45 GLN N N 15 117.701 0.3 . 1 . . . . . 104 GLN N . 52064 1 310 . 1 . 1 46 46 ILE H H 1 8.448 0.020 . 1 . . . . . 105 ILE H . 52064 1 311 . 1 . 1 46 46 ILE HA H 1 4.522 0.020 . 1 . . . . . 105 ILE HA . 52064 1 312 . 1 . 1 46 46 ILE HB H 1 2.277 0.020 . 1 . . . . . 105 ILE HB . 52064 1 313 . 1 . 1 46 46 ILE HD11 H 1 0.671 0.020 . 1 . . . . . 105 ILE HD1 . 52064 1 314 . 1 . 1 46 46 ILE HD12 H 1 0.671 0.020 . 1 . . . . . 105 ILE HD1 . 52064 1 315 . 1 . 1 46 46 ILE HD13 H 1 0.671 0.020 . 1 . . . . . 105 ILE HD1 . 52064 1 316 . 1 . 1 46 46 ILE C C 13 177.616 0.3 . 1 . . . . . 105 ILE C . 52064 1 317 . 1 . 1 46 46 ILE CA C 13 61.583 0.3 . 1 . . . . . 105 ILE CA . 52064 1 318 . 1 . 1 46 46 ILE CB C 13 39.114 0.3 . 1 . . . . . 105 ILE CB . 52064 1 319 . 1 . 1 46 46 ILE N N 15 109.233 0.3 . 1 . . . . . 105 ILE N . 52064 1 320 . 1 . 1 47 47 GLY H H 1 8.615 0.020 . 1 . . . . . 106 GLY H . 52064 1 321 . 1 . 1 47 47 GLY HA2 H 1 3.597 0.020 . 1 . . . . . 106 GLY HA2 . 52064 1 322 . 1 . 1 47 47 GLY HA3 H 1 3.597 0.020 . 1 . . . . . 106 GLY HA3 . 52064 1 323 . 1 . 1 47 47 GLY CA C 13 45.024 0.3 . 1 . . . . . 106 GLY CA . 52064 1 324 . 1 . 1 47 47 GLY N N 15 116.770 0.3 . 1 . . . . . 106 GLY N . 52064 1 325 . 1 . 1 48 48 PRO HA H 1 4.770 0.020 . 1 . . . . . 107 PRO HA . 52064 1 326 . 1 . 1 48 48 PRO C C 13 175.438 0.3 . 1 . . . . . 107 PRO C . 52064 1 327 . 1 . 1 48 48 PRO CA C 13 62.374 0.3 . 1 . . . . . 107 PRO CA . 52064 1 328 . 1 . 1 48 48 PRO CB C 13 27.597 0.3 . 1 . . . . . 107 PRO CB . 52064 1 329 . 1 . 1 49 49 SER H H 1 8.723 0.020 . 1 . . . . . 108 SER H . 52064 1 330 . 1 . 1 49 49 SER HA H 1 4.914 0.020 . 1 . . . . . 108 SER HA . 52064 1 331 . 1 . 1 49 49 SER C C 13 172.879 0.3 . 1 . . . . . 108 SER C . 52064 1 332 . 1 . 1 49 49 SER CA C 13 57.067 0.3 . 1 . . . . . 108 SER CA . 52064 1 333 . 1 . 1 49 49 SER CB C 13 66.436 0.3 . 1 . . . . . 108 SER CB . 52064 1 334 . 1 . 1 49 49 SER N N 15 119.512 0.3 . 1 . . . . . 108 SER N . 52064 1 335 . 1 . 1 50 50 ALA H H 1 8.228 0.020 . 1 . . . . . 109 ALA H . 52064 1 336 . 1 . 1 50 50 ALA HB1 H 1 1.511 0.020 . 1 . . . . . 109 ALA HB . 52064 1 337 . 1 . 1 50 50 ALA HB2 H 1 1.511 0.020 . 1 . . . . . 109 ALA HB . 52064 1 338 . 1 . 1 50 50 ALA HB3 H 1 1.511 0.020 . 1 . . . . . 109 ALA HB . 52064 1 339 . 1 . 1 50 50 ALA C C 13 177.211 0.3 . 1 . . . . . 109 ALA C . 52064 1 340 . 1 . 1 50 50 ALA CA C 13 51.709 0.3 . 1 . . . . . 109 ALA CA . 52064 1 341 . 1 . 1 50 50 ALA CB C 13 20.307 0.3 . 1 . . . . . 109 ALA CB . 52064 1 342 . 1 . 1 50 50 ALA N N 15 122.131 0.3 . 1 . . . . . 109 ALA N . 52064 1 343 . 1 . 1 51 51 PHE H H 1 8.682 0.020 . 1 . . . . . 110 PHE H . 52064 1 344 . 1 . 1 51 51 PHE HA H 1 5.209 0.020 . 1 . . . . . 110 PHE HA . 52064 1 345 . 1 . 1 51 51 PHE HB2 H 1 2.818 0.020 . 1 . . . . . 110 PHE HB2 . 52064 1 346 . 1 . 1 51 51 PHE HB3 H 1 2.818 0.020 . 1 . . . . . 110 PHE HB3 . 52064 1 347 . 1 . 1 51 51 PHE C C 13 180.942 0.3 . 1 . . . . . 110 PHE C . 52064 1 348 . 1 . 1 51 51 PHE CA C 13 56.404 0.3 . 1 . . . . . 110 PHE CA . 52064 1 349 . 1 . 1 51 51 PHE CB C 13 40.952 0.3 . 1 . . . . . 110 PHE CB . 52064 1 350 . 1 . 1 51 51 PHE N N 15 114.416 0.3 . 1 . . . . . 110 PHE N . 52064 1 351 . 1 . 1 52 52 ARG H H 1 8.946 0.020 . 1 . . . . . 111 ARG H . 52064 1 352 . 1 . 1 52 52 ARG HA H 1 5.653 0.020 . 1 . . . . . 111 ARG HA . 52064 1 353 . 1 . 1 52 52 ARG C C 13 174.464 0.3 . 1 . . . . . 111 ARG C . 52064 1 354 . 1 . 1 52 52 ARG CA C 13 52.271 0.3 . 1 . . . . . 111 ARG CA . 52064 1 355 . 1 . 1 52 52 ARG CB C 13 33.049 0.3 . 1 . . . . . 111 ARG CB . 52064 1 356 . 1 . 1 52 52 ARG N N 15 118.476 0.3 . 1 . . . . . 111 ARG N . 52064 1 357 . 1 . 1 53 53 VAL H H 1 8.233 0.020 . 1 . . . . . 112 VAL H . 52064 1 358 . 1 . 1 53 53 VAL HA H 1 5.640 0.020 . 1 . . . . . 112 VAL HA . 52064 1 359 . 1 . 1 53 53 VAL HB H 1 2.127 0.020 . 1 . . . . . 112 VAL HB . 52064 1 360 . 1 . 1 53 53 VAL HG11 H 1 1.106 0.020 . 2 . . . . . 112 VAL HG1 . 52064 1 361 . 1 . 1 53 53 VAL HG12 H 1 1.106 0.020 . 2 . . . . . 112 VAL HG1 . 52064 1 362 . 1 . 1 53 53 VAL HG13 H 1 1.106 0.020 . 2 . . . . . 112 VAL HG1 . 52064 1 363 . 1 . 1 53 53 VAL HG21 H 1 0.836 0.020 . 2 . . . . . 112 VAL HG2 . 52064 1 364 . 1 . 1 53 53 VAL HG22 H 1 0.836 0.020 . 2 . . . . . 112 VAL HG2 . 52064 1 365 . 1 . 1 53 53 VAL HG23 H 1 0.836 0.020 . 2 . . . . . 112 VAL HG2 . 52064 1 366 . 1 . 1 53 53 VAL C C 13 175.667 0.3 . 1 . . . . . 112 VAL C . 52064 1 367 . 1 . 1 53 53 VAL CA C 13 60.257 0.3 . 1 . . . . . 112 VAL CA . 52064 1 368 . 1 . 1 53 53 VAL CB C 13 33.785 0.3 . 1 . . . . . 112 VAL CB . 52064 1 369 . 1 . 1 53 53 VAL N N 15 119.495 0.3 . 1 . . . . . 112 VAL N . 52064 1 370 . 1 . 1 54 54 GLU H H 1 8.925 0.020 . 1 . . . . . 113 GLU H . 52064 1 371 . 1 . 1 54 54 GLU HA H 1 4.705 0.020 . 1 . . . . . 113 GLU HA . 52064 1 372 . 1 . 1 54 54 GLU HB2 H 1 1.917 0.020 . 1 . . . . . 113 GLU HB2 . 52064 1 373 . 1 . 1 54 54 GLU HB3 H 1 1.917 0.020 . 1 . . . . . 113 GLU HB3 . 52064 1 374 . 1 . 1 54 54 GLU HG2 H 1 2.187 0.020 . 1 . . . . . 113 GLU HG2 . 52064 1 375 . 1 . 1 54 54 GLU HG3 H 1 2.187 0.020 . 1 . . . . . 113 GLU HG3 . 52064 1 376 . 1 . 1 54 54 GLU C C 13 175.723 0.3 . 1 . . . . . 113 GLU C . 52064 1 377 . 1 . 1 54 54 GLU CA C 13 54.057 0.3 . 1 . . . . . 113 GLU CA . 52064 1 378 . 1 . 1 54 54 GLU CB C 13 33.540 0.3 . 1 . . . . . 113 GLU CB . 52064 1 379 . 1 . 1 54 54 GLU CG C 13 36.218 0.3 . 1 . . . . . 113 GLU CG . 52064 1 380 . 1 . 1 54 54 GLU N N 15 125.617 0.3 . 1 . . . . . 113 GLU N . 52064 1 381 . 1 . 1 55 55 VAL H H 1 8.621 0.020 . 1 . . . . . 114 VAL H . 52064 1 382 . 1 . 1 55 55 VAL HB H 1 1.692 0.020 . 1 . . . . . 114 VAL HB . 52064 1 383 . 1 . 1 55 55 VAL HG11 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG1 . 52064 1 384 . 1 . 1 55 55 VAL HG12 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG1 . 52064 1 385 . 1 . 1 55 55 VAL HG13 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG1 . 52064 1 386 . 1 . 1 55 55 VAL HG21 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG2 . 52064 1 387 . 1 . 1 55 55 VAL HG22 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG2 . 52064 1 388 . 1 . 1 55 55 VAL HG23 H 1 0.656 0.020 . 1 . . . . . 114 VAL HG2 . 52064 1 389 . 1 . 1 55 55 VAL C C 13 174.923 0.3 . 1 . . . . . 114 VAL C . 52064 1 390 . 1 . 1 55 55 VAL CA C 13 61.762 0.3 . 1 . . . . . 114 VAL CA . 52064 1 391 . 1 . 1 55 55 VAL CB C 13 31.579 0.3 . 1 . . . . . 114 VAL CB . 52064 1 392 . 1 . 1 55 55 VAL CG1 C 13 21.872 0.3 . 1 . . . . . 114 VAL CG1 . 52064 1 393 . 1 . 1 55 55 VAL CG2 C 13 19.878 0.3 . 1 . . . . . 114 VAL CG2 . 52064 1 394 . 1 . 1 55 55 VAL N N 15 126.148 0.3 . 1 . . . . . 114 VAL N . 52064 1 395 . 1 . 1 56 56 GLN H H 1 8.500 0.020 . 1 . . . . . 115 GLN H . 52064 1 396 . 1 . 1 56 56 GLN HA H 1 4.409 0.020 . 1 . . . . . 115 GLN HA . 52064 1 397 . 1 . 1 56 56 GLN HB2 H 1 1.947 0.020 . 1 . . . . . 115 GLN HB2 . 52064 1 398 . 1 . 1 56 56 GLN HB3 H 1 1.947 0.020 . 1 . . . . . 115 GLN HB3 . 52064 1 399 . 1 . 1 56 56 GLN HG2 H 1 2.172 0.020 . 1 . . . . . 115 GLN HG2 . 52064 1 400 . 1 . 1 56 56 GLN HG3 H 1 2.172 0.020 . 1 . . . . . 115 GLN HG3 . 52064 1 401 . 1 . 1 56 56 GLN C C 13 177.919 0.3 . 1 . . . . . 115 GLN C . 52064 1 402 . 1 . 1 56 56 GLN CA C 13 53.878 0.3 . 1 . . . . . 115 GLN CA . 52064 1 403 . 1 . 1 56 56 GLN CB C 13 30.477 0.3 . 1 . . . . . 115 GLN CB . 52064 1 404 . 1 . 1 56 56 GLN CG C 13 35.166 0.3 . 1 . . . . . 115 GLN CG . 52064 1 405 . 1 . 1 56 56 GLN N N 15 125.274 0.3 . 1 . . . . . 115 GLN N . 52064 1 406 . 1 . 1 57 57 ALA H H 1 8.725 0.020 . 1 . . . . . 116 ALA H . 52064 1 407 . 1 . 1 57 57 ALA HB1 H 1 1.377 0.020 . 1 . . . . . 116 ALA HB . 52064 1 408 . 1 . 1 57 57 ALA HB2 H 1 1.377 0.020 . 1 . . . . . 116 ALA HB . 52064 1 409 . 1 . 1 57 57 ALA HB3 H 1 1.377 0.020 . 1 . . . . . 116 ALA HB . 52064 1 410 . 1 . 1 57 57 ALA C C 13 177.859 0.3 . 1 . . . . . 116 ALA C . 52064 1 411 . 1 . 1 57 57 ALA CA C 13 54.975 0.3 . 1 . . . . . 116 ALA CA . 52064 1 412 . 1 . 1 57 57 ALA CB C 13 17.857 0.3 . 1 . . . . . 116 ALA CB . 52064 1 413 . 1 . 1 57 57 ALA N N 15 124.718 0.3 . 1 . . . . . 116 ALA N . 52064 1 414 . 1 . 1 58 58 ASP H H 1 7.592 0.020 . 1 . . . . . 117 ASP H . 52064 1 415 . 1 . 1 58 58 ASP HA H 1 4.397 0.020 . 