data_27432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27432 _Entry.Title ; Solution structure of the cross-linked dimer of the SLy1 SAM domain S320C mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-21 _Entry.Accession_date 2018-03-21 _Entry.Last_release_date 2018-03-21 _Entry.Original_release_date 2018-03-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Laura Kukuk . K. . . 27432 2 Andrew Dingley . J. . . 27432 3 Bernd Koenig . W. . . 27432 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 27432 '15N chemical shifts' 72 27432 '1H chemical shifts' 504 27432 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-01-25 . original BMRB . 27432 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27432 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30631134 _Citation.Full_citation . _Citation.Title ; Structure of the SLy1 SAM homodimer reveals a new interface for SAM domain self-association. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 54 _Citation.Page_last 54 _Citation.Year 2019 _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 Laura Kukuk L. . . . 27432 1 2 Andrew Dingley A. J. . . 27432 1 3 Joachim Granzin J. . . . 27432 1 4 Luitgard Nagel-Steger L. . . . 27432 1 5 Pallavi Thiagarajan-Rosenkranz P. . . . 27432 1 6 Daniel Ciupka D. . . . 27432 1 7 Karen Hanel K. . . . 27432 1 8 Renu Batra-Safferling R. . . . 27432 1 9 Victor Pacheco V. . . . 27432 1 10 Matthias Stoldt M. . . . 27432 1 11 Klaus Pfeffer K. . . . 27432 1 12 Sandra Beer-Hammer S. . . . 27432 1 13 Dieter Willbold D. . . . 27432 1 14 Bernd Koenig B. W. . . 27432 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SAM 27432 1 SASH3 27432 1 Sly1 27432 1 homodimer 27432 1 'solution NMR' 27432 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27432 _Assembly.ID 1 _Assembly.Name 'SLy1 SAM dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 15881.8268 _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 'SAM A' 1 $Sly1_SAM A . yes native no no . . . 27432 1 2 'SAM B' 1 $Sly1_SAM B . no native no no . . . 27432 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 68 68 SG . 2 . 1 CYS 68 68 SG . 'SAM A' . 320 CYS SG . 'SAM B' . 320 CYS SG 27432 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6fxf . . X-ray 2.05 'Structure of the non-crosslinked SLy1 SAM domain' . 27432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sly1_SAM _Entity.Sf_category entity _Entity.Sf_framecode Sly1_SAM _Entity.Entry_ID 27432 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sly1_SAM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPKTLHELLERIGLEEHTST LLLNGYQTLEDFKELRETHL NELNIMDPQHRAKLLTAAEL LLDYDTGCE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'SAM domain' _Entity.Mutation S320C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7940.9134 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP Q8K352 . SASH3 . . . . . . . . . . . . . . 27432 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Scaffold protein' 27432 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 253 GLY . 27432 1 2 254 PRO . 27432 1 3 255 LYS . 27432 1 4 256 THR . 27432 1 5 257 LEU . 27432 1 6 258 HIS . 27432 1 7 259 GLU . 27432 1 8 260 LEU . 27432 1 9 261 LEU . 27432 1 10 262 GLU . 27432 1 11 263 ARG . 27432 1 12 264 ILE . 27432 1 13 265 GLY . 27432 1 14 266 LEU . 27432 1 15 267 GLU . 27432 1 16 268 GLU . 27432 1 17 269 HIS . 27432 1 18 270 THR . 27432 1 19 271 SER . 27432 1 20 272 THR . 27432 1 21 273 LEU . 27432 1 22 274 LEU . 27432 1 23 275 LEU . 27432 1 24 276 ASN . 27432 1 25 277 GLY . 27432 1 26 278 TYR . 27432 1 27 279 GLN . 27432 1 28 280 THR . 27432 1 29 281 LEU . 27432 1 30 282 GLU . 27432 1 31 283 ASP . 27432 1 32 284 PHE . 27432 1 33 285 LYS . 27432 1 34 286 GLU . 27432 1 35 287 LEU . 27432 1 36 288 ARG . 27432 1 37 289 GLU . 27432 1 38 290 THR . 27432 1 39 291 HIS . 27432 1 40 292 LEU . 27432 1 41 293 ASN . 27432 1 42 294 GLU . 27432 1 43 295 LEU . 27432 1 44 296 ASN . 27432 1 45 297 ILE . 27432 1 46 298 MET . 27432 1 47 299 ASP . 27432 1 48 300 PRO . 27432 1 49 301 GLN . 27432 1 50 302 HIS . 27432 1 51 303 ARG . 27432 1 52 304 ALA . 27432 1 53 305 LYS . 27432 1 54 306 LEU . 27432 1 55 307 LEU . 27432 1 56 308 THR . 27432 1 57 309 ALA . 27432 1 58 310 ALA . 27432 1 59 311 GLU . 27432 1 60 312 LEU . 27432 1 61 313 LEU . 27432 1 62 314 LEU . 27432 1 63 315 ASP . 27432 1 64 316 TYR . 27432 1 65 317 ASP . 27432 1 66 318 THR . 27432 1 67 319 GLY . 27432 1 68 320 CYS . 27432 1 69 321 GLU . 27432 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 27432 1 . PRO 2 2 27432 1 . LYS 3 3 27432 1 . THR 4 4 27432 1 . LEU 5 5 27432 1 . HIS 6 6 27432 1 . GLU 7 7 27432 1 . LEU 8 8 27432 1 . LEU 9 9 27432 1 . GLU 10 10 27432 1 . ARG 11 11 27432 1 . ILE 12 12 27432 1 . GLY 13 13 27432 1 . LEU 14 14 27432 1 . GLU 15 15 27432 1 . GLU 16 16 27432 1 . HIS 17 17 27432 1 . THR 18 18 27432 1 . SER 19 19 27432 1 . THR 20 20 27432 1 . LEU 21 21 27432 1 . LEU 22 22 27432 1 . LEU 23 23 27432 1 . ASN 24 24 27432 1 . GLY 25 25 27432 1 . TYR 26 26 27432 1 . GLN 27 27 27432 1 . THR 28 28 27432 1 . LEU 29 29 27432 1 . GLU 30 30 27432 1 . ASP 31 31 27432 1 . PHE 32 32 27432 1 . LYS 33 33 27432 1 . GLU 34 34 27432 1 . LEU 35 35 27432 1 . ARG 36 36 27432 1 . GLU 37 37 27432 1 . THR 38 38 27432 1 . HIS 39 39 27432 1 . LEU 40 40 27432 1 . ASN 41 41 27432 1 . GLU 42 42 27432 1 . LEU 43 43 27432 1 . ASN 44 44 27432 1 . ILE 45 45 27432 1 . MET 46 46 27432 1 . ASP 47 47 27432 1 . PRO 48 48 27432 1 . GLN 49 49 27432 1 . HIS 50 50 27432 1 . ARG 51 51 27432 1 . ALA 52 52 27432 1 . LYS 53 53 27432 1 . LEU 54 54 27432 1 . LEU 55 55 27432 1 . THR 56 56 27432 1 . ALA 57 57 27432 1 . ALA 58 58 27432 1 . GLU 59 59 27432 1 . LEU 60 60 27432 1 . LEU 61 61 27432 1 . LEU 62 62 27432 1 . ASP 63 63 27432 1 . TYR 64 64 27432 1 . ASP 65 65 27432 1 . THR 66 66 27432 1 . GLY 67 67 27432 1 . CYS 68 68 27432 1 . GLU 69 69 27432 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27432 _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 $Sly1_SAM . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27432 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 27432 _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 $Sly1_SAM . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'E. coli BL21 (DE3)' . . . . . pGEX-6p-2_SLYSAM_sh_C . . . 27432 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27432 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sly1 SAM' '[U-13C; U-15N]' . . 1 $Sly1_SAM . . 1.4 . . mM . . . . 27432 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27432 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 27432 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 27432 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 27432 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27432 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sly1 SAM' '[U-13C; U-15N]' . . 1 $Sly1_SAM . . 0.8 . . mM . . . . 27432 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27432 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 27432 2 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 27432 2 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 27432 2 6 'Sly1 SAM' 'natural abundance' . . . . . . 0.8 . . mM . . . . 27432 2 stop_ save_ ####################### # Sample conditions # ####################### save_SAMsh_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SAMsh_Standard _Sample_condition_list.Entry_ID 27432 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.098 . M 27432 1 pH 6.4 . pH 27432 1 pressure 1 . atm 27432 1 temperature 308 . K 27432 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 27432 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 27432 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27432 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 27432 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 27432 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 27432 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27432 _Software.ID 3 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27432 3 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27432 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27432 3 'data analysis' 27432 3 'peak picking' 27432 3 processing 27432 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27432 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27432 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualization of spectra' 27432 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_600_MHz _NMR_spectrometer.Entry_ID 27432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_Avance_700_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_700_MHz _NMR_spectrometer.Entry_ID 27432 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27432 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance_600_MHz Bruker Avance . 600 . . . 27432 1 2 Bruker_Avance_700_MHz Bruker Avance . 700 . . . 27432 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 27432 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . 27432 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . 27432 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . 27432 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_600_MHz . . . . . . . . . . . . . . . . 27432 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $SAMsh_Standard . . . . $Bruker_Avance_700_MHz . . . . . . . . . . . . . . . . 