data_27605 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27605 _Entry.Title ; Dynamics of the leucine zipper of Nek2 kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-12 _Entry.Accession_date 2018-09-12 _Entry.Last_release_date 2018-09-12 _Entry.Original_release_date 2018-09-12 _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 Mark Pfuhl . . . . 27605 2 Daniel Gutmans . . . . 27605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 27605 '15N chemical shifts' 98 27605 '1H chemical shifts' 522 27605 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-02-15 2018-09-12 update BMRB 'update entry citation' 27605 1 . . 2019-01-17 2018-09-12 original author 'original release' 27605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP P51955 'Nek2 homo sapiens full length' 27605 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27605 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30707691 _Citation.Full_citation . _Citation.Title ; Controlling the dynamics of the Nek2 leucine zipper by engineering of "kinetic" disulphide bonds. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0210352 _Citation.Page_last e0210352 _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 Daniel Gutmans D. S. . . 27605 1 2 'Sara B-M' Whittaker S. B. . . 27605 1 3 Karishma Asiani K. . . . 27605 1 4 'R Andrew' Atkinson R. A. . . 27605 1 5 Alain Oregioni A. . . . 27605 1 6 Mark Pfuhl M. . . . 27605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27605 _Assembly.ID 1 _Assembly.Name 'Nek2 kinase dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass 11400 _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 'monomer 1 conformer A' 1 $LZ2 A . yes native yes yes 1 . 'two parallel, symmetric coiled coils that adopt two conformations' 27605 1 2 'monomer 2 conformer A' 1 $LZ2 A . yes native yes yes 1 . 'two parallel, symmetric coiled coils that adopt two conformations' 27605 1 3 'monomer 1 conformer B' 1 $LZ2 A . yes native yes yes 2 . 'two parallel, symmetric coiled coils that adopt two conformations' 27605 1 4 'monomer 2 conformer B' 1 $LZ2 A . yes native yes yes 2 . 'two parallel, symmetric coiled coils that adopt two conformations' 27605 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 48 48 SG . 2 . 1 CYS 48 48 SG . 'monomer 1 conformer A' . 342 cys S . 'monomer 2 conformer A' . 342 cys S 27605 1 2 disulfide single . 3 . 1 CYS 48 48 SG . 4 . 1 CYS 48 48 SG . 'monomer 1 conformer B' . 342 cys S . 'monomer 2 conformer B' . 342 cys S 27605 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dimerisation of Nek2 kinase' 27605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LZ2 _Entity.Sf_category entity _Entity.Sf_framecode LZ2 _Entity.Entry_ID 27605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LZ2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMASSPVLSELKLKEIQLQ ERERALKAREERLEQKEQEL AVRERLACD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G 295' _Entity.Polymer_author_seq_details 'residues 295-298 are leftover of the his-tag. The real sequence starts at S299' _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'leucine zipper' _Entity.Mutation 'C335A, E342C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5700 _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 1 yes UNP P51955 . 'NEK2, NIMA' . . . . . . . . . . . . . . 27605 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein kinase' 27605 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 1 295 GLY . 27605 1 2 296 ALA . 27605 1 3 297 MET . 27605 1 4 298 ALA . 27605 1 5 299 SER . 27605 1 6 300 SER . 27605 1 7 301 PRO . 27605 1 8 302 VAL . 27605 1 9 303 LEU . 27605 1 10 304 SER . 27605 1 11 305 GLU . 27605 1 12 306 LEU . 27605 1 13 307 LYS . 27605 1 14 308 LEU . 27605 1 15 309 LYS . 27605 1 16 310 GLU . 27605 1 17 311 ILE . 27605 1 18 312 GLN . 27605 1 19 313 LEU . 27605 1 20 314 GLN . 27605 1 21 315 GLU . 27605 1 22 316 ARG . 27605 1 23 317 GLU . 27605 1 24 318 ARG . 27605 1 25 319 ALA . 27605 1 26 320 LEU . 27605 1 27 321 LYS . 27605 1 28 322 ALA . 27605 1 29 323 ARG . 27605 1 30 324 GLU . 27605 1 31 325 GLU . 27605 1 32 326 ARG . 27605 1 33 327 LEU . 27605 1 34 328 GLU . 27605 1 35 329 GLN . 27605 1 36 330 LYS . 27605 1 37 331 GLU . 27605 1 38 332 GLN . 27605 1 39 333 GLU . 27605 1 40 334 LEU . 27605 1 41 335 ALA . 27605 1 42 336 VAL . 27605 1 43 337 ARG . 27605 1 44 338 GLU . 27605 1 45 339 ARG . 27605 1 46 340 LEU . 27605 1 47 341 ALA . 27605 1 48 342 CYS . 27605 1 49 343 ASP . 27605 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 27605 1 . ALA 2 2 27605 1 . MET 3 3 27605 1 . ALA 4 4 27605 1 . SER 5 5 27605 1 . SER 6 6 27605 1 . PRO 7 7 27605 1 . VAL 8 8 27605 1 . LEU 9 9 27605 1 . SER 10 10 27605 1 . GLU 11 11 27605 1 . LEU 12 12 27605 1 . LYS 13 13 27605 1 . LEU 14 14 27605 1 . LYS 15 15 27605 1 . GLU 16 16 27605 1 . ILE 17 17 27605 1 . GLN 18 18 27605 1 . LEU 19 19 27605 1 . GLN 20 20 27605 1 . GLU 21 21 27605 1 . ARG 22 22 27605 1 . GLU 23 23 27605 1 . ARG 24 24 27605 1 . ALA 25 25 27605 1 . LEU 26 26 27605 1 . LYS 27 27 27605 1 . ALA 28 28 27605 1 . ARG 29 29 27605 1 . GLU 30 30 27605 1 . GLU 31 31 27605 1 . ARG 32 32 27605 1 . LEU 33 33 27605 1 . GLU 34 34 27605 1 . GLN 35 35 27605 1 . LYS 36 36 27605 1 . GLU 37 37 27605 1 . GLN 38 38 27605 1 . GLU 39 39 27605 1 . LEU 40 40 27605 1 . ALA 41 41 27605 1 . VAL 42 42 27605 1 . ARG 43 43 27605 1 . GLU 44 44 27605 1 . ARG 45 45 27605 1 . LEU 46 46 27605 1 . ALA 47 47 27605 1 . CYS 48 48 27605 1 . ASP 49 49 27605 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 27605 _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 $LZ2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . NEK2_HUMAN . 27605 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 27605 _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 $LZ2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21* . . . . . pLEICS-07 . . . 27605 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27605 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LZ2 '[U-98% 15N]' . . 1 $LZ2 . . 1 . . mM 0.05 . . . 27605 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27605 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27605 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LZ2 '[U-95% 13C; U-90% 15N]' . . 1 $LZ2 . . 1 . . mM 0.05 . . . 27605 2 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27605 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27605 _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' 0.05 0.0005 M 27605 1 pH 7.2 0.1 pH 27605 1 pressure 1 . atm 27605 1 temperature 298 0.2 K 27605 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27605 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27605 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27605 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27605 _Software.ID 2 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27605 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27605 2 'data analysis' 27605 2 'peak picking' 27605 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27605 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27605 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27605 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27605 _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 spectrometer_1 Bruker Avance . 900 . . . 27605 1 2 spectrometer_2 Bruker Avance . 700 . . . 27605 1 3 spectrometer_3 Bruker Avance . 600 . . . 27605 1 4 spectrometer_4 Bruker Avance . 800 . . . 27605 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 27605 _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 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 1 7 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27605 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 27605 _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 . . . . . 27605 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27605 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27605 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_conformer_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode conformer_1 _Assigned_chem_shift_list.Entry_ID 27605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'repeated experiments' _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' . . . 27605 1 2 '3D 1H-15N NOESY' . . . 27605 1 3 '3D 1H-15N TOCSY' . . . 27605 1 4 '3D HNCA' . . . 27605 1 5 '3D HNCACB' . . . 27605 1 6 '3D HNCO' . . . 27605 1 7 '3D HNHB' . . . 27605 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 2 $CCPN_Analysis . . 27605 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 1 1 GLY HA2 H 1 3.821 0.000 . 1 . . . . . 295 GLY HA2 . 27605 1 2 . 1 1 1 1 GLY HA3 H 1 3.821 0.000 . 1 . . . . . 295 GLY HA3 . 27605 1 3 . 1 1 1 1 GLY CA C 13 43.492 0.000 . 1 . . . . . 295 GLY CA . 27605 1 4 . 1 1 6 6 SER HA H 1 4.785 0.005 . 1 . . . . . 300 SER HA . 27605 1 5 . 1 1 6 6 SER HB2 H 1 3.853 0.002 . 1 . . . . . 300 SER HB2 . 27605 1 6 . 1 1 6 6 SER CA C 13 56.564 0.015 . 1 . . . . . 300 SER CA . 27605 1 7 . 1 1 6 6 SER CB C 13 63.389 0.019 . 1 . . . . . 300 SER CB . 27605 1 8 . 1 1 7 7 PRO HA H 1 4.483 0.005 . 1 . . . . . 301 PRO HA . 27605 1 9 . 1 1 7 7 PRO HB2 H 1 2.299 0.004 . 1 . . . . . 