data_34886 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34886 _Entry.Title ; NMR structure of PKS docking domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-01 _Entry.Accession_date 2023-12-01 _Entry.Last_release_date 2024-01-04 _Entry.Original_release_date 2024-01-04 _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. Scat S. . . . 34886 2 K. Weissman K. J. . . 34886 3 B. Chagot B. . . . 34886 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DOCKING DOMAIN' . 34886 'POLYKETIDE SYNTHASE' . 34886 'PROTEIN BINDING' . 34886 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34886 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 34886 '15N chemical shifts' 114 34886 '1H chemical shifts' 726 34886 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-05-28 . original BMRB . 34886 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8RAJ 'BMRB Entry Tracking System' 34886 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34886 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of PKS docking domains ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Scat S. . . . 34886 1 2 B. Chagot B. . . . 34886 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34886 _Assembly.ID 1 _Assembly.Name 'Beta-ketoacyl synthase, Trimethylamine monooxygenase' _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 . . . . . . 34886 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34886 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34886 _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 ; GPGSPNSYLPAENEDPDKAV VDLHRSPPKTKDPDLTPSGI IAKVKAGDMTQETARELLLA MR ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6649.496 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2217 GLY . 34886 1 2 2218 PRO . 34886 1 3 2219 GLY . 34886 1 4 2220 SER . 34886 1 5 2221 PRO . 34886 1 6 2222 ASN . 34886 1 7 2223 SER . 34886 1 8 2224 TYR . 34886 1 9 2225 LEU . 34886 1 10 2226 PRO . 34886 1 11 2227 ALA . 34886 1 12 2228 GLU . 34886 1 13 2229 ASN . 34886 1 14 2230 GLU . 34886 1 15 2231 ASP . 34886 1 16 2232 PRO . 34886 1 17 2233 ASP . 34886 1 18 2234 LYS . 34886 1 19 2235 ALA . 34886 1 20 2236 VAL . 34886 1 21 2237 VAL . 34886 1 22 2238 ASP . 34886 1 23 2239 LEU . 34886 1 24 2240 HIS . 34886 1 25 2241 ARG . 34886 1 26 2242 SER . 34886 1 27 2243 PRO . 34886 1 28 2244 PRO . 34886 1 29 2245 LYS . 34886 1 30 2246 THR . 34886 1 31 2247 LYS . 34886 1 32 2248 ASP . 34886 1 33 2249 PRO . 34886 1 34 2250 ASP . 34886 1 35 2251 LEU . 34886 1 36 2252 THR . 34886 1 37 2253 PRO . 34886 1 38 2254 SER . 34886 1 39 2255 GLY . 34886 1 40 2256 ILE . 34886 1 41 2257 ILE . 34886 1 42 2258 ALA . 34886 1 43 2259 LYS . 34886 1 44 2260 VAL . 34886 1 45 2261 LYS . 34886 1 46 2262 ALA . 34886 1 47 2263 GLY . 34886 1 48 2264 ASP . 34886 1 49 2265 MET . 34886 1 50 2266 THR . 34886 1 51 2267 GLN . 34886 1 52 2268 GLU . 34886 1 53 2269 THR . 34886 1 54 2270 ALA . 34886 1 55 2271 ARG . 34886 1 56 2272 GLU . 34886 1 57 2273 LEU . 34886 1 58 2274 LEU . 34886 1 59 2275 LEU . 34886 1 60 2276 ALA . 34886 1 61 2277 MET . 34886 1 62 2278 ARG . 34886 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 34886 1 . PRO 2 2 34886 1 . GLY 3 3 34886 1 . SER 4 4 34886 1 . PRO 5 5 34886 1 . ASN 6 6 34886 1 . SER 7 7 34886 1 . TYR 8 8 34886 1 . LEU 9 9 34886 1 . PRO 10 10 34886 1 . ALA 11 11 34886 1 . GLU 12 12 34886 1 . ASN 13 13 34886 1 . GLU 14 14 34886 1 . ASP 15 15 34886 1 . PRO 16 16 34886 1 . ASP 17 17 34886 1 . LYS 18 18 34886 1 . ALA 19 19 34886 1 . VAL 20 20 34886 1 . VAL 21 21 34886 1 . ASP 22 22 34886 1 . LEU 23 23 34886 1 . HIS 24 24 34886 1 . ARG 25 25 34886 1 . SER 26 26 34886 1 . PRO 27 27 34886 1 . PRO 28 28 34886 1 . LYS 29 29 34886 1 . THR 30 30 34886 1 . LYS 31 31 34886 1 . ASP 32 32 34886 1 . PRO 33 33 34886 1 . ASP 34 34 34886 1 . LEU 35 35 34886 1 . THR 36 36 34886 1 . PRO 37 37 34886 1 . SER 38 38 34886 1 . GLY 39 39 34886 1 . ILE 40 40 34886 1 . ILE 41 41 34886 1 . ALA 42 42 34886 1 . LYS 43 43 34886 1 . VAL 44 44 34886 1 . LYS 45 45 34886 1 . ALA 46 46 34886 1 . GLY 47 47 34886 1 . ASP 48 48 34886 1 . MET 49 49 34886 1 . THR 50 50 34886 1 . GLN 51 51 34886 1 . GLU 52 52 34886 1 . THR 53 53 34886 1 . ALA 54 54 34886 1 . ARG 55 55 34886 1 . GLU 56 56 34886 1 . LEU 57 57 34886 1 . LEU 58 58 34886 1 . LEU 59 59 34886 1 . ALA 60 60 34886 1 . MET 61 61 34886 1 . ARG 62 62 34886 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34886 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSYMTHFEDHRVGSDRLA ADGEISADEALSMLDAIGTG QSTPTGADD ; _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5027.303 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 34886 2 2 -4 PRO . 34886 2 3 -3 GLY . 34886 2 4 -2 SER . 34886 2 5 -1 TYR . 34886 2 6 1 MET . 34886 2 7 2 THR . 34886 2 8 3 HIS . 34886 2 9 4 PHE . 34886 2 10 5 GLU . 34886 2 11 6 ASP . 34886 2 12 7 HIS . 34886 2 13 8 ARG . 34886 2 14 9 VAL . 34886 2 15 10 GLY . 34886 2 16 11 SER . 34886 2 17 12 ASP . 34886 2 18 13 ARG . 34886 2 19 14 LEU . 34886 2 20 15 ALA . 34886 2 21 16 ALA . 34886 2 22 17 ASP . 34886 2 23 18 GLY . 34886 2 24 19 GLU . 34886 2 25 20 ILE . 34886 2 26 21 SER . 34886 2 27 22 ALA . 34886 2 28 23 ASP . 34886 2 29 24 GLU . 34886 2 30 25 ALA . 34886 2 31 26 LEU . 34886 2 32 27 SER . 34886 2 33 28 MET . 34886 2 34 29 LEU . 34886 2 35 30 ASP . 34886 2 36 31 ALA . 34886 2 37 32 ILE . 34886 2 38 33 GLY . 34886 2 39 34 THR . 34886 2 40 35 GLY . 34886 2 41 36 GLN . 34886 2 42 37 SER . 34886 2 43 38 THR . 34886 2 44 39 PRO . 34886 2 45 40 THR . 34886 2 46 41 GLY . 34886 2 47 42 ALA . 34886 2 48 43 ASP . 34886 2 49 44 ASP . 34886 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34886 2 . PRO 2 2 34886 2 . GLY 3 3 34886 2 . SER 4 4 34886 2 . TYR 5 5 34886 2 . MET 6 6 34886 2 . THR 7 7 34886 2 . HIS 8 8 34886 2 . PHE 9 9 34886 2 . GLU 10 10 34886 2 . ASP 11 11 34886 2 . HIS 12 12 34886 2 . ARG 13 13 34886 2 . VAL 14 14 34886 2 . GLY 15 15 34886 2 . SER 16 16 34886 2 . ASP 17 17 34886 2 . ARG 18 18 34886 2 . LEU 19 19 34886 2 . ALA 20 20 34886 2 . ALA 21 21 34886 2 . ASP 22 22 34886 2 . GLY 23 23 34886 2 . GLU 24 24 34886 2 . ILE 25 25 34886 2 . SER 26 26 34886 2 . ALA 27 27 34886 2 . ASP 28 28 34886 2 . GLU 29 29 34886 2 . ALA 30 30 34886 2 . LEU 31 31 34886 2 . SER 32 32 34886 2 . MET 33 33 34886 2 . LEU 34 34 34886 2 . ASP 35 35 34886 2 . ALA 36 36 34886 2 . ILE 37 37 34886 2 . GLY 38 38 34886 2 . THR 39 39 34886 2 . GLY 40 40 34886 2 . GLN 41 41 34886 2 . SER 42 42 34886 2 . THR 43 43 34886 2 . PRO 44 44 34886 2 . THR 45 45 34886 2 . GLY 46 46 34886 2 . ALA 47 47 34886 2 . ASP 48 48 34886 2 . ASP 49 49 34886 2 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 34886 _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 . 272630 organism . 'Methylorubrum extorquens AM1' 'Methylorubrum extorquens AM1' . . Bacteria . Methylorubrum extorquens AM1 . . . . . . . . . . MexAM1_META2p0008 . 34886 1 2 2 $entity_2 . 272630 organism . 'Methylorubrum extorquens AM1' 'Methylorubrum extorquens AM1' . . Bacteria . Methylorubrum extorquens AM1 . . . . . . . . . . MexAM1_META2p0010 . 34886 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 34886 _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' . 'pET27 derivative' 562 Escherichia coli . . . . . . pBG102 . . . 34886 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . 'pE27 derivative' 562 Escherichia coli . . . . . . pBG102 . . . 34886 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34886 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] TobC, 2 mM TobE, 100 mM sodium phosphate, 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 TobC '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34886 1 2 TobE 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 34886 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 34886 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34886 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] TobE, 2 mM TobC, 100 mM sodium phosphate, 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 TobC 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34886 2 2 TobE '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34886 2 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 34886 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 34886 _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' 100 . mM 34886 1 pH 6.5 . pH 34886 1 pressure 1 . atm 34886 1 temperature 298 . K 34886 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34886 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34886 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34886 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34886 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34886 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34886 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34886 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 34886 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34886 3 'peak picking' . 34886 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34886 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis Assign' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, and Laue ED.' . . 34886 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34886 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 34886 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34886 _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 . . . 34886 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 34886 _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-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 7 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 10 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 11 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 12 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 14 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 15 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 18 '3D CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 19 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 20 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 21 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 22 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 23 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 24 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 25 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 26 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 27 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 28 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 29 '3D HNHA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 1 30 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34886 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 34886 _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 . . . . . 34886 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34886 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34886 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 34886 _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-13C HSQC' . . . 34886 1 2 '2D 1H-15N HSQC' . . . 34886 1 3 '3D HNCA' . . . 34886 1 4 '3D HNCO' . . . 34886 1 5 '2D 1H-13C HSQC' . . . 34886 1 6 '2D 1H-15N HSQC' . . . 34886 1 7 '3D HNCA' . . . 34886 1 8 '3D HNCO' . . . 34886 1 9 '3D HNCACB' . . . 34886 1 10 '3D HNCACB' . . . 34886 1 11 '3D HN(CA)CO' . . . 34886 1 12 '3D HN(CA)CO' . . . 34886 1 13 '3D CBCA(CO)NH' . . . 34886 1 14 '3D CBCA(CO)NH' . . . 34886 1 15 '3D CCH-TOCSY' . . . 34886 1 16 '3D HCCH-TOCSY' . . . 34886 1 17 '3D HCCH-TOCSY' . . . 34886 1 18 '3D CCH-TOCSY' . . . 34886 1 19 '3D C(CO)NH' . . . 34886 1 20 '3D H(CCO)NH' . . . 34886 1 21 '3D H(CCO)NH' . . . 34886 1 22 '3D C(CO)NH' . . . 34886 1 23 '3D 1H-13C NOESY' . . . 34886 1 24 '3D 1H-13C NOESY' . . . 34886 1 25 '3D 1H-15N NOESY' . . . 34886 1 26 '3D 1H-15N NOESY' . . . 34886 1 27 '3D 1H-13C NOESY aromatic' . . . 34886 1 28 '3D 1H-13C NOESY aromatic' . . . 34886 1 29 '3D HNHA' . . . 34886 1 30 '3D HNHA' . . . 34886 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 3.937 0.000 . 2 . . . . A 2217 GLY HA2 . 34886 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.937 0.000 . 2 . . . . A 2217 GLY HA3 . 34886 1 3 . 1 . 1 1 1 GLY CA C 13 43.302 0.000 . 1 . . . . A 2217 GLY CA . 34886 1 4 . 1 . 1 2 2 PRO HA H 1 4.428 0.002 . 1 . . . . A 2218 PRO HA . 34886 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.257 0.005 . 2 . . . . A 2218 PRO HB2 . 34886 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.946 0.003 . 2 . . . . A 2218 PRO HB3 . 34886 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.986 0.004 . 2 . . . . A 2218 PRO HG2 . 34886 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.986 0.004 . 2 . . . . A 2218 PRO HG3 . 34886 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.541 0.003 . 2 . . . . A 2218 PRO HD2 . 34886 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.541 0.003 . 2 . . . . A 2218 PRO HD3 . 34886 1 11 . 1 . 1 2 2 PRO C C 13 177.425 0.000 . 1 . . . . A 2218 PRO C . 34886 1 12 . 1 . 1 2 2 PRO CA C 13 63.438 0.048 . 1 . . . . A 2218 PRO CA . 34886 1 13 . 1 . 1 2 2 PRO CB C 13 32.123 0.050 . 1 . . . . A 2218 PRO CB . 34886 1 14 . 1 . 1 2 2 PRO CG C 13 27.050 0.061 . 1 . . . . A 2218 PRO CG . 34886 1 15 . 1 . 1 2 2 PRO CD C 13 49.613 0.076 . 1 . . . . A 2218 PRO CD . 34886 1 16 . 1 . 1 3 3 GLY H H 1 8.617 0.000 . 1 . . . . A 2219 GLY H . 34886 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.930 0.002 . 2 . . . . A 2219 GLY HA2 . 34886 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.930 0.002 . 2 . . . . A 2219 GLY HA3 . 34886 1 19 . 1 . 1 3 3 GLY C C 13 173.892 0.000 . 1 . . . . A 2219 GLY C . 34886 1 20 . 1 . 1 3 3 GLY CA C 13 45.055 0.027 . 1 . . . . A 2219 GLY CA . 34886 1 21 . 1 . 1 3 3 GLY N N 15 110.084 0.000 . 1 . . . . A 2219 GLY N . 34886 1 22 . 1 . 1 4 4 SER H H 1 8.159 0.000 . 1 . . . . A 2220 SER H . 34886 1 23 . 1 . 1 4 4 SER HA H 1 4.736 0.004 . 1 . . . . A 2220 SER HA . 34886 1 24 . 1 . 1 4 4 SER HB2 H 1 3.825 0.003 . 2 . . . . A 2220 SER HB2 . 34886 1 25 . 1 . 1 4 4 SER HB3 H 1 3.825 0.003 . 