27432 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27432 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27432 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27432 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27432 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27432 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $SAMsh_Standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . isotropic 27432 1 2 '2D 1H-13C HSQC aliphatic' . . isotropic 27432 1 3 '3D CBCA(CO)NH' . . isotropic 27432 1 4 '3D C(CO)NH' . . isotropic 27432 1 5 '3D HNCO' . . isotropic 27432 1 6 '3D HNCA' . . isotropic 27432 1 7 '3D HNCACB' . . isotropic 27432 1 8 '3D H(CCO)NH' . . isotropic 27432 1 9 '3D HCCH-TOCSY' . . isotropic 27432 1 11 '3D 1H-13C NOESY aromatic' . . isotropic 27432 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CcpNmr_Analysis . . 27432 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.475 0.002 . 1 . . 319 . . 254 PRO HA . 27432 1 2 . 1 1 2 2 PRO HB2 H 1 2.058 . . 2 . . 326 . . 254 PRO HB2 . 27432 1 3 . 1 1 2 2 PRO HB3 H 1 1.859 . . 2 . . 327 . . 254 PRO HB3 . 27432 1 4 . 1 1 2 2 PRO HG2 H 1 1.826 . . 2 . . 324 . . 254 PRO HG2 . 27432 1 5 . 1 1 2 2 PRO HG3 H 1 1.938 . . 2 . . 325 . . 254 PRO HG3 . 27432 1 6 . 1 1 2 2 PRO HD2 H 1 3.424 0.003 . 1 . . 321 . . 254 PRO HD2 . 27432 1 7 . 1 1 2 2 PRO HD3 H 1 3.424 0.003 . 1 . . 320 . . 254 PRO HD3 . 27432 1 8 . 1 1 2 2 PRO C C 13 176.528 . . 1 . . 315 . . 254 PRO C . 27432 1 9 . 1 1 2 2 PRO CA C 13 62.831 . . 1 . . 314 . . 254 PRO CA . 27432 1 10 . 1 1 2 2 PRO CB C 13 31.994 0.008 . 1 . . 316 . . 254 PRO CB . 27432 1 11 . 1 1 2 2 PRO CG C 13 27.209 0.02 . 1 . . 318 . . 254 PRO CG . 27432 1 12 . 1 1 2 2 PRO CD C 13 49.065 . . 1 . . 317 . . 254 PRO CD . 27432 1 13 . 1 1 3 3 LYS H H 1 8.942 0.001 . 1 . . 118 . . 255 LYS H . 27432 1 14 . 1 1 3 3 LYS HA H 1 4.491 . . 1 . . 328 . . 255 LYS HA . 27432 1 15 . 1 1 3 3 LYS HB2 H 1 1.907 . . 2 . . 335 . . 255 LYS HB2 . 27432 1 16 . 1 1 3 3 LYS HB3 H 1 2.009 . . 2 . . 336 . . 255 LYS HB3 . 27432 1 17 . 1 1 3 3 LYS HG2 H 1 1.556 . . 2 . . 339 . . 255 LYS HG2 . 27432 1 18 . 1 1 3 3 LYS HG3 H 1 1.617 . . 2 . . 340 . . 255 LYS HG3 . 27432 1 19 . 1 1 3 3 LYS HD2 H 1 1.696 . . 1 . . 338 . . 255 LYS HD2 . 27432 1 20 . 1 1 3 3 LYS HD3 H 1 1.696 . . 1 . . 337 . . 255 LYS HD3 . 27432 1 21 . 1 1 3 3 LYS HE2 H 1 3.044 . . 1 . . 331 . . 255 LYS HE2 . 27432 1 22 . 1 1 3 3 LYS HE3 H 1 3.044 . . 1 . . 330 . . 255 LYS HE3 . 27432 1 23 . 1 1 3 3 LYS C C 13 176.910 . . 1 . . 313 . . 255 LYS C . 27432 1 24 . 1 1 3 3 LYS CA C 13 56.551 . . 1 . . 311 . . 255 LYS CA . 27432 1 25 . 1 1 3 3 LYS CB C 13 34.119 0.001 . 1 . . 312 . . 255 LYS CB . 27432 1 26 . 1 1 3 3 LYS CG C 13 24.971 0.004 . 1 . . 334 . . 255 LYS CG . 27432 1 27 . 1 1 3 3 LYS CD C 13 28.669 . . 1 . . 333 . . 255 LYS CD . 27432 1 28 . 1 1 3 3 LYS CE C 13 42.295 . . 1 . . 332 . . 255 LYS CE . 27432 1 29 . 1 1 3 3 LYS N N 15 120.338 0.006 . 1 . . 119 . . 255 LYS N . 27432 1 30 . 1 1 4 4 THR H H 1 7.418 0.002 . 1 . . 121 . . 256 THR H . 27432 1 31 . 1 1 4 4 THR HA H 1 4.733 . . 1 . . 346 . . 256 THR HA . 27432 1 32 . 1 1 4 4 THR HB H 1 4.636 . . 1 . . 345 . . 256 THR HB . 27432 1 33 . 1 1 4 4 THR HG21 H 1 1.267 . . 1 . . 347 . . 256 THR HG21 . 27432 1 34 . 1 1 4 4 THR HG22 H 1 1.267 . . 1 . . 347 . . 256 THR HG22 . 27432 1 35 . 1 1 4 4 THR HG23 H 1 1.267 . . 1 . . 347 . . 256 THR HG23 . 27432 1 36 . 1 1 4 4 THR C C 13 174.398 . . 1 . . 343 . . 256 THR C . 27432 1 37 . 1 1 4 4 THR CA C 13 58.961 . . 1 . . 310 . . 256 THR CA . 27432 1 38 . 1 1 4 4 THR CB C 13 72.926 . . 1 . . 309 . . 256 THR CB . 27432 1 39 . 1 1 4 4 THR CG2 C 13 21.814 . . 1 . . 344 . . 256 THR CG2 . 27432 1 40 . 1 1 4 4 THR N N 15 107.285 0.0 . 1 . . 122 . . 256 THR N . 27432 1 41 . 1 1 5 5 LEU H H 1 8.897 0.001 . 1 . . 19 . . 257 LEU H . 27432 1 42 . 1 1 5 5 LEU HA H 1 3.833 . . 1 . . 353 . . 257 LEU HA . 27432 1 43 . 1 1 5 5 LEU HB2 H 1 1.107 . . 2 . . 354 . . 257 LEU HB2 . 27432 1 44 . 1 1 5 5 LEU HB3 H 1 1.675 . . 2 . . 355 . . 257 LEU HB3 . 27432 1 45 . 1 1 5 5 LEU HG H 1 1.324 . . 1 . . 356 . . 257 LEU HG . 27432 1 46 . 1 1 5 5 LEU HD11 H 1 0.762 0.001 . 2 . . 357 . . 257 LEU HD11 . 27432 1 47 . 1 1 5 5 LEU HD12 H 1 0.762 0.001 . 2 . . 357 . . 257 LEU HD12 . 27432 1 48 . 1 1 5 5 LEU HD13 H 1 0.762 0.001 . 2 . . 357 . . 257 LEU HD13 . 27432 1 49 . 1 1 5 5 LEU HD21 H 1 0.474 0.002 . 2 . . 358 . . 257 LEU HD21 . 27432 1 50 . 1 1 5 5 LEU HD22 H 1 0.474 0.002 . 2 . . 358 . . 257 LEU HD22 . 27432 1 51 . 1 1 5 5 LEU HD23 H 1 0.474 0.002 . 2 . . 358 . . 257 LEU HD23 . 27432 1 52 . 1 1 5 5 LEU C C 13 177.932 . . 1 . . 479 . . 257 LEU C . 27432 1 53 . 1 1 5 5 LEU CA C 13 57.951 . . 1 . . 341 . . 257 LEU CA . 27432 1 54 . 1 1 5 5 LEU CB C 13 41.897 0.003 . 1 . . 342 . . 257 LEU CB . 27432 1 55 . 1 1 5 5 LEU CG C 13 27.071 . . 1 . . 350 . . 257 LEU CG . 27432 1 56 . 1 1 5 5 LEU CD1 C 13 25.840 . . 2 . . 352 . . 257 LEU CD1 . 27432 1 57 . 1 1 5 5 LEU CD2 C 13 23.996 . . 2 . . 351 . . 257 LEU CD2 . 27432 1 58 . 1 1 5 5 LEU N N 15 122.546 0.013 . 1 . . 20 . . 257 LEU N . 27432 1 59 . 1 1 6 6 HIS H H 1 8.687 0.0 . 1 . . 39 . . 258 HIS H . 27432 1 60 . 1 1 6 6 HIS HA H 1 4.016 . . 1 . . 363 . . 258 HIS HA . 27432 1 61 . 1 1 6 6 HIS HB2 H 1 3.097 0.0 . 2 . . 359 . . 258 HIS HB2 . 27432 1 62 . 1 1 6 6 HIS HB3 H 1 3.183 0.007 . 2 . . 364 . . 258 HIS HB3 . 27432 1 63 . 1 1 6 6 HIS HD2 H 1 7.255 0.001 . 1 . . 695 . . 258 HIS HD2 . 27432 1 64 . 1 1 6 6 HIS HE1 H 1 8.118 0.008 . 1 . . 761 . . 258 HIS HE1 . 27432 1 65 . 1 1 6 6 HIS C C 13 176.958 . . 1 . . 362 . . 258 HIS C . 27432 1 66 . 1 1 6 6 HIS CA C 13 60.180 . . 1 . . 348 . . 258 HIS CA . 27432 1 67 . 1 1 6 6 HIS CB C 13 29.183 0.002 . 1 . . 349 . . 258 HIS CB . 27432 1 68 . 1 1 6 6 HIS CD2 C 13 119.843 0.144 . 1 . . 760 . . 258 HIS CD2 . 27432 1 69 . 1 1 6 6 HIS CE1 C 13 137.691 0.012 . 1 . . 762 . . 258 HIS CE1 . 27432 1 70 . 1 1 6 6 HIS N N 15 116.303 0.006 . 1 . . 40 . . 258 HIS N . 27432 1 71 . 1 1 7 7 GLU H H 1 7.597 0.001 . 1 . . 35 . . 259 GLU H . 27432 1 72 . 1 1 7 7 GLU HA H 1 3.962 . . 1 . . 365 . . 259 GLU HA . 27432 1 73 . 1 1 7 7 GLU HB2 H 1 2.046 . . 1 . . 369 . . 259 GLU HB2 . 27432 1 74 . 1 1 7 7 GLU HB3 H 1 2.046 . . 1 . . 371 . . 259 GLU HB3 . 27432 1 75 . 1 1 7 7 GLU HG2 H 1 2.323 . . 2 . . 370 . . 259 GLU HG2 . 27432 1 76 . 1 1 7 7 GLU HG3 H 1 2.199 . . 2 . . 372 . . 259 GLU HG3 . 27432 1 77 . 1 1 7 7 GLU C C 13 178.808 . . 1 . . 480 . . 259 GLU C . 27432 1 78 . 1 1 7 7 GLU CA C 13 59.035 . . 1 . . 360 . . 259 GLU CA . 27432 1 79 . 1 1 7 7 GLU CB C 13 30.507 . . 1 . . 361 . . 259 GLU CB . 27432 1 80 . 1 1 7 7 GLU CG C 13 36.868 0.009 . 1 . . 368 . . 259 GLU CG . 27432 1 81 . 1 1 7 7 GLU N N 15 117.887 0.009 . 1 . . 36 . . 259 GLU N . 27432 1 82 . 1 1 8 8 LEU H H 1 7.606 0.0 . 1 . . 61 . . 260 LEU H . 27432 1 83 . 1 1 8 8 LEU HA H 1 3.810 . . 1 . . 373 . . 260 LEU HA . 27432 1 84 . 1 1 8 8 LEU HB2 H 1 1.792 . . 2 . . 382 . . 260 LEU HB2 . 27432 1 85 . 1 1 8 8 LEU HB3 H 1 1.297 . . 2 . . 383 . . 260 LEU HB3 . 27432 1 86 . 1 1 8 8 LEU HG H 1 1.220 . . 1 . . 381 . . 260 LEU HG . 27432 1 87 . 1 1 8 8 LEU HD11 H 1 0.296 0.004 . 2 . . 377 . . 260 LEU HD11 . 27432 1 88 . 1 1 8 8 LEU HD12 H 1 0.296 0.004 . 2 . . 377 . . 260 LEU HD12 . 27432 1 89 . 1 1 8 8 LEU HD13 H 1 0.296 0.004 . 2 . . 377 . . 260 LEU HD13 . 27432 1 90 . 1 1 8 8 LEU HD21 H 1 0.704 0.001 . 2 . . 378 . . 260 LEU HD21 . 27432 1 91 . 1 1 8 8 LEU HD22 H 1 0.704 0.001 . 2 . . 378 . . 260 LEU HD22 . 27432 1 92 . 1 1 8 8 LEU HD23 H 1 0.704 0.001 . 2 . . 378 . . 260 LEU HD23 . 27432 1 93 . 1 1 8 8 LEU C C 13 177.542 . . 1 . . 376 . . 260 LEU C . 27432 1 94 . 1 1 8 8 LEU CA C 13 58.515 . . 1 . . 366 . . 260 LEU CA . 27432 1 95 . 1 1 8 8 LEU CB C 13 41.499 0.014 . 1 . . 367 . . 260 LEU CB . 27432 1 96 . 1 1 8 8 LEU CG C 13 27.408 . . 1 . . 380 . . 260 LEU CG . 27432 1 97 . 1 1 8 8 LEU CD1 C 13 25.565 . . 2 . . 709 . . 260 LEU CD1 . 27432 1 98 . 1 1 8 8 LEU CD2 C 13 24.623 . . 2 . . 710 . . 260 LEU CD2 . 27432 1 99 . 1 1 8 8 LEU N N 15 120.538 0.005 . 1 . . 62 . . 260 LEU N . 27432 1 100 . 1 1 9 9 LEU H H 1 8.049 0.001 . 1 . . 59 . . 261 LEU H . 27432 1 101 . 1 1 9 9 LEU HA H 1 3.675 . . 1 . . 385 . . 261 LEU HA . 27432 1 102 . 1 1 9 9 LEU HB2 H 1 0.851 . . 2 . . 389 . . 261 LEU HB2 . 27432 1 103 . 1 1 9 9 LEU HB3 H 1 1.639 . . 2 . . 390 . . 261 LEU HB3 . 27432 1 104 . 1 1 9 9 LEU HG H 1 1.552 . . 1 . . 1565 . . 261 LEU HG . 27432 1 105 . 1 1 9 9 LEU HD11 H 1 0.477 0.001 . 2 . . 393 . . 261 LEU HD11 . 27432 1 106 . 1 1 9 9 LEU HD12 H 1 0.477 0.001 . 2 . . 393 . . 261 LEU HD12 . 27432 1 107 . 1 1 9 9 LEU HD13 H 1 0.477 0.001 . 2 . . 393 . . 261 LEU HD13 . 27432 1 108 . 1 1 9 9 LEU HD21 H 1 0.707 . . 2 . . 394 . . 261 LEU HD21 . 27432 1 109 . 1 1 9 9 LEU HD22 H 1 0.707 . . 2 . . 394 . . 261 LEU HD22 . 27432 1 110 . 1 1 9 9 LEU HD23 H 1 0.707 . . 2 . . 394 . . 261 LEU HD23 . 27432 1 111 . 1 1 9 9 LEU C C 13 179.422 . . 1 . . 388 . . 261 LEU C . 27432 1 112 . 1 1 9 9 LEU CA C 13 57.668 . . 1 . . 374 . . 261 LEU CA . 27432 1 113 . 1 1 9 9 LEU CB C 13 40.055 0.004 . 1 . . 375 . . 261 LEU CB . 27432 1 114 . 1 1 9 9 LEU CG C 13 27.009 . . 1 . . 1567 . . 261 LEU CG . 27432 1 115 . 1 1 9 9 LEU CD1 C 13 21.919 . . 2 . . 391 . . 261 LEU CD1 . 27432 1 116 . 1 1 9 9 LEU CD2 C 13 26.398 . . 2 . . 392 . . 261 LEU CD2 . 27432 1 117 . 1 1 9 9 LEU N N 15 115.792 0.015 . 1 . . 60 . . 261 LEU N . 27432 1 118 . 1 1 10 10 GLU H H 1 8.092 0.002 . 1 . . 108 . . 262 GLU H . 27432 1 119 . 1 1 10 10 GLU HA H 1 4.020 . . 1 . . 398 . . 262 GLU HA . 27432 1 120 . 1 1 10 10 GLU HB2 H 1 1.976 . . 1 . . 399 . . 262 GLU HB2 . 27432 1 121 . 1 1 10 10 GLU HB3 H 1 1.976 . . 1 . . 400 . . 262 GLU HB3 . 27432 1 122 . 1 1 10 10 GLU HG2 H 1 2.117 . . 2 . . 401 . . 262 GLU HG2 . 27432 1 123 . 1 1 10 10 GLU HG3 H 1 2.239 . . 2 . . 402 . . 262 GLU HG3 . 27432 1 124 . 1 1 10 10 GLU C C 13 179.999 . . 1 . . 396 . . 262 GLU C . 27432 1 125 . 1 1 10 10 GLU CA C 13 59.340 . . 