1 . . . . . 117 ASP HA . 52064 1 416 . 1 . 1 58 58 ASP HB2 H 1 3.013 0.020 . 2 . . . . . 117 ASP HB2 . 52064 1 417 . 1 . 1 58 58 ASP HB3 H 1 2.533 0.020 . 2 . . . . . 117 ASP HB3 . 52064 1 418 . 1 . 1 58 58 ASP C C 13 177.266 0.3 . 1 . . . . . 117 ASP C . 52064 1 419 . 1 . 1 58 58 ASP CA C 13 52.781 0.3 . 1 . . . . . 117 ASP CA . 52064 1 420 . 1 . 1 58 58 ASP CB C 13 39.727 0.3 . 1 . . . . . 117 ASP CB . 52064 1 421 . 1 . 1 58 58 ASP N N 15 113.851 0.3 . 1 . . . . . 117 ASP N . 52064 1 422 . 1 . 1 59 59 GLY H H 1 8.021 0.020 . 1 . . . . . 118 GLY H . 52064 1 423 . 1 . 1 59 59 GLY HA2 H 1 4.138 0.020 . 2 . . . . . 118 GLY HA2 . 52064 1 424 . 1 . 1 59 59 GLY HA3 H 1 3.364 0.020 . 2 . . . . . 118 GLY HA3 . 52064 1 425 . 1 . 1 59 59 GLY C C 13 174.831 0.3 . 1 . . . . . 118 GLY C . 52064 1 426 . 1 . 1 59 59 GLY CA C 13 45.024 0.3 . 1 . . . . . 118 GLY CA . 52064 1 427 . 1 . 1 59 59 GLY N N 15 108.095 0.3 . 1 . . . . . 118 GLY N . 52064 1 428 . 1 . 1 60 60 THR H H 1 7.635 0.020 . 1 . . . . . 119 THR H . 52064 1 429 . 1 . 1 60 60 THR HA H 1 4.077 0.020 . 1 . . . . . 119 THR HA . 52064 1 430 . 1 . 1 60 60 THR C C 13 172.562 0.3 . 1 . . . . . 119 THR C . 52064 1 431 . 1 . 1 60 60 THR CA C 13 61.915 0.3 . 1 . . . . . 119 THR CA . 52064 1 432 . 1 . 1 60 60 THR CB C 13 70.602 0.3 . 1 . . . . . 119 THR CB . 52064 1 433 . 1 . 1 60 60 THR N N 15 111.251 0.3 . 1 . . . . . 119 THR N . 52064 1 434 . 1 . 1 61 61 HIS H H 1 8.868 0.020 . 1 . . . . . 120 HIS H . 52064 1 435 . 1 . 1 61 61 HIS HA H 1 4.582 0.020 . 1 . . . . . 120 HIS HA . 52064 1 436 . 1 . 1 61 61 HIS C C 13 172.401 0.3 . 1 . . . . . 120 HIS C . 52064 1 437 . 1 . 1 61 61 HIS CA C 13 56.302 0.3 . 1 . . . . . 120 HIS CA . 52064 1 438 . 1 . 1 61 61 HIS CB C 13 29.435 0.3 . 1 . . . . . 120 HIS CB . 52064 1 439 . 1 . 1 61 61 HIS N N 15 115.851 0.3 . 1 . . . . . 120 HIS N . 52064 1 440 . 1 . 1 62 62 ALA H H 1 8.568 0.020 . 1 . . . . . 121 ALA H . 52064 1 441 . 1 . 1 62 62 ALA HB1 H 1 1.156 0.020 . 1 . . . . . 121 ALA HB . 52064 1 442 . 1 . 1 62 62 ALA HB2 H 1 1.156 0.020 . 1 . . . . . 121 ALA HB . 52064 1 443 . 1 . 1 62 62 ALA HB3 H 1 1.156 0.020 . 1 . . . . . 121 ALA HB . 52064 1 444 . 1 . 1 62 62 ALA C C 13 175.346 0.3 . 1 . . . . . 121 ALA C . 52064 1 445 . 1 . 1 62 62 ALA CA C 13 49.923 0.3 . 1 . . . . . 121 ALA CA . 52064 1 446 . 1 . 1 62 62 ALA CB C 13 20.614 0.3 . 1 . . . . . 121 ALA CB . 52064 1 447 . 1 . 1 62 62 ALA N N 15 125.805 0.3 . 1 . . . . . 121 ALA N . 52064 1 448 . 1 . 1 63 63 ALA H H 1 8.863 0.020 . 1 . . . . . 122 ALA H . 52064 1 449 . 1 . 1 63 63 ALA HA H 1 5.480 0.020 . 1 . . . . . 122 ALA HA . 52064 1 450 . 1 . 1 63 63 ALA HB1 H 1 1.046 0.020 . 1 . . . . . 122 ALA HB . 52064 1 451 . 1 . 1 63 63 ALA HB2 H 1 1.046 0.020 . 1 . . . . . 122 ALA HB . 52064 1 452 . 1 . 1 63 63 ALA HB3 H 1 1.046 0.020 . 1 . . . . . 122 ALA HB . 52064 1 453 . 1 . 1 63 63 ALA C C 13 175.916 0.3 . 1 . . . . . 122 ALA C . 52064 1 454 . 1 . 1 63 63 ALA CA C 13 49.668 0.3 . 1 . . . . . 122 ALA CA . 52064 1 455 . 1 . 1 63 63 ALA CB C 13 21.533 0.3 . 1 . . . . . 122 ALA CB . 52064 1 456 . 1 . 1 63 63 ALA N N 15 124.583 0.3 . 1 . . . . . 122 ALA N . 52064 1 457 . 1 . 1 64 64 ILE H H 1 9.278 0.020 . 1 . . . . . 123 ILE H . 52064 1 458 . 1 . 1 64 64 ILE HA H 1 5.062 0.020 . 1 . . . . . 123 ILE HA . 52064 1 459 . 1 . 1 64 64 ILE HB H 1 1.542 0.020 . 1 . . . . . 123 ILE HB . 52064 1 460 . 1 . 1 64 64 ILE HG21 H 1 0.881 0.020 . 1 . . . . . 123 ILE HG2 . 52064 1 461 . 1 . 1 64 64 ILE HG22 H 1 0.881 0.020 . 1 . . . . . 123 ILE HG2 . 52064 1 462 . 1 . 1 64 64 ILE HG23 H 1 0.881 0.020 . 1 . . . . . 123 ILE HG2 . 52064 1 463 . 1 . 1 64 64 ILE C C 13 177.138 0.3 . 1 . . . . . 123 ILE C . 52064 1 464 . 1 . 1 64 64 ILE CA C 13 60.818 0.3 . 1 . . . . . 123 ILE CA . 52064 1 465 . 1 . 1 64 64 ILE CB C 13 41.748 0.3 . 1 . . . . . 123 ILE CB . 52064 1 466 . 1 . 1 64 64 ILE CG1 C 13 27.095 0.3 . 1 . . . . . 123 ILE CG1 . 52064 1 467 . 1 . 1 64 64 ILE CG2 C 13 18.169 0.3 . 1 . . . . . 123 ILE CG2 . 52064 1 468 . 1 . 1 64 64 ILE N N 15 121.020 0.3 . 1 . . . . . 123 ILE N . 52064 1 469 . 1 . 1 65 65 GLY H H 1 9.022 0.020 . 1 . . . . . 124 GLY H . 52064 1 470 . 1 . 1 65 65 GLY HA2 H 1 4.877 0.020 . 2 . . . . . 124 GLY HA2 . 52064 1 471 . 1 . 1 65 65 GLY HA3 H 1 3.809 0.020 . 2 . . . . . 124 GLY HA3 . 52064 1 472 . 1 . 1 65 65 GLY C C 13 180.290 0.3 . 1 . . . . . 124 GLY C . 52064 1 473 . 1 . 1 65 65 GLY CA C 13 44.004 0.3 . 1 . . . . . 124 GLY CA . 52064 1 474 . 1 . 1 65 65 GLY N N 15 115.954 0.3 . 1 . . . . . 124 GLY N . 52064 1 475 . 1 . 1 66 66 GLU H H 1 9.141 0.020 . 1 . . . . . 125 GLU H . 52064 1 476 . 1 . 1 66 66 GLU HA H 1 5.197 0.020 . 1 . . . . . 125 GLU HA . 52064 1 477 . 1 . 1 66 66 GLU HB2 H 1 1.872 0.020 . 1 . . . . . 125 GLU HB2 . 52064 1 478 . 1 . 1 66 66 GLU HB3 H 1 1.872 0.020 . 1 . . . . . 125 GLU HB3 . 52064 1 479 . 1 . 1 66 66 GLU HG2 H 1 2.097 0.020 . 1 . . . . . 125 GLU HG2 . 52064 1 480 . 1 . 1 66 66 GLU HG3 H 1 2.097 0.020 . 1 . . . . . 125 GLU HG3 . 52064 1 481 . 1 . 1 66 66 GLU C C 13 174.519 0.3 . 1 . . . . . 125 GLU C . 52064 1 482 . 1 . 1 66 66 GLU CA C 13 55.230 0.3 . 1 . . . . . 125 GLU CA . 52064 1 483 . 1 . 1 66 66 GLU CB C 13 32.743 0.3 . 1 . . . . . 125 GLU CB . 52064 1 484 . 1 . 1 66 66 GLU CG C 13 35.959 0.3 . 1 . . . . . 125 GLU CG . 52064 1 485 . 1 . 1 66 66 GLU N N 15 120.806 0.3 . 1 . . . . . 125 GLU N . 52064 1 486 . 1 . 1 67 67 LYS H H 1 8.794 0.020 . 1 . . . . . 126 LYS H . 52064 1 487 . 1 . 1 67 67 LYS HA H 1 4.433 0.020 . 1 . . . . . 126 LYS HA . 52064 1 488 . 1 . 1 67 67 LYS HB2 H 1 1.737 0.020 . 1 . . . . . 126 LYS HB2 . 52064 1 489 . 1 . 1 67 67 LYS HB3 H 1 1.737 0.020 . 1 . . . . . 126 LYS HB3 . 52064 1 490 . 1 . 1 67 67 LYS HG2 H 1 1.256 0.020 . 1 . . . . . 126 LYS HG2 . 52064 1 491 . 1 . 1 67 67 LYS HG3 H 1 1.256 0.020 . 1 . . . . . 126 LYS HG3 . 52064 1 492 . 1 . 1 67 67 LYS HD2 H 1 1.542 0.020 . 1 . . . . . 126 LYS HD2 . 52064 1 493 . 1 . 1 67 67 LYS HD3 H 1 1.542 0.020 . 1 . . . . . 126 LYS HD3 . 52064 1 494 . 1 . 1 67 67 LYS C C 13 176.081 0.3 . 1 . . . . . 126 LYS C . 52064 1 495 . 1 . 1 67 67 LYS CA C 13 55.460 0.3 . 1 . . . . . 126 LYS CA . 52064 1 496 . 1 . 1 67 67 LYS CB C 13 35.194 0.3 . 1 . . . . . 126 LYS CB . 52064 1 497 . 1 . 1 67 67 LYS CG C 13 24.816 0.3 . 1 . . . . . 126 LYS CG . 52064 1 498 . 1 . 1 67 67 LYS CD C 13 28.994 0.3 . 1 . . . . . 126 LYS CD . 52064 1 499 . 1 . 1 67 67 LYS N N 15 122.441 0.3 . 1 . . . . . 126 LYS N . 52064 1 500 . 1 . 1 68 68 ASN H H 1 9.602 0.020 . 1 . . . . . 127 ASN H . 52064 1 501 . 1 . 1 68 68 ASN HA H 1 4.360 0.020 . 1 . . . . . 127 ASN HA . 52064 1 502 . 1 . 1 68 68 ASN HB2 H 1 3.093 0.020 . 2 . . . . . 127 ASN HB2 . 52064 1 503 . 1 . 1 68 68 ASN HB3 H 1 2.797 0.020 . 2 . . . . . 127 ASN HB3 . 52064 1 504 . 1 . 1 68 68 ASN C C 13 174.886 0.3 . 1 . . . . . 127 ASN C . 52064 1 505 . 1 . 1 68 68 ASN CA C 13 54.261 0.3 . 1 . . . . . 127 ASN CA . 52064 1 506 . 1 . 1 68 68 ASN CB C 13 37.154 0.3 . 1 . . . . . 127 ASN CB . 52064 1 507 . 1 . 1 68 68 ASN N N 15 127.227 0.3 . 1 . . . . . 127 ASN N . 52064 1 508 . 1 . 1 69 69 GLY H H 1 8.735 0.020 . 1 . . . . . 128 GLY H . 52064 1 509 . 1 . 1 69 69 GLY HA2 H 1 4.062 0.020 . 2 . . . . . 128 GLY HA2 . 52064 1 510 . 1 . 1 69 69 GLY HA3 H 1 3.540 0.020 . 2 . . . . . 128 GLY HA3 . 52064 1 511 . 1 . 1 69 69 GLY C C 13 173.242 0.3 . 1 . . . . . 128 GLY C . 52064 1 512 . 1 . 1 69 69 GLY CA C 13 45.254 0.3 . 1 . . . . . 128 GLY CA . 52064 1 513 . 1 . 1 69 69 GLY N N 15 103.919 0.3 . 1 . . . . . 128 GLY N . 52064 1 514 . 1 . 1 70 70 LEU H H 1 7.637 0.020 . 1 . . . . . 129 LEU H . 52064 1 515 . 1 . 1 70 70 LEU HA H 1 4.606 0.020 . 1 . . . . . 129 LEU HA . 52064 1 516 . 1 . 1 70 70 LEU HB2 H 1 1.647 0.020 . 1 . . . . . 129 LEU HB2 . 52064 1 517 . 1 . 1 70 70 LEU HB3 H 1 1.647 0.020 . 1 . . . . . 129 LEU HB3 . 52064 1 518 . 1 . 1 70 70 LEU HD11 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD1 . 52064 1 519 . 1 . 1 70 70 LEU HD12 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD1 . 52064 1 520 . 1 . 1 70 70 LEU HD13 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD1 . 52064 1 521 . 1 . 1 70 70 LEU HD21 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD2 . 52064 1 522 . 1 . 