data_34839 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34839 _Entry.Title ; Structure of the WW domain tandem of PRPF40A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-24 _Entry.Accession_date 2023-07-24 _Entry.Last_release_date 2023-11-13 _Entry.Original_release_date 2023-11-13 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 S. Martinez-Lumbreras S. . . . 34839 2 M. Sattler M. . . . 34839 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alternative Splicing Regulation' . 34839 'Dynamic WW domain tandem' . 34839 'E complex' . 34839 'Proline binding domain' . 34839 SPLICING . 34839 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34839 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 34839 '15N chemical shifts' 105 34839 '1H chemical shifts' 683 34839 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-05-10 2023-07-24 update BMRB 'update entry citation' 34839 1 . . 2024-03-28 2023-07-24 original author 'original release' 34839 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8PXW 'BMRB Entry Tracking System' 34839 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34839 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38719828 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Intramolecular autoinhibition regulates the selectivity of PRPF40A tandem WW domains for proline-rich motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3888 _Citation.Page_last 3888 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Santiago Martinez-Lumbreras . . . . 34839 1 2 Lena Trager . . . . 34839 1 3 'Miriam M.' Mulorz . . . . 34839 1 4 Marco Payr . . . . 34839 1 5 Varvara Dikaya . . . . 34839 1 6 Clara Hipp . . . . 34839 1 7 Julian Konig . . . . 34839 1 8 Michael Sattler . . . . 34839 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34839 _Assembly.ID 1 _Assembly.Name 'Pre-mRNA-processing factor 40 homolog A' _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 . . . . . . 34839 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34839 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGAKSMWTEHKSPDGRTY YYNTETKQSTWEKPDDLKTP AEQLLSKCPWKEYKSDSGKP YYYNSQTKESRWAKPKELED LEGYQNTIVAGSLITKSNL ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11450.689 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fas ligand-associated factor 1' common 34839 1 'Formin-binding protein 11' common 34839 1 'Formin-binding protein 3' common 34839 1 HIP-10 common 34839 1 'Huntingtin yeast partner A' common 34839 1 'Huntingtin-interacting protein 10' common 34839 1 'Huntingtin-interacting protein A' common 34839 1 'Renal carcinoma antigen NY-REN-6' common 34839 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 138 GLY . 34839 1 2 139 ALA . 34839 1 3 140 MET . 34839 1 4 141 GLY . 34839 1 5 142 ALA . 34839 1 6 143 LYS . 34839 1 7 144 SER . 34839 1 8 145 MET . 34839 1 9 146 TRP . 34839 1 10 147 THR . 34839 1 11 148 GLU . 34839 1 12 149 HIS . 34839 1 13 150 LYS . 34839 1 14 151 SER . 34839 1 15 152 PRO . 34839 1 16 153 ASP . 34839 1 17 154 GLY . 34839 1 18 155 ARG . 34839 1 19 156 THR . 34839 1 20 157 TYR . 34839 1 21 158 TYR . 34839 1 22 159 TYR . 34839 1 23 160 ASN . 34839 1 24 161 THR . 34839 1 25 162 GLU . 34839 1 26 163 THR . 34839 1 27 164 LYS . 34839 1 28 165 GLN . 34839 1 29 166 SER . 34839 1 30 167 THR . 34839 1 31 168 TRP . 34839 1 32 169 GLU . 34839 1 33 170 LYS . 34839 1 34 171 PRO . 34839 1 35 172 ASP . 34839 1 36 173 ASP . 34839 1 37 174 LEU . 34839 1 38 175 LYS . 34839 1 39 176 THR . 34839 1 40 177 PRO . 34839 1 41 178 ALA . 34839 1 42 179 GLU . 34839 1 43 180 GLN . 34839 1 44 181 LEU . 34839 1 45 182 LEU . 34839 1 46 183 SER . 34839 1 47 184 LYS . 34839 1 48 185 CYS . 34839 1 49 186 PRO . 34839 1 50 187 TRP . 34839 1 51 188 LYS . 34839 1 52 189 GLU . 34839 1 53 190 TYR . 34839 1 54 191 LYS . 34839 1 55 192 SER . 34839 1 56 193 ASP . 34839 1 57 194 SER . 34839 1 58 195 GLY . 34839 1 59 196 LYS . 34839 1 60 197 PRO . 34839 1 61 198 TYR . 34839 1 62 199 TYR . 34839 1 63 200 TYR . 34839 1 64 201 ASN . 34839 1 65 202 SER . 34839 1 66 203 GLN . 34839 1 67 204 THR . 34839 1 68 205 LYS . 34839 1 69 206 GLU . 34839 1 70 207 SER . 34839 1 71 208 ARG . 34839 1 72 209 TRP . 34839 1 73 210 ALA . 34839 1 74 211 LYS . 34839 1 75 212 PRO . 34839 1 76 213 LYS . 34839 1 77 214 GLU . 34839 1 78 215 LEU . 34839 1 79 216 GLU . 34839 1 80 217 ASP . 34839 1 81 218 LEU . 34839 1 82 219 GLU . 34839 1 83 220 GLY . 34839 1 84 221 TYR . 34839 1 85 222 GLN . 34839 1 86 223 ASN . 34839 1 87 224 THR . 34839 1 88 225 ILE . 34839 1 89 226 VAL . 34839 1 90 227 ALA . 34839 1 91 228 GLY . 34839 1 92 229 SER . 34839 1 93 230 LEU . 34839 1 94 231 ILE . 34839 1 95 232 THR . 34839 1 96 233 LYS . 34839 1 97 234 SER . 34839 1 98 235 ASN . 34839 1 99 236 LEU . 34839 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 34839 1 . ALA 2 2 34839 1 . MET 3 3 34839 1 . GLY 4 4 34839 1 . ALA 5 5 34839 1 . LYS 6 6 34839 1 . SER 7 7 34839 1 . MET 8 8 34839 1 . TRP 9 9 34839 1 . THR 10 10 34839 1 . GLU 11 11 34839 1 . HIS 12 12 34839 1 . LYS 13 13 34839 1 . SER 14 14 34839 1 . PRO 15 15 34839 1 . ASP 16 16 34839 1 . GLY 17 17 34839 1 . ARG 18 18 34839 1 . THR 19 19 34839 1 . TYR 20 20 34839 1 . TYR 21 21 34839 1 . TYR 22 22 34839 1 . ASN 23 23 34839 1 . THR 24 24 34839 1 . GLU 25 25 34839 1 . THR 26 26 34839 1 . LYS 27 27 34839 1 . GLN 28 28 34839 1 . SER 29 29 34839 1 . THR 30 30 34839 1 . TRP 31 31 34839 1 . GLU 32 32 34839 1 . LYS 33 33 34839 1 . PRO 34 34 34839 1 . ASP 35 35 34839 1 . ASP 36 36 34839 1 . LEU 37 37 34839 1 . LYS 38 38 34839 1 . THR 39 39 34839 1 . PRO 40 40 34839 1 . ALA 41 41 34839 1 . GLU 42 42 34839 1 . GLN 43 43 34839 1 . LEU 44 44 34839 1 . LEU 45 45 34839 1 . SER 46 46 34839 1 . LYS 47 47 34839 1 . CYS 48 48 34839 1 . PRO 49 49 34839 1 . TRP 50 50 34839 1 . LYS 51 51 34839 1 . GLU 52 52 34839 1 . TYR 53 53 34839 1 . LYS 54 54 34839 1 . SER 55 55 34839 1 . ASP 56 56 34839 1 . SER 57 57 34839 1 . GLY 58 58 34839 1 . LYS 59 59 34839 1 . PRO 60 60 34839 1 . TYR 61 61 34839 1 . TYR 62 62 34839 1 . TYR 63 63 34839 1 . ASN 64 64 34839 1 . SER 65 65 34839 1 . GLN 66 66 34839 1 . THR 67 67 34839 1 . LYS 68 68 34839 1 . GLU 69 69 34839 1 . SER 70 70 34839 1 . ARG 71 71 34839 1 . TRP 72 72 34839 1 . ALA 73 73 34839 1 . LYS 74 74 34839 1 . PRO 75 75 34839 1 . LYS 76 76 34839 1 . GLU 77 77 34839 1 . LEU 78 78 34839 1 . GLU 79 79 34839 1 . ASP 80 80 34839 1 . LEU 81 81 34839 1 . GLU 82 82 34839 1 . GLY 83 83 34839 1 . TYR 84 84 34839 1 . GLN 85 85 34839 1 . ASN 86 86 34839 1 . THR 87 87 34839 1 . ILE 88 88 34839 1 . VAL 89 89 34839 1 . ALA 90 90 34839 1 . GLY 91 91 34839 1 . SER 92 92 34839 1 . LEU 93 93 34839 1 . ILE 94 94 34839 1 . THR 95 95 34839 1 . LYS 96 96 34839 1 . SER 97 97 34839 1 . ASN 98 98 34839 1 . LEU 99 99 34839 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 34839 _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 . . . . . . . . . . . 'PRPF40A, FBP11, FLAF1, FNBP3, HIP10, HYPA, HSPC225' . 34839 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 34839 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34839 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34839 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '390 uM [U-100% 13C; U-100% 15N] PRPF40A, 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 PRPF40A '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 390 . . uM . . . . 34839 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34839 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '390 uM [U-100% 13C; U-100% 15N] PRPF40A, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PRPF40A '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 390 . . uM . . . . 34839 2 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 34839 _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' 133 . mM 34839 1 pH 6.5 . pH 34839 1 pressure 1 . atm 34839 1 temperature 298 . K 34839 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34839 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34839 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34839 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34839 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34839 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34839 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34839 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34839 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34839 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34839 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34839 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34839 4 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 34839 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34839 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 34839 _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 III' . 600 . . . 34839 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 500 . . . 34839 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 34839 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34839 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34839 1 10 '2D HBCBCGCDHD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34839 1 11 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34839 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34839 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34839 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 34839 _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 . . . . . 34839 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34839 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34839 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 34839 _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 '2D 1H-15N HSQC' . . . 34839 1 2 '3D CBCA(CO)NH' . . . 34839 1 3 '3D HNCACB' . . . 34839 1 4 '3D HNCO' . . . 34839 1 5 '3D HN(CA)CO' . . . 34839 1 6 '3D H(CCO)NH' . . . 34839 1 7 '3D 1H-15N NOESY' . . . 34839 1 8 '2D 1H-13C HSQC aliphatic' . . . 34839 1 9 '2D 1H-13C HSQC aromatic' . . . 34839 1 10 '2D HBCBCGCDHD' . . . 34839 1 11 '2D HBCBCGCDCEHE' . . . 34839 1 12 '3D HCCH-TOCSY' . . . 34839 1 13 '3D 1H-13C NOESY' . . . 34839 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.784 0.000 . 2 . . . . A 138 GLY HA2 . 34839 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.784 0.000 . 2 . . . . A 138 GLY HA3 . 34839 1 3 . 1 . 1 1 1 GLY CA C 13 42.897 0.000 . 1 . . . . A 138 GLY CA . 34839 1 4 . 1 . 1 2 2 ALA HA H 1 4.305 0.000 . 1 . . . . A 139 ALA HA . 34839 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.340 0.000 . 1 . . . . A 139 ALA HB1 . 34839 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.340 0.000 . 1 . . . . A 139 ALA HB2 . 34839 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.340 0.000 . 1 . . . . A 139 ALA HB3 . 34839 1 8 . 1 . 1 2 2 ALA C C 13 177.472 0.003 . 1 . . . . A 139 ALA C . 34839 1 9 . 1 . 1 2 2 ALA CA C 13 52.311 0.038 . 1 . . . . A 139 ALA CA . 34839 1 10 . 1 . 1 2 2 ALA CB C 13 19.109 0.012 . 1 . . . . A 139 ALA CB . 34839 1 11 . 1 . 1 3 3 MET H H 1 8.499 0.000 . 1 . . . . A 140 MET H . 34839 1 12 . 1 . 1 3 3 MET HA H 1 4.421 0.000 . 1 . . . . A 140 MET HA . 34839 1 13 . 1 . 1 3 3 MET HB2 H 1 2.053 0.000 . 2 . . . . A 140 MET HB2 . 34839 1 14 . 1 . 1 3 3 MET HB3 H 1 1.981 0.000 . 2 . . . . A 140 MET HB3 . 34839 1 15 . 1 . 1 3 3 MET HG2 H 1 2.570 0.000 . 2 . . . . A 140 MET HG2 . 34839 1 16 . 1 . 1 3 3 MET HG3 H 1 2.506 0.000 . 2 . . . . A 140 MET HG3 . 34839 1 17 . 1 . 1 3 3 MET HE1 H 1 2.032 0.000 . 1 . . . . A 140 MET HE1 . 34839 1 18 . 1 . 1 3 3 MET HE2 H 1 2.032 0.000 . 1 . . . . A 140 MET HE2 . 34839 1 19 . 1 . 1 3 3 MET HE3 H 1 2.032 0.000 . 1 . . . . A 140 MET HE3 . 34839 1 20 . 1 . 1 3 3 MET C C 13 176.412 0.003 . 1 . . . . A 140 MET C . 34839 1 21 . 1 . 1 3 3 MET CA C 13 55.430 0.047 . 1 . . . . A 140 MET CA . 34839 1 22 . 1 . 1 3 3 MET CB C 13 32.438 0.028 . 1 . . . . A 140 MET CB . 34839 1 23 . 1 . 1 3 3 MET CG C 13 31.807 0.000 . 1 . . . . A 140 MET CG . 34839 1 24 . 1 . 1 3 3 MET CE C 13 16.664 0.000 . 1 . . . . A 140 MET CE . 34839 1 25 . 1 . 1 3 3 MET N N 15 119.903 0.005 . 1 . . . . A 140 MET N . 34839 1 26 . 1 . 1 4 4 GLY H H 1 8.382 0.001 . 1 . . . . A 141 GLY H . 34839 1 27 . 1 . 1 4 4 GLY HA2 H 1 3.893 0.000 . 2 . . . . A 141 GLY HA2 . 34839 1 28 . 1 . 1 4 4 GLY HA3 H 1 3.893 0.000 . 2 . . . . A 141 GLY HA3 . 34839 1 29 . 1 . 1 4 4 GLY C C 13 173.494 0.003 . 1 . . . . A 141 GLY C . 34839 1 30 . 1 . 1 4 4 GLY CA C 13 45.025 0.052 . 1 . . . . A 141 GLY CA . 34839 1 31 . 1 . 1 4 4 GLY N N 15 110.429 0.005 . 1 . . . . A 141 GLY N . 34839 1 32 . 1 . 1 5 5 ALA H H 1 8.098 0.001 . 1 . . . . A 142 ALA H . 34839 1 33 . 1 . 1 5 5 ALA HA H 1 4.255 0.000 . 1 . . . . A 142 ALA HA . 34839 1 34 . 1 . 1 5 5 ALA HB1 H 1 1.340 0.000 . 1 . . . . A 142 ALA HB1 . 34839 1 35 . 1 . 1 5 5 ALA HB2 H 1 1.340 0.000 . 1 . . . . A 142 ALA HB2 . 34839 1 36 . 1 . 1 5 5 ALA HB3 H 1 1.340 0.000 . 1 . . . . A 142 ALA HB3 . 34839 1 37 . 1 . 1 5 5 ALA C C 13 177.433 0.008 . 1 . . . . A 142 ALA C . 34839 1 38 . 1 . 1 5 5 ALA CA C 13 52.366 0.028 . 1 . . . . A 142 ALA CA . 34839 1 39 . 1 . 1 5 5 ALA CB C 13 19.140 0.030 . 1 . . . . A 142 ALA CB . 34839 1 40 . 1 . 1 5 5 ALA N N 15 123.919 0.003 . 1 . . . . A 142 ALA N . 34839 1 41 . 1 . 1 6 6 LYS H H 1 8.267 0.001 . 1 . . . . A 143 LYS H . 34839 1 42 . 1 . 1 6 6 LYS HA H 1 4.275 0.000 . 1 . . . . A 143 LYS HA . 