1 . . 386 . . 262 GLU CA . 27432 1 126 . 1 1 10 10 GLU CB C 13 29.588 . . 1 . . 387 . . 262 GLU CB . 27432 1 127 . 1 1 10 10 GLU CG C 13 36.339 0.007 . 1 . . 397 . . 262 GLU CG . 27432 1 128 . 1 1 10 10 GLU N N 15 118.645 0.018 . 1 . . 109 . . 262 GLU N . 27432 1 129 . 1 1 11 11 ARG H H 1 7.924 0.002 . 1 . . 29 . . 263 ARG H . 27432 1 130 . 1 1 11 11 ARG HA H 1 4.071 . . 1 . . 403 . . 263 ARG HA . 27432 1 131 . 1 1 11 11 ARG HB2 H 1 2.049 . . 1 . . 414 . . 263 ARG HB2 . 27432 1 132 . 1 1 11 11 ARG HB3 H 1 2.049 . . 1 . . 415 . . 263 ARG HB3 . 27432 1 133 . 1 1 11 11 ARG HG2 H 1 1.714 . . 2 . . 412 . . 263 ARG HG2 . 27432 1 134 . 1 1 11 11 ARG HG3 H 1 1.770 . . 2 . . 413 . . 263 ARG HG3 . 27432 1 135 . 1 1 11 11 ARG HD2 H 1 3.226 . . 2 . . 410 . . 263 ARG HD2 . 27432 1 136 . 1 1 11 11 ARG HD3 H 1 3.139 . . 2 . . 411 . . 263 ARG HD3 . 27432 1 137 . 1 1 11 11 ARG C C 13 178.060 . . 1 . . 407 . . 263 ARG C . 27432 1 138 . 1 1 11 11 ARG CA C 13 58.395 . . 1 . . 395 . . 263 ARG CA . 27432 1 139 . 1 1 11 11 ARG CB C 13 29.670 . . 1 . . 406 . . 263 ARG CB . 27432 1 140 . 1 1 11 11 ARG CG C 13 26.837 0.009 . 1 . . 409 . . 263 ARG CG . 27432 1 141 . 1 1 11 11 ARG CD C 13 42.849 0.012 . 1 . . 408 . . 263 ARG CD . 27432 1 142 . 1 1 11 11 ARG N N 15 120.110 0.013 . 1 . . 30 . . 263 ARG N . 27432 1 143 . 1 1 12 12 ILE H H 1 7.291 0.002 . 1 . . 65 . . 264 ILE H . 27432 1 144 . 1 1 12 12 ILE HA H 1 4.676 . . 1 . . 416 . . 264 ILE HA . 27432 1 145 . 1 1 12 12 ILE HB H 1 2.271 . . 1 . . 421 . . 264 ILE HB . 27432 1 146 . 1 1 12 12 ILE HG12 H 1 1.165 . . 2 . . 422 . . 264 ILE HG12 . 27432 1 147 . 1 1 12 12 ILE HG13 H 1 1.630 . . 2 . . 423 . . 264 ILE HG13 . 27432 1 148 . 1 1 12 12 ILE HG21 H 1 0.893 . . 1 . . 424 . . 264 ILE HG21 . 27432 1 149 . 1 1 12 12 ILE HG22 H 1 0.893 . . 1 . . 424 . . 264 ILE HG22 . 27432 1 150 . 1 1 12 12 ILE HG23 H 1 0.893 . . 1 . . 424 . . 264 ILE HG23 . 27432 1 151 . 1 1 12 12 ILE HD11 H 1 0.663 . . 1 . . 425 . . 264 ILE HD11 . 27432 1 152 . 1 1 12 12 ILE HD12 H 1 0.663 . . 1 . . 425 . . 264 ILE HD12 . 27432 1 153 . 1 1 12 12 ILE HD13 H 1 0.663 . . 1 . . 425 . . 264 ILE HD13 . 27432 1 154 . 1 1 12 12 ILE C C 13 175.365 . . 1 . . 426 . . 264 ILE C . 27432 1 155 . 1 1 12 12 ILE CA C 13 60.504 . . 1 . . 404 . . 264 ILE CA . 27432 1 156 . 1 1 12 12 ILE CB C 13 37.794 . . 1 . . 405 . . 264 ILE CB . 27432 1 157 . 1 1 12 12 ILE CG1 C 13 24.938 0.003 . 1 . . 418 . . 264 ILE CG1 . 27432 1 158 . 1 1 12 12 ILE CG2 C 13 17.209 . . 1 . . 419 . . 264 ILE CG2 . 27432 1 159 . 1 1 12 12 ILE CD1 C 13 14.304 . . 1 . . 420 . . 264 ILE CD1 . 27432 1 160 . 1 1 12 12 ILE N N 15 106.835 0.006 . 1 . . 66 . . 264 ILE N . 27432 1 161 . 1 1 13 13 GLY H H 1 7.544 0.0 . 1 . . 25 . . 265 GLY H . 27432 1 162 . 1 1 13 13 GLY HA2 H 1 4.098 . . 2 . . 427 . . 265 GLY HA2 . 27432 1 163 . 1 1 13 13 GLY HA3 H 1 3.961 . . 2 . . 428 . . 265 GLY HA3 . 27432 1 164 . 1 1 13 13 GLY C C 13 175.953 . . 1 . . 431 . . 265 GLY C . 27432 1 165 . 1 1 13 13 GLY CA C 13 47.042 0.001 . 1 . . 417 . . 265 GLY CA . 27432 1 166 . 1 1 13 13 GLY N N 15 110.193 0.008 . 1 . . 26 . . 265 GLY N . 27432 1 167 . 1 1 14 14 LEU H H 1 8.301 0.0 . 1 . . 114 . . 266 LEU H . 27432 1 168 . 1 1 14 14 LEU HA H 1 4.751 . . 1 . . 432 . . 266 LEU HA . 27432 1 169 . 1 1 14 14 LEU HB2 H 1 1.232 0.002 . 2 . . 436 . . 266 LEU HB2 . 27432 1 170 . 1 1 14 14 LEU HB3 H 1 1.885 0.003 . 2 . . 437 . . 266 LEU HB3 . 27432 1 171 . 1 1 14 14 LEU HG H 1 1.435 0.004 . 1 . . 442 . . 266 LEU HG . 27432 1 172 . 1 1 14 14 LEU HD11 H 1 0.378 0.01 . 2 . . 438 . . 266 LEU HD11 . 27432 1 173 . 1 1 14 14 LEU HD12 H 1 0.378 0.01 . 2 . . 438 . . 266 LEU HD12 . 27432 1 174 . 1 1 14 14 LEU HD13 H 1 0.378 0.01 . 2 . . 438 . . 266 LEU HD13 . 27432 1 175 . 1 1 14 14 LEU HD21 H 1 0.839 0.006 . 2 . . 441 . . 266 LEU HD21 . 27432 1 176 . 1 1 14 14 LEU HD22 H 1 0.839 0.006 . 2 . . 441 . . 266 LEU HD22 . 27432 1 177 . 1 1 14 14 LEU HD23 H 1 0.839 0.006 . 2 . . 441 . . 266 LEU HD23 . 27432 1 178 . 1 1 14 14 LEU C C 13 176.262 . . 1 . . 435 . . 266 LEU C . 27432 1 179 . 1 1 14 14 LEU CA C 13 52.964 . . 1 . . 429 . . 266 LEU CA . 27432 1 180 . 1 1 14 14 LEU CB C 13 42.672 0.006 . 1 . . 430 . . 266 LEU CB . 27432 1 181 . 1 1 14 14 LEU CG C 13 25.623 . . 1 . . 444 . . 266 LEU CG . 27432 1 182 . 1 1 14 14 LEU CD1 C 13 22.044 . . 2 . . 440 . . 266 LEU CD1 . 27432 1 183 . 1 1 14 14 LEU CD2 C 13 27.954 . . 2 . . 443 . . 266 LEU CD2 . 27432 1 184 . 1 1 14 14 LEU N N 15 119.598 0.001 . 1 . . 115 . . 266 LEU N . 27432 1 185 . 1 1 15 15 GLU H H 1 9.316 0.007 . 1 . . 57 . . 267 GLU H . 27432 1 186 . 1 1 15 15 GLU HA H 1 3.815 . . 1 . . 449 . . 267 GLU HA . 27432 1 187 . 1 1 15 15 GLU HB2 H 1 1.921 . . 2 . . 450 . . 267 GLU HB2 . 27432 1 188 . 1 1 15 15 GLU HB3 H 1 1.978 . . 2 . . 451 . . 267 GLU HB3 . 27432 1 189 . 1 1 15 15 GLU HG2 H 1 2.242 . . 2 . . 452 . . 267 GLU HG2 . 27432 1 190 . 1 1 15 15 GLU HG3 H 1 2.263 . . 2 . . 453 . . 267 GLU HG3 . 27432 1 191 . 1 1 15 15 GLU C C 13 178.625 . . 1 . . 447 . . 267 GLU C . 27432 1 192 . 1 1 15 15 GLU CA C 13 59.654 . . 1 . . 433 . . 267 GLU CA . 27432 1 193 . 1 1 15 15 GLU CB C 13 28.594 0.003 . 1 . . 434 . . 267 GLU CB . 27432 1 194 . 1 1 15 15 GLU CG C 13 35.872 0.001 . 1 . . 448 . . 267 GLU CG . 27432 1 195 . 1 1 15 15 GLU N N 15 121.610 0.003 . 1 . . 58 . . 267 GLU N . 27432 1 196 . 1 1 16 16 GLU H H 1 9.205 0.001 . 1 . . 5 . . 268 GLU H . 27432 1 197 . 1 1 16 16 GLU HA H 1 4.256 . . 1 . . 463 . . 268 GLU HA . 27432 1 198 . 1 1 16 16 GLU HB2 H 1 1.763 . . 2 . . 464 . . 268 GLU HB2 . 27432 1 199 . 1 1 16 16 GLU HB3 H 1 2.035 . . 2 . . 465 . . 268 GLU HB3 . 27432 1 200 . 1 1 16 16 GLU HG2 H 1 1.444 0.005 . 2 . . 466 . . 268 GLU HG2 . 27432 1 201 . 1 1 16 16 GLU HG3 H 1 1.147 0.006 . 2 . . 467 . . 268 GLU HG3 . 27432 1 202 . 1 1 16 16 GLU C C 13 176.826 . . 1 . . 461 . . 268 GLU C . 27432 1 203 . 1 1 16 16 GLU CA C 13 58.398 . . 1 . . 445 . . 268 GLU CA . 27432 1 204 . 1 1 16 16 GLU CB C 13 28.964 0.047 . 1 . . 446 . . 268 GLU CB . 27432 1 205 . 1 1 16 16 GLU CG C 13 34.630 0.001 . 1 . . 462 . . 268 GLU CG . 27432 1 206 . 1 1 16 16 GLU N N 15 121.027 0.005 . 1 . . 6 . . 268 GLU N . 27432 1 207 . 1 1 17 17 HIS H H 1 7.715 0.004 . 1 . . 75 . . 269 HIS H . 27432 1 208 . 1 1 17 17 HIS HA H 1 5.076 . . 1 . . 468 . . 269 HIS HA . 27432 1 209 . 1 1 17 17 HIS HB2 H 1 3.307 0.005 . 2 . . 469 . . 269 HIS HB2 . 27432 1 210 . 1 1 17 17 HIS HB3 H 1 2.786 0.006 . 2 . . 470 . . 269 HIS HB3 . 27432 1 211 . 1 1 17 17 HIS HD2 H 1 6.675 0.004 . 1 . . 698 . . 269 HIS HD2 . 27432 1 212 . 1 1 17 17 HIS HE1 H 1 7.992 0.003 . 1 . . 763 . . 269 HIS HE1 . 27432 1 213 . 1 1 17 17 HIS C C 13 175.300 . . 1 . . 458 . . 269 HIS C . 27432 1 214 . 1 1 17 17 HIS CA C 13 56.403 . . 1 . . 460 . . 269 HIS CA . 27432 1 215 . 1 1 17 17 HIS CB C 13 30.960 0.006 . 1 . . 459 . . 269 HIS CB . 27432 1 216 . 1 1 17 17 HIS CD2 C 13 117.145 0.125 . 1 . . 753 . . 269 HIS CD2 . 27432 1 217 . 1 1 17 17 HIS CE1 C 13 139.906 0.036 . 1 . . 764 . . 269 HIS CE1 . 27432 1 218 . 1 1 17 17 HIS N N 15 117.729 0.005 . 1 . . 76 . . 269 HIS N . 27432 1 219 . 1 1 18 18 THR H H 1 7.967 0.001 . 1 . . 97 . . 270 THR H . 27432 1 220 . 1 1 18 18 THR HA H 1 4.260 . . 1 . . 526 . . 270 THR HA . 27432 1 221 . 1 1 18 18 THR HB H 1 3.537 . . 1 . . 527 . . 270 THR HB . 27432 1 222 . 1 1 18 18 THR HG21 H 1 1.112 0.002 . 1 . . 528 . . 270 THR HG21 . 27432 1 223 . 1 1 18 18 THR HG22 H 1 1.112 0.002 . 1 . . 528 . . 270 THR HG22 . 27432 1 224 . 1 1 18 18 THR HG23 H 1 1.112 0.002 . 1 . . 528 . . 270 THR HG23 . 27432 1 225 . 1 1 18 18 THR C C 13 175.875 . . 1 . . 457 . . 270 THR C . 27432 1 226 . 1 1 18 18 THR CA C 13 68.638 . . 1 . . 454 . . 270 THR CA . 27432 1 227 . 1 1 18 18 THR CB C 13 68.435 . . 1 . . 525 . . 270 THR CB . 27432 1 228 . 1 1 18 18 THR CG2 C 13 21.773 . . 1 . . 456 . . 270 THR CG2 . 27432 1 229 . 1 1 18 18 THR N N 15 117.681 0.017 . 1 . . 98 . . 270 THR N . 27432 1 230 . 1 1 19 19 SER H H 1 8.665 0.003 . 1 . . 130 . . 271 SER H . 27432 1 231 . 1 1 19 19 SER HA H 1 4.136 . . 1 . . 471 . . 271 SER HA . 27432 1 232 . 1 1 19 19 SER HB2 H 1 3.977 . . 2 . . 473 . . 271 SER HB2 . 27432 1 233 . 1 1 19 19 SER HB3 H 1 3.944 . . 2 . . 474 . . 271 SER HB3 . 27432 1 234 . 1 1 19 19 SER C C 13 175.898 . . 1 . . 481 . . 271 SER C . 27432 1 235 . 1 1 19 19 SER CA C 13 62.374 . . 1 . . 455 . . 271 SER CA . 27432 1 236 . 1 1 19 19 SER CB C 13 62.217 0.002 . 1 . . 482 . . 271 SER CB . 27432 1 237 . 1 1 19 19 SER N N 15 115.249 0.018 . 1 . . 131 . . 271 SER N . 27432 1 238 . 1 1 20 20 THR H H 1 7.882 0.0 . 1 . . 37 . . 272 THR H . 27432 1 239 . 1 1 20 20 THR HA H 1 3.933 . . 1 . . 484 . . 272 THR HA . 27432 1 240 . 1 1 20 20 THR HB H 1 4.321 . . 1 . . 483 . . 272 THR HB . 27432 1 241 . 1 1 20 20 THR HG21 H 1 1.357 . . 1 . . 485 . . 272 THR HG21 . 27432 1 242 . 1 1 20 20 THR HG22 H 1 1.357 . . 1 . . 485 . . 272 THR HG22 . 27432 1 243 . 1 1 20 20 THR HG23 H 1 1.357 . . 1 . . 485 . . 272 THR HG23 . 27432 1 244 . 1 1 20 20 THR C C 13 176.532 . . 1 . . 487 . . 272 THR C . 27432 1 245 . 1 1 20 20 THR CA C 13 66.133 . . 1 . . 476 . . 272 THR CA . 27432 1 246 . 1 1 20 20 THR CB C 13 68.667 . . 1 . . 475 . . 272 THR CB . 27432 1 247 . 1 1 20 20 THR CG2 C 13 22.775 . . 1 . . 486 . . 272 THR CG2 . 27432 1 248 . 1 1 20 20 THR N N 15 118.177 0.002 . 1 . . 38 . . 272 THR N . 27432 1 249 . 1 1 21 21 LEU H H 1 7.977 0.003 . 1 . . 33 . . 273 LEU H . 27432 1 250 . 1 1 21 21 LEU HA H 1 4.133 0.007 . 1 . . 489 . . 273 LEU HA . 27432 1 251 . 1 1 21 21 LEU HB2 H 1 2.001 0.005 . 2 . . 494 . . 273 LEU HB2 . 27432 1 252 . 1 1 21 21 LEU HB3 H 1 1.816 0.003 . 2 . . 495 . . 273 LEU HB3 . 27432 1 253 . 1 1 21 21 LEU HD11 H 1 0.603 0.003 . 2 . . 490 . . 