301 PRO HB2 . 27605 1 10 . 1 1 7 7 PRO HD2 H 1 3.844 0.003 . 1 . . . . . 301 PRO HD2 . 27605 1 11 . 1 1 7 7 PRO HD3 H 1 3.744 0.005 . 1 . . . . . 301 PRO HD3 . 27605 1 12 . 1 1 7 7 PRO C C 13 174.244 0.000 . 1 . . . . . 301 PRO C . 27605 1 13 . 1 1 7 7 PRO CA C 13 63.567 0.058 . 1 . . . . . 301 PRO CA . 27605 1 14 . 1 1 7 7 PRO CB C 13 32.234 0.137 . 1 . . . . . 301 PRO CB . 27605 1 15 . 1 1 7 7 PRO CD C 13 50.930 0.021 . 1 . . . . . 301 PRO CD . 27605 1 16 . 1 1 8 8 VAL H H 1 8.194 0.002 . 1 . . . . . 302 VAL H . 27605 1 17 . 1 1 8 8 VAL HA H 1 4.091 0.000 . 1 . . . . . 302 VAL HA . 27605 1 18 . 1 1 8 8 VAL HB H 1 2.087 0.000 . 1 . . . . . 302 VAL HB . 27605 1 19 . 1 1 8 8 VAL HG11 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG11 . 27605 1 20 . 1 1 8 8 VAL HG12 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG12 . 27605 1 21 . 1 1 8 8 VAL HG13 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG13 . 27605 1 22 . 1 1 8 8 VAL HG21 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG21 . 27605 1 23 . 1 1 8 8 VAL HG22 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG22 . 27605 1 24 . 1 1 8 8 VAL HG23 H 1 0.978 0.000 . 1 . . . . . 302 VAL HG23 . 27605 1 25 . 1 1 8 8 VAL C C 13 173.970 0.000 . 1 . . . . . 302 VAL C . 27605 1 26 . 1 1 8 8 VAL CA C 13 62.822 0.015 . 1 . . . . . 302 VAL CA . 27605 1 27 . 1 1 8 8 VAL CB C 13 32.453 0.006 . 1 . . . . . 302 VAL CB . 27605 1 28 . 1 1 8 8 VAL N N 15 121.184 0.064 . 1 . . . . . 302 VAL N . 27605 1 29 . 1 1 9 9 LEU H H 1 8.277 0.003 . 1 . . . . . 303 LEU H . 27605 1 30 . 1 1 9 9 LEU HA H 1 4.358 0.000 . 1 . . . . . 303 LEU HA . 27605 1 31 . 1 1 9 9 LEU C C 13 175.768 0.000 . 1 . . . . . 303 LEU C . 27605 1 32 . 1 1 9 9 LEU CA C 13 55.832 0.000 . 1 . . . . . 303 LEU CA . 27605 1 33 . 1 1 9 9 LEU CB C 13 42.671 0.000 . 1 . . . . . 303 LEU CB . 27605 1 34 . 1 1 9 9 LEU N N 15 126.630 0.046 . 1 . . . . . 303 LEU N . 27605 1 35 . 1 1 10 10 SER H H 1 8.427 0.006 . 1 . . . . . 304 SER H . 27605 1 36 . 1 1 10 10 SER HA H 1 4.152 0.006 . 1 . . . . . 304 SER HA . 27605 1 37 . 1 1 10 10 SER HB2 H 1 3.994 0.003 . 1 . . . . . 304 SER HB2 . 27605 1 38 . 1 1 10 10 SER HB3 H 1 3.930 0.004 . 1 . . . . . 304 SER HB3 . 27605 1 39 . 1 1 10 10 SER C C 13 173.864 0.000 . 1 . . . . . 304 SER C . 27605 1 40 . 1 1 10 10 SER CA C 13 61.011 0.061 . 1 . . . . . 304 SER CA . 27605 1 41 . 1 1 10 10 SER CB C 13 62.502 0.073 . 1 . . . . . 304 SER CB . 27605 1 42 . 1 1 10 10 SER N N 15 114.778 0.076 . 1 . . . . . 304 SER N . 27605 1 43 . 1 1 11 11 GLU H H 1 7.698 0.007 . 1 . . . . . 305 GLU H . 27605 1 44 . 1 1 11 11 GLU HA H 1 4.127 0.011 . 1 . . . . . 305 GLU HA . 27605 1 45 . 1 1 11 11 GLU C C 13 176.778 0.000 . 1 . . . . . 305 GLU C . 27605 1 46 . 1 1 11 11 GLU CA C 13 59.377 0.001 . 1 . . . . . 305 GLU CA . 27605 1 47 . 1 1 11 11 GLU CB C 13 29.627 0.118 . 1 . . . . . 305 GLU CB . 27605 1 48 . 1 1 11 11 GLU N N 15 122.835 0.051 . 1 . . . . . 305 GLU N . 27605 1 49 . 1 1 12 12 LEU H H 1 8.071 0.006 . 1 . . . . . 306 LEU H . 27605 1 50 . 1 1 12 12 LEU HA H 1 4.091 0.004 . 1 . . . . . 306 LEU HA . 27605 1 51 . 1 1 12 12 LEU HB2 H 1 1.398 0.003 . 1 . . . . . 306 LEU HB2 . 27605 1 52 . 1 1 12 12 LEU HB3 H 1 1.398 0.003 . 1 . . . . . 306 LEU HB3 . 27605 1 53 . 1 1 12 12 LEU HD11 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD11 . 27605 1 54 . 1 1 12 12 LEU HD12 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD12 . 27605 1 55 . 1 1 12 12 LEU HD13 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD13 . 27605 1 56 . 1 1 12 12 LEU HD21 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD21 . 27605 1 57 . 1 1 12 12 LEU HD22 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD22 . 27605 1 58 . 1 1 12 12 LEU HD23 H 1 0.899 0.000 . 1 . . . . . 306 LEU HD23 . 27605 1 59 . 1 1 12 12 LEU C C 13 176.661 0.000 . 1 . . . . . 306 LEU C . 27605 1 60 . 1 1 12 12 LEU CA C 13 57.993 0.000 . 1 . . . . . 306 LEU CA . 27605 1 61 . 1 1 12 12 LEU N N 15 121.560 0.042 . 1 . . . . . 306 LEU N . 27605 1 62 . 1 1 13 13 LYS H H 1 8.208 0.002 . 1 . . . . . 307 LYS H . 27605 1 63 . 1 1 13 13 LYS HA H 1 4.164 0.005 . 1 . . . . . 307 LYS HA . 27605 1 64 . 1 1 13 13 LYS HB2 H 1 2.162 0.002 . 1 . . . . . 307 LYS HB2 . 27605 1 65 . 1 1 13 13 LYS HB3 H 1 1.929 0.003 . 1 . . . . . 307 LYS HB3 . 27605 1 66 . 1 1 13 13 LYS C C 13 176.521 0.000 . 1 . . . . . 307 LYS C . 27605 1 67 . 1 1 13 13 LYS CA C 13 59.500 0.000 . 1 . . . . . 307 LYS CA . 27605 1 68 . 1 1 13 13 LYS CB C 13 31.949 0.000 . 1 . . . . . 307 LYS CB . 27605 1 69 . 1 1 13 13 LYS N N 15 120.600 0.090 . 1 . . . . . 307 LYS N . 27605 1 70 . 1 1 14 14 LEU H H 1 7.673 0.005 . 1 . . . . . 308 LEU H . 27605 1 71 . 1 1 14 14 LEU HA H 1 4.128 0.011 . 1 . . . . . 308 LEU HA . 27605 1 72 . 1 1 14 14 LEU HB2 H 1 1.682 0.011 . 1 . . . . . 308 LEU HB2 . 27605 1 73 . 1 1 14 14 LEU HB3 H 1 1.682 0.011 . 1 . . . . . 308 LEU HB3 . 27605 1 74 . 1 1 14 14 LEU HD11 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD11 . 27605 1 75 . 1 1 14 14 LEU HD12 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD12 . 27605 1 76 . 1 1 14 14 LEU HD13 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD13 . 27605 1 77 . 1 1 14 14 LEU HD21 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD21 . 27605 1 78 . 1 1 14 14 LEU HD22 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD22 . 27605 1 79 . 1 1 14 14 LEU HD23 H 1 0.916 0.005 . 1 . . . . . 308 LEU HD23 . 27605 1 80 . 1 1 14 14 LEU C C 13 176.869 0.000 . 1 . . . . . 308 LEU C . 27605 1 81 . 1 1 14 14 LEU CA C 13 58.164 0.000 . 1 . . . . . 308 LEU CA . 27605 1 82 . 1 1 14 14 LEU CB C 13 40.872 0.000 . 1 . . . . . 308 LEU CB . 27605 1 83 . 1 1 14 14 LEU N N 15 119.838 0.036 . 1 . . . . . 308 LEU N . 27605 1 84 . 1 1 15 15 LYS H H 1 7.962 0.004 . 1 . . . . . 309 LYS H . 27605 1 85 . 1 1 15 15 LYS HA H 1 4.155 0.009 . 1 . . . . . 309 LYS HA . 27605 1 86 . 1 1 15 15 LYS HB2 H 1 2.034 0.021 . 1 . . . . . 309 LYS HB2 . 27605 1 87 . 1 1 15 15 LYS HB3 H 1 2.034 0.021 . 1 . . . . . 309 LYS HB3 . 27605 1 88 . 1 1 15 15 LYS C C 13 175.655 0.000 . 1 . . . . . 309 LYS C . 27605 1 89 . 1 1 15 15 LYS CA C 13 58.849 0.045 . 1 . . . . . 309 LYS CA . 27605 1 90 . 1 1 15 15 LYS CB C 13 31.403 0.016 . 1 . . . . . 309 LYS CB . 27605 1 91 . 1 1 15 15 LYS N N 15 121.068 0.031 . 1 . . . . . 309 LYS N . 27605 1 92 . 1 1 16 16 GLU H H 1 8.254 0.002 . 1 . . . . . 310 GLU H . 27605 1 93 . 1 1 16 16 GLU HA H 1 3.820 0.001 . 1 . . . . . 310 GLU HA . 27605 1 94 . 1 1 16 16 GLU HB2 H 1 2.010 0.000 . 1 . . . . . 310 GLU HB2 . 27605 1 95 . 1 1 16 16 GLU HB3 H 1 2.010 0.000 . 1 . . . . . 310 GLU HB3 . 27605 1 96 . 1 1 16 16 GLU HG2 H 1 2.279 0.000 . 1 . . . . . 310 GLU HG2 . 27605 1 97 . 1 1 16 16 GLU C C 13 175.906 0.000 . 1 . . . . . 310 GLU C . 27605 1 98 . 1 1 16 16 GLU CA C 13 60.711 0.061 . 1 . . . . . 310 GLU CA . 27605 1 99 . 1 1 16 16 GLU CB C 13 29.808 0.040 . 1 . . . . . 310 GLU CB . 27605 1 100 . 1 1 16 16 GLU N N 15 120.648 0.033 . 1 . . . . . 310 GLU N . 27605 1 101 . 1 1 17 17 ILE H H 1 7.864 0.005 . 1 . . . . . 311 ILE H . 27605 1 102 . 1 1 17 17 ILE HA H 1 3.825 0.004 . 1 . . . . . 311 ILE HA . 27605 1 103 . 1 1 17 17 ILE HB H 1 2.014 0.008 . 1 . . . . . 311 ILE HB . 27605 1 104 . 1 1 17 17 ILE HG12 H 1 1.252 0.002 . 1 . . . . . 311 ILE HG12 . 27605 1 105 . 1 1 17 17 ILE HG13 H 1 1.252 0.002 . 1 . . . . . 311 ILE HG13 . 27605 1 106 . 1 1 17 17 ILE HG21 H 1 0.978 0.006 . 1 . . . . . 311 ILE HG21 . 27605 1 107 . 1 1 17 17 ILE HG22 H 1 0.978 0.006 . 1 . . . . . 311 ILE HG22 . 27605 1 108 . 1 1 17 17 ILE HG23 H 1 0.978 0.006 . 1 . . . . . 311 ILE HG23 . 27605 1 109 . 1 1 17 17 ILE HD11 H 1 0.893 0.006 . 1 . . . . . 311 ILE HD11 . 27605 1 110 . 1 1 17 17 ILE HD12 H 1 0.893 0.006 . 1 . . . . . 311 ILE HD12 . 27605 1 111 . 1 1 17 17 ILE HD13 H 1 0.893 0.006 . 1 . . . . . 311 ILE HD13 . 27605 1 112 . 1 1 17 17 ILE C C 13 175.952 0.000 . 1 . . . . . 311 ILE C . 27605 1 113 . 1 1 17 17 ILE CA C 13 64.912 0.000 . 1 . . . . . 311 ILE CA . 27605 1 114 . 1 1 17 17 ILE CB C 13 38.372 0.068 . 1 . . . . . 311 ILE CB . 27605 1 115 . 1 1 17 17 ILE CG1 C 13 29.342 0.000 . 1 . . . . . 311 ILE CG1 . 27605 1 116 . 1 1 17 17 ILE CG2 C 13 17.322 0.013 . 1 . . . . . 311 ILE CG2 . 27605 1 117 . 1 1 17 17 ILE CD1 C 13 13.410 0.030 . 1 . . . . . 311 ILE CD1 . 27605 1 118 . 1 1 17 17 ILE N N 15 120.544 0.034 . 1 . . . . . 311 ILE N . 27605 1 119 . 1 1 18 18 GLN H H 1 8.132 0.008 . 1 . . . . . 312 GLN H . 27605 1 120 . 1 1 18 18 GLN HA H 1 4.137 0.007 . 1 . . . . . 312 GLN HA . 27605 1 121 . 1 1 18 18 GLN HB2 H 1 2.184 0.010 . 1 . . . . . 312 GLN HB2 . 27605 1 122 . 1 1 18 18 GLN HB3 H 1 2.184 0.010 . 1 . . . . . 312 GLN HB3 . 27605 1 123 . 1 1 18 18 GLN HG2 H 1 2.639 0.005 . 1 . . . . . 312 GLN HG2 . 27605 1 124 . 1 1 18 18 GLN HG3 H 1 2.354 0.001 . 1 . . . . . 312 GLN HG3 . 27605 1 125 . 1 1 18 18 GLN HE21 H 1 7.499 0.001 . 1 . . . . . 312 GLN HE21 . 27605 1 126 . 1 1 18 18 GLN HE22 H 1 6.878 0.001 . 1 . . . . . 312 GLN HE22 . 27605 1 127 . 1 1 18 18 GLN C C 13 177.391 0.000 . 1 . . . . . 312 GLN C . 27605 1 128 . 1 1 18 18 GLN CA C 13 59.291 0.117 . 1 . . . . . 312 GLN CA . 27605 1 129 . 1 1 18 18 GLN CB C 13 28.311 0.085 . 1 . . . . . 312 GLN CB . 27605 1 130 . 