data_34813 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34813 _Entry.Title ; BRICHOS trimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-30 _Entry.Accession_date 2023-04-30 _Entry.Last_release_date 2023-05-19 _Entry.Original_release_date 2023-05-19 _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 NMR' _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 . _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 D. Ghosh D. . . . 34813 2 F. Torres F. . . . 34813 3 P. Guentert P. . . . 34813 4 R. Riek R. . . . 34813 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 34813 PROTEIN . 34813 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34813 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 34813 '15N chemical shifts' 98 34813 '1H chemical shifts' 623 34813 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 . . 2024-06-20 . original BMRB . 34813 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OX2 'BMRB Entry Tracking System' 34813 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34813 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Ghosh D. . . . 34813 1 2 F. Torres F. . . . 34813 1 3 P. Guentert P. . . . 34813 1 4 R. Riek R. . . . 34813 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34813 _Assembly.ID 1 _Assembly.Name 'Pulmonary surfactant-associated protein C (Fragment)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34813 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34813 1 3 unit_3 1 $entity_1 C C yes . . . . . . 34813 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 37 37 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 34813 1 2 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . . . 34813 1 3 disulfide single . 2 . 1 CYS 37 37 SG . 2 . 1 CYS 65 65 SG . . . . . . . . . . . . 34813 1 4 disulfide single . 2 . 1 CYS 38 38 SG . 2 . 1 CYS 106 106 SG . . . . . . . . . . . . 34813 1 5 disulfide single . 3 . 1 CYS 37 37 SG . 3 . 1 CYS 65 65 SG . . . . . . . . . . . . 34813 1 6 disulfide single . 3 . 1 CYS 38 38 SG . 3 . 1 CYS 106 106 SG . . . . . . . . . . . . 34813 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34813 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEHLVTTATFSIGSTGLVV YDYQQLLIAYKPAPGTCCYI MKIAPESIPSLEALTRKVHN FQMECSLQAKPAVPTSKLGQ AEGRDAGSAPSGGDPAFLGM AVSTLCGEVPLYYI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12007.753 _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 84 GLY . 34813 1 2 85 SER . 34813 1 3 86 GLU . 34813 1 4 87 HIS . 34813 1 5 88 LEU . 34813 1 6 89 VAL . 34813 1 7 90 THR . 34813 1 8 91 THR . 34813 1 9 92 ALA . 34813 1 10 93 THR . 34813 1 11 94 PHE . 34813 1 12 95 SER . 34813 1 13 96 ILE . 34813 1 14 97 GLY . 34813 1 15 98 SER . 34813 1 16 99 THR . 34813 1 17 100 GLY . 34813 1 18 101 LEU . 34813 1 19 102 VAL . 34813 1 20 103 VAL . 34813 1 21 104 TYR . 34813 1 22 105 ASP . 34813 1 23 106 TYR . 34813 1 24 107 GLN . 34813 1 25 108 GLN . 34813 1 26 109 LEU . 34813 1 27 110 LEU . 34813 1 28 111 ILE . 34813 1 29 112 ALA . 34813 1 30 113 TYR . 34813 1 31 114 LYS . 34813 1 32 115 PRO . 34813 1 33 116 ALA . 34813 1 34 117 PRO . 34813 1 35 118 GLY . 34813 1 36 119 THR . 34813 1 37 120 CYS . 34813 1 38 121 CYS . 34813 1 39 122 TYR . 34813 1 40 123 ILE . 34813 1 41 124 MET . 34813 1 42 125 LYS . 34813 1 43 126 ILE . 34813 1 44 127 ALA . 34813 1 45 128 PRO . 34813 1 46 129 GLU . 34813 1 47 130 SER . 34813 1 48 131 ILE . 34813 1 49 132 PRO . 34813 1 50 133 SER . 34813 1 51 134 LEU . 34813 1 52 135 GLU . 34813 1 53 136 ALA . 34813 1 54 137 LEU . 34813 1 55 138 THR . 34813 1 56 139 ARG . 34813 1 57 140 LYS . 34813 1 58 141 VAL . 34813 1 59 142 HIS . 34813 1 60 143 ASN . 34813 1 61 144 PHE . 34813 1 62 145 GLN . 34813 1 63 146 MET . 34813 1 64 147 GLU . 34813 1 65 148 CYS . 34813 1 66 149 SER . 34813 1 67 150 LEU . 34813 1 68 151 GLN . 34813 1 69 152 ALA . 34813 1 70 153 LYS . 34813 1 71 154 PRO . 34813 1 72 155 ALA . 34813 1 73 156 VAL . 34813 1 74 157 PRO . 34813 1 75 158 THR . 34813 1 76 159 SER . 34813 1 77 160 LYS . 34813 1 78 161 LEU . 34813 1 79 162 GLY . 34813 1 80 163 GLN . 34813 1 81 164 ALA . 34813 1 82 165 GLU . 34813 1 83 166 GLY . 34813 1 84 167 ARG . 34813 1 85 168 ASP . 34813 1 86 169 ALA . 34813 1 87 170 GLY . 34813 1 88 171 SER . 34813 1 89 172 ALA . 34813 1 90 173 PRO . 34813 1 91 174 SER . 34813 1 92 175 GLY . 34813 1 93 176 GLY . 34813 1 94 177 ASP . 34813 1 95 178 PRO . 34813 1 96 179 ALA . 34813 1 97 180 PHE . 34813 1 98 181 LEU . 34813 1 99 182 GLY . 34813 1 100 183 MET . 34813 1 101 184 ALA . 34813 1 102 185 VAL . 34813 1 103 186 SER . 34813 1 104 187 THR . 34813 1 105 188 LEU . 34813 1 106 189 CYS . 34813 1 107 190 GLY . 34813 1 108 191 GLU . 34813 1 109 192 VAL . 34813 1 110 193 PRO . 34813 1 111 194 LEU . 34813 1 112 195 TYR . 34813 1 113 196 TYR . 34813 1 114 197 ILE . 34813 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 34813 1 . SER 2 2 34813 1 . GLU 3 3 34813 1 . HIS 4 4 34813 1 . LEU 5 5 34813 1 . VAL 6 6 34813 1 . THR 7 7 34813 1 . THR 8 8 34813 1 . ALA 9 9 34813 1 . THR 10 10 34813 1 . PHE 11 11 34813 1 . SER 12 12 34813 1 . ILE 13 13 34813 1 . GLY 14 14 34813 1 . SER 15 15 34813 1 . THR 16 16 34813 1 . GLY 17 17 34813 1 . LEU 18 18 34813 1 . VAL 19 19 34813 1 . VAL 20 20 34813 1 . TYR 21 21 34813 1 . ASP 22 22 34813 1 . TYR 23 23 34813 1 . GLN 24 24 34813 1 . GLN 25 25 34813 1 . LEU 26 26 34813 1 . LEU 27 27 34813 1 . ILE 28 28 34813 1 . ALA 29 29 34813 1 . TYR 30 30 34813 1 . LYS 31 31 34813 1 . PRO 32 32 34813 1 . ALA 33 33 34813 1 . PRO 34 34 34813 1 . GLY 35 35 34813 1 . THR 36 36 34813 1 . CYS 37 37 34813 1 . CYS 38 38 34813 1 . TYR 39 39 34813 1 . ILE 40 40 34813 1 . MET 41 41 34813 1 . LYS 42 42 34813 1 . ILE 43 43 34813 1 . ALA 44 44 34813 1 . PRO 45 45 34813 1 . GLU 46 46 34813 1 . SER 47 47 34813 1 . ILE 48 48 34813 1 . PRO 49 49 34813 1 . SER 50 50 34813 1 . LEU 51 51 34813 1 . GLU 52 52 34813 1 . ALA 53 53 34813 1 . LEU 54 54 34813 1 . THR 55 55 34813 1 . ARG 56 56 34813 1 . LYS 57 57 34813 1 . VAL 58 58 34813 1 . HIS 59 59 34813 1 . ASN 60 60 34813 1 . PHE 61 61 34813 1 . GLN 62 62 34813 1 . MET 63 63 34813 1 . GLU 64 64 34813 1 . CYS 65 65 34813 1 . SER 66 66 34813 1 . LEU 67 67 34813 1 . GLN 68 68 34813 1 . ALA 69 69 34813 1 . LYS 70 70 34813 1 . PRO 71 71 34813 1 . ALA 72 72 34813 1 . VAL 73 73 34813 1 . PRO 74 74 34813 1 . THR 75 75 34813 1 . SER 76 76 34813 1 . LYS 77 77 34813 1 . LEU 78 78 34813 1 . GLY 79 79 34813 1 . GLN 80 80 34813 1 . ALA 81 81 34813 1 . GLU 82 82 34813 1 . GLY 83 83 34813 1 . ARG 84 84 34813 1 . ASP 85 85 34813 1 . ALA 86 86 34813 1 . GLY 87 87 34813 1 . SER 88 88 34813 1 . ALA 89 89 34813 1 . PRO 90 90 34813 1 . SER 91 91 34813 1 . GLY 92 92 34813 1 . GLY 93 93 34813 1 . ASP 94 94 34813 1 . PRO 95 95 34813 1 . ALA 96 96 34813 1 . PHE 97 97 34813 1 . LEU 98 98 34813 1 . GLY 99 99 34813 1 . MET 100 100 34813 1 . ALA 101 101 34813 1 . VAL 102 102 34813 1 . SER 103 103 34813 1 . THR 104 104 34813 1 . LEU 105 105 34813 1 . CYS 106 106 34813 1 . GLY 107 107 34813 1 . GLU 108 108 34813 1 . VAL 109 109 34813 1 . PRO 110 110 34813 1 . LEU 111 111 34813 1 . TYR 112 112 34813 1 . TYR 113 113 34813 1 . ILE 114 114 34813 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34813 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SFTPC . 34813 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34813 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34813 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34813 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] BRICHOS monomer, 25 mM potassium phosphate, 25 mM NaCl, 0.01 % sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BRICHOS monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34813 1 2 'potassium phosphate' none . . . . . . 25 . . mM . . . . 34813 1 3 NaCl none . . . . . . 25 . . mM . . . . 34813 1 4 'sodium azide' none . . . . . . 0.01 . . % . . . . 34813 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 34813 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34813 1 pH 6.8 . pH 34813 1 pressure 1 . bar 34813 1 temperature 298 . K 34813 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34813 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Guentert' . . 34813 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34813 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 34813 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34813 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 700 . . . 34813 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34813 _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 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34813 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34813 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34813 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34813 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34813 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 34813 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NOESY . . . 34813 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLU H H 1 8.753 0.020 . 1 . . . . A 86 GLU H . 34813 1 2 . 1 . 1 3 3 GLU CA C 13 57.403 0.400 . 1 . . . . A 86 GLU CA . 34813 1 3 . 1 . 1 3 3 GLU CB C 13 29.374 0.400 . 1 . . . . A 86 GLU CB . 34813 1 4 . 1 . 1 3 3 GLU N N 15 123.155 0.400 . 1 . . . . A 86 GLU N . 34813 1 5 . 1 . 1 4 4 HIS H H 1 8.184 0.020 . 1 . . . . A 87 HIS H . 34813 1 6 . 1 . 1 4 4 HIS HA H 1 4.421 0.020 . 1 . . . . A 87 HIS HA . 34813 1 7 . 1 . 1 4 4 HIS HB2 H 1 1.888 0.020 . 2 . . . . A 87 HIS HB2 . 34813 1 8 . 1 . 1 4 4 HIS HB3 H 1 2.065 0.020 . 2 . . . . A 87 HIS HB3 . 34813 1 9 . 1 . 1 4 4 HIS CA C 13 56.407 0.400 . 1 . . . . A 87 HIS CA . 34813 1 10 . 1 . 1 4 4 HIS CB C 13 30.288 0.400 . 1 . . . . A 87 HIS CB . 34813 1 11 . 1 . 1 4 4 HIS N N 15 120.190 0.400 . 1 . . . . A 87 HIS N . 34813 1 12 . 1 . 1 5 5 LEU H H 1 8.029 0.020 . 1 . . . . A 88 LEU H . 34813 1 13 . 1 . 1 5 5 LEU HA H 1 4.401 0.020 . 1 . . . . A 88 LEU HA . 34813 1 14 . 1 . 1 5 5 LEU HB2 H 1 1.564 0.020 . 2 . . . . A 88 LEU HB2 . 34813 1 15 . 1 . 1 5 5 LEU HB3 H 1 1.599 0.020 . 2 . . . . A 88 LEU HB3 . 34813 1 16 . 1 . 1 5 5 LEU HG H 1 1.436 0.020 . 1 . . . . A 88 LEU HG . 34813 1 17 . 1 . 1 5 5 LEU HD11 H 1 0.869 0.020 . 2 . . . . A 88 LEU HD11 . 34813 1 18 . 1 . 1 5 5 LEU HD12 H 1 0.869 0.020 . 2 . . . . A 88 LEU HD12 . 34813 1 19 . 1 . 1 5 5 LEU HD13 H 1 0.869 0.020 . 2 . . . . A 88 LEU HD13 . 34813 1 20 . 1 . 1 5 5 LEU HD21 H 1 0.830 0.020 . 2 . . . . A 88 LEU HD21 . 34813 1 21 . 1 . 1 5 5 LEU HD22 H 1 0.830 0.020 . 2 . . . . A 88 LEU HD22 . 34813 1 22 . 1 . 1 5 5 LEU HD23 H 1 0.830 0.020 . 2 . . . . A 88 LEU HD23 . 34813 1 23 . 1 . 1 5 5 LEU CA C 13 54.756 0.400 . 1 . . . . A 88 LEU CA . 34813 1 24 . 1 . 1 5 5 LEU CB C 13 42.206 0.400 . 1 . . . . A 88 LEU CB . 34813 1 25 . 1 . 1 5 5 LEU CG C 13 26.923 0.400 . 1 . . . . A 88 LEU CG . 34813 1 26 . 1 . 