273 LEU HD11 . 27432 1 254 . 1 1 21 21 LEU HD12 H 1 0.603 0.003 . 2 . . 490 . . 273 LEU HD12 . 27432 1 255 . 1 1 21 21 LEU HD13 H 1 0.603 0.003 . 2 . . 490 . . 273 LEU HD13 . 27432 1 256 . 1 1 21 21 LEU HD21 H 1 0.837 0.001 . 2 . . 491 . . 273 LEU HD21 . 27432 1 257 . 1 1 21 21 LEU HD22 H 1 0.837 0.001 . 2 . . 491 . . 273 LEU HD22 . 27432 1 258 . 1 1 21 21 LEU HD23 H 1 0.837 0.001 . 2 . . 491 . . 273 LEU HD23 . 27432 1 259 . 1 1 21 21 LEU C C 13 178.540 . . 1 . . 488 . . 273 LEU C . 27432 1 260 . 1 1 21 21 LEU CA C 13 59.621 . . 1 . . 477 . . 273 LEU CA . 27432 1 261 . 1 1 21 21 LEU CB C 13 40.378 0.009 . 1 . . 478 . . 273 LEU CB . 27432 1 262 . 1 1 21 21 LEU CD1 C 13 23.984 . . 2 . . 492 . . 273 LEU CD1 . 27432 1 263 . 1 1 21 21 LEU CD2 C 13 26.671 . . 2 . . 493 . . 273 LEU CD2 . 27432 1 264 . 1 1 21 21 LEU N N 15 121.954 0.008 . 1 . . 34 . . 273 LEU N . 27432 1 265 . 1 1 22 22 LEU H H 1 8.500 0.002 . 1 . . 11 . . 274 LEU H . 27432 1 266 . 1 1 22 22 LEU HA H 1 4.078 . . 1 . . 497 . . 274 LEU HA . 27432 1 267 . 1 1 22 22 LEU HB2 H 1 1.889 . . 2 . . 498 . . 274 LEU HB2 . 27432 1 268 . 1 1 22 22 LEU HB3 H 1 1.622 . . 2 . . 499 . . 274 LEU HB3 . 27432 1 269 . 1 1 22 22 LEU HG H 1 1.884 . . 1 . . 501 . . 274 LEU HG . 27432 1 270 . 1 1 22 22 LEU HD11 H 1 1.028 . . 2 . . 502 . . 274 LEU HD11 . 27432 1 271 . 1 1 22 22 LEU HD12 H 1 1.028 . . 2 . . 502 . . 274 LEU HD12 . 27432 1 272 . 1 1 22 22 LEU HD13 H 1 1.028 . . 2 . . 502 . . 274 LEU HD13 . 27432 1 273 . 1 1 22 22 LEU HD21 H 1 0.946 . . 2 . . 503 . . 274 LEU HD21 . 27432 1 274 . 1 1 22 22 LEU HD22 H 1 0.946 . . 2 . . 503 . . 274 LEU HD22 . 27432 1 275 . 1 1 22 22 LEU HD23 H 1 0.946 . . 2 . . 503 . . 274 LEU HD23 . 27432 1 276 . 1 1 22 22 LEU C C 13 181.396 . . 1 . . 156 . . 274 LEU C . 27432 1 277 . 1 1 22 22 LEU CA C 13 58.718 . . 1 . . 154 . . 274 LEU CA . 27432 1 278 . 1 1 22 22 LEU CB C 13 42.333 0.002 . 1 . . 155 . . 274 LEU CB . 27432 1 279 . 1 1 22 22 LEU CG C 13 27.390 . . 1 . . 500 . . 274 LEU CG . 27432 1 280 . 1 1 22 22 LEU CD1 C 13 24.021 . . 2 . . 504 . . 274 LEU CD1 . 27432 1 281 . 1 1 22 22 LEU CD2 C 13 25.511 . . 2 . . 496 . . 274 LEU CD2 . 27432 1 282 . 1 1 22 22 LEU N N 15 120.894 0.006 . 1 . . 12 . . 274 LEU N . 27432 1 283 . 1 1 23 23 LEU H H 1 8.452 0.001 . 1 . . 47 . . 275 LEU H . 27432 1 284 . 1 1 23 23 LEU HA H 1 4.182 . . 1 . . 152 . . 275 LEU HA . 27432 1 285 . 1 1 23 23 LEU HB2 H 1 1.645 . . 2 . . 674 . . 275 LEU HB2 . 27432 1 286 . 1 1 23 23 LEU HB3 H 1 1.860 . . 2 . . 675 . . 275 LEU HB3 . 27432 1 287 . 1 1 23 23 LEU HG H 1 1.837 . . 1 . . 673 . . 275 LEU HG . 27432 1 288 . 1 1 23 23 LEU HD11 H 1 0.903 . . 2 . . 778 . . 275 LEU HD11 . 27432 1 289 . 1 1 23 23 LEU HD12 H 1 0.903 . . 2 . . 778 . . 275 LEU HD12 . 27432 1 290 . 1 1 23 23 LEU HD13 H 1 0.903 . . 2 . . 778 . . 275 LEU HD13 . 27432 1 291 . 1 1 23 23 LEU HD21 H 1 0.906 . . 2 . . 779 . . 275 LEU HD21 . 27432 1 292 . 1 1 23 23 LEU HD22 H 1 0.906 . . 2 . . 779 . . 275 LEU HD22 . 27432 1 293 . 1 1 23 23 LEU HD23 H 1 0.906 . . 2 . . 779 . . 275 LEU HD23 . 27432 1 294 . 1 1 23 23 LEU C C 13 178.053 . . 1 . . 153 . . 275 LEU C . 27432 1 295 . 1 1 23 23 LEU CA C 13 56.893 . . 1 . . 147 . . 275 LEU CA . 27432 1 296 . 1 1 23 23 LEU CB C 13 42.072 0.003 . 1 . . 148 . . 275 LEU CB . 27432 1 297 . 1 1 23 23 LEU CG C 13 27.133 . . 1 . . 149 . . 275 LEU CG . 27432 1 298 . 1 1 23 23 LEU CD1 C 13 24.675 . . 2 . . 150 . . 275 LEU CD1 . 27432 1 299 . 1 1 23 23 LEU CD2 C 13 23.379 . . 2 . . 151 . . 275 LEU CD2 . 27432 1 300 . 1 1 23 23 LEU N N 15 118.340 0.017 . 1 . . 48 . . 275 LEU N . 27432 1 301 . 1 1 24 24 ASN H H 1 7.435 0.001 . 1 . . 63 . . 276 ASN H . 27432 1 302 . 1 1 24 24 ASN HA H 1 4.881 . . 1 . . 138 . . 276 ASN HA . 27432 1 303 . 1 1 24 24 ASN HB2 H 1 3.121 0.004 . 2 . . 139 . . 276 ASN HB2 . 27432 1 304 . 1 1 24 24 ASN HB3 H 1 2.770 0.003 . 2 . . 140 . . 276 ASN HB3 . 27432 1 305 . 1 1 24 24 ASN HD21 H 1 7.347 0.0 . 1 . . 96 . . 276 ASN HD21 . 27432 1 306 . 1 1 24 24 ASN HD22 H 1 8.559 0.002 . 1 . . 777 . . 276 ASN HD22 . 27432 1 307 . 1 1 24 24 ASN C C 13 173.916 . . 1 . . 135 . . 276 ASN C . 27432 1 308 . 1 1 24 24 ASN CA C 13 53.782 . . 1 . . 136 . . 276 ASN CA . 27432 1 309 . 1 1 24 24 ASN CB C 13 40.766 0.003 . 1 . . 137 . . 276 ASN CB . 27432 1 310 . 1 1 24 24 ASN CG C 13 178.335 0.001 . 1 . . 1578 . . 276 ASN CG . 27432 1 311 . 1 1 24 24 ASN N N 15 115.641 0.006 . 1 . . 64 . . 276 ASN N . 27432 1 312 . 1 1 24 24 ASN ND2 N 15 116.873 0.341 . 1 . . 776 . . 276 ASN ND2 . 27432 1 313 . 1 1 25 25 GLY H H 1 7.678 0.002 . 1 . . 49 . . 277 GLY H . 27432 1 314 . 1 1 25 25 GLY HA2 H 1 4.050 . . 2 . . 133 . . 277 GLY HA2 . 27432 1 315 . 1 1 25 25 GLY HA3 H 1 3.602 . . 2 . . 134 . . 277 GLY HA3 . 27432 1 316 . 1 1 25 25 GLY C C 13 173.936 . . 1 . . 146 . . 277 GLY C . 27432 1 317 . 1 1 25 25 GLY CA C 13 45.873 0.006 . 1 . . 132 . . 277 GLY CA . 27432 1 318 . 1 1 25 25 GLY N N 15 104.378 0.01 . 1 . . 50 . . 277 GLY N . 27432 1 319 . 1 1 26 26 TYR H H 1 8.244 0.002 . 1 . . 85 . . 278 TYR H . 27432 1 320 . 1 1 26 26 TYR HA H 1 4.464 0.02 . 1 . . 141 . . 278 TYR HA . 27432 1 321 . 1 1 26 26 TYR HB2 H 1 2.980 0.006 . 2 . . 142 . . 278 TYR HB2 . 27432 1 322 . 1 1 26 26 TYR HB3 H 1 2.462 0.005 . 2 . . 143 . . 278 TYR HB3 . 27432 1 323 . 1 1 26 26 TYR HD1 H 1 6.806 0.001 . 1 . . 699 . . 278 TYR HD1 . 27432 1 324 . 1 1 26 26 TYR HD2 H 1 6.806 0.001 . 1 . . 699 . . 278 TYR HD2 . 27432 1 325 . 1 1 26 26 TYR HE1 H 1 6.527 0.001 . 1 . . 702 . . 278 TYR HE1 . 27432 1 326 . 1 1 26 26 TYR HE2 H 1 6.527 0.001 . 1 . . 702 . . 278 TYR HE2 . 27432 1 327 . 1 1 26 26 TYR C C 13 172.757 . . 1 . . 215 . . 278 TYR C . 27432 1 328 . 1 1 26 26 TYR CA C 13 57.220 . . 1 . . 144 . . 278 TYR CA . 27432 1 329 . 1 1 26 26 TYR CB C 13 37.661 0.01 . 1 . . 145 . . 278 TYR CB . 27432 1 330 . 1 1 26 26 TYR CD1 C 13 132.765 0.043 . 1 . . 746 . . 278 TYR CD1 . 27432 1 331 . 1 1 26 26 TYR CD2 C 13 132.765 0.043 . 1 . . 746 . . 278 TYR CD2 . 27432 1 332 . 1 1 26 26 TYR CE1 C 13 118.174 0.038 . 1 . . 752 . . 278 TYR CE1 . 27432 1 333 . 1 1 26 26 TYR CE2 C 13 118.174 0.038 . 1 . . 752 . . 278 TYR CE2 . 27432 1 334 . 1 1 26 26 TYR N N 15 121.341 0.001 . 1 . . 86 . . 278 TYR N . 27432 1 335 . 1 1 27 27 GLN H H 1 8.627 0.007 . 1 . . 106 . . 279 GLN H . 27432 1 336 . 1 1 27 27 GLN HA H 1 4.545 . . 1 . . 216 . . 279 GLN HA . 27432 1 337 . 1 1 27 27 GLN HB2 H 1 2.218 . . 2 . . 676 . . 279 GLN HB2 . 27432 1 338 . 1 1 27 27 GLN HB3 H 1 2.096 . . 2 . . 677 . . 279 GLN HB3 . 27432 1 339 . 1 1 27 27 GLN HG2 H 1 2.339 . . 2 . . 678 . . 279 GLN HG2 . 27432 1 340 . 1 1 27 27 GLN HG3 H 1 2.286 . . 2 . . 679 . . 279 GLN HG3 . 27432 1 341 . 1 1 27 27 GLN HE21 H 1 6.793 0.001 . 1 . . 83 . . 279 GLN HE21 . 27432 1 342 . 1 1 27 27 GLN HE22 H 1 7.462 0.0 . 1 . . 101 . . 279 GLN HE22 . 27432 1 343 . 1 1 27 27 GLN C C 13 176.892 . . 1 . . 223 . . 279 GLN C . 27432 1 344 . 1 1 27 27 GLN CA C 13 56.891 . . 1 . . 213 . . 279 GLN CA . 27432 1 345 . 1 1 27 27 GLN CB C 13 31.501 0.002 . 1 . . 214 . . 279 GLN CB . 27432 1 346 . 1 1 27 27 GLN CG C 13 34.563 0.002 . 1 . . 220 . . 279 GLN CG . 27432 1 347 . 1 1 27 27 GLN CD C 13 179.982 0.008 . 1 . . 1571 . . 279 GLN CD . 27432 1 348 . 1 1 27 27 GLN N N 15 117.825 0.007 . 1 . . 107 . . 279 GLN N . 27432 1 349 . 1 1 27 27 GLN NE2 N 15 111.221 0.253 . 1 . . 84 . . 279 GLN NE2 . 27432 1 350 . 1 1 28 28 THR H H 1 8.464 0.003 . 1 . . 218 . . 280 THR H . 27432 1 351 . 1 1 28 28 THR HA H 1 4.931 . . 1 . . 242 . . 280 THR HA . 27432 1 352 . 1 1 28 28 THR HB H 1 4.781 . . 1 . . 243 . . 280 THR HB . 27432 1 353 . 1 1 28 28 THR HG21 H 1 1.294 . . 1 . . 228 . . 280 THR HG21 . 27432 1 354 . 1 1 28 28 THR HG22 H 1 1.294 . . 1 . . 228 . . 280 THR HG22 . 27432 1 355 . 1 1 28 28 THR HG23 H 1 1.294 . . 1 . . 228 . . 280 THR HG23 . 27432 1 356 . 1 1 28 28 THR C C 13 175.607 . . 1 . . 227 . . 280 THR C . 27432 1 357 . 1 1 28 28 THR CA C 13 59.261 . . 1 . . 221 . . 280 THR CA . 27432 1 358 . 1 1 28 28 THR CB C 13 73.264 . . 1 . . 222 . . 280 THR CB . 27432 1 359 . 1 1 28 28 THR CG2 C 13 21.566 . . 1 . . 226 . . 280 THR CG2 . 27432 1 360 . 1 1 28 28 THR N N 15 109.471 0.016 . 1 . . 217 . . 280 THR N . 27432 1 361 . 1 1 29 29 LEU H H 1 8.908 0.002 . 1 . . 79 . . 281 LEU H . 27432 1 362 . 1 1 29 29 LEU HA H 1 4.024 0.003 . 1 . . 229 . . 281 LEU HA . 27432 1 363 . 1 1 29 29 LEU HB2 H 1 1.828 . . 2 . . 681 . . 281 LEU HB2 . 27432 1 364 . 1 1 29 29 LEU HB3 H 1 1.418 . . 2 . . 682 . . 281 LEU HB3 . 27432 1 365 . 1 1 29 29 LEU HG H 1 1.505 . . 1 . . 680 . . 281 LEU HG . 27432 1 366 . 1 1 29 29 LEU HD11 H 1 0.710 0.004 . 2 . . 244 . . 281 LEU HD11 . 27432 1 367 . 1 1 29 29 LEU HD12 H 1 0.710 0.004 . 2 . . 244 . . 281 LEU HD12 . 27432 1 368 . 1 1 29 29 LEU HD13 H 1 0.710 0.004 . 2 . . 244 . . 281 LEU HD13 . 27432 1 369 . 1 1 29 29 LEU HD21 H 1 0.602 . . 2 . . 245 . . 281 LEU HD21 . 27432 1 370 . 1 1 29 29 LEU HD22 H 1 0.602 . . 2 . . 245 . . 281 LEU HD22 . 27432 1 371 . 1 1 29 29 LEU HD23 H 1 0.602 . . 2 . . 245 . . 281 LEU HD23 . 27432 1 372 . 1 1 29 29 LEU C C 13 178.306 . . 1 . . 235 . . 281 LEU C . 27432 1 373 . 1 1 29 29 LEU CA C 13 58.073 . . 1 . . 224 . . 281 LEU CA . 27432 1 374 . 1 1 29 29 LEU CB C 13 40.810 0.003 . 1 . . 225 . . 281 LEU CB . 27432 1 375 . 1 1 29 29 LEU CG C 13 27.667 . . 1 . . 236 . . 281 LEU CG . 27432 1 376 . 1 1 29 29 LEU CD1 C 13 25.510 . . 2 . . 237 . . 281 LEU CD1 . 27432 1 377 . 1 1 29 29 LEU CD2 C 13 23.572 . . 2 . . 238 . . 281 LEU CD2 . 27432 1 378 . 1 1 29 29 LEU N N 15 120.477 0.016 . 1 . . 80 . . 281 LEU N . 27432 1 379 . 1 1 30 30 GLU H H 1 8.037 0.002 . 1 . . 231 . . 282 GLU H . 27432 1 380 . 1 1 30 30 GLU HA H 1 3.969 . . 1 . . 239 . . 282 GLU HA . 27432 1 381 . 