1 1 18 18 GLN CD C 13 177.618 0.000 . 1 . . . . . 312 GLN CD . 27605 1 131 . 1 1 18 18 GLN N N 15 121.046 0.041 . 1 . . . . . 312 GLN N . 27605 1 132 . 1 1 18 18 GLN NE2 N 15 111.866 0.164 . 1 . . . . . 312 GLN NE2 . 27605 1 133 . 1 1 19 19 LEU H H 1 8.588 0.003 . 1 . . . . . 313 LEU H . 27605 1 134 . 1 1 19 19 LEU HA H 1 4.057 0.001 . 1 . . . . . 313 LEU HA . 27605 1 135 . 1 1 19 19 LEU HB2 H 1 1.349 0.002 . 1 . . . . . 313 LEU HB2 . 27605 1 136 . 1 1 19 19 LEU HB3 H 1 1.349 0.002 . 1 . . . . . 313 LEU HB3 . 27605 1 137 . 1 1 19 19 LEU HD11 H 1 0.872 0.006 . 1 . . . . . 313 LEU HD11 . 27605 1 138 . 1 1 19 19 LEU HD12 H 1 0.872 0.006 . 1 . . . . . 313 LEU HD12 . 27605 1 139 . 1 1 19 19 LEU HD13 H 1 0.872 0.006 . 1 . . . . . 313 LEU HD13 . 27605 1 140 . 1 1 19 19 LEU HD21 H 1 0.915 0.048 . 1 . . . . . 313 LEU HD21 . 27605 1 141 . 1 1 19 19 LEU HD22 H 1 0.915 0.048 . 1 . . . . . 313 LEU HD22 . 27605 1 142 . 1 1 19 19 LEU HD23 H 1 0.915 0.048 . 1 . . . . . 313 LEU HD23 . 27605 1 143 . 1 1 19 19 LEU C C 13 176.404 0.000 . 1 . . . . . 313 LEU C . 27605 1 144 . 1 1 19 19 LEU CA C 13 58.225 0.000 . 1 . . . . . 313 LEU CA . 27605 1 145 . 1 1 19 19 LEU CB C 13 40.974 0.000 . 1 . . . . . 313 LEU CB . 27605 1 146 . 1 1 19 19 LEU N N 15 120.805 0.048 . 1 . . . . . 313 LEU N . 27605 1 147 . 1 1 20 20 GLN H H 1 8.313 0.002 . 1 . . . . . 314 GLN H . 27605 1 148 . 1 1 20 20 GLN HA H 1 4.170 0.013 . 1 . . . . . 314 GLN HA . 27605 1 149 . 1 1 20 20 GLN HB2 H 1 2.192 0.002 . 1 . . . . . 314 GLN HB2 . 27605 1 150 . 1 1 20 20 GLN HB3 H 1 2.192 0.002 . 1 . . . . . 314 GLN HB3 . 27605 1 151 . 1 1 20 20 GLN HG2 H 1 2.630 0.011 . 1 . . . . . 314 GLN HG2 . 27605 1 152 . 1 1 20 20 GLN HG3 H 1 2.420 0.005 . 1 . . . . . 314 GLN HG3 . 27605 1 153 . 1 1 20 20 GLN HE21 H 1 7.622 0.004 . 1 . . . . . 314 GLN HE21 . 27605 1 154 . 1 1 20 20 GLN HE22 H 1 6.834 0.002 . 1 . . . . . 314 GLN HE22 . 27605 1 155 . 1 1 20 20 GLN C C 13 176.843 0.000 . 1 . . . . . 314 GLN C . 27605 1 156 . 1 1 20 20 GLN CA C 13 59.452 0.069 . 1 . . . . . 314 GLN CA . 27605 1 157 . 1 1 20 20 GLN CB C 13 28.449 0.014 . 1 . . . . . 314 GLN CB . 27605 1 158 . 1 1 20 20 GLN CG C 13 34.172 0.000 . 1 . . . . . 314 GLN CG . 27605 1 159 . 1 1 20 20 GLN CD C 13 177.512 0.000 . 1 . . . . . 314 GLN CD . 27605 1 160 . 1 1 20 20 GLN N N 15 121.293 0.018 . 1 . . . . . 314 GLN N . 27605 1 161 . 1 1 20 20 GLN NE2 N 15 111.879 0.165 . 1 . . . . . 314 GLN NE2 . 27605 1 162 . 1 1 21 21 GLU H H 1 8.172 0.002 . 1 . . . . . 315 GLU H . 27605 1 163 . 1 1 21 21 GLU HA H 1 4.086 0.005 . 1 . . . . . 315 GLU HA . 27605 1 164 . 1 1 21 21 GLU HB2 H 1 2.241 0.011 . 1 . . . . . 315 GLU HB2 . 27605 1 165 . 1 1 21 21 GLU HB3 H 1 2.121 0.003 . 1 . . . . . 315 GLU HB3 . 27605 1 166 . 1 1 21 21 GLU HG2 H 1 2.408 0.000 . 1 . . . . . 315 GLU HG2 . 27605 1 167 . 1 1 21 21 GLU HG3 H 1 2.408 0.000 . 1 . . . . . 315 GLU HG3 . 27605 1 168 . 1 1 21 21 GLU C C 13 176.840 0.000 . 1 . . . . . 315 GLU C . 27605 1 169 . 1 1 21 21 GLU CA C 13 59.568 0.000 . 1 . . . . . 315 GLU CA . 27605 1 170 . 1 1 21 21 GLU CB C 13 29.185 0.070 . 1 . . . . . 315 GLU CB . 27605 1 171 . 1 1 21 21 GLU N N 15 120.908 0.028 . 1 . . . . . 315 GLU N . 27605 1 172 . 1 1 22 22 ARG H H 1 8.246 0.005 . 1 . . . . . 316 ARG H . 27605 1 173 . 1 1 22 22 ARG HA H 1 4.198 0.022 . 1 . . . . . 316 ARG HA . 27605 1 174 . 1 1 22 22 ARG HB2 H 1 2.031 0.011 . 1 . . . . . 316 ARG HB2 . 27605 1 175 . 1 1 22 22 ARG HB3 H 1 2.031 0.011 . 1 . . . . . 316 ARG HB3 . 27605 1 176 . 1 1 22 22 ARG C C 13 176.379 0.000 . 1 . . . . . 316 ARG C . 27605 1 177 . 1 1 22 22 ARG CA C 13 59.491 0.000 . 1 . . . . . 316 ARG CA . 27605 1 178 . 1 1 22 22 ARG CB C 13 31.163 0.000 . 1 . . . . . 316 ARG CB . 27605 1 179 . 1 1 22 22 ARG N N 15 122.489 0.044 . 1 . . . . . 316 ARG N . 27605 1 180 . 1 1 23 23 GLU H H 1 8.571 0.004 . 1 . . . . . 317 GLU H . 27605 1 181 . 1 1 23 23 GLU HA H 1 3.877 0.009 . 1 . . . . . 317 GLU HA . 27605 1 182 . 1 1 23 23 GLU HB2 H 1 2.262 0.007 . 1 . . . . . 317 GLU HB2 . 27605 1 183 . 1 1 23 23 GLU HB3 H 1 2.262 0.007 . 1 . . . . . 317 GLU HB3 . 27605 1 184 . 1 1 23 23 GLU C C 13 175.475 0.000 . 1 . . . . . 317 GLU C . 27605 1 185 . 1 1 23 23 GLU CA C 13 60.475 0.000 . 1 . . . . . 317 GLU CA . 27605 1 186 . 1 1 23 23 GLU CB C 13 29.611 0.000 . 1 . . . . . 317 GLU CB . 27605 1 187 . 1 1 23 23 GLU N N 15 121.785 0.053 . 1 . . . . . 317 GLU N . 27605 1 188 . 1 1 24 24 ARG H H 1 8.097 0.003 . 1 . . . . . 318 ARG H . 27605 1 189 . 1 1 24 24 ARG HA H 1 4.064 0.001 . 1 . . . . . 318 ARG HA . 27605 1 190 . 1 1 24 24 ARG HB2 H 1 1.988 0.011 . 1 . . . . . 318 ARG HB2 . 27605 1 191 . 1 1 24 24 ARG HB3 H 1 1.988 0.011 . 1 . . . . . 318 ARG HB3 . 27605 1 192 . 1 1 24 24 ARG C C 13 176.869 0.000 . 1 . . . . . 318 ARG C . 27605 1 193 . 1 1 24 24 ARG CA C 13 60.023 0.063 . 1 . . . . . 318 ARG CA . 27605 1 194 . 1 1 24 24 ARG N N 15 120.432 0.046 . 1 . . . . . 318 ARG N . 27605 1 195 . 1 1 25 25 ALA H H 1 8.078 0.003 . 1 . . . . . 319 ALA H . 27605 1 196 . 1 1 25 25 ALA HA H 1 4.231 0.001 . 1 . . . . . 319 ALA HA . 27605 1 197 . 1 1 25 25 ALA HB1 H 1 1.567 0.005 . 1 . . . . . 319 ALA HB1 . 27605 1 198 . 1 1 25 25 ALA HB2 H 1 1.567 0.005 . 1 . . . . . 319 ALA HB2 . 27605 1 199 . 1 1 25 25 ALA HB3 H 1 1.567 0.005 . 1 . . . . . 319 ALA HB3 . 27605 1 200 . 1 1 25 25 ALA C C 13 178.342 0.000 . 1 . . . . . 319 ALA C . 27605 1 201 . 1 1 25 25 ALA CA C 13 55.135 0.069 . 1 . . . . . 319 ALA CA . 27605 1 202 . 1 1 25 25 ALA CB C 13 18.179 0.018 . 1 . . . . . 319 ALA CB . 27605 1 203 . 1 1 25 25 ALA N N 15 123.376 0.041 . 1 . . . . . 319 ALA N . 27605 1 204 . 1 1 26 26 LEU H H 1 8.181 0.004 . 1 . . . . . 320 LEU H . 27605 1 205 . 1 1 26 26 LEU HA H 1 4.070 0.005 . 1 . . . . . 320 LEU HA . 27605 1 206 . 1 1 26 26 LEU HB2 H 1 1.583 0.005 . 1 . . . . . 320 LEU HB2 . 27605 1 207 . 1 1 26 26 LEU HB3 H 1 1.583 0.005 . 1 . . . . . 320 LEU HB3 . 27605 1 208 . 1 1 26 26 LEU HD11 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD11 . 27605 1 209 . 1 1 26 26 LEU HD12 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD12 . 27605 1 210 . 1 1 26 26 LEU HD13 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD13 . 27605 1 211 . 1 1 26 26 LEU HD21 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD21 . 27605 1 212 . 1 1 26 26 LEU HD22 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD22 . 27605 1 213 . 1 1 26 26 LEU HD23 H 1 0.939 0.006 . 1 . . . . . 320 LEU HD23 . 27605 1 214 . 1 1 26 26 LEU C C 13 175.980 0.000 . 1 . . . . . 320 LEU C . 27605 1 215 . 1 1 26 26 LEU CA C 13 58.144 0.038 . 1 . . . . . 320 LEU CA . 27605 1 216 . 1 1 26 26 LEU N N 15 121.453 0.026 . 1 . . . . . 320 LEU N . 27605 1 217 . 1 1 27 27 LYS H H 1 8.335 0.002 . 1 . . . . . 321 LYS H . 27605 1 218 . 1 1 27 27 LYS HA H 1 4.231 0.013 . 1 . . . . . 321 LYS HA . 27605 1 219 . 1 1 27 27 LYS HB2 H 1 1.942 0.010 . 1 . . . . . 321 LYS HB2 . 27605 1 220 . 1 1 27 27 LYS HB3 H 1 1.942 0.010 . 1 . . . . . 321 LYS HB3 . 27605 1 221 . 1 1 27 27 LYS C C 13 176.146 0.000 . 1 . . . . . 321 LYS C . 27605 1 222 . 1 1 27 27 LYS CA C 13 59.370 0.000 . 1 . . . . . 321 LYS CA . 27605 1 223 . 1 1 27 27 LYS CB C 13 32.147 0.000 . 1 . . . . . 321 LYS CB . 27605 1 224 . 1 1 27 27 LYS N N 15 121.539 0.025 . 1 . . . . . 321 LYS N . 27605 1 225 . 1 1 28 28 ALA H H 1 7.675 0.003 . 1 . . . . . 322 ALA H . 27605 1 226 . 1 1 28 28 ALA HA H 1 4.261 0.006 . 1 . . . . . 322 ALA HA . 27605 1 227 . 1 1 28 28 ALA HB1 H 1 1.545 0.004 . 1 . . . . . 322 ALA HB1 . 27605 1 228 . 1 1 28 28 ALA HB2 H 1 1.545 0.004 . 1 . . . . . 322 ALA HB2 . 27605 1 229 . 1 1 28 28 ALA HB3 H 1 1.545 0.004 . 1 . . . . . 322 ALA HB3 . 27605 1 230 . 1 1 28 28 ALA C C 13 178.285 0.000 . 1 . . . . . 322 ALA C . 27605 1 231 . 1 1 28 28 ALA CA C 13 55.220 0.002 . 1 . . . . . 322 ALA CA . 27605 1 232 . 1 1 28 28 ALA CB C 13 17.907 0.031 . 1 . . . . . 322 ALA CB . 27605 1 233 . 1 1 28 28 ALA N N 15 121.001 0.035 . 1 . . . . . 322 ALA N . 27605 1 234 . 1 1 29 29 ARG H H 1 7.825 0.005 . 1 . . . . . 323 ARG H . 27605 1 235 . 1 1 29 29 ARG HA H 1 4.077 0.010 . 1 . . . . . 323 ARG HA . 27605 1 236 . 1 1 29 29 ARG HB2 H 1 2.012 0.010 . 1 . . . . . 323 ARG HB2 . 27605 1 237 . 1 1 29 29 ARG HB3 H 1 2.012 0.010 . 1 . . . . . 323 ARG HB3 . 27605 1 238 . 1 1 29 29 ARG C C 13 176.882 0.000 . 1 . . . . . 323 ARG C . 27605 1 239 . 1 1 29 29 ARG CA C 13 59.624 0.000 . 1 . . . . . 323 ARG CA . 27605 1 240 . 1 1 29 29 ARG CB C 13 31.952 0.000 . 1 . . . . . 323 ARG CB . 27605 1 241 . 1 1 29 29 ARG N N 15 120.393 0.036 . 1 . . . . . 323 ARG N . 27605 1 242 . 1 1 30 30 GLU H H 1 8.843 0.002 . 1 . . . . . 324 GLU H . 27605 1 243 . 1 1 30 30 GLU HA H 1 3.883 0.009 . 1 . . . . . 324 GLU HA . 27605 1 244 . 1 1 30 30 GLU HB2 H 1 2.163 0.002 . 1 . . . . . 324 GLU HB2 . 27605 1 245 . 1 1 30 30 GLU HB3 H 1 2.163 0.002 . 1 . . . . . 324 GLU HB3 . 27605 1 246 . 1 1 30 30 GLU HG2 H 1 2.417 0.001 . 1 . . . . . 324 GLU HG2 . 27605 1 247 . 1 1 30 30 GLU HG3 H 1 2.417 0.000 . 1 . . . . . 324 GLU HG3 . 27605 1 248 . 1 1 30 30 GLU C C 13 176.018 0.000 . 1 . . . . . 324 GLU C . 27605 1 249 . 1 1 30 30 GLU CA C 13 60.204 0.003 . 1 . . . . . 324 GLU CA . 27605 1 250 . 1 1 30 30 GLU CB C 13 29.607 0.074 . 1 . . . . . 