1 5 5 LEU CD1 C 13 25.053 0.400 . 1 . . . . A 88 LEU CD1 . 34813 1 27 . 1 . 1 5 5 LEU CD2 C 13 23.890 0.400 . 1 . . . . A 88 LEU CD2 . 34813 1 28 . 1 . 1 5 5 LEU N N 15 123.613 0.400 . 1 . . . . A 88 LEU N . 34813 1 29 . 1 . 1 6 6 VAL H H 1 7.991 0.020 . 1 . . . . A 89 VAL H . 34813 1 30 . 1 . 1 6 6 VAL HA H 1 4.239 0.020 . 1 . . . . A 89 VAL HA . 34813 1 31 . 1 . 1 6 6 VAL HB H 1 2.099 0.020 . 1 . . . . A 89 VAL HB . 34813 1 32 . 1 . 1 6 6 VAL HG11 H 1 0.979 0.020 . 2 . . . . A 89 VAL HG11 . 34813 1 33 . 1 . 1 6 6 VAL HG12 H 1 0.979 0.020 . 2 . . . . A 89 VAL HG12 . 34813 1 34 . 1 . 1 6 6 VAL HG13 H 1 0.979 0.020 . 2 . . . . A 89 VAL HG13 . 34813 1 35 . 1 . 1 6 6 VAL HG21 H 1 0.962 0.020 . 2 . . . . A 89 VAL HG21 . 34813 1 36 . 1 . 1 6 6 VAL HG22 H 1 0.962 0.020 . 2 . . . . A 89 VAL HG22 . 34813 1 37 . 1 . 1 6 6 VAL HG23 H 1 0.962 0.020 . 2 . . . . A 89 VAL HG23 . 34813 1 38 . 1 . 1 6 6 VAL CA C 13 61.902 0.400 . 1 . . . . A 89 VAL CA . 34813 1 39 . 1 . 1 6 6 VAL CG1 C 13 21.172 0.400 . 1 . . . . A 89 VAL CG1 . 34813 1 40 . 1 . 1 6 6 VAL CG2 C 13 21.855 0.400 . 1 . . . . A 89 VAL CG2 . 34813 1 41 . 1 . 1 6 6 VAL N N 15 122.292 0.400 . 1 . . . . A 89 VAL N . 34813 1 42 . 1 . 1 7 7 THR H H 1 8.364 0.020 . 1 . . . . A 90 THR H . 34813 1 43 . 1 . 1 7 7 THR HB H 1 4.428 0.020 . 1 . . . . A 90 THR HB . 34813 1 44 . 1 . 1 7 7 THR HG21 H 1 1.354 0.020 . 1 . . . . A 90 THR HG21 . 34813 1 45 . 1 . 1 7 7 THR HG22 H 1 1.354 0.020 . 1 . . . . A 90 THR HG22 . 34813 1 46 . 1 . 1 7 7 THR HG23 H 1 1.354 0.020 . 1 . . . . A 90 THR HG23 . 34813 1 47 . 1 . 1 7 7 THR CA C 13 62.306 0.400 . 1 . . . . A 90 THR CA . 34813 1 48 . 1 . 1 7 7 THR CB C 13 70.147 0.400 . 1 . . . . A 90 THR CB . 34813 1 49 . 1 . 1 7 7 THR CG2 C 13 22.245 0.400 . 1 . . . . A 90 THR CG2 . 34813 1 50 . 1 . 1 7 7 THR N N 15 118.648 0.400 . 1 . . . . A 90 THR N . 34813 1 51 . 1 . 1 8 8 THR H H 1 8.068 0.020 . 1 . . . . A 91 THR H . 34813 1 52 . 1 . 1 8 8 THR HA H 1 5.424 0.020 . 1 . . . . A 91 THR HA . 34813 1 53 . 1 . 1 8 8 THR HB H 1 4.099 0.020 . 1 . . . . A 91 THR HB . 34813 1 54 . 1 . 1 8 8 THR HG21 H 1 1.283 0.020 . 1 . . . . A 91 THR HG21 . 34813 1 55 . 1 . 1 8 8 THR HG22 H 1 1.283 0.020 . 1 . . . . A 91 THR HG22 . 34813 1 56 . 1 . 1 8 8 THR HG23 H 1 1.283 0.020 . 1 . . . . A 91 THR HG23 . 34813 1 57 . 1 . 1 8 8 THR CA C 13 60.966 0.400 . 1 . . . . A 91 THR CA . 34813 1 58 . 1 . 1 8 8 THR CB C 13 72.933 0.400 . 1 . . . . A 91 THR CB . 34813 1 59 . 1 . 1 8 8 THR CG2 C 13 21.917 0.400 . 1 . . . . A 91 THR CG2 . 34813 1 60 . 1 . 1 8 8 THR N N 15 112.786 0.400 . 1 . . . . A 91 THR N . 34813 1 61 . 1 . 1 9 9 ALA H H 1 8.678 0.020 . 1 . . . . A 92 ALA H . 34813 1 62 . 1 . 1 9 9 ALA HA H 1 4.519 0.020 . 1 . . . . A 92 ALA HA . 34813 1 63 . 1 . 1 9 9 ALA HB1 H 1 1.349 0.020 . 1 . . . . A 92 ALA HB1 . 34813 1 64 . 1 . 1 9 9 ALA HB2 H 1 1.349 0.020 . 1 . . . . A 92 ALA HB2 . 34813 1 65 . 1 . 1 9 9 ALA HB3 H 1 1.349 0.020 . 1 . . . . A 92 ALA HB3 . 34813 1 66 . 1 . 1 9 9 ALA CA C 13 52.366 0.400 . 1 . . . . A 92 ALA CA . 34813 1 67 . 1 . 1 9 9 ALA CB C 13 24.137 0.400 . 1 . . . . A 92 ALA CB . 34813 1 68 . 1 . 1 9 9 ALA N N 15 122.376 0.400 . 1 . . . . A 92 ALA N . 34813 1 69 . 1 . 1 10 10 THR H H 1 6.888 0.020 . 1 . . . . A 93 THR H . 34813 1 70 . 1 . 1 10 10 THR HA H 1 4.875 0.020 . 1 . . . . A 93 THR HA . 34813 1 71 . 1 . 1 10 10 THR HB H 1 3.812 0.020 . 1 . . . . A 93 THR HB . 34813 1 72 . 1 . 1 10 10 THR HG21 H 1 1.123 0.020 . 1 . . . . A 93 THR HG21 . 34813 1 73 . 1 . 1 10 10 THR HG22 H 1 1.123 0.020 . 1 . . . . A 93 THR HG22 . 34813 1 74 . 1 . 1 10 10 THR HG23 H 1 1.123 0.020 . 1 . . . . A 93 THR HG23 . 34813 1 75 . 1 . 1 10 10 THR CB C 13 70.515 0.400 . 1 . . . . A 93 THR CB . 34813 1 76 . 1 . 1 10 10 THR CG2 C 13 23.286 0.400 . 1 . . . . A 93 THR CG2 . 34813 1 77 . 1 . 1 10 10 THR N N 15 113.634 0.400 . 1 . . . . A 93 THR N . 34813 1 78 . 1 . 1 11 11 PHE H H 1 8.951 0.020 . 1 . . . . A 94 PHE H . 34813 1 79 . 1 . 1 11 11 PHE HA H 1 4.885 0.020 . 1 . . . . A 94 PHE HA . 34813 1 80 . 1 . 1 11 11 PHE HB2 H 1 3.801 0.020 . 2 . . . . A 94 PHE HB2 . 34813 1 81 . 1 . 1 11 11 PHE HB3 H 1 3.801 0.020 . 2 . . . . A 94 PHE HB3 . 34813 1 82 . 1 . 1 11 11 PHE HE1 H 1 6.786 0.020 . 3 . . . . A 94 PHE HE1 . 34813 1 83 . 1 . 1 11 11 PHE HE2 H 1 6.786 0.020 . 3 . . . . A 94 PHE HE2 . 34813 1 84 . 1 . 1 11 11 PHE HZ H 1 6.834 0.020 . 1 . . . . A 94 PHE HZ . 34813 1 85 . 1 . 1 11 11 PHE CA C 13 56.228 0.400 . 1 . . . . A 94 PHE CA . 34813 1 86 . 1 . 1 11 11 PHE CB C 13 44.050 0.400 . 1 . . . . A 94 PHE CB . 34813 1 87 . 1 . 1 11 11 PHE N N 15 117.859 0.400 . 1 . . . . A 94 PHE N . 34813 1 88 . 1 . 1 12 12 SER H H 1 6.579 0.020 . 1 . . . . A 95 SER H . 34813 1 89 . 1 . 1 12 12 SER HA H 1 5.242 0.020 . 1 . . . . A 95 SER HA . 34813 1 90 . 1 . 1 12 12 SER HB2 H 1 3.973 0.020 . 2 . . . . A 95 SER HB2 . 34813 1 91 . 1 . 1 12 12 SER HB3 H 1 3.973 0.020 . 2 . . . . A 95 SER HB3 . 34813 1 92 . 1 . 1 12 12 SER CA C 13 57.433 0.400 . 1 . . . . A 95 SER CA . 34813 1 93 . 1 . 1 12 12 SER CB C 13 65.069 0.400 . 1 . . . . A 95 SER CB . 34813 1 94 . 1 . 1 12 12 SER N N 15 115.493 0.400 . 1 . . . . A 95 SER N . 34813 1 95 . 1 . 1 13 13 ILE H H 1 7.684 0.020 . 1 . . . . A 96 ILE H . 34813 1 96 . 1 . 1 13 13 ILE HA H 1 4.242 0.020 . 1 . . . . A 96 ILE HA . 34813 1 97 . 1 . 1 13 13 ILE HB H 1 1.602 0.020 . 1 . . . . A 96 ILE HB . 34813 1 98 . 1 . 1 13 13 ILE HG12 H 1 1.427 0.020 . 2 . . . . A 96 ILE HG12 . 34813 1 99 . 1 . 1 13 13 ILE HG13 H 1 0.967 0.020 . 2 . . . . A 96 ILE HG13 . 34813 1 100 . 1 . 1 13 13 ILE HG21 H 1 0.821 0.020 . 1 . . . . A 96 ILE HG21 . 34813 1 101 . 1 . 1 13 13 ILE HG22 H 1 0.821 0.020 . 1 . . . . A 96 ILE HG22 . 34813 1 102 . 1 . 1 13 13 ILE HG23 H 1 0.821 0.020 . 1 . . . . A 96 ILE HG23 . 34813 1 103 . 1 . 1 13 13 ILE HD11 H 1 0.550 0.020 . 1 . . . . A 96 ILE HD11 . 34813 1 104 . 1 . 1 13 13 ILE HD12 H 1 0.550 0.020 . 1 . . . . A 96 ILE HD12 . 34813 1 105 . 1 . 1 13 13 ILE HD13 H 1 0.550 0.020 . 1 . . . . A 96 ILE HD13 . 34813 1 106 . 1 . 1 13 13 ILE CA C 13 60.816 0.400 . 1 . . . . A 96 ILE CA . 34813 1 107 . 1 . 1 13 13 ILE CB C 13 42.021 0.400 . 1 . . . . A 96 ILE CB . 34813 1 108 . 1 . 1 13 13 ILE CG1 C 13 26.924 0.400 . 1 . . . . A 96 ILE CG1 . 34813 1 109 . 1 . 1 13 13 ILE CG2 C 13 17.094 0.400 . 1 . . . . A 96 ILE CG2 . 34813 1 110 . 1 . 1 13 13 ILE CD1 C 13 13.688 0.400 . 1 . . . . A 96 ILE CD1 . 34813 1 111 . 1 . 1 13 13 ILE N N 15 119.384 0.400 . 1 . . . . A 96 ILE N . 34813 1 112 . 1 . 1 14 14 GLY H H 1 8.445 0.020 . 1 . . . . A 97 GLY H . 34813 1 113 . 1 . 1 14 14 GLY HA2 H 1 3.822 0.020 . 2 . . . . A 97 GLY HA2 . 34813 1 114 . 1 . 1 14 14 GLY HA3 H 1 3.826 0.020 . 2 . . . . A 97 GLY HA3 . 34813 1 115 . 1 . 1 14 14 GLY CA C 13 45.397 0.400 . 1 . . . . A 97 GLY CA . 34813 1 116 . 1 . 1 14 14 GLY N N 15 113.472 0.400 . 1 . . . . A 97 GLY N . 34813 1 117 . 1 . 1 16 16 THR HA H 1 4.000 0.020 . 1 . . . . A 99 THR HA . 34813 1 118 . 1 . 1 16 16 THR HB H 1 4.543 0.020 . 1 . . . . A 99 THR HB . 34813 1 119 . 1 . 1 16 16 THR HG21 H 1 1.205 0.020 . 1 . . . . A 99 THR HG21 . 34813 1 120 . 1 . 1 16 16 THR HG22 H 1 1.205 0.020 . 1 . . . . A 99 THR HG22 . 34813 1 121 . 1 . 1 16 16 THR HG23 H 1 1.205 0.020 . 1 . . . . A 99 THR HG23 . 34813 1 122 . 1 . 1 16 16 THR CG2 C 13 20.582 0.400 . 1 . . . . A 99 THR CG2 . 34813 1 123 . 1 . 1 17 17 GLY H H 1 7.919 0.020 . 1 . . . . A 100 GLY H . 34813 1 124 . 1 . 1 17 17 GLY HA2 H 1 4.471 0.020 . 2 . . . . A 100 GLY HA2 . 34813 1 125 . 1 . 1 17 17 GLY HA3 H 1 4.468 0.020 . 2 . . . . A 100 GLY HA3 . 34813 1 126 . 1 . 1 17 17 GLY CA C 13 46.620 0.400 . 1 . . . . A 100 GLY CA . 34813 1 127 . 1 . 1 17 17 GLY N N 15 113.967 0.400 . 1 . . . . A 100 GLY N . 34813 1 128 . 1 . 1 18 18 LEU H H 1 8.329 0.020 . 1 . . . . A 101 LEU H . 34813 1 129 . 1 . 1 18 18 LEU HA H 1 5.281 0.020 . 1 . . . . A 101 LEU HA . 34813 1 130 . 1 . 1 18 18 LEU HD11 H 1 1.125 0.020 . 2 . . . . A 101 LEU HD11 . 34813 1 131 . 1 . 1 18 18 LEU HD12 H 1 1.125 0.020 . 2 . . . . A 101 LEU HD12 . 34813 1 132 . 1 . 1 18 18 LEU HD13 H 1 1.125 0.020 . 2 . . . . A 101 LEU HD13 . 34813 1 133 . 1 . 1 18 18 LEU HD21 H 1 1.248 0.020 . 2 . . . . A 101 LEU HD21 . 34813 1 134 . 1 . 1 18 18 LEU HD22 H 1 1.248 0.020 . 2 . . . . A 101 LEU HD22 . 34813 1 135 . 1 . 1 18 18 LEU HD23 H 1 1.248 0.020 . 2 . . . . A 101 LEU HD23 . 34813 1 136 . 1 . 1 18 18 LEU CA C 13 54.302 0.400 . 1 . . . . A 101 LEU CA . 34813 1 137 . 1 . 1 18 18 LEU CB C 13 48.648 0.400 . 1 . . . . A 101 LEU CB . 34813 1 138 . 1 . 1 18 18 LEU CD1 C 13 26.909 0.400 . 1 . . . . A 101 LEU CD1 . 34813 1 139 . 1 . 1 18 18 LEU CD2 C 13 24.369 0.400 . 1 . . . . A 101 LEU CD2 . 34813 1 140 . 1 . 1 18 18 LEU N N 15 124.636 0.400 . 1 . . . . A 101 LEU N . 34813 1 141 . 1 . 1 19 19 VAL H H 1 8.901 0.020 . 1 . . . . A 102 VAL H . 34813 1 142 . 1 . 1 19 19 VAL HA H 1 5.735 0.020 . 1 . . . . A 102 VAL HA . 34813 1 143 . 1 . 1 19 19 VAL HB H 1 2.002 0.020 . 1 . . . . A 102 VAL HB . 34813 1 144 . 1 . 1 19 19 VAL HG11 H 1 0.966 0.020 . 2 . . . . A 102 VAL HG11 . 34813 1 145 . 1 . 1 19 19 VAL HG12 H 1 0.966 0.020 . 2 . . . . A 102 VAL HG12 . 34813 1 146 . 1 . 1 19 19 VAL HG13 H 1 0.966 0.020 . 2 . . . . A 102 VAL HG13 . 34813 1 147 . 1 . 1 19 19 VAL HG21 H 1 1.132 0.020 . 2 . . . . A 102 VAL HG21 . 34813 1 148 . 1 . 1 19 19 VAL HG22 H 1 1.132 0.020 . 2 . . . . A 102 VAL HG22 . 34813 1 149 . 1 . 1 19 19 VAL HG23 H 1 1.132 0.020 . 2 . . . . A 102 VAL HG23 . 34813 1 150 . 1 . 1 19 19 VAL CA C 13 58.220 0.400 . 1 . . . . A 102 VAL CA . 34813 1 151 . 1 . 1 19 19 VAL CB C 13 36.397 0.400 . 1 . . . . A 102 VAL CB . 34813 1 152 . 1 . 1 19 19 VAL CG1 C 13 22.755 0.400 . 1 . . . . A 102 VAL CG1 . 34813 1 153 . 1 . 1 19 19 VAL CG2 C 13 22.106 0.400 . 1 . . . . A 102 VAL CG2 . 34813 1 154 . 1 . 1 19 19 VAL N N 15 118.008 0.400 . 1 . . . . A 102 VAL N . 34813 1 155 . 1 . 1 20 20 VAL H H 1 8.992 0.020 . 1 . . . . A 103 VAL H . 34813 1 156 . 1 . 1 20 20 VAL HB H 1 1.872 0.020 . 1 . . . . A 103 VAL HB . 34813 1 157 . 1 . 1 20 20 VAL HG11 H 1 1.131 0.020 . 2 . . . . A 103 VAL HG11 . 34813 1 158 . 1 . 1 20 20 VAL HG12 H 1 1.131 0.020 . 2 . . . . A 103 VAL HG12 . 34813 1 159 . 1 . 1 20 20 VAL HG13 H 1 1.131 0.020 . 2 . . . . A 103 VAL HG13 . 34813 1 160 . 1 . 1 20 20 VAL HG21 H 1 0.776 0.020 . 2 . . . . A 103 VAL HG21 . 34813 1 161 . 1 . 1 20 20 VAL HG22 H 1 0.776 0.020 . 2 . . . . A 103 VAL HG22 . 34813 1 162 . 1 . 1 20 20 VAL HG23 H 1 0.776 0.020 . 2 . . . . A 103 VAL HG23 . 34813 1 163 . 1 . 1 20 20 VAL CA C 13 61.097 0.400 . 1 . . . . A 103 VAL CA . 34813 1 164 . 1 . 1 20 20 VAL CB C 13 35.103 0.400 . 1 . . . . A 103 VAL CB . 34813 1 165 . 1 . 1 20 20 VAL CG1 C 13 22.772 0.400 . 1 . . . . A 103 VAL CG1 . 34813 1 166 . 1 . 1 20 20 VAL CG2 C 13 21.491 0.400 . 1 . . . . A 103 VAL CG2 . 34813 1 167 . 1 . 1 20 20 VAL N N 15 124.955 0.400 . 1 . . . . A 103 VAL N . 34813 1 168 . 1 . 