1 1 30 30 GLU HB2 H 1 2.039 . . 1 . . 246 . . 282 GLU HB2 . 27432 1 382 . 1 1 30 30 GLU HB3 H 1 2.039 . . 1 . . 247 . . 282 GLU HB3 . 27432 1 383 . 1 1 30 30 GLU HG2 H 1 2.408 . . 2 . . 543 . . 282 GLU HG2 . 27432 1 384 . 1 1 30 30 GLU HG3 H 1 2.316 . . 2 . . 544 . . 282 GLU HG3 . 27432 1 385 . 1 1 30 30 GLU C C 13 179.057 . . 1 . . 545 . . 282 GLU C . 27432 1 386 . 1 1 30 30 GLU CA C 13 59.926 . . 1 . . 233 . . 282 GLU CA . 27432 1 387 . 1 1 30 30 GLU CB C 13 29.010 . . 1 . . 234 . . 282 GLU CB . 27432 1 388 . 1 1 30 30 GLU CG C 13 36.581 0.0 . 1 . . 535 . . 282 GLU CG . 27432 1 389 . 1 1 30 30 GLU N N 15 117.124 0.019 . 1 . . 230 . . 282 GLU N . 27432 1 390 . 1 1 31 31 ASP H H 1 7.657 0.013 . 1 . . 241 . . 283 ASP H . 27432 1 391 . 1 1 31 31 ASP HA H 1 4.447 0.02 . 1 . . 209 . . 283 ASP HA . 27432 1 392 . 1 1 31 31 ASP HB2 H 1 2.970 0.016 . 2 . . 211 . . 283 ASP HB2 . 27432 1 393 . 1 1 31 31 ASP HB3 H 1 3.042 0.0 . 2 . . 212 . . 283 ASP HB3 . 27432 1 394 . 1 1 31 31 ASP C C 13 178.774 . . 1 . . 207 . . 283 ASP C . 27432 1 395 . 1 1 31 31 ASP CA C 13 57.038 . . 1 . . 206 . . 283 ASP CA . 27432 1 396 . 1 1 31 31 ASP CB C 13 42.351 0.004 . 1 . . 210 . . 283 ASP CB . 27432 1 397 . 1 1 31 31 ASP N N 15 118.206 0.001 . 1 . . 240 . . 283 ASP N . 27432 1 398 . 1 1 32 32 PHE H H 1 8.034 0.001 . 1 . . 51 . . 284 PHE H . 27432 1 399 . 1 1 32 32 PHE HA H 1 3.958 0.003 . 1 . . 208 . . 284 PHE HA . 27432 1 400 . 1 1 32 32 PHE HB2 H 1 3.006 0.013 . 2 . . 683 . . 284 PHE HB2 . 27432 1 401 . 1 1 32 32 PHE HB3 H 1 3.203 0.002 . 2 . . 684 . . 284 PHE HB3 . 27432 1 402 . 1 1 32 32 PHE HD1 H 1 6.782 0.001 . 1 . . 701 . . 284 PHE HD1 . 27432 1 403 . 1 1 32 32 PHE HD2 H 1 6.782 0.001 . 1 . . 701 . . 284 PHE HD2 . 27432 1 404 . 1 1 32 32 PHE HE1 H 1 6.883 0.003 . 1 . . 704 . . 284 PHE HE1 . 27432 1 405 . 1 1 32 32 PHE HE2 H 1 6.883 0.003 . 1 . . 704 . . 284 PHE HE2 . 27432 1 406 . 1 1 32 32 PHE HZ H 1 7.068 0.003 . 1 . . 749 . . 284 PHE HZ . 27432 1 407 . 1 1 32 32 PHE C C 13 175.028 . . 1 . . 193 . . 284 PHE C . 27432 1 408 . 1 1 32 32 PHE CA C 13 61.193 . . 1 . . 191 . . 284 PHE CA . 27432 1 409 . 1 1 32 32 PHE CB C 13 40.545 0.001 . 1 . . 192 . . 284 PHE CB . 27432 1 410 . 1 1 32 32 PHE CD1 C 13 131.392 0.153 . 1 . . 745 . . 284 PHE CD1 . 27432 1 411 . 1 1 32 32 PHE CD2 C 13 131.392 0.153 . 1 . . 745 . . 284 PHE CD2 . 27432 1 412 . 1 1 32 32 PHE CE1 C 13 130.267 0.094 . 1 . . 748 . . 284 PHE CE1 . 27432 1 413 . 1 1 32 32 PHE CE2 C 13 130.267 0.094 . 1 . . 748 . . 284 PHE CE2 . 27432 1 414 . 1 1 32 32 PHE CZ C 13 129.142 0.03 . 1 . . 750 . . 284 PHE CZ . 27432 1 415 . 1 1 32 32 PHE N N 15 119.895 0.001 . 1 . . 52 . . 284 PHE N . 27432 1 416 . 1 1 33 33 LYS H H 1 7.606 0.0 . 1 . . 77 . . 285 LYS H . 27432 1 417 . 1 1 33 33 LYS HA H 1 3.924 0.0 . 1 . . 188 . . 285 LYS HA . 27432 1 418 . 1 1 33 33 LYS HB2 H 1 1.905 . . 2 . . 200 . . 285 LYS HB2 . 27432 1 419 . 1 1 33 33 LYS HB3 H 1 1.971 . . 2 . . 201 . . 285 LYS HB3 . 27432 1 420 . 1 1 33 33 LYS HG2 H 1 1.516 . . 2 . . 204 . . 285 LYS HG2 . 27432 1 421 . 1 1 33 33 LYS HG3 H 1 1.740 . . 2 . . 205 . . 285 LYS HG3 . 27432 1 422 . 1 1 33 33 LYS HD2 H 1 1.741 . . 1 . . 203 . . 285 LYS HD2 . 27432 1 423 . 1 1 33 33 LYS HD3 H 1 1.741 . . 1 . . 202 . . 285 LYS HD3 . 27432 1 424 . 1 1 33 33 LYS HE2 H 1 3.030 . . 2 . . 189 . . 285 LYS HE2 . 27432 1 425 . 1 1 33 33 LYS HE3 H 1 2.906 . . 2 . . 190 . . 285 LYS HE3 . 27432 1 426 . 1 1 33 33 LYS C C 13 176.299 . . 1 . . 184 . . 285 LYS C . 27432 1 427 . 1 1 33 33 LYS CA C 13 58.898 . . 1 . . 182 . . 285 LYS CA . 27432 1 428 . 1 1 33 33 LYS CB C 13 32.996 0.001 . 1 . . 183 . . 285 LYS CB . 27432 1 429 . 1 1 33 33 LYS CG C 13 25.584 0.023 . 1 . . 187 . . 285 LYS CG . 27432 1 430 . 1 1 33 33 LYS CD C 13 30.288 . . 1 . . 186 . . 285 LYS CD . 27432 1 431 . 1 1 33 33 LYS CE C 13 42.190 0.007 . 1 . . 185 . . 285 LYS CE . 27432 1 432 . 1 1 33 33 LYS N N 15 113.893 0.008 . 1 . . 78 . . 285 LYS N . 27432 1 433 . 1 1 34 34 GLU H H 1 7.152 0.0 . 1 . . 123 . . 286 GLU H . 27432 1 434 . 1 1 34 34 GLU HA H 1 4.258 0.004 . 1 . . 181 . . 286 GLU HA . 27432 1 435 . 1 1 34 34 GLU HB2 H 1 2.333 . . 2 . . 687 . . 286 GLU HB2 . 27432 1 436 . 1 1 34 34 GLU HB3 H 1 1.973 0.004 . 2 . . 688 . . 286 GLU HB3 . 27432 1 437 . 1 1 34 34 GLU HG2 H 1 2.453 0.004 . 2 . . 685 . . 286 GLU HG2 . 27432 1 438 . 1 1 34 34 GLU HG3 H 1 2.234 . . 2 . . 686 . . 286 GLU HG3 . 27432 1 439 . 1 1 34 34 GLU C C 13 176.250 . . 1 . . 179 . . 286 GLU C . 27432 1 440 . 1 1 34 34 GLU CA C 13 55.574 . . 1 . . 177 . . 286 GLU CA . 27432 1 441 . 1 1 34 34 GLU CB C 13 29.794 0.001 . 1 . . 178 . . 286 GLU CB . 27432 1 442 . 1 1 34 34 GLU CG C 13 35.866 0.004 . 1 . . 180 . . 286 GLU CG . 27432 1 443 . 1 1 34 34 GLU N N 15 115.137 0.01 . 1 . . 124 . . 286 GLU N . 27432 1 444 . 1 1 35 35 LEU H H 1 7.323 0.001 . 1 . . 53 . . 287 LEU H . 27432 1 445 . 1 1 35 35 LEU HA H 1 3.783 0.004 . 1 . . 176 . . 287 LEU HA . 27432 1 446 . 1 1 35 35 LEU HB2 H 1 1.017 0.008 . 1 . . 195 . . 287 LEU HB2 . 27432 1 447 . 1 1 35 35 LEU HB3 H 1 1.017 0.008 . 1 . . 194 . . 287 LEU HB3 . 27432 1 448 . 1 1 35 35 LEU HG H 1 1.215 . . 1 . . 691 . . 287 LEU HG . 27432 1 449 . 1 1 35 35 LEU HD11 H 1 0.156 0.009 . 2 . . 689 . . 287 LEU HD11 . 27432 1 450 . 1 1 35 35 LEU HD12 H 1 0.156 0.009 . 2 . . 689 . . 287 LEU HD12 . 27432 1 451 . 1 1 35 35 LEU HD13 H 1 0.156 0.009 . 2 . . 689 . . 287 LEU HD13 . 27432 1 452 . 1 1 35 35 LEU HD21 H 1 0.162 0.013 . 2 . . 690 . . 287 LEU HD21 . 27432 1 453 . 1 1 35 35 LEU HD22 H 1 0.162 0.013 . 2 . . 690 . . 287 LEU HD22 . 27432 1 454 . 1 1 35 35 LEU HD23 H 1 0.162 0.013 . 2 . . 690 . . 287 LEU HD23 . 27432 1 455 . 1 1 35 35 LEU C C 13 176.051 . . 1 . . 175 . . 287 LEU C . 27432 1 456 . 1 1 35 35 LEU CA C 13 56.945 . . 1 . . 173 . . 287 LEU CA . 27432 1 457 . 1 1 35 35 LEU CB C 13 42.785 . . 1 . . 174 . . 287 LEU CB . 27432 1 458 . 1 1 35 35 LEU CG C 13 26.317 . . 1 . . 692 . . 287 LEU CG . 27432 1 459 . 1 1 35 35 LEU CD1 C 13 24.279 . . 2 . . 694 . . 287 LEU CD1 . 27432 1 460 . 1 1 35 35 LEU CD2 C 13 25.588 . . 2 . . 693 . . 287 LEU CD2 . 27432 1 461 . 1 1 35 35 LEU N N 15 121.537 0.007 . 1 . . 54 . . 287 LEU N . 27432 1 462 . 1 1 36 36 ARG H H 1 9.616 0.011 . 1 . . 94 . . 288 ARG H . 27432 1 463 . 1 1 36 36 ARG HA H 1 4.620 . . 1 . . 170 . . 288 ARG HA . 27432 1 464 . 1 1 36 36 ARG HB2 H 1 2.089 . . 2 . . 196 . . 288 ARG HB2 . 27432 1 465 . 1 1 36 36 ARG HB3 H 1 1.744 0.015 . 2 . . 197 . . 288 ARG HB3 . 27432 1 466 . 1 1 36 36 ARG HG2 H 1 1.775 0.015 . 1 . . 199 . . 288 ARG HG2 . 27432 1 467 . 1 1 36 36 ARG HG3 H 1 1.775 0.015 . 1 . . 198 . . 288 ARG HG3 . 27432 1 468 . 1 1 36 36 ARG HD2 H 1 3.361 0.004 . 2 . . 171 . . 288 ARG HD2 . 27432 1 469 . 1 1 36 36 ARG HD3 H 1 3.167 0.003 . 2 . . 172 . . 288 ARG HD3 . 27432 1 470 . 1 1 36 36 ARG C C 13 177.141 . . 1 . . 167 . . 288 ARG C . 27432 1 471 . 1 1 36 36 ARG CA C 13 53.203 . . 1 . . 165 . . 288 ARG CA . 27432 1 472 . 1 1 36 36 ARG CB C 13 33.768 0.002 . 1 . . 166 . . 288 ARG CB . 27432 1 473 . 1 1 36 36 ARG CG C 13 26.770 . . 1 . . 169 . . 288 ARG CG . 27432 1 474 . 1 1 36 36 ARG CD C 13 42.983 0.002 . 1 . . 168 . . 288 ARG CD . 27432 1 475 . 1 1 36 36 ARG N N 15 125.994 0.004 . 1 . . 95 . . 288 ARG N . 27432 1 476 . 1 1 37 37 GLU H H 1 9.024 0.001 . 1 . . 91 . . 289 GLU H . 27432 1 477 . 1 1 37 37 GLU HA H 1 3.694 . . 1 . . 164 . . 289 GLU HA . 27432 1 478 . 1 1 37 37 GLU HB2 H 1 1.970 . . 2 . . 713 . . 289 GLU HB2 . 27432 1 479 . 1 1 37 37 GLU HB3 H 1 2.074 . . 2 . . 714 . . 289 GLU HB3 . 27432 1 480 . 1 1 37 37 GLU HG2 H 1 2.251 . . 1 . . 711 . . 289 GLU HG2 . 27432 1 481 . 1 1 37 37 GLU HG3 H 1 2.251 . . 1 . . 712 . . 289 GLU HG3 . 27432 1 482 . 1 1 37 37 GLU C C 13 178.122 . . 1 . . 161 . . 289 GLU C . 27432 1 483 . 1 1 37 37 GLU CA C 13 61.212 . . 1 . . 158 . . 289 GLU CA . 27432 1 484 . 1 1 37 37 GLU CB C 13 29.383 0.003 . 1 . . 160 . . 289 GLU CB . 27432 1 485 . 1 1 37 37 GLU CG C 13 36.930 . . 1 . . 163 . . 289 GLU CG . 27432 1 486 . 1 1 37 37 GLU N N 15 121.532 0.002 . 1 . . 92 . . 289 GLU N . 27432 1 487 . 1 1 38 38 THR H H 1 7.701 0.001 . 1 . . 43 . . 290 THR H . 27432 1 488 . 1 1 38 38 THR HA H 1 3.936 . . 1 . . 255 . . 290 THR HA . 27432 1 489 . 1 1 38 38 THR HB H 1 3.959 . . 1 . . 715 . . 290 THR HB . 27432 1 490 . 1 1 38 38 THR HG21 H 1 1.065 . . 1 . . 162 . . 290 THR HG21 . 27432 1 491 . 1 1 38 38 THR HG22 H 1 1.065 . . 1 . . 162 . . 290 THR HG22 . 27432 1 492 . 1 1 38 38 THR HG23 H 1 1.065 . . 1 . . 162 . . 290 THR HG23 . 27432 1 493 . 1 1 38 38 THR C C 13 176.394 . . 1 . . 250 . . 290 THR C . 27432 1 494 . 1 1 38 38 THR CA C 13 64.788 . . 1 . . 157 . . 290 THR CA . 27432 1 495 . 1 1 38 38 THR CB C 13 68.074 . . 1 . . 159 . . 290 THR CB . 27432 1 496 . 1 1 38 38 THR CG2 C 13 21.527 . . 1 . . 254 . . 290 THR CG2 . 27432 1 497 . 1 1 38 38 THR N N 15 108.477 0.015 . 1 . . 44 . . 290 THR N . 27432 1 498 . 1 1 39 39 HIS H H 1 7.263 0.0 . 1 . . 102 . . 291 HIS H . 27432 1 499 . 1 1 39 39 HIS HA H 1 4.410 0.0 . 1 . . 251 . . 291 HIS HA . 27432 1 500 . 1 1 39 39 HIS HB2 H 1 3.178 0.008 . 1 . . 253 . . 291 HIS HB2 . 27432 1 501 . 1 1 39 39 HIS HB3 H 1 3.178 0.008 . 1 . . 252 . . 291 HIS HB3 . 27432 1 502 . 1 1 39 39 HIS HD2 H 1 7.170 0.001 . 1 . . 697 . . 291 HIS HD2 . 27432 1 503 . 1 1 39 39 HIS HE1 H 1 7.724 0.003 . 1 . . 758 . . 291 HIS HE1 . 27432 1 504 . 1 1 39 39 HIS C C 13 178.282 . . 1 . . 258 . . 291 HIS C . 27432 1 505 . 1 1 39 39 HIS CA C 13 59.166 . . 1 . . 248 . . 291 HIS CA . 27432 1 506 . 1 1 39 39 HIS CB C 13 31.619 . . 1 . . 249 . . 291 HIS CB . 27432 1 507 . 1 1 39 39 HIS CD2 C 13 117.026 0.181 . 1 . . 757 . . 291 HIS CD2 . 27432 1 508 . 1 1 39 39 HIS CE1 C 13 138.108 0.013 . 1 . . 759 . . 291 HIS CE1 . 