34839 1 43 . 1 . 1 6 6 LYS HB2 H 1 1.789 0.000 . 2 . . . . A 143 LYS HB2 . 34839 1 44 . 1 . 1 6 6 LYS HB3 H 1 1.703 0.000 . 2 . . . . A 143 LYS HB3 . 34839 1 45 . 1 . 1 6 6 LYS HG2 H 1 1.377 0.000 . 2 . . . . A 143 LYS HG2 . 34839 1 46 . 1 . 1 6 6 LYS HG3 H 1 1.377 0.000 . 2 . . . . A 143 LYS HG3 . 34839 1 47 . 1 . 1 6 6 LYS HD2 H 1 1.628 0.000 . 2 . . . . A 143 LYS HD2 . 34839 1 48 . 1 . 1 6 6 LYS HD3 H 1 1.628 0.000 . 2 . . . . A 143 LYS HD3 . 34839 1 49 . 1 . 1 6 6 LYS HE2 H 1 2.942 0.000 . 2 . . . . A 143 LYS HE2 . 34839 1 50 . 1 . 1 6 6 LYS HE3 H 1 2.942 0.000 . 2 . . . . A 143 LYS HE3 . 34839 1 51 . 1 . 1 6 6 LYS C C 13 176.033 0.004 . 1 . . . . A 143 LYS C . 34839 1 52 . 1 . 1 6 6 LYS CA C 13 56.237 0.037 . 1 . . . . A 143 LYS CA . 34839 1 53 . 1 . 1 6 6 LYS CB C 13 32.840 0.013 . 1 . . . . A 143 LYS CB . 34839 1 54 . 1 . 1 6 6 LYS CG C 13 24.416 0.000 . 1 . . . . A 143 LYS CG . 34839 1 55 . 1 . 1 6 6 LYS CD C 13 28.777 0.000 . 1 . . . . A 143 LYS CD . 34839 1 56 . 1 . 1 6 6 LYS CE C 13 41.708 0.000 . 1 . . . . A 143 LYS CE . 34839 1 57 . 1 . 1 6 6 LYS N N 15 120.250 0.037 . 1 . . . . A 143 LYS N . 34839 1 58 . 1 . 1 7 7 SER H H 1 8.203 0.001 . 1 . . . . A 144 SER H . 34839 1 59 . 1 . 1 7 7 SER HA H 1 4.444 0.000 . 1 . . . . A 144 SER HA . 34839 1 60 . 1 . 1 7 7 SER HB2 H 1 3.917 0.000 . 2 . . . . A 144 SER HB2 . 34839 1 61 . 1 . 1 7 7 SER HB3 H 1 3.812 0.000 . 2 . . . . A 144 SER HB3 . 34839 1 62 . 1 . 1 7 7 SER C C 13 174.727 0.008 . 1 . . . . A 144 SER C . 34839 1 63 . 1 . 1 7 7 SER CA C 13 57.998 0.046 . 1 . . . . A 144 SER CA . 34839 1 64 . 1 . 1 7 7 SER CB C 13 63.749 0.060 . 1 . . . . A 144 SER CB . 34839 1 65 . 1 . 1 7 7 SER N N 15 115.969 0.007 . 1 . . . . A 144 SER N . 34839 1 66 . 1 . 1 8 8 MET H H 1 8.554 0.001 . 1 . . . . A 145 MET H . 34839 1 67 . 1 . 1 8 8 MET HA H 1 4.458 0.000 . 1 . . . . A 145 MET HA . 34839 1 68 . 1 . 1 8 8 MET HB2 H 1 1.970 0.000 . 2 . . . . A 145 MET HB2 . 34839 1 69 . 1 . 1 8 8 MET HB3 H 1 1.773 0.000 . 2 . . . . A 145 MET HB3 . 34839 1 70 . 1 . 1 8 8 MET HG2 H 1 2.477 0.000 . 2 . . . . A 145 MET HG2 . 34839 1 71 . 1 . 1 8 8 MET HG3 H 1 2.299 0.000 . 2 . . . . A 145 MET HG3 . 34839 1 72 . 1 . 1 8 8 MET HE1 H 1 1.965 0.000 . 1 . . . . A 145 MET HE1 . 34839 1 73 . 1 . 1 8 8 MET HE2 H 1 1.965 0.000 . 1 . . . . A 145 MET HE2 . 34839 1 74 . 1 . 1 8 8 MET HE3 H 1 1.965 0.000 . 1 . . . . A 145 MET HE3 . 34839 1 75 . 1 . 1 8 8 MET C C 13 175.024 0.011 . 1 . . . . A 145 MET C . 34839 1 76 . 1 . 1 8 8 MET CA C 13 55.361 0.000 . 1 . . . . A 145 MET CA . 34839 1 77 . 1 . 1 8 8 MET CB C 13 31.645 0.037 . 1 . . . . A 145 MET CB . 34839 1 78 . 1 . 1 8 8 MET CG C 13 32.066 0.004 . 1 . . . . A 145 MET CG . 34839 1 79 . 1 . 1 8 8 MET CE C 13 17.147 0.000 . 1 . . . . A 145 MET CE . 34839 1 80 . 1 . 1 8 8 MET N N 15 123.032 0.007 . 1 . . . . A 145 MET N . 34839 1 81 . 1 . 1 9 9 TRP H H 1 8.154 0.001 . 1 . . . . A 146 TRP H . 34839 1 82 . 1 . 1 9 9 TRP HA H 1 5.265 0.000 . 1 . . . . A 146 TRP HA . 34839 1 83 . 1 . 1 9 9 TRP HB2 H 1 3.119 0.000 . 2 . . . . A 146 TRP HB2 . 34839 1 84 . 1 . 1 9 9 TRP HB3 H 1 2.965 0.000 . 2 . . . . A 146 TRP HB3 . 34839 1 85 . 1 . 1 9 9 TRP HD1 H 1 7.258 0.000 . 1 . . . . A 146 TRP HD1 . 34839 1 86 . 1 . 1 9 9 TRP HE1 H 1 10.403 0.000 . 1 . . . . A 146 TRP HE1 . 34839 1 87 . 1 . 1 9 9 TRP HE3 H 1 7.341 0.000 . 1 . . . . A 146 TRP HE3 . 34839 1 88 . 1 . 1 9 9 TRP HZ2 H 1 7.439 0.000 . 1 . . . . A 146 TRP HZ2 . 34839 1 89 . 1 . 1 9 9 TRP HZ3 H 1 6.915 0.000 . 1 . . . . A 146 TRP HZ3 . 34839 1 90 . 1 . 1 9 9 TRP HH2 H 1 7.005 0.000 . 1 . . . . A 146 TRP HH2 . 34839 1 91 . 1 . 1 9 9 TRP C C 13 176.182 0.005 . 1 . . . . A 146 TRP C . 34839 1 92 . 1 . 1 9 9 TRP CA C 13 56.468 0.060 . 1 . . . . A 146 TRP CA . 34839 1 93 . 1 . 1 9 9 TRP CB C 13 31.475 0.029 . 1 . . . . A 146 TRP CB . 34839 1 94 . 1 . 1 9 9 TRP CD1 C 13 127.621 0.000 . 1 . . . . A 146 TRP CD1 . 34839 1 95 . 1 . 1 9 9 TRP CE3 C 13 120.282 0.000 . 1 . . . . A 146 TRP CE3 . 34839 1 96 . 1 . 1 9 9 TRP CZ2 C 13 114.325 0.000 . 1 . . . . A 146 TRP CZ2 . 34839 1 97 . 1 . 1 9 9 TRP CZ3 C 13 123.107 0.000 . 1 . . . . A 146 TRP CZ3 . 34839 1 98 . 1 . 1 9 9 TRP CH2 C 13 124.415 0.000 . 1 . . . . A 146 TRP CH2 . 34839 1 99 . 1 . 1 9 9 TRP N N 15 119.410 0.005 . 1 . . . . A 146 TRP N . 34839 1 100 . 1 . 1 9 9 TRP NE1 N 15 129.887 0.000 . 1 . . . . A 146 TRP NE1 . 34839 1 101 . 1 . 1 10 10 THR H H 1 9.441 0.003 . 1 . . . . A 147 THR H . 34839 1 102 . 1 . 1 10 10 THR HA H 1 4.730 0.000 . 1 . . . . A 147 THR HA . 34839 1 103 . 1 . 1 10 10 THR HB H 1 4.117 0.000 . 1 . . . . A 147 THR HB . 34839 1 104 . 1 . 1 10 10 THR HG21 H 1 1.189 0.000 . 1 . . . . A 147 THR HG21 . 34839 1 105 . 1 . 1 10 10 THR HG22 H 1 1.189 0.000 . 1 . . . . A 147 THR HG22 . 34839 1 106 . 1 . 1 10 10 THR HG23 H 1 1.189 0.000 . 1 . . . . A 147 THR HG23 . 34839 1 107 . 1 . 1 10 10 THR C C 13 172.554 0.008 . 1 . . . . A 147 THR C . 34839 1 108 . 1 . 1 10 10 THR CA C 13 59.949 0.076 . 1 . . . . A 147 THR CA . 34839 1 109 . 1 . 1 10 10 THR CB C 13 71.412 0.059 . 1 . . . . A 147 THR CB . 34839 1 110 . 1 . 1 10 10 THR CG2 C 13 22.123 0.000 . 1 . . . . A 147 THR CG2 . 34839 1 111 . 1 . 1 10 10 THR N N 15 114.614 0.019 . 1 . . . . A 147 THR N . 34839 1 112 . 1 . 1 11 11 GLU H H 1 8.398 0.001 . 1 . . . . A 148 GLU H . 34839 1 113 . 1 . 1 11 11 GLU HA H 1 4.528 0.000 . 1 . . . . A 148 GLU HA . 34839 1 114 . 1 . 1 11 11 GLU HB2 H 1 1.728 0.000 . 2 . . . . A 148 GLU HB2 . 34839 1 115 . 1 . 1 11 11 GLU HB3 H 1 1.728 0.000 . 2 . . . . A 148 GLU HB3 . 34839 1 116 . 1 . 1 11 11 GLU HG2 H 1 1.870 0.000 . 2 . . . . A 148 GLU HG2 . 34839 1 117 . 1 . 1 11 11 GLU HG3 H 1 1.870 0.000 . 2 . . . . A 148 GLU HG3 . 34839 1 118 . 1 . 1 11 11 GLU C C 13 174.523 0.003 . 1 . . . . A 148 GLU C . 34839 1 119 . 1 . 1 11 11 GLU CA C 13 55.074 0.000 . 1 . . . . A 148 GLU CA . 34839 1 120 . 1 . 1 11 11 GLU CB C 13 32.118 0.020 . 1 . . . . A 148 GLU CB . 34839 1 121 . 1 . 1 11 11 GLU CG C 13 36.588 0.000 . 1 . . . . A 148 GLU CG . 34839 1 122 . 1 . 1 11 11 GLU N N 15 123.242 0.027 . 1 . . . . A 148 GLU N . 34839 1 123 . 1 . 1 12 12 HIS H H 1 8.402 0.002 . 1 . . . . A 149 HIS H . 34839 1 124 . 1 . 1 12 12 HIS HA H 1 4.350 0.000 . 1 . . . . A 149 HIS HA . 34839 1 125 . 1 . 1 12 12 HIS HB2 H 1 2.407 0.000 . 2 . . . . A 149 HIS HB2 . 34839 1 126 . 1 . 1 12 12 HIS HB3 H 1 1.009 0.000 . 2 . . . . A 149 HIS HB3 . 34839 1 127 . 1 . 1 12 12 HIS HD2 H 1 6.392 0.000 . 1 . . . . A 149 HIS HD2 . 34839 1 128 . 1 . 1 12 12 HIS HE1 H 1 7.626 0.000 . 1 . . . . A 149 HIS HE1 . 34839 1 129 . 1 . 1 12 12 HIS C C 13 172.314 0.005 . 1 . . . . A 149 HIS C . 34839 1 130 . 1 . 1 12 12 HIS CA C 13 53.915 0.054 . 1 . . . . A 149 HIS CA . 34839 1 131 . 1 . 1 12 12 HIS CB C 13 33.130 0.064 . 1 . . . . A 149 HIS CB . 34839 1 132 . 1 . 1 12 12 HIS CD2 C 13 121.366 0.000 . 1 . . . . A 149 HIS CD2 . 34839 1 133 . 1 . 1 12 12 HIS CE1 C 13 137.314 0.000 . 1 . . . . A 149 HIS CE1 . 34839 1 134 . 1 . 1 12 12 HIS N N 15 123.401 0.008 . 1 . . . . A 149 HIS N . 34839 1 135 . 1 . 1 13 13 LYS H H 1 8.119 0.016 . 1 . . . . A 150 LYS H . 34839 1 136 . 1 . 1 13 13 LYS HA H 1 5.120 0.000 . 1 . . . . A 150 LYS HA . 34839 1 137 . 1 . 1 13 13 LYS HB2 H 1 1.565 0.000 . 2 . . . . A 150 LYS HB2 . 34839 1 138 . 1 . 1 13 13 LYS HB3 H 1 1.565 0.000 . 2 . . . . A 150 LYS HB3 . 34839 1 139 . 1 . 1 13 13 LYS HG2 H 1 1.284 0.000 . 2 . . . . A 150 LYS HG2 . 34839 1 140 . 1 . 1 13 13 LYS HG3 H 1 1.284 0.000 . 2 . . . . A 150 LYS HG3 . 34839 1 141 . 1 . 1 13 13 LYS HD2 H 1 1.464 0.000 . 2 . . . . A 150 LYS HD2 . 34839 1 142 . 1 . 1 13 13 LYS HD3 H 1 1.464 0.000 . 2 . . . . A 150 LYS HD3 . 34839 1 143 . 1 . 1 13 13 LYS HE2 H 1 2.845 0.000 . 2 . . . . A 150 LYS HE2 . 34839 1 144 . 1 . 1 13 13 LYS HE3 H 1 2.845 0.000 . 2 . . . . A 150 LYS HE3 . 34839 1 145 . 1 . 1 13 13 LYS C C 13 176.760 0.001 . 1 . . . . A 150 LYS C . 34839 1 146 . 1 . 1 13 13 LYS CA C 13 54.187 0.006 . 1 . . . . A 150 LYS CA . 34839 1 147 . 1 . 1 13 13 LYS CB C 13 34.580 0.011 . 1 . . . . A 150 LYS CB . 34839 1 148 . 1 . 1 13 13 LYS CG C 13 24.297 0.000 . 1 . . . . A 150 LYS CG . 34839 1 149 . 1 . 1 13 13 LYS CD C 13 28.845 0.000 . 1 . . . . A 150 LYS CD . 34839 1 150 . 1 . 1 13 13 LYS CE C 13 41.574 0.000 . 1 . . . . A 150 LYS CE . 34839 1 151 . 1 . 1 13 13 LYS N N 15 118.644 0.021 . 1 . . . . A 150 LYS N . 34839 1 152 . 1 . 1 14 14 SER H H 1 9.293 0.004 . 1 . . . . A 151 SER H . 34839 1 153 . 1 . 1 14 14 SER HB2 H 1 4.300 0.000 . 2 . . . . A 151 SER HB2 . 34839 1 154 . 1 . 1 14 14 SER HB3 H 1 4.005 0.000 . 2 . . . . A 151 SER HB3 . 34839 1 155 . 1 . 1 14 14 SER CA C 13 56.863 0.000 . 1 . . . . A 151 SER CA . 34839 1 156 . 1 . 1 14 14 SER CB C 13 62.776 0.076 . 1 . . . . A 151 SER CB . 34839 1 157 . 1 . 1 14 14 SER N N 15 120.487 0.027 . 1 . . . . A 151 SER N . 34839 1 158 . 1 . 1 15 15 PRO HA H 1 4.229 0.000 . 1 . . . . A 152 PRO HA . 34839 1 159 . 1 . 1 15 15 PRO C C 13 176.241 0.000 . 1 . . . . A 152 PRO C . 34839 1 160 . 1 . 1 15 15 PRO CA C 13 65.231 0.000 . 1 . . . . A 152 PRO CA . 34839 1 161 . 1 . 1 16 16 ASP H H 1 7.717 0.003 . 1 . . . . A 153 ASP H . 34839 1 162 . 1 . 1 16 16 ASP HA H 1 4.573 0.000 . 1 . . . . A 153 ASP HA . 34839 1 163 . 1 . 1 16 16 ASP HB2 H 1 2.889 0.000 . 2 . . . . A 153 ASP HB2 . 34839 1 164 . 1 . 1 16 16 ASP HB3 H 1 2.700 0.000 . 2 . . . . A 153 ASP HB3 . 34839 1 165 . 1 . 1 16 16 ASP C C 13 176.221 0.003 . 1 . . . . A 153 ASP C . 34839 1 166 . 1 . 1 16 16 ASP CA C 13 52.999 0.093 . 1 . . . . A 153 ASP CA . 34839 1 167 . 1 . 1 16 16 ASP CB C 13 39.935 0.034 . 1 . . . . A 153 ASP CB . 34839 1 168 . 1 . 1 16 16 ASP N N 15 112.213 0.015 . 1 . . . . A 153 ASP N . 34839 1 169 . 1 . 1 17 17 GLY H H 1 8.260 0.002 . 1 . . . . A 154 GLY H . 34839 1 170 . 1 . 1 17 17 GLY HA2 H 1 4.256 0.000 . 2 . . . . A 154 GLY HA2 . 34839 1 171 . 1 . 1 17 17 GLY HA3 H 1 3.582 0.000 . 2 . . . . A 154 GLY HA3 . 34839 1 172 . 1 . 1 17 17 GLY C C 13 173.956 0.000 . 1 . . . . A 154 GLY C . 34839 1 173 . 1 . 1 17 17 GLY CA C 13 45.129 0.069 . 1 . . . . A 154 GLY CA . 34839 1 174 . 1 . 1 17 17 GLY N N 15 108.200 0.016 . 1 . . . . A 154 GLY N . 34839 1 175 . 1 . 1 18 18 ARG H H 1 7.635 0.002 . 1 . . . . A 155 ARG H . 34839 1 176 . 1 . 1 18 18 ARG HA H 1 4.428 0.000 . 1 . . . . A 155 ARG HA . 34839 1 177 . 1 . 1 18 18 ARG HB2 H 1 1.965 0.000 . 2 . . . . A 155 ARG HB2 . 34839 1 178 . 1 . 1 18 18 ARG HB3 H 1 1.938 0.000 . 2 . . . . A 155 ARG HB3 . 34839 1 179 . 1 . 1 18 18 ARG HG2 H 1 1.572 0.000 . 2 . . . . A 155 ARG HG2 . 34839 1 180 . 1 . 1 18 18 ARG HG3 H 1 1.572 0.000 . 2 . . . . A 155 ARG HG3 . 34839 1 181 . 1 . 1 18 18 ARG HD2 H 1 2.726 0.000 . 2 . . . . A 155 ARG HD2 . 34839 1 182 . 1 . 1 18 18 ARG HD3 H 1 2.683 0.000 . 2 . . . . A 155 ARG HD3 . 34839 1 183 . 1 . 1 18 18 ARG HE H 1 7.132 0.000 . 1 . . . . A 155 ARG HE . 34839 1 184 . 1 . 1 18 18 ARG C C 13 175.387 0.008 . 1 . . . . A 155 ARG C . 34839 1 185 . 1 . 1 18 18 ARG CA C 13 56.183 0.014 . 1 . . . . A 155 ARG CA . 34839 1 186 . 1 . 1 18 18 ARG CB C 13 32.012 0.025 . 1 . . . . A 155 ARG CB . 34839 1 187 . 1 . 1 18 18 ARG CG C 13 26.997 0.000 . 1 . . . . A 155 ARG CG . 34839 1 188 . 1 . 1 18 18 ARG CD C 13 43.231 0.001 . 1 . . . . A 155 ARG CD . 34839 1 189 . 1 . 1 18 18 ARG N N 15 121.221 0.016 . 1 . . . . A 155 ARG N . 34839 1 190 . 1 . 1 18 18 ARG NE N 15 84.609 0.000 . 1 . . . . A 155 ARG NE . 34839 1 191 . 1 . 1 19 19 THR H H 1 8.667 0.002 . 1 . . . . A 156 THR H . 34839 1 192 . 1 . 1 19 19 THR HA H 1 4.903 0.000 . 1 . . . . A 156 THR HA . 34839 1 193 . 1 . 1 19 19 THR HB H 1 3.887 0.000 . 1 . . . . A 156 THR HB . 34839 1 194 . 1 . 1 19 19 THR HG21 H 1 0.824 0.000 . 1 . . . . A 156 THR HG21 . 34839 1 195 . 1 . 1 19 19 THR HG22 H 1 0.824 0.000 . 1 . . . . A 156 THR HG22 . 34839 1 196 . 1 . 1 19 19 THR HG23 H 1 0.824 0.000 . 1 . . . . A 156 THR HG23 . 34839 1 197 . 1 . 1 19 19 THR C C 13 172.880 0.004 . 1 . . . . A 156 THR C . 34839 1 198 . 1 . 1 19 19 THR CA C 13 62.901 0.063 . 1 . . . . A 156 THR CA . 34839 1 199 . 1 . 1 19 19 THR CB C 13 69.998 0.054 . 1 . . . . A 156 THR CB . 34839 1 200 . 1 . 1 19 19 THR CG2 C 13 21.715 0.000 . 1 . . . . A 156 THR CG2 . 34839 1 201 . 1 . 1 19 19 THR N N 15 121.153 0.027 . 1 . . . . A 156 THR N . 34839 1 202 . 1 . 1 20 20 TYR H H 1 8.608 0.002 . 1 . . . . A 157 TYR H . 34839 1 203 . 1 . 1 20 20 TYR HA H 1 4.533 0.000 . 1 . . . . A 157 TYR HA . 34839 1 204 . 1 . 1 20 20 TYR HB2 H 1 2.369 0.000 . 2 . . . . A 157 TYR HB2 . 34839 1 205 . 1 . 1 20 20 TYR HB3 H 1 2.186 0.000 . 2 . . . . A 157 TYR HB3 . 34839 1 206 . 1 . 1 20 20 TYR HD1 H 1 6.695 0.000 . 3 . . . . A 157 TYR HD1 . 34839 1 207 . 1 . 1 20 20 TYR HD2 H 1 6.695 0.000 . 3 . . . . A 157 TYR HD2 . 34839 1 208 . 1 . 1 20 20 TYR HE1 H 1 6.305 0.000 . 3 . . . . A 157 TYR HE1 . 34839 1 209 . 1 . 1 20 20 TYR HE2 H 1 6.305 0.000 . 3 . . . . A 157 TYR HE2 . 34839 1 210 . 1 . 1 20 20 TYR C C 13 170.647 0.009 . 1 . . . . A 157 TYR C . 34839 1 211 . 1 . 1 20 20 TYR CA C 13 55.138 0.032 . 1 . . . . A 157 TYR CA . 34839 1 212 . 1 . 1 20 20 TYR CB C 13 39.232 0.009 . 1 . . . . A 157 TYR CB . 34839 1 213 . 1 . 1 20 20 TYR CD1 C 13 133.412 0.000 . 1 . . . . A 157 TYR CD1 . 34839 1 214 . 1 . 1 20 20 TYR CD2 C 13 133.412 0.000 . 1 . . . . A 157 TYR CD2 . 34839 1 215 . 1 . 1 20 20 TYR CE1 C 13 117.206 0.000 . 1 . . . . A 157 TYR CE1 . 34839 1 216 . 1 . 1 20 20 TYR CE2 C 13 117.206 0.000 . 1 . . . . A 157 TYR CE2 . 34839 1 217 . 1 . 