1 21 21 TYR H H 1 9.182 0.020 . 1 . . . . A 104 TYR H . 34813 1 169 . 1 . 1 21 21 TYR HA H 1 5.396 0.020 . 1 . . . . A 104 TYR HA . 34813 1 170 . 1 . 1 21 21 TYR HD1 H 1 6.990 0.020 . 3 . . . . A 104 TYR HD1 . 34813 1 171 . 1 . 1 21 21 TYR HD2 H 1 6.990 0.020 . 3 . . . . A 104 TYR HD2 . 34813 1 172 . 1 . 1 21 21 TYR HE1 H 1 6.524 0.020 . 3 . . . . A 104 TYR HE1 . 34813 1 173 . 1 . 1 21 21 TYR HE2 H 1 6.524 0.020 . 3 . . . . A 104 TYR HE2 . 34813 1 174 . 1 . 1 21 21 TYR CA C 13 52.462 0.400 . 1 . . . . A 104 TYR CA . 34813 1 175 . 1 . 1 21 21 TYR CB C 13 39.365 0.400 . 1 . . . . A 104 TYR CB . 34813 1 176 . 1 . 1 21 21 TYR N N 15 127.461 0.400 . 1 . . . . A 104 TYR N . 34813 1 177 . 1 . 1 22 22 ASP H H 1 8.812 0.020 . 1 . . . . A 105 ASP H . 34813 1 178 . 1 . 1 22 22 ASP CA C 13 57.603 0.400 . 1 . . . . A 105 ASP CA . 34813 1 179 . 1 . 1 22 22 ASP CB C 13 41.368 0.400 . 1 . . . . A 105 ASP CB . 34813 1 180 . 1 . 1 22 22 ASP N N 15 123.292 0.400 . 1 . . . . A 105 ASP N . 34813 1 181 . 1 . 1 23 23 TYR H H 1 7.834 0.020 . 1 . . . . A 106 TYR H . 34813 1 182 . 1 . 1 23 23 TYR HD1 H 1 6.903 0.020 . 3 . . . . A 106 TYR HD1 . 34813 1 183 . 1 . 1 23 23 TYR HD2 H 1 6.903 0.020 . 3 . . . . A 106 TYR HD2 . 34813 1 184 . 1 . 1 23 23 TYR HE1 H 1 6.491 0.020 . 3 . . . . A 106 TYR HE1 . 34813 1 185 . 1 . 1 23 23 TYR HE2 H 1 6.491 0.020 . 3 . . . . A 106 TYR HE2 . 34813 1 186 . 1 . 1 23 23 TYR CB C 13 38.059 0.400 . 1 . . . . A 106 TYR CB . 34813 1 187 . 1 . 1 23 23 TYR N N 15 122.443 0.400 . 1 . . . . A 106 TYR N . 34813 1 188 . 1 . 1 24 24 GLN H H 1 8.355 0.020 . 1 . . . . A 107 GLN H . 34813 1 189 . 1 . 1 24 24 GLN CA C 13 58.276 0.400 . 1 . . . . A 107 GLN CA . 34813 1 190 . 1 . 1 24 24 GLN CB C 13 29.046 0.400 . 1 . . . . A 107 GLN CB . 34813 1 191 . 1 . 1 24 24 GLN N N 15 118.458 0.400 . 1 . . . . A 107 GLN N . 34813 1 192 . 1 . 1 25 25 GLN H H 1 8.295 0.020 . 1 . . . . A 108 GLN H . 34813 1 193 . 1 . 1 25 25 GLN HA H 1 4.075 0.020 . 1 . . . . A 108 GLN HA . 34813 1 194 . 1 . 1 25 25 GLN HB2 H 1 2.154 0.020 . 2 . . . . A 108 GLN HB2 . 34813 1 195 . 1 . 1 25 25 GLN HB3 H 1 2.154 0.020 . 2 . . . . A 108 GLN HB3 . 34813 1 196 . 1 . 1 25 25 GLN HG2 H 1 2.277 0.020 . 2 . . . . A 108 GLN HG2 . 34813 1 197 . 1 . 1 25 25 GLN HG3 H 1 2.447 0.020 . 2 . . . . A 108 GLN HG3 . 34813 1 198 . 1 . 1 25 25 GLN HE21 H 1 7.503 0.020 . 2 . . . . A 108 GLN HE21 . 34813 1 199 . 1 . 1 25 25 GLN HE22 H 1 6.684 0.020 . 2 . . . . A 108 GLN HE22 . 34813 1 200 . 1 . 1 25 25 GLN CB C 13 29.149 0.400 . 1 . . . . A 108 GLN CB . 34813 1 201 . 1 . 1 25 25 GLN CG C 13 34.482 0.400 . 1 . . . . A 108 GLN CG . 34813 1 202 . 1 . 1 25 25 GLN N N 15 117.045 0.400 . 1 . . . . A 108 GLN N . 34813 1 203 . 1 . 1 26 26 LEU H H 1 7.636 0.020 . 1 . . . . A 109 LEU H . 34813 1 204 . 1 . 1 26 26 LEU HA H 1 3.618 0.020 . 1 . . . . A 109 LEU HA . 34813 1 205 . 1 . 1 26 26 LEU HB2 H 1 1.828 0.020 . 2 . . . . A 109 LEU HB2 . 34813 1 206 . 1 . 1 26 26 LEU HB3 H 1 2.050 0.020 . 2 . . . . A 109 LEU HB3 . 34813 1 207 . 1 . 1 26 26 LEU HG H 1 1.546 0.020 . 1 . . . . A 109 LEU HG . 34813 1 208 . 1 . 1 26 26 LEU HD11 H 1 0.966 0.020 . 2 . . . . A 109 LEU HD11 . 34813 1 209 . 1 . 1 26 26 LEU HD12 H 1 0.966 0.020 . 2 . . . . A 109 LEU HD12 . 34813 1 210 . 1 . 1 26 26 LEU HD13 H 1 0.966 0.020 . 2 . . . . A 109 LEU HD13 . 34813 1 211 . 1 . 1 26 26 LEU HD21 H 1 0.783 0.020 . 2 . . . . A 109 LEU HD21 . 34813 1 212 . 1 . 1 26 26 LEU HD22 H 1 0.783 0.020 . 2 . . . . A 109 LEU HD22 . 34813 1 213 . 1 . 1 26 26 LEU HD23 H 1 0.783 0.020 . 2 . . . . A 109 LEU HD23 . 34813 1 214 . 1 . 1 26 26 LEU CA C 13 55.467 0.400 . 1 . . . . A 109 LEU CA . 34813 1 215 . 1 . 1 26 26 LEU CB C 13 36.573 0.400 . 1 . . . . A 109 LEU CB . 34813 1 216 . 1 . 1 26 26 LEU CG C 13 26.374 0.400 . 1 . . . . A 109 LEU CG . 34813 1 217 . 1 . 1 26 26 LEU CD1 C 13 26.383 0.400 . 1 . . . . A 109 LEU CD1 . 34813 1 218 . 1 . 1 26 26 LEU CD2 C 13 22.687 0.400 . 1 . . . . A 109 LEU CD2 . 34813 1 219 . 1 . 1 26 26 LEU N N 15 117.285 0.400 . 1 . . . . A 109 LEU N . 34813 1 220 . 1 . 1 27 27 LEU H H 1 8.060 0.020 . 1 . . . . A 110 LEU H . 34813 1 221 . 1 . 1 27 27 LEU HA H 1 5.102 0.020 . 1 . . . . A 110 LEU HA . 34813 1 222 . 1 . 1 27 27 LEU HB2 H 1 1.497 0.020 . 2 . . . . A 110 LEU HB2 . 34813 1 223 . 1 . 1 27 27 LEU HB3 H 1 1.497 0.020 . 2 . . . . A 110 LEU HB3 . 34813 1 224 . 1 . 1 27 27 LEU HG H 1 1.523 0.020 . 1 . . . . A 110 LEU HG . 34813 1 225 . 1 . 1 27 27 LEU HD11 H 1 0.804 0.020 . 2 . . . . A 110 LEU HD11 . 34813 1 226 . 1 . 1 27 27 LEU HD12 H 1 0.804 0.020 . 2 . . . . A 110 LEU HD12 . 34813 1 227 . 1 . 1 27 27 LEU HD13 H 1 0.804 0.020 . 2 . . . . A 110 LEU HD13 . 34813 1 228 . 1 . 1 27 27 LEU HD21 H 1 0.822 0.020 . 2 . . . . A 110 LEU HD21 . 34813 1 229 . 1 . 1 27 27 LEU HD22 H 1 0.822 0.020 . 2 . . . . A 110 LEU HD22 . 34813 1 230 . 1 . 1 27 27 LEU HD23 H 1 0.822 0.020 . 2 . . . . A 110 LEU HD23 . 34813 1 231 . 1 . 1 27 27 LEU CA C 13 53.944 0.400 . 1 . . . . A 110 LEU CA . 34813 1 232 . 1 . 1 27 27 LEU CB C 13 46.533 0.400 . 1 . . . . A 110 LEU CB . 34813 1 233 . 1 . 1 27 27 LEU CG C 13 26.001 0.400 . 1 . . . . A 110 LEU CG . 34813 1 234 . 1 . 1 27 27 LEU CD1 C 13 25.435 0.400 . 1 . . . . A 110 LEU CD1 . 34813 1 235 . 1 . 1 27 27 LEU CD2 C 13 25.954 0.400 . 1 . . . . A 110 LEU CD2 . 34813 1 236 . 1 . 1 27 27 LEU N N 15 119.281 0.400 . 1 . . . . A 110 LEU N . 34813 1 237 . 1 . 1 28 28 ILE H H 1 8.774 0.020 . 1 . . . . A 111 ILE H . 34813 1 238 . 1 . 1 28 28 ILE HA H 1 4.644 0.020 . 1 . . . . A 111 ILE HA . 34813 1 239 . 1 . 1 28 28 ILE HB H 1 1.147 0.020 . 1 . . . . A 111 ILE HB . 34813 1 240 . 1 . 1 28 28 ILE HG12 H 1 -0.124 0.020 . 2 . . . . A 111 ILE HG12 . 34813 1 241 . 1 . 1 28 28 ILE HG13 H 1 1.136 0.020 . 2 . . . . A 111 ILE HG13 . 34813 1 242 . 1 . 1 28 28 ILE HG21 H 1 0.312 0.020 . 1 . . . . A 111 ILE HG21 . 34813 1 243 . 1 . 1 28 28 ILE HG22 H 1 0.312 0.020 . 1 . . . . A 111 ILE HG22 . 34813 1 244 . 1 . 1 28 28 ILE HG23 H 1 0.312 0.020 . 1 . . . . A 111 ILE HG23 . 34813 1 245 . 1 . 1 28 28 ILE HD11 H 1 0.344 0.020 . 1 . . . . A 111 ILE HD11 . 34813 1 246 . 1 . 1 28 28 ILE HD12 H 1 0.344 0.020 . 1 . . . . A 111 ILE HD12 . 34813 1 247 . 1 . 1 28 28 ILE HD13 H 1 0.344 0.020 . 1 . . . . A 111 ILE HD13 . 34813 1 248 . 1 . 1 28 28 ILE CA C 13 59.587 0.400 . 1 . . . . A 111 ILE CA . 34813 1 249 . 1 . 1 28 28 ILE CB C 13 41.605 0.400 . 1 . . . . A 111 ILE CB . 34813 1 250 . 1 . 1 28 28 ILE CG1 C 13 27.161 0.400 . 1 . . . . A 111 ILE CG1 . 34813 1 251 . 1 . 1 28 28 ILE CG2 C 13 17.914 0.400 . 1 . . . . A 111 ILE CG2 . 34813 1 252 . 1 . 1 28 28 ILE CD1 C 13 15.980 0.400 . 1 . . . . A 111 ILE CD1 . 34813 1 253 . 1 . 1 28 28 ILE N N 15 120.566 0.400 . 1 . . . . A 111 ILE N . 34813 1 254 . 1 . 1 29 29 ALA H H 1 8.761 0.020 . 1 . . . . A 112 ALA H . 34813 1 255 . 1 . 1 29 29 ALA HA H 1 5.545 0.020 . 1 . . . . A 112 ALA HA . 34813 1 256 . 1 . 1 29 29 ALA HB1 H 1 1.201 0.020 . 1 . . . . A 112 ALA HB1 . 34813 1 257 . 1 . 1 29 29 ALA HB2 H 1 1.201 0.020 . 1 . . . . A 112 ALA HB2 . 34813 1 258 . 1 . 1 29 29 ALA HB3 H 1 1.201 0.020 . 1 . . . . A 112 ALA HB3 . 34813 1 259 . 1 . 1 29 29 ALA CA C 13 49.537 0.400 . 1 . . . . A 112 ALA CA . 34813 1 260 . 1 . 1 29 29 ALA CB C 13 23.903 0.400 . 1 . . . . A 112 ALA CB . 34813 1 261 . 1 . 1 29 29 ALA N N 15 127.933 0.400 . 1 . . . . A 112 ALA N . 34813 1 262 . 1 . 1 30 30 TYR H H 1 9.282 0.020 . 1 . . . . A 113 TYR H . 34813 1 263 . 1 . 1 30 30 TYR HA H 1 5.443 0.020 . 1 . . . . A 113 TYR HA . 34813 1 264 . 1 . 1 30 30 TYR HD1 H 1 6.921 0.020 . 3 . . . . A 113 TYR HD1 . 34813 1 265 . 1 . 1 30 30 TYR HD2 H 1 6.921 0.020 . 3 . . . . A 113 TYR HD2 . 34813 1 266 . 1 . 1 30 30 TYR HE1 H 1 6.578 0.020 . 3 . . . . A 113 TYR HE1 . 34813 1 267 . 1 . 1 30 30 TYR HE2 H 1 6.578 0.020 . 3 . . . . A 113 TYR HE2 . 34813 1 268 . 1 . 1 30 30 TYR CA C 13 55.273 0.400 . 1 . . . . A 113 TYR CA . 34813 1 269 . 1 . 1 30 30 TYR CB C 13 41.914 0.400 . 1 . . . . A 113 TYR CB . 34813 1 270 . 1 . 1 30 30 TYR N N 15 122.702 0.400 . 1 . . . . A 113 TYR N . 34813 1 271 . 1 . 1 31 31 LYS H H 1 8.730 0.020 . 1 . . . . A 114 LYS H . 34813 1 272 . 1 . 1 31 31 LYS CA C 13 51.473 0.400 . 1 . . . . A 114 LYS CA . 34813 1 273 . 1 . 1 31 31 LYS CB C 13 37.008 0.400 . 1 . . . . A 114 LYS CB . 34813 1 274 . 1 . 1 31 31 LYS N N 15 132.599 0.400 . 1 . . . . A 114 LYS N . 34813 1 275 . 1 . 1 32 32 PRO HA H 1 4.356 0.020 . 1 . . . . A 115 PRO HA . 34813 1 276 . 1 . 1 33 33 ALA H H 1 6.729 0.020 . 1 . . . . A 116 ALA H . 34813 1 277 . 1 . 1 33 33 ALA HA H 1 4.491 0.020 . 1 . . . . A 116 ALA HA . 34813 1 278 . 1 . 1 33 33 ALA HB1 H 1 1.399 0.020 . 1 . . . . A 116 ALA HB1 . 34813 1 279 . 1 . 1 33 33 ALA HB2 H 1 1.399 0.020 . 1 . . . . A 116 ALA HB2 . 34813 1 280 . 1 . 1 33 33 ALA HB3 H 1 1.399 0.020 . 1 . . . . A 116 ALA HB3 . 34813 1 281 . 1 . 1 33 33 ALA CA C 13 51.231 0.400 . 1 . . . . A 116 ALA CA . 34813 1 282 . 1 . 1 33 33 ALA CB C 13 18.788 0.400 . 1 . . . . A 116 ALA CB . 34813 1 283 . 1 . 1 33 33 ALA N N 15 114.789 0.400 . 1 . . . . A 116 ALA N . 34813 1 284 . 1 . 1 34 34 PRO HA H 1 3.550 0.020 . 1 . . . . A 117 PRO HA . 34813 1 285 . 1 . 1 34 34 PRO CA C 13 64.407 0.400 . 1 . . . . A 117 PRO CA . 34813 1 286 . 1 . 1 34 34 PRO CB C 13 31.501 0.400 . 1 . . . . A 117 PRO CB . 34813 1 287 . 1 . 1 35 35 GLY H H 1 10.454 0.020 . 1 . . . . A 118 GLY H . 34813 1 288 . 1 . 1 35 35 GLY HA2 H 1 4.317 0.020 . 2 . . . . A 118 GLY HA2 . 34813 1 289 . 1 . 1 35 35 GLY HA3 H 1 4.401 0.020 . 2 . . . . A 118 GLY HA3 . 34813 1 290 . 1 . 1 35 35 GLY CA C 13 46.490 0.400 . 1 . . . . A 118 GLY CA . 34813 1 291 . 1 . 1 35 35 GLY N N 15 113.105 0.400 . 1 . . . . A 118 GLY N . 34813 1 292 . 1 . 1 36 36 THR H H 1 6.662 0.020 . 1 . . . . A 119 THR H . 34813 1 293 . 1 . 1 36 36 THR HB H 1 5.489 0.020 . 1 . . . . A 119 THR HB . 34813 1 294 . 1 . 1 36 36 THR HG21 H 1 1.100 0.020 . 1 . . . . A 119 THR HG21 . 34813 1 295 . 1 . 1 36 36 THR HG22 H 1 1.100 0.020 . 1 . . . . A 119 THR HG22 . 34813 1 296 . 1 . 1 36 36 THR HG23 H 1 1.100 0.020 . 1 . . . . A 119 THR HG23 . 34813 1 297 . 1 . 1 36 36 THR CG2 C 13 22.015 0.400 . 1 . . . . A 119 THR CG2 . 34813 1 298 . 1 . 1 36 36 THR N N 15 107.441 0.400 . 1 . . . . A 119 THR N . 34813 1 299 . 1 . 1 37 37 CYS H H 1 9.244 0.020 . 1 . . . . A 120 CYS H . 34813 1 300 . 1 . 1 37 37 CYS N N 15 118.338 0.400 . 1 . . . . A 120 CYS N . 34813 1 301 . 1 . 1 38 38 CYS H H 1 8.359 0.020 . 1 . . . . A 121 CYS H . 34813 1 302 . 1 . 1 38 38 CYS HA H 1 5.210 0.020 . 1 . . . . A 121 CYS HA . 34813 1 303 . 1 . 1 38 38 CYS HB2 H 1 2.586 0.020 . 2 . . . . A 121 CYS HB2 . 34813 1 304 . 1 . 1 38 38 CYS HB3 H 1 2.665 0.020 . 2 . . . . A 121 CYS HB3 . 34813 1 305 . 1 . 1 38 38 CYS CA C 13 53.659 0.400 . 1 . . . . A 121 CYS CA . 34813 1 306 . 1 . 1 38 38 CYS CB C 13 47.714 0.400 . 1 . . . . A 121 CYS CB . 34813 1 307 . 1 . 1 38 38 CYS N N 15 113.174 0.400 . 1 . . . . A 121 CYS N . 34813 1 308 . 