1 70 70 LEU HD22 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD2 . 52064 1 523 . 1 . 1 70 70 LEU HD23 H 1 0.926 0.020 . 1 . . . . . 129 LEU HD2 . 52064 1 524 . 1 . 1 70 70 LEU C C 13 175.934 0.3 . 1 . . . . . 129 LEU C . 52064 1 525 . 1 . 1 70 70 LEU CA C 13 53.189 0.3 . 1 . . . . . 129 LEU CA . 52064 1 526 . 1 . 1 70 70 LEU CB C 13 43.586 0.3 . 1 . . . . . 129 LEU CB . 52064 1 527 . 1 . 1 70 70 LEU CG C 13 26.620 0.3 . 1 . . . . . 129 LEU CG . 52064 1 528 . 1 . 1 70 70 LEU CD1 C 13 24.911 0.3 . 1 . . . . . 129 LEU CD1 . 52064 1 529 . 1 . 1 70 70 LEU CD2 C 13 24.436 0.3 . 1 . . . . . 129 LEU CD2 . 52064 1 530 . 1 . 1 70 70 LEU N N 15 122.242 0.3 . 1 . . . . . 129 LEU N . 52064 1 531 . 1 . 1 71 71 GLU H H 1 8.471 0.020 . 1 . . . . . 130 GLU H . 52064 1 532 . 1 . 1 71 71 GLU HA H 1 4.619 0.020 . 1 . . . . . 130 GLU HA . 52064 1 533 . 1 . 1 71 71 GLU HB2 H 1 2.007 0.020 . 2 . . . . . 130 GLU HB2 . 52064 1 534 . 1 . 1 71 71 GLU HB3 H 1 1.812 0.020 . 2 . . . . . 130 GLU HB3 . 52064 1 535 . 1 . 1 71 71 GLU HG2 H 1 2.397 0.020 . 1 . . . . . 130 GLU HG2 . 52064 1 536 . 1 . 1 71 71 GLU HG3 H 1 2.397 0.020 . 1 . . . . . 130 GLU HG3 . 52064 1 537 . 1 . 1 71 71 GLU C C 13 176.494 0.3 . 1 . . . . . 130 GLU C . 52064 1 538 . 1 . 1 71 71 GLU CA C 13 56.838 0.3 . 1 . . . . . 130 GLU CA . 52064 1 539 . 1 . 1 71 71 GLU CB C 13 30.109 0.3 . 1 . . . . . 130 GLU CB . 52064 1 540 . 1 . 1 71 71 GLU CG C 13 37.825 0.3 . 1 . . . . . 130 GLU CG . 52064 1 541 . 1 . 1 71 71 GLU N N 15 122.167 0.3 . 1 . . . . . 130 GLU N . 52064 1 542 . 1 . 1 72 72 VAL H H 1 8.649 0.020 . 1 . . . . . 131 VAL H . 52064 1 543 . 1 . 1 72 72 VAL HA H 1 4.204 0.020 . 1 . . . . . 131 VAL HA . 52064 1 544 . 1 . 1 72 72 VAL HB H 1 1.658 0.020 . 1 . . . . . 131 VAL HB . 52064 1 545 . 1 . 1 72 72 VAL HG11 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG1 . 52064 1 546 . 1 . 1 72 72 VAL HG12 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG1 . 52064 1 547 . 1 . 1 72 72 VAL HG13 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG1 . 52064 1 548 . 1 . 1 72 72 VAL HG21 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG2 . 52064 1 549 . 1 . 1 72 72 VAL HG22 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG2 . 52064 1 550 . 1 . 1 72 72 VAL HG23 H 1 0.749 0.020 . 1 . . . . . 131 VAL HG2 . 52064 1 551 . 1 . 1 72 72 VAL C C 13 173.191 0.3 . 1 . . . . . 131 VAL C . 52064 1 552 . 1 . 1 72 72 VAL CA C 13 60.690 0.3 . 1 . . . . . 131 VAL CA . 52064 1 553 . 1 . 1 72 72 VAL CB C 13 34.213 0.3 . 1 . . . . . 131 VAL CB . 52064 1 554 . 1 . 1 72 72 VAL CG1 C 13 21.724 0.3 . 1 . . . . . 131 VAL CG1 . 52064 1 555 . 1 . 1 72 72 VAL CG2 C 13 20.287 0.3 . 1 . . . . . 131 VAL CG2 . 52064 1 556 . 1 . 1 72 72 VAL N N 15 124.296 0.3 . 1 . . . . . 131 VAL N . 52064 1 557 . 1 . 1 73 73 SER H H 1 8.280 0.020 . 1 . . . . . 132 SER H . 52064 1 558 . 1 . 1 73 73 SER HA H 1 5.727 0.020 . 1 . . . . . 132 SER HA . 52064 1 559 . 1 . 1 73 73 SER HB2 H 1 3.577 0.020 . 1 . . . . . 132 SER HB2 . 52064 1 560 . 1 . 1 73 73 SER HB3 H 1 3.577 0.020 . 1 . . . . . 132 SER HB3 . 52064 1 561 . 1 . 1 73 73 SER C C 13 174.556 0.3 . 1 . . . . . 132 SER C . 52064 1 562 . 1 . 1 73 73 SER CA C 13 55.613 0.3 . 1 . . . . . 132 SER CA . 52064 1 563 . 1 . 1 73 73 SER CB C 13 66.559 0.3 . 1 . . . . . 132 SER CB . 52064 1 564 . 1 . 1 73 73 SER N N 15 117.596 0.3 . 1 . . . . . 132 SER N . 52064 1 565 . 1 . 1 74 74 VAL H H 1 8.649 0.020 . 1 . . . . . 133 VAL H . 52064 1 566 . 1 . 1 74 74 VAL HA H 1 4.606 0.020 . 1 . . . . . 133 VAL HA . 52064 1 567 . 1 . 1 74 74 VAL HB H 1 2.112 0.020 . 1 . . . . . 133 VAL HB . 52064 1 568 . 1 . 1 74 74 VAL HG11 H 1 0.881 0.020 . 2 . . . . . 133 VAL HG1 . 52064 1 569 . 1 . 1 74 74 VAL HG12 H 1 0.881 0.020 . 2 . . . . . 133 VAL HG1 . 52064 1 570 . 1 . 1 74 74 VAL HG13 H 1 0.881 0.020 . 2 . . . . . 133 VAL HG1 . 52064 1 571 . 1 . 1 74 74 VAL HG21 H 1 0.776 0.020 . 2 . . . . . 133 VAL HG2 . 52064 1 572 . 1 . 1 74 74 VAL HG22 H 1 0.776 0.020 . 2 . . . . . 133 VAL HG2 . 52064 1 573 . 1 . 1 74 74 VAL HG23 H 1 0.776 0.020 . 2 . . . . . 133 VAL HG2 . 52064 1 574 . 1 . 1 74 74 VAL C C 13 174.578 0.3 . 1 . . . . . 133 VAL C . 52064 1 575 . 1 . 1 74 74 VAL CA C 13 59.211 0.3 . 1 . . . . . 133 VAL CA . 52064 1 576 . 1 . 1 74 74 VAL CB C 13 35.561 0.3 . 1 . . . . . 133 VAL CB . 52064 1 577 . 1 . 1 74 74 VAL CG1 C 13 21.112 0.3 . 1 . . . . . 133 VAL CG1 . 52064 1 578 . 1 . 1 74 74 VAL CG2 C 13 19.118 0.3 . 1 . . . . . 133 VAL CG2 . 52064 1 579 . 1 . 1 74 74 VAL N N 15 116.067 0.3 . 1 . . . . . 133 VAL N . 52064 1 580 . 1 . 1 75 75 THR H H 1 8.620 0.020 . 1 . . . . . 134 THR H . 52064 1 581 . 1 . 1 75 75 THR HA H 1 4.298 0.020 . 1 . . . . . 134 THR HA . 52064 1 582 . 1 . 1 75 75 THR HB H 1 3.944 0.020 . 1 . . . . . 134 THR HB . 52064 1 583 . 1 . 1 75 75 THR HG21 H 1 1.196 0.020 . 1 . . . . . 134 THR HG2 . 52064 1 584 . 1 . 1 75 75 THR HG22 H 1 1.196 0.020 . 1 . . . . . 134 THR HG2 . 52064 1 585 . 1 . 1 75 75 THR HG23 H 1 1.196 0.020 . 1 . . . . . 134 THR HG2 . 52064 1 586 . 1 . 1 75 75 THR C C 13 174.578 0.3 . 1 . . . . . 134 THR C . 52064 1 587 . 1 . 1 75 75 THR CA C 13 63.063 0.3 . 1 . . . . . 134 THR CA . 52064 1 588 . 1 . 1 75 75 THR CB C 13 68.703 0.3 . 1 . . . . . 134 THR CB . 52064 1 589 . 1 . 1 75 75 THR CG2 C 13 21.682 0.3 . 1 . . . . . 134 THR CG2 . 52064 1 590 . 1 . 1 75 75 THR N N 15 120.463 0.3 . 1 . . . . . 134 THR N . 52064 1 591 . 1 . 1 76 76 LEU H H 1 8.611 0.020 . 1 . . . . . 135 LEU H . 52064 1 592 . 1 . 1 76 76 LEU C C 13 177.928 0.3 . 1 . . . . . 135 LEU C . 52064 1 593 . 1 . 1 76 76 LEU CA C 13 54.873 0.3 . 1 . . . . . 135 LEU CA . 52064 1 594 . 1 . 1 76 76 LEU N N 15 126.011 0.3 . 1 . . . . . 135 LEU N . 52064 1 595 . 1 . 1 78 78 PRO HA H 1 4.409 0.020 . 1 . . . . . 137 PRO HA . 52064 1 596 . 1 . 1 78 78 PRO C C 13 179.757 0.3 . 1 . . . . . 137 PRO C . 52064 1 597 . 1 . 1 78 78 PRO CA C 13 65.885 0.3 . 1 . . . . . 137 PRO CA . 52064 1 598 . 1 . 1 78 78 PRO CB C 13 31.457 0.3 . 1 . . . . . 137 PRO CB . 52064 1 599 . 1 . 1 79 79 GLN H H 1 8.484 0.020 . 1 . . . . . 138 GLN H . 52064 1 600 . 1 . 1 79 79 GLN HA H 1 4.052 0.020 . 1 . . . . . 138 GLN HA . 52064 1 601 . 1 . 1 79 79 GLN HB2 H 1 2.103 0.020 . 1 . . . . . 138 GLN HB2 . 52064 1 602 . 1 . 1 79 79 GLN HB3 H 1 2.103 0.020 . 1 . . . . . 138 GLN HB3 . 52064 1 603 . 1 . 1 79 79 GLN HG2 H 1 2.474 0.020 . 1 . . . . . 138 GLN HG2 . 52064 1 604 . 1 . 1 79 79 GLN HG3 H 1 2.474 0.020 . 1 . . . . . 138 GLN HG3 . 52064 1 605 . 1 . 1 79 79 GLN C C 13 179.040 0.3 . 1 . . . . . 138 GLN C . 52064 1 606 . 1 . 1 79 79 GLN CA C 13 59.211 0.3 . 1 . . . . . 138 GLN CA . 52064 1 607 . 1 . 1 79 79 GLN CB C 13 27.659 0.3 . 1 . . . . . 138 GLN CB . 52064 1 608 . 1 . 1 79 79 GLN N N 15 117.027 0.3 . 1 . . . . . 138 GLN N . 52064 1 609 . 1 . 1 80 80 GLU H H 1 7.807 0.020 . 1 . . . . . 139 GLU H . 52064 1 610 . 1 . 1 80 80 GLU HA H 1 3.929 0.020 . 1 . . . . . 139 GLU HA . 52064 1 611 . 1 . 1 80 80 GLU C C 13 179.260 0.3 . 1 . . . . . 139 GLU C . 52064 1 612 . 1 . 1 80 80 GLU CA C 13 59.083 0.3 . 1 . . . . . 139 GLU CA . 52064 1 613 . 1 . 1 80 80 GLU CB C 13 30.660 0.3 . 1 . . . . . 139 GLU CB . 52064 1 614 . 1 . 1 80 80 GLU N N 15 121.391 0.3 . 1 . . . . . 139 GLU N . 52064 1 615 . 1 . 1 81 81 TRP H H 1 8.442 0.020 . 1 . . . . . 140 TRP H . 52064 1 616 . 1 . 1 81 81 TRP C C 13 176.968 0.3 . 1 . . . . . 140 TRP C . 52064 1 617 . 1 . 1 81 81 TRP CA C 13 59.007 0.3 . 1 . . . . . 140 TRP CA . 52064 1 618 . 1 . 1 81 81 TRP CB C 13 29.659 0.3 . 1 . . . . . 140 TRP CB . 52064 1 619 . 1 . 1 81 81 TRP N N 15 118.532 0.3 . 1 . . . . . 140 TRP N . 52064 1 620 . 1 . 1 82 82 SER H H 1 8.158 0.020 . 1 . . . . . 141 SER H . 52064 1 621 . 1 . 1 82 82 SER CA C 13 61.762 0.3 . 1 . . . . . 141 SER CA . 52064 1 622 . 1 . 1 82 82 SER N N 15 113.273 0.3 . 1 . . . . . 141 SER N . 52064 1 623 . 1 . 1 84 84 LEU HA H 1 3.704 0.020 . 1 . . . . . 143 LEU HA . 52064 1 624 . 1 . 1 84 84 LEU C C 13 178.259 0.3 . 1 . . . . . 143 LEU C . 52064 1 625 . 1 . 1 84 84 LEU CA C 13 57.603 0.3 . 1 . . . . . 143 LEU CA . 52064 1 626 . 1 . 1 84 84 LEU CB C 13 39.788 0.3 . 1 . . . . . 143 LEU CB . 52064 1 627 . 1 . 1 84 84 LEU CG C 13 26.620 0.3 . 1 . . . . . 143 LEU CG . 52064 1 628 . 1 . 