324 GLU CB . 27605 1 251 . 1 1 30 30 GLU N N 15 123.318 0.035 . 1 . . . . . 324 GLU N . 27605 1 252 . 1 1 31 31 GLU H H 1 8.381 0.005 . 1 . . . . . 325 GLU H . 27605 1 253 . 1 1 31 31 GLU HA H 1 4.089 0.003 . 1 . . . . . 325 GLU HA . 27605 1 254 . 1 1 31 31 GLU HB2 H 1 2.073 0.003 . 1 . . . . . 325 GLU HB2 . 27605 1 255 . 1 1 31 31 GLU HB3 H 1 2.073 0.003 . 1 . . . . . 325 GLU HB3 . 27605 1 256 . 1 1 31 31 GLU HG2 H 1 2.563 0.000 . 1 . . . . . 325 GLU HG2 . 27605 1 257 . 1 1 31 31 GLU HG3 H 1 2.563 0.000 . 1 . . . . . 325 GLU HG3 . 27605 1 258 . 1 1 31 31 GLU C C 13 177.104 0.000 . 1 . . . . . 325 GLU C . 27605 1 259 . 1 1 31 31 GLU CA C 13 59.855 0.000 . 1 . . . . . 325 GLU CA . 27605 1 260 . 1 1 31 31 GLU CB C 13 29.587 0.030 . 1 . . . . . 325 GLU CB . 27605 1 261 . 1 1 31 31 GLU N N 15 120.492 0.035 . 1 . . . . . 325 GLU N . 27605 1 262 . 1 1 32 32 ARG H H 1 7.845 0.007 . 1 . . . . . 326 ARG H . 27605 1 263 . 1 1 32 32 ARG HA H 1 4.172 0.002 . 1 . . . . . 326 ARG HA . 27605 1 264 . 1 1 32 32 ARG HB2 H 1 1.992 0.003 . 1 . . . . . 326 ARG HB2 . 27605 1 265 . 1 1 32 32 ARG HB3 H 1 1.992 0.003 . 1 . . . . . 326 ARG HB3 . 27605 1 266 . 1 1 32 32 ARG C C 13 176.276 0.000 . 1 . . . . . 326 ARG C . 27605 1 267 . 1 1 32 32 ARG CA C 13 59.628 0.000 . 1 . . . . . 326 ARG CA . 27605 1 268 . 1 1 32 32 ARG N N 15 120.276 0.019 . 1 . . . . . 326 ARG N . 27605 1 269 . 1 1 33 33 LEU H H 1 8.013 0.004 . 1 . . . . . 327 LEU H . 27605 1 270 . 1 1 33 33 LEU HA H 1 4.061 0.002 . 1 . . . . . 327 LEU HA . 27605 1 271 . 1 1 33 33 LEU HB2 H 1 1.871 0.016 . 1 . . . . . 327 LEU HB2 . 27605 1 272 . 1 1 33 33 LEU HB3 H 1 1.871 0.016 . 1 . . . . . 327 LEU HB3 . 27605 1 273 . 1 1 33 33 LEU HD11 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD11 . 27605 1 274 . 1 1 33 33 LEU HD12 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD12 . 27605 1 275 . 1 1 33 33 LEU HD13 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD13 . 27605 1 276 . 1 1 33 33 LEU HD21 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD21 . 27605 1 277 . 1 1 33 33 LEU HD22 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD22 . 27605 1 278 . 1 1 33 33 LEU HD23 H 1 0.957 0.002 . 1 . . . . . 327 LEU HD23 . 27605 1 279 . 1 1 33 33 LEU C C 13 175.755 0.000 . 1 . . . . . 327 LEU C . 27605 1 280 . 1 1 33 33 LEU CA C 13 58.195 0.010 . 1 . . . . . 327 LEU CA . 27605 1 281 . 1 1 33 33 LEU N N 15 122.101 0.045 . 1 . . . . . 327 LEU N . 27605 1 282 . 1 1 34 34 GLU H H 1 8.280 0.003 . 1 . . . . . 328 GLU H . 27605 1 283 . 1 1 34 34 GLU HA H 1 4.117 0.004 . 1 . . . . . 328 GLU HA . 27605 1 284 . 1 1 34 34 GLU HB2 H 1 2.222 0.004 . 1 . . . . . 328 GLU HB2 . 27605 1 285 . 1 1 34 34 GLU HB3 H 1 2.122 0.007 . 1 . . . . . 328 GLU HB3 . 27605 1 286 . 1 1 34 34 GLU HG2 H 1 2.449 0.000 . 1 . . . . . 328 GLU HG2 . 27605 1 287 . 1 1 34 34 GLU HG3 H 1 2.449 0.000 . 1 . . . . . 328 GLU HG3 . 27605 1 288 . 1 1 34 34 GLU C C 13 176.941 0.000 . 1 . . . . . 328 GLU C . 27605 1 289 . 1 1 34 34 GLU CA C 13 59.732 0.015 . 1 . . . . . 328 GLU CA . 27605 1 290 . 1 1 34 34 GLU CB C 13 29.391 0.014 . 1 . . . . . 328 GLU CB . 27605 1 291 . 1 1 34 34 GLU N N 15 119.938 0.043 . 1 . . . . . 328 GLU N . 27605 1 292 . 1 1 35 35 GLN H H 1 7.647 0.004 . 1 . . . . . 329 GLN H . 27605 1 293 . 1 1 35 35 GLN HA H 1 4.096 0.002 . 1 . . . . . 329 GLN HA . 27605 1 294 . 1 1 35 35 GLN HB2 H 1 2.230 0.004 . 1 . . . . . 329 GLN HB2 . 27605 1 295 . 1 1 35 35 GLN HB3 H 1 2.230 0.004 . 1 . . . . . 329 GLN HB3 . 27605 1 296 . 1 1 35 35 GLN HG2 H 1 2.576 0.000 . 1 . . . . . 329 GLN HG2 . 27605 1 297 . 1 1 35 35 GLN HG3 H 1 2.437 0.000 . 1 . . . . . 329 GLN HG3 . 27605 1 298 . 1 1 35 35 GLN HE21 H 1 7.661 0.001 . 1 . . . . . 329 GLN HE21 . 27605 1 299 . 1 1 35 35 GLN HE22 H 1 6.800 0.000 . 1 . . . . . 329 GLN HE22 . 27605 1 300 . 1 1 35 35 GLN C C 13 176.792 0.000 . 1 . . . . . 329 GLN C . 27605 1 301 . 1 1 35 35 GLN CA C 13 59.149 0.025 . 1 . . . . . 329 GLN CA . 27605 1 302 . 1 1 35 35 GLN CB C 13 28.164 0.010 . 1 . . . . . 329 GLN CB . 27605 1 303 . 1 1 35 35 GLN CD C 13 177.475 0.000 . 1 . . . . . 329 GLN CD . 27605 1 304 . 1 1 35 35 GLN N N 15 118.885 0.039 . 1 . . . . . 329 GLN N . 27605 1 305 . 1 1 35 35 GLN NE2 N 15 112.633 0.195 . 1 . . . . . 329 GLN NE2 . 27605 1 306 . 1 1 36 36 LYS H H 1 8.204 0.017 . 1 . . . . . 330 LYS H . 27605 1 307 . 1 1 36 36 LYS HA H 1 4.113 0.003 . 1 . . . . . 330 LYS HA . 27605 1 308 . 1 1 36 36 LYS HB2 H 1 2.010 0.002 . 1 . . . . . 330 LYS HB2 . 27605 1 309 . 1 1 36 36 LYS HB3 H 1 2.010 0.002 . 1 . . . . . 330 LYS HB3 . 27605 1 310 . 1 1 36 36 LYS C C 13 177.035 0.000 . 1 . . . . . 330 LYS C . 27605 1 311 . 1 1 36 36 LYS CA C 13 59.350 0.000 . 1 . . . . . 330 LYS CA . 27605 1 312 . 1 1 36 36 LYS CB C 13 28.353 0.000 . 1 . . . . . 330 LYS CB . 27605 1 313 . 1 1 36 36 LYS N N 15 121.684 0.045 . 1 . . . . . 330 LYS N . 27605 1 314 . 1 1 37 37 GLU H H 1 9.065 0.004 . 1 . . . . . 331 GLU H . 27605 1 315 . 1 1 37 37 GLU HA H 1 3.896 0.006 . 1 . . . . . 331 GLU HA . 27605 1 316 . 1 1 37 37 GLU HB2 H 1 2.379 0.004 . 1 . . . . . 331 GLU HB2 . 27605 1 317 . 1 1 37 37 GLU HB3 H 1 2.021 0.005 . 1 . . . . . 331 GLU HB3 . 27605 1 318 . 1 1 37 37 GLU HG2 H 1 2.532 0.001 . 1 . . . . . 331 GLU HG2 . 27605 1 319 . 1 1 37 37 GLU HG3 H 1 2.243 0.001 . 1 . . . . . 331 GLU HG3 . 27605 1 320 . 1 1 37 37 GLU C C 13 177.473 0.000 . 1 . . . . . 331 GLU C . 27605 1 321 . 1 1 37 37 GLU CA C 13 60.248 0.003 . 1 . . . . . 331 GLU CA . 27605 1 322 . 1 1 37 37 GLU CB C 13 29.665 0.028 . 1 . . . . . 331 GLU CB . 27605 1 323 . 1 1 37 37 GLU CG C 13 36.586 0.009 . 1 . . . . . 331 GLU CG . 27605 1 324 . 1 1 37 37 GLU N N 15 121.344 0.040 . 1 . . . . . 331 GLU N . 27605 1 325 . 1 1 38 38 GLN H H 1 7.939 0.003 . 1 . . . . . 332 GLN H . 27605 1 326 . 1 1 38 38 GLN HA H 1 4.152 0.005 . 1 . . . . . 332 GLN HA . 27605 1 327 . 1 1 38 38 GLN HB2 H 1 2.242 0.005 . 1 . . . . . 332 GLN HB2 . 27605 1 328 . 1 1 38 38 GLN HB3 H 1 2.242 0.005 . 1 . . . . . 332 GLN HB3 . 27605 1 329 . 1 1 38 38 GLN HG2 H 1 2.605 0.000 . 1 . . . . . 332 GLN HG2 . 27605 1 330 . 1 1 38 38 GLN HG3 H 1 2.511 0.000 . 1 . . . . . 332 GLN HG3 . 27605 1 331 . 1 1 38 38 GLN HE21 H 1 7.545 0.002 . 1 . . . . . 332 GLN HE21 . 27605 1 332 . 1 1 38 38 GLN HE22 H 1 6.822 0.001 . 1 . . . . . 332 GLN HE22 . 27605 1 333 . 1 1 38 38 GLN C C 13 175.945 0.000 . 1 . . . . . 332 GLN C . 27605 1 334 . 1 1 38 38 GLN CA C 13 58.920 0.065 . 1 . . . . . 332 GLN CA . 27605 1 335 . 1 1 38 38 GLN CB C 13 28.093 0.063 . 1 . . . . . 332 GLN CB . 27605 1 336 . 1 1 38 38 GLN CG C 13 33.889 0.000 . 1 . . . . . 332 GLN CG . 27605 1 337 . 1 1 38 38 GLN CD C 13 177.617 0.000 . 1 . . . . . 332 GLN CD . 27605 1 338 . 1 1 38 38 GLN N N 15 120.323 0.039 . 1 . . . . . 332 GLN N . 27605 1 339 . 1 1 38 38 GLN NE2 N 15 112.514 0.162 . 1 . . . . . 332 GLN NE2 . 27605 1 340 . 1 1 39 39 GLU H H 1 8.128 0.014 . 1 . . . . . 333 GLU H . 27605 1 341 . 1 1 39 39 GLU HA H 1 4.049 0.007 . 1 . . . . . 333 GLU HA . 27605 1 342 . 1 1 39 39 GLU HB2 H 1 2.177 0.003 . 1 . . . . . 333 GLU HB2 . 27605 1 343 . 1 1 39 39 GLU HB3 H 1 2.177 0.003 . 1 . . . . . 333 GLU HB3 . 27605 1 344 . 1 1 39 39 GLU HG2 H 1 2.537 0.000 . 1 . . . . . 333 GLU HG2 . 27605 1 345 . 1 1 39 39 GLU HG3 H 1 2.537 0.000 . 1 . . . . . 333 GLU HG3 . 27605 1 346 . 1 1 39 39 GLU C C 13 177.169 0.000 . 1 . . . . . 333 GLU C . 27605 1 347 . 1 1 39 39 GLU CA C 13 59.418 0.042 . 1 . . . . . 333 GLU CA . 27605 1 348 . 1 1 39 39 GLU CB C 13 28.425 0.000 . 1 . . . . . 333 GLU CB . 27605 1 349 . 1 1 39 39 GLU N N 15 121.244 0.033 . 1 . . . . . 333 GLU N . 27605 1 350 . 1 1 40 40 LEU H H 1 8.285 0.003 . 1 . . . . . 334 LEU H . 27605 1 351 . 1 1 40 40 LEU HA H 1 4.043 0.001 . 1 . . . . . 334 LEU HA . 27605 1 352 . 1 1 40 40 LEU HB2 H 1 1.648 0.011 . 1 . . . . . 334 LEU HB2 . 27605 1 353 . 1 1 40 40 LEU HB3 H 1 1.648 0.011 . 1 . . . . . 334 LEU HB3 . 27605 1 354 . 1 1 40 40 LEU HD11 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD11 . 27605 1 355 . 1 1 40 40 LEU HD12 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD12 . 27605 1 356 . 1 1 40 40 LEU HD13 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD13 . 27605 1 357 . 1 1 40 40 LEU HD21 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD21 . 27605 1 358 . 1 1 40 40 LEU HD22 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD22 . 27605 1 359 . 1 1 40 40 LEU HD23 H 1 0.908 0.012 . 1 . . . . . 334 LEU HD23 . 27605 1 360 . 1 1 40 40 LEU C C 13 175.617 0.000 . 1 . . . . . 334 LEU C . 27605 1 361 . 1 1 40 40 LEU CA C 13 57.924 0.003 . 1 . . . . . 334 LEU CA . 27605 1 362 . 1 1 40 40 LEU CB C 13 42.150 0.000 . 1 . . . . . 334 LEU CB . 27605 1 363 . 1 1 40 40 LEU N N 15 120.893 0.024 . 1 . . . . . 334 LEU N . 27605 1 364 . 1 1 41 41 ALA H H 1 7.772 0.003 . 1 . . . . . 335 ALA H . 27605 1 365 . 1 1 41 41 ALA HA H 1 4.250 0.006 . 1 . . . . . 335 ALA HA . 27605 1 366 . 1 1 41 41 ALA HB1 H 1 1.554 0.004 . 1 . . . . . 335 ALA HB1 . 27605 1 367 . 1 1 41 41 ALA HB2 H 1 1.554 0.004 . 1 . . . . . 335 ALA HB2 . 27605 1 368 . 1 1 41 41 ALA HB3 H 1 1.554 0.004 . 1 . . . . . 335 ALA HB3 . 27605 1 369 . 1 1 41 41 ALA C C 13 178.181 0.000 . 1 . . . . . 335 ALA C . 27605 1 370 . 1 1 41 41 ALA CA C 13 55.138 0.019 . 