2 . . . . A 2220 SER HB3 . 34886 1 26 . 1 . 1 4 4 SER C C 13 172.971 0.000 . 1 . . . . A 2220 SER C . 34886 1 27 . 1 . 1 4 4 SER CA C 13 56.446 0.084 . 1 . . . . A 2220 SER CA . 34886 1 28 . 1 . 1 4 4 SER CB C 13 63.226 0.070 . 1 . . . . A 2220 SER CB . 34886 1 29 . 1 . 1 4 4 SER N N 15 116.825 0.000 . 1 . . . . A 2220 SER N . 34886 1 30 . 1 . 1 5 5 PRO HA H 1 4.385 0.002 . 1 . . . . A 2221 PRO HA . 34886 1 31 . 1 . 1 5 5 PRO HB2 H 1 2.248 0.001 . 2 . . . . A 2221 PRO HB2 . 34886 1 32 . 1 . 1 5 5 PRO HB3 H 1 1.873 0.003 . 2 . . . . A 2221 PRO HB3 . 34886 1 33 . 1 . 1 5 5 PRO HG2 H 1 1.968 0.003 . 2 . . . . A 2221 PRO HG2 . 34886 1 34 . 1 . 1 5 5 PRO HG3 H 1 1.968 0.003 . 2 . . . . A 2221 PRO HG3 . 34886 1 35 . 1 . 1 5 5 PRO HD2 H 1 3.775 0.002 . 2 . . . . A 2221 PRO HD2 . 34886 1 36 . 1 . 1 5 5 PRO HD3 H 1 3.679 0.003 . 2 . . . . A 2221 PRO HD3 . 34886 1 37 . 1 . 1 5 5 PRO C C 13 176.780 0.000 . 1 . . . . A 2221 PRO C . 34886 1 38 . 1 . 1 5 5 PRO CA C 13 63.601 0.063 . 1 . . . . A 2221 PRO CA . 34886 1 39 . 1 . 1 5 5 PRO CB C 13 32.053 0.057 . 1 . . . . A 2221 PRO CB . 34886 1 40 . 1 . 1 5 5 PRO CG C 13 27.248 0.029 . 1 . . . . A 2221 PRO CG . 34886 1 41 . 1 . 1 5 5 PRO CD C 13 50.706 0.042 . 1 . . . . A 2221 PRO CD . 34886 1 42 . 1 . 1 6 6 ASN H H 1 8.431 0.000 . 1 . . . . A 2222 ASN H . 34886 1 43 . 1 . 1 6 6 ASN HA H 1 4.609 0.008 . 1 . . . . A 2222 ASN HA . 34886 1 44 . 1 . 1 6 6 ASN HB2 H 1 2.746 0.003 . 2 . . . . A 2222 ASN HB2 . 34886 1 45 . 1 . 1 6 6 ASN HB3 H 1 2.682 0.004 . 2 . . . . A 2222 ASN HB3 . 34886 1 46 . 1 . 1 6 6 ASN HD21 H 1 6.903 0.000 . 2 . . . . A 2222 ASN HD21 . 34886 1 47 . 1 . 1 6 6 ASN HD22 H 1 7.569 0.000 . 2 . . . . A 2222 ASN HD22 . 34886 1 48 . 1 . 1 6 6 ASN C C 13 175.168 0.000 . 1 . . . . A 2222 ASN C . 34886 1 49 . 1 . 1 6 6 ASN CA C 13 53.352 0.070 . 1 . . . . A 2222 ASN CA . 34886 1 50 . 1 . 1 6 6 ASN CB C 13 38.853 0.071 . 1 . . . . A 2222 ASN CB . 34886 1 51 . 1 . 1 6 6 ASN N N 15 118.204 0.000 . 1 . . . . A 2222 ASN N . 34886 1 52 . 1 . 1 6 6 ASN ND2 N 15 113.042 0.022 . 1 . . . . A 2222 ASN ND2 . 34886 1 53 . 1 . 1 7 7 SER H H 1 8.100 0.000 . 1 . . . . A 2223 SER H . 34886 1 54 . 1 . 1 7 7 SER HA H 1 4.340 0.002 . 1 . . . . A 2223 SER HA . 34886 1 55 . 1 . 1 7 7 SER HB2 H 1 3.745 0.002 . 2 . . . . A 2223 SER HB2 . 34886 1 56 . 1 . 1 7 7 SER HB3 H 1 3.745 0.002 . 2 . . . . A 2223 SER HB3 . 34886 1 57 . 1 . 1 7 7 SER C C 13 173.808 0.000 . 1 . . . . A 2223 SER C . 34886 1 58 . 1 . 1 7 7 SER CA C 13 58.401 0.052 . 1 . . . . A 2223 SER CA . 34886 1 59 . 1 . 1 7 7 SER CB C 13 63.822 0.025 . 1 . . . . A 2223 SER CB . 34886 1 60 . 1 . 1 7 7 SER N N 15 115.870 0.000 . 1 . . . . A 2223 SER N . 34886 1 61 . 1 . 1 8 8 TYR H H 1 8.103 0.000 . 1 . . . . A 2224 TYR H . 34886 1 62 . 1 . 1 8 8 TYR HA H 1 4.530 0.002 . 1 . . . . A 2224 TYR HA . 34886 1 63 . 1 . 1 8 8 TYR HB2 H 1 2.924 0.008 . 2 . . . . A 2224 TYR HB2 . 34886 1 64 . 1 . 1 8 8 TYR HB3 H 1 2.957 0.002 . 2 . . . . A 2224 TYR HB3 . 34886 1 65 . 1 . 1 8 8 TYR HD1 H 1 7.046 0.002 . 1 . . . . A 2224 TYR HD1 . 34886 1 66 . 1 . 1 8 8 TYR HD2 H 1 7.046 0.002 . 1 . . . . A 2224 TYR HD2 . 34886 1 67 . 1 . 1 8 8 TYR HE1 H 1 6.757 0.000 . 1 . . . . A 2224 TYR HE1 . 34886 1 68 . 1 . 1 8 8 TYR HE2 H 1 6.757 0.000 . 1 . . . . A 2224 TYR HE2 . 34886 1 69 . 1 . 1 8 8 TYR C C 13 175.011 0.000 . 1 . . . . A 2224 TYR C . 34886 1 70 . 1 . 1 8 8 TYR CA C 13 57.712 0.022 . 1 . . . . A 2224 TYR CA . 34886 1 71 . 1 . 1 8 8 TYR CB C 13 38.662 0.036 . 1 . . . . A 2224 TYR CB . 34886 1 72 . 1 . 1 8 8 TYR CD1 C 13 133.206 0.000 . 1 . . . . A 2224 TYR CD1 . 34886 1 73 . 1 . 1 8 8 TYR CE1 C 13 118.093 0.000 . 1 . . . . A 2224 TYR CE1 . 34886 1 74 . 1 . 1 8 8 TYR N N 15 121.946 0.011 . 1 . . . . A 2224 TYR N . 34886 1 75 . 1 . 1 9 9 LEU H H 1 8.006 0.000 . 1 . . . . A 2225 LEU H . 34886 1 76 . 1 . 1 9 9 LEU HA H 1 4.540 0.002 . 1 . . . . A 2225 LEU HA . 34886 1 77 . 1 . 1 9 9 LEU HB2 H 1 1.459 0.002 . 2 . . . . A 2225 LEU HB2 . 34886 1 78 . 1 . 1 9 9 LEU HB3 H 1 1.459 0.002 . 2 . . . . A 2225 LEU HB3 . 34886 1 79 . 1 . 1 9 9 LEU HG H 1 1.472 0.003 . 1 . . . . A 2225 LEU HG . 34886 1 80 . 1 . 1 9 9 LEU HD11 H 1 0.861 0.003 . 1 . . . . A 2225 LEU HD11 . 34886 1 81 . 1 . 1 9 9 LEU HD12 H 1 0.861 0.003 . 1 . . . . A 2225 LEU HD12 . 34886 1 82 . 1 . 1 9 9 LEU HD13 H 1 0.861 0.003 . 1 . . . . A 2225 LEU HD13 . 34886 1 83 . 1 . 1 9 9 LEU HD21 H 1 0.834 0.002 . 1 . . . . A 2225 LEU HD21 . 34886 1 84 . 1 . 1 9 9 LEU HD22 H 1 0.834 0.002 . 1 . . . . A 2225 LEU HD22 . 34886 1 85 . 1 . 1 9 9 LEU HD23 H 1 0.834 0.002 . 1 . . . . A 2225 LEU HD23 . 34886 1 86 . 1 . 1 9 9 LEU C C 13 174.439 0.000 . 1 . . . . A 2225 LEU C . 34886 1 87 . 1 . 1 9 9 LEU CA C 13 52.494 0.036 . 1 . . . . A 2225 LEU CA . 34886 1 88 . 1 . 1 9 9 LEU CB C 13 42.134 0.044 . 1 . . . . A 2225 LEU CB . 34886 1 89 . 1 . 1 9 9 LEU CG C 13 26.771 0.050 . 1 . . . . A 2225 LEU CG . 34886 1 90 . 1 . 1 9 9 LEU CD1 C 13 25.176 0.093 . 1 . . . . A 2225 LEU CD1 . 34886 1 91 . 1 . 1 9 9 LEU CD2 C 13 23.480 0.074 . 1 . . . . A 2225 LEU CD2 . 34886 1 92 . 1 . 1 9 9 LEU N N 15 126.005 0.009 . 1 . . . . A 2225 LEU N . 34886 1 93 . 1 . 1 10 10 PRO HA H 1 4.276 0.003 . 1 . . . . A 2226 PRO HA . 34886 1 94 . 1 . 1 10 10 PRO HB2 H 1 2.245 0.002 . 2 . . . . A 2226 PRO HB2 . 34886 1 95 . 1 . 1 10 10 PRO HB3 H 1 1.866 0.003 . 2 . . . . A 2226 PRO HB3 . 34886 1 96 . 1 . 1 10 10 PRO HG2 H 1 1.963 0.006 . 2 . . . . A 2226 PRO HG2 . 34886 1 97 . 1 . 1 10 10 PRO HG3 H 1 1.963 0.006 . 2 . . . . A 2226 PRO HG3 . 34886 1 98 . 1 . 1 10 10 PRO HD2 H 1 3.540 0.002 . 2 . . . . A 2226 PRO HD2 . 34886 1 99 . 1 . 1 10 10 PRO HD3 H 1 3.627 0.002 . 2 . . . . A 2226 PRO HD3 . 34886 1 100 . 1 . 1 10 10 PRO C C 13 176.655 0.000 . 1 . . . . A 2226 PRO C . 34886 1 101 . 1 . 1 10 10 PRO CA C 13 62.970 0.087 . 1 . . . . A 2226 PRO CA . 34886 1 102 . 1 . 1 10 10 PRO CB C 13 32.025 0.044 . 1 . . . . A 2226 PRO CB . 34886 1 103 . 1 . 1 10 10 PRO CG C 13 27.275 0.043 . 1 . . . . A 2226 PRO CG . 34886 1 104 . 1 . 1 10 10 PRO CD C 13 50.515 0.093 . 1 . . . . A 2226 PRO CD . 34886 1 105 . 1 . 1 11 11 ALA H H 1 8.349 0.000 . 1 . . . . A 2227 ALA H . 34886 1 106 . 1 . 1 11 11 ALA HA H 1 4.232 0.004 . 1 . . . . A 2227 ALA HA . 34886 1 107 . 1 . 1 11 11 ALA HB1 H 1 1.341 0.003 . 1 . . . . A 2227 ALA HB1 . 34886 1 108 . 1 . 1 11 11 ALA HB2 H 1 1.341 0.003 . 1 . . . . A 2227 ALA HB2 . 34886 1 109 . 1 . 1 11 11 ALA HB3 H 1 1.341 0.003 . 1 . . . . A 2227 ALA HB3 . 34886 1 110 . 1 . 1 11 11 ALA C C 13 177.896 0.000 . 1 . . . . A 2227 ALA C . 34886 1 111 . 1 . 1 11 11 ALA CA C 13 52.412 0.042 . 1 . . . . A 2227 ALA CA . 34886 1 112 . 1 . 1 11 11 ALA CB C 13 19.262 0.085 . 1 . . . . A 2227 ALA CB . 34886 1 113 . 1 . 1 11 11 ALA N N 15 124.117 0.000 . 1 . . . . A 2227 ALA N . 34886 1 114 . 1 . 1 12 12 GLU H H 1 8.389 0.000 . 1 . . . . A 2228 GLU H . 34886 1 115 . 1 . 1 12 12 GLU HA H 1 4.190 0.002 . 1 . . . . A 2228 GLU HA . 34886 1 116 . 1 . 1 12 12 GLU HB2 H 1 1.883 0.005 . 2 . . . . A 2228 GLU HB2 . 34886 1 117 . 1 . 1 12 12 GLU HB3 H 1 1.982 0.004 . 2 . . . . A 2228 GLU HB3 . 34886 1 118 . 1 . 1 12 12 GLU HG2 H 1 2.207 0.003 . 2 . . . . A 2228 GLU HG2 . 34886 1 119 . 1 . 1 12 12 GLU HG3 H 1 2.207 0.003 . 2 . . . . A 2228 GLU HG3 . 34886 1 120 . 1 . 1 12 12 GLU C C 13 176.246 0.000 . 1 . . . . A 2228 GLU C . 34886 1 121 . 1 . 1 12 12 GLU CA C 13 56.760 0.052 . 1 . . . . A 2228 GLU CA . 34886 1 122 . 1 . 1 12 12 GLU CB C 13 30.262 0.078 . 1 . . . . A 2228 GLU CB . 34886 1 123 . 1 . 1 12 12 GLU CG C 13 36.212 0.031 . 1 . . . . A 2228 GLU CG . 34886 1 124 . 1 . 1 12 12 GLU N N 15 119.888 0.000 . 1 . . . . A 2228 GLU N . 34886 1 125 . 1 . 1 13 13 ASN H H 1 8.370 0.000 . 1 . . . . A 2229 ASN H . 34886 1 126 . 1 . 1 13 13 ASN HA H 1 4.620 0.008 . 1 . . . . A 2229 ASN HA . 34886 1 127 . 1 . 1 13 13 ASN HB2 H 1 2.748 0.005 . 2 . . . . A 2229 ASN HB2 . 34886 1 128 . 1 . 1 13 13 ASN HB3 H 1 2.694 0.003 . 2 . . . . A 2229 ASN HB3 . 34886 1 129 . 1 . 1 13 13 ASN HD21 H 1 6.890 0.000 . 2 . . . . A 2229 ASN HD21 . 34886 1 130 . 1 . 1 13 13 ASN HD22 H 1 7.570 0.000 . 2 . . . . A 2229 ASN HD22 . 34886 1 131 . 1 . 1 13 13 ASN C C 13 174.866 0.000 . 1 . . . . A 2229 ASN C . 34886 1 132 . 1 . 1 13 13 ASN CA C 13 53.360 0.037 . 1 . . . . A 2229 ASN CA . 34886 1 133 . 1 . 1 13 13 ASN CB C 13 39.123 0.069 . 1 . . . . A 2229 ASN CB . 34886 1 134 . 1 . 1 13 13 ASN N N 15 118.760 0.000 . 1 . . . . A 2229 ASN N . 34886 1 135 . 1 . 1 13 13 ASN ND2 N 15 113.085 0.014 . 1 . . . . A 2229 ASN ND2 . 34886 1 136 . 1 . 1 14 14 GLU H H 1 8.249 0.000 . 1 . . . . A 2230 GLU H . 34886 1 137 . 1 . 1 14 14 GLU HA H 1 4.224 0.002 . 1 . . . . A 2230 GLU HA . 34886 1 138 . 1 . 1 14 14 GLU HB2 H 1 1.852 0.004 . 2 . . . . A 2230 GLU HB2 . 34886 1 139 . 1 . 1 14 14 GLU HB3 H 1 1.976 0.004 . 2 . . . . A 2230 GLU HB3 . 34886 1 140 . 1 . 1 14 14 GLU HG2 H 1 2.143 0.003 . 2 . . . . A 2230 GLU HG2 . 34886 1 141 . 1 . 1 14 14 GLU HG3 H 1 2.202 0.002 . 2 . . . . A 2230 GLU HG3 . 34886 1 142 . 1 . 1 14 14 GLU C C 13 175.726 0.000 . 1 . . . . A 2230 GLU C . 34886 1 143 . 1 . 1 14 14 GLU CA C 13 56.286 0.016 . 1 . . . . A 2230 GLU CA . 34886 1 144 . 1 . 1 14 14 GLU CB C 13 30.546 0.089 . 1 . . . . A 2230 GLU CB . 34886 1 145 . 1 . 1 14 14 GLU CG C 13 36.246 0.040 . 1 . . . . A 2230 GLU CG . 34886 1 146 . 1 . 1 14 14 GLU N N 15 121.228 0.011 . 1 . . . . A 2230 GLU N . 34886 1 147 . 1 . 1 15 15 ASP H H 1 8.394 0.000 . 1 . . . . A 2231 ASP H . 34886 1 148 . 1 . 1 15 15 ASP HA H 1 4.800 0.003 . 1 . . . . A 2231 ASP HA . 34886 1 149 . 1 . 1 15 15 ASP HB2 H 1 2.727 0.001 . 2 . . . . A 2231 ASP HB2 . 34886 1 150 . 1 . 1 15 15 ASP HB3 H 1 2.518 0.004 . 2 . . . . A 2231 ASP HB3 . 34886 1 151 . 1 . 1 15 15 ASP C C 13 175.163 0.000 . 1 . . . . A 2231 ASP C . 34886 1 152 . 1 . 1 15 15 ASP CA C 13 52.031 0.055 . 1 . . . . A 2231 ASP CA . 34886 1 153 . 1 . 1 15 15 ASP CB C 13 41.258 0.078 . 1 . . . . A 2231 ASP CB . 34886 1 154 . 1 . 1 15 15 ASP N N 15 123.142 0.016 . 1 . . . . A 2231 ASP N . 34886 1 155 . 1 . 1 16 16 PRO HA H 1 4.337 0.002 . 1 . . . . A 2232 PRO HA . 34886 1 156 . 1 . 1 16 16 PRO HB2 H 1 1.925 0.008 . 2 . . . . A 2232 PRO HB2 . 34886 1 157 . 1 . 1 16 16 PRO HB3 H 1 2.249 0.003 . 2 . . . . A 2232 PRO HB3 . 34886 1 158 . 1 . 1 16 16 PRO HG2 H 1 1.959 0.005 . 2 . . . . A 2232 PRO HG2 . 34886 1 159 . 1 . 1 16 16 PRO HG3 H 1 1.959 0.005 . 2 . . . . A 2232 PRO HG3 . 34886 1 160 . 1 . 1 16 16 PRO HD2 H 1 3.808 0.006 . 2 . . . . A 2232 PRO HD2 . 34886 1 161 . 1 . 1 16 16 PRO HD3 H 1 3.808 0.006 . 2 . . . . A 2232 PRO HD3 . 34886 1 162 . 1 . 1 16 16 PRO C C 13 177.305 0.000 . 1 . . . . A 2232 PRO C . 34886 1 163 . 1 . 1 16 16 PRO CA C 13 63.868 0.072 . 1 . . . . A 2232 PRO CA . 34886 1 164 . 1 . 1 16 16 PRO CB C 13 32.105 0.049 . 1 . . . . A 2232 PRO CB . 34886 1 165 . 1 . 1 16 16 PRO CG C 13 27.053 0.022 . 1 . . . . A 2232 PRO CG . 34886 1 166 . 1 . 1 16 16 PRO CD C 13 50.875 0.067 . 1 . . . . A 2232 PRO CD . 34886 1 167 . 1 . 1 17 17 ASP H H 1 8.348 0.000 . 1 . . . . A 2233 ASP H . 34886 1 168 . 1 . 1 17 17 ASP HA H 1 4.544 0.002 . 1 . . . . A 2233 ASP HA . 34886 1 169 . 1 . 1 17 17 ASP HB2 H 1 2.674 0.003 . 2 . . . . A 2233 ASP HB2 . 34886 1 170 . 1 . 1 17 17 ASP HB3 H 1 2.584 0.004 . 2 . . . . A 2233 ASP HB3 . 34886 1 171 . 1 . 1 17 17 ASP C C 13 176.570 0.000 . 1 . . . . A 2233 ASP C . 34886 1 172 . 1 . 1 17 17 ASP CA C 13 54.807 0.048 . 1 . . . . A 2233 ASP CA . 34886 1 173 . 1 . 1 17 17 ASP CB C 13 40.917 0.036 . 1 . . . . A 2233 ASP CB . 34886 1 174 . 1 . 1 17 17 ASP N N 15 118.781 0.000 . 1 . . . . A 2233 ASP N . 34886 1 175 . 1 . 1 18 18 LYS H H 1 7.770 0.000 . 1 . . . . A 2234 LYS H . 34886 1 176 . 1 . 1 18 18 LYS HA H 1 4.176 0.003 . 1 . . . . A 2234 LYS HA . 34886 1 177 . 1 . 1 18 18 LYS HB2 H 1 1.726 0.002 . 2 . . . . A 2234 LYS HB2 . 34886 1 178 . 1 . 1 18 18 LYS HB3 H 1 1.827 0.001 . 2 . . . . A 2234 LYS HB3 . 34886 1 179 . 1 . 1 18 18 LYS HG2 H 1 1.363 0.006 . 2 . . . . A 2234 LYS HG2 . 34886 1 180 . 1 . 1 18 18 LYS HG3 H 1 1.363 0.006 . 2 . . . . A 2234 LYS HG3 . 34886 1 181 . 1 . 1 18 18 LYS HD2 H 1 1.635 0.003 . 2 . . . . A 2234 LYS HD2 . 34886 1 182 . 1 . 1 18 18 LYS HD3 H 1 1.635 0.003 . 2 . . . . A 2234 LYS HD3 . 34886 1 183 . 1 . 1 18 18 LYS HE2 H 1 2.954 0.002 . 2 . . . . A 2234 LYS HE2 . 34886 1 184 . 1 . 1 18 18 LYS HE3 H 1 2.954 0.002 . 2 . . . . A 2234 LYS HE3 . 34886 1 185 . 1 . 1 18 18 LYS C C 13 176.283 0.000 . 1 . . . . A 2234 LYS C . 34886 1 186 . 1 . 1 18 18 LYS CA C 13 56.469 0.090 . 1 . . . . A 2234 LYS CA . 34886 1 187 . 1 . 1 18 18 LYS CB C 13 32.832 0.080 . 1 . . . . A 2234 LYS CB . 34886 1 188 . 1 . 1 18 18 LYS CG C 13 24.727 0.076 . 1 . . . . A 2234 LYS CG . 34886 1 189 . 1 . 1 18 18 LYS CD C 13 29.053 0.016 . 1 . . . . A 2234 LYS CD . 34886 1 190 . 1 . 1 18 18 LYS CE C 13 42.135 0.043 . 1 . . . . A 2234 LYS CE . 34886 1 191 . 1 . 1 18 18 LYS N N 15 120.876 0.000 . 1 . . . . A 2234 LYS N . 34886 1 192 . 1 . 1 19 19 ALA H H 1 8.067 0.000 . 1 . . . . A 2235 ALA H . 34886 1 193 . 1 . 1 19 19 ALA HA H 1 4.238 0.003 . 1 . . . . A 2235 ALA HA . 34886 1 194 . 1 . 1 19 19 ALA HB1 H 1 1.330 0.005 . 1 . . . . A 2235 ALA HB1 . 34886 1 195 . 1 . 1 19 19 ALA HB2 H 1 1.330 0.005 . 1 . . . . A 2235 ALA HB2 . 34886 1 196 . 1 . 1 19 19 ALA HB3 H 1 1.330 0.005 . 1 . . . . A 2235 ALA HB3 . 34886 1 197 . 1 . 1 19 19 ALA C C 13 177.796 0.000 . 1 . . . . A 2235 ALA C . 34886 1 198 . 1 . 1 19 19 ALA CA C 13 52.743 0.040 . 1 . . . . A 2235 ALA CA . 34886 1 199 . 1 . 1 19 19 ALA CB C 13 19.162 0.048 . 1 . . . . A 2235 ALA CB . 34886 1 200 . 1 . 1 19 19 ALA N N 15 124.204 0.000 . 1 . . . . A 2235 ALA N . 34886 1 201 . 1 . 1 20 20 VAL H H 1 8.003 0.000 . 1 . . . . A 2236 VAL H . 34886 1 202 . 1 . 1 20 20 VAL HA H 1 4.009 0.002 . 1 . . . . A 2236 VAL HA . 34886 1 203 . 1 . 1 20 20 VAL HB H 1 2.023 0.002 . 1 . . . . A 2236 VAL HB . 34886 1 204 . 1 . 1 20 20 VAL HG11 H 1 0.873 0.002 . 1 . . . . A 2236 VAL HG11 . 34886 1 205 . 1 . 1 20 20 VAL HG12 H 1 0.873 0.002 . 1 . . . . A 2236 VAL HG12 . 34886 1 206 . 1 . 1 20 20 VAL HG13 H 1 0.873 0.002 . 1 . . . . A 2236 VAL HG13 . 34886 1 207 . 