1 85 85 GLN H H 1 7.869 0.020 . 1 . . . . . 144 GLN H . 52064 1 629 . 1 . 1 85 85 GLN HA H 1 3.720 0.020 . 1 . . . . . 144 GLN HA . 52064 1 630 . 1 . 1 85 85 GLN HB2 H 1 1.406 0.020 . 2 . . . . . 144 GLN HB2 . 52064 1 631 . 1 . 1 85 85 GLN HB3 H 1 1.136 0.020 . 2 . . . . . 144 GLN HB3 . 52064 1 632 . 1 . 1 85 85 GLN C C 13 178.911 0.3 . 1 . . . . . 144 GLN C . 52064 1 633 . 1 . 1 85 85 GLN CA C 13 58.726 0.3 . 1 . . . . . 144 GLN CA . 52064 1 634 . 1 . 1 85 85 GLN CB C 13 28.945 0.3 . 1 . . . . . 144 GLN CB . 52064 1 635 . 1 . 1 85 85 GLN CG C 13 33.785 0.3 . 1 . . . . . 144 GLN CG . 52064 1 636 . 1 . 1 85 85 GLN N N 15 116.958 0.3 . 1 . . . . . 144 GLN N . 52064 1 637 . 1 . 1 86 86 SER H H 1 7.247 0.020 . 1 . . . . . 145 SER H . 52064 1 638 . 1 . 1 86 86 SER HA H 1 3.966 0.020 . 1 . . . . . 145 SER HA . 52064 1 639 . 1 . 1 86 86 SER C C 13 175.667 0.3 . 1 . . . . . 145 SER C . 52064 1 640 . 1 . 1 86 86 SER CA C 13 61.124 0.3 . 1 . . . . . 145 SER CA . 52064 1 641 . 1 . 1 86 86 SER CB C 13 62.883 0.3 . 1 . . . . . 145 SER CB . 52064 1 642 . 1 . 1 86 86 SER N N 15 111.688 0.3 . 1 . . . . . 145 SER N . 52064 1 643 . 1 . 1 87 87 ILE HA H 1 4.560 0.020 . 1 . . . . . 146 ILE HA . 52064 1 644 . 1 . 1 87 87 ILE HB H 1 2.157 0.020 . 1 . . . . . 146 ILE HB . 52064 1 645 . 1 . 1 87 87 ILE HG21 H 1 0.896 0.020 . 1 . . . . . 146 ILE HG2 . 52064 1 646 . 1 . 1 87 87 ILE HG22 H 1 0.896 0.020 . 1 . . . . . 146 ILE HG2 . 52064 1 647 . 1 . 1 87 87 ILE HG23 H 1 0.896 0.020 . 1 . . . . . 146 ILE HG2 . 52064 1 648 . 1 . 1 87 87 ILE C C 13 175.741 0.3 . 1 . . . . . 146 ILE C . 52064 1 649 . 1 . 1 87 87 ILE CA C 13 61.788 0.3 . 1 . . . . . 146 ILE CA . 52064 1 650 . 1 . 1 87 87 ILE CB C 13 38.563 0.3 . 1 . . . . . 146 ILE CB . 52064 1 651 . 1 . 1 87 87 ILE CG1 C 13 26.905 0.3 . 1 . . . . . 146 ILE CG1 . 52064 1 652 . 1 . 1 87 87 ILE CG2 C 13 18.169 0.3 . 1 . . . . . 146 ILE CG2 . 52064 1 653 . 1 . 1 88 88 ASP H H 1 7.496 0.020 . 1 . . . . . 147 ASP H . 52064 1 654 . 1 . 1 88 88 ASP HA H 1 4.951 0.020 . 1 . . . . . 147 ASP HA . 52064 1 655 . 1 . 1 88 88 ASP HB2 H 1 3.073 0.020 . 2 . . . . . 147 ASP HB2 . 52064 1 656 . 1 . 1 88 88 ASP HB3 H 1 2.578 0.020 . 2 . . . . . 147 ASP HB3 . 52064 1 657 . 1 . 1 88 88 ASP C C 13 177.110 0.3 . 1 . . . . . 147 ASP C . 52064 1 658 . 1 . 1 88 88 ASP CA C 13 51.786 0.3 . 1 . . . . . 147 ASP CA . 52064 1 659 . 1 . 1 88 88 ASP CB C 13 39.911 0.3 . 1 . . . . . 147 ASP CB . 52064 1 660 . 1 . 1 88 88 ASP N N 15 123.529 0.3 . 1 . . . . . 147 ASP N . 52064 1 661 . 1 . 1 89 89 THR H H 1 7.903 0.020 . 1 . . . . . 148 THR H . 52064 1 662 . 1 . 1 89 89 THR HA H 1 3.904 0.020 . 1 . . . . . 148 THR HA . 52064 1 663 . 1 . 1 89 89 THR HB H 1 4.199 0.020 . 1 . . . . . 148 THR HB . 52064 1 664 . 1 . 1 89 89 THR HG21 H 1 1.286 0.020 . 1 . . . . . 148 THR HG2 . 52064 1 665 . 1 . 1 89 89 THR HG22 H 1 1.286 0.020 . 1 . . . . . 148 THR HG2 . 52064 1 666 . 1 . 1 89 89 THR HG23 H 1 1.286 0.020 . 1 . . . . . 148 THR HG2 . 52064 1 667 . 1 . 1 89 89 THR C C 13 176.531 0.3 . 1 . . . . . 148 THR C . 52064 1 668 . 1 . 1 89 89 THR CA C 13 65.156 0.3 . 1 . . . . . 148 THR CA . 52064 1 669 . 1 . 1 89 89 THR CB C 13 68.641 0.3 . 1 . . . . . 148 THR CB . 52064 1 670 . 1 . 1 89 89 THR CG2 C 13 22.062 0.3 . 1 . . . . . 148 THR CG2 . 52064 1 671 . 1 . 1 89 89 THR N N 15 117.052 0.3 . 1 . . . . . 148 THR N . 52064 1 672 . 1 . 1 90 90 GLU H H 1 8.882 0.020 . 1 . . . . . 149 GLU H . 52064 1 673 . 1 . 1 90 90 GLU HA H 1 4.298 0.020 . 1 . . . . . 149 GLU HA . 52064 1 674 . 1 . 1 90 90 GLU HB2 H 1 1.887 0.020 . 1 . . . . . 149 GLU HB2 . 52064 1 675 . 1 . 1 90 90 GLU HB3 H 1 1.887 0.020 . 1 . . . . . 149 GLU HB3 . 52064 1 676 . 1 . 1 90 90 GLU HG2 H 1 2.202 0.020 . 1 . . . . . 149 GLU HG2 . 52064 1 677 . 1 . 1 90 90 GLU HG3 H 1 2.202 0.020 . 1 . . . . . 149 GLU HG3 . 52064 1 678 . 1 . 1 90 90 GLU C C 13 177.266 0.3 . 1 . . . . . 149 GLU C . 52064 1 679 . 1 . 1 90 90 GLU CA C 13 55.766 0.3 . 1 . . . . . 149 GLU CA . 52064 1 680 . 1 . 1 90 90 GLU CB C 13 29.741 0.3 . 1 . . . . . 149 GLU CB . 52064 1 681 . 1 . 1 90 90 GLU CG C 13 36.686 0.3 . 1 . . . . . 149 GLU CG . 52064 1 682 . 1 . 1 90 90 GLU N N 15 117.707 0.3 . 1 . . . . . 149 GLU N . 52064 1 683 . 1 . 1 91 91 GLY H H 1 7.714 0.020 . 1 . . . . . 150 GLY H . 52064 1 684 . 1 . 1 91 91 GLY HA2 H 1 3.720 0.020 . 1 . . . . . 150 GLY HA2 . 52064 1 685 . 1 . 1 91 91 GLY HA3 H 1 3.720 0.020 . 1 . . . . . 150 GLY HA3 . 52064 1 686 . 1 . 1 91 91 GLY C C 13 175.520 0.3 . 1 . . . . . 150 GLY C . 52064 1 687 . 1 . 1 91 91 GLY CA C 13 47.448 0.3 . 1 . . . . . 150 GLY CA . 52064 1 688 . 1 . 1 91 91 GLY N N 15 109.675 0.3 . 1 . . . . . 150 GLY N . 52064 1 689 . 1 . 1 92 92 LYS H H 1 8.439 0.020 . 1 . . . . . 151 LYS H . 52064 1 690 . 1 . 1 92 92 LYS HA H 1 4.040 0.020 . 1 . . . . . 151 LYS HA . 52064 1 691 . 1 . 1 92 92 LYS C C 13 177.496 0.3 . 1 . . . . . 151 LYS C . 52064 1 692 . 1 . 1 92 92 LYS CA C 13 57.169 0.3 . 1 . . . . . 151 LYS CA . 52064 1 693 . 1 . 1 92 92 LYS CB C 13 33.049 0.3 . 1 . . . . . 151 LYS CB . 52064 1 694 . 1 . 1 92 92 LYS N N 15 119.832 0.3 . 1 . . . . . 151 LYS N . 52064 1 695 . 1 . 1 93 93 ASN C C 13 173.343 0.3 . 1 . . . . . 152 ASN C . 52064 1 696 . 1 . 1 93 93 ASN CA C 13 55.154 0.3 . 1 . . . . . 152 ASN CA . 52064 1 697 . 1 . 1 93 93 ASN CB C 13 37.338 0.3 . 1 . . . . . 152 ASN CB . 52064 1 698 . 1 . 1 94 94 ARG H H 1 7.023 0.020 . 1 . . . . . 153 ARG H . 52064 1 699 . 1 . 1 94 94 ARG HA H 1 4.557 0.020 . 1 . . . . . 153 ARG HA . 52064 1 700 . 1 . 1 94 94 ARG C C 13 174.638 0.3 . 1 . . . . . 153 ARG C . 52064 1 701 . 1 . 1 94 94 ARG CA C 13 54.950 0.3 . 1 . . . . . 153 ARG CA . 52064 1 702 . 1 . 1 94 94 ARG CB C 13 32.314 0.3 . 1 . . . . . 153 ARG CB . 52064 1 703 . 1 . 1 94 94 ARG N N 15 114.951 0.3 . 1 . . . . . 153 ARG N . 52064 1 704 . 1 . 1 95 95 PHE H H 1 8.422 0.020 . 1 . . . . . 154 PHE H . 52064 1 705 . 1 . 1 95 95 PHE HA H 1 4.791 0.020 . 1 . . . . . 154 PHE HA . 52064 1 706 . 1 . 1 95 95 PHE C C 13 173.719 0.3 . 1 . . . . . 154 PHE C . 52064 1 707 . 1 . 1 95 95 PHE CA C 13 56.047 0.3 . 1 . . . . . 154 PHE CA . 52064 1 708 . 1 . 1 95 95 PHE CB C 13 43.709 0.3 . 1 . . . . . 154 PHE CB . 52064 1 709 . 1 . 1 95 95 PHE N N 15 122.939 0.3 . 1 . . . . . 154 PHE N . 52064 1 710 . 1 . 1 96 96 VAL H H 1 8.676 0.020 . 1 . . . . . 155 VAL H . 52064 1 711 . 1 . 1 96 96 VAL HA H 1 4.594 0.020 . 1 . . . . . 155 VAL HA . 52064 1 712 . 1 . 1 96 96 VAL C C 13 174.804 0.3 . 1 . . . . . 155 VAL C . 52064 1 713 . 1 . 1 96 96 VAL CA C 13 60.461 0.3 . 1 . . . . . 155 VAL CA . 52064 1 714 . 1 . 1 96 96 VAL CB C 13 35.255 0.3 . 1 . . . . . 155 VAL CB . 52064 1 715 . 1 . 1 96 96 VAL N N 15 116.718 0.3 . 1 . . . . . 155 VAL N . 52064 1 716 . 1 . 1 97 97 PHE H H 1 7.889 0.020 . 1 . . . . . 156 PHE H . 52064 1 717 . 1 . 1 97 97 PHE CA C 13 57.067 0.3 . 1 . . . . . 156 PHE CA . 52064 1 718 . 1 . 1 97 97 PHE N N 15 122.617 0.3 . 1 . . . . . 156 PHE N . 52064 1 719 . 1 . 1 100 100 GLY H H 1 8.087 0.020 . 1 . . . . . 159 GLY H . 52064 1 720 . 1 . 1 100 100 GLY HA2 H 1 3.869 0.020 . 1 . . . . . 159 GLY HA2 . 52064 1 721 . 1 . 1 100 100 GLY HA3 H 1 3.869 0.020 . 1 . . . . . 159 GLY HA3 . 52064 1 722 . 1 . 1 100 100 GLY CA C 13 44.769 0.3 . 1 . . . . . 159 GLY CA . 52064 1 723 . 1 . 1 100 100 GLY N N 15 107.543 0.3 . 1 . . . . . 159 GLY N . 52064 1 724 . 1 . 1 101 101 ARG H H 1 8.374 0.020 . 1 . . . . . 160 ARG H . 52064 1 725 . 1 . 1 101 101 ARG HA H 1 4.366 0.020 . 1 . . . . . 160 ARG HA . 52064 1 726 . 1 . 1 101 101 ARG HB2 H 1 1.587 0.020 . 1 . . . . . 160 ARG HB2 . 52064 1 727 . 1 . 1 101 101 ARG HB3 H 1 1.587 0.020 . 1 . . . . . 160 ARG HB3 . 52064 1 728 . 1 . 1 101 101 ARG HG2 H 1 1.707 0.020 . 1 . . . . . 160 ARG HG2 . 52064 1 729 . 1 . 1 101 101 ARG HG3 H 1 1.707 0.020 . 1 . . . . . 160 ARG HG3 . 52064 1 730 . 1 . 1 101 101 ARG HD2 H 1 3.118 0.020 . 1 . . . . . 160 ARG HD2 . 52064 1 731 . 1 . 1 101 101 ARG HD3 H 1 3.118 0.020 . 1 . . . . . 160 ARG HD3 . 52064 1 732 . 1 . 1 101 101 ARG C C 13 177.101 0.3 . 1 . . . . . 160 ARG C . 52064 1 733 . 1 . 1 101 101 ARG CA C 13 55.792 0.3 . 1 . . . . . 160 ARG CA . 52064 1 734 . 1 . 1 101 101 ARG CB C 13 30.660 0.3 . 1 . . . . . 160 ARG CB . 52064 1 735 . 1 . 1 101 101 ARG CG C 13 27.190 0.3 . 