1 . 1 39 39 TYR H H 1 9.303 0.020 . 1 . . . . A 122 TYR H . 34813 1 309 . 1 . 1 39 39 TYR HA H 1 5.151 0.020 . 1 . . . . A 122 TYR HA . 34813 1 310 . 1 . 1 39 39 TYR HD1 H 1 6.943 0.020 . 3 . . . . A 122 TYR HD1 . 34813 1 311 . 1 . 1 39 39 TYR HD2 H 1 6.943 0.020 . 3 . . . . A 122 TYR HD2 . 34813 1 312 . 1 . 1 39 39 TYR HE1 H 1 6.582 0.020 . 3 . . . . A 122 TYR HE1 . 34813 1 313 . 1 . 1 39 39 TYR HE2 H 1 6.582 0.020 . 3 . . . . A 122 TYR HE2 . 34813 1 314 . 1 . 1 39 39 TYR CA C 13 57.493 0.400 . 1 . . . . A 122 TYR CA . 34813 1 315 . 1 . 1 39 39 TYR CB C 13 40.678 0.400 . 1 . . . . A 122 TYR CB . 34813 1 316 . 1 . 1 39 39 TYR N N 15 120.740 0.400 . 1 . . . . A 122 TYR N . 34813 1 317 . 1 . 1 40 40 ILE H H 1 9.003 0.020 . 1 . . . . A 123 ILE H . 34813 1 318 . 1 . 1 40 40 ILE HA H 1 4.962 0.020 . 1 . . . . A 123 ILE HA . 34813 1 319 . 1 . 1 40 40 ILE HB H 1 1.479 0.020 . 1 . . . . A 123 ILE HB . 34813 1 320 . 1 . 1 40 40 ILE HG12 H 1 1.011 0.020 . 2 . . . . A 123 ILE HG12 . 34813 1 321 . 1 . 1 40 40 ILE HG13 H 1 1.011 0.020 . 2 . . . . A 123 ILE HG13 . 34813 1 322 . 1 . 1 40 40 ILE HG21 H 1 0.777 0.020 . 1 . . . . A 123 ILE HG21 . 34813 1 323 . 1 . 1 40 40 ILE HG22 H 1 0.777 0.020 . 1 . . . . A 123 ILE HG22 . 34813 1 324 . 1 . 1 40 40 ILE HG23 H 1 0.777 0.020 . 1 . . . . A 123 ILE HG23 . 34813 1 325 . 1 . 1 40 40 ILE HD11 H 1 0.564 0.020 . 1 . . . . A 123 ILE HD11 . 34813 1 326 . 1 . 1 40 40 ILE HD12 H 1 0.564 0.020 . 1 . . . . A 123 ILE HD12 . 34813 1 327 . 1 . 1 40 40 ILE HD13 H 1 0.564 0.020 . 1 . . . . A 123 ILE HD13 . 34813 1 328 . 1 . 1 40 40 ILE CA C 13 58.158 0.400 . 1 . . . . A 123 ILE CA . 34813 1 329 . 1 . 1 40 40 ILE CB C 13 36.608 0.400 . 1 . . . . A 123 ILE CB . 34813 1 330 . 1 . 1 40 40 ILE CG2 C 13 18.264 0.400 . 1 . . . . A 123 ILE CG2 . 34813 1 331 . 1 . 1 40 40 ILE CD1 C 13 10.982 0.400 . 1 . . . . A 123 ILE CD1 . 34813 1 332 . 1 . 1 40 40 ILE N N 15 123.967 0.400 . 1 . . . . A 123 ILE N . 34813 1 333 . 1 . 1 41 41 MET H H 1 9.181 0.020 . 1 . . . . A 124 MET H . 34813 1 334 . 1 . 1 41 41 MET HA H 1 4.797 0.020 . 1 . . . . A 124 MET HA . 34813 1 335 . 1 . 1 41 41 MET HB2 H 1 1.758 0.020 . 2 . . . . A 124 MET HB2 . 34813 1 336 . 1 . 1 41 41 MET HB3 H 1 1.944 0.020 . 2 . . . . A 124 MET HB3 . 34813 1 337 . 1 . 1 41 41 MET HG2 H 1 2.139 0.020 . 2 . . . . A 124 MET HG2 . 34813 1 338 . 1 . 1 41 41 MET HG3 H 1 2.561 0.020 . 2 . . . . A 124 MET HG3 . 34813 1 339 . 1 . 1 41 41 MET HE1 H 1 1.766 0.020 . 1 . . . . A 124 MET HE1 . 34813 1 340 . 1 . 1 41 41 MET HE2 H 1 1.766 0.020 . 1 . . . . A 124 MET HE2 . 34813 1 341 . 1 . 1 41 41 MET HE3 H 1 1.766 0.020 . 1 . . . . A 124 MET HE3 . 34813 1 342 . 1 . 1 41 41 MET CA C 13 53.906 0.400 . 1 . . . . A 124 MET CA . 34813 1 343 . 1 . 1 41 41 MET CB C 13 37.445 0.400 . 1 . . . . A 124 MET CB . 34813 1 344 . 1 . 1 41 41 MET CG C 13 32.360 0.400 . 1 . . . . A 124 MET CG . 34813 1 345 . 1 . 1 41 41 MET CE C 13 17.280 0.400 . 1 . . . . A 124 MET CE . 34813 1 346 . 1 . 1 41 41 MET N N 15 127.239 0.400 . 1 . . . . A 124 MET N . 34813 1 347 . 1 . 1 42 42 LYS H H 1 8.822 0.020 . 1 . . . . A 125 LYS H . 34813 1 348 . 1 . 1 42 42 LYS HA H 1 4.657 0.020 . 1 . . . . A 125 LYS HA . 34813 1 349 . 1 . 1 42 42 LYS HB2 H 1 1.748 0.020 . 2 . . . . A 125 LYS HB2 . 34813 1 350 . 1 . 1 42 42 LYS HB3 H 1 1.906 0.020 . 2 . . . . A 125 LYS HB3 . 34813 1 351 . 1 . 1 42 42 LYS HG2 H 1 1.572 0.020 . 2 . . . . A 125 LYS HG2 . 34813 1 352 . 1 . 1 42 42 LYS HG3 H 1 1.614 0.020 . 2 . . . . A 125 LYS HG3 . 34813 1 353 . 1 . 1 42 42 LYS HD2 H 1 1.762 0.020 . 2 . . . . A 125 LYS HD2 . 34813 1 354 . 1 . 1 42 42 LYS HD3 H 1 1.811 0.020 . 2 . . . . A 125 LYS HD3 . 34813 1 355 . 1 . 1 42 42 LYS HE2 H 1 3.036 0.020 . 2 . . . . A 125 LYS HE2 . 34813 1 356 . 1 . 1 42 42 LYS HE3 H 1 3.036 0.020 . 2 . . . . A 125 LYS HE3 . 34813 1 357 . 1 . 1 42 42 LYS CA C 13 56.090 0.400 . 1 . . . . A 125 LYS CA . 34813 1 358 . 1 . 1 42 42 LYS CB C 13 32.774 0.400 . 1 . . . . A 125 LYS CB . 34813 1 359 . 1 . 1 42 42 LYS CG C 13 24.500 0.400 . 1 . . . . A 125 LYS CG . 34813 1 360 . 1 . 1 42 42 LYS CD C 13 28.522 0.400 . 1 . . . . A 125 LYS CD . 34813 1 361 . 1 . 1 42 42 LYS CE C 13 41.895 0.400 . 1 . . . . A 125 LYS CE . 34813 1 362 . 1 . 1 42 42 LYS N N 15 123.912 0.400 . 1 . . . . A 125 LYS N . 34813 1 363 . 1 . 1 43 43 ILE H H 1 7.583 0.020 . 1 . . . . A 126 ILE H . 34813 1 364 . 1 . 1 43 43 ILE HA H 1 4.460 0.020 . 1 . . . . A 126 ILE HA . 34813 1 365 . 1 . 1 43 43 ILE HB H 1 1.730 0.020 . 1 . . . . A 126 ILE HB . 34813 1 366 . 1 . 1 43 43 ILE HG12 H 1 1.117 0.020 . 2 . . . . A 126 ILE HG12 . 34813 1 367 . 1 . 1 43 43 ILE HG13 H 1 1.117 0.020 . 2 . . . . A 126 ILE HG13 . 34813 1 368 . 1 . 1 43 43 ILE HG21 H 1 0.782 0.020 . 1 . . . . A 126 ILE HG21 . 34813 1 369 . 1 . 1 43 43 ILE HG22 H 1 0.782 0.020 . 1 . . . . A 126 ILE HG22 . 34813 1 370 . 1 . 1 43 43 ILE HG23 H 1 0.782 0.020 . 1 . . . . A 126 ILE HG23 . 34813 1 371 . 1 . 1 43 43 ILE HD11 H 1 0.707 0.020 . 1 . . . . A 126 ILE HD11 . 34813 1 372 . 1 . 1 43 43 ILE HD12 H 1 0.707 0.020 . 1 . . . . A 126 ILE HD12 . 34813 1 373 . 1 . 1 43 43 ILE HD13 H 1 0.707 0.020 . 1 . . . . A 126 ILE HD13 . 34813 1 374 . 1 . 1 43 43 ILE CA C 13 59.647 0.400 . 1 . . . . A 126 ILE CA . 34813 1 375 . 1 . 1 43 43 ILE CB C 13 40.444 0.400 . 1 . . . . A 126 ILE CB . 34813 1 376 . 1 . 1 43 43 ILE CG1 C 13 26.206 0.400 . 1 . . . . A 126 ILE CG1 . 34813 1 377 . 1 . 1 43 43 ILE CG2 C 13 19.169 0.400 . 1 . . . . A 126 ILE CG2 . 34813 1 378 . 1 . 1 43 43 ILE CD1 C 13 13.646 0.400 . 1 . . . . A 126 ILE CD1 . 34813 1 379 . 1 . 1 43 43 ILE N N 15 118.841 0.400 . 1 . . . . A 126 ILE N . 34813 1 380 . 1 . 1 44 44 ALA H H 1 8.196 0.020 . 1 . . . . A 127 ALA H . 34813 1 381 . 1 . 1 44 44 ALA HA H 1 4.768 0.020 . 1 . . . . A 127 ALA HA . 34813 1 382 . 1 . 1 44 44 ALA HB1 H 1 1.377 0.020 . 1 . . . . A 127 ALA HB1 . 34813 1 383 . 1 . 1 44 44 ALA HB2 H 1 1.377 0.020 . 1 . . . . A 127 ALA HB2 . 34813 1 384 . 1 . 1 44 44 ALA HB3 H 1 1.377 0.020 . 1 . . . . A 127 ALA HB3 . 34813 1 385 . 1 . 1 44 44 ALA CA C 13 49.443 0.400 . 1 . . . . A 127 ALA CA . 34813 1 386 . 1 . 1 44 44 ALA CB C 13 18.971 0.400 . 1 . . . . A 127 ALA CB . 34813 1 387 . 1 . 1 44 44 ALA N N 15 126.599 0.400 . 1 . . . . A 127 ALA N . 34813 1 388 . 1 . 1 45 45 PRO HA H 1 4.041 0.020 . 1 . . . . A 128 PRO HA . 34813 1 389 . 1 . 1 45 45 PRO HB2 H 1 2.344 0.020 . 2 . . . . A 128 PRO HB2 . 34813 1 390 . 1 . 1 45 45 PRO HB3 H 1 1.968 0.020 . 2 . . . . A 128 PRO HB3 . 34813 1 391 . 1 . 1 45 45 PRO HD2 H 1 3.792 0.020 . 2 . . . . A 128 PRO HD2 . 34813 1 392 . 1 . 1 45 45 PRO HD3 H 1 3.792 0.020 . 2 . . . . A 128 PRO HD3 . 34813 1 393 . 1 . 1 45 45 PRO CA C 13 65.073 0.400 . 1 . . . . A 128 PRO CA . 34813 1 394 . 1 . 1 45 45 PRO CB C 13 31.700 0.400 . 1 . . . . A 128 PRO CB . 34813 1 395 . 1 . 1 46 46 GLU H H 1 8.776 0.020 . 1 . . . . A 129 GLU H . 34813 1 396 . 1 . 1 46 46 GLU HA H 1 4.256 0.020 . 1 . . . . A 129 GLU HA . 34813 1 397 . 1 . 1 46 46 GLU HB2 H 1 2.092 0.020 . 2 . . . . A 129 GLU HB2 . 34813 1 398 . 1 . 1 46 46 GLU HB3 H 1 1.999 0.020 . 2 . . . . A 129 GLU HB3 . 34813 1 399 . 1 . 1 46 46 GLU HG2 H 1 2.215 0.020 . 2 . . . . A 129 GLU HG2 . 34813 1 400 . 1 . 1 46 46 GLU HG3 H 1 2.215 0.020 . 2 . . . . A 129 GLU HG3 . 34813 1 401 . 1 . 1 46 46 GLU CA C 13 57.064 0.400 . 1 . . . . A 129 GLU CA . 34813 1 402 . 1 . 1 46 46 GLU CB C 13 28.550 0.400 . 1 . . . . A 129 GLU CB . 34813 1 403 . 1 . 1 46 46 GLU CG C 13 35.966 0.400 . 1 . . . . A 129 GLU CG . 34813 1 404 . 1 . 1 46 46 GLU N N 15 114.999 0.400 . 1 . . . . A 129 GLU N . 34813 1 405 . 1 . 1 47 47 SER H H 1 7.819 0.020 . 1 . . . . A 130 SER H . 34813 1 406 . 1 . 1 47 47 SER HA H 1 4.557 0.020 . 1 . . . . A 130 SER HA . 34813 1 407 . 1 . 1 47 47 SER HB2 H 1 3.642 0.020 . 2 . . . . A 130 SER HB2 . 34813 1 408 . 1 . 1 47 47 SER HB3 H 1 3.691 0.020 . 2 . . . . A 130 SER HB3 . 34813 1 409 . 1 . 1 47 47 SER CA C 13 56.648 0.400 . 1 . . . . A 130 SER CA . 34813 1 410 . 1 . 1 47 47 SER CB C 13 63.120 0.400 . 1 . . . . A 130 SER CB . 34813 1 411 . 1 . 1 47 47 SER N N 15 116.760 0.400 . 1 . . . . A 130 SER N . 34813 1 412 . 1 . 1 48 48 ILE H H 1 8.433 0.020 . 1 . . . . A 131 ILE H . 34813 1 413 . 1 . 1 48 48 ILE HA H 1 4.163 0.020 . 1 . . . . A 131 ILE HA . 34813 1 414 . 1 . 1 48 48 ILE HB H 1 1.896 0.020 . 1 . . . . A 131 ILE HB . 34813 1 415 . 1 . 1 48 48 ILE HG12 H 1 1.014 0.020 . 2 . . . . A 131 ILE HG12 . 34813 1 416 . 1 . 1 48 48 ILE HG13 H 1 1.875 0.020 . 2 . . . . A 131 ILE HG13 . 34813 1 417 . 1 . 1 48 48 ILE HG21 H 1 1.095 0.020 . 1 . . . . A 131 ILE HG21 . 34813 1 418 . 1 . 1 48 48 ILE HG22 H 1 1.095 0.020 . 1 . . . . A 131 ILE HG22 . 34813 1 419 . 1 . 1 48 48 ILE HG23 H 1 1.095 0.020 . 1 . . . . A 131 ILE HG23 . 34813 1 420 . 1 . 1 48 48 ILE HD11 H 1 1.002 0.020 . 1 . . . . A 131 ILE HD11 . 34813 1 421 . 1 . 1 48 48 ILE HD12 H 1 1.002 0.020 . 1 . . . . A 131 ILE HD12 . 34813 1 422 . 1 . 1 48 48 ILE HD13 H 1 1.002 0.020 . 1 . . . . A 131 ILE HD13 . 34813 1 423 . 1 . 1 48 48 ILE CA C 13 59.733 0.400 . 1 . . . . A 131 ILE CA . 34813 1 424 . 1 . 1 48 48 ILE CB C 13 38.128 0.400 . 1 . . . . A 131 ILE CB . 34813 1 425 . 1 . 1 48 48 ILE CG1 C 13 27.777 0.400 . 1 . . . . A 131 ILE CG1 . 34813 1 426 . 1 . 1 48 48 ILE CG2 C 13 17.235 0.400 . 1 . . . . A 131 ILE CG2 . 34813 1 427 . 1 . 1 48 48 ILE CD1 C 13 13.432 0.400 . 1 . . . . A 131 ILE CD1 . 34813 1 428 . 1 . 1 48 48 ILE N N 15 127.470 0.400 . 1 . . . . A 131 ILE N . 34813 1 429 . 1 . 1 49 49 PRO HA H 1 4.456 0.020 . 1 . . . . A 132 PRO HA . 34813 1 430 . 1 . 1 49 49 PRO HB2 H 1 2.169 0.020 . 2 . . . . A 132 PRO HB2 . 34813 1 431 . 1 . 1 49 49 PRO HB3 H 1 1.859 0.020 . 2 . . . . A 132 PRO HB3 . 34813 1 432 . 1 . 1 49 49 PRO HG2 H 1 1.955 0.020 . 2 . . . . A 132 PRO HG2 . 34813 1 433 . 1 . 1 49 49 PRO HG3 H 1 1.955 0.020 . 2 . . . . A 132 PRO HG3 . 34813 1 434 . 1 . 1 49 49 PRO HD2 H 1 3.624 0.020 . 2 . . . . A 132 PRO HD2 . 34813 1 435 . 1 . 1 49 49 PRO HD3 H 1 3.624 0.020 . 2 . . . . A 132 PRO HD3 . 34813 1 436 . 1 . 1 49 49 PRO CA C 13 62.910 0.400 . 1 . . . . A 132 PRO CA . 34813 1 437 . 1 . 1 49 49 PRO CB C 13 30.997 0.400 . 1 . . . . A 132 PRO CB . 34813 1 438 . 1 . 1 50 50 SER H H 1 8.629 0.020 . 1 . . . . A 133 SER H . 34813 1 439 . 1 . 1 50 50 SER CA C 13 58.568 0.400 . 1 . . . . A 133 SER CA . 34813 1 440 . 1 . 1 50 50 SER CB C 13 64.480 0.400 . 1 . . . . A 133 SER CB . 34813 1 441 . 1 . 1 50 50 SER N N 15 121.947 0.400 . 1 . . . . A 133 SER N . 34813 1 442 . 1 . 1 51 51 LEU H H 1 8.236 0.020 . 1 . . . . A 134 LEU H . 34813 1 443 . 1 . 1 51 51 LEU N N 15 122.784 0.400 . 1 . . . . A 134 LEU N . 34813 1 444 . 1 . 1 52 52 GLU H H 1 8.709 0.020 . 1 . . . . A 135 GLU H . 34813 1 445 . 1 . 1 52 52 GLU HA H 1 3.324 0.020 . 1 . . . . A 135 GLU HA . 34813 1 446 . 1 . 1 52 52 GLU CA C 13 59.580 0.400 . 1 . . . . A 135 GLU CA . 34813 1 447 . 1 . 1 52 52 GLU CB C 13 29.075 0.400 . 