1 . 1 20 20 VAL HG21 H 1 0.909 0.001 . 1 . . . . A 2236 VAL HG21 . 34886 1 208 . 1 . 1 20 20 VAL HG22 H 1 0.909 0.001 . 1 . . . . A 2236 VAL HG22 . 34886 1 209 . 1 . 1 20 20 VAL HG23 H 1 0.909 0.001 . 1 . . . . A 2236 VAL HG23 . 34886 1 210 . 1 . 1 20 20 VAL C C 13 176.373 0.000 . 1 . . . . A 2236 VAL C . 34886 1 211 . 1 . 1 20 20 VAL CA C 13 62.595 0.060 . 1 . . . . A 2236 VAL CA . 34886 1 212 . 1 . 1 20 20 VAL CB C 13 32.620 0.069 . 1 . . . . A 2236 VAL CB . 34886 1 213 . 1 . 1 20 20 VAL CG1 C 13 21.236 0.060 . 1 . . . . A 2236 VAL CG1 . 34886 1 214 . 1 . 1 20 20 VAL CG2 C 13 20.756 0.010 . 1 . . . . A 2236 VAL CG2 . 34886 1 215 . 1 . 1 20 20 VAL N N 15 119.634 0.000 . 1 . . . . A 2236 VAL N . 34886 1 216 . 1 . 1 21 21 VAL H H 1 8.079 0.000 . 1 . . . . A 2237 VAL H . 34886 1 217 . 1 . 1 21 21 VAL HA H 1 4.002 0.003 . 1 . . . . A 2237 VAL HA . 34886 1 218 . 1 . 1 21 21 VAL HB H 1 1.984 0.001 . 1 . . . . A 2237 VAL HB . 34886 1 219 . 1 . 1 21 21 VAL HG11 H 1 0.846 0.001 . 2 . . . . A 2237 VAL HG11 . 34886 1 220 . 1 . 1 21 21 VAL HG12 H 1 0.846 0.001 . 2 . . . . A 2237 VAL HG12 . 34886 1 221 . 1 . 1 21 21 VAL HG13 H 1 0.846 0.001 . 2 . . . . A 2237 VAL HG13 . 34886 1 222 . 1 . 1 21 21 VAL HG21 H 1 0.874 0.001 . 2 . . . . A 2237 VAL HG21 . 34886 1 223 . 1 . 1 21 21 VAL HG22 H 1 0.874 0.001 . 2 . . . . A 2237 VAL HG22 . 34886 1 224 . 1 . 1 21 21 VAL HG23 H 1 0.874 0.001 . 2 . . . . A 2237 VAL HG23 . 34886 1 225 . 1 . 1 21 21 VAL C C 13 175.668 0.000 . 1 . . . . A 2237 VAL C . 34886 1 226 . 1 . 1 21 21 VAL CA C 13 62.525 0.048 . 1 . . . . A 2237 VAL CA . 34886 1 227 . 1 . 1 21 21 VAL CB C 13 32.808 0.043 . 1 . . . . A 2237 VAL CB . 34886 1 228 . 1 . 1 21 21 VAL CG1 C 13 20.911 0.047 . 1 . . . . A 2237 VAL CG1 . 34886 1 229 . 1 . 1 21 21 VAL CG2 C 13 20.644 0.000 . 1 . . . . A 2237 VAL CG2 . 34886 1 230 . 1 . 1 21 21 VAL N N 15 123.874 0.012 . 1 . . . . A 2237 VAL N . 34886 1 231 . 1 . 1 22 22 ASP H H 1 8.338 0.000 . 1 . . . . A 2238 ASP H . 34886 1 232 . 1 . 1 22 22 ASP HA H 1 4.545 0.005 . 1 . . . . A 2238 ASP HA . 34886 1 233 . 1 . 1 22 22 ASP HB2 H 1 2.667 0.002 . 2 . . . . A 2238 ASP HB2 . 34886 1 234 . 1 . 1 22 22 ASP HB3 H 1 2.516 0.001 . 2 . . . . A 2238 ASP HB3 . 34886 1 235 . 1 . 1 22 22 ASP C C 13 176.661 0.000 . 1 . . . . A 2238 ASP C . 34886 1 236 . 1 . 1 22 22 ASP CA C 13 53.993 0.075 . 1 . . . . A 2238 ASP CA . 34886 1 237 . 1 . 1 22 22 ASP CB C 13 41.203 0.045 . 1 . . . . A 2238 ASP CB . 34886 1 238 . 1 . 1 22 22 ASP N N 15 124.112 0.000 . 1 . . . . A 2238 ASP N . 34886 1 239 . 1 . 1 23 23 LEU H H 1 8.209 0.000 . 1 . . . . A 2239 LEU H . 34886 1 240 . 1 . 1 23 23 LEU HA H 1 4.163 0.002 . 1 . . . . A 2239 LEU HA . 34886 1 241 . 1 . 1 23 23 LEU HB2 H 1 1.438 0.006 . 2 . . . . A 2239 LEU HB2 . 34886 1 242 . 1 . 1 23 23 LEU HB3 H 1 1.482 0.003 . 2 . . . . A 2239 LEU HB3 . 34886 1 243 . 1 . 1 23 23 LEU HG H 1 1.501 0.001 . 1 . . . . A 2239 LEU HG . 34886 1 244 . 1 . 1 23 23 LEU HD11 H 1 0.831 0.002 . 1 . . . . A 2239 LEU HD11 . 34886 1 245 . 1 . 1 23 23 LEU HD12 H 1 0.831 0.002 . 1 . . . . A 2239 LEU HD12 . 34886 1 246 . 1 . 1 23 23 LEU HD13 H 1 0.831 0.002 . 1 . . . . A 2239 LEU HD13 . 34886 1 247 . 1 . 1 23 23 LEU HD21 H 1 0.766 0.002 . 1 . . . . A 2239 LEU HD21 . 34886 1 248 . 1 . 1 23 23 LEU HD22 H 1 0.766 0.002 . 1 . . . . A 2239 LEU HD22 . 34886 1 249 . 1 . 1 23 23 LEU HD23 H 1 0.766 0.002 . 1 . . . . A 2239 LEU HD23 . 34886 1 250 . 1 . 1 23 23 LEU C C 13 177.505 0.000 . 1 . . . . A 2239 LEU C . 34886 1 251 . 1 . 1 23 23 LEU CA C 13 55.563 0.040 . 1 . . . . A 2239 LEU CA . 34886 1 252 . 1 . 1 23 23 LEU CB C 13 42.083 0.092 . 1 . . . . A 2239 LEU CB . 34886 1 253 . 1 . 1 23 23 LEU CG C 13 26.783 0.077 . 1 . . . . A 2239 LEU CG . 34886 1 254 . 1 . 1 23 23 LEU CD1 C 13 24.826 0.040 . 1 . . . . A 2239 LEU CD1 . 34886 1 255 . 1 . 1 23 23 LEU CD2 C 13 23.167 0.100 . 1 . . . . A 2239 LEU CD2 . 34886 1 256 . 1 . 1 23 23 LEU N N 15 123.564 0.000 . 1 . . . . A 2239 LEU N . 34886 1 257 . 1 . 1 24 24 HIS H H 1 8.435 0.000 . 1 . . . . A 2240 HIS H . 34886 1 258 . 1 . 1 24 24 HIS HA H 1 4.564 0.001 . 1 . . . . A 2240 HIS HA . 34886 1 259 . 1 . 1 24 24 HIS HB2 H 1 3.217 0.004 . 2 . . . . A 2240 HIS HB2 . 34886 1 260 . 1 . 1 24 24 HIS HB3 H 1 3.123 0.003 . 2 . . . . A 2240 HIS HB3 . 34886 1 261 . 1 . 1 24 24 HIS HD2 H 1 7.137 0.002 . 1 . . . . A 2240 HIS HD2 . 34886 1 262 . 1 . 1 24 24 HIS HE1 H 1 8.275 0.001 . 1 . . . . A 2240 HIS HE1 . 34886 1 263 . 1 . 1 24 24 HIS C C 13 174.766 0.000 . 1 . . . . A 2240 HIS C . 34886 1 264 . 1 . 1 24 24 HIS CA C 13 55.893 0.025 . 1 . . . . A 2240 HIS CA . 34886 1 265 . 1 . 1 24 24 HIS CB C 13 28.928 0.046 . 1 . . . . A 2240 HIS CB . 34886 1 266 . 1 . 1 24 24 HIS CD2 C 13 119.967 0.000 . 1 . . . . A 2240 HIS CD2 . 34886 1 267 . 1 . 1 24 24 HIS CE1 C 13 136.922 0.000 . 1 . . . . A 2240 HIS CE1 . 34886 1 268 . 1 . 1 24 24 HIS N N 15 118.206 0.000 . 1 . . . . A 2240 HIS N . 34886 1 269 . 1 . 1 24 24 HIS ND1 N 15 191.440 0.030 . 1 . . . . A 2240 HIS ND1 . 34886 1 270 . 1 . 1 24 24 HIS NE2 N 15 176.374 0.006 . 1 . . . . A 2240 HIS NE2 . 34886 1 271 . 1 . 1 25 25 ARG H H 1 8.085 0.000 . 1 . . . . A 2241 ARG H . 34886 1 272 . 1 . 1 25 25 ARG HA H 1 4.307 0.004 . 1 . . . . A 2241 ARG HA . 34886 1 273 . 1 . 1 25 25 ARG HB2 H 1 1.800 0.002 . 2 . . . . A 2241 ARG HB2 . 34886 1 274 . 1 . 1 25 25 ARG HB3 H 1 1.695 0.003 . 2 . . . . A 2241 ARG HB3 . 34886 1 275 . 1 . 1 25 25 ARG HG2 H 1 1.549 0.003 . 2 . . . . A 2241 ARG HG2 . 34886 1 276 . 1 . 1 25 25 ARG HG3 H 1 1.549 0.003 . 2 . . . . A 2241 ARG HG3 . 34886 1 277 . 1 . 1 25 25 ARG HD2 H 1 3.138 0.001 . 2 . . . . A 2241 ARG HD2 . 34886 1 278 . 1 . 1 25 25 ARG HD3 H 1 3.138 0.001 . 2 . . . . A 2241 ARG HD3 . 34886 1 279 . 1 . 1 25 25 ARG HE H 1 7.242 0.002 . 1 . . . . A 2241 ARG HE . 34886 1 280 . 1 . 1 25 25 ARG C C 13 176.035 0.000 . 1 . . . . A 2241 ARG C . 34886 1 281 . 1 . 1 25 25 ARG CA C 13 55.990 0.044 . 1 . . . . A 2241 ARG CA . 34886 1 282 . 1 . 1 25 25 ARG CB C 13 30.963 0.051 . 1 . . . . A 2241 ARG CB . 34886 1 283 . 1 . 1 25 25 ARG CG C 13 26.980 0.052 . 1 . . . . A 2241 ARG CG . 34886 1 284 . 1 . 1 25 25 ARG CD C 13 43.342 0.037 . 1 . . . . A 2241 ARG CD . 34886 1 285 . 1 . 1 25 25 ARG CZ C 13 159.556 0.000 . 1 . . . . A 2241 ARG CZ . 34886 1 286 . 1 . 1 25 25 ARG N N 15 121.438 0.000 . 1 . . . . A 2241 ARG N . 34886 1 287 . 1 . 1 25 25 ARG NE N 15 84.703 0.001 . 1 . . . . A 2241 ARG NE . 34886 1 288 . 1 . 1 26 26 SER H H 1 8.381 0.003 . 1 . . . . A 2242 SER H . 34886 1 289 . 1 . 1 26 26 SER HA H 1 4.691 0.001 . 1 . . . . A 2242 SER HA . 34886 1 290 . 1 . 1 26 26 SER HB2 H 1 3.840 0.003 . 2 . . . . A 2242 SER HB2 . 34886 1 291 . 1 . 1 26 26 SER HB3 H 1 3.720 0.002 . 2 . . . . A 2242 SER HB3 . 34886 1 292 . 1 . 1 26 26 SER C C 13 180.896 0.000 . 1 . . . . A 2242 SER C . 34886 1 293 . 1 . 1 26 26 SER CA C 13 56.612 0.031 . 1 . . . . A 2242 SER CA . 34886 1 294 . 1 . 1 26 26 SER CB C 13 63.086 0.050 . 1 . . . . A 2242 SER CB . 34886 1 295 . 1 . 1 26 26 SER N N 15 118.892 0.000 . 1 . . . . A 2242 SER N . 34886 1 296 . 1 . 1 27 27 PRO HA H 1 4.649 0.002 . 1 . . . . A 2243 PRO HA . 34886 1 297 . 1 . 1 27 27 PRO HB2 H 1 2.314 0.002 . 2 . . . . A 2243 PRO HB2 . 34886 1 298 . 1 . 1 27 27 PRO HB3 H 1 1.846 0.003 . 2 . . . . A 2243 PRO HB3 . 34886 1 299 . 1 . 1 27 27 PRO HG2 H 1 1.993 0.003 . 2 . . . . A 2243 PRO HG2 . 34886 1 300 . 1 . 1 27 27 PRO HG3 H 1 1.993 0.003 . 2 . . . . A 2243 PRO HG3 . 34886 1 301 . 1 . 1 27 27 PRO HD2 H 1 3.789 0.001 . 2 . . . . A 2243 PRO HD2 . 34886 1 302 . 1 . 1 27 27 PRO HD3 H 1 3.635 0.000 . 2 . . . . A 2243 PRO HD3 . 34886 1 303 . 1 . 1 27 27 PRO CA C 13 61.630 0.032 . 1 . . . . A 2243 PRO CA . 34886 1 304 . 1 . 1 27 27 PRO CB C 13 30.801 0.076 . 1 . . . . A 2243 PRO CB . 34886 1 305 . 1 . 1 27 27 PRO CG C 13 27.313 0.036 . 1 . . . . A 2243 PRO CG . 34886 1 306 . 1 . 1 27 27 PRO CD C 13 50.695 0.036 . 1 . . . . A 2243 PRO CD . 34886 1 307 . 1 . 1 28 28 PRO HA H 1 4.368 0.002 . 1 . . . . A 2244 PRO HA . 34886 1 308 . 1 . 1 28 28 PRO HB2 H 1 1.841 0.001 . 2 . . . . A 2244 PRO HB2 . 34886 1 309 . 1 . 1 28 28 PRO HB3 H 1 2.244 0.003 . 2 . . . . A 2244 PRO HB3 . 34886 1 310 . 1 . 1 28 28 PRO HG2 H 1 1.966 0.001 . 2 . . . . A 2244 PRO HG2 . 34886 1 311 . 1 . 1 28 28 PRO HG3 H 1 1.966 0.001 . 2 . . . . A 2244 PRO HG3 . 34886 1 312 . 1 . 1 28 28 PRO HD2 H 1 3.581 0.001 . 2 . . . . A 2244 PRO HD2 . 34886 1 313 . 1 . 1 28 28 PRO HD3 H 1 3.751 0.000 . 2 . . . . A 2244 PRO HD3 . 34886 1 314 . 1 . 1 28 28 PRO C C 13 176.819 0.000 . 1 . . . . A 2244 PRO C . 34886 1 315 . 1 . 1 28 28 PRO CA C 13 62.859 0.010 . 1 . . . . A 2244 PRO CA . 34886 1 316 . 1 . 1 28 28 PRO CB C 13 32.083 0.019 . 1 . . . . A 2244 PRO CB . 34886 1 317 . 1 . 1 28 28 PRO CG C 13 27.343 0.078 . 1 . . . . A 2244 PRO CG . 34886 1 318 . 1 . 1 28 28 PRO CD C 13 50.401 0.042 . 1 . . . . A 2244 PRO CD . 34886 1 319 . 1 . 1 29 29 LYS H H 1 8.461 0.000 . 1 . . . . A 2245 LYS H . 34886 1 320 . 1 . 1 29 29 LYS HA H 1 4.283 0.009 . 1 . . . . A 2245 LYS HA . 34886 1 321 . 1 . 1 29 29 LYS HB2 H 1 1.778 0.000 . 2 . . . . A 2245 LYS HB2 . 34886 1 322 . 1 . 1 29 29 LYS HB3 H 1 1.696 0.002 . 2 . . . . A 2245 LYS HB3 . 34886 1 323 . 1 . 1 29 29 LYS HG2 H 1 1.403 0.008 . 2 . . . . A 2245 LYS HG2 . 34886 1 324 . 1 . 1 29 29 LYS HG3 H 1 1.403 0.008 . 2 . . . . A 2245 LYS HG3 . 34886 1 325 . 1 . 1 29 29 LYS HD2 H 1 1.638 0.007 . 2 . . . . A 2245 LYS HD2 . 34886 1 326 . 1 . 1 29 29 LYS HD3 H 1 1.638 0.007 . 2 . . . . A 2245 LYS HD3 . 34886 1 327 . 1 . 1 29 29 LYS HE2 H 1 2.952 0.003 . 2 . . . . A 2245 LYS HE2 . 34886 1 328 . 1 . 1 29 29 LYS HE3 H 1 2.952 0.003 . 2 . . . . A 2245 LYS HE3 . 34886 1 329 . 1 . 1 29 29 LYS C C 13 176.867 0.000 . 1 . . . . A 2245 LYS C . 34886 1 330 . 1 . 1 29 29 LYS CA C 13 56.272 0.056 . 1 . . . . A 2245 LYS CA . 34886 1 331 . 1 . 1 29 29 LYS CB C 13 33.117 0.048 . 1 . . . . A 2245 LYS CB . 34886 1 332 . 1 . 1 29 29 LYS CG C 13 24.804 0.035 . 1 . . . . A 2245 LYS CG . 34886 1 333 . 1 . 1 29 29 LYS CD C 13 29.064 0.020 . 1 . . . . A 2245 LYS CD . 34886 1 334 . 1 . 1 29 29 LYS CE C 13 42.131 0.000 . 1 . . . . A 2245 LYS CE . 34886 1 335 . 1 . 1 29 29 LYS N N 15 121.945 0.012 . 1 . . . . A 2245 LYS N . 34886 1 336 . 1 . 1 30 30 THR H H 1 8.147 0.000 . 1 . . . . A 2246 THR H . 34886 1 337 . 1 . 1 30 30 THR HA H 1 4.245 0.002 . 1 . . . . A 2246 THR HA . 34886 1 338 . 1 . 1 30 30 THR HB H 1 4.107 0.002 . 1 . . . . A 2246 THR HB . 34886 1 339 . 1 . 1 30 30 THR HG21 H 1 1.143 0.001 . 1 . . . . A 2246 THR HG21 . 34886 1 340 . 1 . 1 30 30 THR HG22 H 1 1.143 0.001 . 1 . . . . A 2246 THR HG22 . 34886 1 341 . 1 . 1 30 30 THR HG23 H 1 1.143 0.001 . 1 . . . . A 2246 THR HG23 . 34886 1 342 . 1 . 1 30 30 THR C C 13 174.070 0.000 . 1 . . . . A 2246 THR C . 34886 1 343 . 1 . 1 30 30 THR CA C 13 61.684 0.036 . 1 . . . . A 2246 THR CA . 34886 1 344 . 1 . 1 30 30 THR CB C 13 69.937 0.048 . 1 . . . . A 2246 THR CB . 34886 1 345 . 1 . 1 30 30 THR CG2 C 13 21.630 0.059 . 1 . . . . A 2246 THR CG2 . 34886 1 346 . 1 . 1 30 30 THR N N 15 116.191 0.000 . 1 . . . . A 2246 THR N . 34886 1 347 . 1 . 1 31 31 LYS H H 1 8.356 0.000 . 1 . . . . A 2247 LYS H . 34886 1 348 . 1 . 1 31 31 LYS HA H 1 4.257 0.003 . 1 . . . . A 2247 LYS HA . 34886 1 349 . 1 . 1 31 31 LYS HB2 H 1 1.731 0.000 . 2 . . . . A 2247 LYS HB2 . 34886 1 350 . 1 . 1 31 31 LYS HB3 H 1 1.677 0.000 . 2 . . . . A 2247 LYS HB3 . 34886 1 351 . 1 . 1 31 31 LYS HG2 H 1 1.351 0.004 . 2 . . . . A 2247 LYS HG2 . 34886 1 352 . 1 . 1 31 31 LYS HG3 H 1 1.351 0.004 . 2 . . . . A 2247 LYS HG3 . 34886 1 353 . 1 . 1 31 31 LYS HD2 H 1 1.625 0.005 . 2 . . . . A 2247 LYS HD2 . 34886 1 354 . 1 . 1 31 31 LYS HD3 H 1 1.625 0.005 . 2 . . . . A 2247 LYS HD3 . 34886 1 355 . 1 . 1 31 31 LYS HE2 H 1 2.940 0.000 . 2 . . . . A 2247 LYS HE2 . 34886 1 356 . 1 . 1 31 31 LYS HE3 H 1 2.940 0.000 . 2 . . . . A 2247 LYS HE3 . 34886 1 357 . 1 . 1 31 31 LYS C C 13 175.788 0.000 . 1 . . . . A 2247 LYS C . 34886 1 358 . 1 . 1 31 31 LYS CA C 13 56.044 0.028 . 1 . . . . A 2247 LYS CA . 34886 1 359 . 1 . 1 31 31 LYS CB C 13 33.221 0.045 . 1 . . . . A 2247 LYS CB . 34886 1 360 . 1 . 1 31 31 LYS CG C 13 24.540 0.032 . 1 . . . . A 2247 LYS CG . 34886 1 361 . 1 . 1 31 31 LYS CD C 13 29.098 0.039 . 1 . . . . A 2247 LYS CD . 34886 1 362 . 1 . 1 31 31 LYS CE C 13 42.144 0.000 . 1 . . . . A 2247 LYS CE . 34886 1 363 . 1 . 1 31 31 LYS N N 15 124.016 0.000 . 1 . . . . A 2247 LYS N . 34886 1 364 . 1 . 1 32 32 ASP H H 1 8.395 0.000 . 1 . . . . A 2248 ASP H . 34886 1 365 . 1 . 1 32 32 ASP HA H 1 4.766 0.004 . 1 . . . . A 2248 ASP HA . 34886 1 366 . 1 . 1 32 32 ASP HB2 H 1 2.692 0.004 . 2 . . . . A 2248 ASP HB2 . 34886 1 367 . 1 . 1 32 32 ASP HB3 H 1 2.439 0.004 . 2 . . . . A 2248 ASP HB3 . 34886 1 368 . 1 . 1 32 32 ASP C C 13 174.619 0.000 . 1 . . . . A 2248 ASP C . 34886 1 369 . 1 . 1 32 32 ASP CA C 13 52.700 0.042 . 1 . . . . A 2248 ASP CA . 34886 1 370 . 1 . 1 32 32 ASP CB C 13 40.732 0.021 . 1 . . . . A 2248 ASP CB . 34886 1 371 . 1 . 1 32 32 ASP N N 15 124.054 0.000 . 1 . . . . A 2248 ASP N . 34886 1 372 . 1 . 1 33 33 PRO HA H 1 4.327 0.004 . 1 . . . . A 2249 PRO HA . 34886 1 373 . 1 . 1 33 33 PRO HB2 H 1 1.870 0.000 . 2 . . . . A 2249 PRO HB2 . 34886 1 374 . 1 . 1 33 33 PRO HB3 H 1 2.223 0.001 . 2 . . . . A 2249 PRO HB3 . 34886 1 375 . 1 . 1 33 33 PRO HG2 H 1 1.945 0.000 . 2 . . . . A 2249 PRO HG2 . 34886 1 376 . 1 . 1 33 33 PRO HG3 H 1 1.945 0.000 . 2 . . . . A 2249 PRO HG3 . 34886 1 377 . 1 . 1 33 33 PRO HD2 H 1 3.790 0.004 . 2 . . . . A 2249 PRO HD2 . 34886 1 378 . 1 . 1 33 33 PRO HD3 H 1 3.702 0.000 . 2 . . . . A 2249 PRO HD3 . 34886 1 379 . 1 . 1 33 33 PRO C C 13 176.598 0.000 . 1 . . . . A 2249 PRO C . 34886 1 380 . 1 . 1 33 33 PRO CA C 13 63.397 0.019 . 1 . . . . A 2249 PRO CA . 34886 1 381 . 1 . 1 33 33 PRO CB C 13 32.091 0.013 . 1 . . . . A 2249 PRO CB . 34886 1 382 . 1 . 1 33 33 PRO CG C 13 27.134 0.000 . 1 . . . . A 2249 PRO CG . 34886 1 383 . 1 . 1 33 33 PRO CD C 13 50.618 0.079 . 1 . . . . A 2249 PRO CD . 34886 1 384 . 1 . 1 34 34 ASP H H 1 8.334 0.000 . 1 . . . . A 2250 ASP H . 34886 1 385 . 1 . 