1 . . . . . 160 ARG CG . 52064 1 736 . 1 . 1 101 101 ARG N N 15 120.543 0.3 . 1 . . . . . 160 ARG N . 52064 1 737 . 1 . 1 102 102 GLY H H 1 8.581 0.020 . 1 . . . . . 161 GLY H . 52064 1 738 . 1 . 1 102 102 GLY HA2 H 1 3.929 0.020 . 1 . . . . . 161 GLY HA2 . 52064 1 739 . 1 . 1 102 102 GLY HA3 H 1 3.929 0.020 . 1 . . . . . 161 GLY HA3 . 52064 1 740 . 1 . 1 102 102 GLY C C 13 174.670 0.3 . 1 . . . . . 161 GLY C . 52064 1 741 . 1 . 1 102 102 GLY CA C 13 45.229 0.3 . 1 . . . . . 161 GLY CA . 52064 1 742 . 1 . 1 102 102 GLY N N 15 110.789 0.3 . 1 . . . . . 161 GLY N . 52064 1 743 . 1 . 1 103 103 GLY H H 1 8.203 0.020 . 1 . . . . . 162 GLY H . 52064 1 744 . 1 . 1 103 103 GLY CA C 13 45.024 0.3 . 1 . . . . . 162 GLY CA . 52064 1 745 . 1 . 1 103 103 GLY N N 15 108.827 0.3 . 1 . . . . . 162 GLY N . 52064 1 746 . 1 . 1 104 104 SER HB2 H 1 3.840 0.020 . 1 . . . . . 163 SER HB2 . 52064 1 747 . 1 . 1 104 104 SER HB3 H 1 3.840 0.020 . 1 . . . . . 163 SER HB3 . 52064 1 748 . 1 . 1 104 104 SER C C 13 174.840 0.3 . 1 . . . . . 163 SER C . 52064 1 749 . 1 . 1 104 104 SER CA C 13 58.165 0.3 . 1 . . . . . 163 SER CA . 52064 1 750 . 1 . 1 104 104 SER CB C 13 63.430 0.3 . 1 . . . . . 163 SER CB . 52064 1 751 . 1 . 1 105 105 GLY H H 1 8.102 0.020 . 1 . . . . . 164 GLY H . 52064 1 752 . 1 . 1 105 105 GLY C C 13 173.545 0.3 . 1 . . . . . 164 GLY C . 52064 1 753 . 1 . 1 105 105 GLY CA C 13 45.101 0.3 . 1 . . . . . 164 GLY CA . 52064 1 754 . 1 . 1 105 105 GLY N N 15 109.567 0.3 . 1 . . . . . 164 GLY N . 52064 1 755 . 1 . 1 106 106 HIS H H 1 8.127 0.020 . 1 . . . . . 165 HIS H . 52064 1 756 . 1 . 1 106 106 HIS C C 13 172.231 0.3 . 1 . . . . . 165 HIS C . 52064 1 757 . 1 . 1 106 106 HIS CA C 13 53.419 0.3 . 1 . . . . . 165 HIS CA . 52064 1 758 . 1 . 1 106 106 HIS N N 15 119.198 0.3 . 1 . . . . . 165 HIS N . 52064 1 759 . 1 . 1 109 109 VAL HA H 1 5.124 0.020 . 1 . . . . . 168 VAL HA . 52064 1 760 . 1 . 1 109 109 VAL HB H 1 1.875 0.020 . 1 . . . . . 168 VAL HB . 52064 1 761 . 1 . 1 109 109 VAL HG11 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG1 . 52064 1 762 . 1 . 1 109 109 VAL HG12 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG1 . 52064 1 763 . 1 . 1 109 109 VAL HG13 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG1 . 52064 1 764 . 1 . 1 109 109 VAL HG21 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG2 . 52064 1 765 . 1 . 1 109 109 VAL HG22 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG2 . 52064 1 766 . 1 . 1 109 109 VAL HG23 H 1 0.881 0.020 . 1 . . . . . 168 VAL HG2 . 52064 1 767 . 1 . 1 109 109 VAL C C 13 174.868 0.3 . 1 . . . . . 168 VAL C . 52064 1 768 . 1 . 1 109 109 VAL CA C 13 60.614 0.3 . 1 . . . . . 168 VAL CA . 52064 1 769 . 1 . 1 109 109 VAL CB C 13 34.397 0.3 . 1 . . . . . 168 VAL CB . 52064 1 770 . 1 . 1 110 110 THR H H 1 8.555 0.020 . 1 . . . . . 169 THR H . 52064 1 771 . 1 . 1 110 110 THR HA H 1 4.803 0.020 . 1 . . . . . 169 THR HA . 52064 1 772 . 1 . 1 110 110 THR C C 13 174.023 0.3 . 1 . . . . . 169 THR C . 52064 1 773 . 1 . 1 110 110 THR CA C 13 59.083 0.3 . 1 . . . . . 169 THR CA . 52064 1 774 . 1 . 1 110 110 THR CB C 13 71.766 0.3 . 1 . . . . . 169 THR CB . 52064 1 775 . 1 . 1 110 110 THR N N 15 116.633 0.3 . 1 . . . . . 169 THR N . 52064 1 776 . 1 . 1 111 111 VAL H H 1 8.394 0.020 . 1 . . . . . 170 VAL H . 52064 1 777 . 1 . 1 111 111 VAL C C 13 176.090 0.3 . 1 . . . . . 170 VAL C . 52064 1 778 . 1 . 1 111 111 VAL CA C 13 62.553 0.3 . 1 . . . . . 170 VAL CA . 52064 1 779 . 1 . 1 111 111 VAL CB C 13 32.376 0.3 . 1 . . . . . 170 VAL CB . 52064 1 780 . 1 . 1 111 111 VAL N N 15 118.908 0.3 . 1 . . . . . 170 VAL N . 52064 1 781 . 1 . 1 112 112 ALA H H 1 7.557 0.020 . 1 . . . . . 171 ALA H . 52064 1 782 . 1 . 1 112 112 ALA HA H 1 4.015 0.020 . 1 . . . . . 171 ALA HA . 52064 1 783 . 1 . 1 112 112 ALA HB1 H 1 0.998 0.020 . 1 . . . . . 171 ALA HB . 52064 1 784 . 1 . 1 112 112 ALA HB2 H 1 0.998 0.020 . 1 . . . . . 171 ALA HB . 52064 1 785 . 1 . 1 112 112 ALA HB3 H 1 0.998 0.020 . 1 . . . . . 171 ALA HB . 52064 1 786 . 1 . 1 112 112 ALA C C 13 176.926 0.3 . 1 . . . . . 171 ALA C . 52064 1 787 . 1 . 1 112 112 ALA CA C 13 52.015 0.3 . 1 . . . . . 171 ALA CA . 52064 1 788 . 1 . 1 112 112 ALA CB C 13 19.082 0.3 . 1 . . . . . 171 ALA CB . 52064 1 789 . 1 . 1 112 112 ALA N N 15 128.105 0.3 . 1 . . . . . 171 ALA N . 52064 1 790 . 1 . 1 113 113 SER H H 1 8.199 0.020 . 1 . . . . . 172 SER H . 52064 1 791 . 1 . 1 113 113 SER HA H 1 4.261 0.020 . 1 . . . . . 172 SER HA . 52064 1 792 . 1 . 1 113 113 SER C C 13 174.188 0.3 . 1 . . . . . 172 SER C . 52064 1 793 . 1 . 1 113 113 SER CA C 13 57.884 0.3 . 1 . . . . . 172 SER CA . 52064 1 794 . 1 . 1 113 113 SER CB C 13 63.741 0.3 . 1 . . . . . 172 SER CB . 52064 1 795 . 1 . 1 113 113 SER N N 15 115.854 0.3 . 1 . . . . . 172 SER N . 52064 1 796 . 1 . 1 114 114 ASP H H 1 8.366 0.020 . 1 . . . . . 173 ASP H . 52064 1 797 . 1 . 1 114 114 ASP HA H 1 4.483 0.020 . 1 . . . . . 173 ASP HA . 52064 1 798 . 1 . 1 114 114 ASP HB2 H 1 2.600 0.020 . 1 . . . . . 173 ASP HB2 . 52064 1 799 . 1 . 1 114 114 ASP HB3 H 1 2.600 0.020 . 1 . . . . . 173 ASP HB3 . 52064 1 800 . 1 . 1 114 114 ASP C C 13 176.329 0.3 . 1 . . . . . 173 ASP C . 52064 1 801 . 1 . 1 114 114 ASP CA C 13 54.363 0.3 . 1 . . . . . 173 ASP CA . 52064 1 802 . 1 . 1 114 114 ASP CB C 13 40.707 0.3 . 1 . . . . . 173 ASP CB . 52064 1 803 . 1 . 1 114 114 ASP N N 15 122.934 0.3 . 1 . . . . . 173 ASP N . 52064 1 804 . 1 . 1 115 115 ILE H H 1 7.929 0.020 . 1 . . . . . 174 ILE H . 52064 1 805 . 1 . 1 115 115 ILE HA H 1 4.015 0.020 . 1 . . . . . 174 ILE HA . 52064 1 806 . 1 . 1 115 115 ILE HB H 1 1.825 0.020 . 1 . . . . . 174 ILE HB . 52064 1 807 . 1 . 1 115 115 ILE HG12 H 1 1.402 0.020 . 2 . . . . . 174 ILE HG12 . 52064 1 808 . 1 . 1 115 115 ILE HG13 H 1 1.137 0.020 . 2 . . . . . 174 ILE HG13 . 52064 1 809 . 1 . 1 115 115 ILE HG21 H 1 0.859 0.020 . 1 . . . . . 174 ILE HG2 . 52064 1 810 . 1 . 1 115 115 ILE HG22 H 1 0.859 0.020 . 1 . . . . . 174 ILE HG2 . 52064 1 811 . 1 . 1 115 115 ILE HG23 H 1 0.859 0.020 . 1 . . . . . 174 ILE HG2 . 52064 1 812 . 1 . 1 115 115 ILE C C 13 176.173 0.3 . 1 . . . . . 174 ILE C . 52064 1 813 . 1 . 1 115 115 ILE CA C 13 61.303 0.3 . 1 . . . . . 174 ILE CA . 52064 1 814 . 1 . 1 115 115 ILE CB C 13 38.257 0.3 . 1 . . . . . 174 ILE CB . 52064 1 815 . 1 . 1 115 115 ILE CG1 C 13 27.226 0.3 . 1 . . . . . 174 ILE CG1 . 52064 1 816 . 1 . 1 115 115 ILE CG2 C 13 17.478 0.3 . 1 . . . . . 174 ILE CG2 . 52064 1 817 . 1 . 1 115 115 ILE N N 15 120.624 0.3 . 1 . . . . . 174 ILE N . 52064 1 818 . 1 . 1 116 116 ALA H H 1 8.194 0.020 . 1 . . . . . 175 ALA H . 52064 1 819 . 1 . 1 116 116 ALA HA H 1 4.151 0.020 . 1 . . . . . 175 ALA HA . 52064 1 820 . 1 . 1 116 116 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 175 ALA HB . 52064 1 821 . 1 . 1 116 116 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 175 ALA HB . 52064 1 822 . 1 . 1 116 116 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 175 ALA HB . 52064 1 823 . 1 . 1 116 116 ALA C C 13 178.158 0.3 . 1 . . . . . 175 ALA C . 52064 1 824 . 1 . 1 116 116 ALA CA C 13 52.960 0.3 . 1 . . . . . 175 ALA CA . 52064 1 825 . 1 . 1 116 116 ALA CB C 13 18.684 0.3 . 1 . . . . . 175 ALA CB . 52064 1 826 . 1 . 1 116 116 ALA N N 15 127.304 0.3 . 1 . . . . . 175 ALA N . 52064 1 827 . 1 . 1 117 117 GLU H H 1 8.211 0.020 . 1 . . . . . 176 GLU H . 52064 1 828 . 1 . 1 117 117 GLU HA H 1 4.101 0.020 . 1 . . . . . 176 GLU HA . 52064 1 829 . 1 . 1 117 117 GLU HB2 H 1 1.974 0.020 . 1 . . . . . 176 GLU HB2 . 52064 1 830 . 1 . 1 117 117 GLU HB3 H 1 1.974 0.020 . 1 . . . . . 176 GLU HB3 . 52064 1 831 . 1 . 1 117 117 GLU HG2 H 1 2.256 0.020 . 1 . . . . . 176 GLU HG2 . 52064 1 832 . 1 . 1 117 117 GLU HG3 H 1 2.256 0.020 . 1 . . . . . 176 GLU HG3 . 52064 1 833 . 1 . 1 117 117 GLU C C 13 176.651 0.3 . 1 . . . . . 176 GLU C . 52064 1 834 . 1 . 1 117 117 GLU CA C 13 56.863 0.3 . 1 . . . . . 176 GLU CA . 52064 1 835 . 1 . 1 117 117 GLU CB C 13 29.925 0.3 . 1 . . . . . 176 GLU CB . 52064 1 836 . 1 . 1 117 117 GLU CG C 13 36.295 0.3 . 1 . . . . . 176 GLU CG . 52064 1 837 . 1 . 1 117 117 GLU N N 15 119.962 0.3 . 1 . . . . . 176 GLU N . 52064 1 838 . 1 . 1 118 118 ALA H H 1 8.163 0.020 . 