1 . . . . . 335 ALA CA . 27605 1 371 . 1 1 41 41 ALA CB C 13 18.034 0.037 . 1 . . . . . 335 ALA CB . 27605 1 372 . 1 1 41 41 ALA N N 15 121.891 0.031 . 1 . . . . . 335 ALA N . 27605 1 373 . 1 1 42 42 VAL H H 1 7.541 0.008 . 1 . . . . . 336 VAL H . 27605 1 374 . 1 1 42 42 VAL HA H 1 3.733 0.008 . 1 . . . . . 336 VAL HA . 27605 1 375 . 1 1 42 42 VAL HB H 1 2.249 0.003 . 1 . . . . . 336 VAL HB . 27605 1 376 . 1 1 42 42 VAL HG11 H 1 1.105 0.006 . 1 . . . . . 336 VAL HG11 . 27605 1 377 . 1 1 42 42 VAL HG12 H 1 1.105 0.006 . 1 . . . . . 336 VAL HG12 . 27605 1 378 . 1 1 42 42 VAL HG13 H 1 1.105 0.006 . 1 . . . . . 336 VAL HG13 . 27605 1 379 . 1 1 42 42 VAL HG21 H 1 0.973 0.007 . 1 . . . . . 336 VAL HG21 . 27605 1 380 . 1 1 42 42 VAL HG22 H 1 0.973 0.007 . 1 . . . . . 336 VAL HG22 . 27605 1 381 . 1 1 42 42 VAL HG23 H 1 0.973 0.007 . 1 . . . . . 336 VAL HG23 . 27605 1 382 . 1 1 42 42 VAL C C 13 175.777 0.000 . 1 . . . . . 336 VAL C . 27605 1 383 . 1 1 42 42 VAL CA C 13 65.990 0.114 . 1 . . . . . 336 VAL CA . 27605 1 384 . 1 1 42 42 VAL CB C 13 32.067 0.048 . 1 . . . . . 336 VAL CB . 27605 1 385 . 1 1 42 42 VAL CG1 C 13 22.417 0.032 . 1 . . . . . 336 VAL CG1 . 27605 1 386 . 1 1 42 42 VAL CG2 C 13 21.377 0.056 . 1 . . . . . 336 VAL CG2 . 27605 1 387 . 1 1 42 42 VAL N N 15 118.110 0.032 . 1 . . . . . 336 VAL N . 27605 1 388 . 1 1 43 43 ARG H H 1 7.757 0.005 . 1 . . . . . 337 ARG H . 27605 1 389 . 1 1 43 43 ARG HA H 1 4.047 0.010 . 1 . . . . . 337 ARG HA . 27605 1 390 . 1 1 43 43 ARG HB2 H 1 1.922 0.004 . 1 . . . . . 337 ARG HB2 . 27605 1 391 . 1 1 43 43 ARG HB3 H 1 1.922 0.004 . 1 . . . . . 337 ARG HB3 . 27605 1 392 . 1 1 43 43 ARG C C 13 176.495 0.000 . 1 . . . . . 337 ARG C . 27605 1 393 . 1 1 43 43 ARG CA C 13 59.178 0.000 . 1 . . . . . 337 ARG CA . 27605 1 394 . 1 1 43 43 ARG CB C 13 31.087 0.000 . 1 . . . . . 337 ARG CB . 27605 1 395 . 1 1 43 43 ARG N N 15 120.685 0.043 . 1 . . . . . 337 ARG N . 27605 1 396 . 1 1 44 44 GLU H H 1 8.539 0.005 . 1 . . . . . 338 GLU H . 27605 1 397 . 1 1 44 44 GLU HA H 1 3.997 0.009 . 1 . . . . . 338 GLU HA . 27605 1 398 . 1 1 44 44 GLU HB2 H 1 2.116 0.018 . 1 . . . . . 338 GLU HB2 . 27605 1 399 . 1 1 44 44 GLU HB3 H 1 2.088 0.023 . 1 . . . . . 338 GLU HB3 . 27605 1 400 . 1 1 44 44 GLU HG2 H 1 2.367 0.000 . 1 . . . . . 338 GLU HG2 . 27605 1 401 . 1 1 44 44 GLU HG3 H 1 2.260 0.000 . 1 . . . . . 338 GLU HG3 . 27605 1 402 . 1 1 44 44 GLU C C 13 174.980 0.000 . 1 . . . . . 338 GLU C . 27605 1 403 . 1 1 44 44 GLU CA C 13 58.975 0.020 . 1 . . . . . 338 GLU CA . 27605 1 404 . 1 1 44 44 GLU CB C 13 30.022 0.118 . 1 . . . . . 338 GLU CB . 27605 1 405 . 1 1 44 44 GLU N N 15 119.840 0.045 . 1 . . . . . 338 GLU N . 27605 1 406 . 1 1 45 45 ARG H H 1 7.501 0.004 . 1 . . . . . 339 ARG H . 27605 1 407 . 1 1 45 45 ARG HA H 1 4.261 0.003 . 1 . . . . . 339 ARG HA . 27605 1 408 . 1 1 45 45 ARG HB2 H 1 1.991 0.008 . 1 . . . . . 339 ARG HB2 . 27605 1 409 . 1 1 45 45 ARG HB3 H 1 1.991 0.008 . 1 . . . . . 339 ARG HB3 . 27605 1 410 . 1 1 45 45 ARG C C 13 174.538 0.000 . 1 . . . . . 339 ARG C . 27605 1 411 . 1 1 45 45 ARG CA C 13 57.629 0.068 . 1 . . . . . 339 ARG CA . 27605 1 412 . 1 1 45 45 ARG CB C 13 30.393 0.053 . 1 . . . . . 339 ARG CB . 27605 1 413 . 1 1 45 45 ARG N N 15 118.661 0.036 . 1 . . . . . 339 ARG N . 27605 1 414 . 1 1 46 46 LEU H H 1 7.735 0.005 . 1 . . . . . 340 LEU H . 27605 1 415 . 1 1 46 46 LEU HA H 1 4.310 0.003 . 1 . . . . . 340 LEU HA . 27605 1 416 . 1 1 46 46 LEU HB2 H 1 1.775 0.013 . 1 . . . . . 340 LEU HB2 . 27605 1 417 . 1 1 46 46 LEU HB3 H 1 1.636 0.006 . 1 . . . . . 340 LEU HB3 . 27605 1 418 . 1 1 46 46 LEU HD11 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD11 . 27605 1 419 . 1 1 46 46 LEU HD12 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD12 . 27605 1 420 . 1 1 46 46 LEU HD13 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD13 . 27605 1 421 . 1 1 46 46 LEU HD21 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD21 . 27605 1 422 . 1 1 46 46 LEU HD22 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD22 . 27605 1 423 . 1 1 46 46 LEU HD23 H 1 0.887 0.004 . 1 . . . . . 340 LEU HD23 . 27605 1 424 . 1 1 46 46 LEU C C 13 174.397 0.000 . 1 . . . . . 340 LEU C . 27605 1 425 . 1 1 46 46 LEU CA C 13 55.645 0.037 . 1 . . . . . 340 LEU CA . 27605 1 426 . 1 1 46 46 LEU CB C 13 42.277 0.167 . 1 . . . . . 340 LEU CB . 27605 1 427 . 1 1 46 46 LEU N N 15 120.808 0.053 . 1 . . . . . 340 LEU N . 27605 1 428 . 1 1 47 47 ALA H H 1 7.797 0.006 . 1 . . . . . 341 ALA H . 27605 1 429 . 1 1 47 47 ALA HA H 1 4.397 0.008 . 1 . . . . . 341 ALA HA . 27605 1 430 . 1 1 47 47 ALA HB1 H 1 1.436 0.008 . 1 . . . . . 341 ALA HB1 . 27605 1 431 . 1 1 47 47 ALA HB2 H 1 1.436 0.008 . 1 . . . . . 341 ALA HB2 . 27605 1 432 . 1 1 47 47 ALA HB3 H 1 1.436 0.008 . 1 . . . . . 341 ALA HB3 . 27605 1 433 . 1 1 47 47 ALA C C 13 174.768 0.000 . 1 . . . . . 341 ALA C . 27605 1 434 . 1 1 47 47 ALA CA C 13 52.709 0.061 . 1 . . . . . 341 ALA CA . 27605 1 435 . 1 1 47 47 ALA CB C 13 19.543 0.056 . 1 . . . . . 341 ALA CB . 27605 1 436 . 1 1 47 47 ALA N N 15 123.902 0.027 . 1 . . . . . 341 ALA N . 27605 1 437 . 1 1 48 48 CYS H H 1 8.304 0.004 . 1 . . . . . 342 CYS H . 27605 1 438 . 1 1 48 48 CYS HA H 1 4.747 0.013 . 1 . . . . . 342 CYS HA . 27605 1 439 . 1 1 48 48 CYS HB2 H 1 3.343 0.005 . 1 . . . . . 342 CYS HB2 . 27605 1 440 . 1 1 48 48 CYS HB3 H 1 2.978 0.006 . 1 . . . . . 342 CYS HB3 . 27605 1 441 . 1 1 48 48 CYS C C 13 171.126 0.000 . 1 . . . . . 342 CYS C . 27605 1 442 . 1 1 48 48 CYS CA C 13 55.167 0.008 . 1 . . . . . 342 CYS CA . 27605 1 443 . 1 1 48 48 CYS CB C 13 40.951 0.063 . 1 . . . . . 342 CYS CB . 27605 1 444 . 1 1 48 48 CYS N N 15 118.155 0.024 . 1 . . . . . 342 CYS N . 27605 1 445 . 1 1 49 49 ASP H H 1 8.095 0.001 . 1 . . . . . 343 ASP H . 27605 1 446 . 1 1 49 49 ASP HA H 1 4.424 0.000 . 1 . . . . . 343 ASP HA . 27605 1 447 . 1 1 49 49 ASP HB2 H 1 2.605 0.037 . 1 . . . . . 343 ASP HB2 . 27605 1 448 . 1 1 49 49 ASP HB3 H 1 2.664 0.003 . 1 . . . . . 343 ASP HB3 . 27605 1 449 . 1 1 49 49 ASP CA C 13 56.312 0.000 . 1 . . . . . 343 ASP CA . 27605 1 450 . 1 1 49 49 ASP CB C 13 42.435 0.052 . 1 . . . . . 343 ASP CB . 27605 1 451 . 1 1 49 49 ASP N N 15 127.625 0.042 . 1 . . . . . 343 ASP N . 27605 1 stop_ save_ save_conformer_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode conformer_2 _Assigned_chem_shift_list.Entry_ID 27605 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'repeated experiments' _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' . . . 27605 2 2 '3D 1H-15N NOESY' . . . 27605 2 3 '3D 1H-15N TOCSY' . . . 27605 2 4 '3D HNCA' . . . 27605 2 5 '3D HNCACB' . . . 27605 2 6 '3D HNCO' . . . 27605 2 7 '3D HNHB' . . . 27605 2 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 2 $CCPN_Analysis . . 27605 2 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 1 1 GLY H H 1 8.308 0.000 . 1 . . . . . 295 GLY H . 27605 2 2 . 1 1 1 1 GLY N N 15 117.954 0.000 . 1 . . . . . 295 GLY N . 27605 2 3 . 1 1 2 2 ALA H H 1 8.300 0.000 . 1 . . . . . 296 ALA H . 27605 2 4 . 1 1 2 2 ALA N N 15 123.029 0.000 . 1 . . . . . 296 ALA N . 27605 2 5 . 1 1 4 4 ALA H H 1 7.705 0.000 . 1 . . . . . 298 ALA H . 27605 2 6 . 1 1 4 4 ALA N N 15 122.859 0.000 . 1 . . . . . 298 ALA N . 27605 2 7 . 1 1 5 5 SER H H 1 8.072 0.000 . 1 . . . . . 299 SER H . 27605 2 8 . 1 1 5 5 SER N N 15 121.577 0.000 . 1 . . . . . 299 SER N . 27605 2 9 . 1 1 6 6 SER H H 1 8.229 0.000 . 1 . . . . . 300 SER H . 27605 2 10 . 1 1 6 6 SER N N 15 118.746 0.000 . 1 . . . . . 300 SER N . 27605 2 11 . 1 1 7 7 PRO HA H 1 4.529 0.005 . 1 . . . . . 301 PRO HA . 27605 2 12 . 1 1 7 7 PRO HB2 H 1 2.286 0.005 . 1 . . . . . 301 PRO HB2 . 27605 2 13 . 1 1 7 7 PRO C C 13 173.808 0.000 . 1 . . . . . 301 PRO C . 27605 2 14 . 1 1 7 7 PRO CA C 13 63.449 0.048 . 1 . . . . . 301 PRO CA . 27605 2 15 . 1 1 7 7 PRO CB C 13 32.346 0.054 . 1 . . . . . 301 PRO CB . 27605 2 16 . 1 1 7 7 PRO N N 15 119.849 0.000 . 1 . . . . . 301 PRO N . 27605 2 17 . 1 1 8 8 VAL H H 1 8.175 0.003 . 1 . . . . . 302 VAL H . 27605 2 18 . 1 1 8 8 VAL HA H 1 4.132 0.000 . 1 . . . . . 302 VAL HA . 27605 2 19 . 1 1 8 8 VAL HB H 1 2.071 0.000 . 1 . . . . . 302 VAL HB . 27605 2 20 . 1 1 8 8 VAL HG11 H 1 0.999 0.000 . 1 . . . . . 302 VAL HG11 . 27605 2 21 . 1 1 8 8 VAL HG12 H 1 0.999 0.000 . 1 . . . . . 302 VAL HG12 . 27605 2 22 . 1 1 8 8 VAL HG13 H 1 0.999 0.000 . 1 . . . . . 302 VAL HG13 . 27605 2 23 . 1 1 8 8 VAL HG21 H 1 0.985 0.013 . 1 . . . . . 302 VAL HG21 . 27605 2 24 . 1 1 8 8 VAL HG22 H 1 0.985 0.013 . 1 . . . . . 302 VAL HG22 . 27605 2 25 . 1 1 8 8 VAL HG23 H 1 0.985 0.013 . 1 . . . . . 302 VAL HG23 . 27605 2 26 . 1 1 8 8 VAL C C 13 174.573 0.000 . 1 . . . . . 302 VAL C . 27605 2 27 . 1 1 8 8 VAL CA C 13 62.527 0.000 . 1 . . . . . 302 VAL CA . 27605 2 28 . 1 1 8 8 VAL CB C 13 33.051 0.000 . 1 . . . . . 302 VAL CB . 27605 2 29 . 1 1 8 8 VAL N N 15 120.022 0.040 . 1 . . . . . 302 VAL N . 27605 2 30 . 1 1 9 9 LEU H H 1 8.563 0.005 . 1 . . . . . 303 LEU H . 27605 2 31 . 1 1 9 9 LEU HA H 1 4.103 0.000 . 1 . . . . . 303 LEU HA . 27605 2 32 . 1 1 9 9 LEU C C 13 174.821 0.000 . 1 . . . . . 303 LEU C . 27605 2 33 . 1 1 9 9 LEU CA C 13 58.014 0.000 . 1 . . . . . 303 LEU CA . 