1 20 20 TYR N N 15 122.597 0.016 . 1 . . . . A 157 TYR N . 34839 1 218 . 1 . 1 21 21 TYR H H 1 8.796 0.002 . 1 . . . . A 158 TYR H . 34839 1 219 . 1 . 1 21 21 TYR HA H 1 5.344 0.000 . 1 . . . . A 158 TYR HA . 34839 1 220 . 1 . 1 21 21 TYR HB2 H 1 2.767 0.000 . 2 . . . . A 158 TYR HB2 . 34839 1 221 . 1 . 1 21 21 TYR HB3 H 1 2.634 0.000 . 2 . . . . A 158 TYR HB3 . 34839 1 222 . 1 . 1 21 21 TYR HD1 H 1 6.712 0.000 . 3 . . . . A 158 TYR HD1 . 34839 1 223 . 1 . 1 21 21 TYR HD2 H 1 6.712 0.000 . 3 . . . . A 158 TYR HD2 . 34839 1 224 . 1 . 1 21 21 TYR HE1 H 1 6.620 0.000 . 3 . . . . A 158 TYR HE1 . 34839 1 225 . 1 . 1 21 21 TYR HE2 H 1 6.620 0.000 . 3 . . . . A 158 TYR HE2 . 34839 1 226 . 1 . 1 21 21 TYR C C 13 174.081 0.009 . 1 . . . . A 158 TYR C . 34839 1 227 . 1 . 1 21 21 TYR CA C 13 56.166 0.046 . 1 . . . . A 158 TYR CA . 34839 1 228 . 1 . 1 21 21 TYR CB C 13 40.682 0.022 . 1 . . . . A 158 TYR CB . 34839 1 229 . 1 . 1 21 21 TYR CD1 C 13 133.450 0.000 . 1 . . . . A 158 TYR CD1 . 34839 1 230 . 1 . 1 21 21 TYR CD2 C 13 133.450 0.000 . 1 . . . . A 158 TYR CD2 . 34839 1 231 . 1 . 1 21 21 TYR CE1 C 13 117.209 0.000 . 1 . . . . A 158 TYR CE1 . 34839 1 232 . 1 . 1 21 21 TYR CE2 C 13 117.209 0.000 . 1 . . . . A 158 TYR CE2 . 34839 1 233 . 1 . 1 21 21 TYR N N 15 117.793 0.012 . 1 . . . . A 158 TYR N . 34839 1 234 . 1 . 1 22 22 TYR H H 1 9.391 0.002 . 1 . . . . A 159 TYR H . 34839 1 235 . 1 . 1 22 22 TYR HA H 1 5.546 0.000 . 1 . . . . A 159 TYR HA . 34839 1 236 . 1 . 1 22 22 TYR HB2 H 1 2.769 0.000 . 2 . . . . A 159 TYR HB2 . 34839 1 237 . 1 . 1 22 22 TYR HB3 H 1 2.631 0.000 . 2 . . . . A 159 TYR HB3 . 34839 1 238 . 1 . 1 22 22 TYR HD1 H 1 6.895 0.000 . 3 . . . . A 159 TYR HD1 . 34839 1 239 . 1 . 1 22 22 TYR HD2 H 1 6.895 0.000 . 3 . . . . A 159 TYR HD2 . 34839 1 240 . 1 . 1 22 22 TYR HE1 H 1 6.511 0.000 . 3 . . . . A 159 TYR HE1 . 34839 1 241 . 1 . 1 22 22 TYR HE2 H 1 6.511 0.000 . 3 . . . . A 159 TYR HE2 . 34839 1 242 . 1 . 1 22 22 TYR C C 13 173.042 0.005 . 1 . . . . A 159 TYR C . 34839 1 243 . 1 . 1 22 22 TYR CA C 13 55.925 0.070 . 1 . . . . A 159 TYR CA . 34839 1 244 . 1 . 1 22 22 TYR CB C 13 42.432 0.034 . 1 . . . . A 159 TYR CB . 34839 1 245 . 1 . 1 22 22 TYR CD1 C 13 133.032 0.000 . 1 . . . . A 159 TYR CD1 . 34839 1 246 . 1 . 1 22 22 TYR CD2 C 13 133.032 0.000 . 1 . . . . A 159 TYR CD2 . 34839 1 247 . 1 . 1 22 22 TYR CE1 C 13 117.309 0.000 . 1 . . . . A 159 TYR CE1 . 34839 1 248 . 1 . 1 22 22 TYR CE2 C 13 117.309 0.000 . 1 . . . . A 159 TYR CE2 . 34839 1 249 . 1 . 1 22 22 TYR N N 15 124.246 0.012 . 1 . . . . A 159 TYR N . 34839 1 250 . 1 . 1 23 23 ASN H H 1 8.028 0.002 . 1 . . . . A 160 ASN H . 34839 1 251 . 1 . 1 23 23 ASN HA H 1 4.286 0.000 . 1 . . . . A 160 ASN HA . 34839 1 252 . 1 . 1 23 23 ASN HB2 H 1 2.203 0.000 . 2 . . . . A 160 ASN HB2 . 34839 1 253 . 1 . 1 23 23 ASN HB3 H 1 -0.002 0.000 . 2 . . . . A 160 ASN HB3 . 34839 1 254 . 1 . 1 23 23 ASN HD21 H 1 6.629 0.001 . 1 . . . . A 160 ASN HD21 . 34839 1 255 . 1 . 1 23 23 ASN HD22 H 1 6.629 0.001 . 1 . . . . A 160 ASN HD22 . 34839 1 256 . 1 . 1 23 23 ASN C C 13 174.811 0.000 . 1 . . . . A 160 ASN C . 34839 1 257 . 1 . 1 23 23 ASN CA C 13 51.176 0.046 . 1 . . . . A 160 ASN CA . 34839 1 258 . 1 . 1 23 23 ASN CB C 13 37.878 0.052 . 1 . . . . A 160 ASN CB . 34839 1 259 . 1 . 1 23 23 ASN CG C 13 176.277 0.000 . 1 . . . . A 160 ASN CG . 34839 1 260 . 1 . 1 23 23 ASN N N 15 129.919 0.013 . 1 . . . . A 160 ASN N . 34839 1 261 . 1 . 1 23 23 ASN ND2 N 15 111.490 0.000 . 1 . . . . A 160 ASN ND2 . 34839 1 262 . 1 . 1 24 24 THR H H 1 8.278 0.001 . 1 . . . . A 161 THR H . 34839 1 263 . 1 . 1 24 24 THR HA H 1 3.653 0.000 . 1 . . . . A 161 THR HA . 34839 1 264 . 1 . 1 24 24 THR HB H 1 4.243 0.000 . 1 . . . . A 161 THR HB . 34839 1 265 . 1 . 1 24 24 THR HG21 H 1 1.345 0.000 . 1 . . . . A 161 THR HG21 . 34839 1 266 . 1 . 1 24 24 THR HG22 H 1 1.345 0.000 . 1 . . . . A 161 THR HG22 . 34839 1 267 . 1 . 1 24 24 THR HG23 H 1 1.345 0.000 . 1 . . . . A 161 THR HG23 . 34839 1 268 . 1 . 1 24 24 THR C C 13 174.716 0.035 . 1 . . . . A 161 THR C . 34839 1 269 . 1 . 1 24 24 THR CA C 13 63.916 0.000 . 1 . . . . A 161 THR CA . 34839 1 270 . 1 . 1 24 24 THR CB C 13 68.590 0.037 . 1 . . . . A 161 THR CB . 34839 1 271 . 1 . 1 24 24 THR CG2 C 13 21.879 0.000 . 1 . . . . A 161 THR CG2 . 34839 1 272 . 1 . 1 24 24 THR N N 15 116.418 0.005 . 1 . . . . A 161 THR N . 34839 1 273 . 1 . 1 25 25 GLU H H 1 8.061 0.003 . 1 . . . . A 162 GLU H . 34839 1 274 . 1 . 1 25 25 GLU HA H 1 4.210 0.000 . 1 . . . . A 162 GLU HA . 34839 1 275 . 1 . 1 25 25 GLU HB2 H 1 1.988 0.000 . 2 . . . . A 162 GLU HB2 . 34839 1 276 . 1 . 1 25 25 GLU HB3 H 1 1.963 0.000 . 2 . . . . A 162 GLU HB3 . 34839 1 277 . 1 . 1 25 25 GLU HG2 H 1 2.102 0.000 . 2 . . . . A 162 GLU HG2 . 34839 1 278 . 1 . 1 25 25 GLU HG3 H 1 1.976 0.000 . 2 . . . . A 162 GLU HG3 . 34839 1 279 . 1 . 1 25 25 GLU C C 13 177.368 0.005 . 1 . . . . A 162 GLU C . 34839 1 280 . 1 . 1 25 25 GLU CA C 13 57.749 0.025 . 1 . . . . A 162 GLU CA . 34839 1 281 . 1 . 1 25 25 GLU CB C 13 30.230 0.014 . 1 . . . . A 162 GLU CB . 34839 1 282 . 1 . 1 25 25 GLU CG C 13 36.079 0.003 . 1 . . . . A 162 GLU CG . 34839 1 283 . 1 . 1 25 25 GLU N N 15 121.217 0.014 . 1 . . . . A 162 GLU N . 34839 1 284 . 1 . 1 26 26 THR H H 1 7.698 0.002 . 1 . . . . A 163 THR H . 34839 1 285 . 1 . 1 26 26 THR HA H 1 4.025 0.010 . 1 . . . . A 163 THR HA . 34839 1 286 . 1 . 1 26 26 THR HB H 1 4.152 0.002 . 1 . . . . A 163 THR HB . 34839 1 287 . 1 . 1 26 26 THR HG1 H 1 5.201 0.000 . 1 . . . . A 163 THR HG1 . 34839 1 288 . 1 . 1 26 26 THR HG21 H 1 0.916 0.009 . 1 . . . . A 163 THR HG21 . 34839 1 289 . 1 . 1 26 26 THR HG22 H 1 0.916 0.009 . 1 . . . . A 163 THR HG22 . 34839 1 290 . 1 . 1 26 26 THR HG23 H 1 0.916 0.009 . 1 . . . . A 163 THR HG23 . 34839 1 291 . 1 . 1 26 26 THR C C 13 175.478 0.004 . 1 . . . . A 163 THR C . 34839 1 292 . 1 . 1 26 26 THR CA C 13 61.382 0.060 . 1 . . . . A 163 THR CA . 34839 1 293 . 1 . 1 26 26 THR CB C 13 69.410 0.023 . 1 . . . . A 163 THR CB . 34839 1 294 . 1 . 1 26 26 THR CG2 C 13 20.771 0.000 . 1 . . . . A 163 THR CG2 . 34839 1 295 . 1 . 1 26 26 THR N N 15 108.767 0.009 . 1 . . . . A 163 THR N . 34839 1 296 . 1 . 1 27 27 LYS H H 1 7.886 0.001 . 1 . . . . A 164 LYS H . 34839 1 297 . 1 . 1 27 27 LYS HA H 1 3.587 0.000 . 1 . . . . A 164 LYS HA . 34839 1 298 . 1 . 1 27 27 LYS HB2 H 1 2.079 0.000 . 2 . . . . A 164 LYS HB2 . 34839 1 299 . 1 . 1 27 27 LYS HB3 H 1 2.026 0.000 . 2 . . . . A 164 LYS HB3 . 34839 1 300 . 1 . 1 27 27 LYS HG2 H 1 1.154 0.000 . 2 . . . . A 164 LYS HG2 . 34839 1 301 . 1 . 1 27 27 LYS HG3 H 1 1.154 0.000 . 2 . . . . A 164 LYS HG3 . 34839 1 302 . 1 . 1 27 27 LYS HD2 H 1 1.546 0.000 . 2 . . . . A 164 LYS HD2 . 34839 1 303 . 1 . 1 27 27 LYS HD3 H 1 1.546 0.000 . 2 . . . . A 164 LYS HD3 . 34839 1 304 . 1 . 1 27 27 LYS HE2 H 1 2.886 0.000 . 2 . . . . A 164 LYS HE2 . 34839 1 305 . 1 . 1 27 27 LYS HE3 H 1 2.886 0.000 . 2 . . . . A 164 LYS HE3 . 34839 1 306 . 1 . 1 27 27 LYS C C 13 174.855 0.004 . 1 . . . . A 164 LYS C . 34839 1 307 . 1 . 1 27 27 LYS CA C 13 57.084 0.038 . 1 . . . . A 164 LYS CA . 34839 1 308 . 1 . 1 27 27 LYS CB C 13 28.288 0.052 . 1 . . . . A 164 LYS CB . 34839 1 309 . 1 . 1 27 27 LYS CG C 13 24.898 0.000 . 1 . . . . A 164 LYS CG . 34839 1 310 . 1 . 1 27 27 LYS CD C 13 28.746 0.000 . 1 . . . . A 164 LYS CD . 34839 1 311 . 1 . 1 27 27 LYS CE C 13 42.002 0.000 . 1 . . . . A 164 LYS CE . 34839 1 312 . 1 . 1 27 27 LYS N N 15 116.167 0.008 . 1 . . . . A 164 LYS N . 34839 1 313 . 1 . 1 28 28 GLN H H 1 6.973 0.001 . 1 . . . . A 165 GLN H . 34839 1 314 . 1 . 1 28 28 GLN HA H 1 4.352 0.000 . 1 . . . . A 165 GLN HA . 34839 1 315 . 1 . 1 28 28 GLN HB2 H 1 1.654 0.000 . 2 . . . . A 165 GLN HB2 . 34839 1 316 . 1 . 1 28 28 GLN HB3 H 1 1.988 0.000 . 2 . . . . A 165 GLN HB3 . 34839 1 317 . 1 . 1 28 28 GLN HG2 H 1 2.262 0.000 . 2 . . . . A 165 GLN HG2 . 34839 1 318 . 1 . 1 28 28 GLN HG3 H 1 2.262 0.000 . 2 . . . . A 165 GLN HG3 . 34839 1 319 . 1 . 1 28 28 GLN HE21 H 1 7.489 0.002 . 1 . . . . A 165 GLN HE21 . 34839 1 320 . 1 . 1 28 28 GLN HE22 H 1 6.894 0.002 . 1 . . . . A 165 GLN HE22 . 34839 1 321 . 1 . 1 28 28 GLN C C 13 174.084 0.007 . 1 . . . . A 165 GLN C . 34839 1 322 . 1 . 1 28 28 GLN CA C 13 55.004 0.048 . 1 . . . . A 165 GLN CA . 34839 1 323 . 1 . 1 28 28 GLN CB C 13 30.589 0.025 . 1 . . . . A 165 GLN CB . 34839 1 324 . 1 . 1 28 28 GLN CG C 13 33.445 0.000 . 1 . . . . A 165 GLN CG . 34839 1 325 . 1 . 1 28 28 GLN CD C 13 179.930 0.009 . 1 . . . . A 165 GLN CD . 34839 1 326 . 1 . 1 28 28 GLN N N 15 117.722 0.006 . 1 . . . . A 165 GLN N . 34839 1 327 . 1 . 1 28 28 GLN NE2 N 15 112.710 0.004 . 1 . . . . A 165 GLN NE2 . 34839 1 328 . 1 . 1 29 29 SER H H 1 8.443 0.001 . 1 . . . . A 166 SER H . 34839 1 329 . 1 . 1 29 29 SER HA H 1 6.012 0.000 . 1 . . . . A 166 SER HA . 34839 1 330 . 1 . 1 29 29 SER HB2 H 1 3.649 0.000 . 2 . . . . A 166 SER HB2 . 34839 1 331 . 1 . 1 29 29 SER HB3 H 1 3.621 0.000 . 2 . . . . A 166 SER HB3 . 34839 1 332 . 1 . 1 29 29 SER C C 13 173.587 0.006 . 1 . . . . A 166 SER C . 34839 1 333 . 1 . 1 29 29 SER CA C 13 56.655 0.079 . 1 . . . . A 166 SER CA . 34839 1 334 . 1 . 1 29 29 SER CB C 13 65.879 0.034 . 1 . . . . A 166 SER CB . 34839 1 335 . 1 . 1 29 29 SER N N 15 116.288 0.012 . 1 . . . . A 166 SER N . 34839 1 336 . 1 . 1 30 30 THR H H 1 9.256 0.004 . 1 . . . . A 167 THR H . 34839 1 337 . 1 . 1 30 30 THR HA H 1 4.799 0.000 . 1 . . . . A 167 THR HA . 34839 1 338 . 1 . 1 30 30 THR HB H 1 4.250 0.000 . 1 . . . . A 167 THR HB . 34839 1 339 . 1 . 1 30 30 THR HG21 H 1 1.192 0.000 . 1 . . . . A 167 THR HG21 . 34839 1 340 . 1 . 1 30 30 THR HG22 H 1 1.192 0.000 . 1 . . . . A 167 THR HG22 . 34839 1 341 . 1 . 1 30 30 THR HG23 H 1 1.192 0.000 . 1 . . . . A 167 THR HG23 . 34839 1 342 . 1 . 1 30 30 THR C C 13 171.834 0.003 . 1 . . . . A 167 THR C . 34839 1 343 . 1 . 1 30 30 THR CA C 13 59.218 0.082 . 1 . . . . A 167 THR CA . 34839 1 344 . 1 . 1 30 30 THR CB C 13 69.761 0.041 . 1 . . . . A 167 THR CB . 34839 1 345 . 1 . 1 30 30 THR CG2 C 13 19.778 0.000 . 1 . . . . A 167 THR CG2 . 34839 1 346 . 1 . 1 30 30 THR N N 15 117.280 0.007 . 1 . . . . A 167 THR N . 34839 1 347 . 1 . 1 31 31 TRP H H 1 8.590 0.003 . 1 . . . . A 168 TRP H . 34839 1 348 . 1 . 1 31 31 TRP HA H 1 4.973 0.000 . 1 . . . . A 168 TRP HA . 34839 1 349 . 1 . 1 31 31 TRP HB2 H 1 3.082 0.000 . 2 . . . . A 168 TRP HB2 . 34839 1 350 . 1 . 1 31 31 TRP HB3 H 1 3.606 0.000 . 2 . . . . A 168 TRP HB3 . 34839 1 351 . 1 . 1 31 31 TRP HD1 H 1 7.326 0.000 . 1 . . . . A 168 TRP HD1 . 34839 1 352 . 1 . 1 31 31 TRP HE1 H 1 10.007 0.000 . 1 . . . . A 168 TRP HE1 . 34839 1 353 . 1 . 1 31 31 TRP HE3 H 1 7.966 0.000 . 1 . . . . A 168 TRP HE3 . 34839 1 354 . 1 . 1 31 31 TRP HZ2 H 1 7.264 0.000 . 1 . . . . A 168 TRP HZ2 . 34839 1 355 . 1 . 1 31 31 TRP HZ3 H 1 6.908 0.000 . 1 . . . . A 168 TRP HZ3 . 34839 1 356 . 1 . 1 31 31 TRP HH2 H 1 7.048 0.000 . 1 . . . . A 168 TRP HH2 . 34839 1 357 . 1 . 1 31 31 TRP C C 13 175.830 0.002 . 1 . . . . A 168 TRP C . 34839 1 358 . 1 . 1 31 31 TRP CA C 13 57.898 0.014 . 1 . . . . A 168 TRP CA . 34839 1 359 . 1 . 1 31 31 TRP CB C 13 30.050 0.020 . 1 . . . . A 168 TRP CB . 34839 1 360 . 1 . 1 31 31 TRP CD1 C 13 127.517 0.000 . 1 . . . . A 168 TRP CD1 . 34839 1 361 . 1 . 1 31 31 TRP CE3 C 13 121.438 0.000 . 1 . . . . A 168 TRP CE3 . 34839 1 362 . 1 . 1 31 31 TRP CZ2 C 13 114.104 0.000 . 1 . . . . A 168 TRP CZ2 . 34839 1 363 . 1 . 1 31 31 TRP CZ3 C 13 122.194 0.000 . 1 . . . . A 168 TRP CZ3 . 34839 1 364 . 1 . 1 31 31 TRP CH2 C 13 123.938 0.000 . 1 . . . . A 168 TRP CH2 . 34839 1 365 . 1 . 1 31 31 TRP N N 15 125.461 0.013 . 1 . . . . A 168 TRP N . 34839 1 366 . 1 . 1 31 31 TRP NE1 N 15 128.639 0.000 . 1 . . . . A 168 TRP NE1 . 34839 1 367 . 1 . 1 32 32 GLU H H 1 8.172 0.001 . 1 . . . . A 169 GLU H . 34839 1 368 . 1 . 1 32 32 GLU HA H 1 4.387 0.000 . 1 . . . . A 169 GLU HA . 34839 1 369 . 1 . 1 32 32 GLU HB2 H 1 1.780 0.000 . 2 . . . . A 169 GLU HB2 . 34839 1 370 . 1 . 1 32 32 GLU HB3 H 1 1.780 0.000 . 2 . . . . A 169 GLU HB3 . 34839 1 371 . 1 . 1 32 32 GLU HG2 H 1 2.123 0.000 . 2 . . . . A 169 GLU HG2 . 34839 1 372 . 1 . 1 32 32 GLU HG3 H 1 2.123 0.000 . 2 . . . . A 169 GLU HG3 . 34839 1 373 . 1 . 1 32 32 GLU C C 13 174.486 0.005 . 1 . . . . A 169 GLU C . 34839 1 374 . 1 . 1 32 32 GLU CA C 13 54.750 0.052 . 1 . . . . A 169 GLU CA . 34839 1 375 . 1 . 1 32 32 GLU CB C 13 30.558 0.042 . 1 . . . . A 169 GLU CB . 34839 1 376 . 1 . 1 32 32 GLU CG C 13 35.777 0.000 . 1 . . . . A 169 GLU CG . 34839 1 377 . 1 . 1 32 32 GLU N N 15 120.588 0.020 . 1 . . . . A 169 GLU N . 34839 1 378 . 1 . 1 33 33 LYS H H 1 8.331 0.001 . 1 . . . . A 170 LYS H . 34839 1 379 . 1 . 1 33 33 LYS HA H 1 2.800 0.000 . 1 . . . . A 170 LYS HA . 34839 1 380 . 1 . 1 33 33 LYS HB2 H 1 1.369 0.000 . 2 . . . . A 170 LYS HB2 . 34839 1 381 . 1 . 1 33 33 LYS HB3 H 1 1.369 0.000 . 2 . . . . A 170 LYS HB3 . 34839 1 382 . 1 . 1 33 33 LYS HG2 H 1 0.998 0.000 . 2 . . . . A 170 LYS HG2 . 34839 1 383 . 1 . 1 33 33 LYS HG3 H 1 0.485 0.000 . 2 . . . . A 170 LYS HG3 . 34839 1 384 . 1 . 1 33 33 LYS HD2 H 1 1.505 0.000 . 2 . . . . A 170 LYS HD2 . 34839 1 385 . 1 . 1 33 33 LYS HD3 H 1 1.414 0.000 . 2 . . . . A 170 LYS HD3 . 34839 1 386 . 1 . 1 33 33 LYS HE2 H 1 2.779 0.000 . 2 . . . . A 170 LYS HE2 . 34839 1 387 . 1 . 1 33 33 LYS HE3 H 1 2.613 0.000 . 2 . . . . A 170 LYS HE3 . 34839 1 388 . 1 . 1 33 33 LYS C C 13 173.825 0.000 . 1 . . . . A 170 LYS C . 