1 34 34 ASP HA H 1 4.509 0.001 . 1 . . . . A 2250 ASP HA . 34886 1 386 . 1 . 1 34 34 ASP HB2 H 1 2.660 0.000 . 2 . . . . A 2250 ASP HB2 . 34886 1 387 . 1 . 1 34 34 ASP HB3 H 1 2.513 0.000 . 2 . . . . A 2250 ASP HB3 . 34886 1 388 . 1 . 1 34 34 ASP C C 13 176.068 0.000 . 1 . . . . A 2250 ASP C . 34886 1 389 . 1 . 1 34 34 ASP CA C 13 54.611 0.022 . 1 . . . . A 2250 ASP CA . 34886 1 390 . 1 . 1 34 34 ASP CB C 13 41.012 0.018 . 1 . . . . A 2250 ASP CB . 34886 1 391 . 1 . 1 34 34 ASP N N 15 119.588 0.000 . 1 . . . . A 2250 ASP N . 34886 1 392 . 1 . 1 35 35 LEU H H 1 7.887 0.000 . 1 . . . . A 2251 LEU H . 34886 1 393 . 1 . 1 35 35 LEU HA H 1 4.416 0.002 . 1 . . . . A 2251 LEU HA . 34886 1 394 . 1 . 1 35 35 LEU HB2 H 1 1.444 0.007 . 2 . . . . A 2251 LEU HB2 . 34886 1 395 . 1 . 1 35 35 LEU HB3 H 1 1.538 0.004 . 2 . . . . A 2251 LEU HB3 . 34886 1 396 . 1 . 1 35 35 LEU HG H 1 1.532 0.002 . 1 . . . . A 2251 LEU HG . 34886 1 397 . 1 . 1 35 35 LEU HD11 H 1 0.799 0.002 . 1 . . . . A 2251 LEU HD11 . 34886 1 398 . 1 . 1 35 35 LEU HD12 H 1 0.799 0.002 . 1 . . . . A 2251 LEU HD12 . 34886 1 399 . 1 . 1 35 35 LEU HD13 H 1 0.799 0.002 . 1 . . . . A 2251 LEU HD13 . 34886 1 400 . 1 . 1 35 35 LEU HD21 H 1 0.750 0.001 . 1 . . . . A 2251 LEU HD21 . 34886 1 401 . 1 . 1 35 35 LEU HD22 H 1 0.750 0.001 . 1 . . . . A 2251 LEU HD22 . 34886 1 402 . 1 . 1 35 35 LEU HD23 H 1 0.750 0.001 . 1 . . . . A 2251 LEU HD23 . 34886 1 403 . 1 . 1 35 35 LEU C C 13 176.494 0.000 . 1 . . . . A 2251 LEU C . 34886 1 404 . 1 . 1 35 35 LEU CA C 13 54.526 0.053 . 1 . . . . A 2251 LEU CA . 34886 1 405 . 1 . 1 35 35 LEU CB C 13 42.930 0.048 . 1 . . . . A 2251 LEU CB . 34886 1 406 . 1 . 1 35 35 LEU CG C 13 26.757 0.062 . 1 . . . . A 2251 LEU CG . 34886 1 407 . 1 . 1 35 35 LEU CD1 C 13 25.470 0.043 . 1 . . . . A 2251 LEU CD1 . 34886 1 408 . 1 . 1 35 35 LEU CD2 C 13 23.827 0.068 . 1 . . . . A 2251 LEU CD2 . 34886 1 409 . 1 . 1 35 35 LEU N N 15 121.981 0.000 . 1 . . . . A 2251 LEU N . 34886 1 410 . 1 . 1 36 36 THR H H 1 7.832 0.000 . 1 . . . . A 2252 THR H . 34886 1 411 . 1 . 1 36 36 THR HA H 1 4.719 0.004 . 1 . . . . A 2252 THR HA . 34886 1 412 . 1 . 1 36 36 THR HB H 1 4.618 0.002 . 1 . . . . A 2252 THR HB . 34886 1 413 . 1 . 1 36 36 THR HG21 H 1 1.237 0.001 . 1 . . . . A 2252 THR HG21 . 34886 1 414 . 1 . 1 36 36 THR HG22 H 1 1.237 0.001 . 1 . . . . A 2252 THR HG22 . 34886 1 415 . 1 . 1 36 36 THR HG23 H 1 1.237 0.001 . 1 . . . . A 2252 THR HG23 . 34886 1 416 . 1 . 1 36 36 THR C C 13 173.490 0.000 . 1 . . . . A 2252 THR C . 34886 1 417 . 1 . 1 36 36 THR CA C 13 58.879 0.068 . 1 . . . . A 2252 THR CA . 34886 1 418 . 1 . 1 36 36 THR CB C 13 69.019 0.030 . 1 . . . . A 2252 THR CB . 34886 1 419 . 1 . 1 36 36 THR CG2 C 13 21.979 0.031 . 1 . . . . A 2252 THR CG2 . 34886 1 420 . 1 . 1 36 36 THR N N 15 112.702 0.000 . 1 . . . . A 2252 THR N . 34886 1 421 . 1 . 1 37 37 PRO HA H 1 4.009 0.002 . 1 . . . . A 2253 PRO HA . 34886 1 422 . 1 . 1 37 37 PRO HB2 H 1 1.931 0.001 . 2 . . . . A 2253 PRO HB2 . 34886 1 423 . 1 . 1 37 37 PRO HB3 H 1 1.866 0.002 . 2 . . . . A 2253 PRO HB3 . 34886 1 424 . 1 . 1 37 37 PRO HG2 H 1 1.782 0.003 . 2 . . . . A 2253 PRO HG2 . 34886 1 425 . 1 . 1 37 37 PRO HG3 H 1 2.236 0.006 . 2 . . . . A 2253 PRO HG3 . 34886 1 426 . 1 . 1 37 37 PRO HD2 H 1 3.848 0.000 . 2 . . . . A 2253 PRO HD2 . 34886 1 427 . 1 . 1 37 37 PRO HD3 H 1 4.019 0.000 . 2 . . . . A 2253 PRO HD3 . 34886 1 428 . 1 . 1 37 37 PRO C C 13 177.730 0.000 . 1 . . . . A 2253 PRO C . 34886 1 429 . 1 . 1 37 37 PRO CA C 13 66.881 0.088 . 1 . . . . A 2253 PRO CA . 34886 1 430 . 1 . 1 37 37 PRO CB C 13 32.014 0.098 . 1 . . . . A 2253 PRO CB . 34886 1 431 . 1 . 1 37 37 PRO CG C 13 28.304 0.045 . 1 . . . . A 2253 PRO CG . 34886 1 432 . 1 . 1 37 37 PRO CD C 13 50.332 0.043 . 1 . . . . A 2253 PRO CD . 34886 1 433 . 1 . 1 38 38 SER H H 1 8.918 0.002 . 1 . . . . A 2254 SER H . 34886 1 434 . 1 . 1 38 38 SER HA H 1 3.913 0.010 . 1 . . . . A 2254 SER HA . 34886 1 435 . 1 . 1 38 38 SER HB2 H 1 3.871 0.002 . 2 . . . . A 2254 SER HB2 . 34886 1 436 . 1 . 1 38 38 SER HB3 H 1 3.871 0.002 . 2 . . . . A 2254 SER HB3 . 34886 1 437 . 1 . 1 38 38 SER C C 13 177.714 0.000 . 1 . . . . A 2254 SER C . 34886 1 438 . 1 . 1 38 38 SER CA C 13 62.039 0.026 . 1 . . . . A 2254 SER CA . 34886 1 439 . 1 . 1 38 38 SER CB C 13 62.445 0.000 . 1 . . . . A 2254 SER CB . 34886 1 440 . 1 . 1 38 38 SER N N 15 111.466 0.022 . 1 . . . . A 2254 SER N . 34886 1 441 . 1 . 1 39 39 GLY H H 1 8.029 0.000 . 1 . . . . A 2255 GLY H . 34886 1 442 . 1 . 1 39 39 GLY HA2 H 1 3.984 0.001 . 2 . . . . A 2255 GLY HA2 . 34886 1 443 . 1 . 1 39 39 GLY HA3 H 1 3.824 0.008 . 2 . . . . A 2255 GLY HA3 . 34886 1 444 . 1 . 1 39 39 GLY C C 13 176.764 0.000 . 1 . . . . A 2255 GLY C . 34886 1 445 . 1 . 1 39 39 GLY CA C 13 46.730 0.035 . 1 . . . . A 2255 GLY CA . 34886 1 446 . 1 . 1 39 39 GLY N N 15 113.702 0.000 . 1 . . . . A 2255 GLY N . 34886 1 447 . 1 . 1 40 40 ILE H H 1 8.405 0.000 . 1 . . . . A 2256 ILE H . 34886 1 448 . 1 . 1 40 40 ILE HA H 1 3.522 0.006 . 1 . . . . A 2256 ILE HA . 34886 1 449 . 1 . 1 40 40 ILE HB H 1 1.958 0.003 . 1 . . . . A 2256 ILE HB . 34886 1 450 . 1 . 1 40 40 ILE HG12 H 1 1.662 0.001 . 2 . . . . A 2256 ILE HG12 . 34886 1 451 . 1 . 1 40 40 ILE HG13 H 1 0.769 0.001 . 2 . . . . A 2256 ILE HG13 . 34886 1 452 . 1 . 1 40 40 ILE HG21 H 1 0.889 0.001 . 1 . . . . A 2256 ILE HG21 . 34886 1 453 . 1 . 1 40 40 ILE HG22 H 1 0.889 0.001 . 1 . . . . A 2256 ILE HG22 . 34886 1 454 . 1 . 1 40 40 ILE HG23 H 1 0.889 0.001 . 1 . . . . A 2256 ILE HG23 . 34886 1 455 . 1 . 1 40 40 ILE HD11 H 1 0.662 0.001 . 1 . . . . A 2256 ILE HD11 . 34886 1 456 . 1 . 1 40 40 ILE HD12 H 1 0.662 0.001 . 1 . . . . A 2256 ILE HD12 . 34886 1 457 . 1 . 1 40 40 ILE HD13 H 1 0.662 0.001 . 1 . . . . A 2256 ILE HD13 . 34886 1 458 . 1 . 1 40 40 ILE C C 13 177.297 0.000 . 1 . . . . A 2256 ILE C . 34886 1 459 . 1 . 1 40 40 ILE CA C 13 65.629 0.110 . 1 . . . . A 2256 ILE CA . 34886 1 460 . 1 . 1 40 40 ILE CB C 13 38.014 0.041 . 1 . . . . A 2256 ILE CB . 34886 1 461 . 1 . 1 40 40 ILE CG1 C 13 30.855 0.063 . 1 . . . . A 2256 ILE CG1 . 34886 1 462 . 1 . 1 40 40 ILE CG2 C 13 17.770 0.075 . 1 . . . . A 2256 ILE CG2 . 34886 1 463 . 1 . 1 40 40 ILE CD1 C 13 14.435 0.028 . 1 . . . . A 2256 ILE CD1 . 34886 1 464 . 1 . 1 40 40 ILE N N 15 123.831 0.000 . 1 . . . . A 2256 ILE N . 34886 1 465 . 1 . 1 41 41 ILE H H 1 7.903 0.000 . 1 . . . . A 2257 ILE H . 34886 1 466 . 1 . 1 41 41 ILE HA H 1 3.650 0.002 . 1 . . . . A 2257 ILE HA . 34886 1 467 . 1 . 1 41 41 ILE HB H 1 2.134 0.003 . 1 . . . . A 2257 ILE HB . 34886 1 468 . 1 . 1 41 41 ILE HG12 H 1 1.780 0.002 . 2 . . . . A 2257 ILE HG12 . 34886 1 469 . 1 . 1 41 41 ILE HG13 H 1 1.374 0.002 . 2 . . . . A 2257 ILE HG13 . 34886 1 470 . 1 . 1 41 41 ILE HG21 H 1 0.861 0.002 . 1 . . . . A 2257 ILE HG21 . 34886 1 471 . 1 . 1 41 41 ILE HG22 H 1 0.861 0.002 . 1 . . . . A 2257 ILE HG22 . 34886 1 472 . 1 . 1 41 41 ILE HG23 H 1 0.861 0.002 . 1 . . . . A 2257 ILE HG23 . 34886 1 473 . 1 . 1 41 41 ILE HD11 H 1 0.692 0.001 . 1 . . . . A 2257 ILE HD11 . 34886 1 474 . 1 . 1 41 41 ILE HD12 H 1 0.692 0.001 . 1 . . . . A 2257 ILE HD12 . 34886 1 475 . 1 . 1 41 41 ILE HD13 H 1 0.692 0.001 . 1 . . . . A 2257 ILE HD13 . 34886 1 476 . 1 . 1 41 41 ILE C C 13 177.997 0.000 . 1 . . . . A 2257 ILE C . 34886 1 477 . 1 . 1 41 41 ILE CA C 13 61.916 0.047 . 1 . . . . A 2257 ILE CA . 34886 1 478 . 1 . 1 41 41 ILE CB C 13 35.214 0.034 . 1 . . . . A 2257 ILE CB . 34886 1 479 . 1 . 1 41 41 ILE CG1 C 13 26.877 0.053 . 1 . . . . A 2257 ILE CG1 . 34886 1 480 . 1 . 1 41 41 ILE CG2 C 13 17.483 0.036 . 1 . . . . A 2257 ILE CG2 . 34886 1 481 . 1 . 1 41 41 ILE CD1 C 13 8.758 0.031 . 1 . . . . A 2257 ILE CD1 . 34886 1 482 . 1 . 1 41 41 ILE N N 15 118.397 0.000 . 1 . . . . A 2257 ILE N . 34886 1 483 . 1 . 1 42 42 ALA H H 1 7.946 0.000 . 1 . . . . A 2258 ALA H . 34886 1 484 . 1 . 1 42 42 ALA HA H 1 4.026 0.001 . 1 . . . . A 2258 ALA HA . 34886 1 485 . 1 . 1 42 42 ALA HB1 H 1 1.483 0.002 . 1 . . . . A 2258 ALA HB1 . 34886 1 486 . 1 . 1 42 42 ALA HB2 H 1 1.483 0.002 . 1 . . . . A 2258 ALA HB2 . 34886 1 487 . 1 . 1 42 42 ALA HB3 H 1 1.483 0.002 . 1 . . . . A 2258 ALA HB3 . 34886 1 488 . 1 . 1 42 42 ALA C C 13 181.177 0.000 . 1 . . . . A 2258 ALA C . 34886 1 489 . 1 . 1 42 42 ALA CA C 13 55.567 0.035 . 1 . . . . A 2258 ALA CA . 34886 1 490 . 1 . 1 42 42 ALA CB C 13 17.802 0.030 . 1 . . . . A 2258 ALA CB . 34886 1 491 . 1 . 1 42 42 ALA N N 15 121.190 0.000 . 1 . . . . A 2258 ALA N . 34886 1 492 . 1 . 1 43 43 LYS H H 1 7.816 0.000 . 1 . . . . A 2259 LYS H . 34886 1 493 . 1 . 1 43 43 LYS HA H 1 4.134 0.003 . 1 . . . . A 2259 LYS HA . 34886 1 494 . 1 . 1 43 43 LYS HB2 H 1 2.188 0.002 . 2 . . . . A 2259 LYS HB2 . 34886 1 495 . 1 . 1 43 43 LYS HB3 H 1 1.593 0.007 . 2 . . . . A 2259 LYS HB3 . 34886 1 496 . 1 . 1 43 43 LYS HG2 H 1 1.668 0.002 . 2 . . . . A 2259 LYS HG2 . 34886 1 497 . 1 . 1 43 43 LYS HG3 H 1 1.541 0.001 . 2 . . . . A 2259 LYS HG3 . 34886 1 498 . 1 . 1 43 43 LYS HD2 H 1 1.502 0.002 . 2 . . . . A 2259 LYS HD2 . 34886 1 499 . 1 . 1 43 43 LYS HD3 H 1 1.615 0.001 . 2 . . . . A 2259 LYS HD3 . 34886 1 500 . 1 . 1 43 43 LYS HE2 H 1 2.839 0.004 . 2 . . . . A 2259 LYS HE2 . 34886 1 501 . 1 . 1 43 43 LYS HE3 H 1 2.926 0.009 . 2 . . . . A 2259 LYS HE3 . 34886 1 502 . 1 . 1 43 43 LYS C C 13 179.365 0.000 . 1 . . . . A 2259 LYS C . 34886 1 503 . 1 . 1 43 43 LYS CA C 13 59.797 0.037 . 1 . . . . A 2259 LYS CA . 34886 1 504 . 1 . 1 43 43 LYS CB C 13 33.517 0.052 . 1 . . . . A 2259 LYS CB . 34886 1 505 . 1 . 1 43 43 LYS CG C 13 25.988 0.079 . 1 . . . . A 2259 LYS CG . 34886 1 506 . 1 . 1 43 43 LYS CD C 13 29.622 0.070 . 1 . . . . A 2259 LYS CD . 34886 1 507 . 1 . 1 43 43 LYS CE C 13 42.088 0.051 . 1 . . . . A 2259 LYS CE . 34886 1 508 . 1 . 1 43 43 LYS N N 15 119.063 0.000 . 1 . . . . A 2259 LYS N . 34886 1 509 . 1 . 1 44 44 VAL H H 1 8.354 0.000 . 1 . . . . A 2260 VAL H . 34886 1 510 . 1 . 1 44 44 VAL HA H 1 4.141 0.003 . 1 . . . . A 2260 VAL HA . 34886 1 511 . 1 . 1 44 44 VAL HB H 1 2.103 0.002 . 1 . . . . A 2260 VAL HB . 34886 1 512 . 1 . 1 44 44 VAL HG11 H 1 0.822 0.002 . 1 . . . . A 2260 VAL HG11 . 34886 1 513 . 1 . 1 44 44 VAL HG12 H 1 0.822 0.002 . 1 . . . . A 2260 VAL HG12 . 34886 1 514 . 1 . 1 44 44 VAL HG13 H 1 0.822 0.002 . 1 . . . . A 2260 VAL HG13 . 34886 1 515 . 1 . 1 44 44 VAL HG21 H 1 0.772 0.001 . 1 . . . . A 2260 VAL HG21 . 34886 1 516 . 1 . 1 44 44 VAL HG22 H 1 0.772 0.001 . 1 . . . . A 2260 VAL HG22 . 34886 1 517 . 1 . 1 44 44 VAL HG23 H 1 0.772 0.001 . 1 . . . . A 2260 VAL HG23 . 34886 1 518 . 1 . 1 44 44 VAL C C 13 181.053 0.000 . 1 . . . . A 2260 VAL C . 34886 1 519 . 1 . 1 44 44 VAL CA C 13 65.325 0.038 . 1 . . . . A 2260 VAL CA . 34886 1 520 . 1 . 1 44 44 VAL CB C 13 31.754 0.109 . 1 . . . . A 2260 VAL CB . 34886 1 521 . 1 . 1 44 44 VAL CG1 C 13 21.425 0.037 . 1 . . . . A 2260 VAL CG1 . 34886 1 522 . 1 . 1 44 44 VAL CG2 C 13 23.546 0.056 . 1 . . . . A 2260 VAL CG2 . 34886 1 523 . 1 . 1 44 44 VAL N N 15 121.884 0.000 . 1 . . . . A 2260 VAL N . 34886 1 524 . 1 . 1 45 45 LYS H H 1 8.666 0.000 . 1 . . . . A 2261 LYS H . 34886 1 525 . 1 . 1 45 45 LYS HA H 1 3.904 0.002 . 1 . . . . A 2261 LYS HA . 34886 1 526 . 1 . 1 45 45 LYS HB2 H 1 1.839 0.002 . 2 . . . . A 2261 LYS HB2 . 34886 1 527 . 1 . 1 45 45 LYS HB3 H 1 1.839 0.002 . 2 . . . . A 2261 LYS HB3 . 34886 1 528 . 1 . 1 45 45 LYS HG2 H 1 1.370 0.002 . 2 . . . . A 2261 LYS HG2 . 34886 1 529 . 1 . 1 45 45 LYS HG3 H 1 1.618 0.002 . 2 . . . . A 2261 LYS HG3 . 34886 1 530 . 1 . 1 45 45 LYS HD2 H 1 1.606 0.003 . 2 . . . . A 2261 LYS HD2 . 34886 1 531 . 1 . 1 45 45 LYS HD3 H 1 1.606 0.003 . 2 . . . . A 2261 LYS HD3 . 34886 1 532 . 1 . 1 45 45 LYS HE2 H 1 2.856 0.002 . 2 . . . . A 2261 LYS HE2 . 34886 1 533 . 1 . 1 45 45 LYS HE3 H 1 2.789 0.002 . 2 . . . . A 2261 LYS HE3 . 34886 1 534 . 1 . 1 45 45 LYS C C 13 178.066 0.000 . 1 . . . . A 2261 LYS C . 34886 1 535 . 1 . 1 45 45 LYS CA C 13 59.943 0.072 . 1 . . . . A 2261 LYS CA . 34886 1 536 . 1 . 1 45 45 LYS CB C 13 32.312 0.060 . 1 . . . . A 2261 LYS CB . 34886 1 537 . 1 . 1 45 45 LYS CG C 13 26.020 0.076 . 1 . . . . A 2261 LYS CG . 34886 1 538 . 1 . 1 45 45 LYS CD C 13 29.701 0.106 . 1 . . . . A 2261 LYS CD . 34886 1 539 . 1 . 1 45 45 LYS CE C 13 41.784 0.044 . 1 . . . . A 2261 LYS CE . 34886 1 540 . 1 . 1 45 45 LYS N N 15 121.350 0.000 . 1 . . . . A 2261 LYS N . 34886 1 541 . 1 . 1 46 46 ALA H H 1 7.623 0.000 . 1 . . . . A 2262 ALA H . 34886 1 542 . 1 . 1 46 46 ALA HA H 1 4.277 0.003 . 1 . . . . A 2262 ALA HA . 34886 1 543 . 1 . 1 46 46 ALA HB1 H 1 1.469 0.004 . 1 . . . . A 2262 ALA HB1 . 34886 1 544 . 1 . 1 46 46 ALA HB2 H 1 1.469 0.004 . 1 . . . . A 2262 ALA HB2 . 34886 1 545 . 1 . 1 46 46 ALA HB3 H 1 1.469 0.004 . 1 . . . . A 2262 ALA HB3 . 34886 1 546 . 1 . 1 46 46 ALA C C 13 177.729 0.000 . 1 . . . . A 2262 ALA C . 34886 1 547 . 1 . 1 46 46 ALA CA C 13 52.724 0.006 . 1 . . . . A 2262 ALA CA . 34886 1 548 . 1 . 1 46 46 ALA CB C 13 19.651 0.001 . 1 . . . . A 2262 ALA CB . 34886 1 549 . 1 . 1 46 46 ALA N N 15 117.753 0.000 . 1 . . . . A 2262 ALA N . 34886 1 550 . 1 . 1 47 47 GLY H H 1 7.771 0.000 . 1 . . . . A 2263 GLY H . 34886 1 551 . 1 . 1 47 47 GLY HA2 H 1 4.231 0.002 . 2 . . . . A 2263 GLY HA2 . 34886 1 552 . 1 . 1 47 47 GLY HA3 H 1 3.855 0.005 . 2 . . . . A 2263 GLY HA3 . 34886 1 553 . 1 . 1 47 47 GLY C C 13 174.414 0.000 . 1 . . . . A 2263 GLY C . 34886 1 554 . 1 . 1 47 47 GLY CA C 13 45.007 0.037 . 1 . . . . A 2263 GLY CA . 34886 1 555 . 1 . 1 47 47 GLY N N 15 105.308 0.000 . 1 . . . . A 2263 GLY N . 34886 1 556 . 1 . 1 48 48 ASP H H 1 8.075 0.000 . 1 . . . . A 2264 ASP H . 34886 1 557 . 1 . 1 48 48 ASP HA H 1 4.667 0.003 . 1 . . . . A 2264 ASP HA . 34886 1 558 . 1 . 1 48 48 ASP HB2 H 1 2.775 0.002 . 2 . . . . A 2264 ASP HB2 . 34886 1 559 . 1 . 1 48 48 ASP HB3 H 1 2.369 0.003 . 2 . . . . A 2264 ASP HB3 . 34886 1 560 . 1 . 1 48 48 ASP C C 13 174.449 0.000 . 1 . . . . A 2264 ASP C . 34886 1 561 . 1 . 1 48 48 ASP CA C 13 55.109 0.062 . 1 . . . . A 2264 ASP CA . 34886 1 562 . 1 . 1 48 48 ASP CB C 13 42.540 0.026 . 1 . . . . A 2264 ASP CB . 34886 1 563 . 1 . 1 48 48 ASP N N 15 119.053 0.000 . 