27605 2 34 . 1 1 9 9 LEU N N 15 126.636 0.062 . 1 . . . . . 303 LEU N . 27605 2 35 . 1 1 10 10 SER H H 1 8.252 0.002 . 1 . . . . . 304 SER H . 27605 2 36 . 1 1 10 10 SER HA H 1 4.327 0.003 . 1 . . . . . 304 SER HA . 27605 2 37 . 1 1 10 10 SER HB2 H 1 4.150 0.000 . 1 . . . . . 304 SER HB2 . 27605 2 38 . 1 1 10 10 SER HB3 H 1 3.962 0.000 . 1 . . . . . 304 SER HB3 . 27605 2 39 . 1 1 10 10 SER C C 13 172.564 0.000 . 1 . . . . . 304 SER C . 27605 2 40 . 1 1 10 10 SER CA C 13 58.921 0.054 . 1 . . . . . 304 SER CA . 27605 2 41 . 1 1 10 10 SER CB C 13 63.864 0.040 . 1 . . . . . 304 SER CB . 27605 2 42 . 1 1 10 10 SER N N 15 117.005 0.047 . 1 . . . . . 304 SER N . 27605 2 43 . 1 1 11 11 GLU H H 1 8.532 0.003 . 1 . . . . . 305 GLU H . 27605 2 44 . 1 1 11 11 GLU CA C 13 59.537 0.000 . 1 . . . . . 305 GLU CA . 27605 2 45 . 1 1 11 11 GLU N N 15 122.858 0.091 . 1 . . . . . 305 GLU N . 27605 2 46 . 1 1 12 12 LEU H H 1 8.212 0.003 . 1 . . . . . 306 LEU H . 27605 2 47 . 1 1 12 12 LEU C C 13 176.501 0.000 . 1 . . . . . 306 LEU C . 27605 2 48 . 1 1 12 12 LEU N N 15 120.824 0.000 . 1 . . . . . 306 LEU N . 27605 2 49 . 1 1 13 13 LYS H H 1 7.877 0.003 . 1 . . . . . 307 LYS H . 27605 2 50 . 1 1 13 13 LYS HA H 1 4.113 0.049 . 1 . . . . . 307 LYS HA . 27605 2 51 . 1 1 13 13 LYS HB2 H 1 1.936 0.003 . 1 . . . . . 307 LYS HB2 . 27605 2 52 . 1 1 13 13 LYS HB3 H 1 1.936 0.003 . 1 . . . . . 307 LYS HB3 . 27605 2 53 . 1 1 13 13 LYS C C 13 176.383 0.000 . 1 . . . . . 307 LYS C . 27605 2 54 . 1 1 13 13 LYS CA C 13 58.411 0.000 . 1 . . . . . 307 LYS CA . 27605 2 55 . 1 1 13 13 LYS N N 15 120.536 0.046 . 1 . . . . . 307 LYS N . 27605 2 56 . 1 1 14 14 LEU H H 1 8.079 0.002 . 1 . . . . . 308 LEU H . 27605 2 57 . 1 1 14 14 LEU HA H 1 4.085 0.017 . 1 . . . . . 308 LEU HA . 27605 2 58 . 1 1 14 14 LEU HB2 H 1 1.799 0.012 . 1 . . . . . 308 LEU HB2 . 27605 2 59 . 1 1 14 14 LEU HB3 H 1 1.637 0.011 . 1 . . . . . 308 LEU HB3 . 27605 2 60 . 1 1 14 14 LEU HD11 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD11 . 27605 2 61 . 1 1 14 14 LEU HD12 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD12 . 27605 2 62 . 1 1 14 14 LEU HD13 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD13 . 27605 2 63 . 1 1 14 14 LEU HD21 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD21 . 27605 2 64 . 1 1 14 14 LEU HD22 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD22 . 27605 2 65 . 1 1 14 14 LEU HD23 H 1 0.903 0.005 . 1 . . . . . 308 LEU HD23 . 27605 2 66 . 1 1 14 14 LEU C C 13 176.831 0.000 . 1 . . . . . 308 LEU C . 27605 2 67 . 1 1 14 14 LEU N N 15 119.856 0.031 . 1 . . . . . 308 LEU N . 27605 2 68 . 1 1 15 15 LYS H H 1 7.901 0.003 . 1 . . . . . 309 LYS H . 27605 2 69 . 1 1 15 15 LYS HA H 1 4.169 0.014 . 1 . . . . . 309 LYS HA . 27605 2 70 . 1 1 15 15 LYS HB2 H 1 1.993 0.005 . 1 . . . . . 309 LYS HB2 . 27605 2 71 . 1 1 15 15 LYS HB3 H 1 1.993 0.005 . 1 . . . . . 309 LYS HB3 . 27605 2 72 . 1 1 15 15 LYS C C 13 175.602 0.000 . 1 . . . . . 309 LYS C . 27605 2 73 . 1 1 15 15 LYS CA C 13 58.700 0.000 . 1 . . . . . 309 LYS CA . 27605 2 74 . 1 1 15 15 LYS N N 15 120.977 0.030 . 1 . . . . . 309 LYS N . 27605 2 75 . 1 1 16 16 GLU H H 1 8.220 0.002 . 1 . . . . . 310 GLU H . 27605 2 76 . 1 1 16 16 GLU HA H 1 3.844 0.003 . 1 . . . . . 310 GLU HA . 27605 2 77 . 1 1 16 16 GLU HB2 H 1 2.020 0.005 . 1 . . . . . 310 GLU HB2 . 27605 2 78 . 1 1 16 16 GLU HB3 H 1 2.020 0.005 . 1 . . . . . 310 GLU HB3 . 27605 2 79 . 1 1 16 16 GLU HG2 H 1 2.322 0.000 . 1 . . . . . 310 GLU HG2 . 27605 2 80 . 1 1 16 16 GLU HG3 H 1 2.153 0.000 . 1 . . . . . 310 GLU HG3 . 27605 2 81 . 1 1 16 16 GLU C C 13 176.493 0.000 . 1 . . . . . 310 GLU C . 27605 2 82 . 1 1 16 16 GLU N N 15 120.719 0.036 . 1 . . . . . 310 GLU N . 27605 2 83 . 1 1 17 17 ILE H H 1 8.066 0.003 . 1 . . . . . 311 ILE H . 27605 2 84 . 1 1 17 17 ILE HA H 1 3.825 0.009 . 1 . . . . . 311 ILE HA . 27605 2 85 . 1 1 17 17 ILE HB H 1 1.975 0.005 . 1 . . . . . 311 ILE HB . 27605 2 86 . 1 1 17 17 ILE HG12 H 1 1.242 0.003 . 1 . . . . . 311 ILE HG12 . 27605 2 87 . 1 1 17 17 ILE HG13 H 1 1.242 0.003 . 1 . . . . . 311 ILE HG13 . 27605 2 88 . 1 1 17 17 ILE HG21 H 1 0.980 0.007 . 1 . . . . . 311 ILE HG21 . 27605 2 89 . 1 1 17 17 ILE HG22 H 1 0.980 0.007 . 1 . . . . . 311 ILE HG22 . 27605 2 90 . 1 1 17 17 ILE HG23 H 1 0.980 0.007 . 1 . . . . . 311 ILE HG23 . 27605 2 91 . 1 1 17 17 ILE HD11 H 1 0.885 0.005 . 1 . . . . . 311 ILE HD11 . 27605 2 92 . 1 1 17 17 ILE HD12 H 1 0.885 0.005 . 1 . . . . . 311 ILE HD12 . 27605 2 93 . 1 1 17 17 ILE HD13 H 1 0.885 0.005 . 1 . . . . . 311 ILE HD13 . 27605 2 94 . 1 1 17 17 ILE C C 13 175.928 0.000 . 1 . . . . . 311 ILE C . 27605 2 95 . 1 1 17 17 ILE CA C 13 60.251 0.000 . 1 . . . . . 311 ILE CA . 27605 2 96 . 1 1 17 17 ILE CB C 13 38.407 0.000 . 1 . . . . . 311 ILE CB . 27605 2 97 . 1 1 17 17 ILE CG1 C 13 29.371 0.000 . 1 . . . . . 311 ILE CG1 . 27605 2 98 . 1 1 17 17 ILE CG2 C 13 17.309 0.000 . 1 . . . . . 311 ILE CG2 . 27605 2 99 . 1 1 17 17 ILE CD1 C 13 13.681 0.041 . 1 . . . . . 311 ILE CD1 . 27605 2 100 . 1 1 17 17 ILE N N 15 120.827 0.017 . 1 . . . . . 311 ILE N . 27605 2 101 . 1 1 18 18 GLN H H 1 8.249 0.002 . 1 . . . . . 312 GLN H . 27605 2 102 . 1 1 18 18 GLN HA H 1 4.081 0.003 . 1 . . . . . 312 GLN HA . 27605 2 103 . 1 1 18 18 GLN HB2 H 1 2.336 0.001 . 1 . . . . . 312 GLN HB2 . 27605 2 104 . 1 1 18 18 GLN HB3 H 1 2.195 0.006 . 1 . . . . . 312 GLN HB3 . 27605 2 105 . 1 1 18 18 GLN HG2 H 1 2.640 0.000 . 1 . . . . . 312 GLN HG2 . 27605 2 106 . 1 1 18 18 GLN HG3 H 1 2.640 0.000 . 1 . . . . . 312 GLN HG3 . 27605 2 107 . 1 1 18 18 GLN HE21 H 1 7.518 0.000 . 1 . . . . . 312 GLN HE21 . 27605 2 108 . 1 1 18 18 GLN HE22 H 1 6.879 0.002 . 1 . . . . . 312 GLN HE22 . 27605 2 109 . 1 1 18 18 GLN C C 13 177.465 0.000 . 1 . . . . . 312 GLN C . 27605 2 110 . 1 1 18 18 GLN CD C 13 177.549 0.000 . 1 . . . . . 312 GLN CD . 27605 2 111 . 1 1 18 18 GLN N N 15 121.367 0.056 . 1 . . . . . 312 GLN N . 27605 2 112 . 1 1 18 18 GLN NE2 N 15 111.957 0.151 . 1 . . . . . 312 GLN NE2 . 27605 2 113 . 1 1 19 19 LEU H H 1 8.489 0.006 . 1 . . . . . 313 LEU H . 27605 2 114 . 1 1 19 19 LEU HA H 1 4.073 0.029 . 1 . . . . . 313 LEU HA . 27605 2 115 . 1 1 19 19 LEU HB2 H 1 2.026 0.011 . 1 . . . . . 313 LEU HB2 . 27605 2 116 . 1 1 19 19 LEU HB3 H 1 2.026 0.011 . 1 . . . . . 313 LEU HB3 . 27605 2 117 . 1 1 19 19 LEU HD11 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD11 . 27605 2 118 . 1 1 19 19 LEU HD12 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD12 . 27605 2 119 . 1 1 19 19 LEU HD13 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD13 . 27605 2 120 . 1 1 19 19 LEU HD21 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD21 . 27605 2 121 . 1 1 19 19 LEU HD22 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD22 . 27605 2 122 . 1 1 19 19 LEU HD23 H 1 0.876 0.002 . 1 . . . . . 313 LEU HD23 . 27605 2 123 . 1 1 19 19 LEU C C 13 176.305 0.000 . 1 . . . . . 313 LEU C . 27605 2 124 . 1 1 19 19 LEU N N 15 120.436 0.035 . 1 . . . . . 313 LEU N . 27605 2 125 . 1 1 20 20 GLN H H 1 8.200 0.003 . 1 . . . . . 314 GLN H . 27605 2 126 . 1 1 20 20 GLN HA H 1 4.216 0.000 . 1 . . . . . 314 GLN HA . 27605 2 127 . 1 1 20 20 GLN HB2 H 1 2.182 0.002 . 1 . . . . . 314 GLN HB2 . 27605 2 128 . 1 1 20 20 GLN HB3 H 1 2.182 0.002 . 1 . . . . . 314 GLN HB3 . 27605 2 129 . 1 1 20 20 GLN HG2 H 1 2.638 0.006 . 1 . . . . . 314 GLN HG2 . 27605 2 130 . 1 1 20 20 GLN HG3 H 1 2.638 0.006 . 1 . . . . . 314 GLN HG3 . 27605 2 131 . 1 1 20 20 GLN HE21 H 1 7.521 0.002 . 1 . . . . . 314 GLN HE21 . 27605 2 132 . 1 1 20 20 GLN HE22 H 1 6.779 0.002 . 1 . . . . . 314 GLN HE22 . 27605 2 133 . 1 1 20 20 GLN C C 13 176.946 0.000 . 1 . . . . . 314 GLN C . 27605 2 134 . 1 1 20 20 GLN CD C 13 177.471 0.000 . 1 . . . . . 314 GLN CD . 27605 2 135 . 1 1 20 20 GLN N N 15 121.631 0.012 . 1 . . . . . 314 GLN N . 27605 2 136 . 1 1 20 20 GLN NE2 N 15 111.510 0.169 . 1 . . . . . 314 GLN NE2 . 27605 2 137 . 1 1 21 21 GLU H H 1 8.378 0.005 . 1 . . . . . 315 GLU H . 27605 2 138 . 1 1 21 21 GLU HA H 1 4.098 0.045 . 1 . . . . . 315 GLU HA . 27605 2 139 . 1 1 21 21 GLU HB2 H 1 2.114 0.003 . 1 . . . . . 315 GLU HB2 . 27605 2 140 . 1 1 21 21 GLU HB3 H 1 2.114 0.003 . 1 . . . . . 315 GLU HB3 . 27605 2 141 . 1 1 21 21 GLU C C 13 176.940 0.000 . 1 . . . . . 315 GLU C . 27605 2 142 . 1 1 21 21 GLU N N 15 121.346 0.041 . 1 . . . . . 315 GLU N . 27605 2 143 . 1 1 22 22 ARG H H 1 8.237 0.003 . 1 . . . . . 316 ARG H . 27605 2 144 . 1 1 22 22 ARG HA H 1 4.145 0.016 . 1 . . . . . 316 ARG HA . 27605 2 145 . 1 1 22 22 ARG HB2 H 1 2.094 0.007 . 1 . . . . . 316 ARG HB2 . 27605 2 146 . 1 1 22 22 ARG HB3 H 1 2.094 0.007 . 1 . . . . . 316 ARG HB3 . 27605 2 147 . 1 1 22 22 ARG C C 13 176.896 0.000 . 1 . . . . . 316 ARG C . 27605 2 148 . 1 1 22 22 ARG N N 15 122.360 0.027 . 1 . . . . . 316 ARG N . 27605 2 149 . 1 1 23 23 GLU H H 1 8.769 0.002 . 1 . . . . . 317 GLU H . 27605 2 150 . 1 1 23 23 GLU HA H 1 3.876 0.007 . 1 . . . . . 317 GLU HA . 27605 2 151 . 1 1 23 23 GLU HB2 H 1 2.129 0.002 . 1 . . . . . 317 GLU HB2 . 27605 2 152 . 1 1 23 23 GLU HB3 H 1 2.129 0.002 . 1 . . . . . 317 GLU HB3 . 27605 2 153 . 1 1 23 23 GLU HG2 H 1 2.302 0.000 . 1 . . . . . 317 GLU HG2 . 27605 2 154 . 1 1 23 23 GLU HG3 H 1 2.302 0.000 . 