34839 1 389 . 1 . 1 33 33 LYS CA C 13 54.607 0.077 . 1 . . . . A 170 LYS CA . 34839 1 390 . 1 . 1 33 33 LYS CB C 13 32.471 0.016 . 1 . . . . A 170 LYS CB . 34839 1 391 . 1 . 1 33 33 LYS CG C 13 24.197 0.002 . 1 . . . . A 170 LYS CG . 34839 1 392 . 1 . 1 33 33 LYS CD C 13 29.437 0.013 . 1 . . . . A 170 LYS CD . 34839 1 393 . 1 . 1 33 33 LYS CE C 13 41.523 0.001 . 1 . . . . A 170 LYS CE . 34839 1 394 . 1 . 1 33 33 LYS N N 15 126.781 0.009 . 1 . . . . A 170 LYS N . 34839 1 395 . 1 . 1 34 34 PRO HA H 1 3.930 0.000 . 1 . . . . A 171 PRO HA . 34839 1 396 . 1 . 1 34 34 PRO HB2 H 1 1.188 0.000 . 2 . . . . A 171 PRO HB2 . 34839 1 397 . 1 . 1 34 34 PRO HB3 H 1 0.997 0.000 . 2 . . . . A 171 PRO HB3 . 34839 1 398 . 1 . 1 34 34 PRO HG2 H 1 0.194 0.000 . 2 . . . . A 171 PRO HG2 . 34839 1 399 . 1 . 1 34 34 PRO HG3 H 1 -0.009 0.000 . 2 . . . . A 171 PRO HG3 . 34839 1 400 . 1 . 1 34 34 PRO HD2 H 1 2.640 0.000 . 2 . . . . A 171 PRO HD2 . 34839 1 401 . 1 . 1 34 34 PRO HD3 H 1 2.080 0.000 . 2 . . . . A 171 PRO HD3 . 34839 1 402 . 1 . 1 34 34 PRO C C 13 176.740 0.002 . 1 . . . . A 171 PRO C . 34839 1 403 . 1 . 1 34 34 PRO CA C 13 61.688 0.032 . 1 . . . . A 171 PRO CA . 34839 1 404 . 1 . 1 34 34 PRO CB C 13 31.646 0.061 . 1 . . . . A 171 PRO CB . 34839 1 405 . 1 . 1 34 34 PRO CG C 13 25.405 0.001 . 1 . . . . A 171 PRO CG . 34839 1 406 . 1 . 1 34 34 PRO CD C 13 50.473 0.001 . 1 . . . . A 171 PRO CD . 34839 1 407 . 1 . 1 35 35 ASP H H 1 8.431 0.001 . 1 . . . . A 172 ASP H . 34839 1 408 . 1 . 1 35 35 ASP HA H 1 3.954 0.000 . 1 . . . . A 172 ASP HA . 34839 1 409 . 1 . 1 35 35 ASP HB2 H 1 2.494 0.000 . 2 . . . . A 172 ASP HB2 . 34839 1 410 . 1 . 1 35 35 ASP HB3 H 1 2.494 0.000 . 2 . . . . A 172 ASP HB3 . 34839 1 411 . 1 . 1 35 35 ASP C C 13 177.498 0.006 . 1 . . . . A 172 ASP C . 34839 1 412 . 1 . 1 35 35 ASP CA C 13 57.248 0.050 . 1 . . . . A 172 ASP CA . 34839 1 413 . 1 . 1 35 35 ASP CB C 13 40.045 0.016 . 1 . . . . A 172 ASP CB . 34839 1 414 . 1 . 1 35 35 ASP N N 15 122.468 0.014 . 1 . . . . A 172 ASP N . 34839 1 415 . 1 . 1 36 36 ASP H H 1 8.340 0.001 . 1 . . . . A 173 ASP H . 34839 1 416 . 1 . 1 36 36 ASP HA H 1 4.304 0.000 . 1 . . . . A 173 ASP HA . 34839 1 417 . 1 . 1 36 36 ASP HB2 H 1 2.689 0.000 . 2 . . . . A 173 ASP HB2 . 34839 1 418 . 1 . 1 36 36 ASP HB3 H 1 2.370 0.000 . 2 . . . . A 173 ASP HB3 . 34839 1 419 . 1 . 1 36 36 ASP C C 13 176.064 0.007 . 1 . . . . A 173 ASP C . 34839 1 420 . 1 . 1 36 36 ASP CA C 13 55.435 0.035 . 1 . . . . A 173 ASP CA . 34839 1 421 . 1 . 1 36 36 ASP CB C 13 40.674 0.044 . 1 . . . . A 173 ASP CB . 34839 1 422 . 1 . 1 36 36 ASP N N 15 115.210 0.012 . 1 . . . . A 173 ASP N . 34839 1 423 . 1 . 1 37 37 LEU H H 1 7.242 0.003 . 1 . . . . A 174 LEU H . 34839 1 424 . 1 . 1 37 37 LEU HA H 1 4.340 0.000 . 1 . . . . A 174 LEU HA . 34839 1 425 . 1 . 1 37 37 LEU HB2 H 1 1.546 0.000 . 2 . . . . A 174 LEU HB2 . 34839 1 426 . 1 . 1 37 37 LEU HB3 H 1 1.130 0.000 . 2 . . . . A 174 LEU HB3 . 34839 1 427 . 1 . 1 37 37 LEU HG H 1 1.237 0.000 . 1 . . . . A 174 LEU HG . 34839 1 428 . 1 . 1 37 37 LEU HD11 H 1 0.806 0.000 . 2 . . . . A 174 LEU HD11 . 34839 1 429 . 1 . 1 37 37 LEU HD12 H 1 0.806 0.000 . 2 . . . . A 174 LEU HD12 . 34839 1 430 . 1 . 1 37 37 LEU HD13 H 1 0.806 0.000 . 2 . . . . A 174 LEU HD13 . 34839 1 431 . 1 . 1 37 37 LEU HD21 H 1 0.686 0.000 . 2 . . . . A 174 LEU HD21 . 34839 1 432 . 1 . 1 37 37 LEU HD22 H 1 0.686 0.000 . 2 . . . . A 174 LEU HD22 . 34839 1 433 . 1 . 1 37 37 LEU HD23 H 1 0.686 0.000 . 2 . . . . A 174 LEU HD23 . 34839 1 434 . 1 . 1 37 37 LEU C C 13 176.509 0.000 . 1 . . . . A 174 LEU C . 34839 1 435 . 1 . 1 37 37 LEU CA C 13 53.886 0.009 . 1 . . . . A 174 LEU CA . 34839 1 436 . 1 . 1 37 37 LEU CB C 13 42.382 0.016 . 1 . . . . A 174 LEU CB . 34839 1 437 . 1 . 1 37 37 LEU CG C 13 27.220 0.000 . 1 . . . . A 174 LEU CG . 34839 1 438 . 1 . 1 37 37 LEU CD1 C 13 22.726 0.000 . 1 . . . . A 174 LEU CD1 . 34839 1 439 . 1 . 1 37 37 LEU CD2 C 13 25.238 0.000 . 1 . . . . A 174 LEU CD2 . 34839 1 440 . 1 . 1 37 37 LEU N N 15 116.204 0.022 . 1 . . . . A 174 LEU N . 34839 1 441 . 1 . 1 38 38 LYS H H 1 7.450 0.001 . 1 . . . . A 175 LYS H . 34839 1 442 . 1 . 1 38 38 LYS HA H 1 4.296 0.000 . 1 . . . . A 175 LYS HA . 34839 1 443 . 1 . 1 38 38 LYS HB2 H 1 1.747 0.000 . 2 . . . . A 175 LYS HB2 . 34839 1 444 . 1 . 1 38 38 LYS HB3 H 1 1.747 0.000 . 2 . . . . A 175 LYS HB3 . 34839 1 445 . 1 . 1 38 38 LYS HG2 H 1 1.383 0.000 . 2 . . . . A 175 LYS HG2 . 34839 1 446 . 1 . 1 38 38 LYS HG3 H 1 1.088 0.000 . 2 . . . . A 175 LYS HG3 . 34839 1 447 . 1 . 1 38 38 LYS HE2 H 1 2.672 0.000 . 2 . . . . A 175 LYS HE2 . 34839 1 448 . 1 . 1 38 38 LYS HE3 H 1 2.672 0.000 . 2 . . . . A 175 LYS HE3 . 34839 1 449 . 1 . 1 38 38 LYS C C 13 176.482 0.003 . 1 . . . . A 175 LYS C . 34839 1 450 . 1 . 1 38 38 LYS CA C 13 56.379 0.082 . 1 . . . . A 175 LYS CA . 34839 1 451 . 1 . 1 38 38 LYS CB C 13 33.902 0.020 . 1 . . . . A 175 LYS CB . 34839 1 452 . 1 . 1 38 38 LYS CG C 13 25.650 0.058 . 1 . . . . A 175 LYS CG . 34839 1 453 . 1 . 1 38 38 LYS CE C 13 41.768 0.000 . 1 . . . . A 175 LYS CE . 34839 1 454 . 1 . 1 38 38 LYS N N 15 120.976 0.018 . 1 . . . . A 175 LYS N . 34839 1 455 . 1 . 1 39 39 THR H H 1 8.594 0.003 . 1 . . . . A 176 THR H . 34839 1 456 . 1 . 1 39 39 THR HA H 1 4.517 0.000 . 1 . . . . A 176 THR HA . 34839 1 457 . 1 . 1 39 39 THR HB H 1 4.487 0.000 . 1 . . . . A 176 THR HB . 34839 1 458 . 1 . 1 39 39 THR HG21 H 1 1.272 0.000 . 1 . . . . A 176 THR HG21 . 34839 1 459 . 1 . 1 39 39 THR HG22 H 1 1.272 0.000 . 1 . . . . A 176 THR HG22 . 34839 1 460 . 1 . 1 39 39 THR HG23 H 1 1.272 0.000 . 1 . . . . A 176 THR HG23 . 34839 1 461 . 1 . 1 39 39 THR C C 13 173.240 0.000 . 1 . . . . A 176 THR C . 34839 1 462 . 1 . 1 39 39 THR CA C 13 60.077 0.081 . 1 . . . . A 176 THR CA . 34839 1 463 . 1 . 1 39 39 THR CB C 13 68.401 0.032 . 1 . . . . A 176 THR CB . 34839 1 464 . 1 . 1 39 39 THR CG2 C 13 21.598 0.000 . 1 . . . . A 176 THR CG2 . 34839 1 465 . 1 . 1 39 39 THR N N 15 115.693 0.013 . 1 . . . . A 176 THR N . 34839 1 466 . 1 . 1 40 40 PRO HA H 1 4.178 0.000 . 1 . . . . A 177 PRO HA . 34839 1 467 . 1 . 1 40 40 PRO HB2 H 1 2.293 0.000 . 2 . . . . A 177 PRO HB2 . 34839 1 468 . 1 . 1 40 40 PRO HB3 H 1 1.861 0.000 . 2 . . . . A 177 PRO HB3 . 34839 1 469 . 1 . 1 40 40 PRO HG2 H 1 1.942 0.000 . 2 . . . . A 177 PRO HG2 . 34839 1 470 . 1 . 1 40 40 PRO HG3 H 1 2.094 0.000 . 2 . . . . A 177 PRO HG3 . 34839 1 471 . 1 . 1 40 40 PRO HD2 H 1 3.823 0.000 . 2 . . . . A 177 PRO HD2 . 34839 1 472 . 1 . 1 40 40 PRO HD3 H 1 3.760 0.000 . 2 . . . . A 177 PRO HD3 . 34839 1 473 . 1 . 1 40 40 PRO C C 13 178.185 0.003 . 1 . . . . A 177 PRO C . 34839 1 474 . 1 . 1 40 40 PRO CA C 13 65.248 0.001 . 1 . . . . A 177 PRO CA . 34839 1 475 . 1 . 1 40 40 PRO CB C 13 31.547 0.020 . 1 . . . . A 177 PRO CB . 34839 1 476 . 1 . 1 40 40 PRO CG C 13 27.773 0.010 . 1 . . . . A 177 PRO CG . 34839 1 477 . 1 . 1 40 40 PRO CD C 13 50.204 0.004 . 1 . . . . A 177 PRO CD . 34839 1 478 . 1 . 1 41 41 ALA H H 1 8.123 0.003 . 1 . . . . A 178 ALA H . 34839 1 479 . 1 . 1 41 41 ALA HA H 1 4.005 0.000 . 1 . . . . A 178 ALA HA . 34839 1 480 . 1 . 1 41 41 ALA HB1 H 1 1.308 0.000 . 1 . . . . A 178 ALA HB1 . 34839 1 481 . 1 . 1 41 41 ALA HB2 H 1 1.308 0.000 . 1 . . . . A 178 ALA HB2 . 34839 1 482 . 1 . 1 41 41 ALA HB3 H 1 1.308 0.000 . 1 . . . . A 178 ALA HB3 . 34839 1 483 . 1 . 1 41 41 ALA C C 13 179.232 0.009 . 1 . . . . A 178 ALA C . 34839 1 484 . 1 . 1 41 41 ALA CA C 13 54.449 0.023 . 1 . . . . A 178 ALA CA . 34839 1 485 . 1 . 1 41 41 ALA CB C 13 18.344 0.003 . 1 . . . . A 178 ALA CB . 34839 1 486 . 1 . 1 41 41 ALA N N 15 119.877 0.023 . 1 . . . . A 178 ALA N . 34839 1 487 . 1 . 1 42 42 GLU H H 1 7.820 0.003 . 1 . . . . A 179 GLU H . 34839 1 488 . 1 . 1 42 42 GLU HA H 1 3.944 0.000 . 1 . . . . A 179 GLU HA . 34839 1 489 . 1 . 1 42 42 GLU HB2 H 1 2.186 0.000 . 2 . . . . A 179 GLU HB2 . 34839 1 490 . 1 . 1 42 42 GLU HB3 H 1 1.887 0.000 . 2 . . . . A 179 GLU HB3 . 34839 1 491 . 1 . 1 42 42 GLU HG2 H 1 2.271 0.000 . 2 . . . . A 179 GLU HG2 . 34839 1 492 . 1 . 1 42 42 GLU HG3 H 1 2.177 0.000 . 2 . . . . A 179 GLU HG3 . 34839 1 493 . 1 . 1 42 42 GLU C C 13 178.814 0.005 . 1 . . . . A 179 GLU C . 34839 1 494 . 1 . 1 42 42 GLU CA C 13 58.122 0.043 . 1 . . . . A 179 GLU CA . 34839 1 495 . 1 . 1 42 42 GLU CB C 13 30.104 0.028 . 1 . . . . A 179 GLU CB . 34839 1 496 . 1 . 1 42 42 GLU CG C 13 36.907 0.002 . 1 . . . . A 179 GLU CG . 34839 1 497 . 1 . 1 42 42 GLU N N 15 118.209 0.011 . 1 . . . . A 179 GLU N . 34839 1 498 . 1 . 1 43 43 GLN H H 1 8.272 0.000 . 1 . . . . A 180 GLN H . 34839 1 499 . 1 . 1 43 43 GLN HA H 1 4.028 0.000 . 1 . . . . A 180 GLN HA . 34839 1 500 . 1 . 1 43 43 GLN HB2 H 1 2.025 0.000 . 2 . . . . A 180 GLN HB2 . 34839 1 501 . 1 . 1 43 43 GLN HB3 H 1 2.025 0.000 . 2 . . . . A 180 GLN HB3 . 34839 1 502 . 1 . 1 43 43 GLN HG2 H 1 2.201 0.000 . 2 . . . . A 180 GLN HG2 . 34839 1 503 . 1 . 1 43 43 GLN HG3 H 1 2.323 0.000 . 2 . . . . A 180 GLN HG3 . 34839 1 504 . 1 . 1 43 43 GLN HE21 H 1 7.097 0.001 . 1 . . . . A 180 GLN HE21 . 34839 1 505 . 1 . 1 43 43 GLN HE22 H 1 6.704 0.000 . 1 . . . . A 180 GLN HE22 . 34839 1 506 . 1 . 1 43 43 GLN C C 13 177.405 0.004 . 1 . . . . A 180 GLN C . 34839 1 507 . 1 . 1 43 43 GLN CA C 13 57.764 0.061 . 1 . . . . A 180 GLN CA . 34839 1 508 . 1 . 1 43 43 GLN CB C 13 28.468 0.016 . 1 . . . . A 180 GLN CB . 34839 1 509 . 1 . 1 43 43 GLN CG C 13 33.869 0.006 . 1 . . . . A 180 GLN CG . 34839 1 510 . 1 . 1 43 43 GLN CD C 13 179.163 0.011 . 1 . . . . A 180 GLN CD . 34839 1 511 . 1 . 1 43 43 GLN N N 15 119.985 0.009 . 1 . . . . A 180 GLN N . 34839 1 512 . 1 . 1 43 43 GLN NE2 N 15 111.586 0.000 . 1 . . . . A 180 GLN NE2 . 34839 1 513 . 1 . 1 44 44 LEU H H 1 7.805 0.003 . 1 . . . . A 181 LEU H . 34839 1 514 . 1 . 1 44 44 LEU HA H 1 4.067 0.000 . 1 . . . . A 181 LEU HA . 34839 1 515 . 1 . 1 44 44 LEU HB2 H 1 1.713 0.000 . 2 . . . . A 181 LEU HB2 . 34839 1 516 . 1 . 1 44 44 LEU HB3 H 1 1.515 0.000 . 2 . . . . A 181 LEU HB3 . 34839 1 517 . 1 . 1 44 44 LEU HG H 1 1.645 0.000 . 1 . . . . A 181 LEU HG . 34839 1 518 . 1 . 1 44 44 LEU HD11 H 1 0.809 0.000 . 2 . . . . A 181 LEU HD11 . 34839 1 519 . 1 . 1 44 44 LEU HD12 H 1 0.809 0.000 . 2 . . . . A 181 LEU HD12 . 34839 1 520 . 1 . 1 44 44 LEU HD13 H 1 0.809 0.000 . 2 . . . . A 181 LEU HD13 . 34839 1 521 . 1 . 1 44 44 LEU HD21 H 1 0.794 0.000 . 2 . . . . A 181 LEU HD21 . 34839 1 522 . 1 . 1 44 44 LEU HD22 H 1 0.794 0.000 . 2 . . . . A 181 LEU HD22 . 34839 1 523 . 1 . 1 44 44 LEU HD23 H 1 0.794 0.000 . 2 . . . . A 181 LEU HD23 . 34839 1 524 . 1 . 1 44 44 LEU C C 13 178.508 0.018 . 1 . . . . A 181 LEU C . 34839 1 525 . 1 . 1 44 44 LEU CA C 13 56.663 0.000 . 1 . . . . A 181 LEU CA . 34839 1 526 . 1 . 1 44 44 LEU CB C 13 41.810 0.022 . 1 . . . . A 181 LEU CB . 34839 1 527 . 1 . 1 44 44 LEU CG C 13 26.939 0.000 . 1 . . . . A 181 LEU CG . 34839 1 528 . 1 . 1 44 44 LEU CD1 C 13 24.670 0.000 . 1 . . . . A 181 LEU CD1 . 34839 1 529 . 1 . 1 44 44 LEU CD2 C 13 23.234 0.000 . 1 . . . . A 181 LEU CD2 . 34839 1 530 . 1 . 1 44 44 LEU N N 15 120.472 0.019 . 1 . . . . A 181 LEU N . 34839 1 531 . 1 . 1 45 45 LEU H H 1 7.849 0.002 . 1 . . . . A 182 LEU H . 34839 1 532 . 1 . 1 45 45 LEU HA H 1 4.127 0.000 . 1 . . . . A 182 LEU HA . 34839 1 533 . 1 . 1 45 45 LEU HB2 H 1 1.592 0.000 . 2 . . . . A 182 LEU HB2 . 34839 1 534 . 1 . 1 45 45 LEU HB3 H 1 1.677 0.000 . 2 . . . . A 182 LEU HB3 . 34839 1 535 . 1 . 1 45 45 LEU HG H 1 1.637 0.000 . 1 . . . . A 182 LEU HG . 34839 1 536 . 1 . 1 45 45 LEU HD11 H 1 0.862 0.000 . 2 . . . . A 182 LEU HD11 . 34839 1 537 . 1 . 1 45 45 LEU HD12 H 1 0.862 0.000 . 2 . . . . A 182 LEU HD12 . 34839 1 538 . 1 . 1 45 45 LEU HD13 H 1 0.862 0.000 . 2 . . . . A 182 LEU HD13 . 34839 1 539 . 1 . 1 45 45 LEU HD21 H 1 0.843 0.000 . 2 . . . . A 182 LEU HD21 . 34839 1 540 . 1 . 1 45 45 LEU HD22 H 1 0.843 0.000 . 2 . . . . A 182 LEU HD22 . 34839 1 541 . 1 . 1 45 45 LEU HD23 H 1 0.843 0.000 . 2 . . . . A 182 LEU HD23 . 34839 1 542 . 1 . 1 45 45 LEU C C 13 178.223 0.004 . 1 . . . . A 182 LEU C . 34839 1 543 . 1 . 1 45 45 LEU CA C 13 56.603 0.082 . 1 . . . . A 182 LEU CA . 34839 1 544 . 1 . 1 45 45 LEU CB C 13 41.697 0.022 . 1 . . . . A 182 LEU CB . 34839 1 545 . 1 . 1 45 45 LEU CG C 13 26.661 0.000 . 1 . . . . A 182 LEU CG . 34839 1 546 . 1 . 1 45 45 LEU CD1 C 13 24.675 0.000 . 1 . . . . A 182 LEU CD1 . 34839 1 547 . 1 . 1 45 45 LEU CD2 C 13 23.771 0.000 . 1 . . . . A 182 LEU CD2 . 34839 1 548 . 1 . 1 45 45 LEU N N 15 119.923 0.029 . 1 . . . . A 182 LEU N . 34839 1 549 . 1 . 1 46 46 SER H H 1 7.802 0.002 . 1 . . . . A 183 SER H . 34839 1 550 . 1 . 1 46 46 SER HA H 1 4.262 0.000 . 1 . . . . A 183 SER HA . 34839 1 551 . 1 . 1 46 46 SER HB2 H 1 3.888 0.000 . 2 . . . . A 183 SER HB2 . 34839 1 552 . 1 . 1 46 46 SER HB3 H 1 3.857 0.000 . 2 . . . . A 183 SER HB3 . 34839 1 553 . 1 . 1 46 46 SER C C 13 174.527 0.004 . 1 . . . . A 183 SER C . 34839 1 554 . 1 . 1 46 46 SER CA C 13 59.625 0.055 . 1 . . . . A 183 SER CA . 34839 1 555 . 1 . 1 46 46 SER CB C 13 63.170 0.054 . 1 . . . . A 183 SER CB . 34839 1 556 . 1 . 1 46 46 SER N N 15 114.031 0.015 . 1 . . . . A 183 SER N . 34839 1 557 . 1 . 1 47 47 LYS H H 1 7.663 0.002 . 1 . . . . A 184 LYS H . 34839 1 558 . 1 . 1 47 47 LYS HA H 1 4.253 0.000 . 1 . . . . A 184 LYS HA . 34839 1 559 . 1 . 1 47 47 LYS HB2 H 1 1.699 0.000 . 2 . . . . A 184 LYS HB2 . 34839 1 560 . 1 . 1 47 47 LYS HB3 H 1 1.866 0.000 . 2 . . . . A 184 LYS HB3 . 