1 . . . . . 177 ALA H . 52064 1 839 . 1 . 1 118 118 ALA HA H 1 4.200 0.020 . 1 . . . . . 177 ALA HA . 52064 1 840 . 1 . 1 118 118 ALA HB1 H 1 1.385 0.020 . 1 . . . . . 177 ALA HB . 52064 1 841 . 1 . 1 118 118 ALA HB2 H 1 1.385 0.020 . 1 . . . . . 177 ALA HB . 52064 1 842 . 1 . 1 118 118 ALA HB3 H 1 1.385 0.020 . 1 . . . . . 177 ALA HB . 52064 1 843 . 1 . 1 118 118 ALA C C 13 178.259 0.3 . 1 . . . . . 177 ALA C . 52064 1 844 . 1 . 1 118 118 ALA CA C 13 53.011 0.3 . 1 . . . . . 177 ALA CA . 52064 1 845 . 1 . 1 118 118 ALA CB C 13 18.645 0.3 . 1 . . . . . 177 ALA CB . 52064 1 846 . 1 . 1 118 118 ALA N N 15 124.547 0.3 . 1 . . . . . 177 ALA N . 52064 1 847 . 1 . 1 119 119 ARG H H 1 8.173 0.020 . 1 . . . . . 178 ARG H . 52064 1 848 . 1 . 1 119 119 ARG HA H 1 4.220 0.020 . 1 . . . . . 178 ARG HA . 52064 1 849 . 1 . 1 119 119 ARG HB2 H 1 1.835 0.020 . 1 . . . . . 178 ARG HB2 . 52064 1 850 . 1 . 1 119 119 ARG HB3 H 1 1.835 0.020 . 1 . . . . . 178 ARG HB3 . 52064 1 851 . 1 . 1 119 119 ARG HG2 H 1 1.638 0.020 . 1 . . . . . 178 ARG HG2 . 52064 1 852 . 1 . 1 119 119 ARG HG3 H 1 1.638 0.020 . 1 . . . . . 178 ARG HG3 . 52064 1 853 . 1 . 1 119 119 ARG HD2 H 1 3.177 0.020 . 1 . . . . . 178 ARG HD2 . 52064 1 854 . 1 . 1 119 119 ARG HD3 H 1 3.177 0.020 . 1 . . . . . 178 ARG HD3 . 52064 1 855 . 1 . 1 119 119 ARG C C 13 176.844 0.3 . 1 . . . . . 178 ARG C . 52064 1 856 . 1 . 1 119 119 ARG CA C 13 56.659 0.3 . 1 . . . . . 178 ARG CA . 52064 1 857 . 1 . 1 119 119 ARG CB C 13 30.170 0.3 . 1 . . . . . 178 ARG CB . 52064 1 858 . 1 . 1 119 119 ARG CG C 13 27.012 0.3 . 1 . . . . . 178 ARG CG . 52064 1 859 . 1 . 1 119 119 ARG CD C 13 43.135 0.3 . 1 . . . . . 178 ARG CD . 52064 1 860 . 1 . 1 119 119 ARG N N 15 119.409 0.3 . 1 . . . . . 178 ARG N . 52064 1 861 . 1 . 1 120 120 THR H H 1 7.945 0.020 . 1 . . . . . 179 THR H . 52064 1 862 . 1 . 1 120 120 THR HA H 1 4.163 0.020 . 1 . . . . . 179 THR HA . 52064 1 863 . 1 . 1 120 120 THR HG21 H 1 1.188 0.020 . 1 . . . . . 179 THR HG2 . 52064 1 864 . 1 . 1 120 120 THR HG22 H 1 1.188 0.020 . 1 . . . . . 179 THR HG2 . 52064 1 865 . 1 . 1 120 120 THR HG23 H 1 1.188 0.020 . 1 . . . . . 179 THR HG2 . 52064 1 866 . 1 . 1 120 120 THR C C 13 174.689 0.3 . 1 . . . . . 179 THR C . 52064 1 867 . 1 . 1 120 120 THR CA C 13 62.579 0.3 . 1 . . . . . 179 THR CA . 52064 1 868 . 1 . 1 120 120 THR CB C 13 69.315 0.3 . 1 . . . . . 179 THR CB . 52064 1 869 . 1 . 1 120 120 THR CG2 C 13 21.739 0.3 . 1 . . . . . 179 THR CG2 . 52064 1 870 . 1 . 1 120 120 THR N N 15 114.455 0.3 . 1 . . . . . 179 THR N . 52064 1 871 . 1 . 1 121 121 LYS H H 1 8.080 0.020 . 1 . . . . . 180 LYS H . 52064 1 872 . 1 . 1 121 121 LYS HA H 1 4.211 0.020 . 1 . . . . . 180 LYS HA . 52064 1 873 . 1 . 1 121 121 LYS HB2 H 1 1.772 0.020 . 1 . . . . . 180 LYS HB2 . 52064 1 874 . 1 . 1 121 121 LYS HB3 H 1 1.772 0.020 . 1 . . . . . 180 LYS HB3 . 52064 1 875 . 1 . 1 121 121 LYS HG2 H 1 1.388 0.020 . 1 . . . . . 180 LYS HG2 . 52064 1 876 . 1 . 1 121 121 LYS HG3 H 1 1.388 0.020 . 1 . . . . . 180 LYS HG3 . 52064 1 877 . 1 . 1 121 121 LYS C C 13 176.531 0.3 . 1 . . . . . 180 LYS C . 52064 1 878 . 1 . 1 121 121 LYS CA C 13 56.634 0.3 . 1 . . . . . 180 LYS CA . 52064 1 879 . 1 . 1 121 121 LYS CB C 13 32.682 0.3 . 1 . . . . . 180 LYS CB . 52064 1 880 . 1 . 1 121 121 LYS CG C 13 24.644 0.3 . 1 . . . . . 180 LYS CG . 52064 1 881 . 1 . 1 121 121 LYS N N 15 123.438 0.3 . 1 . . . . . 180 LYS N . 52064 1 882 . 1 . 1 122 122 ILE H H 1 7.970 0.020 . 1 . . . . . 181 ILE H . 52064 1 883 . 1 . 1 122 122 ILE HA H 1 4.003 0.020 . 1 . . . . . 181 ILE HA . 52064 1 884 . 1 . 1 122 122 ILE HB H 1 1.829 0.020 . 1 . . . . . 181 ILE HB . 52064 1 885 . 1 . 1 122 122 ILE HG12 H 1 1.468 0.020 . 2 . . . . . 181 ILE HG12 . 52064 1 886 . 1 . 1 122 122 ILE HG13 H 1 1.178 0.020 . 2 . . . . . 181 ILE HG13 . 52064 1 887 . 1 . 1 122 122 ILE HG21 H 1 0.887 0.020 . 1 . . . . . 181 ILE HG2 . 52064 1 888 . 1 . 1 122 122 ILE HG22 H 1 0.887 0.020 . 1 . . . . . 181 ILE HG2 . 52064 1 889 . 1 . 1 122 122 ILE HG23 H 1 0.887 0.020 . 1 . . . . . 181 ILE HG2 . 52064 1 890 . 1 . 1 122 122 ILE C C 13 176.347 0.3 . 1 . . . . . 181 ILE C . 52064 1 891 . 1 . 1 122 122 ILE CA C 13 61.303 0.3 . 1 . . . . . 181 ILE CA . 52064 1 892 . 1 . 1 122 122 ILE CB C 13 37.950 0.3 . 1 . . . . . 181 ILE CB . 52064 1 893 . 1 . 1 122 122 ILE CG1 C 13 27.409 0.3 . 1 . . . . . 181 ILE CG1 . 52064 1 894 . 1 . 1 122 122 ILE CD1 C 13 17.286 0.3 . 1 . . . . . 181 ILE CD1 . 52064 1 895 . 1 . 1 122 122 ILE N N 15 122.093 0.3 . 1 . . . . . 181 ILE N . 52064 1 896 . 1 . 1 123 123 LEU H H 1 8.162 0.020 . 1 . . . . . 182 LEU H . 52064 1 897 . 1 . 1 123 123 LEU HA H 1 4.237 0.020 . 1 . . . . . 182 LEU HA . 52064 1 898 . 1 . 1 123 123 LEU HB2 H 1 1.582 0.020 . 1 . . . . . 182 LEU HB2 . 52064 1 899 . 1 . 1 123 123 LEU HB3 H 1 1.582 0.020 . 1 . . . . . 182 LEU HB3 . 52064 1 900 . 1 . 1 123 123 LEU HD11 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD1 . 52064 1 901 . 1 . 1 123 123 LEU HD12 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD1 . 52064 1 902 . 1 . 1 123 123 LEU HD13 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD1 . 52064 1 903 . 1 . 1 123 123 LEU HD21 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD2 . 52064 1 904 . 1 . 1 123 123 LEU HD22 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD2 . 52064 1 905 . 1 . 1 123 123 LEU HD23 H 1 0.869 0.020 . 1 . . . . . 182 LEU HD2 . 52064 1 906 . 1 . 1 123 123 LEU C C 13 177.037 0.3 . 1 . . . . . 182 LEU C . 52064 1 907 . 1 . 1 123 123 LEU CA C 13 55.154 0.3 . 1 . . . . . 182 LEU CA . 52064 1 908 . 1 . 1 123 123 LEU CB C 13 42.116 0.3 . 1 . . . . . 182 LEU CB . 52064 1 909 . 1 . 1 123 123 LEU CG C 13 26.960 0.3 . 1 . . . . . 182 LEU CG . 52064 1 910 . 1 . 1 123 123 LEU CD1 C 13 24.689 0.3 . 1 . . . . . 182 LEU CD1 . 52064 1 911 . 1 . 1 123 123 LEU CD2 C 13 23.176 0.3 . 1 . . . . . 182 LEU CD2 . 52064 1 912 . 1 . 1 123 123 LEU N N 15 126.013 0.3 . 1 . . . . . 182 LEU N . 52064 1 913 . 1 . 1 124 124 ALA H H 1 8.056 0.020 . 1 . . . . . 183 ALA H . 52064 1 914 . 1 . 1 124 124 ALA HA H 1 4.163 0.020 . 1 . . . . . 183 ALA HA . 52064 1 915 . 1 . 1 124 124 ALA HB1 H 1 1.335 0.020 . 1 . . . . . 183 ALA HB . 52064 1 916 . 1 . 1 124 124 ALA HB2 H 1 1.335 0.020 . 1 . . . . . 183 ALA HB . 52064 1 917 . 1 . 1 124 124 ALA HB3 H 1 1.335 0.020 . 1 . . . . . 183 ALA HB . 52064 1 918 . 1 . 1 124 124 ALA C C 13 177.441 0.3 . 1 . . . . . 183 ALA C . 52064 1 919 . 1 . 1 124 124 ALA CA C 13 52.449 0.3 . 1 . . . . . 183 ALA CA . 52064 1 920 . 1 . 1 124 124 ALA CB C 13 18.960 0.3 . 1 . . . . . 183 ALA CB . 52064 1 921 . 1 . 1 124 124 ALA N N 15 124.499 0.3 . 1 . . . . . 183 ALA N . 52064 1 922 . 1 . 1 125 125 LYS H H 1 8.022 0.020 . 1 . . . . . 184 LYS H . 52064 1 923 . 1 . 1 125 125 LYS HA H 1 4.175 0.020 . 1 . . . . . 184 LYS HA . 52064 1 924 . 1 . 1 125 125 LYS HB2 H 1 1.749 0.020 . 1 . . . . . 184 LYS HB2 . 52064 1 925 . 1 . 1 125 125 LYS HB3 H 1 1.749 0.020 . 1 . . . . . 184 LYS HB3 . 52064 1 926 . 1 . 1 125 125 LYS HG2 H 1 1.380 0.020 . 1 . . . . . 184 LYS HG2 . 52064 1 927 . 1 . 1 125 125 LYS HG3 H 1 1.380 0.020 . 1 . . . . . 184 LYS HG3 . 52064 1 928 . 1 . 1 125 125 LYS C C 13 176.292 0.3 . 1 . . . . . 184 LYS C . 52064 1 929 . 1 . 1 125 125 LYS CA C 13 56.150 0.3 . 1 . . . . . 184 LYS CA . 52064 1 930 . 1 . 1 125 125 LYS CB C 13 32.804 0.3 . 1 . . . . . 184 LYS CB . 52064 1 931 . 1 . 1 125 125 LYS CG C 13 24.500 0.3 . 1 . . . . . 184 LYS CG . 52064 1 932 . 1 . 1 125 125 LYS N N 15 120.106 0.3 . 1 . . . . . 184 LYS N . 52064 1 933 . 1 . 1 126 126 LEU H H 1 8.095 0.020 . 1 . . . . . 185 LEU H . 52064 1 934 . 1 . 1 126 126 LEU HA H 1 4.235 0.020 . 1 . . . . . 185 LEU HA . 52064 1 935 . 1 . 1 126 126 LEU HB2 H 1 1.570 0.020 . 1 . . . . . 185 LEU HB2 . 52064 1 936 . 1 . 1 126 126 LEU HB3 H 1 1.570 0.020 . 1 . . . . . 185 LEU HB3 . 52064 1 937 . 1 . 1 126 126 LEU HG H 1 1.570 0.020 . 1 . . . . . 185 LEU HG . 52064 1 938 . 1 . 1 126 126 LEU HD11 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD1 . 52064 1 939 . 1 . 1 126 126 LEU HD12 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD1 . 52064 1 940 . 1 . 1 126 126 LEU HD13 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD1 . 52064 1 941 . 1 . 