27432 1 509 . 1 1 39 39 HIS N N 15 121.181 0.002 . 1 . . 103 . . 291 HIS N . 27432 1 510 . 1 1 40 40 LEU H H 1 7.529 0.0 . 1 . . 45 . . 292 LEU H . 27432 1 511 . 1 1 40 40 LEU HA H 1 3.872 . . 1 . . 260 . . 292 LEU HA . 27432 1 512 . 1 1 40 40 LEU HB2 H 1 2.006 . . 2 . . 716 . . 292 LEU HB2 . 27432 1 513 . 1 1 40 40 LEU HB3 H 1 1.547 . . 2 . . 717 . . 292 LEU HB3 . 27432 1 514 . 1 1 40 40 LEU HG H 1 1.741 . . 1 . . 718 . . 292 LEU HG . 27432 1 515 . 1 1 40 40 LEU HD11 H 1 0.693 . . 1 . . 265 . . 292 LEU HD11 . 27432 1 516 . 1 1 40 40 LEU HD12 H 1 0.693 . . 1 . . 265 . . 292 LEU HD12 . 27432 1 517 . 1 1 40 40 LEU HD13 H 1 0.693 . . 1 . . 265 . . 292 LEU HD13 . 27432 1 518 . 1 1 40 40 LEU C C 13 178.578 . . 1 . . 263 . . 292 LEU C . 27432 1 519 . 1 1 40 40 LEU CA C 13 58.190 . . 1 . . 256 . . 292 LEU CA . 27432 1 520 . 1 1 40 40 LEU CB C 13 40.200 0.007 . 1 . . 257 . . 292 LEU CB . 27432 1 521 . 1 1 40 40 LEU CG C 13 26.892 . . 1 . . 264 . . 292 LEU CG . 27432 1 522 . 1 1 40 40 LEU CD1 C 13 23.941 . . 1 . . 719 . . 292 LEU CD1 . 27432 1 523 . 1 1 40 40 LEU N N 15 116.033 0.017 . 1 . . 46 . . 292 LEU N . 27432 1 524 . 1 1 41 41 ASN H H 1 7.836 0.001 . 1 . . 3 . . 293 ASN H . 27432 1 525 . 1 1 41 41 ASN HA H 1 4.403 . . 1 . . 266 . . 293 ASN HA . 27432 1 526 . 1 1 41 41 ASN HB2 H 1 3.153 . . 2 . . 267 . . 293 ASN HB2 . 27432 1 527 . 1 1 41 41 ASN HB3 H 1 2.931 . . 2 . . 268 . . 293 ASN HB3 . 27432 1 528 . 1 1 41 41 ASN HD21 H 1 7.196 0.002 . 1 . . 89 . . 293 ASN HD21 . 27432 1 529 . 1 1 41 41 ASN HD22 H 1 7.759 0.0 . 1 . . 120 . . 293 ASN HD22 . 27432 1 530 . 1 1 41 41 ASN C C 13 178.924 . . 1 . . 272 . . 293 ASN C . 27432 1 531 . 1 1 41 41 ASN CA C 13 55.851 . . 1 . . 261 . . 293 ASN CA . 27432 1 532 . 1 1 41 41 ASN CB C 13 36.828 0.0 . 1 . . 262 . . 293 ASN CB . 27432 1 533 . 1 1 41 41 ASN CG C 13 176.300 0.012 . 1 . . 1575 . . 293 ASN CG . 27432 1 534 . 1 1 41 41 ASN N N 15 116.952 0.009 . 1 . . 4 . . 293 ASN N . 27432 1 535 . 1 1 41 41 ASN ND2 N 15 111.965 0.256 . 1 . . 90 . . 293 ASN ND2 . 27432 1 536 . 1 1 42 42 GLU H H 1 7.744 0.0 . 1 . . 87 . . 294 GLU H . 27432 1 537 . 1 1 42 42 GLU HA H 1 4.057 . . 1 . . 271 . . 294 GLU HA . 27432 1 538 . 1 1 42 42 GLU HB2 H 1 2.261 . . 2 . . 720 . . 294 GLU HB2 . 27432 1 539 . 1 1 42 42 GLU HB3 H 1 2.172 . . 2 . . 721 . . 294 GLU HB3 . 27432 1 540 . 1 1 42 42 GLU HG2 H 1 2.361 . . 2 . . 722 . . 294 GLU HG2 . 27432 1 541 . 1 1 42 42 GLU HG3 H 1 2.466 . . 2 . . 723 . . 294 GLU HG3 . 27432 1 542 . 1 1 42 42 GLU C C 13 178.080 . . 1 . . 277 . . 294 GLU C . 27432 1 543 . 1 1 42 42 GLU CA C 13 59.022 . . 1 . . 269 . . 294 GLU CA . 27432 1 544 . 1 1 42 42 GLU CB C 13 29.339 0.003 . 1 . . 270 . . 294 GLU CB . 27432 1 545 . 1 1 42 42 GLU CG C 13 36.199 0.001 . 1 . . 278 . . 294 GLU CG . 27432 1 546 . 1 1 42 42 GLU N N 15 121.693 0.007 . 1 . . 88 . . 294 GLU N . 27432 1 547 . 1 1 43 43 LEU H H 1 7.771 0.002 . 1 . . 273 . . 295 LEU H . 27432 1 548 . 1 1 43 43 LEU HA H 1 4.140 . . 1 . . 279 . . 295 LEU HA . 27432 1 549 . 1 1 43 43 LEU HB2 H 1 1.593 . . 2 . . 724 . . 295 LEU HB2 . 27432 1 550 . 1 1 43 43 LEU HB3 H 1 1.526 . . 2 . . 725 . . 295 LEU HB3 . 27432 1 551 . 1 1 43 43 LEU HG H 1 1.916 . . 1 . . 302 . . 295 LEU HG . 27432 1 552 . 1 1 43 43 LEU HD11 H 1 0.632 0.004 . 2 . . 286 . . 295 LEU HD11 . 27432 1 553 . 1 1 43 43 LEU HD12 H 1 0.632 0.004 . 2 . . 286 . . 295 LEU HD12 . 27432 1 554 . 1 1 43 43 LEU HD13 H 1 0.632 0.004 . 2 . . 286 . . 295 LEU HD13 . 27432 1 555 . 1 1 43 43 LEU HD21 H 1 0.846 0.006 . 2 . . 287 . . 295 LEU HD21 . 27432 1 556 . 1 1 43 43 LEU HD22 H 1 0.846 0.006 . 2 . . 287 . . 295 LEU HD22 . 27432 1 557 . 1 1 43 43 LEU HD23 H 1 0.846 0.006 . 2 . . 287 . . 295 LEU HD23 . 27432 1 558 . 1 1 43 43 LEU C C 13 175.720 . . 1 . . 282 . . 295 LEU C . 27432 1 559 . 1 1 43 43 LEU CA C 13 55.065 . . 1 . . 275 . . 295 LEU CA . 27432 1 560 . 1 1 43 43 LEU CB C 13 42.321 0.002 . 1 . . 276 . . 295 LEU CB . 27432 1 561 . 1 1 43 43 LEU CG C 13 26.872 . . 1 . . 283 . . 295 LEU CG . 27432 1 562 . 1 1 43 43 LEU CD1 C 13 25.346 . . 2 . . 284 . . 295 LEU CD1 . 27432 1 563 . 1 1 43 43 LEU CD2 C 13 23.507 . . 2 . . 285 . . 295 LEU CD2 . 27432 1 564 . 1 1 43 43 LEU N N 15 117.385 0.012 . 1 . . 274 . . 295 LEU N . 27432 1 565 . 1 1 44 44 ASN H H 1 7.913 0.0 . 1 . . 128 . . 296 ASN H . 27432 1 566 . 1 1 44 44 ASN HA H 1 4.242 . . 1 . . 288 . . 296 ASN HA . 27432 1 567 . 1 1 44 44 ASN HB2 H 1 3.272 . . 2 . . 289 . . 296 ASN HB2 . 27432 1 568 . 1 1 44 44 ASN HB3 H 1 2.636 . . 2 . . 290 . . 296 ASN HB3 . 27432 1 569 . 1 1 44 44 ASN HD21 H 1 7.465 0.001 . 1 . . 71 . . 296 ASN HD21 . 27432 1 570 . 1 1 44 44 ASN HD22 H 1 6.681 0.001 . 1 . . 127 . . 296 ASN HD22 . 27432 1 571 . 1 1 44 44 ASN C C 13 174.445 . . 1 . . 293 . . 296 ASN C . 27432 1 572 . 1 1 44 44 ASN CA C 13 54.275 . . 1 . . 280 . . 296 ASN CA . 27432 1 573 . 1 1 44 44 ASN CB C 13 37.630 0.001 . 1 . . 281 . . 296 ASN CB . 27432 1 574 . 1 1 44 44 ASN CG C 13 178.093 0.005 . 1 . . 1569 . . 296 ASN CG . 27432 1 575 . 1 1 44 44 ASN N N 15 115.963 0.003 . 1 . . 129 . . 296 ASN N . 27432 1 576 . 1 1 44 44 ASN ND2 N 15 110.759 0.243 . 1 . . 72 . . 296 ASN ND2 . 27432 1 577 . 1 1 45 45 ILE H H 1 7.854 0.004 . 1 . . 1 . . 297 ILE H . 27432 1 578 . 1 1 45 45 ILE HA H 1 4.101 . . 1 . . 294 . . 297 ILE HA . 27432 1 579 . 1 1 45 45 ILE HB H 1 1.548 . . 1 . . 705 . . 297 ILE HB . 27432 1 580 . 1 1 45 45 ILE HG12 H 1 1.410 . . 2 . . 706 . . 297 ILE HG12 . 27432 1 581 . 1 1 45 45 ILE HG13 H 1 0.579 . . 2 . . 707 . . 297 ILE HG13 . 27432 1 582 . 1 1 45 45 ILE HG21 H 1 0.571 . . 1 . . 708 . . 297 ILE HG21 . 27432 1 583 . 1 1 45 45 ILE HG22 H 1 0.571 . . 1 . . 708 . . 297 ILE HG22 . 27432 1 584 . 1 1 45 45 ILE HG23 H 1 0.571 . . 1 . . 708 . . 297 ILE HG23 . 27432 1 585 . 1 1 45 45 ILE HD11 H 1 0.374 0.011 . 1 . . 439 . . 297 ILE HD11 . 27432 1 586 . 1 1 45 45 ILE HD12 H 1 0.374 0.011 . 1 . . 439 . . 297 ILE HD12 . 27432 1 587 . 1 1 45 45 ILE HD13 H 1 0.374 0.011 . 1 . . 439 . . 297 ILE HD13 . 27432 1 588 . 1 1 45 45 ILE C C 13 174.305 . . 1 . . 297 . . 297 ILE C . 27432 1 589 . 1 1 45 45 ILE CA C 13 61.452 . . 1 . . 291 . . 297 ILE CA . 27432 1 590 . 1 1 45 45 ILE CB C 13 37.046 . . 1 . . 292 . . 297 ILE CB . 27432 1 591 . 1 1 45 45 ILE CG1 C 13 26.682 0.002 . 1 . . 298 . . 297 ILE CG1 . 27432 1 592 . 1 1 45 45 ILE CG2 C 13 16.130 . . 1 . . 299 . . 297 ILE CG2 . 27432 1 593 . 1 1 45 45 ILE CD1 C 13 12.834 . . 1 . . 300 . . 297 ILE CD1 . 27432 1 594 . 1 1 45 45 ILE N N 15 120.320 0.004 . 1 . . 2 . . 297 ILE N . 27432 1 595 . 1 1 46 46 MET H H 1 7.784 0.001 . 1 . . 41 . . 298 MET H . 27432 1 596 . 1 1 46 46 MET HA H 1 4.607 . . 1 . . 301 . . 298 MET HA . 27432 1 597 . 1 1 46 46 MET HB2 H 1 2.157 . . 2 . . 768 . . 298 MET HB2 . 27432 1 598 . 1 1 46 46 MET HB3 H 1 1.946 . . 2 . . 769 . . 298 MET HB3 . 27432 1 599 . 1 1 46 46 MET HG2 H 1 2.698 . . 2 . . 765 . . 298 MET HG2 . 27432 1 600 . 1 1 46 46 MET HG3 H 1 2.257 . . 2 . . 767 . . 298 MET HG3 . 27432 1 601 . 1 1 46 46 MET HE1 H 1 2.048 . . 1 . . 744 . . 298 MET HE1 . 27432 1 602 . 1 1 46 46 MET HE2 H 1 2.048 . . 1 . . 744 . . 298 MET HE2 . 27432 1 603 . 1 1 46 46 MET HE3 H 1 2.048 . . 1 . . 744 . . 298 MET HE3 . 27432 1 604 . 1 1 46 46 MET C C 13 177.217 . . 1 . . 305 . . 298 MET C . 27432 1 605 . 1 1 46 46 MET CA C 13 54.113 . . 1 . . 295 . . 298 MET CA . 27432 1 606 . 1 1 46 46 MET CB C 13 32.099 0.002 . 1 . . 296 . . 298 MET CB . 27432 1 607 . 1 1 46 46 MET CG C 13 32.134 0.002 . 1 . . 766 . . 298 MET CG . 27432 1 608 . 1 1 46 46 MET CE C 13 16.389 . . 1 . . 743 . . 298 MET CE . 27432 1 609 . 1 1 46 46 MET N N 15 120.753 0.021 . 1 . . 42 . . 298 MET N . 27432 1 610 . 1 1 47 47 ASP H H 1 8.160 0.003 . 1 . . 112 . . 299 ASP H . 27432 1 611 . 1 1 47 47 ASP HA H 1 4.648 . . 1 . . 306 . . 299 ASP HA . 27432 1 612 . 1 1 47 47 ASP HB2 H 1 2.329 0.002 . 2 . . 307 . . 299 ASP HB2 . 27432 1 613 . 1 1 47 47 ASP HB3 H 1 2.159 0.001 . 2 . . 308 . . 299 ASP HB3 . 27432 1 614 . 1 1 47 47 ASP CA C 13 52.806 . . 1 . . 303 . . 299 ASP CA . 27432 1 615 . 1 1 47 47 ASP CB C 13 41.865 0.002 . 1 . . 304 . . 299 ASP CB . 27432 1 616 . 1 1 47 47 ASP N N 15 123.990 0.01 . 1 . . 113 . . 299 ASP N . 27432 1 617 . 1 1 48 48 PRO HA H 1 4.118 . . 1 . . 593 . . 300 PRO HA . 27432 1 618 . 1 1 48 48 PRO HB2 H 1 1.959 . . 2 . . 594 . . 300 PRO HB2 . 27432 1 619 . 1 1 48 48 PRO HB3 H 1 2.405 . . 2 . . 595 . . 300 PRO HB3 . 27432 1 620 . 1 1 48 48 PRO HG2 H 1 2.078 . . 2 . . 596 . . 300 PRO HG2 . 27432 1 621 . 1 1 48 48 PRO HG3 H 1 2.135 . . 2 . . 597 . . 300 PRO HG3 . 27432 1 622 . 1 1 48 48 PRO HD2 H 1 3.739 . . 2 . . 736 . . 300 PRO HD2 . 27432 1 623 . 1 1 48 48 PRO HD3 H 1 4.118 . . 2 . . 737 . . 300 PRO HD3 . 27432 1 624 . 1 1 48 48 PRO C C 13 180.035 . . 1 . . 592 . . 300 PRO C . 27432 1 625 . 1 1 48 48 PRO CA C 13 65.698 . . 1 . . 589 . . 300 PRO CA . 27432 1 626 . 1 1 48 48 PRO CB C 13 32.466 0.005 . 1 . . 588 . . 300 PRO CB . 27432 1 627 . 1 1 48 48 PRO CG C 13 27.626 0.001 . 1 . . 591 . . 300 PRO CG . 27432 1 628 . 1 1 48 48 PRO CD C 13 51.254 0.0 . 1 . . 590 . . 300 PRO CD . 27432 1 629 . 1 1 49 49 GLN H H 1 8.477 0.004 . 1 . . 587 . . 301 GLN H . 27432 1 630 . 1 1 49 49 GLN HA H 1 4.058 0.002 . 1 . . 585 . . 301 GLN HA . 27432 1 631 . 1 1 49 49 GLN HB2 H 1 2.371 0.002 . 2 . . 772 . . 301 GLN HB2 . 27432 1 632 . 1 1 49 49 GLN HB3 H 1 2.155 0.003 . 2 . . 773 . . 301 GLN HB3 . 27432 1 633 . 1 1 49 49 GLN HG2 H 1 2.423 . . 2 . . 770 . . 301 GLN HG2 . 27432 1 634 . 1 1 49 49 GLN HG3 H 1 2.225 . . 2 . . 771 . . 301 GLN HG3 . 27432 1 635 . 1 1 49 49 GLN HE21 H 1 6.827 0.0 . 1 . . 17 . . 301 GLN HE21 . 27432 1 636 . 1 1 49 49 GLN HE22 H 1 7.745 0.0 . 1 . . 93 . . 301 GLN HE22 . 27432 1 637 . 