34839 1 561 . 1 . 1 47 47 LYS HG2 H 1 1.408 0.000 . 2 . . . . A 184 LYS HG2 . 34839 1 562 . 1 . 1 47 47 LYS HG3 H 1 1.408 0.000 . 2 . . . . A 184 LYS HG3 . 34839 1 563 . 1 . 1 47 47 LYS HD2 H 1 1.580 0.000 . 2 . . . . A 184 LYS HD2 . 34839 1 564 . 1 . 1 47 47 LYS HD3 H 1 1.580 0.000 . 2 . . . . A 184 LYS HD3 . 34839 1 565 . 1 . 1 47 47 LYS HE2 H 1 2.895 0.000 . 2 . . . . A 184 LYS HE2 . 34839 1 566 . 1 . 1 47 47 LYS HE3 H 1 2.895 0.000 . 2 . . . . A 184 LYS HE3 . 34839 1 567 . 1 . 1 47 47 LYS C C 13 175.570 0.007 . 1 . . . . A 184 LYS C . 34839 1 568 . 1 . 1 47 47 LYS CA C 13 55.818 0.021 . 1 . . . . A 184 LYS CA . 34839 1 569 . 1 . 1 47 47 LYS CB C 13 32.665 0.044 . 1 . . . . A 184 LYS CB . 34839 1 570 . 1 . 1 47 47 LYS CG C 13 24.465 0.000 . 1 . . . . A 184 LYS CG . 34839 1 571 . 1 . 1 47 47 LYS CD C 13 28.682 0.000 . 1 . . . . A 184 LYS CD . 34839 1 572 . 1 . 1 47 47 LYS CE C 13 41.718 0.000 . 1 . . . . A 184 LYS CE . 34839 1 573 . 1 . 1 47 47 LYS N N 15 120.305 0.010 . 1 . . . . A 184 LYS N . 34839 1 574 . 1 . 1 48 48 CYS H H 1 7.853 0.002 . 1 . . . . A 185 CYS H . 34839 1 575 . 1 . 1 48 48 CYS HA H 1 4.745 0.000 . 1 . . . . A 185 CYS HA . 34839 1 576 . 1 . 1 48 48 CYS HB2 H 1 3.056 0.000 . 2 . . . . A 185 CYS HB2 . 34839 1 577 . 1 . 1 48 48 CYS HB3 H 1 2.998 0.000 . 2 . . . . A 185 CYS HB3 . 34839 1 578 . 1 . 1 48 48 CYS C C 13 173.648 0.000 . 1 . . . . A 185 CYS C . 34839 1 579 . 1 . 1 48 48 CYS CA C 13 55.975 0.002 . 1 . . . . A 185 CYS CA . 34839 1 580 . 1 . 1 48 48 CYS CB C 13 27.871 0.041 . 1 . . . . A 185 CYS CB . 34839 1 581 . 1 . 1 48 48 CYS N N 15 122.366 0.007 . 1 . . . . A 185 CYS N . 34839 1 582 . 1 . 1 49 49 PRO HA H 1 4.433 0.000 . 1 . . . . A 186 PRO HA . 34839 1 583 . 1 . 1 49 49 PRO HB2 H 1 1.956 0.000 . 2 . . . . A 186 PRO HB2 . 34839 1 584 . 1 . 1 49 49 PRO HB3 H 1 1.777 0.000 . 2 . . . . A 186 PRO HB3 . 34839 1 585 . 1 . 1 49 49 PRO HG2 H 1 1.916 0.000 . 2 . . . . A 186 PRO HG2 . 34839 1 586 . 1 . 1 49 49 PRO HG3 H 1 1.509 0.000 . 2 . . . . A 186 PRO HG3 . 34839 1 587 . 1 . 1 49 49 PRO HD2 H 1 3.952 0.000 . 2 . . . . A 186 PRO HD2 . 34839 1 588 . 1 . 1 49 49 PRO HD3 H 1 3.800 0.000 . 2 . . . . A 186 PRO HD3 . 34839 1 589 . 1 . 1 49 49 PRO C C 13 175.343 0.010 . 1 . . . . A 186 PRO C . 34839 1 590 . 1 . 1 49 49 PRO CA C 13 63.799 0.000 . 1 . . . . A 186 PRO CA . 34839 1 591 . 1 . 1 49 49 PRO CB C 13 31.574 0.016 . 1 . . . . A 186 PRO CB . 34839 1 592 . 1 . 1 49 49 PRO CG C 13 26.647 0.002 . 1 . . . . A 186 PRO CG . 34839 1 593 . 1 . 1 49 49 PRO CD C 13 51.127 0.012 . 1 . . . . A 186 PRO CD . 34839 1 594 . 1 . 1 50 50 TRP H H 1 7.350 0.002 . 1 . . . . A 187 TRP H . 34839 1 595 . 1 . 1 50 50 TRP HA H 1 4.988 0.000 . 1 . . . . A 187 TRP HA . 34839 1 596 . 1 . 1 50 50 TRP HB2 H 1 2.962 0.000 . 2 . . . . A 187 TRP HB2 . 34839 1 597 . 1 . 1 50 50 TRP HB3 H 1 2.875 0.000 . 2 . . . . A 187 TRP HB3 . 34839 1 598 . 1 . 1 50 50 TRP HD1 H 1 6.977 0.000 . 1 . . . . A 187 TRP HD1 . 34839 1 599 . 1 . 1 50 50 TRP HE1 H 1 10.368 0.000 . 1 . . . . A 187 TRP HE1 . 34839 1 600 . 1 . 1 50 50 TRP HE3 H 1 7.212 0.000 . 1 . . . . A 187 TRP HE3 . 34839 1 601 . 1 . 1 50 50 TRP HZ2 H 1 7.465 0.000 . 1 . . . . A 187 TRP HZ2 . 34839 1 602 . 1 . 1 50 50 TRP HZ3 H 1 6.948 0.000 . 1 . . . . A 187 TRP HZ3 . 34839 1 603 . 1 . 1 50 50 TRP HH2 H 1 6.869 0.000 . 1 . . . . A 187 TRP HH2 . 34839 1 604 . 1 . 1 50 50 TRP C C 13 174.642 0.003 . 1 . . . . A 187 TRP C . 34839 1 605 . 1 . 1 50 50 TRP CA C 13 56.559 0.081 . 1 . . . . A 187 TRP CA . 34839 1 606 . 1 . 1 50 50 TRP CB C 13 32.145 0.036 . 1 . . . . A 187 TRP CB . 34839 1 607 . 1 . 1 50 50 TRP CD1 C 13 126.493 0.000 . 1 . . . . A 187 TRP CD1 . 34839 1 608 . 1 . 1 50 50 TRP CE3 C 13 119.956 0.000 . 1 . . . . A 187 TRP CE3 . 34839 1 609 . 1 . 1 50 50 TRP CZ2 C 13 114.339 0.000 . 1 . . . . A 187 TRP CZ2 . 34839 1 610 . 1 . 1 50 50 TRP CZ3 C 13 123.018 0.000 . 1 . . . . A 187 TRP CZ3 . 34839 1 611 . 1 . 1 50 50 TRP CH2 C 13 124.893 0.000 . 1 . . . . A 187 TRP CH2 . 34839 1 612 . 1 . 1 50 50 TRP N N 15 118.978 0.017 . 1 . . . . A 187 TRP N . 34839 1 613 . 1 . 1 50 50 TRP NE1 N 15 129.901 0.000 . 1 . . . . A 187 TRP NE1 . 34839 1 614 . 1 . 1 51 51 LYS H H 1 8.756 0.003 . 1 . . . . A 188 LYS H . 34839 1 615 . 1 . 1 51 51 LYS HA H 1 4.604 0.000 . 1 . . . . A 188 LYS HA . 34839 1 616 . 1 . 1 51 51 LYS HB2 H 1 1.638 0.000 . 2 . . . . A 188 LYS HB2 . 34839 1 617 . 1 . 1 51 51 LYS HB3 H 1 1.772 0.000 . 2 . . . . A 188 LYS HB3 . 34839 1 618 . 1 . 1 51 51 LYS HG2 H 1 1.298 0.000 . 2 . . . . A 188 LYS HG2 . 34839 1 619 . 1 . 1 51 51 LYS HG3 H 1 1.420 0.000 . 2 . . . . A 188 LYS HG3 . 34839 1 620 . 1 . 1 51 51 LYS C C 13 173.850 0.003 . 1 . . . . A 188 LYS C . 34839 1 621 . 1 . 1 51 51 LYS CA C 13 54.589 0.082 . 1 . . . . A 188 LYS CA . 34839 1 622 . 1 . 1 51 51 LYS CB C 13 36.720 0.034 . 1 . . . . A 188 LYS CB . 34839 1 623 . 1 . 1 51 51 LYS CG C 13 24.959 0.006 . 1 . . . . A 188 LYS CG . 34839 1 624 . 1 . 1 51 51 LYS N N 15 120.788 0.009 . 1 . . . . A 188 LYS N . 34839 1 625 . 1 . 1 52 52 GLU H H 1 8.452 0.001 . 1 . . . . A 189 GLU H . 34839 1 626 . 1 . 1 52 52 GLU HA H 1 4.370 0.000 . 1 . . . . A 189 GLU HA . 34839 1 627 . 1 . 1 52 52 GLU HB2 H 1 1.765 0.000 . 2 . . . . A 189 GLU HB2 . 34839 1 628 . 1 . 1 52 52 GLU HB3 H 1 1.765 0.000 . 2 . . . . A 189 GLU HB3 . 34839 1 629 . 1 . 1 52 52 GLU HG2 H 1 1.759 0.000 . 2 . . . . A 189 GLU HG2 . 34839 1 630 . 1 . 1 52 52 GLU HG3 H 1 1.660 0.000 . 2 . . . . A 189 GLU HG3 . 34839 1 631 . 1 . 1 52 52 GLU C C 13 174.266 0.005 . 1 . . . . A 189 GLU C . 34839 1 632 . 1 . 1 52 52 GLU CA C 13 55.137 0.040 . 1 . . . . A 189 GLU CA . 34839 1 633 . 1 . 1 52 52 GLU CB C 13 31.619 0.006 . 1 . . . . A 189 GLU CB . 34839 1 634 . 1 . 1 52 52 GLU CG C 13 36.695 0.001 . 1 . . . . A 189 GLU CG . 34839 1 635 . 1 . 1 52 52 GLU N N 15 123.891 0.012 . 1 . . . . A 189 GLU N . 34839 1 636 . 1 . 1 53 53 TYR H H 1 8.553 0.001 . 1 . . . . A 190 TYR H . 34839 1 637 . 1 . 1 53 53 TYR HA H 1 4.426 0.000 . 1 . . . . A 190 TYR HA . 34839 1 638 . 1 . 1 53 53 TYR HB2 H 1 1.090 0.000 . 2 . . . . A 190 TYR HB2 . 34839 1 639 . 1 . 1 53 53 TYR HB3 H 1 2.500 0.000 . 2 . . . . A 190 TYR HB3 . 34839 1 640 . 1 . 1 53 53 TYR HD1 H 1 6.819 0.000 . 3 . . . . A 190 TYR HD1 . 34839 1 641 . 1 . 1 53 53 TYR HD2 H 1 6.819 0.000 . 3 . . . . A 190 TYR HD2 . 34839 1 642 . 1 . 1 53 53 TYR HE1 H 1 6.626 0.000 . 3 . . . . A 190 TYR HE1 . 34839 1 643 . 1 . 1 53 53 TYR HE2 H 1 6.626 0.000 . 3 . . . . A 190 TYR HE2 . 34839 1 644 . 1 . 1 53 53 TYR C C 13 173.413 0.001 . 1 . . . . A 190 TYR C . 34839 1 645 . 1 . 1 53 53 TYR CA C 13 55.716 0.015 . 1 . . . . A 190 TYR CA . 34839 1 646 . 1 . 1 53 53 TYR CB C 13 41.599 0.030 . 1 . . . . A 190 TYR CB . 34839 1 647 . 1 . 1 53 53 TYR CD1 C 13 132.710 0.000 . 1 . . . . A 190 TYR CD1 . 34839 1 648 . 1 . 1 53 53 TYR CD2 C 13 132.710 0.000 . 1 . . . . A 190 TYR CD2 . 34839 1 649 . 1 . 1 53 53 TYR CE1 C 13 117.371 0.000 . 1 . . . . A 190 TYR CE1 . 34839 1 650 . 1 . 1 53 53 TYR CE2 C 13 117.371 0.000 . 1 . . . . A 190 TYR CE2 . 34839 1 651 . 1 . 1 53 53 TYR N N 15 127.445 0.013 . 1 . . . . A 190 TYR N . 34839 1 652 . 1 . 1 54 54 LYS H H 1 8.315 0.001 . 1 . . . . A 191 LYS H . 34839 1 653 . 1 . 1 54 54 LYS HA H 1 4.656 0.000 . 1 . . . . A 191 LYS HA . 34839 1 654 . 1 . 1 54 54 LYS HB2 H 1 1.637 0.000 . 2 . . . . A 191 LYS HB2 . 34839 1 655 . 1 . 1 54 54 LYS HB3 H 1 1.637 0.000 . 2 . . . . A 191 LYS HB3 . 34839 1 656 . 1 . 1 54 54 LYS HG2 H 1 1.323 0.000 . 2 . . . . A 191 LYS HG2 . 34839 1 657 . 1 . 1 54 54 LYS HG3 H 1 1.323 0.000 . 2 . . . . A 191 LYS HG3 . 34839 1 658 . 1 . 1 54 54 LYS HD2 H 1 1.525 0.000 . 2 . . . . A 191 LYS HD2 . 34839 1 659 . 1 . 1 54 54 LYS HD3 H 1 1.525 0.000 . 2 . . . . A 191 LYS HD3 . 34839 1 660 . 1 . 1 54 54 LYS HE2 H 1 2.886 0.000 . 2 . . . . A 191 LYS HE2 . 34839 1 661 . 1 . 1 54 54 LYS HE3 H 1 2.886 0.000 . 2 . . . . A 191 LYS HE3 . 34839 1 662 . 1 . 1 54 54 LYS C C 13 176.728 0.009 . 1 . . . . A 191 LYS C . 34839 1 663 . 1 . 1 54 54 LYS CA C 13 55.149 0.096 . 1 . . . . A 191 LYS CA . 34839 1 664 . 1 . 1 54 54 LYS CB C 13 34.421 0.031 . 1 . . . . A 191 LYS CB . 34839 1 665 . 1 . 1 54 54 LYS CG C 13 24.570 0.000 . 1 . . . . A 191 LYS CG . 34839 1 666 . 1 . 1 54 54 LYS CD C 13 28.743 0.000 . 1 . . . . A 191 LYS CD . 34839 1 667 . 1 . 1 54 54 LYS CE C 13 41.599 0.000 . 1 . . . . A 191 LYS CE . 34839 1 668 . 1 . 1 54 54 LYS N N 15 117.927 0.018 . 1 . . . . A 191 LYS N . 34839 1 669 . 1 . 1 55 55 SER H H 1 8.842 0.001 . 1 . . . . A 192 SER H . 34839 1 670 . 1 . 1 55 55 SER HA H 1 4.763 0.000 . 1 . . . . A 192 SER HA . 34839 1 671 . 1 . 1 55 55 SER HB2 H 1 4.473 0.000 . 2 . . . . A 192 SER HB2 . 34839 1 672 . 1 . 1 55 55 SER HB3 H 1 4.178 0.000 . 2 . . . . A 192 SER HB3 . 34839 1 673 . 1 . 1 55 55 SER C C 13 175.407 0.005 . 1 . . . . A 192 SER C . 34839 1 674 . 1 . 1 55 55 SER CA C 13 57.606 0.029 . 1 . . . . A 192 SER CA . 34839 1 675 . 1 . 1 55 55 SER CB C 13 65.033 0.064 . 1 . . . . A 192 SER CB . 34839 1 676 . 1 . 1 55 55 SER N N 15 119.682 0.008 . 1 . . . . A 192 SER N . 34839 1 677 . 1 . 1 56 56 ASP H H 1 9.050 0.004 . 1 . . . . A 193 ASP H . 34839 1 678 . 1 . 1 56 56 ASP HA H 1 4.356 0.000 . 1 . . . . A 193 ASP HA . 34839 1 679 . 1 . 1 56 56 ASP HB2 H 1 2.686 0.000 . 2 . . . . A 193 ASP HB2 . 34839 1 680 . 1 . 1 56 56 ASP HB3 H 1 2.686 0.000 . 2 . . . . A 193 ASP HB3 . 34839 1 681 . 1 . 1 56 56 ASP C C 13 176.703 0.015 . 1 . . . . A 193 ASP C . 34839 1 682 . 1 . 1 56 56 ASP CA C 13 56.714 0.000 . 1 . . . . A 193 ASP CA . 34839 1 683 . 1 . 1 56 56 ASP CB C 13 39.816 0.000 . 1 . . . . A 193 ASP CB . 34839 1 684 . 1 . 1 56 56 ASP N N 15 122.426 0.063 . 1 . . . . A 193 ASP N . 34839 1 685 . 1 . 1 57 57 SER H H 1 7.975 0.004 . 1 . . . . A 194 SER H . 34839 1 686 . 1 . 1 57 57 SER HA H 1 4.457 0.000 . 1 . . . . A 194 SER HA . 34839 1 687 . 1 . 1 57 57 SER HB2 H 1 4.023 0.000 . 2 . . . . A 194 SER HB2 . 34839 1 688 . 1 . 1 57 57 SER HB3 H 1 3.819 0.000 . 2 . . . . A 194 SER HB3 . 34839 1 689 . 1 . 1 57 57 SER C C 13 174.740 0.000 . 1 . . . . A 194 SER C . 34839 1 690 . 1 . 1 57 57 SER CA C 13 58.051 0.057 . 1 . . . . A 194 SER CA . 34839 1 691 . 1 . 1 57 57 SER CB C 13 63.696 0.055 . 1 . . . . A 194 SER CB . 34839 1 692 . 1 . 1 57 57 SER N N 15 112.242 0.020 . 1 . . . . A 194 SER N . 34839 1 693 . 1 . 1 58 58 GLY H H 1 8.074 0.001 . 1 . . . . A 195 GLY H . 34839 1 694 . 1 . 1 58 58 GLY HA2 H 1 4.346 0.000 . 2 . . . . A 195 GLY HA2 . 34839 1 695 . 1 . 1 58 58 GLY HA3 H 1 3.553 0.000 . 2 . . . . A 195 GLY HA3 . 34839 1 696 . 1 . 1 58 58 GLY C C 13 173.076 0.009 . 1 . . . . A 195 GLY C . 34839 1 697 . 1 . 1 58 58 GLY CA C 13 44.922 0.052 . 1 . . . . A 195 GLY CA . 34839 1 698 . 1 . 1 58 58 GLY N N 15 111.198 0.011 . 1 . . . . A 195 GLY N . 34839 1 699 . 1 . 1 59 59 LYS H H 1 7.566 0.001 . 1 . . . . A 196 LYS H . 34839 1 700 . 1 . 1 59 59 LYS HA H 1 4.711 0.000 . 1 . . . . A 196 LYS HA . 34839 1 701 . 1 . 1 59 59 LYS HB2 H 1 1.725 0.000 . 2 . . . . A 196 LYS HB2 . 34839 1 702 . 1 . 1 59 59 LYS HB3 H 1 1.897 0.000 . 2 . . . . A 196 LYS HB3 . 34839 1 703 . 1 . 1 59 59 LYS HG2 H 1 1.553 0.000 . 2 . . . . A 196 LYS HG2 . 34839 1 704 . 1 . 1 59 59 LYS HG3 H 1 1.475 0.000 . 2 . . . . A 196 LYS HG3 . 34839 1 705 . 1 . 1 59 59 LYS HD2 H 1 1.445 0.000 . 2 . . . . A 196 LYS HD2 . 34839 1 706 . 1 . 1 59 59 LYS HD3 H 1 1.445 0.000 . 2 . . . . A 196 LYS HD3 . 34839 1 707 . 1 . 1 59 59 LYS HE2 H 1 2.756 0.000 . 2 . . . . A 196 LYS HE2 . 34839 1 708 . 1 . 1 59 59 LYS HE3 H 1 2.756 0.000 . 2 . . . . A 196 LYS HE3 . 34839 1 709 . 1 . 1 59 59 LYS C C 13 174.433 0.000 . 1 . . . . A 196 LYS C . 34839 1 710 . 1 . 1 59 59 LYS CA C 13 53.854 0.018 . 1 . . . . A 196 LYS CA . 34839 1 711 . 1 . 1 59 59 LYS CB C 13 33.030 0.004 . 1 . . . . A 196 LYS CB . 34839 1 712 . 1 . 1 59 59 LYS CG C 13 24.337 0.002 . 1 . . . . A 196 LYS CG . 34839 1 713 . 1 . 1 59 59 LYS CD C 13 28.857 0.000 . 1 . . . . A 196 LYS CD . 34839 1 714 . 1 . 1 59 59 LYS CE C 13 41.552 0.000 . 1 . . . . A 196 LYS CE . 34839 1 715 . 1 . 1 59 59 LYS N N 15 122.013 0.005 . 1 . . . . A 196 LYS N . 34839 1 716 . 1 . 1 60 60 PRO HA H 1 5.150 0.000 . 1 . . . . A 197 PRO HA . 34839 1 717 . 1 . 1 60 60 PRO HB2 H 1 1.678 0.000 . 2 . . . . A 197 PRO HB2 . 34839 1 718 . 1 . 1 60 60 PRO HB3 H 1 2.104 0.000 . 2 . . . . A 197 PRO HB3 . 34839 1 719 . 1 . 1 60 60 PRO HG2 H 1 2.193 0.000 . 2 . . . . A 197 PRO HG2 . 34839 1 720 . 1 . 1 60 60 PRO HG3 H 1 1.996 0.000 . 2 . . . . A 197 PRO HG3 . 34839 1 721 . 1 . 1 60 60 PRO HD2 H 1 3.792 0.000 . 2 . . . . A 197 PRO HD2 . 34839 1 722 . 1 . 1 60 60 PRO HD3 H 1 4.055 0.000 . 2 . . . . A 197 PRO HD3 . 34839 1 723 . 1 . 1 60 60 PRO C C 13 175.183 0.012 . 1 . . . . A 197 PRO C . 34839 1 724 . 1 . 1 60 60 PRO CA C 13 62.563 0.069 . 1 . . . . A 197 PRO CA . 34839 1 725 . 1 . 1 60 60 PRO CB C 13 32.594 0.021 . 1 . . . . A 197 PRO CB . 34839 1 726 . 1 . 1 60 60 PRO CG C 13 27.377 0.003 . 1 . . . . A 197 PRO CG . 34839 1 727 . 1 . 1 60 60 PRO CD C 13 50.930 0.006 . 1 . . . . A 197 PRO CD . 34839 1 728 . 1 . 1 61 61 TYR H H 1 8.366 0.001 . 1 . . . . A 198 TYR H . 34839 1 729 . 1 . 1 61 61 TYR HA H 1 4.542 0.000 . 1 . . . . A 198 TYR HA . 34839 1 730 . 1 . 1 61 61 TYR HB2 H 1 2.191 0.000 . 2 . . . . A 198 TYR HB2 . 34839 1 731 . 1 . 1 61 61 TYR HB3 H 1 2.369 0.000 . 2 . . . . A 198 TYR HB3 . 34839 1 732 . 1 . 1 61 61 TYR HD1 H 1 6.680 0.000 . 3 . . . . A 198 TYR HD1 . 34839 1 733 . 