1 . . . . A 2264 ASP N . 34886 1 564 . 1 . 1 49 49 MET H H 1 7.079 0.000 . 1 . . . . A 2265 MET H . 34886 1 565 . 1 . 1 49 49 MET HA H 1 4.540 0.004 . 1 . . . . A 2265 MET HA . 34886 1 566 . 1 . 1 49 49 MET HB2 H 1 1.418 0.004 . 2 . . . . A 2265 MET HB2 . 34886 1 567 . 1 . 1 49 49 MET HB3 H 1 1.941 0.004 . 2 . . . . A 2265 MET HB3 . 34886 1 568 . 1 . 1 49 49 MET HG2 H 1 2.360 0.002 . 2 . . . . A 2265 MET HG2 . 34886 1 569 . 1 . 1 49 49 MET HG3 H 1 2.717 0.002 . 2 . . . . A 2265 MET HG3 . 34886 1 570 . 1 . 1 49 49 MET HE1 H 1 1.882 0.000 . 1 . . . . A 2265 MET HE1 . 34886 1 571 . 1 . 1 49 49 MET HE2 H 1 1.882 0.000 . 1 . . . . A 2265 MET HE2 . 34886 1 572 . 1 . 1 49 49 MET HE3 H 1 1.882 0.000 . 1 . . . . A 2265 MET HE3 . 34886 1 573 . 1 . 1 49 49 MET C C 13 174.582 0.000 . 1 . . . . A 2265 MET C . 34886 1 574 . 1 . 1 49 49 MET CA C 13 54.484 0.036 . 1 . . . . A 2265 MET CA . 34886 1 575 . 1 . 1 49 49 MET CB C 13 38.118 0.065 . 1 . . . . A 2265 MET CB . 34886 1 576 . 1 . 1 49 49 MET CG C 13 30.984 0.073 . 1 . . . . A 2265 MET CG . 34886 1 577 . 1 . 1 49 49 MET CE C 13 16.551 0.000 . 1 . . . . A 2265 MET CE . 34886 1 578 . 1 . 1 49 49 MET N N 15 119.115 0.000 . 1 . . . . A 2265 MET N . 34886 1 579 . 1 . 1 50 50 THR H H 1 8.687 0.000 . 1 . . . . A 2266 THR H . 34886 1 580 . 1 . 1 50 50 THR HA H 1 4.377 0.002 . 1 . . . . A 2266 THR HA . 34886 1 581 . 1 . 1 50 50 THR HB H 1 4.792 0.010 . 1 . . . . A 2266 THR HB . 34886 1 582 . 1 . 1 50 50 THR HG21 H 1 1.322 0.002 . 1 . . . . A 2266 THR HG21 . 34886 1 583 . 1 . 1 50 50 THR HG22 H 1 1.322 0.002 . 1 . . . . A 2266 THR HG22 . 34886 1 584 . 1 . 1 50 50 THR HG23 H 1 1.322 0.002 . 1 . . . . A 2266 THR HG23 . 34886 1 585 . 1 . 1 50 50 THR C C 13 175.660 0.000 . 1 . . . . A 2266 THR C . 34886 1 586 . 1 . 1 50 50 THR CA C 13 61.053 0.061 . 1 . . . . A 2266 THR CA . 34886 1 587 . 1 . 1 50 50 THR CB C 13 70.860 0.040 . 1 . . . . A 2266 THR CB . 34886 1 588 . 1 . 1 50 50 THR CG2 C 13 21.944 0.069 . 1 . . . . A 2266 THR CG2 . 34886 1 589 . 1 . 1 50 50 THR N N 15 116.287 0.007 . 1 . . . . A 2266 THR N . 34886 1 590 . 1 . 1 51 51 GLN H H 1 9.199 0.000 . 1 . . . . A 2267 GLN H . 34886 1 591 . 1 . 1 51 51 GLN HA H 1 3.766 0.002 . 1 . . . . A 2267 GLN HA . 34886 1 592 . 1 . 1 51 51 GLN HB2 H 1 2.104 0.005 . 2 . . . . A 2267 GLN HB2 . 34886 1 593 . 1 . 1 51 51 GLN HB3 H 1 2.031 0.003 . 2 . . . . A 2267 GLN HB3 . 34886 1 594 . 1 . 1 51 51 GLN HG2 H 1 2.476 0.001 . 2 . . . . A 2267 GLN HG2 . 34886 1 595 . 1 . 1 51 51 GLN HG3 H 1 2.220 0.003 . 2 . . . . A 2267 GLN HG3 . 34886 1 596 . 1 . 1 51 51 GLN HE21 H 1 6.887 0.000 . 2 . . . . A 2267 GLN HE21 . 34886 1 597 . 1 . 1 51 51 GLN HE22 H 1 7.459 0.000 . 2 . . . . A 2267 GLN HE22 . 34886 1 598 . 1 . 1 51 51 GLN C C 13 177.597 0.000 . 1 . . . . A 2267 GLN C . 34886 1 599 . 1 . 1 51 51 GLN CA C 13 60.037 0.015 . 1 . . . . A 2267 GLN CA . 34886 1 600 . 1 . 1 51 51 GLN CB C 13 28.043 0.070 . 1 . . . . A 2267 GLN CB . 34886 1 601 . 1 . 1 51 51 GLN CG C 13 34.340 0.048 . 1 . . . . A 2267 GLN CG . 34886 1 602 . 1 . 1 51 51 GLN N N 15 120.301 0.000 . 1 . . . . A 2267 GLN N . 34886 1 603 . 1 . 1 51 51 GLN NE2 N 15 110.809 0.000 . 1 . . . . A 2267 GLN NE2 . 34886 1 604 . 1 . 1 52 52 GLU H H 1 8.747 0.000 . 1 . . . . A 2268 GLU H . 34886 1 605 . 1 . 1 52 52 GLU HA H 1 3.937 0.002 . 1 . . . . A 2268 GLU HA . 34886 1 606 . 1 . 1 52 52 GLU HB2 H 1 2.061 0.003 . 2 . . . . A 2268 GLU HB2 . 34886 1 607 . 1 . 1 52 52 GLU HB3 H 1 1.918 0.003 . 2 . . . . A 2268 GLU HB3 . 34886 1 608 . 1 . 1 52 52 GLU HG2 H 1 2.389 0.002 . 2 . . . . A 2268 GLU HG2 . 34886 1 609 . 1 . 1 52 52 GLU HG3 H 1 2.247 0.003 . 2 . . . . A 2268 GLU HG3 . 34886 1 610 . 1 . 1 52 52 GLU C C 13 179.262 0.000 . 1 . . . . A 2268 GLU C . 34886 1 611 . 1 . 1 52 52 GLU CA C 13 60.499 0.043 . 1 . . . . A 2268 GLU CA . 34886 1 612 . 1 . 1 52 52 GLU CB C 13 28.882 0.072 . 1 . . . . A 2268 GLU CB . 34886 1 613 . 1 . 1 52 52 GLU CG C 13 36.877 0.110 . 1 . . . . A 2268 GLU CG . 34886 1 614 . 1 . 1 52 52 GLU N N 15 118.139 0.000 . 1 . . . . A 2268 GLU N . 34886 1 615 . 1 . 1 53 53 THR H H 1 7.830 0.000 . 1 . . . . A 2269 THR H . 34886 1 616 . 1 . 1 53 53 THR HA H 1 3.863 0.003 . 1 . . . . A 2269 THR HA . 34886 1 617 . 1 . 1 53 53 THR HB H 1 4.014 0.002 . 1 . . . . A 2269 THR HB . 34886 1 618 . 1 . 1 53 53 THR HG21 H 1 1.256 0.001 . 1 . . . . A 2269 THR HG21 . 34886 1 619 . 1 . 1 53 53 THR HG22 H 1 1.256 0.001 . 1 . . . . A 2269 THR HG22 . 34886 1 620 . 1 . 1 53 53 THR HG23 H 1 1.256 0.001 . 1 . . . . A 2269 THR HG23 . 34886 1 621 . 1 . 1 53 53 THR C C 13 175.649 0.000 . 1 . . . . A 2269 THR C . 34886 1 622 . 1 . 1 53 53 THR CA C 13 66.444 0.064 . 1 . . . . A 2269 THR CA . 34886 1 623 . 1 . 1 53 53 THR CB C 13 68.595 0.057 . 1 . . . . A 2269 THR CB . 34886 1 624 . 1 . 1 53 53 THR CG2 C 13 21.527 0.090 . 1 . . . . A 2269 THR CG2 . 34886 1 625 . 1 . 1 53 53 THR N N 15 119.231 0.000 . 1 . . . . A 2269 THR N . 34886 1 626 . 1 . 1 54 54 ALA H H 1 7.969 0.000 . 1 . . . . A 2270 ALA H . 34886 1 627 . 1 . 1 54 54 ALA HA H 1 3.854 0.002 . 1 . . . . A 2270 ALA HA . 34886 1 628 . 1 . 1 54 54 ALA HB1 H 1 1.152 0.002 . 1 . . . . A 2270 ALA HB1 . 34886 1 629 . 1 . 1 54 54 ALA HB2 H 1 1.152 0.002 . 1 . . . . A 2270 ALA HB2 . 34886 1 630 . 1 . 1 54 54 ALA HB3 H 1 1.152 0.002 . 1 . . . . A 2270 ALA HB3 . 34886 1 631 . 1 . 1 54 54 ALA C C 13 178.686 0.000 . 1 . . . . A 2270 ALA C . 34886 1 632 . 1 . 1 54 54 ALA CA C 13 55.430 0.029 . 1 . . . . A 2270 ALA CA . 34886 1 633 . 1 . 1 54 54 ALA CB C 13 20.209 0.018 . 1 . . . . A 2270 ALA CB . 34886 1 634 . 1 . 1 54 54 ALA N N 15 122.535 0.000 . 1 . . . . A 2270 ALA N . 34886 1 635 . 1 . 1 55 55 ARG H H 1 8.365 0.000 . 1 . . . . A 2271 ARG H . 34886 1 636 . 1 . 1 55 55 ARG HA H 1 3.576 0.003 . 1 . . . . A 2271 ARG HA . 34886 1 637 . 1 . 1 55 55 ARG HB2 H 1 1.805 0.001 . 2 . . . . A 2271 ARG HB2 . 34886 1 638 . 1 . 1 55 55 ARG HB3 H 1 1.805 0.001 . 2 . . . . A 2271 ARG HB3 . 34886 1 639 . 1 . 1 55 55 ARG HG2 H 1 1.500 0.003 . 2 . . . . A 2271 ARG HG2 . 34886 1 640 . 1 . 1 55 55 ARG HG3 H 1 1.500 0.003 . 2 . . . . A 2271 ARG HG3 . 34886 1 641 . 1 . 1 55 55 ARG HD2 H 1 3.250 0.001 . 2 . . . . A 2271 ARG HD2 . 34886 1 642 . 1 . 1 55 55 ARG HD3 H 1 3.094 0.003 . 2 . . . . A 2271 ARG HD3 . 34886 1 643 . 1 . 1 55 55 ARG HE H 1 7.480 0.000 . 1 . . . . A 2271 ARG HE . 34886 1 644 . 1 . 1 55 55 ARG HH11 H 1 6.666 0.000 . 2 . . . . A 2271 ARG HH11 . 34886 1 645 . 1 . 1 55 55 ARG HH12 H 1 6.666 0.000 . 2 . . . . A 2271 ARG HH12 . 34886 1 646 . 1 . 1 55 55 ARG HH21 H 1 7.009 0.000 . 2 . . . . A 2271 ARG HH21 . 34886 1 647 . 1 . 1 55 55 ARG HH22 H 1 7.009 0.000 . 2 . . . . A 2271 ARG HH22 . 34886 1 648 . 1 . 1 55 55 ARG C C 13 177.365 0.000 . 1 . . . . A 2271 ARG C . 34886 1 649 . 1 . 1 55 55 ARG CA C 13 60.367 0.055 . 1 . . . . A 2271 ARG CA . 34886 1 650 . 1 . 1 55 55 ARG CB C 13 29.950 0.097 . 1 . . . . A 2271 ARG CB . 34886 1 651 . 1 . 1 55 55 ARG CG C 13 28.222 0.132 . 1 . . . . A 2271 ARG CG . 34886 1 652 . 1 . 1 55 55 ARG CD C 13 42.845 0.051 . 1 . . . . A 2271 ARG CD . 34886 1 653 . 1 . 1 55 55 ARG CZ C 13 159.765 0.000 . 1 . . . . A 2271 ARG CZ . 34886 1 654 . 1 . 1 55 55 ARG N N 15 116.995 0.000 . 1 . . . . A 2271 ARG N . 34886 1 655 . 1 . 1 55 55 ARG NE N 15 83.844 0.000 . 1 . . . . A 2271 ARG NE . 34886 1 656 . 1 . 1 56 56 GLU H H 1 7.338 0.000 . 1 . . . . A 2272 GLU H . 34886 1 657 . 1 . 1 56 56 GLU HA H 1 3.894 0.001 . 1 . . . . A 2272 GLU HA . 34886 1 658 . 1 . 1 56 56 GLU HB2 H 1 2.114 0.003 . 2 . . . . A 2272 GLU HB2 . 34886 1 659 . 1 . 1 56 56 GLU HB3 H 1 2.114 0.003 . 2 . . . . A 2272 GLU HB3 . 34886 1 660 . 1 . 1 56 56 GLU HG2 H 1 2.382 0.003 . 2 . . . . A 2272 GLU HG2 . 34886 1 661 . 1 . 1 56 56 GLU HG3 H 1 2.211 0.004 . 2 . . . . A 2272 GLU HG3 . 34886 1 662 . 1 . 1 56 56 GLU C C 13 180.111 0.000 . 1 . . . . A 2272 GLU C . 34886 1 663 . 1 . 1 56 56 GLU CA C 13 59.609 0.056 . 1 . . . . A 2272 GLU CA . 34886 1 664 . 1 . 1 56 56 GLU CB C 13 29.556 0.073 . 1 . . . . A 2272 GLU CB . 34886 1 665 . 1 . 1 56 56 GLU CG C 13 36.131 0.079 . 1 . . . . A 2272 GLU CG . 34886 1 666 . 1 . 1 56 56 GLU N N 15 116.620 0.000 . 1 . . . . A 2272 GLU N . 34886 1 667 . 1 . 1 57 57 LEU H H 1 7.944 0.000 . 1 . . . . A 2273 LEU H . 34886 1 668 . 1 . 1 57 57 LEU HA H 1 4.006 0.003 . 1 . . . . A 2273 LEU HA . 34886 1 669 . 1 . 1 57 57 LEU HB2 H 1 1.904 0.005 . 2 . . . . A 2273 LEU HB2 . 34886 1 670 . 1 . 1 57 57 LEU HB3 H 1 1.266 0.004 . 2 . . . . A 2273 LEU HB3 . 34886 1 671 . 1 . 1 57 57 LEU HG H 1 1.844 0.004 . 1 . . . . A 2273 LEU HG . 34886 1 672 . 1 . 1 57 57 LEU HD11 H 1 0.792 0.002 . 1 . . . . A 2273 LEU HD11 . 34886 1 673 . 1 . 1 57 57 LEU HD12 H 1 0.792 0.002 . 1 . . . . A 2273 LEU HD12 . 34886 1 674 . 1 . 1 57 57 LEU HD13 H 1 0.792 0.002 . 1 . . . . A 2273 LEU HD13 . 34886 1 675 . 1 . 1 57 57 LEU HD21 H 1 0.789 0.003 . 1 . . . . A 2273 LEU HD21 . 34886 1 676 . 1 . 1 57 57 LEU HD22 H 1 0.789 0.003 . 1 . . . . A 2273 LEU HD22 . 34886 1 677 . 1 . 1 57 57 LEU HD23 H 1 0.789 0.003 . 1 . . . . A 2273 LEU HD23 . 34886 1 678 . 1 . 1 57 57 LEU C C 13 180.119 0.000 . 1 . . . . A 2273 LEU C . 34886 1 679 . 1 . 1 57 57 LEU CA C 13 57.779 0.036 . 1 . . . . A 2273 LEU CA . 34886 1 680 . 1 . 1 57 57 LEU CB C 13 42.699 0.065 . 1 . . . . A 2273 LEU CB . 34886 1 681 . 1 . 1 57 57 LEU CG C 13 26.642 0.093 . 1 . . . . A 2273 LEU CG . 34886 1 682 . 1 . 1 57 57 LEU CD1 C 13 26.100 0.076 . 1 . . . . A 2273 LEU CD1 . 34886 1 683 . 1 . 1 57 57 LEU CD2 C 13 22.373 0.106 . 1 . . . . A 2273 LEU CD2 . 34886 1 684 . 1 . 1 57 57 LEU N N 15 118.998 0.000 . 1 . . . . A 2273 LEU N . 34886 1 685 . 1 . 1 58 58 LEU H H 1 8.457 0.000 . 1 . . . . A 2274 LEU H . 34886 1 686 . 1 . 1 58 58 LEU HA H 1 4.026 0.006 . 1 . . . . A 2274 LEU HA . 34886 1 687 . 1 . 1 58 58 LEU HB2 H 1 1.996 0.008 . 2 . . . . A 2274 LEU HB2 . 34886 1 688 . 1 . 1 58 58 LEU HB3 H 1 1.220 0.003 . 2 . . . . A 2274 LEU HB3 . 34886 1 689 . 1 . 1 58 58 LEU HG H 1 1.933 0.003 . 1 . . . . A 2274 LEU HG . 34886 1 690 . 1 . 1 58 58 LEU HD11 H 1 0.692 0.002 . 1 . . . . A 2274 LEU HD11 . 34886 1 691 . 1 . 1 58 58 LEU HD12 H 1 0.692 0.002 . 1 . . . . A 2274 LEU HD12 . 34886 1 692 . 1 . 1 58 58 LEU HD13 H 1 0.692 0.002 . 1 . . . . A 2274 LEU HD13 . 34886 1 693 . 1 . 1 58 58 LEU HD21 H 1 0.965 0.002 . 1 . . . . A 2274 LEU HD21 . 34886 1 694 . 1 . 1 58 58 LEU HD22 H 1 0.965 0.002 . 1 . . . . A 2274 LEU HD22 . 34886 1 695 . 1 . 1 58 58 LEU HD23 H 1 0.965 0.002 . 1 . . . . A 2274 LEU HD23 . 34886 1 696 . 1 . 1 58 58 LEU C C 13 180.134 0.000 . 1 . . . . A 2274 LEU C . 34886 1 697 . 1 . 1 58 58 LEU CA C 13 57.744 0.039 . 1 . . . . A 2274 LEU CA . 34886 1 698 . 1 . 1 58 58 LEU CB C 13 42.214 0.046 . 1 . . . . A 2274 LEU CB . 34886 1 699 . 1 . 1 58 58 LEU CG C 13 27.654 0.149 . 1 . . . . A 2274 LEU CG . 34886 1 700 . 1 . 1 58 58 LEU CD1 C 13 26.239 0.076 . 1 . . . . A 2274 LEU CD1 . 34886 1 701 . 1 . 1 58 58 LEU CD2 C 13 23.856 0.053 . 1 . . . . A 2274 LEU CD2 . 34886 1 702 . 1 . 1 58 58 LEU N N 15 119.162 0.000 . 1 . . . . A 2274 LEU N . 34886 1 703 . 1 . 1 59 59 LEU H H 1 8.552 0.000 . 1 . . . . A 2275 LEU H . 34886 1 704 . 1 . 1 59 59 LEU HA H 1 3.886 0.003 . 1 . . . . A 2275 LEU HA . 34886 1 705 . 1 . 1 59 59 LEU HB2 H 1 1.849 0.005 . 2 . . . . A 2275 LEU HB2 . 34886 1 706 . 1 . 1 59 59 LEU HB3 H 1 1.380 0.001 . 2 . . . . A 2275 LEU HB3 . 34886 1 707 . 1 . 1 59 59 LEU HG H 1 1.826 0.004 . 1 . . . . A 2275 LEU HG . 34886 1 708 . 1 . 1 59 59 LEU HD11 H 1 0.805 0.002 . 1 . . . . A 2275 LEU HD11 . 34886 1 709 . 1 . 1 59 59 LEU HD12 H 1 0.805 0.002 . 1 . . . . A 2275 LEU HD12 . 34886 1 710 . 1 . 1 59 59 LEU HD13 H 1 0.805 0.002 . 1 . . . . A 2275 LEU HD13 . 34886 1 711 . 1 . 1 59 59 LEU HD21 H 1 0.819 0.002 . 1 . . . . A 2275 LEU HD21 . 34886 1 712 . 1 . 1 59 59 LEU HD22 H 1 0.819 0.002 . 1 . . . . A 2275 LEU HD22 . 34886 1 713 . 1 . 1 59 59 LEU HD23 H 1 0.819 0.002 . 1 . . . . A 2275 LEU HD23 . 34886 1 714 . 1 . 1 59 59 LEU C C 13 179.514 0.000 . 1 . . . . A 2275 LEU C . 34886 1 715 . 1 . 1 59 59 LEU CA C 13 57.833 0.034 . 1 . . . . A 2275 LEU CA . 34886 1 716 . 1 . 1 59 59 LEU CB C 13 41.831 0.038 . 1 . . . . A 2275 LEU CB . 34886 1 717 . 1 . 1 59 59 LEU CG C 13 26.896 0.102 . 1 . . . . A 2275 LEU CG . 34886 1 718 . 1 . 1 59 59 LEU CD1 C 13 25.819 0.073 . 1 . . . . A 2275 LEU CD1 . 34886 1 719 . 1 . 1 59 59 LEU CD2 C 13 22.971 0.053 . 1 . . . . A 2275 LEU CD2 . 34886 1 720 . 1 . 1 59 59 LEU N N 15 118.736 0.021 . 1 . . . . A 2275 LEU N . 34886 1 721 . 1 . 1 60 60 ALA H H 1 7.148 0.000 . 1 . . . . A 2276 ALA H . 34886 1 722 . 1 . 1 60 60 ALA HA H 1 4.317 0.003 . 1 . . . . A 2276 ALA HA . 34886 1 723 . 1 . 1 60 60 ALA HB1 H 1 1.492 0.002 . 1 . . . . A 2276 ALA HB1 . 34886 1 724 . 1 . 1 60 60 ALA HB2 H 1 1.492 0.002 . 1 . . . . A 2276 ALA HB2 . 34886 1 725 . 1 . 1 60 60 ALA HB3 H 1 1.492 0.002 . 1 . . . . A 2276 ALA HB3 . 34886 1 726 . 1 . 1 60 60 ALA C C 13 177.988 0.000 . 1 . . . . A 2276 ALA C . 34886 1 727 . 1 . 1 60 60 ALA CA C 13 53.108 0.038 . 1 . . . . A 2276 ALA CA . 34886 1 728 . 1 . 1 60 60 ALA CB C 13 18.580 0.038 . 1 . . . . A 2276 ALA CB . 34886 1 729 . 1 . 1 60 60 ALA N N 15 118.615 0.000 . 1 . . . . A 2276 ALA N . 34886 1 730 . 1 . 1 61 61 MET H H 1 7.466 0.000 . 1 . . . . A 2277 MET H . 34886 1 731 . 1 . 1 61 61 MET HA H 1 4.402 0.002 . 1 . . . . A 2277 MET HA . 34886 1 732 . 1 . 1 61 61 MET HB2 H 1 2.081 0.003 . 2 . . . . A 2277 MET HB2 . 34886 1 733 . 1 . 1 61 61 MET HB3 H 1 2.216 0.005 . 2 . . . . A 2277 MET HB3 . 34886 1 734 . 1 . 1 61 61 MET HG2 H 1 2.618 0.003 . 2 . . . . A 2277 MET HG2 . 34886 1 735 . 1 . 1 61 61 MET HG3 H 1 2.792 0.003 . 2 . . . . A 2277 MET HG3 . 34886 1 736 . 1 . 1 61 61 MET HE1 H 1 1.908 0.000 . 1 . . . . A 2277 MET HE1 . 34886 1 737 . 1 . 1 61 61 MET HE2 H 1 1.908 0.000 . 1 . . . . A 2277 MET HE2 . 34886 1 738 . 1 . 1 61 61 MET HE3 H 1 1.908 0.000 . 1 . . . . A 2277 MET HE3 . 34886 1 739 . 1 . 1 61 61 MET C C 13 175.298 0.000 . 1 . . . . A 2277 MET C . 34886 1 740 . 1 . 1 61 61 MET CA C 13 56.246 0.026 . 1 . . . . A 2277 MET CA . 34886 1 741 . 1 . 1 61 61 MET CB C 13 33.895 0.078 . 