1 126 126 LEU HD21 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD2 . 52064 1 942 . 1 . 1 126 126 LEU HD22 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD2 . 52064 1 943 . 1 . 1 126 126 LEU HD23 H 1 0.842 0.020 . 1 . . . . . 185 LEU HD2 . 52064 1 944 . 1 . 1 126 126 LEU C C 13 176.605 0.3 . 1 . . . . . 185 LEU C . 52064 1 945 . 1 . 1 126 126 LEU CA C 13 54.797 0.3 . 1 . . . . . 185 LEU CA . 52064 1 946 . 1 . 1 126 126 LEU CB C 13 42.116 0.3 . 1 . . . . . 185 LEU CB . 52064 1 947 . 1 . 1 126 126 LEU CG C 13 26.960 0.3 . 1 . . . . . 185 LEU CG . 52064 1 948 . 1 . 1 126 126 LEU CD1 C 13 24.815 0.3 . 1 . . . . . 185 LEU CD1 . 52064 1 949 . 1 . 1 126 126 LEU CD2 C 13 23.302 0.3 . 1 . . . . . 185 LEU CD2 . 52064 1 950 . 1 . 1 126 126 LEU N N 15 123.283 0.3 . 1 . . . . . 185 LEU N . 52064 1 951 . 1 . 1 127 127 ASP H H 1 8.264 0.020 . 1 . . . . . 186 ASP H . 52064 1 952 . 1 . 1 127 127 ASP HA H 1 4.792 0.020 . 1 . . . . . 186 ASP HA . 52064 1 953 . 1 . 1 127 127 ASP C C 13 174.684 0.3 . 1 . . . . . 186 ASP C . 52064 1 954 . 1 . 1 127 127 ASP CA C 13 52.065 0.3 . 1 . . . . . 186 ASP CA . 52064 1 955 . 1 . 1 127 127 ASP CB C 13 40.768 0.3 . 1 . . . . . 186 ASP CB . 52064 1 956 . 1 . 1 127 127 ASP N N 15 122.510 0.3 . 1 . . . . . 186 ASP N . 52064 1 957 . 1 . 1 128 128 PRO HA H 1 4.261 0.020 . 1 . . . . . 187 PRO HA . 52064 1 958 . 1 . 1 128 128 PRO HB2 H 1 2.238 0.020 . 1 . . . . . 187 PRO HB2 . 52064 1 959 . 1 . 1 128 128 PRO HB3 H 1 2.238 0.020 . 1 . . . . . 187 PRO HB3 . 52064 1 960 . 1 . 1 128 128 PRO HG2 H 1 1.939 0.020 . 1 . . . . . 187 PRO HG2 . 52064 1 961 . 1 . 1 128 128 PRO HG3 H 1 1.939 0.020 . 1 . . . . . 187 PRO HG3 . 52064 1 962 . 1 . 1 128 128 PRO HD2 H 1 3.774 0.020 . 1 . . . . . 187 PRO HD2 . 52064 1 963 . 1 . 1 128 128 PRO HD3 H 1 3.774 0.020 . 1 . . . . . 187 PRO HD3 . 52064 1 964 . 1 . 1 128 128 PRO C C 13 176.917 0.3 . 1 . . . . . 187 PRO C . 52064 1 965 . 1 . 1 128 128 PRO CA C 13 63.625 0.3 . 1 . . . . . 187 PRO CA . 52064 1 966 . 1 . 1 128 128 PRO CB C 13 31.886 0.3 . 1 . . . . . 187 PRO CB . 52064 1 967 . 1 . 1 128 128 PRO CG C 13 27.086 0.3 . 1 . . . . . 187 PRO CG . 52064 1 968 . 1 . 1 128 128 PRO CD C 13 50.926 0.3 . 1 . . . . . 187 PRO CD . 52064 1 969 . 1 . 1 129 129 ASP H H 1 8.263 0.020 . 1 . . . . . 188 ASP H . 52064 1 970 . 1 . 1 129 129 ASP HA H 1 4.471 0.020 . 1 . . . . . 188 ASP HA . 52064 1 971 . 1 . 1 129 129 ASP HB2 H 1 2.597 0.020 . 1 . . . . . 188 ASP HB2 . 52064 1 972 . 1 . 1 129 129 ASP HB3 H 1 2.597 0.020 . 1 . . . . . 188 ASP HB3 . 52064 1 973 . 1 . 1 129 129 ASP C C 13 175.952 0.3 . 1 . . . . . 188 ASP C . 52064 1 974 . 1 . 1 129 129 ASP CA C 13 54.337 0.3 . 1 . . . . . 188 ASP CA . 52064 1 975 . 1 . 1 129 129 ASP CB C 13 40.829 0.3 . 1 . . . . . 188 ASP CB . 52064 1 976 . 1 . 1 129 129 ASP N N 15 118.853 0.3 . 1 . . . . . 188 ASP N . 52064 1 977 . 1 . 1 130 130 ASN H H 1 7.979 0.020 . 1 . . . . . 189 ASN H . 52064 1 978 . 1 . 1 130 130 ASN HA H 1 4.557 0.020 . 1 . . . . . 189 ASN HA . 52064 1 979 . 1 . 1 130 130 ASN HB2 H 1 2.757 0.020 . 1 . . . . . 189 ASN HB2 . 52064 1 980 . 1 . 1 130 130 ASN HB3 H 1 2.757 0.020 . 1 . . . . . 189 ASN HB3 . 52064 1 981 . 1 . 1 130 130 ASN C C 13 175.383 0.3 . 1 . . . . . 189 ASN C . 52064 1 982 . 1 . 1 130 130 ASN CA C 13 53.062 0.3 . 1 . . . . . 189 ASN CA . 52064 1 983 . 1 . 1 130 130 ASN CB C 13 38.379 0.3 . 1 . . . . . 189 ASN CB . 52064 1 984 . 1 . 1 130 130 ASN N N 15 118.639 0.3 . 1 . . . . . 189 ASN N . 52064 1 985 . 1 . 1 131 131 HIS H H 1 8.459 0.020 . 1 . . . . . 190 HIS H . 52064 1 986 . 1 . 1 131 131 HIS HB2 H 1 3.246 0.020 . 1 . . . . . 190 HIS HB2 . 52064 1 987 . 1 . 1 131 131 HIS HB3 H 1 3.246 0.020 . 1 . . . . . 190 HIS HB3 . 52064 1 988 . 1 . 1 131 131 HIS C C 13 175.695 0.3 . 1 . . . . . 190 HIS C . 52064 1 989 . 1 . 1 131 131 HIS CA C 13 56.047 0.3 . 1 . . . . . 190 HIS CA . 52064 1 990 . 1 . 1 131 131 HIS CB C 13 28.149 0.3 . 1 . . . . . 190 HIS CB . 52064 1 991 . 1 . 1 131 131 HIS N N 15 119.468 0.3 . 1 . . . . . 190 HIS N . 52064 1 992 . 1 . 1 132 132 GLY H H 1 8.446 0.020 . 1 . . . . . 191 GLY H . 52064 1 993 . 1 . 1 132 132 GLY HA2 H 1 3.867 0.020 . 1 . . . . . 191 GLY HA2 . 52064 1 994 . 1 . 1 132 132 GLY HA3 H 1 3.867 0.020 . 1 . . . . . 191 GLY HA3 . 52064 1 995 . 1 . 1 132 132 GLY C C 13 174.776 0.3 . 1 . . . . . 191 GLY C . 52064 1 996 . 1 . 1 132 132 GLY CA C 13 45.560 0.3 . 1 . . . . . 191 GLY CA . 52064 1 997 . 1 . 1 132 132 GLY N N 15 109.401 0.3 . 1 . . . . . 191 GLY N . 52064 1 998 . 1 . 1 133 133 GLY H H 1 8.237 0.020 . 1 . . . . . 192 GLY H . 52064 1 999 . 1 . 1 133 133 GLY HA2 H 1 3.855 0.020 . 1 . . . . . 192 GLY HA2 . 52064 1 1000 . 1 . 1 133 133 GLY HA3 H 1 3.855 0.020 . 1 . . . . . 192 GLY HA3 . 52064 1 1001 . 1 . 1 133 133 GLY C C 13 174.096 0.3 . 1 . . . . . 192 GLY C . 52064 1 1002 . 1 . 1 133 133 GLY CA C 13 45.127 0.3 . 1 . . . . . 192 GLY CA . 52064 1 1003 . 1 . 1 133 133 GLY N N 15 108.817 0.3 . 1 . . . . . 192 GLY N . 52064 1 1004 . 1 . 1 134 134 ARG H H 1 8.063 0.020 . 1 . . . . . 193 ARG H . 52064 1 1005 . 1 . 1 134 134 ARG HA H 1 4.269 0.020 . 1 . . . . . 193 ARG HA . 52064 1 1006 . 1 . 1 134 134 ARG HB2 H 1 1.752 0.020 . 1 . . . . . 193 ARG HB2 . 52064 1 1007 . 1 . 1 134 134 ARG HB3 H 1 1.752 0.020 . 1 . . . . . 193 ARG HB3 . 52064 1 1008 . 1 . 1 134 134 ARG HG2 H 1 1.637 0.020 . 1 . . . . . 193 ARG HG2 . 52064 1 1009 . 1 . 1 134 134 ARG HG3 H 1 1.637 0.020 . 1 . . . . . 193 ARG HG3 . 52064 1 1010 . 1 . 1 134 134 ARG HD2 H 1 3.146 0.020 . 1 . . . . . 193 ARG HD2 . 52064 1 1011 . 1 . 1 134 134 ARG HD3 H 1 3.146 0.020 . 1 . . . . . 193 ARG HD3 . 52064 1 1012 . 1 . 1 134 134 ARG C C 13 176.090 0.3 . 1 . . . . . 193 ARG C . 52064 1 1013 . 1 . 1 134 134 ARG CA C 13 55.741 0.3 . 1 . . . . . 193 ARG CA . 52064 1 1014 . 1 . 1 134 134 ARG CB C 13 30.599 0.3 . 1 . . . . . 193 ARG CB . 52064 1 1015 . 1 . 1 134 134 ARG CD C 13 43.165 0.3 . 1 . . . . . 193 ARG CD . 52064 1 1016 . 1 . 1 134 134 ARG N N 15 120.341 0.3 . 1 . . . . . 193 ARG N . 52064 1 1017 . 1 . 1 135 135 GLN H H 1 8.445 0.020 . 1 . . . . . 194 GLN H . 52064 1 1018 . 1 . 1 135 135 GLN HA H 1 4.520 0.020 . 1 . . . . . 194 GLN HA . 52064 1 1019 . 1 . 1 135 135 GLN C C 13 174.105 0.3 . 1 . . . . . 194 GLN C . 52064 1 1020 . 1 . 1 135 135 GLN CA C 13 53.623 0.3 . 1 . . . . . 194 GLN CA . 52064 1 1021 . 1 . 1 135 135 GLN CB C 13 28.639 0.3 . 1 . . . . . 194 GLN CB . 52064 1 1022 . 1 . 1 135 135 GLN N N 15 122.922 0.3 . 1 . . . . . 194 GLN N . 52064 1 1023 . 1 . 1 136 136 PRO HA H 1 4.352 0.020 . 1 . . . . . 195 PRO HA . 52064 1 1024 . 1 . 1 136 136 PRO HB2 H 1 2.269 0.020 . 1 . . . . . 195 PRO HB2 . 52064 1 1025 . 1 . 1 136 136 PRO HB3 H 1 2.269 0.020 . 1 . . . . . 195 PRO HB3 . 52064 1 1026 . 1 . 1 136 136 PRO HG2 H 1 1.924 0.020 . 1 . . . . . 195 PRO HG2 . 52064 1 1027 . 1 . 1 136 136 PRO HG3 H 1 1.924 0.020 . 1 . . . . . 195 PRO HG3 . 52064 1 1028 . 1 . 1 136 136 PRO C C 13 176.807 0.3 . 1 . . . . . 195 PRO C . 52064 1 1029 . 1 . 1 136 136 PRO CA C 13 63.293 0.3 . 1 . . . . . 195 PRO CA . 52064 1 1030 . 1 . 1 136 136 PRO CB C 13 31.886 0.3 . 1 . . . . . 195 PRO CB . 52064 1 1031 . 1 . 1 136 136 PRO CG C 13 27.356 0.3 . 1 . . . . . 195 PRO CG . 52064 1 1032 . 1 . 1 137 137 LYS H H 1 8.289 0.020 . 1 . . . . . 196 LYS H . 52064 1 1033 . 1 . 1 137 137 LYS HA H 1 4.200 0.020 . 1 . . . . . 196 LYS HA . 52064 1 1034 . 1 . 1 137 137 LYS HB2 H 1 1.766 0.020 . 1 . . . . . 196 LYS HB2 . 52064 1 1035 . 1 . 1 137 137 LYS HB3 H 1 1.766 0.020 . 1 . . . . . 196 LYS HB3 . 52064 1 1036 . 1 . 1 137 137 LYS HG2 H 1 1.390 0.020 . 1 . . . . . 196 LYS HG2 . 52064 1 1037 . 1 . 1 137 137 LYS HG3 H 1 1.390 0.020 . 1 . . . . . 196 LYS HG3 . 52064 1 1038 . 1 . 1 137 137 LYS C C 13 176.302 0.3 . 1 . . . . . 196 LYS C . 52064 1 1039 . 1 . 1 137 137 LYS CA C 13 56.251 0.3 . 1 . . . . . 196 LYS CA . 52064 1 1040 . 1 . 1 137 137 LYS CB C 13 32.743 0.3 . 1 . . . . . 196 LYS CB . 52064 1 1041 . 1 . 1 137 137 LYS CG C 13 24.477 0.3 . 1 . . . . . 196 LYS CG . 52064 1 1042 . 1 . 1 137 137 LYS CD C 13 28.870 0.3 . 1 . . . . . 196 LYS CD . 52064 1 1043 . 1 . 1 137 137 LYS N N 15 120.413 0.3 . 1 . . . . . 196 LYS N . 52064 1 1044 . 1 . 1 138 138 ASP H H 1 8.239 0.020 . 1 . . . . . 