1 . 1 61 61 TYR HD2 H 1 6.680 0.000 . 3 . . . . A 198 TYR HD2 . 34839 1 734 . 1 . 1 61 61 TYR HE1 H 1 6.243 0.000 . 3 . . . . A 198 TYR HE1 . 34839 1 735 . 1 . 1 61 61 TYR HE2 H 1 6.243 0.000 . 3 . . . . A 198 TYR HE2 . 34839 1 736 . 1 . 1 61 61 TYR C C 13 170.820 0.008 . 1 . . . . A 198 TYR C . 34839 1 737 . 1 . 1 61 61 TYR CA C 13 55.626 0.042 . 1 . . . . A 198 TYR CA . 34839 1 738 . 1 . 1 61 61 TYR CB C 13 39.109 0.014 . 1 . . . . A 198 TYR CB . 34839 1 739 . 1 . 1 61 61 TYR CD1 C 13 133.315 0.000 . 1 . . . . A 198 TYR CD1 . 34839 1 740 . 1 . 1 61 61 TYR CD2 C 13 133.315 0.000 . 1 . . . . A 198 TYR CD2 . 34839 1 741 . 1 . 1 61 61 TYR CE1 C 13 117.189 0.000 . 1 . . . . A 198 TYR CE1 . 34839 1 742 . 1 . 1 61 61 TYR CE2 C 13 117.189 0.000 . 1 . . . . A 198 TYR CE2 . 34839 1 743 . 1 . 1 61 61 TYR N N 15 116.402 0.011 . 1 . . . . A 198 TYR N . 34839 1 744 . 1 . 1 62 62 TYR H H 1 8.784 0.001 . 1 . . . . A 199 TYR H . 34839 1 745 . 1 . 1 62 62 TYR HA H 1 5.276 0.000 . 1 . . . . A 199 TYR HA . 34839 1 746 . 1 . 1 62 62 TYR HB2 H 1 2.510 0.000 . 2 . . . . A 199 TYR HB2 . 34839 1 747 . 1 . 1 62 62 TYR HB3 H 1 2.664 0.000 . 2 . . . . A 199 TYR HB3 . 34839 1 748 . 1 . 1 62 62 TYR HD1 H 1 6.613 0.000 . 3 . . . . A 199 TYR HD1 . 34839 1 749 . 1 . 1 62 62 TYR HD2 H 1 6.613 0.000 . 3 . . . . A 199 TYR HD2 . 34839 1 750 . 1 . 1 62 62 TYR HE1 H 1 6.665 0.000 . 3 . . . . A 199 TYR HE1 . 34839 1 751 . 1 . 1 62 62 TYR HE2 H 1 6.665 0.000 . 3 . . . . A 199 TYR HE2 . 34839 1 752 . 1 . 1 62 62 TYR C C 13 173.991 0.011 . 1 . . . . A 199 TYR C . 34839 1 753 . 1 . 1 62 62 TYR CA C 13 56.437 0.059 . 1 . . . . A 199 TYR CA . 34839 1 754 . 1 . 1 62 62 TYR CB C 13 41.025 0.027 . 1 . . . . A 199 TYR CB . 34839 1 755 . 1 . 1 62 62 TYR CD1 C 13 133.240 0.000 . 1 . . . . A 199 TYR CD1 . 34839 1 756 . 1 . 1 62 62 TYR CD2 C 13 133.240 0.000 . 1 . . . . A 199 TYR CD2 . 34839 1 757 . 1 . 1 62 62 TYR CE1 C 13 117.558 0.000 . 1 . . . . A 199 TYR CE1 . 34839 1 758 . 1 . 1 62 62 TYR CE2 C 13 117.558 0.000 . 1 . . . . A 199 TYR CE2 . 34839 1 759 . 1 . 1 62 62 TYR N N 15 117.501 0.008 . 1 . . . . A 199 TYR N . 34839 1 760 . 1 . 1 63 63 TYR H H 1 9.208 0.003 . 1 . . . . A 200 TYR H . 34839 1 761 . 1 . 1 63 63 TYR HA H 1 5.716 0.000 . 1 . . . . A 200 TYR HA . 34839 1 762 . 1 . 1 63 63 TYR HB2 H 1 2.764 0.000 . 2 . . . . A 200 TYR HB2 . 34839 1 763 . 1 . 1 63 63 TYR HB3 H 1 2.764 0.000 . 2 . . . . A 200 TYR HB3 . 34839 1 764 . 1 . 1 63 63 TYR HD1 H 1 6.954 0.000 . 3 . . . . A 200 TYR HD1 . 34839 1 765 . 1 . 1 63 63 TYR HD2 H 1 6.954 0.000 . 3 . . . . A 200 TYR HD2 . 34839 1 766 . 1 . 1 63 63 TYR HE1 H 1 6.521 0.000 . 3 . . . . A 200 TYR HE1 . 34839 1 767 . 1 . 1 63 63 TYR HE2 H 1 6.521 0.000 . 3 . . . . A 200 TYR HE2 . 34839 1 768 . 1 . 1 63 63 TYR C C 13 173.488 0.014 . 1 . . . . A 200 TYR C . 34839 1 769 . 1 . 1 63 63 TYR CA C 13 55.932 0.000 . 1 . . . . A 200 TYR CA . 34839 1 770 . 1 . 1 63 63 TYR CB C 13 42.903 0.003 . 1 . . . . A 200 TYR CB . 34839 1 771 . 1 . 1 63 63 TYR CD1 C 13 133.059 0.000 . 1 . . . . A 200 TYR CD1 . 34839 1 772 . 1 . 1 63 63 TYR CD2 C 13 133.059 0.000 . 1 . . . . A 200 TYR CD2 . 34839 1 773 . 1 . 1 63 63 TYR CE1 C 13 117.342 0.000 . 1 . . . . A 200 TYR CE1 . 34839 1 774 . 1 . 1 63 63 TYR CE2 C 13 117.342 0.000 . 1 . . . . A 200 TYR CE2 . 34839 1 775 . 1 . 1 63 63 TYR N N 15 124.198 0.024 . 1 . . . . A 200 TYR N . 34839 1 776 . 1 . 1 64 64 ASN H H 1 7.917 0.003 . 1 . . . . A 201 ASN H . 34839 1 777 . 1 . 1 64 64 ASN HA H 1 4.306 0.000 . 1 . . . . A 201 ASN HA . 34839 1 778 . 1 . 1 64 64 ASN HB2 H 1 2.121 0.000 . 2 . . . . A 201 ASN HB2 . 34839 1 779 . 1 . 1 64 64 ASN HB3 H 1 -0.486 0.000 . 2 . . . . A 201 ASN HB3 . 34839 1 780 . 1 . 1 64 64 ASN HD21 H 1 6.839 0.001 . 1 . . . . A 201 ASN HD21 . 34839 1 781 . 1 . 1 64 64 ASN HD22 H 1 6.839 0.001 . 1 . . . . A 201 ASN HD22 . 34839 1 782 . 1 . 1 64 64 ASN C C 13 174.317 0.022 . 1 . . . . A 201 ASN C . 34839 1 783 . 1 . 1 64 64 ASN CA C 13 50.427 0.039 . 1 . . . . A 201 ASN CA . 34839 1 784 . 1 . 1 64 64 ASN CB C 13 37.497 0.046 . 1 . . . . A 201 ASN CB . 34839 1 785 . 1 . 1 64 64 ASN CG C 13 176.218 0.000 . 1 . . . . A 201 ASN CG . 34839 1 786 . 1 . 1 64 64 ASN N N 15 130.501 0.014 . 1 . . . . A 201 ASN N . 34839 1 787 . 1 . 1 64 64 ASN ND2 N 15 111.661 0.000 . 1 . . . . A 201 ASN ND2 . 34839 1 788 . 1 . 1 65 65 SER H H 1 8.271 0.001 . 1 . . . . A 202 SER H . 34839 1 789 . 1 . 1 65 65 SER HA H 1 3.813 0.000 . 1 . . . . A 202 SER HA . 34839 1 790 . 1 . 1 65 65 SER HB2 H 1 3.980 0.000 . 2 . . . . A 202 SER HB2 . 34839 1 791 . 1 . 1 65 65 SER HB3 H 1 3.955 0.000 . 2 . . . . A 202 SER HB3 . 34839 1 792 . 1 . 1 65 65 SER C C 13 174.605 0.000 . 1 . . . . A 202 SER C . 34839 1 793 . 1 . 1 65 65 SER CA C 13 60.113 0.000 . 1 . . . . A 202 SER CA . 34839 1 794 . 1 . 1 65 65 SER CB C 13 62.689 0.025 . 1 . . . . A 202 SER CB . 34839 1 795 . 1 . 1 65 65 SER N N 15 118.972 0.014 . 1 . . . . A 202 SER N . 34839 1 796 . 1 . 1 66 66 GLN H H 1 8.323 0.001 . 1 . . . . A 203 GLN H . 34839 1 797 . 1 . 1 66 66 GLN HA H 1 4.186 0.000 . 1 . . . . A 203 GLN HA . 34839 1 798 . 1 . 1 66 66 GLN HB2 H 1 2.017 0.000 . 2 . . . . A 203 GLN HB2 . 34839 1 799 . 1 . 1 66 66 GLN HB3 H 1 2.017 0.000 . 2 . . . . A 203 GLN HB3 . 34839 1 800 . 1 . 1 66 66 GLN HG2 H 1 2.265 0.000 . 2 . . . . A 203 GLN HG2 . 34839 1 801 . 1 . 1 66 66 GLN HG3 H 1 2.198 0.000 . 2 . . . . A 203 GLN HG3 . 34839 1 802 . 1 . 1 66 66 GLN HE21 H 1 7.394 0.002 . 1 . . . . A 203 GLN HE21 . 34839 1 803 . 1 . 1 66 66 GLN HE22 H 1 6.753 0.000 . 1 . . . . A 203 GLN HE22 . 34839 1 804 . 1 . 1 66 66 GLN C C 13 177.067 0.004 . 1 . . . . A 203 GLN C . 34839 1 805 . 1 . 1 66 66 GLN CA C 13 57.387 0.028 . 1 . . . . A 203 GLN CA . 34839 1 806 . 1 . 1 66 66 GLN CB C 13 28.627 0.040 . 1 . . . . A 203 GLN CB . 34839 1 807 . 1 . 1 66 66 GLN CG C 13 33.546 0.001 . 1 . . . . A 203 GLN CG . 34839 1 808 . 1 . 1 66 66 GLN CD C 13 179.517 0.000 . 1 . . . . A 203 GLN CD . 34839 1 809 . 1 . 1 66 66 GLN N N 15 120.750 0.006 . 1 . . . . A 203 GLN N . 34839 1 810 . 1 . 1 66 66 GLN NE2 N 15 111.847 0.005 . 1 . . . . A 203 GLN NE2 . 34839 1 811 . 1 . 1 67 67 THR H H 1 7.365 0.003 . 1 . . . . A 204 THR H . 34839 1 812 . 1 . 1 67 67 THR HA H 1 4.082 0.000 . 1 . . . . A 204 THR HA . 34839 1 813 . 1 . 1 67 67 THR HB H 1 4.163 0.000 . 1 . . . . A 204 THR HB . 34839 1 814 . 1 . 1 67 67 THR HG21 H 1 0.924 0.000 . 1 . . . . A 204 THR HG21 . 34839 1 815 . 1 . 1 67 67 THR HG22 H 1 0.924 0.000 . 1 . . . . A 204 THR HG22 . 34839 1 816 . 1 . 1 67 67 THR HG23 H 1 0.924 0.000 . 1 . . . . A 204 THR HG23 . 34839 1 817 . 1 . 1 67 67 THR C C 13 175.428 0.006 . 1 . . . . A 204 THR C . 34839 1 818 . 1 . 1 67 67 THR CA C 13 61.248 0.049 . 1 . . . . A 204 THR CA . 34839 1 819 . 1 . 1 67 67 THR CB C 13 69.503 0.060 . 1 . . . . A 204 THR CB . 34839 1 820 . 1 . 1 67 67 THR CG2 C 13 20.771 0.000 . 1 . . . . A 204 THR CG2 . 34839 1 821 . 1 . 1 67 67 THR N N 15 108.656 0.014 . 1 . . . . A 204 THR N . 34839 1 822 . 1 . 1 68 68 LYS H H 1 7.927 0.005 . 1 . . . . A 205 LYS H . 34839 1 823 . 1 . 1 68 68 LYS HA H 1 3.598 0.000 . 1 . . . . A 205 LYS HA . 34839 1 824 . 1 . 1 68 68 LYS HB2 H 1 2.084 0.000 . 2 . . . . A 205 LYS HB2 . 34839 1 825 . 1 . 1 68 68 LYS HB3 H 1 2.037 0.000 . 2 . . . . A 205 LYS HB3 . 34839 1 826 . 1 . 1 68 68 LYS HG2 H 1 1.176 0.000 . 2 . . . . A 205 LYS HG2 . 34839 1 827 . 1 . 1 68 68 LYS HG3 H 1 1.176 0.000 . 2 . . . . A 205 LYS HG3 . 34839 1 828 . 1 . 1 68 68 LYS HD2 H 1 1.567 0.000 . 2 . . . . A 205 LYS HD2 . 34839 1 829 . 1 . 1 68 68 LYS HD3 H 1 1.567 0.000 . 2 . . . . A 205 LYS HD3 . 34839 1 830 . 1 . 1 68 68 LYS HE2 H 1 2.915 0.000 . 2 . . . . A 205 LYS HE2 . 34839 1 831 . 1 . 1 68 68 LYS HE3 H 1 2.915 0.000 . 2 . . . . A 205 LYS HE3 . 34839 1 832 . 1 . 1 68 68 LYS C C 13 174.485 0.006 . 1 . . . . A 205 LYS C . 34839 1 833 . 1 . 1 68 68 LYS CA C 13 57.146 0.071 . 1 . . . . A 205 LYS CA . 34839 1 834 . 1 . 1 68 68 LYS CB C 13 28.266 0.023 . 1 . . . . A 205 LYS CB . 34839 1 835 . 1 . 1 68 68 LYS CG C 13 24.912 0.000 . 1 . . . . A 205 LYS CG . 34839 1 836 . 1 . 1 68 68 LYS CD C 13 28.740 0.000 . 1 . . . . A 205 LYS CD . 34839 1 837 . 1 . 1 68 68 LYS CE C 13 42.178 0.000 . 1 . . . . A 205 LYS CE . 34839 1 838 . 1 . 1 68 68 LYS N N 15 116.117 0.025 . 1 . . . . A 205 LYS N . 34839 1 839 . 1 . 1 69 69 GLU H H 1 7.154 0.001 . 1 . . . . A 206 GLU H . 34839 1 840 . 1 . 1 69 69 GLU HA H 1 4.271 0.000 . 1 . . . . A 206 GLU HA . 34839 1 841 . 1 . 1 69 69 GLU HB2 H 1 1.808 0.000 . 2 . . . . A 206 GLU HB2 . 34839 1 842 . 1 . 1 69 69 GLU HB3 H 1 1.808 0.000 . 2 . . . . A 206 GLU HB3 . 34839 1 843 . 1 . 1 69 69 GLU HG2 H 1 2.402 0.000 . 2 . . . . A 206 GLU HG2 . 34839 1 844 . 1 . 1 69 69 GLU HG3 H 1 2.188 0.000 . 2 . . . . A 206 GLU HG3 . 34839 1 845 . 1 . 1 69 69 GLU C C 13 174.405 0.003 . 1 . . . . A 206 GLU C . 34839 1 846 . 1 . 1 69 69 GLU CA C 13 56.193 0.027 . 1 . . . . A 206 GLU CA . 34839 1 847 . 1 . 1 69 69 GLU CB C 13 31.639 0.018 . 1 . . . . A 206 GLU CB . 34839 1 848 . 1 . 1 69 69 GLU CG C 13 36.870 0.032 . 1 . . . . A 206 GLU CG . 34839 1 849 . 1 . 1 69 69 GLU N N 15 120.028 0.003 . 1 . . . . A 206 GLU N . 34839 1 850 . 1 . 1 70 70 SER H H 1 8.412 0.002 . 1 . . . . A 207 SER H . 34839 1 851 . 1 . 1 70 70 SER HA H 1 5.958 0.000 . 1 . . . . A 207 SER HA . 34839 1 852 . 1 . 1 70 70 SER HB2 H 1 3.628 0.000 . 2 . . . . A 207 SER HB2 . 34839 1 853 . 1 . 1 70 70 SER HB3 H 1 3.608 0.000 . 2 . . . . A 207 SER HB3 . 34839 1 854 . 1 . 1 70 70 SER C C 13 173.732 0.003 . 1 . . . . A 207 SER C . 34839 1 855 . 1 . 1 70 70 SER CA C 13 57.012 0.075 . 1 . . . . A 207 SER CA . 34839 1 856 . 1 . 1 70 70 SER CB C 13 65.542 0.051 . 1 . . . . A 207 SER CB . 34839 1 857 . 1 . 1 70 70 SER N N 15 117.686 0.004 . 1 . . . . A 207 SER N . 34839 1 858 . 1 . 1 71 71 ARG H H 1 9.541 0.003 . 1 . . . . A 208 ARG H . 34839 1 859 . 1 . 1 71 71 ARG HA H 1 4.793 0.000 . 1 . . . . A 208 ARG HA . 34839 1 860 . 1 . 1 71 71 ARG HB2 H 1 2.100 0.000 . 2 . . . . A 208 ARG HB2 . 34839 1 861 . 1 . 1 71 71 ARG HB3 H 1 1.651 0.000 . 2 . . . . A 208 ARG HB3 . 34839 1 862 . 1 . 1 71 71 ARG HG2 H 1 1.763 0.000 . 2 . . . . A 208 ARG HG2 . 34839 1 863 . 1 . 1 71 71 ARG HG3 H 1 1.595 0.000 . 2 . . . . A 208 ARG HG3 . 34839 1 864 . 1 . 1 71 71 ARG HD2 H 1 2.637 0.000 . 2 . . . . A 208 ARG HD2 . 34839 1 865 . 1 . 1 71 71 ARG HD3 H 1 2.983 0.000 . 2 . . . . A 208 ARG HD3 . 34839 1 866 . 1 . 1 71 71 ARG HE H 1 7.275 0.000 . 1 . . . . A 208 ARG HE . 34839 1 867 . 1 . 1 71 71 ARG C C 13 175.070 0.001 . 1 . . . . A 208 ARG C . 34839 1 868 . 1 . 1 71 71 ARG CA C 13 54.367 0.025 . 1 . . . . A 208 ARG CA . 34839 1 869 . 1 . 1 71 71 ARG CB C 13 35.539 0.035 . 1 . . . . A 208 ARG CB . 34839 1 870 . 1 . 1 71 71 ARG CG C 13 26.942 0.009 . 1 . . . . A 208 ARG CG . 34839 1 871 . 1 . 1 71 71 ARG CD C 13 44.005 0.001 . 1 . . . . A 208 ARG CD . 34839 1 872 . 1 . 1 71 71 ARG N N 15 121.722 0.008 . 1 . . . . A 208 ARG N . 34839 1 873 . 1 . 1 71 71 ARG NE N 15 84.741 0.000 . 1 . . . . A 208 ARG NE . 34839 1 874 . 1 . 1 72 72 TRP H H 1 8.583 0.002 . 1 . . . . A 209 TRP H . 34839 1 875 . 1 . 1 72 72 TRP HA H 1 4.958 0.000 . 1 . . . . A 209 TRP HA . 34839 1 876 . 1 . 1 72 72 TRP HB2 H 1 3.072 0.000 . 2 . . . . A 209 TRP HB2 . 34839 1 877 . 1 . 1 72 72 TRP HB3 H 1 3.597 0.000 . 2 . . . . A 209 TRP HB3 . 34839 1 878 . 1 . 1 72 72 TRP HD1 H 1 7.343 0.000 . 1 . . . . A 209 TRP HD1 . 34839 1 879 . 1 . 1 72 72 TRP HE1 H 1 10.056 0.000 . 1 . . . . A 209 TRP HE1 . 34839 1 880 . 1 . 1 72 72 TRP HE3 H 1 8.031 0.000 . 1 . . . . A 209 TRP HE3 . 34839 1 881 . 1 . 1 72 72 TRP HZ2 H 1 7.290 0.000 . 1 . . . . A 209 TRP HZ2 . 34839 1 882 . 1 . 1 72 72 TRP HZ3 H 1 6.937 0.000 . 1 . . . . A 209 TRP HZ3 . 34839 1 883 . 1 . 1 72 72 TRP HH2 H 1 7.042 0.000 . 1 . . . . A 209 TRP HH2 . 34839 1 884 . 1 . 1 72 72 TRP C C 13 175.271 0.019 . 1 . . . . A 209 TRP C . 34839 1 885 . 1 . 1 72 72 TRP CA C 13 57.856 0.010 . 1 . . . . A 209 TRP CA . 34839 1 886 . 1 . 1 72 72 TRP CB C 13 29.830 0.067 . 1 . . . . A 209 TRP CB . 34839 1 887 . 1 . 1 72 72 TRP CD1 C 13 127.529 0.000 . 1 . . . . A 209 TRP CD1 . 34839 1 888 . 1 . 1 72 72 TRP CE3 C 13 121.440 0.000 . 1 . . . . A 209 TRP CE3 . 34839 1 889 . 1 . 1 72 72 TRP CZ2 C 13 114.203 0.000 . 1 . . . . A 209 TRP CZ2 . 34839 1 890 . 1 . 1 72 72 TRP CZ3 C 13 122.065 0.000 . 1 . . . . A 209 TRP CZ3 . 34839 1 891 . 1 . 1 72 72 TRP CH2 C 13 124.189 0.000 . 1 . . . . A 209 TRP CH2 . 34839 1 892 . 1 . 1 72 72 TRP N N 15 120.153 0.005 . 1 . . . . A 209 TRP N . 34839 1 893 . 1 . 1 72 72 TRP NE1 N 15 128.821 0.000 . 1 . . . . A 209 TRP NE1 . 34839 1 894 . 1 . 1 73 73 ALA H H 1 7.449 0.001 . 1 . . . . A 210 ALA H . 34839 1 895 . 1 . 1 73 73 ALA HA H 1 4.566 0.000 . 1 . . . . A 210 ALA HA . 34839 1 896 . 1 . 1 73 73 ALA HB1 H 1 1.210 0.000 . 1 . . . . A 210 ALA HB1 . 34839 1 897 . 1 . 1 73 73 ALA HB2 H 1 1.210 0.000 . 1 . . . . A 210 ALA HB2 . 34839 1 898 . 1 . 1 73 73 ALA HB3 H 1 1.210 0.000 . 1 . . . . A 210 ALA HB3 . 34839 1 899 . 1 . 1 73 73 ALA C C 13 176.039 0.006 . 1 . . . . A 210 ALA C . 34839 1 900 . 1 . 1 73 73 ALA CA C 13 50.414 0.060 . 1 . . . . A 210 ALA CA . 34839 1 901 . 1 . 1 73 73 ALA CB C 13 19.877 0.017 . 1 . . . . A 210 ALA CB . 34839 1 902 . 1 . 1 73 73 ALA N N 15 121.970 0.007 . 1 . . . . A 210 ALA N . 34839 1 903 . 1 . 1 74 74 LYS H H 1 8.355 0.001 . 1 . . . . A 211 LYS H . 34839 1 904 . 1 . 1 74 74 LYS HA H 1 2.394 0.000 . 