1 . . . . A 135 GLU CB . 34813 1 448 . 1 . 1 52 52 GLU N N 15 121.258 0.400 . 1 . . . . A 135 GLU N . 34813 1 449 . 1 . 1 53 53 ALA H H 1 7.922 0.020 . 1 . . . . A 136 ALA H . 34813 1 450 . 1 . 1 53 53 ALA HA H 1 3.835 0.020 . 1 . . . . A 136 ALA HA . 34813 1 451 . 1 . 1 53 53 ALA HB1 H 1 1.426 0.020 . 1 . . . . A 136 ALA HB1 . 34813 1 452 . 1 . 1 53 53 ALA HB2 H 1 1.426 0.020 . 1 . . . . A 136 ALA HB2 . 34813 1 453 . 1 . 1 53 53 ALA HB3 H 1 1.426 0.020 . 1 . . . . A 136 ALA HB3 . 34813 1 454 . 1 . 1 53 53 ALA CA C 13 54.964 0.400 . 1 . . . . A 136 ALA CA . 34813 1 455 . 1 . 1 53 53 ALA CB C 13 18.298 0.400 . 1 . . . . A 136 ALA CB . 34813 1 456 . 1 . 1 53 53 ALA N N 15 124.048 0.400 . 1 . . . . A 136 ALA N . 34813 1 457 . 1 . 1 54 54 LEU H H 1 8.855 0.020 . 1 . . . . A 137 LEU H . 34813 1 458 . 1 . 1 54 54 LEU HA H 1 3.793 0.020 . 1 . . . . A 137 LEU HA . 34813 1 459 . 1 . 1 54 54 LEU HB2 H 1 1.410 0.020 . 2 . . . . A 137 LEU HB2 . 34813 1 460 . 1 . 1 54 54 LEU HB3 H 1 1.410 0.020 . 2 . . . . A 137 LEU HB3 . 34813 1 461 . 1 . 1 54 54 LEU HG H 1 1.814 0.020 . 1 . . . . A 137 LEU HG . 34813 1 462 . 1 . 1 54 54 LEU HD11 H 1 0.602 0.020 . 2 . . . . A 137 LEU HD11 . 34813 1 463 . 1 . 1 54 54 LEU HD12 H 1 0.602 0.020 . 2 . . . . A 137 LEU HD12 . 34813 1 464 . 1 . 1 54 54 LEU HD13 H 1 0.602 0.020 . 2 . . . . A 137 LEU HD13 . 34813 1 465 . 1 . 1 54 54 LEU HD21 H 1 0.794 0.020 . 2 . . . . A 137 LEU HD21 . 34813 1 466 . 1 . 1 54 54 LEU HD22 H 1 0.794 0.020 . 2 . . . . A 137 LEU HD22 . 34813 1 467 . 1 . 1 54 54 LEU HD23 H 1 0.794 0.020 . 2 . . . . A 137 LEU HD23 . 34813 1 468 . 1 . 1 54 54 LEU CA C 13 57.257 0.400 . 1 . . . . A 137 LEU CA . 34813 1 469 . 1 . 1 54 54 LEU CB C 13 40.863 0.400 . 1 . . . . A 137 LEU CB . 34813 1 470 . 1 . 1 54 54 LEU CD1 C 13 23.373 0.400 . 1 . . . . A 137 LEU CD1 . 34813 1 471 . 1 . 1 54 54 LEU CD2 C 13 26.811 0.400 . 1 . . . . A 137 LEU CD2 . 34813 1 472 . 1 . 1 54 54 LEU N N 15 122.674 0.400 . 1 . . . . A 137 LEU N . 34813 1 473 . 1 . 1 55 55 THR H H 1 8.068 0.020 . 1 . . . . A 138 THR H . 34813 1 474 . 1 . 1 55 55 THR HA H 1 4.211 0.020 . 1 . . . . A 138 THR HA . 34813 1 475 . 1 . 1 55 55 THR HB H 1 3.383 0.020 . 1 . . . . A 138 THR HB . 34813 1 476 . 1 . 1 55 55 THR HG21 H 1 1.026 0.020 . 1 . . . . A 138 THR HG21 . 34813 1 477 . 1 . 1 55 55 THR HG22 H 1 1.026 0.020 . 1 . . . . A 138 THR HG22 . 34813 1 478 . 1 . 1 55 55 THR HG23 H 1 1.026 0.020 . 1 . . . . A 138 THR HG23 . 34813 1 479 . 1 . 1 55 55 THR CA C 13 68.293 0.400 . 1 . . . . A 138 THR CA . 34813 1 480 . 1 . 1 55 55 THR CB C 13 67.421 0.400 . 1 . . . . A 138 THR CB . 34813 1 481 . 1 . 1 55 55 THR CG2 C 13 20.711 0.400 . 1 . . . . A 138 THR CG2 . 34813 1 482 . 1 . 1 55 55 THR N N 15 115.541 0.400 . 1 . . . . A 138 THR N . 34813 1 483 . 1 . 1 56 56 ARG H H 1 7.122 0.020 . 1 . . . . A 139 ARG H . 34813 1 484 . 1 . 1 56 56 ARG HA H 1 3.919 0.020 . 1 . . . . A 139 ARG HA . 34813 1 485 . 1 . 1 56 56 ARG CA C 13 59.824 0.400 . 1 . . . . A 139 ARG CA . 34813 1 486 . 1 . 1 56 56 ARG CB C 13 30.014 0.400 . 1 . . . . A 139 ARG CB . 34813 1 487 . 1 . 1 56 56 ARG N N 15 119.212 0.400 . 1 . . . . A 139 ARG N . 34813 1 488 . 1 . 1 57 57 LYS H H 1 7.512 0.020 . 1 . . . . A 140 LYS H . 34813 1 489 . 1 . 1 57 57 LYS HA H 1 3.922 0.020 . 1 . . . . A 140 LYS HA . 34813 1 490 . 1 . 1 57 57 LYS HB2 H 1 1.790 0.020 . 2 . . . . A 140 LYS HB2 . 34813 1 491 . 1 . 1 57 57 LYS HB3 H 1 1.772 0.020 . 2 . . . . A 140 LYS HB3 . 34813 1 492 . 1 . 1 57 57 LYS HG2 H 1 1.073 0.020 . 2 . . . . A 140 LYS HG2 . 34813 1 493 . 1 . 1 57 57 LYS HG3 H 1 1.339 0.020 . 2 . . . . A 140 LYS HG3 . 34813 1 494 . 1 . 1 57 57 LYS HD2 H 1 1.446 0.020 . 2 . . . . A 140 LYS HD2 . 34813 1 495 . 1 . 1 57 57 LYS HD3 H 1 1.446 0.020 . 2 . . . . A 140 LYS HD3 . 34813 1 496 . 1 . 1 57 57 LYS HE2 H 1 2.623 0.020 . 2 . . . . A 140 LYS HE2 . 34813 1 497 . 1 . 1 57 57 LYS HE3 H 1 2.749 0.020 . 2 . . . . A 140 LYS HE3 . 34813 1 498 . 1 . 1 57 57 LYS HZ1 H 1 7.003 0.020 . 1 . . . . A 140 LYS HZ1 . 34813 1 499 . 1 . 1 57 57 LYS HZ2 H 1 7.003 0.020 . 1 . . . . A 140 LYS HZ2 . 34813 1 500 . 1 . 1 57 57 LYS HZ3 H 1 7.003 0.020 . 1 . . . . A 140 LYS HZ3 . 34813 1 501 . 1 . 1 57 57 LYS CA C 13 59.586 0.400 . 1 . . . . A 140 LYS CA . 34813 1 502 . 1 . 1 57 57 LYS CB C 13 32.623 0.400 . 1 . . . . A 140 LYS CB . 34813 1 503 . 1 . 1 57 57 LYS CG C 13 24.794 0.400 . 1 . . . . A 140 LYS CG . 34813 1 504 . 1 . 1 57 57 LYS CD C 13 29.532 0.400 . 1 . . . . A 140 LYS CD . 34813 1 505 . 1 . 1 57 57 LYS CE C 13 41.780 0.400 . 1 . . . . A 140 LYS CE . 34813 1 506 . 1 . 1 57 57 LYS N N 15 120.473 0.400 . 1 . . . . A 140 LYS N . 34813 1 507 . 1 . 1 58 58 VAL H H 1 7.929 0.020 . 1 . . . . A 141 VAL H . 34813 1 508 . 1 . 1 58 58 VAL HA H 1 3.313 0.020 . 1 . . . . A 141 VAL HA . 34813 1 509 . 1 . 1 58 58 VAL HB H 1 1.679 0.020 . 1 . . . . A 141 VAL HB . 34813 1 510 . 1 . 1 58 58 VAL HG11 H 1 0.252 0.020 . 2 . . . . A 141 VAL HG11 . 34813 1 511 . 1 . 1 58 58 VAL HG12 H 1 0.252 0.020 . 2 . . . . A 141 VAL HG12 . 34813 1 512 . 1 . 1 58 58 VAL HG13 H 1 0.252 0.020 . 2 . . . . A 141 VAL HG13 . 34813 1 513 . 1 . 1 58 58 VAL HG21 H 1 0.243 0.020 . 2 . . . . A 141 VAL HG21 . 34813 1 514 . 1 . 1 58 58 VAL HG22 H 1 0.243 0.020 . 2 . . . . A 141 VAL HG22 . 34813 1 515 . 1 . 1 58 58 VAL HG23 H 1 0.243 0.020 . 2 . . . . A 141 VAL HG23 . 34813 1 516 . 1 . 1 58 58 VAL CA C 13 63.652 0.400 . 1 . . . . A 141 VAL CA . 34813 1 517 . 1 . 1 58 58 VAL CB C 13 30.936 0.400 . 1 . . . . A 141 VAL CB . 34813 1 518 . 1 . 1 58 58 VAL CG1 C 13 18.753 0.400 . 1 . . . . A 141 VAL CG1 . 34813 1 519 . 1 . 1 58 58 VAL CG2 C 13 20.225 0.400 . 1 . . . . A 141 VAL CG2 . 34813 1 520 . 1 . 1 58 58 VAL N N 15 113.195 0.400 . 1 . . . . A 141 VAL N . 34813 1 521 . 1 . 1 59 59 HIS H H 1 7.311 0.020 . 1 . . . . A 142 HIS H . 34813 1 522 . 1 . 1 59 59 HIS HA H 1 4.363 0.020 . 1 . . . . A 142 HIS HA . 34813 1 523 . 1 . 1 59 59 HIS HB2 H 1 3.095 0.020 . 2 . . . . A 142 HIS HB2 . 34813 1 524 . 1 . 1 59 59 HIS HB3 H 1 3.095 0.020 . 2 . . . . A 142 HIS HB3 . 34813 1 525 . 1 . 1 59 59 HIS CA C 13 58.151 0.400 . 1 . . . . A 142 HIS CA . 34813 1 526 . 1 . 1 59 59 HIS CB C 13 29.723 0.400 . 1 . . . . A 142 HIS CB . 34813 1 527 . 1 . 1 59 59 HIS N N 15 119.474 0.400 . 1 . . . . A 142 HIS N . 34813 1 528 . 1 . 1 60 60 ASN H H 1 8.005 0.020 . 1 . . . . A 143 ASN H . 34813 1 529 . 1 . 1 60 60 ASN HA H 1 3.914 0.020 . 1 . . . . A 143 ASN HA . 34813 1 530 . 1 . 1 60 60 ASN HB2 H 1 2.681 0.020 . 2 . . . . A 143 ASN HB2 . 34813 1 531 . 1 . 1 60 60 ASN HB3 H 1 2.692 0.020 . 2 . . . . A 143 ASN HB3 . 34813 1 532 . 1 . 1 60 60 ASN CA C 13 54.686 0.400 . 1 . . . . A 143 ASN CA . 34813 1 533 . 1 . 1 60 60 ASN CB C 13 38.768 0.400 . 1 . . . . A 143 ASN CB . 34813 1 534 . 1 . 1 60 60 ASN N N 15 117.445 0.400 . 1 . . . . A 143 ASN N . 34813 1 535 . 1 . 1 61 61 PHE H H 1 7.856 0.020 . 1 . . . . A 144 PHE H . 34813 1 536 . 1 . 1 61 61 PHE HA H 1 4.491 0.020 . 1 . . . . A 144 PHE HA . 34813 1 537 . 1 . 1 61 61 PHE HB2 H 1 2.972 0.020 . 2 . . . . A 144 PHE HB2 . 34813 1 538 . 1 . 1 61 61 PHE HB3 H 1 2.972 0.020 . 2 . . . . A 144 PHE HB3 . 34813 1 539 . 1 . 1 61 61 PHE HD1 H 1 6.972 0.020 . 3 . . . . A 144 PHE HD1 . 34813 1 540 . 1 . 1 61 61 PHE HD2 H 1 6.972 0.020 . 3 . . . . A 144 PHE HD2 . 34813 1 541 . 1 . 1 61 61 PHE HE1 H 1 6.960 0.020 . 3 . . . . A 144 PHE HE1 . 34813 1 542 . 1 . 1 61 61 PHE HE2 H 1 6.960 0.020 . 3 . . . . A 144 PHE HE2 . 34813 1 543 . 1 . 1 61 61 PHE CA C 13 57.295 0.400 . 1 . . . . A 144 PHE CA . 34813 1 544 . 1 . 1 61 61 PHE CB C 13 37.958 0.400 . 1 . . . . A 144 PHE CB . 34813 1 545 . 1 . 1 61 61 PHE N N 15 118.995 0.400 . 1 . . . . A 144 PHE N . 34813 1 546 . 1 . 1 62 62 GLN H H 1 7.980 0.020 . 1 . . . . A 145 GLN H . 34813 1 547 . 1 . 1 62 62 GLN HA H 1 4.053 0.020 . 1 . . . . A 145 GLN HA . 34813 1 548 . 1 . 1 62 62 GLN HB2 H 1 2.094 0.020 . 2 . . . . A 145 GLN HB2 . 34813 1 549 . 1 . 1 62 62 GLN HB3 H 1 1.983 0.020 . 2 . . . . A 145 GLN HB3 . 34813 1 550 . 1 . 1 62 62 GLN HG2 H 1 2.241 0.020 . 2 . . . . A 145 GLN HG2 . 34813 1 551 . 1 . 1 62 62 GLN HG3 H 1 2.241 0.020 . 2 . . . . A 145 GLN HG3 . 34813 1 552 . 1 . 1 62 62 GLN CA C 13 56.502 0.400 . 1 . . . . A 145 GLN CA . 34813 1 553 . 1 . 1 62 62 GLN CB C 13 28.012 0.400 . 1 . . . . A 145 GLN CB . 34813 1 554 . 1 . 1 62 62 GLN N N 15 119.593 0.400 . 1 . . . . A 145 GLN N . 34813 1 555 . 1 . 1 63 63 MET HE1 H 1 1.735 0.020 . 1 . . . . A 146 MET HE1 . 34813 1 556 . 1 . 1 63 63 MET HE2 H 1 1.735 0.020 . 1 . . . . A 146 MET HE2 . 34813 1 557 . 1 . 1 63 63 MET HE3 H 1 1.735 0.020 . 1 . . . . A 146 MET HE3 . 34813 1 558 . 1 . 1 63 63 MET CE C 13 17.346 0.400 . 1 . . . . A 146 MET CE . 34813 1 559 . 1 . 1 65 65 CYS CB C 13 40.661 0.400 . 1 . . . . A 148 CYS CB . 34813 1 560 . 1 . 1 66 66 SER H H 1 8.112 0.020 . 1 . . . . A 149 SER H . 34813 1 561 . 1 . 1 66 66 SER HA H 1 4.302 0.020 . 1 . . . . A 149 SER HA . 34813 1 562 . 1 . 1 66 66 SER HB2 H 1 3.830 0.020 . 2 . . . . A 149 SER HB2 . 34813 1 563 . 1 . 1 66 66 SER HB3 H 1 3.830 0.020 . 2 . . . . A 149 SER HB3 . 34813 1 564 . 1 . 1 66 66 SER CA C 13 58.632 0.400 . 1 . . . . A 149 SER CA . 34813 1 565 . 1 . 1 66 66 SER CB C 13 64.030 0.400 . 1 . . . . A 149 SER CB . 34813 1 566 . 1 . 1 66 66 SER N N 15 115.806 0.400 . 1 . . . . A 149 SER N . 34813 1 567 . 1 . 1 67 67 LEU H H 1 8.082 0.020 . 1 . . . . A 150 LEU H . 34813 1 568 . 1 . 1 67 67 LEU HA H 1 4.218 0.020 . 1 . . . . A 150 LEU HA . 34813 1 569 . 1 . 1 67 67 LEU HB2 H 1 1.563 0.020 . 2 . . . . A 150 LEU HB2 . 34813 1 570 . 1 . 1 67 67 LEU HB3 H 1 1.563 0.020 . 2 . . . . A 150 LEU HB3 . 34813 1 571 . 1 . 1 67 67 LEU HD11 H 1 0.863 0.020 . 2 . . . . A 150 LEU HD11 . 34813 1 572 . 1 . 1 67 67 LEU HD12 H 1 0.863 0.020 . 2 . . . . A 150 LEU HD12 . 34813 1 573 . 1 . 1 67 67 LEU HD13 H 1 0.863 0.020 . 2 . . . . A 150 LEU HD13 . 34813 1 574 . 1 . 1 67 67 LEU HD21 H 1 0.850 0.020 . 2 . . . . A 150 LEU HD21 . 34813 1 575 . 1 . 1 67 67 LEU HD22 H 1 0.850 0.020 . 2 . . . . A 150 LEU HD22 . 34813 1 576 . 1 . 1 67 67 LEU HD23 H 1 0.850 0.020 . 2 . . . . A 150 LEU HD23 . 34813 1 577 . 1 . 1 67 67 LEU CA C 13 55.564 0.400 . 1 . . . . A 150 LEU CA . 34813 1 578 . 1 . 1 67 67 LEU CB C 13 41.862 0.400 . 1 . . . . A 150 LEU CB . 34813 1 579 . 1 . 1 67 67 LEU CD1 C 13 20.979 0.400 . 1 . . . . A 150 LEU CD1 . 34813 1 580 . 1 . 1 67 67 LEU CD2 C 13 19.997 0.400 . 1 . . . . A 150 LEU CD2 . 34813 1 581 . 1 . 1 67 67 LEU N N 15 123.526 0.400 . 1 . . . . A 150 LEU N . 34813 1 582 . 1 . 1 68 68 GLN H H 1 7.966 0.020 . 1 . . . . A 151 GLN H . 34813 1 583 . 1 . 1 68 68 GLN HA H 1 4.173 0.020 . 1 . . . . A 151 GLN HA . 34813 1 584 . 1 . 1 68 68 GLN HB2 H 1 1.839 0.020 . 2 . . . . A 151 GLN HB2 . 34813 1 585 . 1 . 1 68 68 GLN HB3 H 1 1.980 0.020 . 2 . . . . A 151 GLN HB3 . 34813 1 586 . 1 . 1 68 68 GLN HG2 H 1 2.190 0.020 . 2 . . . . A 151 GLN HG2 . 34813 1 587 . 