197 ASP H . 52064 1 1045 . 1 . 1 138 138 ASP HA H 1 4.519 0.020 . 1 . . . . . 197 ASP HA . 52064 1 1046 . 1 . 1 138 138 ASP HB2 H 1 2.661 0.020 . 1 . . . . . 197 ASP HB2 . 52064 1 1047 . 1 . 1 138 138 ASP HB3 H 1 2.661 0.020 . 1 . . . . . 197 ASP HB3 . 52064 1 1048 . 1 . 1 138 138 ASP C C 13 176.164 0.3 . 1 . . . . . 197 ASP C . 52064 1 1049 . 1 . 1 138 138 ASP CA C 13 54.439 0.3 . 1 . . . . . 197 ASP CA . 52064 1 1050 . 1 . 1 138 138 ASP CB C 13 40.646 0.3 . 1 . . . . . 197 ASP CB . 52064 1 1051 . 1 . 1 138 138 ASP N N 15 121.164 0.3 . 1 . . . . . 197 ASP N . 52064 1 1052 . 1 . 1 139 139 VAL H H 1 7.874 0.020 . 1 . . . . . 198 VAL H . 52064 1 1053 . 1 . 1 139 139 VAL HA H 1 3.917 0.020 . 1 . . . . . 198 VAL HA . 52064 1 1054 . 1 . 1 139 139 VAL HB H 1 2.027 0.020 . 1 . . . . . 198 VAL HB . 52064 1 1055 . 1 . 1 139 139 VAL HG11 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG1 . 52064 1 1056 . 1 . 1 139 139 VAL HG12 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG1 . 52064 1 1057 . 1 . 1 139 139 VAL HG13 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG1 . 52064 1 1058 . 1 . 1 139 139 VAL HG21 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG2 . 52064 1 1059 . 1 . 1 139 139 VAL HG22 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG2 . 52064 1 1060 . 1 . 1 139 139 VAL HG23 H 1 0.855 0.020 . 1 . . . . . 198 VAL HG2 . 52064 1 1061 . 1 . 1 139 139 VAL C C 13 175.814 0.3 . 1 . . . . . 198 VAL C . 52064 1 1062 . 1 . 1 139 139 VAL CA C 13 62.183 0.3 . 1 . . . . . 198 VAL CA . 52064 1 1063 . 1 . 1 139 139 VAL CB C 13 32.498 0.3 . 1 . . . . . 198 VAL CB . 52064 1 1064 . 1 . 1 139 139 VAL CG1 C 13 21.045 0.3 . 1 . . . . . 198 VAL CG1 . 52064 1 1065 . 1 . 1 139 139 VAL CG2 C 13 20.290 0.3 . 1 . . . . . 198 VAL CG2 . 52064 1 1066 . 1 . 1 139 139 VAL N N 15 118.887 0.3 . 1 . . . . . 198 VAL N . 52064 1 1067 . 1 . 1 140 140 ASP H H 1 8.242 0.020 . 1 . . . . . 199 ASP H . 52064 1 1068 . 1 . 1 140 140 ASP HA H 1 4.410 0.020 . 1 . . . . . 199 ASP HA . 52064 1 1069 . 1 . 1 140 140 ASP HB2 H 1 2.555 0.020 . 1 . . . . . 199 ASP HB2 . 52064 1 1070 . 1 . 1 140 140 ASP HB3 H 1 2.555 0.020 . 1 . . . . . 199 ASP HB3 . 52064 1 1071 . 1 . 1 140 140 ASP C C 13 176.641 0.3 . 1 . . . . . 199 ASP C . 52064 1 1072 . 1 . 1 140 140 ASP CA C 13 54.363 0.3 . 1 . . . . . 199 ASP CA . 52064 1 1073 . 1 . 1 140 140 ASP CB C 13 40.584 0.3 . 1 . . . . . 199 ASP CB . 52064 1 1074 . 1 . 1 140 140 ASP N N 15 123.056 0.3 . 1 . . . . . 199 ASP N . 52064 1 1075 . 1 . 1 141 141 THR H H 1 7.780 0.020 . 1 . . . . . 200 THR H . 52064 1 1076 . 1 . 1 141 141 THR HA H 1 4.064 0.020 . 1 . . . . . 200 THR HA . 52064 1 1077 . 1 . 1 141 141 THR HG21 H 1 1.014 0.020 . 1 . . . . . 200 THR HG2 . 52064 1 1078 . 1 . 1 141 141 THR HG22 H 1 1.014 0.020 . 1 . . . . . 200 THR HG2 . 52064 1 1079 . 1 . 1 141 141 THR HG23 H 1 1.014 0.020 . 1 . . . . . 200 THR HG2 . 52064 1 1080 . 1 . 1 141 141 THR C C 13 174.464 0.3 . 1 . . . . . 200 THR C . 52064 1 1081 . 1 . 1 141 141 THR CA C 13 62.196 0.3 . 1 . . . . . 200 THR CA . 52064 1 1082 . 1 . 1 141 141 THR CB C 13 69.315 0.3 . 1 . . . . . 200 THR CB . 52064 1 1083 . 1 . 1 141 141 THR CG2 C 13 21.457 0.3 . 1 . . . . . 200 THR CG2 . 52064 1 1084 . 1 . 1 141 141 THR N N 15 114.048 0.3 . 1 . . . . . 200 THR N . 52064 1 1085 . 1 . 1 142 142 TRP H H 1 7.922 0.020 . 1 . . . . . 201 TRP H . 52064 1 1086 . 1 . 1 142 142 TRP HA H 1 4.603 0.020 . 1 . . . . . 201 TRP HA . 52064 1 1087 . 1 . 1 142 142 TRP HB2 H 1 3.252 0.020 . 1 . . . . . 201 TRP HB2 . 52064 1 1088 . 1 . 1 142 142 TRP HB3 H 1 3.252 0.020 . 1 . . . . . 201 TRP HB3 . 52064 1 1089 . 1 . 1 142 142 TRP C C 13 176.228 0.3 . 1 . . . . . 201 TRP C . 52064 1 1090 . 1 . 1 142 142 TRP CA C 13 57.220 0.3 . 1 . . . . . 201 TRP CA . 52064 1 1091 . 1 . 1 142 142 TRP CB C 13 29.251 0.3 . 1 . . . . . 201 TRP CB . 52064 1 1092 . 1 . 1 142 142 TRP N N 15 122.241 0.3 . 1 . . . . . 201 TRP N . 52064 1 1093 . 1 . 1 143 143 SER H H 1 7.965 0.020 . 1 . . . . . 202 SER H . 52064 1 1094 . 1 . 1 143 143 SER HA H 1 4.200 0.020 . 1 . . . . . 202 SER HA . 52064 1 1095 . 1 . 1 143 143 SER C C 13 173.563 0.3 . 1 . . . . . 202 SER C . 52064 1 1096 . 1 . 1 143 143 SER CA C 13 58.343 0.3 . 1 . . . . . 202 SER CA . 52064 1 1097 . 1 . 1 143 143 SER CB C 13 63.312 0.3 . 1 . . . . . 202 SER CB . 52064 1 1098 . 1 . 1 143 143 SER N N 15 117.187 0.3 . 1 . . . . . 202 SER N . 52064 1 1099 . 1 . 1 144 144 HIS H H 1 8.036 0.020 . 1 . . . . . 203 HIS H . 52064 1 1100 . 1 . 1 144 144 HIS HA H 1 4.766 0.020 . 1 . . . . . 203 HIS HA . 52064 1 1101 . 1 . 1 144 144 HIS C C 13 172.552 0.3 . 1 . . . . . 203 HIS C . 52064 1 1102 . 1 . 1 144 144 HIS CA C 13 53.623 0.3 . 1 . . . . . 203 HIS CA . 52064 1 1103 . 1 . 1 144 144 HIS N N 15 120.945 0.3 . 1 . . . . . 203 HIS N . 52064 1 1104 . 1 . 1 145 145 PRO HA H 1 4.409 0.020 . 1 . . . . . 204 PRO HA . 52064 1 1105 . 1 . 1 145 145 PRO HB2 H 1 2.279 0.020 . 2 . . . . . 204 PRO HB2 . 52064 1 1106 . 1 . 1 145 145 PRO HB3 H 1 1.983 0.020 . 2 . . . . . 204 PRO HB3 . 52064 1 1107 . 1 . 1 145 145 PRO HG2 H 1 1.811 0.020 . 1 . . . . . 204 PRO HG2 . 52064 1 1108 . 1 . 1 145 145 PRO HG3 H 1 1.811 0.020 . 1 . . . . . 204 PRO HG3 . 52064 1 1109 . 1 . 1 145 145 PRO CA C 13 63.165 0.3 . 1 . . . . . 204 PRO CA . 52064 1 1110 . 1 . 1 145 145 PRO CB C 13 31.947 0.3 . 1 . . . . . 204 PRO CB . 52064 1 1111 . 1 . 1 145 145 PRO CG C 13 27.301 0.3 . 1 . . . . . 204 PRO CG . 52064 1 1112 . 1 . 1 146 146 GLN H H 1 8.497 0.020 . 1 . . . . . 205 GLN H . 52064 1 1113 . 1 . 1 146 146 GLN HA H 1 4.138 0.020 . 1 . . . . . 205 GLN HA . 52064 1 1114 . 1 . 1 146 146 GLN HB2 H 1 1.887 0.020 . 1 . . . . . 205 GLN HB2 . 52064 1 1115 . 1 . 1 146 146 GLN HB3 H 1 1.887 0.020 . 1 . . . . . 205 GLN HB3 . 52064 1 1116 . 1 . 1 146 146 GLN HG2 H 1 2.183 0.020 . 1 . . . . . 205 GLN HG2 . 52064 1 1117 . 1 . 1 146 146 GLN HG3 H 1 2.183 0.020 . 1 . . . . . 205 GLN HG3 . 52064 1 1118 . 1 . 1 146 146 GLN C C 13 175.520 0.3 . 1 . . . . . 205 GLN C . 52064 1 1119 . 1 . 1 146 146 GLN CA C 13 55.766 0.3 . 1 . . . . . 205 GLN CA . 52064 1 1120 . 1 . 1 146 146 GLN CB C 13 29.129 0.3 . 1 . . . . . 205 GLN CB . 52064 1 1121 . 1 . 1 146 146 GLN CG C 13 33.530 0.3 . 1 . . . . . 205 GLN CG . 52064 1 1122 . 1 . 1 146 146 GLN N N 15 120.651 0.3 . 1 . . . . . 205 GLN N . 52064 1 1123 . 1 . 1 147 147 PHE H H 1 8.081 0.020 . 1 . . . . . 206 PHE H . 52064 1 1124 . 1 . 1 147 147 PHE HA H 1 4.600 0.020 . 1 . . . . . 206 PHE HA . 52064 1 1125 . 1 . 1 147 147 PHE HB2 H 1 3.138 0.020 . 2 . . . . . 206 PHE HB2 . 52064 1 1126 . 1 . 1 147 147 PHE HB3 H 1 2.984 0.020 . 2 . . . . . 206 PHE HB3 . 52064 1 1127 . 1 . 1 147 147 PHE C C 13 175.373 0.3 . 1 . . . . . 206 PHE C . 52064 1 1128 . 1 . 1 147 147 PHE CA C 13 57.195 0.3 . 1 . . . . . 206 PHE CA . 52064 1 1129 . 1 . 1 147 147 PHE N N 15 120.436 0.3 . 1 . . . . . 206 PHE N . 52064 1 1130 . 1 . 1 148 148 GLU H H 1 8.253 0.020 . 1 . . . . . 207 GLU H . 52064 1 1131 . 1 . 1 148 148 GLU HA H 1 4.188 0.020 . 1 . . . . . 207 GLU HA . 52064 1 1132 . 1 . 1 148 148 GLU HB2 H 1 1.913 0.020 . 1 . . . . . 207 GLU HB2 . 52064 1 1133 . 1 . 1 148 148 GLU HB3 H 1 1.913 0.020 . 1 . . . . . 207 GLU HB3 . 52064 1 1134 . 1 . 1 148 148 GLU HG2 H 1 2.196 0.020 . 1 . . . . . 207 GLU HG2 . 52064 1 1135 . 1 . 1 148 148 GLU HG3 H 1 2.196 0.020 . 1 . . . . . 207 GLU HG3 . 52064 1 1136 . 1 . 1 148 148 GLU C C 13 175.098 0.3 . 1 . . . . . 207 GLU C . 52064 1 1137 . 1 . 1 148 148 GLU CA C 13 56.404 0.3 . 1 . . . . . 207 GLU CA . 52064 1 1138 . 1 . 1 148 148 GLU CB C 13 30.170 0.3 . 1 . . . . . 207 GLU CB . 52064 1 1139 . 1 . 1 148 148 GLU CG C 13 36.073 0.3 . 1 . . . . . 207 GLU CG . 52064 1 1140 . 1 . 1 148 148 GLU N N 15 122.749 0.3 . 1 . . . . . 207 GLU N . 52064 1 1141 . 1 . 1 149 149 LYS H H 1 7.831 0.020 . 1 . . . . . 208 LYS H . 52064 1 1142 . 1 . 1 149 149 LYS HA H 1 4.025 0.020 . 1 . . . . . 208 LYS HA . 52064 1 1143 . 1 . 1 149 149 LYS C C 13 181.093 0.3 . 1 . . . . . 208 LYS C . 52064 1 1144 . 1 . 1 149 149 LYS CA C 13 57.629 0.3 . 1 . . . . . 208 LYS CA . 52064 1 1145 . 1 . 1 149 149 LYS CB C 13 33.478 0.3 . 1 . . . . . 208 LYS CB . 52064 1 1146 . 1 . 1 149 149 LYS N N 15 127.272 0.3 . 1 . . . . . 208 LYS N . 52064 1 stop_ save_