1 . . . . A 2277 MET CB . 34886 1 742 . 1 . 1 61 61 MET CG C 13 32.306 0.084 . 1 . . . . A 2277 MET CG . 34886 1 743 . 1 . 1 61 61 MET CE C 13 17.391 0.000 . 1 . . . . A 2277 MET CE . 34886 1 744 . 1 . 1 61 61 MET N N 15 117.163 0.000 . 1 . . . . A 2277 MET N . 34886 1 745 . 1 . 1 62 62 ARG H H 1 7.146 0.000 . 1 . . . . A 2278 ARG H . 34886 1 746 . 1 . 1 62 62 ARG HA H 1 3.987 0.003 . 1 . . . . A 2278 ARG HA . 34886 1 747 . 1 . 1 62 62 ARG HB2 H 1 1.799 0.003 . 2 . . . . A 2278 ARG HB2 . 34886 1 748 . 1 . 1 62 62 ARG HB3 H 1 1.799 0.003 . 2 . . . . A 2278 ARG HB3 . 34886 1 749 . 1 . 1 62 62 ARG HG2 H 1 1.575 0.001 . 2 . . . . A 2278 ARG HG2 . 34886 1 750 . 1 . 1 62 62 ARG HG3 H 1 1.747 0.006 . 2 . . . . A 2278 ARG HG3 . 34886 1 751 . 1 . 1 62 62 ARG HD2 H 1 3.116 0.006 . 2 . . . . A 2278 ARG HD2 . 34886 1 752 . 1 . 1 62 62 ARG HD3 H 1 3.116 0.006 . 2 . . . . A 2278 ARG HD3 . 34886 1 753 . 1 . 1 62 62 ARG HE H 1 7.757 0.000 . 1 . . . . A 2278 ARG HE . 34886 1 754 . 1 . 1 62 62 ARG HH11 H 1 6.567 0.000 . 2 . . . . A 2278 ARG HH11 . 34886 1 755 . 1 . 1 62 62 ARG HH12 H 1 6.567 0.000 . 2 . . . . A 2278 ARG HH12 . 34886 1 756 . 1 . 1 62 62 ARG C C 13 180.892 0.000 . 1 . . . . A 2278 ARG C . 34886 1 757 . 1 . 1 62 62 ARG CA C 13 58.725 0.049 . 1 . . . . A 2278 ARG CA . 34886 1 758 . 1 . 1 62 62 ARG CB C 13 31.206 0.076 . 1 . . . . A 2278 ARG CB . 34886 1 759 . 1 . 1 62 62 ARG CG C 13 27.296 0.078 . 1 . . . . A 2278 ARG CG . 34886 1 760 . 1 . 1 62 62 ARG CD C 13 43.984 0.040 . 1 . . . . A 2278 ARG CD . 34886 1 761 . 1 . 1 62 62 ARG CZ C 13 159.723 0.000 . 1 . . . . A 2278 ARG CZ . 34886 1 762 . 1 . 1 62 62 ARG N N 15 125.340 0.000 . 1 . . . . A 2278 ARG N . 34886 1 763 . 1 . 1 62 62 ARG NE N 15 84.983 0.000 . 1 . . . . A 2278 ARG NE . 34886 1 764 . 2 . 2 1 1 GLY HA2 H 1 3.941 0.000 . 2 . . . . B -5 GLY HA2 . 34886 1 765 . 2 . 2 1 1 GLY HA3 H 1 3.941 0.000 . 2 . . . . B -5 GLY HA3 . 34886 1 766 . 2 . 2 1 1 GLY CA C 13 43.321 0.000 . 1 . . . . B -5 GLY CA . 34886 1 767 . 2 . 2 2 2 PRO HA H 1 4.419 0.001 . 1 . . . . B -4 PRO HA . 34886 1 768 . 2 . 2 2 2 PRO HB2 H 1 1.933 0.004 . 2 . . . . B -4 PRO HB2 . 34886 1 769 . 2 . 2 2 2 PRO HB3 H 1 2.270 0.004 . 2 . . . . B -4 PRO HB3 . 34886 1 770 . 2 . 2 2 2 PRO HG2 H 1 1.986 0.001 . 2 . . . . B -4 PRO HG2 . 34886 1 771 . 2 . 2 2 2 PRO HG3 H 1 1.986 0.001 . 2 . . . . B -4 PRO HG3 . 34886 1 772 . 2 . 2 2 2 PRO HD2 H 1 3.553 0.004 . 2 . . . . B -4 PRO HD2 . 34886 1 773 . 2 . 2 2 2 PRO HD3 H 1 3.536 0.001 . 2 . . . . B -4 PRO HD3 . 34886 1 774 . 2 . 2 2 2 PRO C C 13 177.456 0.000 . 1 . . . . B -4 PRO C . 34886 1 775 . 2 . 2 2 2 PRO CA C 13 63.442 0.038 . 1 . . . . B -4 PRO CA . 34886 1 776 . 2 . 2 2 2 PRO CB C 13 32.158 0.011 . 1 . . . . B -4 PRO CB . 34886 1 777 . 2 . 2 2 2 PRO CG C 13 27.061 0.039 . 1 . . . . B -4 PRO CG . 34886 1 778 . 2 . 2 2 2 PRO CD C 13 49.636 0.025 . 1 . . . . B -4 PRO CD . 34886 1 779 . 2 . 2 3 3 GLY H H 1 8.596 0.000 . 1 . . . . B -3 GLY H . 34886 1 780 . 2 . 2 3 3 GLY HA2 H 1 3.912 0.001 . 2 . . . . B -3 GLY HA2 . 34886 1 781 . 2 . 2 3 3 GLY HA3 H 1 3.912 0.001 . 2 . . . . B -3 GLY HA3 . 34886 1 782 . 2 . 2 3 3 GLY C C 13 174.201 0.000 . 1 . . . . B -3 GLY C . 34886 1 783 . 2 . 2 3 3 GLY CA C 13 45.291 0.025 . 1 . . . . B -3 GLY CA . 34886 1 784 . 2 . 2 3 3 GLY N N 15 109.692 0.007 . 1 . . . . B -3 GLY N . 34886 1 785 . 2 . 2 4 4 SER H H 1 8.094 0.001 . 1 . . . . B -2 SER H . 34886 1 786 . 2 . 2 4 4 SER HA H 1 4.365 0.002 . 1 . . . . B -2 SER HA . 34886 1 787 . 2 . 2 4 4 SER HB2 H 1 3.750 0.000 . 2 . . . . B -2 SER HB2 . 34886 1 788 . 2 . 2 4 4 SER HB3 H 1 3.750 0.000 . 2 . . . . B -2 SER HB3 . 34886 1 789 . 2 . 2 4 4 SER C C 13 174.254 0.000 . 1 . . . . B -2 SER C . 34886 1 790 . 2 . 2 4 4 SER CA C 13 58.372 0.021 . 1 . . . . B -2 SER CA . 34886 1 791 . 2 . 2 4 4 SER CB C 13 63.716 0.050 . 1 . . . . B -2 SER CB . 34886 1 792 . 2 . 2 4 4 SER N N 15 115.609 0.005 . 1 . . . . B -2 SER N . 34886 1 793 . 2 . 2 5 5 TYR H H 1 8.195 0.002 . 1 . . . . B -1 TYR H . 34886 1 794 . 2 . 2 5 5 TYR HA H 1 4.518 0.003 . 1 . . . . B -1 TYR HA . 34886 1 795 . 2 . 2 5 5 TYR HB2 H 1 2.932 0.001 . 2 . . . . B -1 TYR HB2 . 34886 1 796 . 2 . 2 5 5 TYR HB3 H 1 2.997 0.002 . 2 . . . . B -1 TYR HB3 . 34886 1 797 . 2 . 2 5 5 TYR HD1 H 1 7.047 0.008 . 1 . . . . B -1 TYR HD1 . 34886 1 798 . 2 . 2 5 5 TYR HD2 H 1 7.047 0.008 . 1 . . . . B -1 TYR HD2 . 34886 1 799 . 2 . 2 5 5 TYR HE1 H 1 6.761 0.004 . 1 . . . . B -1 TYR HE1 . 34886 1 800 . 2 . 2 5 5 TYR HE2 H 1 6.761 0.004 . 1 . . . . B -1 TYR HE2 . 34886 1 801 . 2 . 2 5 5 TYR C C 13 175.643 0.000 . 1 . . . . B -1 TYR C . 34886 1 802 . 2 . 2 5 5 TYR CA C 13 58.025 0.035 . 1 . . . . B -1 TYR CA . 34886 1 803 . 2 . 2 5 5 TYR CB C 13 38.534 0.031 . 1 . . . . B -1 TYR CB . 34886 1 804 . 2 . 2 5 5 TYR CD1 C 13 133.237 0.000 . 1 . . . . B -1 TYR CD1 . 34886 1 805 . 2 . 2 5 5 TYR CE1 C 13 118.199 0.030 . 1 . . . . B -1 TYR CE1 . 34886 1 806 . 2 . 2 5 5 TYR N N 15 121.986 0.003 . 1 . . . . B -1 TYR N . 34886 1 807 . 2 . 2 6 6 MET H H 1 8.144 0.000 . 1 . . . . B 1 MET H . 34886 1 808 . 2 . 2 6 6 MET HA H 1 4.397 0.002 . 1 . . . . B 1 MET HA . 34886 1 809 . 2 . 2 6 6 MET HB2 H 1 1.859 0.003 . 2 . . . . B 1 MET HB2 . 34886 1 810 . 2 . 2 6 6 MET HB3 H 1 1.945 0.003 . 2 . . . . B 1 MET HB3 . 34886 1 811 . 2 . 2 6 6 MET HG2 H 1 2.338 0.006 . 2 . . . . B 1 MET HG2 . 34886 1 812 . 2 . 2 6 6 MET HG3 H 1 2.393 0.002 . 2 . . . . B 1 MET HG3 . 34886 1 813 . 2 . 2 6 6 MET HE1 H 1 2.000 0.000 . 1 . . . . B 1 MET HE1 . 34886 1 814 . 2 . 2 6 6 MET HE2 H 1 2.000 0.000 . 1 . . . . B 1 MET HE2 . 34886 1 815 . 2 . 2 6 6 MET HE3 H 1 2.000 0.000 . 1 . . . . B 1 MET HE3 . 34886 1 816 . 2 . 2 6 6 MET C C 13 175.974 0.000 . 1 . . . . B 1 MET C . 34886 1 817 . 2 . 2 6 6 MET CA C 13 55.391 0.023 . 1 . . . . B 1 MET CA . 34886 1 818 . 2 . 2 6 6 MET CB C 13 32.873 0.031 . 1 . . . . B 1 MET CB . 34886 1 819 . 2 . 2 6 6 MET CG C 13 31.939 0.027 . 1 . . . . B 1 MET CG . 34886 1 820 . 2 . 2 6 6 MET CE C 13 16.874 0.000 . 1 . . . . B 1 MET CE . 34886 1 821 . 2 . 2 6 6 MET N N 15 121.627 0.006 . 1 . . . . B 1 MET N . 34886 1 822 . 2 . 2 7 7 THR H H 1 8.016 0.000 . 1 . . . . B 2 THR H . 34886 1 823 . 2 . 2 7 7 THR HA H 1 4.169 0.002 . 1 . . . . B 2 THR HA . 34886 1 824 . 2 . 2 7 7 THR HB H 1 4.038 0.001 . 1 . . . . B 2 THR HB . 34886 1 825 . 2 . 2 7 7 THR HG21 H 1 1.048 0.000 . 1 . . . . B 2 THR HG21 . 34886 1 826 . 2 . 2 7 7 THR HG22 H 1 1.048 0.000 . 1 . . . . B 2 THR HG22 . 34886 1 827 . 2 . 2 7 7 THR HG23 H 1 1.048 0.000 . 1 . . . . B 2 THR HG23 . 34886 1 828 . 2 . 2 7 7 THR C C 13 174.132 0.000 . 1 . . . . B 2 THR C . 34886 1 829 . 2 . 2 7 7 THR CA C 13 61.984 0.017 . 1 . . . . B 2 THR CA . 34886 1 830 . 2 . 2 7 7 THR CB C 13 69.746 0.036 . 1 . . . . B 2 THR CB . 34886 1 831 . 2 . 2 7 7 THR CG2 C 13 21.583 0.016 . 1 . . . . B 2 THR CG2 . 34886 1 832 . 2 . 2 7 7 THR N N 15 114.798 0.002 . 1 . . . . B 2 THR N . 34886 1 833 . 2 . 2 8 8 HIS H H 1 8.297 0.000 . 1 . . . . B 3 HIS H . 34886 1 834 . 2 . 2 8 8 HIS HA H 1 4.596 0.002 . 1 . . . . B 3 HIS HA . 34886 1 835 . 2 . 2 8 8 HIS HB2 H 1 3.015 0.003 . 2 . . . . B 3 HIS HB2 . 34886 1 836 . 2 . 2 8 8 HIS HB3 H 1 3.095 0.006 . 2 . . . . B 3 HIS HB3 . 34886 1 837 . 2 . 2 8 8 HIS HD2 H 1 7.030 0.000 . 1 . . . . B 3 HIS HD2 . 34886 1 838 . 2 . 2 8 8 HIS HE1 H 1 8.202 0.009 . 1 . . . . B 3 HIS HE1 . 34886 1 839 . 2 . 2 8 8 HIS C C 13 174.352 0.000 . 1 . . . . B 3 HIS C . 34886 1 840 . 2 . 2 8 8 HIS CA C 13 55.655 0.048 . 1 . . . . B 3 HIS CA . 34886 1 841 . 2 . 2 8 8 HIS CB C 13 29.590 0.072 . 1 . . . . B 3 HIS CB . 34886 1 842 . 2 . 2 8 8 HIS CD2 C 13 119.856 0.031 . 1 . . . . B 3 HIS CD2 . 34886 1 843 . 2 . 2 8 8 HIS CE1 C 13 137.045 0.035 . 1 . . . . B 3 HIS CE1 . 34886 1 844 . 2 . 2 8 8 HIS N N 15 120.707 0.003 . 1 . . . . B 3 HIS N . 34886 1 845 . 2 . 2 8 8 HIS ND1 N 15 194.365 0.004 . 1 . . . . B 3 HIS ND1 . 34886 1 846 . 2 . 2 8 8 HIS NE2 N 15 176.086 0.004 . 1 . . . . B 3 HIS NE2 . 34886 1 847 . 2 . 2 9 9 PHE H H 1 8.227 0.000 . 1 . . . . B 4 PHE H . 34886 1 848 . 2 . 2 9 9 PHE HA H 1 4.496 0.004 . 1 . . . . B 4 PHE HA . 34886 1 849 . 2 . 2 9 9 PHE HB2 H 1 2.925 0.000 . 2 . . . . B 4 PHE HB2 . 34886 1 850 . 2 . 2 9 9 PHE HB3 H 1 3.031 0.003 . 2 . . . . B 4 PHE HB3 . 34886 1 851 . 2 . 2 9 9 PHE HD1 H 1 7.162 0.000 . 1 . . . . B 4 PHE HD1 . 34886 1 852 . 2 . 2 9 9 PHE HD2 H 1 7.162 0.000 . 1 . . . . B 4 PHE HD2 . 34886 1 853 . 2 . 2 9 9 PHE HE1 H 1 7.274 0.002 . 1 . . . . B 4 PHE HE1 . 34886 1 854 . 2 . 2 9 9 PHE HE2 H 1 7.274 0.002 . 1 . . . . B 4 PHE HE2 . 34886 1 855 . 2 . 2 9 9 PHE HZ H 1 7.233 0.000 . 1 . . . . B 4 PHE HZ . 34886 1 856 . 2 . 2 9 9 PHE C C 13 175.563 0.000 . 1 . . . . B 4 PHE C . 34886 1 857 . 2 . 2 9 9 PHE CA C 13 58.005 0.031 . 1 . . . . B 4 PHE CA . 34886 1 858 . 2 . 2 9 9 PHE CB C 13 39.614 0.028 . 1 . . . . B 4 PHE CB . 34886 1 859 . 2 . 2 9 9 PHE CD1 C 13 131.512 0.059 . 1 . . . . B 4 PHE CD1 . 34886 1 860 . 2 . 2 9 9 PHE CE1 C 13 131.732 0.065 . 1 . . . . B 4 PHE CE1 . 34886 1 861 . 2 . 2 9 9 PHE CZ C 13 129.835 0.000 . 1 . . . . B 4 PHE CZ . 34886 1 862 . 2 . 2 9 9 PHE N N 15 121.988 0.010 . 1 . . . . B 4 PHE N . 34886 1 863 . 2 . 2 10 10 GLU H H 1 8.390 0.000 . 1 . . . . B 5 GLU H . 34886 1 864 . 2 . 2 10 10 GLU HA H 1 4.136 0.001 . 1 . . . . B 5 GLU HA . 34886 1 865 . 2 . 2 10 10 GLU HB2 H 1 1.798 0.001 . 2 . . . . B 5 GLU HB2 . 34886 1 866 . 2 . 2 10 10 GLU HB3 H 1 1.891 0.001 . 2 . . . . B 5 GLU HB3 . 34886 1 867 . 2 . 2 10 10 GLU HG2 H 1 2.125 0.001 . 2 . . . . B 5 GLU HG2 . 34886 1 868 . 2 . 2 10 10 GLU HG3 H 1 2.125 0.001 . 2 . . . . B 5 GLU HG3 . 34886 1 869 . 2 . 2 10 10 GLU C C 13 175.564 0.000 . 1 . . . . B 5 GLU C . 34886 1 870 . 2 . 2 10 10 GLU CA C 13 56.402 0.025 . 1 . . . . B 5 GLU CA . 34886 1 871 . 2 . 2 10 10 GLU CB C 13 30.315 0.037 . 1 . . . . B 5 GLU CB . 34886 1 872 . 2 . 2 10 10 GLU CG C 13 36.130 0.015 . 1 . . . . B 5 GLU CG . 34886 1 873 . 2 . 2 10 10 GLU N N 15 122.268 0.005 . 1 . . . . B 5 GLU N . 34886 1 874 . 2 . 2 11 11 ASP H H 1 8.174 0.000 . 1 . . . . B 6 ASP H . 34886 1 875 . 2 . 2 11 11 ASP HA H 1 4.441 0.002 . 1 . . . . B 6 ASP HA . 34886 1 876 . 2 . 2 11 11 ASP HB2 H 1 2.557 0.005 . 2 . . . . B 6 ASP HB2 . 34886 1 877 . 2 . 2 11 11 ASP HB3 H 1 2.609 0.004 . 2 . . . . B 6 ASP HB3 . 34886 1 878 . 2 . 2 11 11 ASP C C 13 176.121 0.000 . 1 . . . . B 6 ASP C . 34886 1 879 . 2 . 2 11 11 ASP CA C 13 54.153 0.043 . 1 . . . . B 6 ASP CA . 34886 1 880 . 2 . 2 11 11 ASP CB C 13 41.183 0.028 . 1 . . . . B 6 ASP CB . 34886 1 881 . 2 . 2 11 11 ASP N N 15 121.254 0.002 . 1 . . . . B 6 ASP N . 34886 1 882 . 2 . 2 12 12 HIS H H 1 8.361 0.000 . 1 . . . . B 7 HIS H . 34886 1 883 . 2 . 2 12 12 HIS HA H 1 4.598 0.002 . 1 . . . . B 7 HIS HA . 34886 1 884 . 2 . 2 12 12 HIS HB2 H 1 3.076 0.003 . 2 . . . . B 7 HIS HB2 . 34886 1 885 . 2 . 2 12 12 HIS HB3 H 1 3.211 0.004 . 2 . . . . B 7 HIS HB3 . 34886 1 886 . 2 . 2 12 12 HIS HD2 H 1 7.098 0.000 . 1 . . . . B 7 HIS HD2 . 34886 1 887 . 2 . 2 12 12 HIS HE1 H 1 8.242 0.009 . 1 . . . . B 7 HIS HE1 . 34886 1 888 . 2 . 2 12 12 HIS C C 13 174.719 0.000 . 1 . . . . B 7 HIS C . 34886 1 889 . 2 . 2 12 12 HIS CA C 13 55.644 0.040 . 1 . . . . B 7 HIS CA . 34886 1 890 . 2 . 2 12 12 HIS CB C 13 29.130 0.063 . 1 . . . . B 7 HIS CB . 34886 1 891 . 2 . 2 12 12 HIS CD2 C 13 119.864 0.002 . 1 . . . . B 7 HIS CD2 . 34886 1 892 . 2 . 2 12 12 HIS CE1 C 13 137.031 0.037 . 1 . . . . B 7 HIS CE1 . 34886 1 893 . 2 . 2 12 12 HIS N N 15 119.601 0.011 . 1 . . . . B 7 HIS N . 34886 1 894 . 2 . 2 12 12 HIS ND1 N 15 193.005 0.001 . 1 . . . . B 7 HIS ND1 . 34886 1 895 . 2 . 2 12 12 HIS NE2 N 15 176.208 0.003 . 1 . . . . B 7 HIS NE2 . 34886 1 896 . 2 . 2 13 13 ARG H H 1 8.246 0.000 . 1 . . . . B 8 ARG H . 34886 1 897 . 2 . 2 13 13 ARG HA H 1 4.260 0.002 . 1 . . . . B 8 ARG HA . 34886 1 898 . 2 . 2 13 13 ARG HB2 H 1 1.723 0.005 . 2 . . . . B 8 ARG HB2 . 34886 1 899 . 2 . 2 13 13 ARG HB3 H 1 1.723 0.005 . 2 . . . . B 8 ARG HB3 . 34886 1 900 . 2 . 2 13 13 ARG HG2 H 1 1.528 0.004 . 2 . . . . B 8 ARG HG2 . 34886 1 901 . 2 . 2 13 13 ARG HG3 H 1 1.528 0.004 . 2 . . . . B 8 ARG HG3 . 34886 1 902 . 2 . 2 13 13 ARG HD2 H 1 3.107 0.007 . 2 . . . . B 8 ARG HD2 . 34886 1 903 . 2 . 2 13 13 ARG HD3 H 1 3.107 0.007 . 2 . . . . B 8 ARG HD3 . 34886 1 904 . 2 . 2 13 13 ARG HE H 1 7.431 0.000 . 1 . . . . B 8 ARG HE . 34886 1 905 . 2 . 2 13 13 ARG C C 13 176.407 0.000 . 1 . . . . B 8 ARG C . 34886 1 906 . 2 . 2 13 13 ARG CA C 13 56.332 0.032 . 1 . . . . B 8 ARG CA . 34886 1 907 . 2 . 2 13 13 ARG CB C 13 30.697 0.028 . 1 . . . . B 8 ARG CB . 34886 1 908 . 2 . 2 13 13 ARG CG C 13 26.943 0.050 . 1 . . . . B 8 ARG CG . 34886 1 909 . 2 . 2 13 13 ARG CD C 13 43.283 0.023 . 1 . . . . B 8 ARG CD . 34886 1 910 . 2 . 2 13 13 ARG N N 15 122.040 0.013 . 1 . . . . B 8 ARG N . 34886 1 911 . 2 . 2 13 13 ARG NE N 15 84.729 0.000 . 1 . . . . B 8 ARG NE . 34886 1 912 . 2 . 2 14 14 VAL H H 1 8.227 0.000 . 1 . . . . B 9 VAL H . 34886 1 913 . 2 . 2 14 14 VAL HA H 1 4.063 0.001 . 1 . . . . B 9 VAL HA . 34886 1 914 . 2 . 2 14 14 VAL HB H 1 2.028 0.001 . 1 . . . . B 9 VAL HB . 34886 1 915 . 2 . 2 14 14 VAL HG11 H 1 0.889 0.002 . 2 . . . . B 9 VAL HG11 . 34886 1 916 . 2 . 2 14 14 VAL HG12 H 1 0.889 0.002 . 2 . . . . B 9 VAL HG12 . 34886 1 917 . 2 . 2 14 14 VAL HG13 H 1 0.889 0.002 . 2 . . . . B 9 VAL HG13 . 34886 1 918 . 2 . 2 14 14 VAL HG21 H 1 0.901 0.002 . 2 . . . . B 9 VAL HG21 . 34886 1 919 . 2 . 2 14 14 VAL HG22 H 1 0.901 0.002 . 2 . . . . B 9 VAL HG22 . 34886 1 920 . 2 . 2 14 14 VAL HG23 H 1 0.901 0.002 . 2 . . . . B 9 VAL HG23 . 34886 1 921 . 2 . 2 14 14 VAL C C 13 176.733 0.000 . 1 . . . . B 9 VAL C . 34886 1 922 . 2 . 2 14 14 VAL CA C 13 62.492 0.017 . 1 . . . . B 9 VAL CA . 34886 1 923 . 2 . 2 14 14 VAL CB C 13 32.724 0.036 . 1 . . . . B 9 VAL CB . 34886 1 924 . 2 . 2 14 14 VAL CG1 C 13 21.105 0.043 . 1 . . . . B 9 VAL CG1 . 34886 1 925 . 2 . 2 14 14 VAL CG2 C 13 20.652 0.028 . 1 . . . . B 9 VAL CG2 . 34886 1 926 . 2 . 2 14 14 VAL N N 15 121.262 0.013 . 1 . . . . B 9 VAL N . 34886 1 927 . 2 . 2 15 15 GLY H H 1 8.540 0.001 . 1 . . . . B 10 GLY H . 34886 1 928 . 2 . 