1 . . . . A 211 LYS HA . 34839 1 905 . 1 . 1 74 74 LYS HB2 H 1 1.300 0.000 . 2 . . . . A 211 LYS HB2 . 34839 1 906 . 1 . 1 74 74 LYS HB3 H 1 1.196 0.000 . 2 . . . . A 211 LYS HB3 . 34839 1 907 . 1 . 1 74 74 LYS HG2 H 1 1.014 0.000 . 2 . . . . A 211 LYS HG2 . 34839 1 908 . 1 . 1 74 74 LYS HG3 H 1 0.406 0.000 . 2 . . . . A 211 LYS HG3 . 34839 1 909 . 1 . 1 74 74 LYS HD2 H 1 1.365 0.000 . 2 . . . . A 211 LYS HD2 . 34839 1 910 . 1 . 1 74 74 LYS HD3 H 1 1.365 0.000 . 2 . . . . A 211 LYS HD3 . 34839 1 911 . 1 . 1 74 74 LYS HE2 H 1 2.586 0.000 . 2 . . . . A 211 LYS HE2 . 34839 1 912 . 1 . 1 74 74 LYS HE3 H 1 2.811 0.000 . 2 . . . . A 211 LYS HE3 . 34839 1 913 . 1 . 1 74 74 LYS C C 13 174.076 0.000 . 1 . . . . A 211 LYS C . 34839 1 914 . 1 . 1 74 74 LYS CA C 13 54.427 0.023 . 1 . . . . A 211 LYS CA . 34839 1 915 . 1 . 1 74 74 LYS CB C 13 32.308 0.008 . 1 . . . . A 211 LYS CB . 34839 1 916 . 1 . 1 74 74 LYS CG C 13 24.194 0.003 . 1 . . . . A 211 LYS CG . 34839 1 917 . 1 . 1 74 74 LYS CD C 13 28.956 0.000 . 1 . . . . A 211 LYS CD . 34839 1 918 . 1 . 1 74 74 LYS CE C 13 41.023 0.004 . 1 . . . . A 211 LYS CE . 34839 1 919 . 1 . 1 74 74 LYS N N 15 125.767 0.014 . 1 . . . . A 211 LYS N . 34839 1 920 . 1 . 1 75 75 PRO HA H 1 3.985 0.000 . 1 . . . . A 212 PRO HA . 34839 1 921 . 1 . 1 75 75 PRO HB2 H 1 1.008 0.000 . 2 . . . . A 212 PRO HB2 . 34839 1 922 . 1 . 1 75 75 PRO HB3 H 1 1.201 0.000 . 2 . . . . A 212 PRO HB3 . 34839 1 923 . 1 . 1 75 75 PRO HG2 H 1 0.265 0.000 . 2 . . . . A 212 PRO HG2 . 34839 1 924 . 1 . 1 75 75 PRO HG3 H 1 0.091 0.000 . 2 . . . . A 212 PRO HG3 . 34839 1 925 . 1 . 1 75 75 PRO HD2 H 1 2.853 0.000 . 2 . . . . A 212 PRO HD2 . 34839 1 926 . 1 . 1 75 75 PRO HD3 H 1 2.315 0.000 . 2 . . . . A 212 PRO HD3 . 34839 1 927 . 1 . 1 75 75 PRO C C 13 176.628 0.001 . 1 . . . . A 212 PRO C . 34839 1 928 . 1 . 1 75 75 PRO CA C 13 61.657 0.000 . 1 . . . . A 212 PRO CA . 34839 1 929 . 1 . 1 75 75 PRO CB C 13 31.392 0.001 . 1 . . . . A 212 PRO CB . 34839 1 930 . 1 . 1 75 75 PRO CG C 13 25.683 0.000 . 1 . . . . A 212 PRO CG . 34839 1 931 . 1 . 1 75 75 PRO CD C 13 50.848 0.005 . 1 . . . . A 212 PRO CD . 34839 1 932 . 1 . 1 76 76 LYS H H 1 8.531 0.001 . 1 . . . . A 213 LYS H . 34839 1 933 . 1 . 1 76 76 LYS HA H 1 3.830 0.000 . 1 . . . . A 213 LYS HA . 34839 1 934 . 1 . 1 76 76 LYS HB2 H 1 1.618 0.000 . 2 . . . . A 213 LYS HB2 . 34839 1 935 . 1 . 1 76 76 LYS HB3 H 1 1.746 0.000 . 2 . . . . A 213 LYS HB3 . 34839 1 936 . 1 . 1 76 76 LYS HG2 H 1 1.340 0.000 . 2 . . . . A 213 LYS HG2 . 34839 1 937 . 1 . 1 76 76 LYS HG3 H 1 1.340 0.000 . 2 . . . . A 213 LYS HG3 . 34839 1 938 . 1 . 1 76 76 LYS HD2 H 1 1.609 0.000 . 2 . . . . A 213 LYS HD2 . 34839 1 939 . 1 . 1 76 76 LYS HD3 H 1 1.520 0.000 . 2 . . . . A 213 LYS HD3 . 34839 1 940 . 1 . 1 76 76 LYS HE2 H 1 2.920 0.000 . 2 . . . . A 213 LYS HE2 . 34839 1 941 . 1 . 1 76 76 LYS HE3 H 1 2.920 0.000 . 2 . . . . A 213 LYS HE3 . 34839 1 942 . 1 . 1 76 76 LYS C C 13 177.119 0.010 . 1 . . . . A 213 LYS C . 34839 1 943 . 1 . 1 76 76 LYS CA C 13 58.533 0.067 . 1 . . . . A 213 LYS CA . 34839 1 944 . 1 . 1 76 76 LYS CB C 13 31.759 0.081 . 1 . . . . A 213 LYS CB . 34839 1 945 . 1 . 1 76 76 LYS CG C 13 24.140 0.000 . 1 . . . . A 213 LYS CG . 34839 1 946 . 1 . 1 76 76 LYS CD C 13 28.335 0.000 . 1 . . . . A 213 LYS CD . 34839 1 947 . 1 . 1 76 76 LYS CE C 13 41.599 0.000 . 1 . . . . A 213 LYS CE . 34839 1 948 . 1 . 1 76 76 LYS N N 15 126.623 0.013 . 1 . . . . A 213 LYS N . 34839 1 949 . 1 . 1 77 77 GLU H H 1 9.452 0.002 . 1 . . . . A 214 GLU H . 34839 1 950 . 1 . 1 77 77 GLU HA H 1 4.003 0.000 . 1 . . . . A 214 GLU HA . 34839 1 951 . 1 . 1 77 77 GLU HB2 H 1 1.957 0.000 . 2 . . . . A 214 GLU HB2 . 34839 1 952 . 1 . 1 77 77 GLU HB3 H 1 1.851 0.000 . 2 . . . . A 214 GLU HB3 . 34839 1 953 . 1 . 1 77 77 GLU HG2 H 1 2.425 0.000 . 2 . . . . A 214 GLU HG2 . 34839 1 954 . 1 . 1 77 77 GLU HG3 H 1 2.348 0.000 . 2 . . . . A 214 GLU HG3 . 34839 1 955 . 1 . 1 77 77 GLU C C 13 178.096 0.007 . 1 . . . . A 214 GLU C . 34839 1 956 . 1 . 1 77 77 GLU CA C 13 59.579 0.033 . 1 . . . . A 214 GLU CA . 34839 1 957 . 1 . 1 77 77 GLU CB C 13 29.542 0.020 . 1 . . . . A 214 GLU CB . 34839 1 958 . 1 . 1 77 77 GLU CG C 13 37.004 0.004 . 1 . . . . A 214 GLU CG . 34839 1 959 . 1 . 1 77 77 GLU N N 15 116.321 0.012 . 1 . . . . A 214 GLU N . 34839 1 960 . 1 . 1 78 78 LEU H H 1 6.810 0.001 . 1 . . . . A 215 LEU H . 34839 1 961 . 1 . 1 78 78 LEU HA H 1 4.337 0.000 . 1 . . . . A 215 LEU HA . 34839 1 962 . 1 . 1 78 78 LEU HB2 H 1 1.146 0.000 . 2 . . . . A 215 LEU HB2 . 34839 1 963 . 1 . 1 78 78 LEU HB3 H 1 1.432 0.000 . 2 . . . . A 215 LEU HB3 . 34839 1 964 . 1 . 1 78 78 LEU HG H 1 1.338 0.000 . 1 . . . . A 215 LEU HG . 34839 1 965 . 1 . 1 78 78 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 215 LEU HD11 . 34839 1 966 . 1 . 1 78 78 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 215 LEU HD12 . 34839 1 967 . 1 . 1 78 78 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 215 LEU HD13 . 34839 1 968 . 1 . 1 78 78 LEU HD21 H 1 0.840 0.000 . 2 . . . . A 215 LEU HD21 . 34839 1 969 . 1 . 1 78 78 LEU HD22 H 1 0.840 0.000 . 2 . . . . A 215 LEU HD22 . 34839 1 970 . 1 . 1 78 78 LEU HD23 H 1 0.840 0.000 . 2 . . . . A 215 LEU HD23 . 34839 1 971 . 1 . 1 78 78 LEU C C 13 177.517 0.007 . 1 . . . . A 215 LEU C . 34839 1 972 . 1 . 1 78 78 LEU CA C 13 55.832 0.024 . 1 . . . . A 215 LEU CA . 34839 1 973 . 1 . 1 78 78 LEU CB C 13 42.322 0.040 . 1 . . . . A 215 LEU CB . 34839 1 974 . 1 . 1 78 78 LEU CG C 13 27.260 0.000 . 1 . . . . A 215 LEU CG . 34839 1 975 . 1 . 1 78 78 LEU CD1 C 13 24.440 0.000 . 1 . . . . A 215 LEU CD1 . 34839 1 976 . 1 . 1 78 78 LEU CD2 C 13 24.640 0.000 . 1 . . . . A 215 LEU CD2 . 34839 1 977 . 1 . 1 78 78 LEU N N 15 116.104 0.031 . 1 . . . . A 215 LEU N . 34839 1 978 . 1 . 1 79 79 GLU H H 1 7.537 0.002 . 1 . . . . A 216 GLU H . 34839 1 979 . 1 . 1 79 79 GLU HA H 1 3.848 0.000 . 1 . . . . A 216 GLU HA . 34839 1 980 . 1 . 1 79 79 GLU HB2 H 1 1.841 0.000 . 2 . . . . A 216 GLU HB2 . 34839 1 981 . 1 . 1 79 79 GLU HB3 H 1 1.931 0.000 . 2 . . . . A 216 GLU HB3 . 34839 1 982 . 1 . 1 79 79 GLU HG2 H 1 2.039 0.000 . 2 . . . . A 216 GLU HG2 . 34839 1 983 . 1 . 1 79 79 GLU HG3 H 1 2.003 0.000 . 2 . . . . A 216 GLU HG3 . 34839 1 984 . 1 . 1 79 79 GLU C C 13 178.375 0.022 . 1 . . . . A 216 GLU C . 34839 1 985 . 1 . 1 79 79 GLU CA C 13 58.943 0.054 . 1 . . . . A 216 GLU CA . 34839 1 986 . 1 . 1 79 79 GLU CB C 13 29.594 0.011 . 1 . . . . A 216 GLU CB . 34839 1 987 . 1 . 1 79 79 GLU CG C 13 36.105 0.002 . 1 . . . . A 216 GLU CG . 34839 1 988 . 1 . 1 79 79 GLU N N 15 120.899 0.005 . 1 . . . . A 216 GLU N . 34839 1 989 . 1 . 1 80 80 ASP H H 1 8.549 0.001 . 1 . . . . A 217 ASP H . 34839 1 990 . 1 . 1 80 80 ASP HA H 1 4.351 0.000 . 1 . . . . A 217 ASP HA . 34839 1 991 . 1 . 1 80 80 ASP HB2 H 1 2.563 0.000 . 2 . . . . A 217 ASP HB2 . 34839 1 992 . 1 . 1 80 80 ASP HB3 H 1 2.563 0.000 . 2 . . . . A 217 ASP HB3 . 34839 1 993 . 1 . 1 80 80 ASP C C 13 177.537 0.011 . 1 . . . . A 217 ASP C . 34839 1 994 . 1 . 1 80 80 ASP CA C 13 55.898 0.021 . 1 . . . . A 217 ASP CA . 34839 1 995 . 1 . 1 80 80 ASP CB C 13 40.026 0.011 . 1 . . . . A 217 ASP CB . 34839 1 996 . 1 . 1 80 80 ASP N N 15 118.588 0.010 . 1 . . . . A 217 ASP N . 34839 1 997 . 1 . 1 81 81 LEU H H 1 7.426 0.003 . 1 . . . . A 218 LEU H . 34839 1 998 . 1 . 1 81 81 LEU HA H 1 4.204 0.000 . 1 . . . . A 218 LEU HA . 34839 1 999 . 1 . 1 81 81 LEU HB2 H 1 1.786 0.000 . 2 . . . . A 218 LEU HB2 . 34839 1 1000 . 1 . 1 81 81 LEU HB3 H 1 1.673 0.000 . 2 . . . . A 218 LEU HB3 . 34839 1 1001 . 1 . 1 81 81 LEU HG H 1 1.762 0.000 . 1 . . . . A 218 LEU HG . 34839 1 1002 . 1 . 1 81 81 LEU HD11 H 1 0.941 0.000 . 2 . . . . A 218 LEU HD11 . 34839 1 1003 . 1 . 1 81 81 LEU HD12 H 1 0.941 0.000 . 2 . . . . A 218 LEU HD12 . 34839 1 1004 . 1 . 1 81 81 LEU HD13 H 1 0.941 0.000 . 2 . . . . A 218 LEU HD13 . 34839 1 1005 . 1 . 1 81 81 LEU HD21 H 1 0.874 0.000 . 2 . . . . A 218 LEU HD21 . 34839 1 1006 . 1 . 1 81 81 LEU HD22 H 1 0.874 0.000 . 2 . . . . A 218 LEU HD22 . 34839 1 1007 . 1 . 1 81 81 LEU HD23 H 1 0.874 0.000 . 2 . . . . A 218 LEU HD23 . 34839 1 1008 . 1 . 1 81 81 LEU C C 13 178.120 0.016 . 1 . . . . A 218 LEU C . 34839 1 1009 . 1 . 1 81 81 LEU CA C 13 56.538 0.052 . 1 . . . . A 218 LEU CA . 34839 1 1010 . 1 . 1 81 81 LEU CB C 13 42.221 0.023 . 1 . . . . A 218 LEU CB . 34839 1 1011 . 1 . 1 81 81 LEU CG C 13 26.736 0.000 . 1 . . . . A 218 LEU CG . 34839 1 1012 . 1 . 1 81 81 LEU CD1 C 13 25.083 0.000 . 1 . . . . A 218 LEU CD1 . 34839 1 1013 . 1 . 1 81 81 LEU CD2 C 13 23.920 0.000 . 1 . . . . A 218 LEU CD2 . 34839 1 1014 . 1 . 1 81 81 LEU N N 15 120.707 0.055 . 1 . . . . A 218 LEU N . 34839 1 1015 . 1 . 1 82 82 GLU H H 1 8.048 0.001 . 1 . . . . A 219 GLU H . 34839 1 1016 . 1 . 1 82 82 GLU HA H 1 4.037 0.000 . 1 . . . . A 219 GLU HA . 34839 1 1017 . 1 . 1 82 82 GLU HB2 H 1 1.941 0.000 . 2 . . . . A 219 GLU HB2 . 34839 1 1018 . 1 . 1 82 82 GLU HB3 H 1 2.032 0.000 . 2 . . . . A 219 GLU HB3 . 34839 1 1019 . 1 . 1 82 82 GLU HG2 H 1 2.401 0.000 . 2 . . . . A 219 GLU HG2 . 34839 1 1020 . 1 . 1 82 82 GLU HG3 H 1 2.159 0.000 . 2 . . . . A 219 GLU HG3 . 34839 1 1021 . 1 . 1 82 82 GLU C C 13 177.831 0.019 . 1 . . . . A 219 GLU C . 34839 1 1022 . 1 . 1 82 82 GLU CA C 13 58.003 0.020 . 1 . . . . A 219 GLU CA . 34839 1 1023 . 1 . 1 82 82 GLU CB C 13 29.567 0.008 . 1 . . . . A 219 GLU CB . 34839 1 1024 . 1 . 1 82 82 GLU CG C 13 36.388 0.001 . 1 . . . . A 219 GLU CG . 34839 1 1025 . 1 . 1 82 82 GLU N N 15 119.360 0.007 . 1 . . . . A 219 GLU N . 34839 1 1026 . 1 . 1 83 83 GLY H H 1 8.012 0.004 . 1 . . . . A 220 GLY H . 34839 1 1027 . 1 . 1 83 83 GLY HA2 H 1 3.866 0.000 . 2 . . . . A 220 GLY HA2 . 34839 1 1028 . 1 . 1 83 83 GLY HA3 H 1 3.843 0.000 . 2 . . . . A 220 GLY HA3 . 34839 1 1029 . 1 . 1 83 83 GLY C C 13 174.508 0.074 . 1 . . . . A 220 GLY C . 34839 1 1030 . 1 . 1 83 83 GLY CA C 13 45.695 0.032 . 1 . . . . A 220 GLY CA . 34839 1 1031 . 1 . 1 83 83 GLY N N 15 107.312 0.015 . 1 . . . . A 220 GLY N . 34839 1 1032 . 1 . 1 84 84 TYR H H 1 7.810 0.002 . 1 . . . . A 221 TYR H . 34839 1 1033 . 1 . 1 84 84 TYR HA H 1 4.412 0.000 . 1 . . . . A 221 TYR HA . 34839 1 1034 . 1 . 1 84 84 TYR HB2 H 1 3.026 0.000 . 2 . . . . A 221 TYR HB2 . 34839 1 1035 . 1 . 1 84 84 TYR HB3 H 1 3.026 0.000 . 2 . . . . A 221 TYR HB3 . 34839 1 1036 . 1 . 1 84 84 TYR HD1 H 1 7.047 0.000 . 3 . . . . A 221 TYR HD1 . 34839 1 1037 . 1 . 1 84 84 TYR HD2 H 1 7.047 0.000 . 3 . . . . A 221 TYR HD2 . 34839 1 1038 . 1 . 1 84 84 TYR HE1 H 1 6.737 0.000 . 3 . . . . A 221 TYR HE1 . 34839 1 1039 . 1 . 1 84 84 TYR HE2 H 1 6.737 0.000 . 3 . . . . A 221 TYR HE2 . 34839 1 1040 . 1 . 1 84 84 TYR C C 13 176.247 0.013 . 1 . . . . A 221 TYR C . 34839 1 1041 . 1 . 1 84 84 TYR CA C 13 58.836 0.064 . 1 . . . . A 221 TYR CA . 34839 1 1042 . 1 . 1 84 84 TYR CB C 13 38.200 0.006 . 1 . . . . A 221 TYR CB . 34839 1 1043 . 1 . 1 84 84 TYR CD1 C 13 132.866 0.000 . 1 . . . . A 221 TYR CD1 . 34839 1 1044 . 1 . 1 84 84 TYR CD2 C 13 132.866 0.000 . 1 . . . . A 221 TYR CD2 . 34839 1 1045 . 1 . 1 84 84 TYR CE1 C 13 117.922 0.000 . 1 . . . . A 221 TYR CE1 . 34839 1 1046 . 1 . 1 84 84 TYR CE2 C 13 117.922 0.000 . 1 . . . . A 221 TYR CE2 . 34839 1 1047 . 1 . 1 84 84 TYR N N 15 120.491 0.009 . 1 . . . . A 221 TYR N . 34839 1 1048 . 1 . 1 85 85 GLN H H 1 8.164 0.001 . 1 . . . . A 222 GLN H . 34839 1 1049 . 1 . 1 85 85 GLN HA H 1 4.077 0.000 . 1 . . . . A 222 GLN HA . 34839 1 1050 . 1 . 1 85 85 GLN HB2 H 1 2.021 0.000 . 2 . . . . A 222 GLN HB2 . 34839 1 1051 . 1 . 1 85 85 GLN HB3 H 1 1.948 0.000 . 2 . . . . A 222 GLN HB3 . 34839 1 1052 . 1 . 1 85 85 GLN HG2 H 1 2.285 0.000 . 2 . . . . A 222 GLN HG2 . 34839 1 1053 . 1 . 1 85 85 GLN HG3 H 1 2.285 0.000 . 2 . . . . A 222 GLN HG3 . 34839 1 1054 . 1 . 1 85 85 GLN HE21 H 1 7.346 0.002 . 1 . . . . A 222 GLN HE21 . 34839 1 1055 . 1 . 1 85 85 GLN HE22 H 1 6.756 0.000 . 1 . . . . A 222 GLN HE22 . 34839 1 1056 . 1 . 1 85 85 GLN C C 13 175.584 0.008 . 1 . . . . A 222 GLN C . 34839 1 1057 . 1 . 1 85 85 GLN CA C 13 56.380 0.026 . 1 . . . . A 222 GLN CA . 34839 1 1058 . 1 . 1 85 85 GLN CB C 13 28.781 0.020 . 1 . . . . A 222 GLN CB . 34839 1 1059 . 1 . 1 85 85 GLN CG C 13 33.557 0.000 . 1 . . . . A 222 GLN CG . 34839 1 1060 . 1 . 1 85 85 GLN CD C 13 179.679 0.000 . 1 . . . . A 222 GLN CD . 34839 1 1061 . 1 . 1 85 85 GLN N N 15 120.336 0.015 . 1 . . . . A 222 GLN N . 34839 1 1062 . 1 . 1 85 85 GLN NE2 N 15 111.604 0.005 . 1 . . . . A 222 GLN NE2 . 34839 1 1063 . 1 . 1 86 86 ASN H H 1 8.153 0.001 . 1 . . . . A 223 ASN H . 34839 1 1064 . 1 . 1 86 86 ASN HA H 1 4.634 0.000 . 1 . . . . A 223 ASN HA . 34839 1 1065 . 1 . 1 86 86 ASN HB2 H 1 2.791 0.000 . 2 . . . . A 223 ASN HB2 . 34839 1 1066 . 1 . 1 86 86 ASN HB3 H 1 2.736 0.000 . 2 . . . . A 223 ASN HB3 . 34839 1 1067 . 1 . 1 86 86 ASN HD21 H 1 7.533 0.002 . 1 . . . . A 223 ASN HD21 . 34839 1 1068 . 1 . 1 86 86 ASN HD22 H 1 6.864 0.000 . 1 . . . . A 223 ASN HD22 . 34839 1 1069 . 1 . 1 86 86 ASN C C 13 175.141 0.073 . 1 . . . . A 223 ASN C . 34839 1 1070 . 1 . 1 86 86 ASN CA C 13 53.553 0.057 . 1 . . . . A 223 ASN CA . 34839 1 1071 . 1 . 1 86 86 ASN CB C 13 38.542 0.012 . 1 . . . . A 223 ASN CB . 34839 1 1072 . 1 . 1 86 86 ASN CG C 13 176.308 0.011 . 1 . . . . A 223 ASN CG . 34839 1 1073 . 1 . 1 86 86 ASN N N 15 118.357 0.011 . 1 . . . . A 223 ASN N . 34839 1 1074 . 1 . 1 86 86 ASN ND2 N 15 112.695 0.000 . 1 . . . . A 223 ASN ND2 . 