1 . . . . . 317 GLU HG3 . 27605 2 155 . 1 1 23 23 GLU C C 13 175.789 0.000 . 1 . . . . . 317 GLU C . 27605 2 156 . 1 1 23 23 GLU N N 15 122.043 0.019 . 1 . . . . . 317 GLU N . 27605 2 157 . 1 1 24 24 ARG H H 1 8.081 0.003 . 1 . . . . . 318 ARG H . 27605 2 158 . 1 1 24 24 ARG HA H 1 4.056 0.004 . 1 . . . . . 318 ARG HA . 27605 2 159 . 1 1 24 24 ARG HB2 H 1 1.996 0.002 . 1 . . . . . 318 ARG HB2 . 27605 2 160 . 1 1 24 24 ARG HB3 H 1 1.996 0.002 . 1 . . . . . 318 ARG HB3 . 27605 2 161 . 1 1 24 24 ARG C C 13 176.867 0.000 . 1 . . . . . 318 ARG C . 27605 2 162 . 1 1 24 24 ARG N N 15 120.822 0.026 . 1 . . . . . 318 ARG N . 27605 2 163 . 1 1 25 25 ALA H H 1 8.028 0.005 . 1 . . . . . 319 ALA H . 27605 2 164 . 1 1 25 25 ALA HA H 1 4.216 0.001 . 1 . . . . . 319 ALA HA . 27605 2 165 . 1 1 25 25 ALA HB1 H 1 1.558 0.005 . 1 . . . . . 319 ALA HB1 . 27605 2 166 . 1 1 25 25 ALA HB2 H 1 1.558 0.005 . 1 . . . . . 319 ALA HB2 . 27605 2 167 . 1 1 25 25 ALA HB3 H 1 1.558 0.005 . 1 . . . . . 319 ALA HB3 . 27605 2 168 . 1 1 25 25 ALA C C 13 178.185 0.000 . 1 . . . . . 319 ALA C . 27605 2 169 . 1 1 25 25 ALA CA C 13 55.146 0.017 . 1 . . . . . 319 ALA CA . 27605 2 170 . 1 1 25 25 ALA CB C 13 18.144 0.021 . 1 . . . . . 319 ALA CB . 27605 2 171 . 1 1 25 25 ALA N N 15 123.335 0.043 . 1 . . . . . 319 ALA N . 27605 2 172 . 1 1 26 26 LEU H H 1 8.167 0.003 . 1 . . . . . 320 LEU H . 27605 2 173 . 1 1 26 26 LEU HA H 1 4.069 0.005 . 1 . . . . . 320 LEU HA . 27605 2 174 . 1 1 26 26 LEU HB2 H 1 1.699 0.011 . 1 . . . . . 320 LEU HB2 . 27605 2 175 . 1 1 26 26 LEU HB3 H 1 1.699 0.011 . 1 . . . . . 320 LEU HB3 . 27605 2 176 . 1 1 26 26 LEU HD11 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD11 . 27605 2 177 . 1 1 26 26 LEU HD12 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD12 . 27605 2 178 . 1 1 26 26 LEU HD13 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD13 . 27605 2 179 . 1 1 26 26 LEU HD21 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD21 . 27605 2 180 . 1 1 26 26 LEU HD22 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD22 . 27605 2 181 . 1 1 26 26 LEU HD23 H 1 0.923 0.002 . 1 . . . . . 320 LEU HD23 . 27605 2 182 . 1 1 26 26 LEU C C 13 175.844 0.000 . 1 . . . . . 320 LEU C . 27605 2 183 . 1 1 26 26 LEU CA C 13 58.139 0.000 . 1 . . . . . 320 LEU CA . 27605 2 184 . 1 1 26 26 LEU CB C 13 41.958 0.000 . 1 . . . . . 320 LEU CB . 27605 2 185 . 1 1 26 26 LEU N N 15 121.444 0.023 . 1 . . . . . 320 LEU N . 27605 2 186 . 1 1 27 27 LYS H H 1 8.287 0.003 . 1 . . . . . 321 LYS H . 27605 2 187 . 1 1 27 27 LYS HA H 1 4.235 0.007 . 1 . . . . . 321 LYS HA . 27605 2 188 . 1 1 27 27 LYS HB2 H 1 2.013 0.006 . 1 . . . . . 321 LYS HB2 . 27605 2 189 . 1 1 27 27 LYS HB3 H 1 2.013 0.006 . 1 . . . . . 321 LYS HB3 . 27605 2 190 . 1 1 27 27 LYS C C 13 176.185 0.000 . 1 . . . . . 321 LYS C . 27605 2 191 . 1 1 27 27 LYS N N 15 121.152 0.014 . 1 . . . . . 321 LYS N . 27605 2 192 . 1 1 28 28 ALA H H 1 7.580 0.005 . 1 . . . . . 322 ALA H . 27605 2 193 . 1 1 28 28 ALA HA H 1 4.243 0.012 . 1 . . . . . 322 ALA HA . 27605 2 194 . 1 1 28 28 ALA HB1 H 1 1.549 0.008 . 1 . . . . . 322 ALA HB1 . 27605 2 195 . 1 1 28 28 ALA HB2 H 1 1.549 0.008 . 1 . . . . . 322 ALA HB2 . 27605 2 196 . 1 1 28 28 ALA HB3 H 1 1.549 0.008 . 1 . . . . . 322 ALA HB3 . 27605 2 197 . 1 1 28 28 ALA C C 13 178.314 0.000 . 1 . . . . . 322 ALA C . 27605 2 198 . 1 1 28 28 ALA CA C 13 55.175 0.000 . 1 . . . . . 322 ALA CA . 27605 2 199 . 1 1 28 28 ALA CB C 13 17.974 0.000 . 1 . . . . . 322 ALA CB . 27605 2 200 . 1 1 28 28 ALA N N 15 120.459 0.053 . 1 . . . . . 322 ALA N . 27605 2 201 . 1 1 29 29 ARG H H 1 7.793 0.005 . 1 . . . . . 323 ARG H . 27605 2 202 . 1 1 29 29 ARG HA H 1 4.092 0.011 . 1 . . . . . 323 ARG HA . 27605 2 203 . 1 1 29 29 ARG HB2 H 1 2.174 0.010 . 1 . . . . . 323 ARG HB2 . 27605 2 204 . 1 1 29 29 ARG HB3 H 1 2.174 0.010 . 1 . . . . . 323 ARG HB3 . 27605 2 205 . 1 1 29 29 ARG C C 13 177.030 0.000 . 1 . . . . . 323 ARG C . 27605 2 206 . 1 1 29 29 ARG N N 15 120.480 0.022 . 1 . . . . . 323 ARG N . 27605 2 207 . 1 1 30 30 GLU H H 1 8.996 0.003 . 1 . . . . . 324 GLU H . 27605 2 208 . 1 1 30 30 GLU HA H 1 3.918 0.002 . 1 . . . . . 324 GLU HA . 27605 2 209 . 1 1 30 30 GLU HB2 H 1 2.070 0.007 . 1 . . . . . 324 GLU HB2 . 27605 2 210 . 1 1 30 30 GLU HB3 H 1 2.070 0.007 . 1 . . . . . 324 GLU HB3 . 27605 2 211 . 1 1 30 30 GLU HG2 H 1 2.548 0.000 . 1 . . . . . 324 GLU HG2 . 27605 2 212 . 1 1 30 30 GLU HG3 H 1 2.548 0.000 . 1 . . . . . 324 GLU HG3 . 27605 2 213 . 1 1 30 30 GLU C C 13 177.010 0.000 . 1 . . . . . 324 GLU C . 27605 2 214 . 1 1 30 30 GLU CA C 13 60.030 0.000 . 1 . . . . . 324 GLU CA . 27605 2 215 . 1 1 30 30 GLU CB C 13 29.692 0.000 . 1 . . . . . 324 GLU CB . 27605 2 216 . 1 1 30 30 GLU N N 15 123.278 0.025 . 1 . . . . . 324 GLU N . 27605 2 217 . 1 1 31 31 GLU H H 1 8.413 0.005 . 1 . . . . . 325 GLU H . 27605 2 218 . 1 1 31 31 GLU HA H 1 4.107 0.010 . 1 . . . . . 325 GLU HA . 27605 2 219 . 1 1 31 31 GLU HB2 H 1 2.082 0.003 . 1 . . . . . 325 GLU HB2 . 27605 2 220 . 1 1 31 31 GLU HB3 H 1 2.082 0.003 . 1 . . . . . 325 GLU HB3 . 27605 2 221 . 1 1 31 31 GLU HG2 H 1 2.569 0.000 . 1 . . . . . 325 GLU HG2 . 27605 2 222 . 1 1 31 31 GLU HG3 H 1 2.569 0.000 . 1 . . . . . 325 GLU HG3 . 27605 2 223 . 1 1 31 31 GLU C C 13 176.915 0.000 . 1 . . . . . 325 GLU C . 27605 2 224 . 1 1 31 31 GLU N N 15 120.945 0.018 . 1 . . . . . 325 GLU N . 27605 2 225 . 1 1 32 32 ARG H H 1 7.916 0.004 . 1 . . . . . 326 ARG H . 27605 2 226 . 1 1 32 32 ARG HA H 1 4.171 0.000 . 1 . . . . . 326 ARG HA . 27605 2 227 . 1 1 32 32 ARG HB2 H 1 1.994 0.004 . 1 . . . . . 326 ARG HB2 . 27605 2 228 . 1 1 32 32 ARG HB3 H 1 1.994 0.004 . 1 . . . . . 326 ARG HB3 . 27605 2 229 . 1 1 32 32 ARG C C 13 176.311 0.000 . 1 . . . . . 326 ARG C . 27605 2 230 . 1 1 32 32 ARG N N 15 120.720 0.029 . 1 . . . . . 326 ARG N . 27605 2 231 . 1 1 33 33 LEU H H 1 8.017 0.004 . 1 . . . . . 327 LEU H . 27605 2 232 . 1 1 33 33 LEU HA H 1 3.911 0.004 . 1 . . . . . 327 LEU HA . 27605 2 233 . 1 1 33 33 LEU HB2 H 1 1.843 0.017 . 1 . . . . . 327 LEU HB2 . 27605 2 234 . 1 1 33 33 LEU HB3 H 1 1.843 0.017 . 1 . . . . . 327 LEU HB3 . 27605 2 235 . 1 1 33 33 LEU HD11 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD11 . 27605 2 236 . 1 1 33 33 LEU HD12 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD12 . 27605 2 237 . 1 1 33 33 LEU HD13 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD13 . 27605 2 238 . 1 1 33 33 LEU HD21 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD21 . 27605 2 239 . 1 1 33 33 LEU HD22 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD22 . 27605 2 240 . 1 1 33 33 LEU HD23 H 1 0.956 0.003 . 1 . . . . . 327 LEU HD23 . 27605 2 241 . 1 1 33 33 LEU C C 13 175.964 0.000 . 1 . . . . . 327 LEU C . 27605 2 242 . 1 1 33 33 LEU N N 15 121.859 0.057 . 1 . . . . . 327 LEU N . 27605 2 243 . 1 1 34 34 GLU H H 1 7.997 0.007 . 1 . . . . . 328 GLU H . 27605 2 244 . 1 1 34 34 GLU HA H 1 4.144 0.002 . 1 . . . . . 328 GLU HA . 27605 2 245 . 1 1 34 34 GLU HB2 H 1 2.141 0.006 . 1 . . . . . 328 GLU HB2 . 27605 2 246 . 1 1 34 34 GLU HB3 H 1 2.141 0.006 . 1 . . . . . 328 GLU HB3 . 27605 2 247 . 1 1 34 34 GLU HG2 H 1 2.446 0.000 . 1 . . . . . 328 GLU HG2 . 27605 2 248 . 1 1 34 34 GLU HG3 H 1 2.446 0.000 . 1 . . . . . 328 GLU HG3 . 27605 2 249 . 1 1 34 34 GLU C C 13 176.857 0.000 . 1 . . . . . 328 GLU C . 27605 2 250 . 1 1 34 34 GLU N N 15 120.143 0.028 . 1 . . . . . 328 GLU N . 27605 2 251 . 1 1 35 35 GLN H H 1 7.825 0.003 . 1 . . . . . 329 GLN H . 27605 2 252 . 1 1 35 35 GLN HA H 1 4.115 0.041 . 1 . . . . . 329 GLN HA . 27605 2 253 . 1 1 35 35 GLN HB2 H 1 2.230 0.014 . 1 . . . . . 329 GLN HB2 . 27605 2 254 . 1 1 35 35 GLN HB3 H 1 2.230 0.014 . 1 . . . . . 329 GLN HB3 . 27605 2 255 . 1 1 35 35 GLN HG2 H 1 2.566 0.000 . 1 . . . . . 329 GLN HG2 . 27605 2 256 . 1 1 35 35 GLN HG3 H 1 2.438 0.000 . 1 . . . . . 329 GLN HG3 . 27605 2 257 . 1 1 35 35 GLN HE21 H 1 7.664 0.002 . 1 . . . . . 329 GLN HE21 . 27605 2 258 . 1 1 35 35 GLN HE22 H 1 6.809 0.000 . 1 . . . . . 329 GLN HE22 . 27605 2 259 . 1 1 35 35 GLN C C 13 176.218 0.000 . 1 . . . . . 329 GLN C . 27605 2 260 . 1 1 35 35 GLN CD C 13 177.591 0.000 . 1 . . . . . 329 GLN CD . 27605 2 261 . 1 1 35 35 GLN N N 15 119.433 0.023 . 1 . . . . . 329 GLN N . 27605 2 262 . 1 1 35 35 GLN NE2 N 15 112.717 0.167 . 1 . . . . . 329 GLN NE2 . 27605 2 263 . 1 1 36 36 LYS H H 1 8.259 0.002 . 1 . . . . . 330 LYS H . 27605 2 264 . 1 1 36 36 LYS HA H 1 4.138 0.000 . 1 . . . . . 330 LYS HA . 27605 2 265 . 1 1 36 36 LYS HB2 H 1 1.990 0.003 . 1 . . . . . 330 LYS HB2 . 27605 2 266 . 1 1 36 36 LYS HB3 H 1 1.990 0.003 . 1 . . . . . 330 LYS HB3 . 27605 2 267 . 1 1 36 36 LYS C C 13 176.681 0.000 . 1 . . . . . 330 LYS C . 27605 2 268 . 1 1 36 36 LYS CA C 13 59.123 0.000 . 1 . . . . . 330 LYS CA . 27605 2 269 . 1 1 36 36 LYS CB C 13 28.149 0.000 . 1 . . . . . 330 LYS CB . 27605 2 270 . 1 1 36 36 LYS N N 15 121.623 0.050 . 1 . . . . . 330 LYS N . 27605 2 271 . 1 1 37 37 GLU H H 1 8.725 0.003 . 1 . . . . . 331 GLU H . 27605 2 272 . 1 1 37 37 GLU HA H 1 3.895 0.012 . 1 . . . . . 331 GLU HA . 27605 2 273 . 1 1 37 37 GLU HB2 H 1 2.151 0.001 . 1 . . . . . 331 GLU HB2 . 27605 2 274 . 1 1 37 37 GLU HB3 H 1 2.151 0.001 . 