1 1 49 49 GLN C C 13 178.312 . . 1 . . 583 . . 301 GLN C . 27432 1 638 . 1 1 49 49 GLN CA C 13 60.024 . . 1 . . 582 . . 301 GLN CA . 27432 1 639 . 1 1 49 49 GLN CB C 13 28.938 0.003 . 1 . . 581 . . 301 GLN CB . 27432 1 640 . 1 1 49 49 GLN CG C 13 36.061 0.012 . 1 . . 584 . . 301 GLN CG . 27432 1 641 . 1 1 49 49 GLN CD C 13 179.523 0.009 . 1 . . 1574 . . 301 GLN CD . 27432 1 642 . 1 1 49 49 GLN N N 15 118.140 0.003 . 1 . . 586 . . 301 GLN N . 27432 1 643 . 1 1 49 49 GLN NE2 N 15 111.427 0.259 . 1 . . 18 . . 301 GLN NE2 . 27432 1 644 . 1 1 50 50 HIS H H 1 8.251 0.001 . 1 . . 73 . . 302 HIS H . 27432 1 645 . 1 1 50 50 HIS HA H 1 4.306 0.001 . 1 . . 577 . . 302 HIS HA . 27432 1 646 . 1 1 50 50 HIS HB2 H 1 3.371 0.0 . 2 . . 578 . . 302 HIS HB2 . 27432 1 647 . 1 1 50 50 HIS HB3 H 1 2.842 0.004 . 2 . . 579 . . 302 HIS HB3 . 27432 1 648 . 1 1 50 50 HIS HD2 H 1 6.904 0.001 . 1 . . 696 . . 302 HIS HD2 . 27432 1 649 . 1 1 50 50 HIS HE1 H 1 8.025 0.004 . 1 . . 755 . . 302 HIS HE1 . 27432 1 650 . 1 1 50 50 HIS C C 13 178.198 . . 1 . . 580 . . 302 HIS C . 27432 1 651 . 1 1 50 50 HIS CA C 13 58.798 . . 1 . . 575 . . 302 HIS CA . 27432 1 652 . 1 1 50 50 HIS CB C 13 31.750 0.003 . 1 . . 576 . . 302 HIS CB . 27432 1 653 . 1 1 50 50 HIS CD2 C 13 117.067 0.171 . 1 . . 754 . . 302 HIS CD2 . 27432 1 654 . 1 1 50 50 HIS CE1 C 13 139.959 0.01 . 1 . . 756 . . 302 HIS CE1 . 27432 1 655 . 1 1 50 50 HIS N N 15 119.845 0.005 . 1 . . 74 . . 302 HIS N . 27432 1 656 . 1 1 51 51 ARG H H 1 8.473 0.007 . 1 . . 31 . . 303 ARG H . 27432 1 657 . 1 1 51 51 ARG HA H 1 3.631 . . 1 . . 539 . . 303 ARG HA . 27432 1 658 . 1 1 51 51 ARG HB2 H 1 1.908 . . 2 . . 540 . . 303 ARG HB2 . 27432 1 659 . 1 1 51 51 ARG HB3 H 1 1.683 . . 2 . . 541 . . 303 ARG HB3 . 27432 1 660 . 1 1 51 51 ARG HG2 H 1 1.793 . . 2 . . 379 . . 303 ARG HG2 . 27432 1 661 . 1 1 51 51 ARG HG3 H 1 1.282 . . 2 . . 542 . . 303 ARG HG3 . 27432 1 662 . 1 1 51 51 ARG HD2 H 1 3.435 . . 2 . . 537 . . 303 ARG HD2 . 27432 1 663 . 1 1 51 51 ARG HD3 H 1 2.744 . . 2 . . 538 . . 303 ARG HD3 . 27432 1 664 . 1 1 51 51 ARG HE H 1 7.784 . . 1 . . 1579 . . 303 ARG HE . 27432 1 665 . 1 1 51 51 ARG C C 13 177.005 . . 1 . . 536 . . 303 ARG C . 27432 1 666 . 1 1 51 51 ARG CA C 13 60.249 . . 1 . . 531 . . 303 ARG CA . 27432 1 667 . 1 1 51 51 ARG CB C 13 31.629 0.014 . 1 . . 532 . . 303 ARG CB . 27432 1 668 . 1 1 51 51 ARG CG C 13 29.679 0.0 . 1 . . 534 . . 303 ARG CG . 27432 1 669 . 1 1 51 51 ARG CD C 13 45.224 0.002 . 1 . . 533 . . 303 ARG CD . 27432 1 670 . 1 1 51 51 ARG N N 15 116.254 0.01 . 1 . . 32 . . 303 ARG N . 27432 1 671 . 1 1 51 51 ARG NE N 15 83.055 . . 1 . . 1581 . . 303 ARG NE . 27432 1 672 . 1 1 52 52 ALA H H 1 7.648 0.0 . 1 . . 21 . . 304 ALA H . 27432 1 673 . 1 1 52 52 ALA HA H 1 4.131 . . 1 . . 551 . . 304 ALA HA . 27432 1 674 . 1 1 52 52 ALA HB1 H 1 1.567 . . 1 . . 550 . . 304 ALA HB1 . 27432 1 675 . 1 1 52 52 ALA HB2 H 1 1.567 . . 1 . . 550 . . 304 ALA HB2 . 27432 1 676 . 1 1 52 52 ALA HB3 H 1 1.567 . . 1 . . 550 . . 304 ALA HB3 . 27432 1 677 . 1 1 52 52 ALA C C 13 181.103 . . 1 . . 552 . . 304 ALA C . 27432 1 678 . 1 1 52 52 ALA CA C 13 55.135 . . 1 . . 530 . . 304 ALA CA . 27432 1 679 . 1 1 52 52 ALA CB C 13 18.480 . . 1 . . 529 . . 304 ALA CB . 27432 1 680 . 1 1 52 52 ALA N N 15 118.464 0.01 . 1 . . 22 . . 304 ALA N . 27432 1 681 . 1 1 53 53 LYS H H 1 8.075 0.002 . 1 . . 547 . . 305 LYS H . 27432 1 682 . 1 1 53 53 LYS HA H 1 4.012 . . 1 . . 558 . . 305 LYS HA . 27432 1 683 . 1 1 53 53 LYS HB2 H 1 2.047 . . 2 . . 564 . . 305 LYS HB2 . 27432 1 684 . 1 1 53 53 LYS HB3 H 1 1.721 . . 2 . . 565 . . 305 LYS HB3 . 27432 1 685 . 1 1 53 53 LYS HG2 H 1 1.334 . . 2 . . 566 . . 305 LYS HG2 . 27432 1 686 . 1 1 53 53 LYS HG3 H 1 2.045 . . 2 . . 567 . . 305 LYS HG3 . 27432 1 687 . 1 1 53 53 LYS HD2 H 1 1.712 0.007 . 1 . . 562 . . 305 LYS HD2 . 27432 1 688 . 1 1 53 53 LYS HD3 H 1 1.705 . . 1 . . 563 . . 305 LYS HD3 . 27432 1 689 . 1 1 53 53 LYS HE2 H 1 2.952 . . 1 . . 559 . . 305 LYS HE2 . 27432 1 690 . 1 1 53 53 LYS HE3 H 1 2.952 . . 1 . . 560 . . 305 LYS HE3 . 27432 1 691 . 1 1 53 53 LYS C C 13 178.055 . . 1 . . 555 . . 305 LYS C . 27432 1 692 . 1 1 53 53 LYS CA C 13 60.983 . . 1 . . 549 . . 305 LYS CA . 27432 1 693 . 1 1 53 53 LYS CB C 13 34.200 0.025 . 1 . . 548 . . 305 LYS CB . 27432 1 694 . 1 1 53 53 LYS CG C 13 26.213 0.013 . 1 . . 557 . . 305 LYS CG . 27432 1 695 . 1 1 53 53 LYS CD C 13 30.240 . . 1 . . 556 . . 305 LYS CD . 27432 1 696 . 1 1 53 53 LYS CE C 13 42.216 . . 1 . . 561 . . 305 LYS CE . 27432 1 697 . 1 1 53 53 LYS N N 15 118.584 0.003 . 1 . . 546 . . 305 LYS N . 27432 1 698 . 1 1 54 54 LEU H H 1 8.133 0.011 . 1 . . 13 . . 306 LEU H . 27432 1 699 . 1 1 54 54 LEU HA H 1 3.889 0.004 . 1 . . 524 . . 306 LEU HA . 27432 1 700 . 1 1 54 54 LEU HB2 H 1 1.855 0.005 . 2 . . 571 . . 306 LEU HB2 . 27432 1 701 . 1 1 54 54 LEU HB3 H 1 1.209 0.012 . 2 . . 572 . . 306 LEU HB3 . 27432 1 702 . 1 1 54 54 LEU HG H 1 1.853 0.007 . 1 . . 323 . . 306 LEU HG . 27432 1 703 . 1 1 54 54 LEU HD11 H 1 0.659 0.002 . 2 . . 569 . . 306 LEU HD11 . 27432 1 704 . 1 1 54 54 LEU HD12 H 1 0.659 0.002 . 2 . . 569 . . 306 LEU HD12 . 27432 1 705 . 1 1 54 54 LEU HD13 H 1 0.659 0.002 . 2 . . 569 . . 306 LEU HD13 . 27432 1 706 . 1 1 54 54 LEU HD21 H 1 0.816 0.017 . 2 . . 570 . . 306 LEU HD21 . 27432 1 707 . 1 1 54 54 LEU HD22 H 1 0.816 0.017 . 2 . . 570 . . 306 LEU HD22 . 27432 1 708 . 1 1 54 54 LEU HD23 H 1 0.816 0.017 . 2 . . 570 . . 306 LEU HD23 . 27432 1 709 . 1 1 54 54 LEU C C 13 178.218 . . 1 . . 568 . . 306 LEU C . 27432 1 710 . 1 1 54 54 LEU CA C 13 58.712 . . 1 . . 554 . . 306 LEU CA . 27432 1 711 . 1 1 54 54 LEU CB C 13 42.139 0.003 . 1 . . 553 . . 306 LEU CB . 27432 1 712 . 1 1 54 54 LEU CG C 13 26.684 . . 1 . . 726 . . 306 LEU CG . 27432 1 713 . 1 1 54 54 LEU CD1 C 13 26.924 . . 2 . . 573 . . 306 LEU CD1 . 27432 1 714 . 1 1 54 54 LEU CD2 C 13 24.018 . . 2 . . 574 . . 306 LEU CD2 . 27432 1 715 . 1 1 54 54 LEU N N 15 117.871 0.008 . 1 . . 14 . . 306 LEU N . 27432 1 716 . 1 1 55 55 LEU H H 1 8.384 0.0 . 1 . . 7 . . 307 LEU H . 27432 1 717 . 1 1 55 55 LEU HA H 1 3.912 . . 1 . . 512 . . 307 LEU HA . 27432 1 718 . 1 1 55 55 LEU HB2 H 1 1.774 . . 2 . . 515 . . 307 LEU HB2 . 27432 1 719 . 1 1 55 55 LEU HB3 H 1 1.483 . . 2 . . 516 . . 307 LEU HB3 . 27432 1 720 . 1 1 55 55 LEU HG H 1 1.720 . . 1 . . 517 . . 307 LEU HG . 27432 1 721 . 1 1 55 55 LEU HD11 H 1 0.582 . . 2 . . 513 . . 307 LEU HD11 . 27432 1 722 . 1 1 55 55 LEU HD12 H 1 0.582 . . 2 . . 513 . . 307 LEU HD12 . 27432 1 723 . 1 1 55 55 LEU HD13 H 1 0.582 . . 2 . . 513 . . 307 LEU HD13 . 27432 1 724 . 1 1 55 55 LEU HD21 H 1 0.779 . . 2 . . 514 . . 307 LEU HD21 . 27432 1 725 . 1 1 55 55 LEU HD22 H 1 0.779 . . 2 . . 514 . . 307 LEU HD22 . 27432 1 726 . 1 1 55 55 LEU HD23 H 1 0.779 . . 2 . . 514 . . 307 LEU HD23 . 27432 1 727 . 1 1 55 55 LEU C C 13 179.833 . . 1 . . 511 . . 307 LEU C . 27432 1 728 . 1 1 55 55 LEU CA C 13 57.655 . . 1 . . 507 . . 307 LEU CA . 27432 1 729 . 1 1 55 55 LEU CB C 13 40.881 0.004 . 1 . . 508 . . 307 LEU CB . 27432 1 730 . 1 1 55 55 LEU CG C 13 26.740 . . 1 . . 518 . . 307 LEU CG . 27432 1 731 . 1 1 55 55 LEU CD1 C 13 21.963 . . 2 . . 520 . . 307 LEU CD1 . 27432 1 732 . 1 1 55 55 LEU CD2 C 13 25.434 . . 2 . . 519 . . 307 LEU CD2 . 27432 1 733 . 1 1 55 55 LEU N N 15 115.583 0.008 . 1 . . 8 . . 307 LEU N . 27432 1 734 . 1 1 56 56 THR H H 1 7.707 0.0 . 1 . . 67 . . 308 THR H . 27432 1 735 . 1 1 56 56 THR HA H 1 3.907 . . 1 . . 610 . . 308 THR HA . 27432 1 736 . 1 1 56 56 THR HB H 1 4.276 . . 1 . . 523 . . 308 THR HB . 27432 1 737 . 1 1 56 56 THR HG21 H 1 1.313 . . 1 . . 522 . . 308 THR HG21 . 27432 1 738 . 1 1 56 56 THR HG22 H 1 1.313 . . 1 . . 522 . . 308 THR HG22 . 27432 1 739 . 1 1 56 56 THR HG23 H 1 1.313 . . 1 . . 522 . . 308 THR HG23 . 27432 1 740 . 1 1 56 56 THR C C 13 175.287 . . 1 . . 672 . . 308 THR C . 27432 1 741 . 1 1 56 56 THR CA C 13 67.740 . . 1 . . 506 . . 308 THR CA . 27432 1 742 . 1 1 56 56 THR CB C 13 68.349 . . 1 . . 505 . . 308 THR CB . 27432 1 743 . 1 1 56 56 THR CG2 C 13 21.060 . . 1 . . 521 . . 308 THR CG2 . 27432 1 744 . 1 1 56 56 THR N N 15 116.185 0.001 . 1 . . 68 . . 308 THR N . 27432 1 745 . 1 1 57 57 ALA H H 1 8.136 0.007 . 1 . . 69 . . 309 ALA H . 27432 1 746 . 1 1 57 57 ALA HA H 1 3.890 0.002 . 1 . . 602 . . 309 ALA HA . 27432 1 747 . 1 1 57 57 ALA HB1 H 1 1.494 0.003 . 1 . . 601 . . 309 ALA HB1 . 27432 1 748 . 1 1 57 57 ALA HB2 H 1 1.494 0.003 . 1 . . 601 . . 309 ALA HB2 . 27432 1 749 . 1 1 57 57 ALA HB3 H 1 1.494 0.003 . 1 . . 601 . . 309 ALA HB3 . 27432 1 750 . 1 1 57 57 ALA C C 13 177.941 . . 1 . . 599 . . 309 ALA C . 27432 1 751 . 1 1 57 57 ALA CA C 13 55.478 . . 1 . . 510 . . 309 ALA CA . 27432 1 752 . 1 1 57 57 ALA CB C 13 18.078 . . 1 . . 509 . . 309 ALA CB . 27432 1 753 . 1 1 57 57 ALA N N 15 122.111 0.016 . 1 . . 70 . . 309 ALA N . 27432 1 754 . 1 1 58 58 ALA H H 1 8.131 0.012 . 1 . . 23 . . 310 ALA H . 27432 1 755 . 1 1 58 58 ALA HA H 1 3.782 . . 1 . . 609 . . 310 ALA HA . 27432 1 756 . 1 1 58 58 ALA HB1 H 1 1.174 0.011 . 1 . . 608 . . 310 ALA HB1 . 27432 1 757 . 1 1 58 58 ALA HB2 H 1 1.174 0.011 . 1 . . 608 . . 310 ALA HB2 . 27432 1 758 . 1 1 58 58 ALA HB3 H 1 1.174 0.011 . 1 . . 608 . . 310 ALA HB3 . 27432 1 759 . 1 1 58 58 ALA C C 13 179.139 . . 1 . . 607 . . 310 ALA C . 27432 1 760 . 1 1 58 58 ALA CA C 13 56.306 . . 1 . . 598 . . 310 ALA CA . 27432 1 761 . 1 1 58 58 ALA CB C 13 18.177 . . 1 . . 606 . . 310 ALA CB . 27432 1 762 . 1 1 58 58 ALA N N 15 119.087 0.012 . 1 . . 24 . . 310 ALA N . 27432 1 763 . 1 1 59 59 GLU H H 1 7.763 0.009 . 1 . . 9 . . 311 GLU H . 27432 1 764 . 1 1 59 59 GLU HA H 1 3.982 . . 1 . . 614 . . 311 GLU HA . 27432 1 765 . 1 1 59 59 GLU HB2 H 1 2.310 . . 2 . . 