1 . 1 68 68 GLN HG3 H 1 2.191 0.020 . 2 . . . . A 151 GLN HG3 . 34813 1 588 . 1 . 1 68 68 GLN HE21 H 1 6.726 0.020 . 2 . . . . A 151 GLN HE21 . 34813 1 589 . 1 . 1 68 68 GLN HE22 H 1 7.325 0.020 . 2 . . . . A 151 GLN HE22 . 34813 1 590 . 1 . 1 68 68 GLN CA C 13 55.791 0.400 . 1 . . . . A 151 GLN CA . 34813 1 591 . 1 . 1 68 68 GLN CB C 13 29.190 0.400 . 1 . . . . A 151 GLN CB . 34813 1 592 . 1 . 1 68 68 GLN CG C 13 33.761 0.400 . 1 . . . . A 151 GLN CG . 34813 1 593 . 1 . 1 68 68 GLN N N 15 120.403 0.400 . 1 . . . . A 151 GLN N . 34813 1 594 . 1 . 1 69 69 ALA H H 1 7.916 0.020 . 1 . . . . A 152 ALA H . 34813 1 595 . 1 . 1 69 69 ALA HA H 1 4.226 0.020 . 1 . . . . A 152 ALA HA . 34813 1 596 . 1 . 1 69 69 ALA HB1 H 1 1.321 0.020 . 1 . . . . A 152 ALA HB1 . 34813 1 597 . 1 . 1 69 69 ALA HB2 H 1 1.321 0.020 . 1 . . . . A 152 ALA HB2 . 34813 1 598 . 1 . 1 69 69 ALA HB3 H 1 1.321 0.020 . 1 . . . . A 152 ALA HB3 . 34813 1 599 . 1 . 1 69 69 ALA CA C 13 52.470 0.400 . 1 . . . . A 152 ALA CA . 34813 1 600 . 1 . 1 69 69 ALA CB C 13 19.238 0.400 . 1 . . . . A 152 ALA CB . 34813 1 601 . 1 . 1 69 69 ALA N N 15 124.813 0.400 . 1 . . . . A 152 ALA N . 34813 1 602 . 1 . 1 70 70 LYS H H 1 8.078 0.020 . 1 . . . . A 153 LYS H . 34813 1 603 . 1 . 1 70 70 LYS HA H 1 4.523 0.020 . 1 . . . . A 153 LYS HA . 34813 1 604 . 1 . 1 70 70 LYS HB2 H 1 1.688 0.020 . 2 . . . . A 153 LYS HB2 . 34813 1 605 . 1 . 1 70 70 LYS HB3 H 1 1.804 0.020 . 2 . . . . A 153 LYS HB3 . 34813 1 606 . 1 . 1 70 70 LYS HG2 H 1 1.438 0.020 . 2 . . . . A 153 LYS HG2 . 34813 1 607 . 1 . 1 70 70 LYS HG3 H 1 1.453 0.020 . 2 . . . . A 153 LYS HG3 . 34813 1 608 . 1 . 1 70 70 LYS HD2 H 1 1.671 0.020 . 2 . . . . A 153 LYS HD2 . 34813 1 609 . 1 . 1 70 70 LYS HD3 H 1 1.671 0.020 . 2 . . . . A 153 LYS HD3 . 34813 1 610 . 1 . 1 70 70 LYS HE2 H 1 2.957 0.020 . 2 . . . . A 153 LYS HE2 . 34813 1 611 . 1 . 1 70 70 LYS HE3 H 1 2.957 0.020 . 2 . . . . A 153 LYS HE3 . 34813 1 612 . 1 . 1 70 70 LYS CA C 13 54.092 0.400 . 1 . . . . A 153 LYS CA . 34813 1 613 . 1 . 1 70 70 LYS CB C 13 32.505 0.400 . 1 . . . . A 153 LYS CB . 34813 1 614 . 1 . 1 70 70 LYS CG C 13 24.531 0.400 . 1 . . . . A 153 LYS CG . 34813 1 615 . 1 . 1 70 70 LYS CD C 13 29.193 0.400 . 1 . . . . A 153 LYS CD . 34813 1 616 . 1 . 1 70 70 LYS CE C 13 42.159 0.400 . 1 . . . . A 153 LYS CE . 34813 1 617 . 1 . 1 70 70 LYS N N 15 121.942 0.400 . 1 . . . . A 153 LYS N . 34813 1 618 . 1 . 1 71 71 PRO HA H 1 4.319 0.020 . 1 . . . . A 154 PRO HA . 34813 1 619 . 1 . 1 71 71 PRO HB2 H 1 2.223 0.020 . 2 . . . . A 154 PRO HB2 . 34813 1 620 . 1 . 1 71 71 PRO HB3 H 1 1.836 0.020 . 2 . . . . A 154 PRO HB3 . 34813 1 621 . 1 . 1 71 71 PRO HG2 H 1 1.962 0.020 . 2 . . . . A 154 PRO HG2 . 34813 1 622 . 1 . 1 71 71 PRO HG3 H 1 1.962 0.020 . 2 . . . . A 154 PRO HG3 . 34813 1 623 . 1 . 1 71 71 PRO HD2 H 1 3.568 0.020 . 2 . . . . A 154 PRO HD2 . 34813 1 624 . 1 . 1 71 71 PRO HD3 H 1 3.746 0.020 . 2 . . . . A 154 PRO HD3 . 34813 1 625 . 1 . 1 71 71 PRO CB C 13 31.780 0.400 . 1 . . . . A 154 PRO CB . 34813 1 626 . 1 . 1 71 71 PRO CD C 13 50.535 0.400 . 1 . . . . A 154 PRO CD . 34813 1 627 . 1 . 1 72 72 ALA H H 1 8.278 0.020 . 1 . . . . A 155 ALA H . 34813 1 628 . 1 . 1 72 72 ALA HA H 1 4.227 0.020 . 1 . . . . A 155 ALA HA . 34813 1 629 . 1 . 1 72 72 ALA HB1 H 1 1.330 0.020 . 1 . . . . A 155 ALA HB1 . 34813 1 630 . 1 . 1 72 72 ALA HB2 H 1 1.330 0.020 . 1 . . . . A 155 ALA HB2 . 34813 1 631 . 1 . 1 72 72 ALA HB3 H 1 1.330 0.020 . 1 . . . . A 155 ALA HB3 . 34813 1 632 . 1 . 1 72 72 ALA CA C 13 52.428 0.400 . 1 . . . . A 155 ALA CA . 34813 1 633 . 1 . 1 72 72 ALA CB C 13 19.115 0.400 . 1 . . . . A 155 ALA CB . 34813 1 634 . 1 . 1 72 72 ALA N N 15 124.942 0.400 . 1 . . . . A 155 ALA N . 34813 1 635 . 1 . 1 73 73 VAL H H 1 7.915 0.020 . 1 . . . . A 156 VAL H . 34813 1 636 . 1 . 1 73 73 VAL HA H 1 4.359 0.020 . 1 . . . . A 156 VAL HA . 34813 1 637 . 1 . 1 73 73 VAL HB H 1 2.029 0.020 . 1 . . . . A 156 VAL HB . 34813 1 638 . 1 . 1 73 73 VAL HG11 H 1 0.904 0.020 . 2 . . . . A 156 VAL HG11 . 34813 1 639 . 1 . 1 73 73 VAL HG12 H 1 0.904 0.020 . 2 . . . . A 156 VAL HG12 . 34813 1 640 . 1 . 1 73 73 VAL HG13 H 1 0.904 0.020 . 2 . . . . A 156 VAL HG13 . 34813 1 641 . 1 . 1 73 73 VAL HG21 H 1 0.934 0.020 . 2 . . . . A 156 VAL HG21 . 34813 1 642 . 1 . 1 73 73 VAL HG22 H 1 0.934 0.020 . 2 . . . . A 156 VAL HG22 . 34813 1 643 . 1 . 1 73 73 VAL HG23 H 1 0.934 0.020 . 2 . . . . A 156 VAL HG23 . 34813 1 644 . 1 . 1 73 73 VAL CA C 13 59.539 0.400 . 1 . . . . A 156 VAL CA . 34813 1 645 . 1 . 1 73 73 VAL CB C 13 32.694 0.400 . 1 . . . . A 156 VAL CB . 34813 1 646 . 1 . 1 73 73 VAL CG1 C 13 20.229 0.400 . 1 . . . . A 156 VAL CG1 . 34813 1 647 . 1 . 1 73 73 VAL CG2 C 13 21.101 0.400 . 1 . . . . A 156 VAL CG2 . 34813 1 648 . 1 . 1 73 73 VAL N N 15 120.430 0.400 . 1 . . . . A 156 VAL N . 34813 1 649 . 1 . 1 74 74 PRO HA H 1 4.392 0.020 . 1 . . . . A 157 PRO HA . 34813 1 650 . 1 . 1 74 74 PRO HB2 H 1 2.264 0.020 . 2 . . . . A 157 PRO HB2 . 34813 1 651 . 1 . 1 74 74 PRO HB3 H 1 1.896 0.020 . 2 . . . . A 157 PRO HB3 . 34813 1 652 . 1 . 1 74 74 PRO HG2 H 1 1.990 0.020 . 2 . . . . A 157 PRO HG2 . 34813 1 653 . 1 . 1 74 74 PRO HG3 H 1 1.990 0.020 . 2 . . . . A 157 PRO HG3 . 34813 1 654 . 1 . 1 74 74 PRO HD2 H 1 3.622 0.020 . 2 . . . . A 157 PRO HD2 . 34813 1 655 . 1 . 1 74 74 PRO HD3 H 1 3.791 0.020 . 2 . . . . A 157 PRO HD3 . 34813 1 656 . 1 . 1 74 74 PRO CA C 13 63.187 0.400 . 1 . . . . A 157 PRO CA . 34813 1 657 . 1 . 1 74 74 PRO CB C 13 32.087 0.400 . 1 . . . . A 157 PRO CB . 34813 1 658 . 1 . 1 74 74 PRO CG C 13 27.337 0.400 . 1 . . . . A 157 PRO CG . 34813 1 659 . 1 . 1 74 74 PRO CD C 13 50.968 0.400 . 1 . . . . A 157 PRO CD . 34813 1 660 . 1 . 1 75 75 THR H H 1 8.091 0.020 . 1 . . . . A 158 THR H . 34813 1 661 . 1 . 1 75 75 THR HA H 1 4.221 0.020 . 1 . . . . A 158 THR HA . 34813 1 662 . 1 . 1 75 75 THR HB H 1 4.177 0.020 . 1 . . . . A 158 THR HB . 34813 1 663 . 1 . 1 75 75 THR HG21 H 1 1.206 0.020 . 1 . . . . A 158 THR HG21 . 34813 1 664 . 1 . 1 75 75 THR HG22 H 1 1.206 0.020 . 1 . . . . A 158 THR HG22 . 34813 1 665 . 1 . 1 75 75 THR HG23 H 1 1.206 0.020 . 1 . . . . A 158 THR HG23 . 34813 1 666 . 1 . 1 75 75 THR CA C 13 62.089 0.400 . 1 . . . . A 158 THR CA . 34813 1 667 . 1 . 1 75 75 THR CB C 13 69.746 0.400 . 1 . . . . A 158 THR CB . 34813 1 668 . 1 . 1 75 75 THR CG2 C 13 21.656 0.400 . 1 . . . . A 158 THR CG2 . 34813 1 669 . 1 . 1 75 75 THR N N 15 114.574 0.400 . 1 . . . . A 158 THR N . 34813 1 670 . 1 . 1 76 76 SER H H 1 8.139 0.020 . 1 . . . . A 159 SER H . 34813 1 671 . 1 . 1 76 76 SER CA C 13 58.740 0.400 . 1 . . . . A 159 SER CA . 34813 1 672 . 1 . 1 76 76 SER CB C 13 64.280 0.400 . 1 . . . . A 159 SER CB . 34813 1 673 . 1 . 1 76 76 SER N N 15 118.121 0.400 . 1 . . . . A 159 SER N . 34813 1 674 . 1 . 1 77 77 LYS H H 1 8.222 0.020 . 1 . . . . A 160 LYS H . 34813 1 675 . 1 . 1 77 77 LYS CA C 13 56.542 0.400 . 1 . . . . A 160 LYS CA . 34813 1 676 . 1 . 1 77 77 LYS CB C 13 32.184 0.400 . 1 . . . . A 160 LYS CB . 34813 1 677 . 1 . 1 77 77 LYS N N 15 123.432 0.400 . 1 . . . . A 160 LYS N . 34813 1 678 . 1 . 1 78 78 LEU H H 1 8.015 0.020 . 1 . . . . A 161 LEU H . 34813 1 679 . 1 . 1 78 78 LEU HA H 1 4.237 0.020 . 1 . . . . A 161 LEU HA . 34813 1 680 . 1 . 1 78 78 LEU HB2 H 1 1.576 0.020 . 2 . . . . A 161 LEU HB2 . 34813 1 681 . 1 . 1 78 78 LEU HB3 H 1 1.576 0.020 . 2 . . . . A 161 LEU HB3 . 34813 1 682 . 1 . 1 78 78 LEU HD11 H 1 0.879 0.020 . 2 . . . . A 161 LEU HD11 . 34813 1 683 . 1 . 1 78 78 LEU HD12 H 1 0.879 0.020 . 2 . . . . A 161 LEU HD12 . 34813 1 684 . 1 . 1 78 78 LEU HD13 H 1 0.879 0.020 . 2 . . . . A 161 LEU HD13 . 34813 1 685 . 1 . 1 78 78 LEU HD21 H 1 0.836 0.020 . 2 . . . . A 161 LEU HD21 . 34813 1 686 . 1 . 1 78 78 LEU HD22 H 1 0.836 0.020 . 2 . . . . A 161 LEU HD22 . 34813 1 687 . 1 . 1 78 78 LEU HD23 H 1 0.836 0.020 . 2 . . . . A 161 LEU HD23 . 34813 1 688 . 1 . 1 78 78 LEU CA C 13 55.974 0.400 . 1 . . . . A 161 LEU CA . 34813 1 689 . 1 . 1 78 78 LEU CB C 13 41.927 0.400 . 1 . . . . A 161 LEU CB . 34813 1 690 . 1 . 1 78 78 LEU CD1 C 13 24.970 0.400 . 1 . . . . A 161 LEU CD1 . 34813 1 691 . 1 . 1 78 78 LEU CD2 C 13 23.485 0.400 . 1 . . . . A 161 LEU CD2 . 34813 1 692 . 1 . 1 78 78 LEU N N 15 122.835 0.400 . 1 . . . . A 161 LEU N . 34813 1 693 . 1 . 1 79 79 GLY H H 1 8.295 0.020 . 1 . . . . A 162 GLY H . 34813 1 694 . 1 . 1 79 79 GLY HA2 H 1 3.808 0.020 . 2 . . . . A 162 GLY HA2 . 34813 1 695 . 1 . 1 79 79 GLY HA3 H 1 3.826 0.020 . 2 . . . . A 162 GLY HA3 . 34813 1 696 . 1 . 1 79 79 GLY CA C 13 45.540 0.400 . 1 . . . . A 162 GLY CA . 34813 1 697 . 1 . 1 79 79 GLY N N 15 110.229 0.400 . 1 . . . . A 162 GLY N . 34813 1 698 . 1 . 1 80 80 GLN H H 1 8.006 0.020 . 1 . . . . A 163 GLN H . 34813 1 699 . 1 . 1 80 80 GLN CA C 13 56.040 0.400 . 1 . . . . A 163 GLN CA . 34813 1 700 . 1 . 1 80 80 GLN CB C 13 29.276 0.400 . 1 . . . . A 163 GLN CB . 34813 1 701 . 1 . 1 80 80 GLN N N 15 120.179 0.400 . 1 . . . . A 163 GLN N . 34813 1 702 . 1 . 1 81 81 ALA H H 1 8.249 0.020 . 1 . . . . A 164 ALA H . 34813 1 703 . 1 . 1 81 81 ALA HA H 1 4.250 0.020 . 1 . . . . A 164 ALA HA . 34813 1 704 . 1 . 1 81 81 ALA HB1 H 1 1.334 0.020 . 1 . . . . A 164 ALA HB1 . 34813 1 705 . 1 . 1 81 81 ALA HB2 H 1 1.334 0.020 . 1 . . . . A 164 ALA HB2 . 34813 1 706 . 1 . 1 81 81 ALA HB3 H 1 1.334 0.020 . 1 . . . . A 164 ALA HB3 . 34813 1 707 . 1 . 1 81 81 ALA CA C 13 52.923 0.400 . 1 . . . . A 164 ALA CA . 34813 1 708 . 1 . 1 81 81 ALA CB C 13 19.094 0.400 . 1 . . . . A 164 ALA CB . 34813 1 709 . 1 . 1 81 81 ALA N N 15 125.435 0.400 . 1 . . . . A 164 ALA N . 34813 1 710 . 1 . 1 82 82 GLU H H 1 8.259 0.020 . 1 . . . . A 165 GLU H . 34813 1 711 . 1 . 1 82 82 GLU HA H 1 4.191 0.020 . 1 . . . . A 165 GLU HA . 34813 1 712 . 1 . 1 82 82 GLU HB2 H 1 2.015 0.020 . 2 . . . . A 165 GLU HB2 . 34813 1 713 . 1 . 1 82 82 GLU HB3 H 1 1.915 0.020 . 2 . . . . A 165 GLU HB3 . 34813 1 714 . 1 . 1 82 82 GLU HG2 H 1 2.216 0.020 . 2 . . . . A 165 GLU HG2 . 34813 1 715 . 1 . 1 82 82 GLU HG3 H 1 2.219 0.020 . 2 . . . . A 165 GLU HG3 . 34813 1 716 . 1 . 1 82 82 GLU CA C 13 56.761 0.400 . 1 . . . . A 165 GLU CA . 34813 1 717 . 1 . 1 82 82 GLU CB C 13 30.228 0.400 . 1 . . . . A 165 GLU CB . 34813 1 718 . 1 . 1 82 82 GLU CG C 13 36.268 0.400 . 1 . . . . A 165 GLU CG . 34813 1 719 . 1 . 1 82 82 GLU N N 15 120.228 0.400 . 1 . . . . A 165 GLU N . 34813 1 720 . 1 . 1 83 83 GLY H H 1 8.293 0.020 . 1 . . . . A 166 GLY H . 34813 1 721 . 1 . 1 83 83 GLY HA2 H 1 3.880 0.020 . 2 . . . . A 166 GLY HA2 . 34813 1 722 . 1 . 1 83 83 GLY HA3 H 1 3.880 0.020 . 2 . . . . A 166 GLY HA3 . 34813 1 723 . 1 . 1 83 83 GLY CA C 13 45.431 0.400 . 1 . . . . A 166 GLY CA . 34813 1 724 . 1 . 1 83 83 GLY N N 15 110.161 0.400 . 1 . . . . A 166 GLY N . 34813 1 725 . 1 . 1 84 84 ARG H H 1 8.019 0.020 . 1 . . . . A 167 ARG H . 34813 1 726 . 1 . 1 84 84 ARG HA H 1 4.249 0.020 . 1 . . . . A 167 ARG HA . 