1 . . . . . 331 GLU HB3 . 27605 2 275 . 1 1 37 37 GLU HG2 H 1 2.376 0.000 . 1 . . . . . 331 GLU HG2 . 27605 2 276 . 1 1 37 37 GLU HG3 H 1 2.376 0.000 . 1 . . . . . 331 GLU HG3 . 27605 2 277 . 1 1 37 37 GLU C C 13 176.552 0.000 . 1 . . . . . 331 GLU C . 27605 2 278 . 1 1 37 37 GLU CA C 13 60.427 0.000 . 1 . . . . . 331 GLU CA . 27605 2 279 . 1 1 37 37 GLU CB C 13 29.628 0.000 . 1 . . . . . 331 GLU CB . 27605 2 280 . 1 1 37 37 GLU N N 15 120.966 0.045 . 1 . . . . . 331 GLU N . 27605 2 281 . 1 1 38 38 GLN H H 1 7.887 0.003 . 1 . . . . . 332 GLN H . 27605 2 282 . 1 1 38 38 GLN HA H 1 4.142 0.027 . 1 . . . . . 332 GLN HA . 27605 2 283 . 1 1 38 38 GLN HB2 H 1 2.233 0.008 . 1 . . . . . 332 GLN HB2 . 27605 2 284 . 1 1 38 38 GLN HB3 H 1 2.233 0.008 . 1 . . . . . 332 GLN HB3 . 27605 2 285 . 1 1 38 38 GLN HG2 H 1 2.601 0.000 . 1 . . . . . 332 GLN HG2 . 27605 2 286 . 1 1 38 38 GLN HG3 H 1 2.501 0.000 . 1 . . . . . 332 GLN HG3 . 27605 2 287 . 1 1 38 38 GLN HE21 H 1 7.522 0.008 . 1 . . . . . 332 GLN HE21 . 27605 2 288 . 1 1 38 38 GLN HE22 H 1 6.823 0.004 . 1 . . . . . 332 GLN HE22 . 27605 2 289 . 1 1 38 38 GLN C C 13 176.426 0.000 . 1 . . . . . 332 GLN C . 27605 2 290 . 1 1 38 38 GLN CA C 13 58.974 0.000 . 1 . . . . . 332 GLN CA . 27605 2 291 . 1 1 38 38 GLN CB C 13 28.114 0.033 . 1 . . . . . 332 GLN CB . 27605 2 292 . 1 1 38 38 GLN CG C 13 33.865 0.033 . 1 . . . . . 332 GLN CG . 27605 2 293 . 1 1 38 38 GLN CD C 13 177.599 0.000 . 1 . . . . . 332 GLN CD . 27605 2 294 . 1 1 38 38 GLN N N 15 119.430 0.030 . 1 . . . . . 332 GLN N . 27605 2 295 . 1 1 38 38 GLN NE2 N 15 112.331 0.196 . 1 . . . . . 332 GLN NE2 . 27605 2 296 . 1 1 39 39 GLU H H 1 8.046 0.004 . 1 . . . . . 333 GLU H . 27605 2 297 . 1 1 39 39 GLU HA H 1 4.064 0.000 . 1 . . . . . 333 GLU HA . 27605 2 298 . 1 1 39 39 GLU HB2 H 1 2.139 0.001 . 1 . . . . . 333 GLU HB2 . 27605 2 299 . 1 1 39 39 GLU HB3 H 1 2.139 0.001 . 1 . . . . . 333 GLU HB3 . 27605 2 300 . 1 1 39 39 GLU HG2 H 1 2.528 0.000 . 1 . . . . . 333 GLU HG2 . 27605 2 301 . 1 1 39 39 GLU HG3 H 1 2.528 0.000 . 1 . . . . . 333 GLU HG3 . 27605 2 302 . 1 1 39 39 GLU C C 13 176.836 0.000 . 1 . . . . . 333 GLU C . 27605 2 303 . 1 1 39 39 GLU N N 15 120.643 0.016 . 1 . . . . . 333 GLU N . 27605 2 304 . 1 1 40 40 LEU H H 1 8.200 0.003 . 1 . . . . . 334 LEU H . 27605 2 305 . 1 1 40 40 LEU HA H 1 4.080 0.011 . 1 . . . . . 334 LEU HA . 27605 2 306 . 1 1 40 40 LEU HB2 H 1 1.653 0.001 . 1 . . . . . 334 LEU HB2 . 27605 2 307 . 1 1 40 40 LEU HB3 H 1 1.653 0.001 . 1 . . . . . 334 LEU HB3 . 27605 2 308 . 1 1 40 40 LEU HD11 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD11 . 27605 2 309 . 1 1 40 40 LEU HD12 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD12 . 27605 2 310 . 1 1 40 40 LEU HD13 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD13 . 27605 2 311 . 1 1 40 40 LEU HD21 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD21 . 27605 2 312 . 1 1 40 40 LEU HD22 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD22 . 27605 2 313 . 1 1 40 40 LEU HD23 H 1 0.891 0.003 . 1 . . . . . 334 LEU HD23 . 27605 2 314 . 1 1 40 40 LEU C C 13 175.765 0.000 . 1 . . . . . 334 LEU C . 27605 2 315 . 1 1 40 40 LEU N N 15 120.797 0.012 . 1 . . . . . 334 LEU N . 27605 2 316 . 1 1 41 41 ALA H H 1 7.887 0.006 . 1 . . . . . 335 ALA H . 27605 2 317 . 1 1 41 41 ALA HA H 1 4.220 0.004 . 1 . . . . . 335 ALA HA . 27605 2 318 . 1 1 41 41 ALA HB1 H 1 1.541 0.004 . 1 . . . . . 335 ALA HB1 . 27605 2 319 . 1 1 41 41 ALA HB2 H 1 1.541 0.004 . 1 . . . . . 335 ALA HB2 . 27605 2 320 . 1 1 41 41 ALA HB3 H 1 1.541 0.004 . 1 . . . . . 335 ALA HB3 . 27605 2 321 . 1 1 41 41 ALA C C 13 177.377 0.000 . 1 . . . . . 335 ALA C . 27605 2 322 . 1 1 41 41 ALA CA C 13 54.846 0.000 . 1 . . . . . 335 ALA CA . 27605 2 323 . 1 1 41 41 ALA CB C 13 18.288 0.076 . 1 . . . . . 335 ALA CB . 27605 2 324 . 1 1 41 41 ALA N N 15 121.205 0.031 . 1 . . . . . 335 ALA N . 27605 2 325 . 1 1 42 42 VAL H H 1 7.325 0.005 . 1 . . . . . 336 VAL H . 27605 2 326 . 1 1 42 42 VAL HA H 1 4.023 0.020 . 1 . . . . . 336 VAL HA . 27605 2 327 . 1 1 42 42 VAL HB H 1 2.292 0.008 . 1 . . . . . 336 VAL HB . 27605 2 328 . 1 1 42 42 VAL HG11 H 1 1.059 0.026 . 1 . . . . . 336 VAL HG11 . 27605 2 329 . 1 1 42 42 VAL HG12 H 1 1.059 0.026 . 1 . . . . . 336 VAL HG12 . 27605 2 330 . 1 1 42 42 VAL HG13 H 1 1.059 0.026 . 1 . . . . . 336 VAL HG13 . 27605 2 331 . 1 1 42 42 VAL HG21 H 1 0.983 0.008 . 1 . . . . . 336 VAL HG21 . 27605 2 332 . 1 1 42 42 VAL HG22 H 1 0.983 0.008 . 1 . . . . . 336 VAL HG22 . 27605 2 333 . 1 1 42 42 VAL HG23 H 1 0.983 0.008 . 1 . . . . . 336 VAL HG23 . 27605 2 334 . 1 1 42 42 VAL C C 13 174.793 0.000 . 1 . . . . . 336 VAL C . 27605 2 335 . 1 1 42 42 VAL CA C 13 64.072 0.071 . 1 . . . . . 336 VAL CA . 27605 2 336 . 1 1 42 42 VAL CB C 13 32.245 0.000 . 1 . . . . . 336 VAL CB . 27605 2 337 . 1 1 42 42 VAL CG1 C 13 21.225 0.089 . 1 . . . . . 336 VAL CG1 . 27605 2 338 . 1 1 42 42 VAL N N 15 114.445 0.120 . 1 . . . . . 336 VAL N . 27605 2 339 . 1 1 43 43 ARG H H 1 7.673 0.002 . 1 . . . . . 337 ARG H . 27605 2 340 . 1 1 43 43 ARG HA H 1 4.169 0.000 . 1 . . . . . 337 ARG HA . 27605 2 341 . 1 1 43 43 ARG HB2 H 1 2.018 0.005 . 1 . . . . . 337 ARG HB2 . 27605 2 342 . 1 1 43 43 ARG HB3 H 1 2.018 0.005 . 1 . . . . . 337 ARG HB3 . 27605 2 343 . 1 1 43 43 ARG C C 13 175.174 0.000 . 1 . . . . . 337 ARG C . 27605 2 344 . 1 1 43 43 ARG N N 15 122.010 0.041 . 1 . . . . . 337 ARG N . 27605 2 345 . 1 1 44 44 GLU H H 1 8.541 0.003 . 1 . . . . . 338 GLU H . 27605 2 346 . 1 1 44 44 GLU HA H 1 4.178 0.001 . 1 . . . . . 338 GLU HA . 27605 2 347 . 1 1 44 44 GLU HB2 H 1 2.066 0.008 . 1 . . . . . 338 GLU HB2 . 27605 2 348 . 1 1 44 44 GLU HB3 H 1 2.066 0.008 . 1 . . . . . 338 GLU HB3 . 27605 2 349 . 1 1 44 44 GLU HG2 H 1 2.396 0.000 . 1 . . . . . 338 GLU HG2 . 27605 2 350 . 1 1 44 44 GLU HG3 H 1 2.264 0.000 . 1 . . . . . 338 GLU HG3 . 27605 2 351 . 1 1 44 44 GLU C C 13 174.368 0.000 . 1 . . . . . 338 GLU C . 27605 2 352 . 1 1 44 44 GLU N N 15 121.549 0.057 . 1 . . . . . 338 GLU N . 27605 2 353 . 1 1 45 45 ARG H H 1 7.939 0.008 . 1 . . . . . 339 ARG H . 27605 2 354 . 1 1 45 45 ARG HA H 1 4.327 0.002 . 1 . . . . . 339 ARG HA . 27605 2 355 . 1 1 45 45 ARG HB2 H 1 1.958 0.004 . 1 . . . . . 339 ARG HB2 . 27605 2 356 . 1 1 45 45 ARG HB3 H 1 1.958 0.004 . 1 . . . . . 339 ARG HB3 . 27605 2 357 . 1 1 45 45 ARG C C 13 174.017 0.000 . 1 . . . . . 339 ARG C . 27605 2 358 . 1 1 45 45 ARG N N 15 120.528 0.079 . 1 . . . . . 339 ARG N . 27605 2 359 . 1 1 46 46 LEU H H 1 7.954 0.006 . 1 . . . . . 340 LEU H . 27605 2 360 . 1 1 46 46 LEU HA H 1 4.360 0.000 . 1 . . . . . 340 LEU HA . 27605 2 361 . 1 1 46 46 LEU HB2 H 1 1.737 0.012 . 1 . . . . . 340 LEU HB2 . 27605 2 362 . 1 1 46 46 LEU HB3 H 1 1.608 0.006 . 1 . . . . . 340 LEU HB3 . 27605 2 363 . 1 1 46 46 LEU HD11 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD11 . 27605 2 364 . 1 1 46 46 LEU HD12 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD12 . 27605 2 365 . 1 1 46 46 LEU HD13 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD13 . 27605 2 366 . 1 1 46 46 LEU HD21 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD21 . 27605 2 367 . 1 1 46 46 LEU HD22 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD22 . 27605 2 368 . 1 1 46 46 LEU HD23 H 1 0.903 0.006 . 1 . . . . . 340 LEU HD23 . 27605 2 369 . 1 1 46 46 LEU C C 13 174.330 0.000 . 1 . . . . . 340 LEU C . 27605 2 370 . 1 1 46 46 LEU N N 15 122.441 0.074 . 1 . . . . . 340 LEU N . 27605 2 371 . 1 1 47 47 ALA H H 1 8.204 0.018 . 1 . . . . . 341 ALA H . 27605 2 372 . 1 1 47 47 ALA HA H 1 4.466 0.003 . 1 . . . . . 341 ALA HA . 27605 2 373 . 1 1 47 47 ALA HB1 H 1 1.438 0.005 . 1 . . . . . 341 ALA HB1 . 27605 2 374 . 1 1 47 47 ALA HB2 H 1 1.438 0.005 . 1 . . . . . 341 ALA HB2 . 27605 2 375 . 1 1 47 47 ALA HB3 H 1 1.438 0.005 . 1 . . . . . 341 ALA HB3 . 27605 2 376 . 1 1 47 47 ALA C C 13 175.280 0.000 . 1 . . . . . 341 ALA C . 27605 2 377 . 1 1 47 47 ALA CA C 13 52.507 0.059 . 1 . . . . . 341 ALA CA . 27605 2 378 . 1 1 47 47 ALA CB C 13 19.609 0.035 . 1 . . . . . 341 ALA CB . 27605 2 379 . 1 1 47 47 ALA N N 15 123.687 0.040 . 1 . . . . . 341 ALA N . 27605 2 380 . 1 1 48 48 CYS H H 1 8.486 0.006 . 1 . . . . . 342 CYS H . 27605 2 381 . 1 1 48 48 CYS HA H 1 4.471 0.000 . 1 . . . . . 342 CYS HA . 27605 2 382 . 1 1 48 48 CYS HB2 H 1 3.348 0.004 . 1 . . . . . 342 CYS HB2 . 27605 2 383 . 1 1 48 48 CYS HB3 H 1 2.974 0.005 . 1 . . . . . 342 CYS HB3 . 27605 2 384 . 1 1 48 48 CYS C C 13 171.386 0.000 . 1 . . . . . 342 CYS C . 27605 2 385 . 1 1 48 48 CYS CB C 13 40.406 0.026 . 1 . . . . . 342 CYS CB . 27605 2 386 . 1 1 48 48 CYS N N 15 119.179 0.041 . 1 . . . . . 342 CYS N . 27605 2 387 . 1 1 49 49 ASP H H 1 8.031 0.004 . 1 . . . . . 343 ASP H . 27605 2 388 . 1 1 49 49 ASP HA H 1 4.413 0.000 . 1 . . . . . 343 ASP HA . 27605 2 389 . 1 1 49 49 ASP HB2 H 1 2.617 0.030 . 1 . . . . . 343 ASP HB2 . 27605 2 390 . 1 1 49 49 ASP HB3 H 1 2.679 0.009 . 1 . . . . . 343 ASP HB3 . 27605 2 391 . 1 1 49 49 ASP CA C 13 56.205 0.000 . 1 . . . . . 343 ASP CA . 27605 2 392 . 1 1 49 49 ASP CB C 13 42.341 0.007 . 1 . . . . . 343 ASP CB . 27605 2 393 . 1 1 49 49 ASP N N 15 127.763 0.048 . 1 . . . . . 343 ASP N . 27605 2 stop_ save_