774 . . 311 GLU HB2 . 27432 1 766 . 1 1 59 59 GLU HB3 H 1 1.933 . . 2 . . 775 . . 311 GLU HB3 . 27432 1 767 . 1 1 59 59 GLU HG2 H 1 2.319 . . 2 . . 727 . . 311 GLU HG2 . 27432 1 768 . 1 1 59 59 GLU HG3 H 1 2.371 . . 2 . . 728 . . 311 GLU HG3 . 27432 1 769 . 1 1 59 59 GLU C C 13 178.945 . . 1 . . 605 . . 311 GLU C . 27432 1 770 . 1 1 59 59 GLU CA C 13 58.724 . . 1 . . 603 . . 311 GLU CA . 27432 1 771 . 1 1 59 59 GLU CB C 13 29.182 0.001 . 1 . . 604 . . 311 GLU CB . 27432 1 772 . 1 1 59 59 GLU CG C 13 35.366 0.003 . 1 . . 613 . . 311 GLU CG . 27432 1 773 . 1 1 59 59 GLU N N 15 115.789 0.0 . 1 . . 10 . . 311 GLU N . 27432 1 774 . 1 1 60 60 LEU H H 1 8.056 0.001 . 1 . . 116 . . 312 LEU H . 27432 1 775 . 1 1 60 60 LEU HA H 1 4.156 0.001 . 1 . . 620 . . 312 LEU HA . 27432 1 776 . 1 1 60 60 LEU HB2 H 1 1.481 0.012 . 2 . . 600 . . 312 LEU HB2 . 27432 1 777 . 1 1 60 60 LEU HB3 H 1 1.836 0.021 . 2 . . 625 . . 312 LEU HB3 . 27432 1 778 . 1 1 60 60 LEU HG H 1 1.863 0.007 . 1 . . 623 . . 312 LEU HG . 27432 1 779 . 1 1 60 60 LEU HD11 H 1 0.791 0.013 . 2 . . 619 . . 312 LEU HD11 . 27432 1 780 . 1 1 60 60 LEU HD12 H 1 0.791 0.013 . 2 . . 619 . . 312 LEU HD12 . 27432 1 781 . 1 1 60 60 LEU HD13 H 1 0.791 0.013 . 2 . . 619 . . 312 LEU HD13 . 27432 1 782 . 1 1 60 60 LEU HD21 H 1 0.810 0.005 . 2 . . 621 . . 312 LEU HD21 . 27432 1 783 . 1 1 60 60 LEU HD22 H 1 0.810 0.005 . 2 . . 621 . . 312 LEU HD22 . 27432 1 784 . 1 1 60 60 LEU HD23 H 1 0.810 0.005 . 2 . . 621 . . 312 LEU HD23 . 27432 1 785 . 1 1 60 60 LEU C C 13 178.669 . . 1 . . 617 . . 312 LEU C . 27432 1 786 . 1 1 60 60 LEU CA C 13 56.959 . . 1 . . 219 . . 312 LEU CA . 27432 1 787 . 1 1 60 60 LEU CB C 13 41.632 0.01 . 1 . . 612 . . 312 LEU CB . 27432 1 788 . 1 1 60 60 LEU CG C 13 27.595 . . 1 . . 622 . . 312 LEU CG . 27432 1 789 . 1 1 60 60 LEU CD1 C 13 23.089 . . 2 . . 618 . . 312 LEU CD1 . 27432 1 790 . 1 1 60 60 LEU CD2 C 13 26.072 . . 2 . . 624 . . 312 LEU CD2 . 27432 1 791 . 1 1 60 60 LEU N N 15 117.674 0.013 . 1 . . 117 . . 312 LEU N . 27432 1 792 . 1 1 61 61 LEU H H 1 8.000 0.0 . 1 . . 99 . . 313 LEU H . 27432 1 793 . 1 1 61 61 LEU HA H 1 4.146 0.008 . 1 . . 472 . . 313 LEU HA . 27432 1 794 . 1 1 61 61 LEU HB2 H 1 1.553 0.0 . 2 . . 731 . . 313 LEU HB2 . 27432 1 795 . 1 1 61 61 LEU HB3 H 1 1.925 . . 2 . . 732 . . 313 LEU HB3 . 27432 1 796 . 1 1 61 61 LEU HD11 H 1 0.813 0.009 . 2 . . 729 . . 313 LEU HD11 . 27432 1 797 . 1 1 61 61 LEU HD12 H 1 0.813 0.009 . 2 . . 729 . . 313 LEU HD12 . 27432 1 798 . 1 1 61 61 LEU HD13 H 1 0.813 0.009 . 2 . . 729 . . 313 LEU HD13 . 27432 1 799 . 1 1 61 61 LEU HD21 H 1 0.726 0.014 . 2 . . 730 . . 313 LEU HD21 . 27432 1 800 . 1 1 61 61 LEU HD22 H 1 0.726 0.014 . 2 . . 730 . . 313 LEU HD22 . 27432 1 801 . 1 1 61 61 LEU HD23 H 1 0.726 0.014 . 2 . . 730 . . 313 LEU HD23 . 27432 1 802 . 1 1 61 61 LEU C C 13 178.428 . . 1 . . 629 . . 313 LEU C . 27432 1 803 . 1 1 61 61 LEU CA C 13 56.746 . . 1 . . 615 . . 313 LEU CA . 27432 1 804 . 1 1 61 61 LEU CB C 13 42.238 0.001 . 1 . . 616 . . 313 LEU CB . 27432 1 805 . 1 1 61 61 LEU CD1 C 13 26.188 . . 2 . . 630 . . 313 LEU CD1 . 27432 1 806 . 1 1 61 61 LEU CD2 C 13 24.112 . . 2 . . 733 . . 313 LEU CD2 . 27432 1 807 . 1 1 61 61 LEU N N 15 118.769 0.011 . 1 . . 100 . . 313 LEU N . 27432 1 808 . 1 1 62 62 LEU H H 1 7.677 0.002 . 1 . . 104 . . 314 LEU H . 27432 1 809 . 1 1 62 62 LEU HA H 1 4.019 . . 1 . . 632 . . 314 LEU HA . 27432 1 810 . 1 1 62 62 LEU HB2 H 1 1.844 . . 2 . . 635 . . 314 LEU HB2 . 27432 1 811 . 1 1 62 62 LEU HB3 H 1 1.657 . . 2 . . 636 . . 314 LEU HB3 . 27432 1 812 . 1 1 62 62 LEU HG H 1 1.740 . . 1 . . 637 . . 314 LEU HG . 27432 1 813 . 1 1 62 62 LEU HD11 H 1 0.908 . . 2 . . 633 . . 314 LEU HD11 . 27432 1 814 . 1 1 62 62 LEU HD12 H 1 0.908 . . 2 . . 633 . . 314 LEU HD12 . 27432 1 815 . 1 1 62 62 LEU HD13 H 1 0.908 . . 2 . . 633 . . 314 LEU HD13 . 27432 1 816 . 1 1 62 62 LEU HD21 H 1 0.949 . . 2 . . 634 . . 314 LEU HD21 . 27432 1 817 . 1 1 62 62 LEU HD22 H 1 0.949 . . 2 . . 634 . . 314 LEU HD22 . 27432 1 818 . 1 1 62 62 LEU HD23 H 1 0.949 . . 2 . . 634 . . 314 LEU HD23 . 27432 1 819 . 1 1 62 62 LEU C C 13 178.094 . . 1 . . 639 . . 314 LEU C . 27432 1 820 . 1 1 62 62 LEU CA C 13 58.043 . . 1 . . 628 . . 314 LEU CA . 27432 1 821 . 1 1 62 62 LEU CB C 13 42.031 0.001 . 1 . . 627 . . 314 LEU CB . 27432 1 822 . 1 1 62 62 LEU CG C 13 26.870 . . 1 . . 638 . . 314 LEU CG . 27432 1 823 . 1 1 62 62 LEU CD1 C 13 24.580 . . 2 . . 734 . . 314 LEU CD1 . 27432 1 824 . 1 1 62 62 LEU CD2 C 13 24.784 . . 2 . . 735 . . 314 LEU CD2 . 27432 1 825 . 1 1 62 62 LEU N N 15 119.401 0.004 . 1 . . 105 . . 314 LEU N . 27432 1 826 . 1 1 63 63 ASP H H 1 7.865 0.001 . 1 . . 81 . . 315 ASP H . 27432 1 827 . 1 1 63 63 ASP HA H 1 4.601 . . 1 . . 643 . . 315 ASP HA . 27432 1 828 . 1 1 63 63 ASP HB2 H 1 2.366 0.001 . 2 . . 644 . . 315 ASP HB2 . 27432 1 829 . 1 1 63 63 ASP HB3 H 1 2.619 . . 2 . . 645 . . 315 ASP HB3 . 27432 1 830 . 1 1 63 63 ASP C C 13 176.548 . . 1 . . 642 . . 315 ASP C . 27432 1 831 . 1 1 63 63 ASP CA C 13 54.565 . . 1 . . 631 . . 315 ASP CA . 27432 1 832 . 1 1 63 63 ASP CB C 13 40.992 0.005 . 1 . . 626 . . 315 ASP CB . 27432 1 833 . 1 1 63 63 ASP N N 15 116.792 0.004 . 1 . . 82 . . 315 ASP N . 27432 1 834 . 1 1 64 64 TYR H H 1 7.926 0.002 . 1 . . 15 . . 316 TYR H . 27432 1 835 . 1 1 64 64 TYR HA H 1 4.534 0.003 . 1 . . 329 . . 316 TYR HA . 27432 1 836 . 1 1 64 64 TYR HB2 H 1 2.877 0.004 . 2 . . 651 . . 316 TYR HB2 . 27432 1 837 . 1 1 64 64 TYR HB3 H 1 3.007 0.004 . 2 . . 652 . . 316 TYR HB3 . 27432 1 838 . 1 1 64 64 TYR HD1 H 1 7.038 0.002 . 1 . . 700 . . 316 TYR HD1 . 27432 1 839 . 1 1 64 64 TYR HD2 H 1 7.038 0.002 . 1 . . 700 . . 316 TYR HD2 . 27432 1 840 . 1 1 64 64 TYR HE1 H 1 6.662 0.002 . 1 . . 703 . . 316 TYR HE1 . 27432 1 841 . 1 1 64 64 TYR HE2 H 1 6.662 0.002 . 1 . . 703 . . 316 TYR HE2 . 27432 1 842 . 1 1 64 64 TYR C C 13 175.531 . . 1 . . 650 . . 316 TYR C . 27432 1 843 . 1 1 64 64 TYR CA C 13 58.890 . . 1 . . 641 . . 316 TYR CA . 27432 1 844 . 1 1 64 64 TYR CB C 13 39.038 0.006 . 1 . . 640 . . 316 TYR CB . 27432 1 845 . 1 1 64 64 TYR CD1 C 13 132.942 0.054 . 1 . . 747 . . 316 TYR CD1 . 27432 1 846 . 1 1 64 64 TYR CD2 C 13 132.942 0.054 . 1 . . 747 . . 316 TYR CD2 . 27432 1 847 . 1 1 64 64 TYR CE1 C 13 118.016 0.128 . 1 . . 751 . . 316 TYR CE1 . 27432 1 848 . 1 1 64 64 TYR CE2 C 13 118.016 0.128 . 1 . . 751 . . 316 TYR CE2 . 27432 1 849 . 1 1 64 64 TYR N N 15 119.134 0.021 . 1 . . 16 . . 316 TYR N . 27432 1 850 . 1 1 65 65 ASP H H 1 8.147 0.009 . 1 . . 647 . . 317 ASP H . 27432 1 851 . 1 1 65 65 ASP HA H 1 4.734 . . 1 . . 655 . . 317 ASP HA . 27432 1 852 . 1 1 65 65 ASP HB2 H 1 2.590 . . 2 . . 656 . . 317 ASP HB2 . 27432 1 853 . 1 1 65 65 ASP HB3 H 1 2.760 . . 2 . . 657 . . 317 ASP HB3 . 27432 1 854 . 1 1 65 65 ASP C C 13 176.263 . . 1 . . 654 . . 317 ASP C . 27432 1 855 . 1 1 65 65 ASP CA C 13 54.296 . . 1 . . 648 . . 317 ASP CA . 27432 1 856 . 1 1 65 65 ASP CB C 13 41.337 0.033 . 1 . . 649 . . 317 ASP CB . 27432 1 857 . 1 1 65 65 ASP N N 15 122.200 0.007 . 1 . . 646 . . 317 ASP N . 27432 1 858 . 1 1 66 66 THR H H 1 8.007 0.002 . 1 . . 110 . . 318 THR H . 27432 1 859 . 1 1 66 66 THR HA H 1 4.315 0.002 . 1 . . 661 . . 318 THR HA . 27432 1 860 . 1 1 66 66 THR HB H 1 4.365 . . 1 . . 259 . . 318 THR HB . 27432 1 861 . 1 1 66 66 THR HG21 H 1 1.188 0.008 . 1 . . 384 . . 318 THR HG21 . 27432 1 862 . 1 1 66 66 THR HG22 H 1 1.188 0.008 . 1 . . 384 . . 318 THR HG22 . 27432 1 863 . 1 1 66 66 THR HG23 H 1 1.188 0.008 . 1 . . 384 . . 318 THR HG23 . 27432 1 864 . 1 1 66 66 THR C C 13 175.346 . . 1 . . 659 . . 318 THR C . 27432 1 865 . 1 1 66 66 THR CA C 13 62.051 . . 1 . . 653 . . 318 THR CA . 27432 1 866 . 1 1 66 66 THR CB C 13 69.679 . . 1 . . 611 . . 318 THR CB . 27432 1 867 . 1 1 66 66 THR CG2 C 13 21.792 . . 1 . . 660 . . 318 THR CG2 . 27432 1 868 . 1 1 66 66 THR N N 15 113.312 0.004 . 1 . . 111 . . 318 THR N . 27432 1 869 . 1 1 67 67 GLY H H 1 8.438 0.001 . 1 . . 27 . . 319 GLY H . 27432 1 870 . 1 1 67 67 GLY HA2 H 1 4.026 . . 1 . . 664 . . 319 GLY HA2 . 27432 1 871 . 1 1 67 67 GLY HA3 H 1 4.026 . . 1 . . 665 . . 319 GLY HA3 . 27432 1 872 . 1 1 67 67 GLY C C 13 174.335 . . 1 . . 666 . . 319 GLY C . 27432 1 873 . 1 1 67 67 GLY CA C 13 45.658 . . 1 . . 658 . . 319 GLY CA . 27432 1 874 . 1 1 67 67 GLY N N 15 110.765 0.002 . 1 . . 28 . . 319 GLY N . 27432 1 875 . 1 1 68 68 CYS H H 1 8.272 0.001 . 1 . . 55 . . 320 CYS H . 27432 1 876 . 1 1 68 68 CYS HA H 1 4.735 . . 1 . . 669 . . 320 CYS HA . 27432 1 877 . 1 1 68 68 CYS HB2 H 1 3.310 . . 2 . . 670 . . 320 CYS HB2 . 27432 1 878 . 1 1 68 68 CYS HB3 H 1 2.974 . . 2 . . 671 . . 320 CYS HB3 . 27432 1 879 . 1 1 68 68 CYS C C 13 173.998 . . 1 . . 668 . . 320 CYS C . 27432 1 880 . 1 1 68 68 CYS CA C 13 55.500 . . 1 . . 662 . . 320 CYS CA . 27432 1 881 . 1 1 68 68 CYS CB C 13 40.978 0.0 . 1 . . 663 . . 320 CYS CB . 27432 1 882 . 1 1 68 68 CYS N N 15 118.707 0.002 . 1 . . 56 . . 320 CYS N . 27432 1 883 . 1 1 69 69 GLU H H 1 8.078 0.001 . 1 . . 125 . . 321 GLU H . 27432 1 884 . 1 1 69 69 GLU HA H 1 4.126 . . 1 . . 738 . . 321 GLU HA . 27432 1 885 . 1 1 69 69 GLU HB2 H 1 2.059 . . 2 . . 322 . . 321 GLU HB2 . 27432 1 886 . 1 1 69 69 GLU HB3 H 1 1.916 . . 2 . . 741 . . 321 GLU HB3 . 27432 1 887 . 1 1 69 69 GLU HG2 H 1 2.228 . . 1 . . 739 . . 321 GLU HG2 . 27432 1 888 . 1 1 69 69 GLU HG3 H 1 2.228 . . 1 . . 740 . . 321 GLU HG3 . 27432 1 889 . 1 1 69 69 GLU CA C 13 58.337 . . 1 . . 232 . . 321 GLU CA . 27432 1 890 . 1 1 69 69 GLU CB C 13 31.118 0.004 . 1 . . 667 . . 321 GLU CB . 27432 1 891 . 1 1 69 69 GLU CG C 13 36.698 . . 1 . . 742 . . 321 GLU CG . 27432 1 892 . 1 1 69 69 GLU N N 15 127.192 0.0 . 1 . . 126 . . 321 GLU N . 27432 1 stop_ save_