34839 1 1075 . 1 . 1 87 87 THR H H 1 7.938 0.001 . 1 . . . . A 224 THR H . 34839 1 1076 . 1 . 1 87 87 THR HA H 1 4.221 0.000 . 1 . . . . A 224 THR HA . 34839 1 1077 . 1 . 1 87 87 THR HB H 1 4.144 0.000 . 1 . . . . A 224 THR HB . 34839 1 1078 . 1 . 1 87 87 THR HG21 H 1 1.129 0.000 . 1 . . . . A 224 THR HG21 . 34839 1 1079 . 1 . 1 87 87 THR HG22 H 1 1.129 0.000 . 1 . . . . A 224 THR HG22 . 34839 1 1080 . 1 . 1 87 87 THR HG23 H 1 1.129 0.000 . 1 . . . . A 224 THR HG23 . 34839 1 1081 . 1 . 1 87 87 THR C C 13 174.102 0.090 . 1 . . . . A 224 THR C . 34839 1 1082 . 1 . 1 87 87 THR CA C 13 62.462 0.082 . 1 . . . . A 224 THR CA . 34839 1 1083 . 1 . 1 87 87 THR CB C 13 69.461 0.035 . 1 . . . . A 224 THR CB . 34839 1 1084 . 1 . 1 87 87 THR CG2 C 13 21.320 0.000 . 1 . . . . A 224 THR CG2 . 34839 1 1085 . 1 . 1 87 87 THR N N 15 114.387 0.026 . 1 . . . . A 224 THR N . 34839 1 1086 . 1 . 1 88 88 ILE H H 1 7.936 0.001 . 1 . . . . A 225 ILE H . 34839 1 1087 . 1 . 1 88 88 ILE HA H 1 4.070 0.000 . 1 . . . . A 225 ILE HA . 34839 1 1088 . 1 . 1 88 88 ILE HB H 1 1.790 0.000 . 1 . . . . A 225 ILE HB . 34839 1 1089 . 1 . 1 88 88 ILE HG12 H 1 1.382 0.000 . 2 . . . . A 225 ILE HG12 . 34839 1 1090 . 1 . 1 88 88 ILE HG13 H 1 1.075 0.000 . 2 . . . . A 225 ILE HG13 . 34839 1 1091 . 1 . 1 88 88 ILE HG21 H 1 0.779 0.000 . 1 . . . . A 225 ILE HG21 . 34839 1 1092 . 1 . 1 88 88 ILE HG22 H 1 0.779 0.000 . 1 . . . . A 225 ILE HG22 . 34839 1 1093 . 1 . 1 88 88 ILE HG23 H 1 0.779 0.000 . 1 . . . . A 225 ILE HG23 . 34839 1 1094 . 1 . 1 88 88 ILE HD11 H 1 0.735 0.000 . 1 . . . . A 225 ILE HD11 . 34839 1 1095 . 1 . 1 88 88 ILE HD12 H 1 0.735 0.000 . 1 . . . . A 225 ILE HD12 . 34839 1 1096 . 1 . 1 88 88 ILE HD13 H 1 0.735 0.000 . 1 . . . . A 225 ILE HD13 . 34839 1 1097 . 1 . 1 88 88 ILE C C 13 176.103 0.009 . 1 . . . . A 225 ILE C . 34839 1 1098 . 1 . 1 88 88 ILE CA C 13 61.183 0.034 . 1 . . . . A 225 ILE CA . 34839 1 1099 . 1 . 1 88 88 ILE CB C 13 38.065 0.005 . 1 . . . . A 225 ILE CB . 34839 1 1100 . 1 . 1 88 88 ILE CG1 C 13 27.143 0.002 . 1 . . . . A 225 ILE CG1 . 34839 1 1101 . 1 . 1 88 88 ILE CG2 C 13 17.188 0.000 . 1 . . . . A 225 ILE CG2 . 34839 1 1102 . 1 . 1 88 88 ILE CD1 C 13 12.434 0.000 . 1 . . . . A 225 ILE CD1 . 34839 1 1103 . 1 . 1 88 88 ILE N N 15 123.325 0.003 . 1 . . . . A 225 ILE N . 34839 1 1104 . 1 . 1 89 89 VAL H H 1 8.073 0.001 . 1 . . . . A 226 VAL H . 34839 1 1105 . 1 . 1 89 89 VAL HA H 1 3.984 0.000 . 1 . . . . A 226 VAL HA . 34839 1 1106 . 1 . 1 89 89 VAL HB H 1 1.992 0.000 . 1 . . . . A 226 VAL HB . 34839 1 1107 . 1 . 1 89 89 VAL HG11 H 1 0.871 0.000 . 2 . . . . A 226 VAL HG11 . 34839 1 1108 . 1 . 1 89 89 VAL HG12 H 1 0.871 0.000 . 2 . . . . A 226 VAL HG12 . 34839 1 1109 . 1 . 1 89 89 VAL HG13 H 1 0.871 0.000 . 2 . . . . A 226 VAL HG13 . 34839 1 1110 . 1 . 1 89 89 VAL HG21 H 1 0.858 0.000 . 2 . . . . A 226 VAL HG21 . 34839 1 1111 . 1 . 1 89 89 VAL HG22 H 1 0.858 0.000 . 2 . . . . A 226 VAL HG22 . 34839 1 1112 . 1 . 1 89 89 VAL HG23 H 1 0.858 0.000 . 2 . . . . A 226 VAL HG23 . 34839 1 1113 . 1 . 1 89 89 VAL C C 13 175.729 0.007 . 1 . . . . A 226 VAL C . 34839 1 1114 . 1 . 1 89 89 VAL CA C 13 62.358 0.088 . 1 . . . . A 226 VAL CA . 34839 1 1115 . 1 . 1 89 89 VAL CB C 13 32.324 0.019 . 1 . . . . A 226 VAL CB . 34839 1 1116 . 1 . 1 89 89 VAL CG1 C 13 20.590 0.000 . 1 . . . . A 226 VAL CG1 . 34839 1 1117 . 1 . 1 89 89 VAL CG2 C 13 20.886 0.000 . 1 . . . . A 226 VAL CG2 . 34839 1 1118 . 1 . 1 89 89 VAL N N 15 124.229 0.007 . 1 . . . . A 226 VAL N . 34839 1 1119 . 1 . 1 90 90 ALA H H 1 8.305 0.001 . 1 . . . . A 227 ALA H . 34839 1 1120 . 1 . 1 90 90 ALA HA H 1 4.211 0.000 . 1 . . . . A 227 ALA HA . 34839 1 1121 . 1 . 1 90 90 ALA HB1 H 1 1.340 0.000 . 1 . . . . A 227 ALA HB1 . 34839 1 1122 . 1 . 1 90 90 ALA HB2 H 1 1.340 0.000 . 1 . . . . A 227 ALA HB2 . 34839 1 1123 . 1 . 1 90 90 ALA HB3 H 1 1.340 0.000 . 1 . . . . A 227 ALA HB3 . 34839 1 1124 . 1 . 1 90 90 ALA C C 13 177.907 0.001 . 1 . . . . A 227 ALA C . 34839 1 1125 . 1 . 1 90 90 ALA CA C 13 52.746 0.040 . 1 . . . . A 227 ALA CA . 34839 1 1126 . 1 . 1 90 90 ALA CB C 13 18.719 0.018 . 1 . . . . A 227 ALA CB . 34839 1 1127 . 1 . 1 90 90 ALA N N 15 127.802 0.004 . 1 . . . . A 227 ALA N . 34839 1 1128 . 1 . 1 91 91 GLY H H 1 8.252 0.003 . 1 . . . . A 228 GLY H . 34839 1 1129 . 1 . 1 91 91 GLY HA2 H 1 3.905 0.000 . 2 . . . . A 228 GLY HA2 . 34839 1 1130 . 1 . 1 91 91 GLY HA3 H 1 3.905 0.000 . 2 . . . . A 228 GLY HA3 . 34839 1 1131 . 1 . 1 91 91 GLY C C 13 173.924 0.005 . 1 . . . . A 228 GLY C . 34839 1 1132 . 1 . 1 91 91 GLY CA C 13 45.174 0.074 . 1 . . . . A 228 GLY CA . 34839 1 1133 . 1 . 1 91 91 GLY N N 15 107.982 0.069 . 1 . . . . A 228 GLY N . 34839 1 1134 . 1 . 1 92 92 SER H H 1 8.021 0.001 . 1 . . . . A 229 SER H . 34839 1 1135 . 1 . 1 92 92 SER HA H 1 4.385 0.000 . 1 . . . . A 229 SER HA . 34839 1 1136 . 1 . 1 92 92 SER HB2 H 1 3.802 0.000 . 2 . . . . A 229 SER HB2 . 34839 1 1137 . 1 . 1 92 92 SER HB3 H 1 3.802 0.000 . 2 . . . . A 229 SER HB3 . 34839 1 1138 . 1 . 1 92 92 SER C C 13 173.977 0.014 . 1 . . . . A 229 SER C . 34839 1 1139 . 1 . 1 92 92 SER CA C 13 58.245 0.088 . 1 . . . . A 229 SER CA . 34839 1 1140 . 1 . 1 92 92 SER CB C 13 63.706 0.059 . 1 . . . . A 229 SER CB . 34839 1 1141 . 1 . 1 92 92 SER N N 15 115.277 0.006 . 1 . . . . A 229 SER N . 34839 1 1142 . 1 . 1 93 93 LEU H H 1 8.162 0.001 . 1 . . . . A 230 LEU H . 34839 1 1143 . 1 . 1 93 93 LEU HA H 1 4.318 0.000 . 1 . . . . A 230 LEU HA . 34839 1 1144 . 1 . 1 93 93 LEU HB2 H 1 1.549 0.000 . 2 . . . . A 230 LEU HB2 . 34839 1 1145 . 1 . 1 93 93 LEU HB3 H 1 1.549 0.000 . 2 . . . . A 230 LEU HB3 . 34839 1 1146 . 1 . 1 93 93 LEU HG H 1 1.544 0.000 . 1 . . . . A 230 LEU HG . 34839 1 1147 . 1 . 1 93 93 LEU HD11 H 1 0.839 0.000 . 2 . . . . A 230 LEU HD11 . 34839 1 1148 . 1 . 1 93 93 LEU HD12 H 1 0.839 0.000 . 2 . . . . A 230 LEU HD12 . 34839 1 1149 . 1 . 1 93 93 LEU HD13 H 1 0.839 0.000 . 2 . . . . A 230 LEU HD13 . 34839 1 1150 . 1 . 1 93 93 LEU HD21 H 1 0.777 0.000 . 2 . . . . A 230 LEU HD21 . 34839 1 1151 . 1 . 1 93 93 LEU HD22 H 1 0.777 0.000 . 2 . . . . A 230 LEU HD22 . 34839 1 1152 . 1 . 1 93 93 LEU HD23 H 1 0.777 0.000 . 2 . . . . A 230 LEU HD23 . 34839 1 1153 . 1 . 1 93 93 LEU C C 13 176.812 0.006 . 1 . . . . A 230 LEU C . 34839 1 1154 . 1 . 1 93 93 LEU CA C 13 55.156 0.064 . 1 . . . . A 230 LEU CA . 34839 1 1155 . 1 . 1 93 93 LEU CB C 13 41.995 0.003 . 1 . . . . A 230 LEU CB . 34839 1 1156 . 1 . 1 93 93 LEU CG C 13 26.749 0.000 . 1 . . . . A 230 LEU CG . 34839 1 1157 . 1 . 1 93 93 LEU CD1 C 13 24.553 0.000 . 1 . . . . A 230 LEU CD1 . 34839 1 1158 . 1 . 1 93 93 LEU CD2 C 13 23.330 0.000 . 1 . . . . A 230 LEU CD2 . 34839 1 1159 . 1 . 1 93 93 LEU N N 15 123.706 0.005 . 1 . . . . A 230 LEU N . 34839 1 1160 . 1 . 1 94 94 ILE H H 1 8.006 0.001 . 1 . . . . A 231 ILE H . 34839 1 1161 . 1 . 1 94 94 ILE HA H 1 4.154 0.000 . 1 . . . . A 231 ILE HA . 34839 1 1162 . 1 . 1 94 94 ILE HB H 1 1.812 0.000 . 1 . . . . A 231 ILE HB . 34839 1 1163 . 1 . 1 94 94 ILE HG12 H 1 1.408 0.000 . 2 . . . . A 231 ILE HG12 . 34839 1 1164 . 1 . 1 94 94 ILE HG13 H 1 1.126 0.000 . 2 . . . . A 231 ILE HG13 . 34839 1 1165 . 1 . 1 94 94 ILE HG21 H 1 0.827 0.000 . 1 . . . . A 231 ILE HG21 . 34839 1 1166 . 1 . 1 94 94 ILE HG22 H 1 0.827 0.000 . 1 . . . . A 231 ILE HG22 . 34839 1 1167 . 1 . 1 94 94 ILE HG23 H 1 0.827 0.000 . 1 . . . . A 231 ILE HG23 . 34839 1 1168 . 1 . 1 94 94 ILE HD11 H 1 0.775 0.000 . 1 . . . . A 231 ILE HD11 . 34839 1 1169 . 1 . 1 94 94 ILE HD12 H 1 0.775 0.000 . 1 . . . . A 231 ILE HD12 . 34839 1 1170 . 1 . 1 94 94 ILE HD13 H 1 0.775 0.000 . 1 . . . . A 231 ILE HD13 . 34839 1 1171 . 1 . 1 94 94 ILE C C 13 175.956 0.004 . 1 . . . . A 231 ILE C . 34839 1 1172 . 1 . 1 94 94 ILE CA C 13 60.828 0.056 . 1 . . . . A 231 ILE CA . 34839 1 1173 . 1 . 1 94 94 ILE CB C 13 38.276 0.007 . 1 . . . . A 231 ILE CB . 34839 1 1174 . 1 . 1 94 94 ILE CG1 C 13 27.070 0.000 . 1 . . . . A 231 ILE CG1 . 34839 1 1175 . 1 . 1 94 94 ILE CG2 C 13 17.267 0.000 . 1 . . . . A 231 ILE CG2 . 34839 1 1176 . 1 . 1 94 94 ILE CD1 C 13 12.449 0.000 . 1 . . . . A 231 ILE CD1 . 34839 1 1177 . 1 . 1 94 94 ILE N N 15 121.733 0.005 . 1 . . . . A 231 ILE N . 34839 1 1178 . 1 . 1 95 95 THR H H 1 8.119 0.001 . 1 . . . . A 232 THR H . 34839 1 1179 . 1 . 1 95 95 THR HA H 1 4.286 0.000 . 1 . . . . A 232 THR HA . 34839 1 1180 . 1 . 1 95 95 THR HB H 1 4.119 0.000 . 1 . . . . A 232 THR HB . 34839 1 1181 . 1 . 1 95 95 THR HG21 H 1 1.129 0.000 . 1 . . . . A 232 THR HG21 . 34839 1 1182 . 1 . 1 95 95 THR HG22 H 1 1.129 0.000 . 1 . . . . A 232 THR HG22 . 34839 1 1183 . 1 . 1 95 95 THR HG23 H 1 1.129 0.000 . 1 . . . . A 232 THR HG23 . 34839 1 1184 . 1 . 1 95 95 THR C C 13 173.866 0.013 . 1 . . . . A 232 THR C . 34839 1 1185 . 1 . 1 95 95 THR CA C 13 61.435 0.046 . 1 . . . . A 232 THR CA . 34839 1 1186 . 1 . 1 95 95 THR CB C 13 69.556 0.049 . 1 . . . . A 232 THR CB . 34839 1 1187 . 1 . 1 95 95 THR CG2 C 13 21.320 0.000 . 1 . . . . A 232 THR CG2 . 34839 1 1188 . 1 . 1 95 95 THR N N 15 118.701 0.007 . 1 . . . . A 232 THR N . 34839 1 1189 . 1 . 1 96 96 LYS H H 1 8.239 0.000 . 1 . . . . A 233 LYS H . 34839 1 1190 . 1 . 1 96 96 LYS HA H 1 4.308 0.000 . 1 . . . . A 233 LYS HA . 34839 1 1191 . 1 . 1 96 96 LYS HB2 H 1 1.800 0.000 . 2 . . . . A 233 LYS HB2 . 34839 1 1192 . 1 . 1 96 96 LYS HB3 H 1 1.710 0.000 . 2 . . . . A 233 LYS HB3 . 34839 1 1193 . 1 . 1 96 96 LYS HG2 H 1 1.362 0.000 . 2 . . . . A 233 LYS HG2 . 34839 1 1194 . 1 . 1 96 96 LYS HG3 H 1 1.362 0.000 . 2 . . . . A 233 LYS HG3 . 34839 1 1195 . 1 . 1 96 96 LYS HD2 H 1 1.618 0.000 . 2 . . . . A 233 LYS HD2 . 34839 1 1196 . 1 . 1 96 96 LYS HD3 H 1 1.618 0.000 . 2 . . . . A 233 LYS HD3 . 34839 1 1197 . 1 . 1 96 96 LYS HE2 H 1 2.898 0.000 . 2 . . . . A 233 LYS HE2 . 34839 1 1198 . 1 . 1 96 96 LYS HE3 H 1 2.898 0.000 . 2 . . . . A 233 LYS HE3 . 34839 1 1199 . 1 . 1 96 96 LYS C C 13 175.866 0.005 . 1 . . . . A 233 LYS C . 34839 1 1200 . 1 . 1 96 96 LYS CA C 13 56.019 0.044 . 1 . . . . A 233 LYS CA . 34839 1 1201 . 1 . 1 96 96 LYS CB C 13 32.908 0.014 . 1 . . . . A 233 LYS CB . 34839 1 1202 . 1 . 1 96 96 LYS CG C 13 24.410 0.000 . 1 . . . . A 233 LYS CG . 34839 1 1203 . 1 . 1 96 96 LYS CD C 13 28.697 0.000 . 1 . . . . A 233 LYS CD . 34839 1 1204 . 1 . 1 96 96 LYS CE C 13 42.106 0.000 . 1 . . . . A 233 LYS CE . 34839 1 1205 . 1 . 1 96 96 LYS N N 15 123.993 0.013 . 1 . . . . A 233 LYS N . 34839 1 1206 . 1 . 1 97 97 SER H H 1 8.295 0.002 . 1 . . . . A 234 SER H . 34839 1 1207 . 1 . 1 97 97 SER HA H 1 4.379 0.000 . 1 . . . . A 234 SER HA . 34839 1 1208 . 1 . 1 97 97 SER HB2 H 1 3.785 0.000 . 2 . . . . A 234 SER HB2 . 34839 1 1209 . 1 . 1 97 97 SER HB3 H 1 3.785 0.000 . 2 . . . . A 234 SER HB3 . 34839 1 1210 . 1 . 1 97 97 SER C C 13 173.641 0.000 . 1 . . . . A 234 SER C . 34839 1 1211 . 1 . 1 97 97 SER CA C 13 58.053 0.051 . 1 . . . . A 234 SER CA . 34839 1 1212 . 1 . 1 97 97 SER CB C 13 63.642 0.068 . 1 . . . . A 234 SER CB . 34839 1 1213 . 1 . 1 97 97 SER N N 15 117.079 0.010 . 1 . . . . A 234 SER N . 34839 1 1214 . 1 . 1 98 98 ASN H H 1 8.392 0.003 . 1 . . . . A 235 ASN H . 34839 1 1215 . 1 . 1 98 98 ASN HA H 1 4.694 0.000 . 1 . . . . A 235 ASN HA . 34839 1 1216 . 1 . 1 98 98 ASN HB2 H 1 2.769 0.000 . 2 . . . . A 235 ASN HB2 . 34839 1 1217 . 1 . 1 98 98 ASN HB3 H 1 2.687 0.000 . 2 . . . . A 235 ASN HB3 . 34839 1 1218 . 1 . 1 98 98 ASN HD21 H 1 7.509 0.002 . 1 . . . . A 235 ASN HD21 . 34839 1 1219 . 1 . 1 98 98 ASN HD22 H 1 6.786 0.005 . 1 . . . . A 235 ASN HD22 . 34839 1 1220 . 1 . 1 98 98 ASN C C 13 173.550 0.004 . 1 . . . . A 235 ASN C . 34839 1 1221 . 1 . 1 98 98 ASN CA C 13 53.069 0.061 . 1 . . . . A 235 ASN CA . 34839 1 1222 . 1 . 1 98 98 ASN CB C 13 38.620 0.035 . 1 . . . . A 235 ASN CB . 34839 1 1223 . 1 . 1 98 98 ASN CG C 13 177.020 0.009 . 1 . . . . A 235 ASN CG . 34839 1 1224 . 1 . 1 98 98 ASN N N 15 121.049 0.009 . 1 . . . . A 235 ASN N . 34839 1 1225 . 1 . 1 98 98 ASN ND2 N 15 112.943 0.085 . 1 . . . . A 235 ASN ND2 . 34839 1 1226 . 1 . 1 99 99 LEU H H 1 7.723 0.003 . 1 . . . . A 236 LEU H . 34839 1 1227 . 1 . 1 99 99 LEU HA H 1 4.097 0.000 . 1 . . . . A 236 LEU HA . 34839 1 1228 . 1 . 1 99 99 LEU HB2 H 1 1.504 0.000 . 2 . . . . A 236 LEU HB2 . 34839 1 1229 . 1 . 1 99 99 LEU HB3 H 1 1.504 0.000 . 2 . . . . A 236 LEU HB3 . 34839 1 1230 . 1 . 1 99 99 LEU HG H 1 1.504 0.000 . 1 . . . . A 236 LEU HG . 34839 1 1231 . 1 . 1 99 99 LEU HD11 H 1 0.828 0.000 . 2 . . . . A 236 LEU HD11 . 34839 1 1232 . 1 . 1 99 99 LEU HD12 H 1 0.828 0.000 . 2 . . . . A 236 LEU HD12 . 34839 1 1233 . 1 . 1 99 99 LEU HD13 H 1 0.828 0.000 . 2 . . . . A 236 LEU HD13 . 34839 1 1234 . 1 . 1 99 99 LEU HD21 H 1 0.786 0.000 . 2 . . . . A 236 LEU HD21 . 34839 1 1235 . 1 . 1 99 99 LEU HD22 H 1 0.786 0.000 . 2 . . . . A 236 LEU HD22 . 34839 1 1236 . 1 . 1 99 99 LEU HD23 H 1 0.786 0.000 . 2 . . . . A 236 LEU HD23 . 34839 1 1237 . 1 . 1 99 99 LEU C C 13 181.937 0.000 . 1 . . . . A 236 LEU C . 34839 1 1238 . 1 . 1 99 99 LEU CA C 13 56.606 0.065 . 1 . . . . A 236 LEU CA . 34839 1 1239 . 1 . 1 99 99 LEU CB C 13 43.090 0.007 . 1 . . . . A 236 LEU CB . 34839 1 1240 . 1 . 1 99 99 LEU CG C 13 26.953 0.000 . 1 . . . . A 236 LEU CG . 34839 1 1241 . 1 . 1 99 99 LEU CD1 C 13 24.981 0.000 . 1 . . . . A 236 LEU CD1 . 34839 1 1242 . 1 . 1 99 99 LEU CD2 C 13 23.269 0.000 . 1 . . . . A 236 LEU CD2 . 34839 1 1243 . 1 . 1 99 99 LEU N N 15 127.372 0.009 . 1 . . . . A 236 LEU N . 34839 1 stop_ save_