2 15 15 GLY HA2 H 1 3.945 0.008 . 2 . . . . B 10 GLY HA2 . 34886 1 929 . 2 . 2 15 15 GLY HA3 H 1 3.945 0.008 . 2 . . . . B 10 GLY HA3 . 34886 1 930 . 2 . 2 15 15 GLY C C 13 174.477 0.000 . 1 . . . . B 10 GLY C . 34886 1 931 . 2 . 2 15 15 GLY CA C 13 45.377 0.052 . 1 . . . . B 10 GLY CA . 34886 1 932 . 2 . 2 15 15 GLY N N 15 112.780 0.003 . 1 . . . . B 10 GLY N . 34886 1 933 . 2 . 2 16 16 SER H H 1 8.254 0.000 . 1 . . . . B 11 SER H . 34886 1 934 . 2 . 2 16 16 SER HA H 1 4.362 0.002 . 1 . . . . B 11 SER HA . 34886 1 935 . 2 . 2 16 16 SER HB2 H 1 3.793 0.003 . 2 . . . . B 11 SER HB2 . 34886 1 936 . 2 . 2 16 16 SER HB3 H 1 3.865 0.000 . 2 . . . . B 11 SER HB3 . 34886 1 937 . 2 . 2 16 16 SER C C 13 174.527 0.000 . 1 . . . . B 11 SER C . 34886 1 938 . 2 . 2 16 16 SER CA C 13 58.757 0.056 . 1 . . . . B 11 SER CA . 34886 1 939 . 2 . 2 16 16 SER CB C 13 63.757 0.028 . 1 . . . . B 11 SER CB . 34886 1 940 . 2 . 2 16 16 SER N N 15 115.796 0.008 . 1 . . . . B 11 SER N . 34886 1 941 . 2 . 2 17 17 ASP H H 1 8.423 0.000 . 1 . . . . B 12 ASP H . 34886 1 942 . 2 . 2 17 17 ASP HA H 1 4.530 0.005 . 1 . . . . B 12 ASP HA . 34886 1 943 . 2 . 2 17 17 ASP HB2 H 1 2.630 0.001 . 2 . . . . B 12 ASP HB2 . 34886 1 944 . 2 . 2 17 17 ASP HB3 H 1 2.630 0.001 . 2 . . . . B 12 ASP HB3 . 34886 1 945 . 2 . 2 17 17 ASP C C 13 176.294 0.000 . 1 . . . . B 12 ASP C . 34886 1 946 . 2 . 2 17 17 ASP CA C 13 54.495 0.053 . 1 . . . . B 12 ASP CA . 34886 1 947 . 2 . 2 17 17 ASP CB C 13 40.898 0.083 . 1 . . . . B 12 ASP CB . 34886 1 948 . 2 . 2 17 17 ASP N N 15 121.986 0.006 . 1 . . . . B 12 ASP N . 34886 1 949 . 2 . 2 18 18 ARG H H 1 8.097 0.000 . 1 . . . . B 13 ARG H . 34886 1 950 . 2 . 2 18 18 ARG HA H 1 4.215 0.006 . 1 . . . . B 13 ARG HA . 34886 1 951 . 2 . 2 18 18 ARG HB2 H 1 1.703 0.002 . 2 . . . . B 13 ARG HB2 . 34886 1 952 . 2 . 2 18 18 ARG HB3 H 1 1.800 0.002 . 2 . . . . B 13 ARG HB3 . 34886 1 953 . 2 . 2 18 18 ARG HG2 H 1 1.550 0.001 . 2 . . . . B 13 ARG HG2 . 34886 1 954 . 2 . 2 18 18 ARG HG3 H 1 1.550 0.001 . 2 . . . . B 13 ARG HG3 . 34886 1 955 . 2 . 2 18 18 ARG HD2 H 1 3.127 0.002 . 2 . . . . B 13 ARG HD2 . 34886 1 956 . 2 . 2 18 18 ARG HD3 H 1 3.127 0.002 . 2 . . . . B 13 ARG HD3 . 34886 1 957 . 2 . 2 18 18 ARG HE H 1 7.261 0.000 . 1 . . . . B 13 ARG HE . 34886 1 958 . 2 . 2 18 18 ARG C C 13 176.251 0.000 . 1 . . . . B 13 ARG C . 34886 1 959 . 2 . 2 18 18 ARG CA C 13 56.281 0.024 . 1 . . . . B 13 ARG CA . 34886 1 960 . 2 . 2 18 18 ARG CB C 13 30.542 0.028 . 1 . . . . B 13 ARG CB . 34886 1 961 . 2 . 2 18 18 ARG CG C 13 26.977 0.014 . 1 . . . . B 13 ARG CG . 34886 1 962 . 2 . 2 18 18 ARG CD C 13 43.234 0.006 . 1 . . . . B 13 ARG CD . 34886 1 963 . 2 . 2 18 18 ARG N N 15 120.767 0.010 . 1 . . . . B 13 ARG N . 34886 1 964 . 2 . 2 18 18 ARG NE N 15 84.585 0.000 . 1 . . . . B 13 ARG NE . 34886 1 965 . 2 . 2 19 19 LEU H H 1 8.174 0.000 . 1 . . . . B 14 LEU H . 34886 1 966 . 2 . 2 19 19 LEU HA H 1 4.261 0.001 . 1 . . . . B 14 LEU HA . 34886 1 967 . 2 . 2 19 19 LEU HB2 H 1 1.521 0.003 . 2 . . . . B 14 LEU HB2 . 34886 1 968 . 2 . 2 19 19 LEU HB3 H 1 1.599 0.002 . 2 . . . . B 14 LEU HB3 . 34886 1 969 . 2 . 2 19 19 LEU HG H 1 1.567 0.002 . 1 . . . . B 14 LEU HG . 34886 1 970 . 2 . 2 19 19 LEU HD11 H 1 0.864 0.000 . 1 . . . . B 14 LEU HD11 . 34886 1 971 . 2 . 2 19 19 LEU HD12 H 1 0.864 0.000 . 1 . . . . B 14 LEU HD12 . 34886 1 972 . 2 . 2 19 19 LEU HD13 H 1 0.864 0.000 . 1 . . . . B 14 LEU HD13 . 34886 1 973 . 2 . 2 19 19 LEU HD21 H 1 0.803 0.001 . 1 . . . . B 14 LEU HD21 . 34886 1 974 . 2 . 2 19 19 LEU HD22 H 1 0.803 0.001 . 1 . . . . B 14 LEU HD22 . 34886 1 975 . 2 . 2 19 19 LEU HD23 H 1 0.803 0.001 . 1 . . . . B 14 LEU HD23 . 34886 1 976 . 2 . 2 19 19 LEU C C 13 177.177 0.000 . 1 . . . . B 14 LEU C . 34886 1 977 . 2 . 2 19 19 LEU CA C 13 55.129 0.023 . 1 . . . . B 14 LEU CA . 34886 1 978 . 2 . 2 19 19 LEU CB C 13 42.130 0.033 . 1 . . . . B 14 LEU CB . 34886 1 979 . 2 . 2 19 19 LEU CG C 13 26.998 0.047 . 1 . . . . B 14 LEU CG . 34886 1 980 . 2 . 2 19 19 LEU CD1 C 13 24.907 0.036 . 1 . . . . B 14 LEU CD1 . 34886 1 981 . 2 . 2 19 19 LEU CD2 C 13 23.422 0.023 . 1 . . . . B 14 LEU CD2 . 34886 1 982 . 2 . 2 19 19 LEU N N 15 122.634 0.005 . 1 . . . . B 14 LEU N . 34886 1 983 . 2 . 2 20 20 ALA H H 1 8.144 0.000 . 1 . . . . B 15 ALA H . 34886 1 984 . 2 . 2 20 20 ALA HA H 1 4.220 0.003 . 1 . . . . B 15 ALA HA . 34886 1 985 . 2 . 2 20 20 ALA HB1 H 1 1.325 0.001 . 1 . . . . B 15 ALA HB1 . 34886 1 986 . 2 . 2 20 20 ALA HB2 H 1 1.325 0.001 . 1 . . . . B 15 ALA HB2 . 34886 1 987 . 2 . 2 20 20 ALA HB3 H 1 1.325 0.001 . 1 . . . . B 15 ALA HB3 . 34886 1 988 . 2 . 2 20 20 ALA C C 13 177.584 0.000 . 1 . . . . B 15 ALA C . 34886 1 989 . 2 . 2 20 20 ALA CA C 13 52.492 0.022 . 1 . . . . B 15 ALA CA . 34886 1 990 . 2 . 2 20 20 ALA CB C 13 19.168 0.021 . 1 . . . . B 15 ALA CB . 34886 1 991 . 2 . 2 20 20 ALA N N 15 124.590 0.007 . 1 . . . . B 15 ALA N . 34886 1 992 . 2 . 2 21 21 ALA H H 1 8.220 0.000 . 1 . . . . B 16 ALA H . 34886 1 993 . 2 . 2 21 21 ALA HA H 1 4.240 0.003 . 1 . . . . B 16 ALA HA . 34886 1 994 . 2 . 2 21 21 ALA HB1 H 1 1.327 0.004 . 1 . . . . B 16 ALA HB1 . 34886 1 995 . 2 . 2 21 21 ALA HB2 H 1 1.327 0.004 . 1 . . . . B 16 ALA HB2 . 34886 1 996 . 2 . 2 21 21 ALA HB3 H 1 1.327 0.004 . 1 . . . . B 16 ALA HB3 . 34886 1 997 . 2 . 2 21 21 ALA C C 13 177.524 0.000 . 1 . . . . B 16 ALA C . 34886 1 998 . 2 . 2 21 21 ALA CA C 13 52.501 0.039 . 1 . . . . B 16 ALA CA . 34886 1 999 . 2 . 2 21 21 ALA CB C 13 19.143 0.031 . 1 . . . . B 16 ALA CB . 34886 1 1000 . 2 . 2 21 21 ALA N N 15 123.223 0.014 . 1 . . . . B 16 ALA N . 34886 1 1001 . 2 . 2 22 22 ASP H H 1 8.194 0.000 . 1 . . . . B 17 ASP H . 34886 1 1002 . 2 . 2 22 22 ASP HA H 1 4.521 0.004 . 1 . . . . B 17 ASP HA . 34886 1 1003 . 2 . 2 22 22 ASP HB2 H 1 2.624 0.002 . 2 . . . . B 17 ASP HB2 . 34886 1 1004 . 2 . 2 22 22 ASP HB3 H 1 2.624 0.002 . 2 . . . . B 17 ASP HB3 . 34886 1 1005 . 2 . 2 22 22 ASP C C 13 176.752 0.000 . 1 . . . . B 17 ASP C . 34886 1 1006 . 2 . 2 22 22 ASP CA C 13 54.512 0.046 . 1 . . . . B 17 ASP CA . 34886 1 1007 . 2 . 2 22 22 ASP CB C 13 41.070 0.048 . 1 . . . . B 17 ASP CB . 34886 1 1008 . 2 . 2 22 22 ASP N N 15 119.150 0.006 . 1 . . . . B 17 ASP N . 34886 1 1009 . 2 . 2 23 23 GLY H H 1 8.184 0.000 . 1 . . . . B 18 GLY H . 34886 1 1010 . 2 . 2 23 23 GLY HA2 H 1 3.897 0.003 . 2 . . . . B 18 GLY HA2 . 34886 1 1011 . 2 . 2 23 23 GLY HA3 H 1 3.897 0.003 . 2 . . . . B 18 GLY HA3 . 34886 1 1012 . 2 . 2 23 23 GLY C C 13 174.006 0.000 . 1 . . . . B 18 GLY C . 34886 1 1013 . 2 . 2 23 23 GLY CA C 13 45.260 0.006 . 1 . . . . B 18 GLY CA . 34886 1 1014 . 2 . 2 23 23 GLY N N 15 108.872 0.002 . 1 . . . . B 18 GLY N . 34886 1 1015 . 2 . 2 24 24 GLU H H 1 8.113 0.000 . 1 . . . . B 19 GLU H . 34886 1 1016 . 2 . 2 24 24 GLU HA H 1 4.343 0.003 . 1 . . . . B 19 GLU HA . 34886 1 1017 . 2 . 2 24 24 GLU HB2 H 1 1.994 0.002 . 2 . . . . B 19 GLU HB2 . 34886 1 1018 . 2 . 2 24 24 GLU HB3 H 1 1.889 0.003 . 2 . . . . B 19 GLU HB3 . 34886 1 1019 . 2 . 2 24 24 GLU HG2 H 1 2.200 0.003 . 2 . . . . B 19 GLU HG2 . 34886 1 1020 . 2 . 2 24 24 GLU HG3 H 1 2.307 0.002 . 2 . . . . B 19 GLU HG3 . 34886 1 1021 . 2 . 2 24 24 GLU C C 13 176.376 0.000 . 1 . . . . B 19 GLU C . 34886 1 1022 . 2 . 2 24 24 GLU CA C 13 55.920 0.037 . 1 . . . . B 19 GLU CA . 34886 1 1023 . 2 . 2 24 24 GLU CB C 13 30.396 0.042 . 1 . . . . B 19 GLU CB . 34886 1 1024 . 2 . 2 24 24 GLU CG C 13 36.013 0.037 . 1 . . . . B 19 GLU CG . 34886 1 1025 . 2 . 2 24 24 GLU N N 15 120.781 0.019 . 1 . . . . B 19 GLU N . 34886 1 1026 . 2 . 2 25 25 ILE H H 1 7.789 0.000 . 1 . . . . B 20 ILE H . 34886 1 1027 . 2 . 2 25 25 ILE HA H 1 4.483 0.002 . 1 . . . . B 20 ILE HA . 34886 1 1028 . 2 . 2 25 25 ILE HB H 1 1.896 0.001 . 1 . . . . B 20 ILE HB . 34886 1 1029 . 2 . 2 25 25 ILE HG12 H 1 1.089 0.003 . 2 . . . . B 20 ILE HG12 . 34886 1 1030 . 2 . 2 25 25 ILE HG13 H 1 1.368 0.002 . 2 . . . . B 20 ILE HG13 . 34886 1 1031 . 2 . 2 25 25 ILE HG21 H 1 0.834 0.001 . 1 . . . . B 20 ILE HG21 . 34886 1 1032 . 2 . 2 25 25 ILE HG22 H 1 0.834 0.001 . 1 . . . . B 20 ILE HG22 . 34886 1 1033 . 2 . 2 25 25 ILE HG23 H 1 0.834 0.001 . 1 . . . . B 20 ILE HG23 . 34886 1 1034 . 2 . 2 25 25 ILE HD11 H 1 0.678 0.001 . 1 . . . . B 20 ILE HD11 . 34886 1 1035 . 2 . 2 25 25 ILE HD12 H 1 0.678 0.001 . 1 . . . . B 20 ILE HD12 . 34886 1 1036 . 2 . 2 25 25 ILE HD13 H 1 0.678 0.001 . 1 . . . . B 20 ILE HD13 . 34886 1 1037 . 2 . 2 25 25 ILE C C 13 175.906 0.000 . 1 . . . . B 20 ILE C . 34886 1 1038 . 2 . 2 25 25 ILE CA C 13 60.696 0.036 . 1 . . . . B 20 ILE CA . 34886 1 1039 . 2 . 2 25 25 ILE CB C 13 40.087 0.026 . 1 . . . . B 20 ILE CB . 34886 1 1040 . 2 . 2 25 25 ILE CG1 C 13 25.731 0.037 . 1 . . . . B 20 ILE CG1 . 34886 1 1041 . 2 . 2 25 25 ILE CG2 C 13 17.389 0.025 . 1 . . . . B 20 ILE CG2 . 34886 1 1042 . 2 . 2 25 25 ILE CD1 C 13 14.014 0.030 . 1 . . . . B 20 ILE CD1 . 34886 1 1043 . 2 . 2 25 25 ILE N N 15 118.860 0.008 . 1 . . . . B 20 ILE N . 34886 1 1044 . 2 . 2 26 26 SER H H 1 8.944 0.000 . 1 . . . . B 21 SER H . 34886 1 1045 . 2 . 2 26 26 SER HA H 1 4.596 0.003 . 1 . . . . B 21 SER HA . 34886 1 1046 . 2 . 2 26 26 SER HB2 H 1 4.030 0.002 . 2 . . . . B 21 SER HB2 . 34886 1 1047 . 2 . 2 26 26 SER HB3 H 1 4.456 0.002 . 2 . . . . B 21 SER HB3 . 34886 1 1048 . 2 . 2 26 26 SER C C 13 175.253 0.000 . 1 . . . . B 21 SER C . 34886 1 1049 . 2 . 2 26 26 SER CA C 13 56.846 0.070 . 1 . . . . B 21 SER CA . 34886 1 1050 . 2 . 2 26 26 SER CB C 13 65.958 0.020 . 1 . . . . B 21 SER CB . 34886 1 1051 . 2 . 2 26 26 SER N N 15 119.822 0.016 . 1 . . . . B 21 SER N . 34886 1 1052 . 2 . 2 27 27 ALA H H 1 9.240 0.001 . 1 . . . . B 22 ALA H . 34886 1 1053 . 2 . 2 27 27 ALA HA H 1 3.943 0.005 . 1 . . . . B 22 ALA HA . 34886 1 1054 . 2 . 2 27 27 ALA HB1 H 1 1.414 0.001 . 1 . . . . B 22 ALA HB1 . 34886 1 1055 . 2 . 2 27 27 ALA HB2 H 1 1.414 0.001 . 1 . . . . B 22 ALA HB2 . 34886 1 1056 . 2 . 2 27 27 ALA HB3 H 1 1.414 0.001 . 1 . . . . B 22 ALA HB3 . 34886 1 1057 . 2 . 2 27 27 ALA C C 13 179.030 0.000 . 1 . . . . B 22 ALA C . 34886 1 1058 . 2 . 2 27 27 ALA CA C 13 56.055 0.091 . 1 . . . . B 22 ALA CA . 34886 1 1059 . 2 . 2 27 27 ALA CB C 13 18.038 0.042 . 1 . . . . B 22 ALA CB . 34886 1 1060 . 2 . 2 27 27 ALA N N 15 123.325 0.039 . 1 . . . . B 22 ALA N . 34886 1 1061 . 2 . 2 28 28 ASP H H 1 8.351 0.000 . 1 . . . . B 23 ASP H . 34886 1 1062 . 2 . 2 28 28 ASP HA H 1 4.397 0.007 . 1 . . . . B 23 ASP HA . 34886 1 1063 . 2 . 2 28 28 ASP HB2 H 1 2.506 0.002 . 2 . . . . B 23 ASP HB2 . 34886 1 1064 . 2 . 2 28 28 ASP HB3 H 1 2.550 0.002 . 2 . . . . B 23 ASP HB3 . 34886 1 1065 . 2 . 2 28 28 ASP C C 13 179.340 0.000 . 1 . . . . B 23 ASP C . 34886 1 1066 . 2 . 2 28 28 ASP CA C 13 57.755 0.038 . 1 . . . . B 23 ASP CA . 34886 1 1067 . 2 . 2 28 28 ASP CB C 13 40.927 0.036 . 1 . . . . B 23 ASP CB . 34886 1 1068 . 2 . 2 28 28 ASP N N 15 115.594 0.018 . 1 . . . . B 23 ASP N . 34886 1 1069 . 2 . 2 29 29 GLU H H 1 7.947 0.000 . 1 . . . . B 24 GLU H . 34886 1 1070 . 2 . 2 29 29 GLU HA H 1 3.968 0.002 . 1 . . . . B 24 GLU HA . 34886 1 1071 . 2 . 2 29 29 GLU HB2 H 1 1.898 0.001 . 2 . . . . B 24 GLU HB2 . 34886 1 1072 . 2 . 2 29 29 GLU HB3 H 1 2.238 0.003 . 2 . . . . B 24 GLU HB3 . 34886 1 1073 . 2 . 2 29 29 GLU HG2 H 1 2.222 0.003 . 2 . . . . B 24 GLU HG2 . 34886 1 1074 . 2 . 2 29 29 GLU HG3 H 1 2.274 0.005 . 2 . . . . B 24 GLU HG3 . 34886 1 1075 . 2 . 2 29 29 GLU C C 13 179.531 0.000 . 1 . . . . B 24 GLU C . 34886 1 1076 . 2 . 2 29 29 GLU CA C 13 59.119 0.014 . 1 . . . . B 24 GLU CA . 34886 1 1077 . 2 . 2 29 29 GLU CB C 13 29.724 0.044 . 1 . . . . B 24 GLU CB . 34886 1 1078 . 2 . 2 29 29 GLU CG C 13 37.034 0.027 . 1 . . . . B 24 GLU CG . 34886 1 1079 . 2 . 2 29 29 GLU N N 15 121.971 0.005 . 1 . . . . B 24 GLU N . 34886 1 1080 . 2 . 2 30 30 ALA H H 1 8.477 0.000 . 1 . . . . B 25 ALA H . 34886 1 1081 . 2 . 2 30 30 ALA HA H 1 3.990 0.003 . 1 . . . . B 25 ALA HA . 34886 1 1082 . 2 . 2 30 30 ALA HB1 H 1 1.428 0.001 . 1 . . . . B 25 ALA HB1 . 34886 1 1083 . 2 . 2 30 30 ALA HB2 H 1 1.428 0.001 . 1 . . . . B 25 ALA HB2 . 34886 1 1084 . 2 . 2 30 30 ALA HB3 H 1 1.428 0.001 . 1 . . . . B 25 ALA HB3 . 34886 1 1085 . 2 . 2 30 30 ALA C C 13 179.118 0.000 . 1 . . . . B 25 ALA C . 34886 1 1086 . 2 . 2 30 30 ALA CA C 13 55.070 0.020 . 1 . . . . B 25 ALA CA . 34886 1 1087 . 2 . 2 30 30 ALA CB C 13 19.702 0.042 . 1 . . . . B 25 ALA CB . 34886 1 1088 . 2 . 2 30 30 ALA N N 15 122.982 0.024 . 1 . . . . B 25 ALA N . 34886 1 1089 . 2 . 2 31 31 LEU H H 1 8.457 0.000 . 1 . . . . B 26 LEU H . 34886 1 1090 . 2 . 2 31 31 LEU HA H 1 3.804 0.002 . 1 . . . . B 26 LEU HA . 34886 1 1091 . 2 . 2 31 31 LEU HB2 H 1 1.501 0.003 . 2 . . . . B 26 LEU HB2 . 34886 1 1092 . 2 . 2 31 31 LEU HB3 H 1 1.962 0.002 . 2 . . . . B 26 LEU HB3 . 34886 1 1093 . 2 . 2 31 31 LEU HG H 1 1.678 0.002 . 1 . . . . B 26 LEU HG . 34886 1 1094 . 2 . 2 31 31 LEU HD11 H 1 0.793 0.001 . 1 . . . . B 26 LEU HD11 . 34886 1 1095 . 2 . 2 31 31 LEU HD12 H 1 0.793 0.001 . 1 . . . . B 26 LEU HD12 . 34886 1 1096 . 2 . 2 31 31 LEU HD13 H 1 0.793 0.001 . 1 . . . . B 26 LEU HD13 . 34886 1 1097 . 2 . 2 31 31 LEU HD21 H 1 0.918 0.001 . 1 . . . . B 26 LEU HD21 . 34886 1 1098 . 2 . 2 31 31 LEU HD22 H 1 0.918 0.001 . 1 . . . . B 26 LEU HD22 . 34886 1 1099 . 2 . 2 31 31 LEU HD23 H 1 0.918 0.001 . 1 . . . . B 26 LEU HD23 . 34886 1 1100 . 2 . 2 31 31 LEU C C 13 179.284 0.000 . 1 . . . . B 26 LEU C . 34886 1 1101 . 2 . 2 31 31 LEU CA C 13 58.627 0.020 . 1 . . . . B 26 LEU CA . 34886 1 1102 . 2 . 2 31 31 LEU CB C 13 41.594 0.040 . 1 . . . . B 26 LEU CB . 34886 1 1103 . 2 . 2 31 31 LEU CG C 13 27.785 0.034 . 1 . . . . B 26 LEU CG . 34886 1 1104 . 2 . 2 31 31 LEU CD1 C 13 25.277 0.075 . 1 . . . . B 26 LEU CD1 . 34886 1 1105 . 2 . 2 31 31 LEU CD2 C 13 24.889 0.023 . 1 . . . . B 26 LEU CD2 . 34886 1 1106 . 2 . 2 31 31 LEU N N 15 119.504 0.025 . 1 . . . . B 26 LEU N . 34886 1 1107 . 2 . 2 32 32 SER H H 1 7.626 0.000 . 1 . . . . B 27 SER H . 34886 1 1108 . 2 . 2 32 32 SER HA H 1 4.274 0.002 . 1 . . . . B 27 SER HA . 34886 1 1109 . 2 . 2 32 32 SER HB2 H 1 3.960 0.001 . 2 . . . . B 27 SER HB2 . 34886 1 1110 . 2 . 