34813 1 727 . 1 . 1 84 84 ARG HB2 H 1 1.802 0.020 . 2 . . . . A 167 ARG HB2 . 34813 1 728 . 1 . 1 84 84 ARG HB3 H 1 1.721 0.020 . 2 . . . . A 167 ARG HB3 . 34813 1 729 . 1 . 1 84 84 ARG HG2 H 1 1.563 0.020 . 2 . . . . A 167 ARG HG2 . 34813 1 730 . 1 . 1 84 84 ARG HG3 H 1 1.563 0.020 . 2 . . . . A 167 ARG HG3 . 34813 1 731 . 1 . 1 84 84 ARG HD2 H 1 3.114 0.020 . 2 . . . . A 167 ARG HD2 . 34813 1 732 . 1 . 1 84 84 ARG HD3 H 1 3.114 0.020 . 2 . . . . A 167 ARG HD3 . 34813 1 733 . 1 . 1 84 84 ARG CA C 13 56.183 0.400 . 1 . . . . A 167 ARG CA . 34813 1 734 . 1 . 1 84 84 ARG CB C 13 30.809 0.400 . 1 . . . . A 167 ARG CB . 34813 1 735 . 1 . 1 84 84 ARG CG C 13 26.948 0.400 . 1 . . . . A 167 ARG CG . 34813 1 736 . 1 . 1 84 84 ARG CD C 13 43.258 0.400 . 1 . . . . A 167 ARG CD . 34813 1 737 . 1 . 1 84 84 ARG N N 15 120.807 0.400 . 1 . . . . A 167 ARG N . 34813 1 738 . 1 . 1 85 85 ASP H H 1 8.279 0.020 . 1 . . . . A 168 ASP H . 34813 1 739 . 1 . 1 85 85 ASP HA H 1 4.510 0.020 . 1 . . . . A 168 ASP HA . 34813 1 740 . 1 . 1 85 85 ASP HB2 H 1 2.576 0.020 . 2 . . . . A 168 ASP HB2 . 34813 1 741 . 1 . 1 85 85 ASP HB3 H 1 2.659 0.020 . 2 . . . . A 168 ASP HB3 . 34813 1 742 . 1 . 1 85 85 ASP CA C 13 54.293 0.400 . 1 . . . . A 168 ASP CA . 34813 1 743 . 1 . 1 85 85 ASP CB C 13 41.244 0.400 . 1 . . . . A 168 ASP CB . 34813 1 744 . 1 . 1 85 85 ASP N N 15 121.467 0.400 . 1 . . . . A 168 ASP N . 34813 1 745 . 1 . 1 86 86 ALA H H 1 8.161 0.020 . 1 . . . . A 169 ALA H . 34813 1 746 . 1 . 1 86 86 ALA HA H 1 4.199 0.020 . 1 . . . . A 169 ALA HA . 34813 1 747 . 1 . 1 86 86 ALA HB1 H 1 1.351 0.020 . 1 . . . . A 169 ALA HB1 . 34813 1 748 . 1 . 1 86 86 ALA HB2 H 1 1.351 0.020 . 1 . . . . A 169 ALA HB2 . 34813 1 749 . 1 . 1 86 86 ALA HB3 H 1 1.351 0.020 . 1 . . . . A 169 ALA HB3 . 34813 1 750 . 1 . 1 86 86 ALA CA C 13 53.045 0.400 . 1 . . . . A 169 ALA CA . 34813 1 751 . 1 . 1 86 86 ALA CB C 13 19.061 0.400 . 1 . . . . A 169 ALA CB . 34813 1 752 . 1 . 1 86 86 ALA N N 15 125.150 0.400 . 1 . . . . A 169 ALA N . 34813 1 753 . 1 . 1 87 87 GLY H H 1 8.299 0.020 . 1 . . . . A 170 GLY H . 34813 1 754 . 1 . 1 87 87 GLY HA2 H 1 3.875 0.020 . 2 . . . . A 170 GLY HA2 . 34813 1 755 . 1 . 1 87 87 GLY HA3 H 1 3.875 0.020 . 2 . . . . A 170 GLY HA3 . 34813 1 756 . 1 . 1 87 87 GLY CA C 13 45.484 0.400 . 1 . . . . A 170 GLY CA . 34813 1 757 . 1 . 1 87 87 GLY N N 15 108.079 0.400 . 1 . . . . A 170 GLY N . 34813 1 758 . 1 . 1 88 88 SER H H 1 7.913 0.020 . 1 . . . . A 171 SER H . 34813 1 759 . 1 . 1 88 88 SER HA H 1 4.382 0.020 . 1 . . . . A 171 SER HA . 34813 1 760 . 1 . 1 88 88 SER HB2 H 1 3.787 0.020 . 2 . . . . A 171 SER HB2 . 34813 1 761 . 1 . 1 88 88 SER HB3 H 1 3.781 0.020 . 2 . . . . A 171 SER HB3 . 34813 1 762 . 1 . 1 88 88 SER CA C 13 58.264 0.400 . 1 . . . . A 171 SER CA . 34813 1 763 . 1 . 1 88 88 SER CB C 13 63.981 0.400 . 1 . . . . A 171 SER CB . 34813 1 764 . 1 . 1 88 88 SER N N 15 115.731 0.400 . 1 . . . . A 171 SER N . 34813 1 765 . 1 . 1 89 89 ALA H H 1 8.141 0.020 . 1 . . . . A 172 ALA H . 34813 1 766 . 1 . 1 89 89 ALA HA H 1 4.501 0.020 . 1 . . . . A 172 ALA HA . 34813 1 767 . 1 . 1 89 89 ALA HB1 H 1 1.304 0.020 . 1 . . . . A 172 ALA HB1 . 34813 1 768 . 1 . 1 89 89 ALA HB2 H 1 1.304 0.020 . 1 . . . . A 172 ALA HB2 . 34813 1 769 . 1 . 1 89 89 ALA HB3 H 1 1.304 0.020 . 1 . . . . A 172 ALA HB3 . 34813 1 770 . 1 . 1 89 89 ALA CA C 13 50.589 0.400 . 1 . . . . A 172 ALA CA . 34813 1 771 . 1 . 1 89 89 ALA CB C 13 18.220 0.400 . 1 . . . . A 172 ALA CB . 34813 1 772 . 1 . 1 89 89 ALA N N 15 127.080 0.400 . 1 . . . . A 172 ALA N . 34813 1 773 . 1 . 1 90 90 PRO HA H 1 4.341 0.020 . 1 . . . . A 173 PRO HA . 34813 1 774 . 1 . 1 90 90 PRO HB2 H 1 1.858 0.020 . 2 . . . . A 173 PRO HB2 . 34813 1 775 . 1 . 1 90 90 PRO HB3 H 1 2.215 0.020 . 2 . . . . A 173 PRO HB3 . 34813 1 776 . 1 . 1 90 90 PRO HG2 H 1 1.948 0.020 . 2 . . . . A 173 PRO HG2 . 34813 1 777 . 1 . 1 90 90 PRO HG3 H 1 1.948 0.020 . 2 . . . . A 173 PRO HG3 . 34813 1 778 . 1 . 1 90 90 PRO HD2 H 1 3.544 0.020 . 2 . . . . A 173 PRO HD2 . 34813 1 779 . 1 . 1 90 90 PRO HD3 H 1 3.693 0.020 . 2 . . . . A 173 PRO HD3 . 34813 1 780 . 1 . 1 90 90 PRO CA C 13 63.027 0.400 . 1 . . . . A 173 PRO CA . 34813 1 781 . 1 . 1 90 90 PRO CB C 13 31.995 0.400 . 1 . . . . A 173 PRO CB . 34813 1 782 . 1 . 1 90 90 PRO CG C 13 27.374 0.400 . 1 . . . . A 173 PRO CG . 34813 1 783 . 1 . 1 90 90 PRO CD C 13 50.373 0.400 . 1 . . . . A 173 PRO CD . 34813 1 784 . 1 . 1 91 91 SER H H 1 8.300 0.020 . 1 . . . . A 174 SER H . 34813 1 785 . 1 . 1 91 91 SER HA H 1 4.326 0.020 . 1 . . . . A 174 SER HA . 34813 1 786 . 1 . 1 91 91 SER HB2 H 1 3.761 0.020 . 2 . . . . A 174 SER HB2 . 34813 1 787 . 1 . 1 91 91 SER HB3 H 1 3.761 0.020 . 2 . . . . A 174 SER HB3 . 34813 1 788 . 1 . 1 91 91 SER CA C 13 58.675 0.400 . 1 . . . . A 174 SER CA . 34813 1 789 . 1 . 1 91 91 SER CB C 13 64.265 0.400 . 1 . . . . A 174 SER CB . 34813 1 790 . 1 . 1 91 91 SER N N 15 116.610 0.400 . 1 . . . . A 174 SER N . 34813 1 791 . 1 . 1 92 92 GLY H H 1 8.257 0.020 . 1 . . . . A 175 GLY H . 34813 1 792 . 1 . 1 92 92 GLY HA2 H 1 3.826 0.020 . 2 . . . . A 175 GLY HA2 . 34813 1 793 . 1 . 1 92 92 GLY HA3 H 1 3.826 0.020 . 2 . . . . A 175 GLY HA3 . 34813 1 794 . 1 . 1 92 92 GLY CA C 13 45.506 0.400 . 1 . . . . A 175 GLY CA . 34813 1 795 . 1 . 1 92 92 GLY N N 15 111.092 0.400 . 1 . . . . A 175 GLY N . 34813 1 796 . 1 . 1 93 93 GLY H H 1 7.981 0.020 . 1 . . . . A 176 GLY H . 34813 1 797 . 1 . 1 93 93 GLY HA2 H 1 3.828 0.020 . 2 . . . . A 176 GLY HA2 . 34813 1 798 . 1 . 1 93 93 GLY HA3 H 1 3.743 0.020 . 2 . . . . A 176 GLY HA3 . 34813 1 799 . 1 . 1 93 93 GLY CA C 13 44.865 0.400 . 1 . . . . A 176 GLY CA . 34813 1 800 . 1 . 1 93 93 GLY N N 15 108.650 0.400 . 1 . . . . A 176 GLY N . 34813 1 801 . 1 . 1 94 94 ASP H H 1 7.543 0.020 . 1 . . . . A 177 ASP H . 34813 1 802 . 1 . 1 94 94 ASP HA H 1 4.759 0.020 . 1 . . . . A 177 ASP HA . 34813 1 803 . 1 . 1 94 94 ASP HB2 H 1 2.612 0.020 . 2 . . . . A 177 ASP HB2 . 34813 1 804 . 1 . 1 94 94 ASP HB3 H 1 2.429 0.020 . 2 . . . . A 177 ASP HB3 . 34813 1 805 . 1 . 1 94 94 ASP CA C 13 51.684 0.400 . 1 . . . . A 177 ASP CA . 34813 1 806 . 1 . 1 94 94 ASP CB C 13 41.245 0.400 . 1 . . . . A 177 ASP CB . 34813 1 807 . 1 . 1 94 94 ASP N N 15 120.089 0.400 . 1 . . . . A 177 ASP N . 34813 1 808 . 1 . 1 95 95 PRO HA H 1 4.205 0.020 . 1 . . . . A 178 PRO HA . 34813 1 809 . 1 . 1 95 95 PRO HB2 H 1 2.124 0.020 . 2 . . . . A 178 PRO HB2 . 34813 1 810 . 1 . 1 95 95 PRO HB3 H 1 1.795 0.020 . 2 . . . . A 178 PRO HB3 . 34813 1 811 . 1 . 1 95 95 PRO HG2 H 1 1.920 0.020 . 2 . . . . A 178 PRO HG2 . 34813 1 812 . 1 . 1 95 95 PRO HG3 H 1 1.920 0.020 . 2 . . . . A 178 PRO HG3 . 34813 1 813 . 1 . 1 95 95 PRO HD2 H 1 3.782 0.020 . 2 . . . . A 178 PRO HD2 . 34813 1 814 . 1 . 1 95 95 PRO HD3 H 1 3.686 0.020 . 2 . . . . A 178 PRO HD3 . 34813 1 815 . 1 . 1 95 95 PRO CA C 13 63.558 0.400 . 1 . . . . A 178 PRO CA . 34813 1 816 . 1 . 1 95 95 PRO CB C 13 31.838 0.400 . 1 . . . . A 178 PRO CB . 34813 1 817 . 1 . 1 95 95 PRO CG C 13 27.168 0.400 . 1 . . . . A 178 PRO CG . 34813 1 818 . 1 . 1 95 95 PRO CD C 13 50.690 0.400 . 1 . . . . A 178 PRO CD . 34813 1 819 . 1 . 1 96 96 ALA H H 1 8.209 0.020 . 1 . . . . A 179 ALA H . 34813 1 820 . 1 . 1 96 96 ALA HA H 1 4.066 0.020 . 1 . . . . A 179 ALA HA . 34813 1 821 . 1 . 1 96 96 ALA HB1 H 1 1.220 0.020 . 1 . . . . A 179 ALA HB1 . 34813 1 822 . 1 . 1 96 96 ALA HB2 H 1 1.220 0.020 . 1 . . . . A 179 ALA HB2 . 34813 1 823 . 1 . 1 96 96 ALA HB3 H 1 1.220 0.020 . 1 . . . . A 179 ALA HB3 . 34813 1 824 . 1 . 1 96 96 ALA CA C 13 52.947 0.400 . 1 . . . . A 179 ALA CA . 34813 1 825 . 1 . 1 96 96 ALA CB C 13 18.871 0.400 . 1 . . . . A 179 ALA CB . 34813 1 826 . 1 . 1 96 96 ALA N N 15 123.208 0.400 . 1 . . . . A 179 ALA N . 34813 1 827 . 1 . 1 97 97 PHE H H 1 7.759 0.020 . 1 . . . . A 180 PHE H . 34813 1 828 . 1 . 1 97 97 PHE HA H 1 4.448 0.020 . 1 . . . . A 180 PHE HA . 34813 1 829 . 1 . 1 97 97 PHE HB2 H 1 3.021 0.020 . 2 . . . . A 180 PHE HB2 . 34813 1 830 . 1 . 1 97 97 PHE HB3 H 1 2.979 0.020 . 2 . . . . A 180 PHE HB3 . 34813 1 831 . 1 . 1 97 97 PHE HD1 H 1 7.111 0.020 . 3 . . . . A 180 PHE HD1 . 34813 1 832 . 1 . 1 97 97 PHE HD2 H 1 7.111 0.020 . 3 . . . . A 180 PHE HD2 . 34813 1 833 . 1 . 1 97 97 PHE CA C 13 57.754 0.400 . 1 . . . . A 180 PHE CA . 34813 1 834 . 1 . 1 97 97 PHE CB C 13 39.294 0.400 . 1 . . . . A 180 PHE CB . 34813 1 835 . 1 . 1 97 97 PHE N N 15 118.612 0.400 . 1 . . . . A 180 PHE N . 34813 1 836 . 1 . 1 98 98 LEU H H 1 7.675 0.020 . 1 . . . . A 181 LEU H . 34813 1 837 . 1 . 1 98 98 LEU HA H 1 4.186 0.020 . 1 . . . . A 181 LEU HA . 34813 1 838 . 1 . 1 98 98 LEU HB2 H 1 1.481 0.020 . 2 . . . . A 181 LEU HB2 . 34813 1 839 . 1 . 1 98 98 LEU HB3 H 1 1.209 0.020 . 2 . . . . A 181 LEU HB3 . 34813 1 840 . 1 . 1 98 98 LEU HG H 1 1.481 0.020 . 1 . . . . A 181 LEU HG . 34813 1 841 . 1 . 1 98 98 LEU HD11 H 1 0.738 0.020 . 2 . . . . A 181 LEU HD11 . 34813 1 842 . 1 . 1 98 98 LEU HD12 H 1 0.738 0.020 . 2 . . . . A 181 LEU HD12 . 34813 1 843 . 1 . 1 98 98 LEU HD13 H 1 0.738 0.020 . 2 . . . . A 181 LEU HD13 . 34813 1 844 . 1 . 1 98 98 LEU HD21 H 1 0.760 0.020 . 2 . . . . A 181 LEU HD21 . 34813 1 845 . 1 . 1 98 98 LEU HD22 H 1 0.760 0.020 . 2 . . . . A 181 LEU HD22 . 34813 1 846 . 1 . 1 98 98 LEU HD23 H 1 0.760 0.020 . 2 . . . . A 181 LEU HD23 . 34813 1 847 . 1 . 1 98 98 LEU CA C 13 54.504 0.400 . 1 . . . . A 181 LEU CA . 34813 1 848 . 1 . 1 98 98 LEU CB C 13 42.043 0.400 . 1 . . . . A 181 LEU CB . 34813 1 849 . 1 . 1 98 98 LEU CG C 13 26.636 0.400 . 1 . . . . A 181 LEU CG . 34813 1 850 . 1 . 1 98 98 LEU CD1 C 13 25.674 0.400 . 1 . . . . A 181 LEU CD1 . 34813 1 851 . 1 . 1 98 98 LEU CD2 C 13 22.660 0.400 . 1 . . . . A 181 LEU CD2 . 34813 1 852 . 1 . 1 98 98 LEU N N 15 122.895 0.400 . 1 . . . . A 181 LEU N . 34813 1 853 . 1 . 1 99 99 GLY H H 1 7.672 0.020 . 1 . . . . A 182 GLY H . 34813 1 854 . 1 . 1 99 99 GLY HA2 H 1 4.085 0.020 . 2 . . . . A 182 GLY HA2 . 34813 1 855 . 1 . 1 99 99 GLY HA3 H 1 4.110 0.020 . 2 . . . . A 182 GLY HA3 . 34813 1 856 . 1 . 1 99 99 GLY CA C 13 44.400 0.400 . 1 . . . . A 182 GLY CA . 34813 1 857 . 1 . 1 99 99 GLY N N 15 107.061 0.400 . 1 . . . . A 182 GLY N . 34813 1 858 . 1 . 1 100 100 MET H H 1 8.445 0.020 . 1 . . . . A 183 MET H . 34813 1 859 . 1 . 1 100 100 MET HA H 1 3.810 0.020 . 1 . . . . A 183 MET HA . 34813 1 860 . 1 . 1 100 100 MET HB2 H 1 0.850 0.020 . 2 . . . . A 183 MET HB2 . 34813 1 861 . 1 . 1 100 100 MET HB3 H 1 1.304 0.020 . 2 . . . . A 183 MET HB3 . 34813 1 862 . 1 . 1 100 100 MET HG2 H 1 2.154 0.020 . 2 . . . . A 183 MET HG2 . 34813 1 863 . 1 . 1 100 100 MET HG3 H 1 2.170 0.020 . 2 . . . . A 183 MET HG3 . 34813 1 864 . 1 . 1 100 100 MET HE1 H 1 1.924 0.020 . 1 . . . . A 183 MET HE1 . 34813 1 865 . 1 . 1 100 100 MET HE2 H 1 1.924 0.020 . 1 . . . . A 183 MET HE2 . 34813 1 866 . 1 . 1 100 100 MET HE3 H 1 1.924 0.020 . 1 . . . . A 183 MET HE3 . 