2 32 32 SER HB3 H 1 3.960 0.001 . 2 . . . . B 27 SER HB3 . 34886 1 1111 . 2 . 2 32 32 SER C C 13 177.149 0.000 . 1 . . . . B 27 SER C . 34886 1 1112 . 2 . 2 32 32 SER CA C 13 61.399 0.083 . 1 . . . . B 27 SER CA . 34886 1 1113 . 2 . 2 32 32 SER CB C 13 62.818 0.019 . 1 . . . . B 27 SER CB . 34886 1 1114 . 2 . 2 32 32 SER N N 15 114.438 0.013 . 1 . . . . B 27 SER N . 34886 1 1115 . 2 . 2 33 33 MET H H 1 7.949 0.000 . 1 . . . . B 28 MET H . 34886 1 1116 . 2 . 2 33 33 MET HA H 1 4.114 0.002 . 1 . . . . B 28 MET HA . 34886 1 1117 . 2 . 2 33 33 MET HB2 H 1 2.006 0.003 . 2 . . . . B 28 MET HB2 . 34886 1 1118 . 2 . 2 33 33 MET HB3 H 1 2.235 0.003 . 2 . . . . B 28 MET HB3 . 34886 1 1119 . 2 . 2 33 33 MET HG2 H 1 2.725 0.001 . 2 . . . . B 28 MET HG2 . 34886 1 1120 . 2 . 2 33 33 MET HG3 H 1 2.484 0.002 . 2 . . . . B 28 MET HG3 . 34886 1 1121 . 2 . 2 33 33 MET HE1 H 1 2.006 0.000 . 1 . . . . B 28 MET HE1 . 34886 1 1122 . 2 . 2 33 33 MET HE2 H 1 2.006 0.000 . 1 . . . . B 28 MET HE2 . 34886 1 1123 . 2 . 2 33 33 MET HE3 H 1 2.006 0.000 . 1 . . . . B 28 MET HE3 . 34886 1 1124 . 2 . 2 33 33 MET C C 13 178.570 0.000 . 1 . . . . B 28 MET C . 34886 1 1125 . 2 . 2 33 33 MET CA C 13 58.679 0.030 . 1 . . . . B 28 MET CA . 34886 1 1126 . 2 . 2 33 33 MET CB C 13 33.014 0.068 . 1 . . . . B 28 MET CB . 34886 1 1127 . 2 . 2 33 33 MET CG C 13 32.374 0.039 . 1 . . . . B 28 MET CG . 34886 1 1128 . 2 . 2 33 33 MET CE C 13 17.405 0.000 . 1 . . . . B 28 MET CE . 34886 1 1129 . 2 . 2 33 33 MET N N 15 121.637 0.004 . 1 . . . . B 28 MET N . 34886 1 1130 . 2 . 2 34 34 LEU H H 1 8.007 0.000 . 1 . . . . B 29 LEU H . 34886 1 1131 . 2 . 2 34 34 LEU HA H 1 3.929 0.002 . 1 . . . . B 29 LEU HA . 34886 1 1132 . 2 . 2 34 34 LEU HB2 H 1 1.678 0.002 . 2 . . . . B 29 LEU HB2 . 34886 1 1133 . 2 . 2 34 34 LEU HB3 H 1 1.753 0.001 . 2 . . . . B 29 LEU HB3 . 34886 1 1134 . 2 . 2 34 34 LEU HG H 1 1.803 0.002 . 1 . . . . B 29 LEU HG . 34886 1 1135 . 2 . 2 34 34 LEU HD11 H 1 0.821 0.001 . 1 . . . . B 29 LEU HD11 . 34886 1 1136 . 2 . 2 34 34 LEU HD12 H 1 0.821 0.001 . 1 . . . . B 29 LEU HD12 . 34886 1 1137 . 2 . 2 34 34 LEU HD13 H 1 0.821 0.001 . 1 . . . . B 29 LEU HD13 . 34886 1 1138 . 2 . 2 34 34 LEU HD21 H 1 0.770 0.001 . 1 . . . . B 29 LEU HD21 . 34886 1 1139 . 2 . 2 34 34 LEU HD22 H 1 0.770 0.001 . 1 . . . . B 29 LEU HD22 . 34886 1 1140 . 2 . 2 34 34 LEU HD23 H 1 0.770 0.001 . 1 . . . . B 29 LEU HD23 . 34886 1 1141 . 2 . 2 34 34 LEU C C 13 178.888 0.000 . 1 . . . . B 29 LEU C . 34886 1 1142 . 2 . 2 34 34 LEU CA C 13 57.431 0.023 . 1 . . . . B 29 LEU CA . 34886 1 1143 . 2 . 2 34 34 LEU CB C 13 41.661 0.031 . 1 . . . . B 29 LEU CB . 34886 1 1144 . 2 . 2 34 34 LEU CG C 13 26.244 0.089 . 1 . . . . B 29 LEU CG . 34886 1 1145 . 2 . 2 34 34 LEU CD1 C 13 26.153 0.019 . 1 . . . . B 29 LEU CD1 . 34886 1 1146 . 2 . 2 34 34 LEU CD2 C 13 24.420 0.053 . 1 . . . . B 29 LEU CD2 . 34886 1 1147 . 2 . 2 34 34 LEU N N 15 119.614 0.002 . 1 . . . . B 29 LEU N . 34886 1 1148 . 2 . 2 35 35 ASP H H 1 7.912 0.000 . 1 . . . . B 30 ASP H . 34886 1 1149 . 2 . 2 35 35 ASP HA H 1 4.351 0.001 . 1 . . . . B 30 ASP HA . 34886 1 1150 . 2 . 2 35 35 ASP HB2 H 1 2.664 0.001 . 2 . . . . B 30 ASP HB2 . 34886 1 1151 . 2 . 2 35 35 ASP HB3 H 1 2.709 0.002 . 2 . . . . B 30 ASP HB3 . 34886 1 1152 . 2 . 2 35 35 ASP C C 13 177.324 0.000 . 1 . . . . B 30 ASP C . 34886 1 1153 . 2 . 2 35 35 ASP CA C 13 56.617 0.055 . 1 . . . . B 30 ASP CA . 34886 1 1154 . 2 . 2 35 35 ASP CB C 13 40.294 0.031 . 1 . . . . B 30 ASP CB . 34886 1 1155 . 2 . 2 35 35 ASP N N 15 118.503 0.012 . 1 . . . . B 30 ASP N . 34886 1 1156 . 2 . 2 36 36 ALA H H 1 7.548 0.000 . 1 . . . . B 31 ALA H . 34886 1 1157 . 2 . 2 36 36 ALA HA H 1 4.274 0.002 . 1 . . . . B 31 ALA HA . 34886 1 1158 . 2 . 2 36 36 ALA HB1 H 1 1.423 0.001 . 1 . . . . B 31 ALA HB1 . 34886 1 1159 . 2 . 2 36 36 ALA HB2 H 1 1.423 0.001 . 1 . . . . B 31 ALA HB2 . 34886 1 1160 . 2 . 2 36 36 ALA HB3 H 1 1.423 0.001 . 1 . . . . B 31 ALA HB3 . 34886 1 1161 . 2 . 2 36 36 ALA C C 13 178.980 0.000 . 1 . . . . B 31 ALA C . 34886 1 1162 . 2 . 2 36 36 ALA CA C 13 53.130 0.034 . 1 . . . . B 31 ALA CA . 34886 1 1163 . 2 . 2 36 36 ALA CB C 13 18.850 0.042 . 1 . . . . B 31 ALA CB . 34886 1 1164 . 2 . 2 36 36 ALA N N 15 121.208 0.009 . 1 . . . . B 31 ALA N . 34886 1 1165 . 2 . 2 37 37 ILE H H 1 7.672 0.001 . 1 . . . . B 32 ILE H . 34886 1 1166 . 2 . 2 37 37 ILE HA H 1 3.928 0.001 . 1 . . . . B 32 ILE HA . 34886 1 1167 . 2 . 2 37 37 ILE HB H 1 1.873 0.004 . 1 . . . . B 32 ILE HB . 34886 1 1168 . 2 . 2 37 37 ILE HG12 H 1 1.122 0.002 . 2 . . . . B 32 ILE HG12 . 34886 1 1169 . 2 . 2 37 37 ILE HG13 H 1 1.702 0.003 . 2 . . . . B 32 ILE HG13 . 34886 1 1170 . 2 . 2 37 37 ILE HG21 H 1 0.856 0.002 . 1 . . . . B 32 ILE HG21 . 34886 1 1171 . 2 . 2 37 37 ILE HG22 H 1 0.856 0.002 . 1 . . . . B 32 ILE HG22 . 34886 1 1172 . 2 . 2 37 37 ILE HG23 H 1 0.856 0.002 . 1 . . . . B 32 ILE HG23 . 34886 1 1173 . 2 . 2 37 37 ILE HD11 H 1 0.778 0.001 . 1 . . . . B 32 ILE HD11 . 34886 1 1174 . 2 . 2 37 37 ILE HD12 H 1 0.778 0.001 . 1 . . . . B 32 ILE HD12 . 34886 1 1175 . 2 . 2 37 37 ILE HD13 H 1 0.778 0.001 . 1 . . . . B 32 ILE HD13 . 34886 1 1176 . 2 . 2 37 37 ILE C C 13 177.433 0.000 . 1 . . . . B 32 ILE C . 34886 1 1177 . 2 . 2 37 37 ILE CA C 13 63.237 0.023 . 1 . . . . B 32 ILE CA . 34886 1 1178 . 2 . 2 37 37 ILE CB C 13 38.556 0.028 . 1 . . . . B 32 ILE CB . 34886 1 1179 . 2 . 2 37 37 ILE CG1 C 13 27.995 0.027 . 1 . . . . B 32 ILE CG1 . 34886 1 1180 . 2 . 2 37 37 ILE CG2 C 13 17.154 0.043 . 1 . . . . B 32 ILE CG2 . 34886 1 1181 . 2 . 2 37 37 ILE CD1 C 13 13.957 0.033 . 1 . . . . B 32 ILE CD1 . 34886 1 1182 . 2 . 2 37 37 ILE N N 15 119.073 0.013 . 1 . . . . B 32 ILE N . 34886 1 1183 . 2 . 2 38 38 GLY H H 1 8.177 0.000 . 1 . . . . B 33 GLY H . 34886 1 1184 . 2 . 2 38 38 GLY HA2 H 1 3.990 0.003 . 2 . . . . B 33 GLY HA2 . 34886 1 1185 . 2 . 2 38 38 GLY HA3 H 1 3.990 0.003 . 2 . . . . B 33 GLY HA3 . 34886 1 1186 . 2 . 2 38 38 GLY C C 13 174.694 0.000 . 1 . . . . B 33 GLY C . 34886 1 1187 . 2 . 2 38 38 GLY CA C 13 45.567 0.050 . 1 . . . . B 33 GLY CA . 34886 1 1188 . 2 . 2 38 38 GLY N N 15 110.045 0.006 . 1 . . . . B 33 GLY N . 34886 1 1189 . 2 . 2 39 39 THR H H 1 8.033 0.000 . 1 . . . . B 34 THR H . 34886 1 1190 . 2 . 2 39 39 THR HA H 1 4.344 0.002 . 1 . . . . B 34 THR HA . 34886 1 1191 . 2 . 2 39 39 THR HB H 1 4.290 0.002 . 1 . . . . B 34 THR HB . 34886 1 1192 . 2 . 2 39 39 THR HG21 H 1 1.198 0.002 . 1 . . . . B 34 THR HG21 . 34886 1 1193 . 2 . 2 39 39 THR HG22 H 1 1.198 0.002 . 1 . . . . B 34 THR HG22 . 34886 1 1194 . 2 . 2 39 39 THR HG23 H 1 1.198 0.002 . 1 . . . . B 34 THR HG23 . 34886 1 1195 . 2 . 2 39 39 THR C C 13 175.649 0.000 . 1 . . . . B 34 THR C . 34886 1 1196 . 2 . 2 39 39 THR CA C 13 62.160 0.044 . 1 . . . . B 34 THR CA . 34886 1 1197 . 2 . 2 39 39 THR CB C 13 69.890 0.031 . 1 . . . . B 34 THR CB . 34886 1 1198 . 2 . 2 39 39 THR CG2 C 13 21.484 0.039 . 1 . . . . B 34 THR CG2 . 34886 1 1199 . 2 . 2 39 39 THR N N 15 112.592 0.007 . 1 . . . . B 34 THR N . 34886 1 1200 . 2 . 2 40 40 GLY H H 1 8.381 0.000 . 1 . . . . B 35 GLY H . 34886 1 1201 . 2 . 2 40 40 GLY HA2 H 1 3.950 0.001 . 2 . . . . B 35 GLY HA2 . 34886 1 1202 . 2 . 2 40 40 GLY HA3 H 1 3.950 0.001 . 2 . . . . B 35 GLY HA3 . 34886 1 1203 . 2 . 2 40 40 GLY C C 13 174.209 0.000 . 1 . . . . B 35 GLY C . 34886 1 1204 . 2 . 2 40 40 GLY CA C 13 45.524 0.020 . 1 . . . . B 35 GLY CA . 34886 1 1205 . 2 . 2 40 40 GLY N N 15 110.995 0.003 . 1 . . . . B 35 GLY N . 34886 1 1206 . 2 . 2 41 41 GLN H H 1 8.202 0.000 . 1 . . . . B 36 GLN H . 34886 1 1207 . 2 . 2 41 41 GLN HA H 1 4.374 0.002 . 1 . . . . B 36 GLN HA . 34886 1 1208 . 2 . 2 41 41 GLN HB2 H 1 1.934 0.003 . 2 . . . . B 36 GLN HB2 . 34886 1 1209 . 2 . 2 41 41 GLN HB3 H 1 2.094 0.002 . 2 . . . . B 36 GLN HB3 . 34886 1 1210 . 2 . 2 41 41 GLN HG2 H 1 2.320 0.001 . 2 . . . . B 36 GLN HG2 . 34886 1 1211 . 2 . 2 41 41 GLN HG3 H 1 2.320 0.001 . 2 . . . . B 36 GLN HG3 . 34886 1 1212 . 2 . 2 41 41 GLN HE21 H 1 7.517 0.000 . 2 . . . . B 36 GLN HE21 . 34886 1 1213 . 2 . 2 41 41 GLN HE22 H 1 6.834 0.000 . 2 . . . . B 36 GLN HE22 . 34886 1 1214 . 2 . 2 41 41 GLN C C 13 176.039 0.000 . 1 . . . . B 36 GLN C . 34886 1 1215 . 2 . 2 41 41 GLN CA C 13 55.680 0.030 . 1 . . . . B 36 GLN CA . 34886 1 1216 . 2 . 2 41 41 GLN CB C 13 29.673 0.036 . 1 . . . . B 36 GLN CB . 34886 1 1217 . 2 . 2 41 41 GLN CG C 13 33.781 0.028 . 1 . . . . B 36 GLN CG . 34886 1 1218 . 2 . 2 41 41 GLN N N 15 119.737 0.006 . 1 . . . . B 36 GLN N . 34886 1 1219 . 2 . 2 41 41 GLN NE2 N 15 112.584 0.001 . 1 . . . . B 36 GLN NE2 . 34886 1 1220 . 2 . 2 42 42 SER H H 1 8.417 0.000 . 1 . . . . B 37 SER H . 34886 1 1221 . 2 . 2 42 42 SER HA H 1 4.479 0.002 . 1 . . . . B 37 SER HA . 34886 1 1222 . 2 . 2 42 42 SER HB2 H 1 3.822 0.001 . 2 . . . . B 37 SER HB2 . 34886 1 1223 . 2 . 2 42 42 SER HB3 H 1 3.822 0.001 . 2 . . . . B 37 SER HB3 . 34886 1 1224 . 2 . 2 42 42 SER C C 13 174.262 0.000 . 1 . . . . B 37 SER C . 34886 1 1225 . 2 . 2 42 42 SER CA C 13 58.263 0.014 . 1 . . . . B 37 SER CA . 34886 1 1226 . 2 . 2 42 42 SER CB C 13 63.812 0.032 . 1 . . . . B 37 SER CB . 34886 1 1227 . 2 . 2 42 42 SER N N 15 117.508 0.011 . 1 . . . . B 37 SER N . 34886 1 1228 . 2 . 2 43 43 THR H H 1 8.233 0.000 . 1 . . . . B 38 THR H . 34886 1 1229 . 2 . 2 43 43 THR HA H 1 4.580 0.001 . 1 . . . . B 38 THR HA . 34886 1 1230 . 2 . 2 43 43 THR HB H 1 4.104 0.002 . 1 . . . . B 38 THR HB . 34886 1 1231 . 2 . 2 43 43 THR HG21 H 1 1.203 0.002 . 1 . . . . B 38 THR HG21 . 34886 1 1232 . 2 . 2 43 43 THR HG22 H 1 1.203 0.002 . 1 . . . . B 38 THR HG22 . 34886 1 1233 . 2 . 2 43 43 THR HG23 H 1 1.203 0.002 . 1 . . . . B 38 THR HG23 . 34886 1 1234 . 2 . 2 43 43 THR CA C 13 59.853 0.031 . 1 . . . . B 38 THR CA . 34886 1 1235 . 2 . 2 43 43 THR CB C 13 69.753 0.027 . 1 . . . . B 38 THR CB . 34886 1 1236 . 2 . 2 43 43 THR CG2 C 13 21.426 0.020 . 1 . . . . B 38 THR CG2 . 34886 1 1237 . 2 . 2 43 43 THR N N 15 118.533 0.003 . 1 . . . . B 38 THR N . 34886 1 1238 . 2 . 2 44 44 PRO HA H 1 4.466 0.001 . 1 . . . . B 39 PRO HA . 34886 1 1239 . 2 . 2 44 44 PRO HB2 H 1 1.902 0.002 . 2 . . . . B 39 PRO HB2 . 34886 1 1240 . 2 . 2 44 44 PRO HB3 H 1 2.286 0.004 . 2 . . . . B 39 PRO HB3 . 34886 1 1241 . 2 . 2 44 44 PRO HG2 H 1 1.960 0.001 . 2 . . . . B 39 PRO HG2 . 34886 1 1242 . 2 . 2 44 44 PRO HG3 H 1 2.011 0.003 . 2 . . . . B 39 PRO HG3 . 34886 1 1243 . 2 . 2 44 44 PRO HD2 H 1 3.831 0.001 . 2 . . . . B 39 PRO HD2 . 34886 1 1244 . 2 . 2 44 44 PRO HD3 H 1 3.680 0.001 . 2 . . . . B 39 PRO HD3 . 34886 1 1245 . 2 . 2 44 44 PRO C C 13 177.249 0.000 . 1 . . . . B 39 PRO C . 34886 1 1246 . 2 . 2 44 44 PRO CA C 13 63.325 0.017 . 1 . . . . B 39 PRO CA . 34886 1 1247 . 2 . 2 44 44 PRO CB C 13 32.163 0.018 . 1 . . . . B 39 PRO CB . 34886 1 1248 . 2 . 2 44 44 PRO CG C 13 27.404 0.030 . 1 . . . . B 39 PRO CG . 34886 1 1249 . 2 . 2 44 44 PRO CD C 13 51.141 0.040 . 1 . . . . B 39 PRO CD . 34886 1 1250 . 2 . 2 45 45 THR H H 1 8.365 0.000 . 1 . . . . B 40 THR H . 34886 1 1251 . 2 . 2 45 45 THR HA H 1 4.297 0.002 . 1 . . . . B 40 THR HA . 34886 1 1252 . 2 . 2 45 45 THR HB H 1 4.208 0.001 . 1 . . . . B 40 THR HB . 34886 1 1253 . 2 . 2 45 45 THR HG21 H 1 1.199 0.001 . 1 . . . . B 40 THR HG21 . 34886 1 1254 . 2 . 2 45 45 THR HG22 H 1 1.199 0.001 . 1 . . . . B 40 THR HG22 . 34886 1 1255 . 2 . 2 45 45 THR HG23 H 1 1.199 0.001 . 1 . . . . B 40 THR HG23 . 34886 1 1256 . 2 . 2 45 45 THR C C 13 175.316 0.000 . 1 . . . . B 40 THR C . 34886 1 1257 . 2 . 2 45 45 THR CA C 13 62.013 0.022 . 1 . . . . B 40 THR CA . 34886 1 1258 . 2 . 2 45 45 THR CB C 13 70.010 0.018 . 1 . . . . B 40 THR CB . 34886 1 1259 . 2 . 2 45 45 THR CG2 C 13 21.530 0.022 . 1 . . . . B 40 THR CG2 . 34886 1 1260 . 2 . 2 45 45 THR N N 15 114.542 0.005 . 1 . . . . B 40 THR N . 34886 1 1261 . 2 . 2 46 46 GLY H H 1 8.446 0.000 . 1 . . . . B 41 GLY H . 34886 1 1262 . 2 . 2 46 46 GLY HA2 H 1 3.944 0.000 . 2 . . . . B 41 GLY HA2 . 34886 1 1263 . 2 . 2 46 46 GLY HA3 H 1 3.944 0.000 . 2 . . . . B 41 GLY HA3 . 34886 1 1264 . 2 . 2 46 46 GLY C C 13 173.843 0.000 . 1 . . . . B 41 GLY C . 34886 1 1265 . 2 . 2 46 46 GLY CA C 13 45.270 0.011 . 1 . . . . B 41 GLY CA . 34886 1 1266 . 2 . 2 46 46 GLY N N 15 111.748 0.007 . 1 . . . . B 41 GLY N . 34886 1 1267 . 2 . 2 47 47 ALA H H 1 8.168 0.000 . 1 . . . . B 42 ALA H . 34886 1 1268 . 2 . 2 47 47 ALA HA H 1 4.307 0.002 . 1 . . . . B 42 ALA HA . 34886 1 1269 . 2 . 2 47 47 ALA HB1 H 1 1.330 0.001 . 1 . . . . B 42 ALA HB1 . 34886 1 1270 . 2 . 2 47 47 ALA HB2 H 1 1.330 0.001 . 1 . . . . B 42 ALA HB2 . 34886 1 1271 . 2 . 2 47 47 ALA HB3 H 1 1.330 0.001 . 1 . . . . B 42 ALA HB3 . 34886 1 1272 . 2 . 2 47 47 ALA C C 13 177.415 0.000 . 1 . . . . B 42 ALA C . 34886 1 1273 . 2 . 2 47 47 ALA CA C 13 52.468 0.022 . 1 . . . . B 42 ALA CA . 34886 1 1274 . 2 . 2 47 47 ALA CB C 13 19.481 0.028 . 1 . . . . B 42 ALA CB . 34886 1 1275 . 2 . 2 47 47 ALA N N 15 123.831 0.005 . 1 . . . . B 42 ALA N . 34886 1 1276 . 2 . 2 48 48 ASP H H 1 8.324 0.000 . 1 . . . . B 43 ASP H . 34886 1 1277 . 2 . 2 48 48 ASP HA H 1 4.617 0.001 . 1 . . . . B 43 ASP HA . 34886 1 1278 . 2 . 2 48 48 ASP HB2 H 1 2.505 0.002 . 2 . . . . B 43 ASP HB2 . 34886 1 1279 . 2 . 2 48 48 ASP HB3 H 1 2.716 0.001 . 2 . . . . B 43 ASP HB3 . 34886 1 1280 . 2 . 2 48 48 ASP C C 13 175.074 0.000 . 1 . . . . B 43 ASP C . 34886 1 1281 . 2 . 2 48 48 ASP CA C 13 54.199 0.021 . 1 . . . . B 43 ASP CA . 34886 1 1282 . 2 . 2 48 48 ASP CB C 13 41.211 0.029 . 1 . . . . B 43 ASP CB . 34886 1 1283 . 2 . 2 48 48 ASP N N 15 119.602 0.005 . 1 . . . . B 43 ASP N . 34886 1 1284 . 2 . 2 49 49 ASP H H 1 7.772 0.000 . 1 . . . . B 44 ASP H . 34886 1 1285 . 2 . 2 49 49 ASP HA H 1 4.305 0.001 . 1 . . . . B 44 ASP HA . 34886 1 1286 . 2 . 2 49 49 ASP HB2 H 1 2.522 0.004 . 2 . . . . B 44 ASP HB2 . 34886 1 1287 . 2 . 2 49 49 ASP HB3 H 1 2.593 0.003 . 2 . . . . B 44 ASP HB3 . 34886 1 1288 . 2 . 2 49 49 ASP CA C 13 55.850 0.009 . 1 . . . . B 44 ASP CA . 34886 1 1289 . 2 . 2 49 49 ASP CB C 13 42.100 0.069 . 1 . . . . B 44 ASP CB . 34886 1 1290 . 2 . 2 49 49 ASP N N 15 125.712 0.012 . 1 . . . . B 44 ASP N . 34886 1 stop_ save_