34813 1 867 . 1 . 1 100 100 MET CA C 13 58.907 0.400 . 1 . . . . A 183 MET CA . 34813 1 868 . 1 . 1 100 100 MET CB C 13 31.076 0.400 . 1 . . . . A 183 MET CB . 34813 1 869 . 1 . 1 100 100 MET CG C 13 32.503 0.400 . 1 . . . . A 183 MET CG . 34813 1 870 . 1 . 1 100 100 MET CE C 13 17.486 0.400 . 1 . . . . A 183 MET CE . 34813 1 871 . 1 . 1 100 100 MET N N 15 119.886 0.400 . 1 . . . . A 183 MET N . 34813 1 872 . 1 . 1 101 101 ALA H H 1 8.554 0.020 . 1 . . . . A 184 ALA H . 34813 1 873 . 1 . 1 101 101 ALA HA H 1 4.325 0.020 . 1 . . . . A 184 ALA HA . 34813 1 874 . 1 . 1 101 101 ALA HB1 H 1 1.439 0.020 . 1 . . . . A 184 ALA HB1 . 34813 1 875 . 1 . 1 101 101 ALA HB2 H 1 1.439 0.020 . 1 . . . . A 184 ALA HB2 . 34813 1 876 . 1 . 1 101 101 ALA HB3 H 1 1.439 0.020 . 1 . . . . A 184 ALA HB3 . 34813 1 877 . 1 . 1 101 101 ALA CA C 13 55.559 0.400 . 1 . . . . A 184 ALA CA . 34813 1 878 . 1 . 1 101 101 ALA CB C 13 18.805 0.400 . 1 . . . . A 184 ALA CB . 34813 1 879 . 1 . 1 101 101 ALA N N 15 122.882 0.400 . 1 . . . . A 184 ALA N . 34813 1 880 . 1 . 1 102 102 VAL H H 1 8.138 0.020 . 1 . . . . A 185 VAL H . 34813 1 881 . 1 . 1 102 102 VAL HA H 1 3.245 0.020 . 1 . . . . A 185 VAL HA . 34813 1 882 . 1 . 1 102 102 VAL HB H 1 1.785 0.020 . 1 . . . . A 185 VAL HB . 34813 1 883 . 1 . 1 102 102 VAL HG11 H 1 0.948 0.020 . 2 . . . . A 185 VAL HG11 . 34813 1 884 . 1 . 1 102 102 VAL HG12 H 1 0.948 0.020 . 2 . . . . A 185 VAL HG12 . 34813 1 885 . 1 . 1 102 102 VAL HG13 H 1 0.948 0.020 . 2 . . . . A 185 VAL HG13 . 34813 1 886 . 1 . 1 102 102 VAL CA C 13 67.062 0.400 . 1 . . . . A 185 VAL CA . 34813 1 887 . 1 . 1 102 102 VAL CB C 13 30.765 0.400 . 1 . . . . A 185 VAL CB . 34813 1 888 . 1 . 1 102 102 VAL CG1 C 13 23.269 0.400 . 1 . . . . A 185 VAL CG1 . 34813 1 889 . 1 . 1 102 102 VAL N N 15 118.665 0.400 . 1 . . . . A 185 VAL N . 34813 1 890 . 1 . 1 103 103 SER H H 1 8.040 0.020 . 1 . . . . A 186 SER H . 34813 1 891 . 1 . 1 103 103 SER HA H 1 3.655 0.020 . 1 . . . . A 186 SER HA . 34813 1 892 . 1 . 1 103 103 SER N N 15 115.397 0.400 . 1 . . . . A 186 SER N . 34813 1 893 . 1 . 1 104 104 THR H H 1 7.905 0.020 . 1 . . . . A 187 THR H . 34813 1 894 . 1 . 1 104 104 THR HA H 1 3.833 0.020 . 1 . . . . A 187 THR HA . 34813 1 895 . 1 . 1 104 104 THR HB H 1 3.953 0.020 . 1 . . . . A 187 THR HB . 34813 1 896 . 1 . 1 104 104 THR HG21 H 1 0.148 0.020 . 1 . . . . A 187 THR HG21 . 34813 1 897 . 1 . 1 104 104 THR HG22 H 1 0.148 0.020 . 1 . . . . A 187 THR HG22 . 34813 1 898 . 1 . 1 104 104 THR HG23 H 1 0.148 0.020 . 1 . . . . A 187 THR HG23 . 34813 1 899 . 1 . 1 104 104 THR CA C 13 66.474 0.400 . 1 . . . . A 187 THR CA . 34813 1 900 . 1 . 1 104 104 THR CB C 13 68.329 0.400 . 1 . . . . A 187 THR CB . 34813 1 901 . 1 . 1 104 104 THR CG2 C 13 21.990 0.400 . 1 . . . . A 187 THR CG2 . 34813 1 902 . 1 . 1 104 104 THR N N 15 120.243 0.400 . 1 . . . . A 187 THR N . 34813 1 903 . 1 . 1 105 105 LEU H H 1 7.751 0.020 . 1 . . . . A 188 LEU H . 34813 1 904 . 1 . 1 105 105 LEU HA H 1 3.828 0.020 . 1 . . . . A 188 LEU HA . 34813 1 905 . 1 . 1 105 105 LEU HD11 H 1 0.689 0.020 . 2 . . . . A 188 LEU HD11 . 34813 1 906 . 1 . 1 105 105 LEU HD12 H 1 0.689 0.020 . 2 . . . . A 188 LEU HD12 . 34813 1 907 . 1 . 1 105 105 LEU HD13 H 1 0.689 0.020 . 2 . . . . A 188 LEU HD13 . 34813 1 908 . 1 . 1 105 105 LEU HD21 H 1 0.557 0.020 . 2 . . . . A 188 LEU HD21 . 34813 1 909 . 1 . 1 105 105 LEU HD22 H 1 0.557 0.020 . 2 . . . . A 188 LEU HD22 . 34813 1 910 . 1 . 1 105 105 LEU HD23 H 1 0.557 0.020 . 2 . . . . A 188 LEU HD23 . 34813 1 911 . 1 . 1 105 105 LEU CA C 13 58.837 0.400 . 1 . . . . A 188 LEU CA . 34813 1 912 . 1 . 1 105 105 LEU CB C 13 41.490 0.400 . 1 . . . . A 188 LEU CB . 34813 1 913 . 1 . 1 105 105 LEU CD1 C 13 23.111 0.400 . 1 . . . . A 188 LEU CD1 . 34813 1 914 . 1 . 1 105 105 LEU CD2 C 13 25.910 0.400 . 1 . . . . A 188 LEU CD2 . 34813 1 915 . 1 . 1 105 105 LEU N N 15 122.630 0.400 . 1 . . . . A 188 LEU N . 34813 1 916 . 1 . 1 106 106 CYS H H 1 8.105 0.020 . 1 . . . . A 189 CYS H . 34813 1 917 . 1 . 1 106 106 CYS HA H 1 4.344 0.020 . 1 . . . . A 189 CYS HA . 34813 1 918 . 1 . 1 106 106 CYS HB2 H 1 3.016 0.020 . 2 . . . . A 189 CYS HB2 . 34813 1 919 . 1 . 1 106 106 CYS HB3 H 1 3.016 0.020 . 2 . . . . A 189 CYS HB3 . 34813 1 920 . 1 . 1 106 106 CYS CA C 13 54.697 0.400 . 1 . . . . A 189 CYS CA . 34813 1 921 . 1 . 1 106 106 CYS CB C 13 41.268 0.400 . 1 . . . . A 189 CYS CB . 34813 1 922 . 1 . 1 106 106 CYS N N 15 111.216 0.400 . 1 . . . . A 189 CYS N . 34813 1 923 . 1 . 1 107 107 GLY H H 1 7.287 0.020 . 1 . . . . A 190 GLY H . 34813 1 924 . 1 . 1 107 107 GLY HA2 H 1 3.680 0.020 . 2 . . . . A 190 GLY HA2 . 34813 1 925 . 1 . 1 107 107 GLY HA3 H 1 3.560 0.020 . 2 . . . . A 190 GLY HA3 . 34813 1 926 . 1 . 1 107 107 GLY CA C 13 47.332 0.400 . 1 . . . . A 190 GLY CA . 34813 1 927 . 1 . 1 107 107 GLY N N 15 109.223 0.400 . 1 . . . . A 190 GLY N . 34813 1 928 . 1 . 1 108 108 GLU H H 1 8.492 0.020 . 1 . . . . A 191 GLU H . 34813 1 929 . 1 . 1 108 108 GLU HA H 1 3.729 0.020 . 1 . . . . A 191 GLU HA . 34813 1 930 . 1 . 1 108 108 GLU HB2 H 1 2.284 0.020 . 2 . . . . A 191 GLU HB2 . 34813 1 931 . 1 . 1 108 108 GLU HB3 H 1 2.186 0.020 . 2 . . . . A 191 GLU HB3 . 34813 1 932 . 1 . 1 108 108 GLU CA C 13 58.772 0.400 . 1 . . . . A 191 GLU CA . 34813 1 933 . 1 . 1 108 108 GLU CB C 13 27.877 0.400 . 1 . . . . A 191 GLU CB . 34813 1 934 . 1 . 1 108 108 GLU N N 15 114.747 0.400 . 1 . . . . A 191 GLU N . 34813 1 935 . 1 . 1 109 109 VAL H H 1 7.490 0.020 . 1 . . . . A 192 VAL H . 34813 1 936 . 1 . 1 109 109 VAL HA H 1 4.825 0.020 . 1 . . . . A 192 VAL HA . 34813 1 937 . 1 . 1 109 109 VAL HB H 1 2.149 0.020 . 1 . . . . A 192 VAL HB . 34813 1 938 . 1 . 1 109 109 VAL HG11 H 1 0.627 0.020 . 2 . . . . A 192 VAL HG11 . 34813 1 939 . 1 . 1 109 109 VAL HG12 H 1 0.627 0.020 . 2 . . . . A 192 VAL HG12 . 34813 1 940 . 1 . 1 109 109 VAL HG13 H 1 0.627 0.020 . 2 . . . . A 192 VAL HG13 . 34813 1 941 . 1 . 1 109 109 VAL HG21 H 1 0.641 0.020 . 2 . . . . A 192 VAL HG21 . 34813 1 942 . 1 . 1 109 109 VAL HG22 H 1 0.641 0.020 . 2 . . . . A 192 VAL HG22 . 34813 1 943 . 1 . 1 109 109 VAL HG23 H 1 0.641 0.020 . 2 . . . . A 192 VAL HG23 . 34813 1 944 . 1 . 1 109 109 VAL CA C 13 58.023 0.400 . 1 . . . . A 192 VAL CA . 34813 1 945 . 1 . 1 109 109 VAL CB C 13 32.212 0.400 . 1 . . . . A 192 VAL CB . 34813 1 946 . 1 . 1 109 109 VAL CG1 C 13 19.191 0.400 . 1 . . . . A 192 VAL CG1 . 34813 1 947 . 1 . 1 109 109 VAL CG2 C 13 21.641 0.400 . 1 . . . . A 192 VAL CG2 . 34813 1 948 . 1 . 1 109 109 VAL N N 15 112.837 0.400 . 1 . . . . A 192 VAL N . 34813 1 949 . 1 . 1 110 110 PRO HA H 1 4.195 0.020 . 1 . . . . A 193 PRO HA . 34813 1 950 . 1 . 1 110 110 PRO CA C 13 62.654 0.400 . 1 . . . . A 193 PRO CA . 34813 1 951 . 1 . 1 110 110 PRO CB C 13 32.348 0.400 . 1 . . . . A 193 PRO CB . 34813 1 952 . 1 . 1 111 111 LEU H H 1 7.594 0.020 . 1 . . . . A 194 LEU H . 34813 1 953 . 1 . 1 111 111 LEU HA H 1 4.580 0.020 . 1 . . . . A 194 LEU HA . 34813 1 954 . 1 . 1 111 111 LEU HG H 1 1.529 0.020 . 1 . . . . A 194 LEU HG . 34813 1 955 . 1 . 1 111 111 LEU HD11 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD11 . 34813 1 956 . 1 . 1 111 111 LEU HD12 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD12 . 34813 1 957 . 1 . 1 111 111 LEU HD13 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD13 . 34813 1 958 . 1 . 1 111 111 LEU HD21 H 1 0.618 0.020 . 2 . . . . A 194 LEU HD21 . 34813 1 959 . 1 . 1 111 111 LEU HD22 H 1 0.618 0.020 . 2 . . . . A 194 LEU HD22 . 34813 1 960 . 1 . 1 111 111 LEU HD23 H 1 0.618 0.020 . 2 . . . . A 194 LEU HD23 . 34813 1 961 . 1 . 1 111 111 LEU CA C 13 53.342 0.400 . 1 . . . . A 194 LEU CA . 34813 1 962 . 1 . 1 111 111 LEU CB C 13 43.578 0.400 . 1 . . . . A 194 LEU CB . 34813 1 963 . 1 . 1 111 111 LEU CG C 13 27.312 0.400 . 1 . . . . A 194 LEU CG . 34813 1 964 . 1 . 1 111 111 LEU CD1 C 13 25.926 0.400 . 1 . . . . A 194 LEU CD1 . 34813 1 965 . 1 . 1 111 111 LEU CD2 C 13 24.934 0.400 . 1 . . . . A 194 LEU CD2 . 34813 1 966 . 1 . 1 111 111 LEU N N 15 119.046 0.400 . 1 . . . . A 194 LEU N . 34813 1 967 . 1 . 1 112 112 TYR H H 1 8.505 0.020 . 1 . . . . A 195 TYR H . 34813 1 968 . 1 . 1 112 112 TYR HA H 1 4.720 0.020 . 1 . . . . A 195 TYR HA . 34813 1 969 . 1 . 1 112 112 TYR HD1 H 1 7.073 0.020 . 3 . . . . A 195 TYR HD1 . 34813 1 970 . 1 . 1 112 112 TYR HD2 H 1 7.073 0.020 . 3 . . . . A 195 TYR HD2 . 34813 1 971 . 1 . 1 112 112 TYR CA C 13 56.231 0.400 . 1 . . . . A 195 TYR CA . 34813 1 972 . 1 . 1 112 112 TYR CB C 13 40.234 0.400 . 1 . . . . A 195 TYR CB . 34813 1 973 . 1 . 1 112 112 TYR N N 15 122.375 0.400 . 1 . . . . A 195 TYR N . 34813 1 974 . 1 . 1 113 113 TYR H H 1 8.738 0.020 . 1 . . . . A 196 TYR H . 34813 1 975 . 1 . 1 113 113 TYR HA H 1 4.943 0.020 . 1 . . . . A 196 TYR HA . 34813 1 976 . 1 . 1 113 113 TYR HB2 H 1 2.805 0.020 . 2 . . . . A 196 TYR HB2 . 34813 1 977 . 1 . 1 113 113 TYR HB3 H 1 2.977 0.020 . 2 . . . . A 196 TYR HB3 . 34813 1 978 . 1 . 1 113 113 TYR HD1 H 1 6.996 0.020 . 3 . . . . A 196 TYR HD1 . 34813 1 979 . 1 . 1 113 113 TYR HD2 H 1 6.996 0.020 . 3 . . . . A 196 TYR HD2 . 34813 1 980 . 1 . 1 113 113 TYR HE1 H 1 6.544 0.020 . 3 . . . . A 196 TYR HE1 . 34813 1 981 . 1 . 1 113 113 TYR HE2 H 1 6.544 0.020 . 3 . . . . A 196 TYR HE2 . 34813 1 982 . 1 . 1 113 113 TYR CA C 13 58.335 0.400 . 1 . . . . A 196 TYR CA . 34813 1 983 . 1 . 1 113 113 TYR CB C 13 38.248 0.400 . 1 . . . . A 196 TYR CB . 34813 1 984 . 1 . 1 113 113 TYR N N 15 124.840 0.400 . 1 . . . . A 196 TYR N . 34813 1 985 . 1 . 1 114 114 ILE H H 1 8.230 0.020 . 1 . . . . A 197 ILE H . 34813 1 986 . 1 . 1 114 114 ILE HA H 1 4.346 0.020 . 1 . . . . A 197 ILE HA . 34813 1 987 . 1 . 1 114 114 ILE HB H 1 1.959 0.020 . 1 . . . . A 197 ILE HB . 34813 1 988 . 1 . 1 114 114 ILE HG12 H 1 1.144 0.020 . 2 . . . . A 197 ILE HG12 . 34813 1 989 . 1 . 1 114 114 ILE HG13 H 1 1.400 0.020 . 2 . . . . A 197 ILE HG13 . 34813 1 990 . 1 . 1 114 114 ILE HG21 H 1 0.930 0.020 . 1 . . . . A 197 ILE HG21 . 34813 1 991 . 1 . 1 114 114 ILE HG22 H 1 0.930 0.020 . 1 . . . . A 197 ILE HG22 . 34813 1 992 . 1 . 1 114 114 ILE HG23 H 1 0.930 0.020 . 1 . . . . A 197 ILE HG23 . 34813 1 993 . 1 . 1 114 114 ILE HD11 H 1 0.746 0.020 . 1 . . . . A 197 ILE HD11 . 34813 1 994 . 1 . 1 114 114 ILE HD12 H 1 0.746 0.020 . 1 . . . . A 197 ILE HD12 . 34813 1 995 . 1 . 1 114 114 ILE HD13 H 1 0.746 0.020 . 1 . . . . A 197 ILE HD13 . 34813 1 996 . 1 . 1 114 114 ILE CA C 13 61.968 0.400 . 1 . . . . A 197 ILE CA . 34813 1 997 . 1 . 1 114 114 ILE CB C 13 40.425 0.400 . 1 . . . . A 197 ILE CB . 34813 1 998 . 1 . 1 114 114 ILE CG1 C 13 27.401 0.400 . 1 . . . . A 197 ILE CG1 . 34813 1 999 . 1 . 1 114 114 ILE CG2 C 13 18.324 0.400 . 1 . . . . A 197 ILE CG2 . 34813 1 1000 . 1 . 1 114 114 ILE CD1 C 13 13.865 0.400 . 1 . . . . A 197 ILE CD1 . 34813 1 1001 . 1 . 1 114 114 ILE N N 15 127.246 0.400 . 1 . . . . A 197 ILE N . 34813 1 stop_ save_