data_18679 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18679 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, LmCsp with dT7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-27 _Entry.Accession_date 2012-08-27 _Entry.Last_release_date 2013-08-05 _Entry.Original_release_date 2013-08-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Juho Lee . . . 18679 2 Ki-Woong Jeong . . . 18679 3 Yangmee Kim . . . 18679 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18679 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Nucleic acids' . 18679 Protein . 18679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 18679 '15N chemical shifts' 73 18679 '1H chemical shifts' 387 18679 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-08-05 2012-08-27 original author . 18679 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18680 'cold shock protein, LmCsp' 18679 PDB 2LXJ 'BMRB Entry Tracking System' 18679 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18679 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23506337 _Citation.Full_citation . _Citation.Title 'Structural and Dynamic Features of Cold-Shock Proteins of Listeriamonocytogenes, a Psychrophilic Bacterium' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 52 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 2492 _Citation.Page_last 2504 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Juho Lee . . . 18679 1 2 Ki-Woong Jeong . . . 18679 1 3 Bonghwan Jin . . . 18679 1 4 Kyoung-Seok Ryu . . . 18679 1 5 Eun-Hee Kim . . . 18679 1 6 Joong-Hoon Ahn . . . 18679 1 7 Yangmee Kim . . . 18679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18679 _Assembly.ID 1 _Assembly.Name LmCsp_dT7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LmCsp_dT7 1 $LmCsp_dT7 A . yes native no no . . . 18679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LmCsp_dT7 _Entity.Sf_category entity _Entity.Sf_framecode LmCsp_dT7 _Entity.Entry_ID 18679 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LmCsp_dT7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEQGTVKWFNAEKGFGFIER ENGDDVFVHFSAIQGDGFKS LDEGQAVTFDVEEGQRGPQA ANVQKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7272.949 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no BMRB 18680 . LmCsp . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 2 no PDB 2LXJ . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Lmcsp With Dt7" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 3 no PDB 2LXK . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Lmcsp" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 4 no EMBL CAA62903 . "CspA protein [Listeria monocytogenes]" . . . . . 100.00 68 100.00 100.00 3.47e-38 . . . . 18679 1 5 no EMBL CAC20630 . "cold shock protein L [Listeria monocytogenes]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 6 no EMBL CAC96632 . "cspL [Listeria innocua Clip11262]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 7 no EMBL CAC99442 . "cspL [Listeria monocytogenes EGD-e]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 8 no EMBL CAK20797 . "cold shock protein [Listeria welshimeri serovar 6b str. SLCC5334]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 9 no GB AAC80246 . "major cold-shock protein, partial [Listeria innocua]" . . . . . 68.18 45 100.00 100.00 2.14e-21 . . . . 18679 1 10 no GB AAT04156 . "cold-shock domain family protein [Listeria monocytogenes serotype 4b str. F2365]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 11 no GB ACK39554 . "conserved domain protein [Listeria monocytogenes HCC23]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 12 no GB ADB68252 . "hypothetical protein LM5578_1503 [Listeria monocytogenes 08-5578]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 13 no GB ADB71297 . "hypothetical protein LM5923_1456 [Listeria monocytogenes 08-5923]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 14 no REF NP_464889 . "cold-shock protein [Listeria monocytogenes EGD-e]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 15 no REF WP_003719639 . "MULTISPECIES: cold-shock protein CspA [Listeria]" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 16 no REF WP_003756020 . "cold-shock protein [Listeria grayi]" . . . . . 98.48 66 96.92 98.46 3.31e-36 . . . . 18679 1 17 no REF WP_012985572 . "MULTISPECIES: cold-shock protein CspA [Listeria]" . . . . . 100.00 66 98.48 100.00 1.48e-37 . . . . 18679 1 18 no SP P0A355 . "RecName: Full=Cold shock-like protein CspLA; Short=CspL" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 1 19 no SP P0A356 . "RecName: Full=Cold shock-like protein CspLA; Short=CspL" . . . . . 100.00 66 100.00 100.00 4.77e-38 . . . . 18679 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 1 MET . 18679 1 2 2 GLU . 18679 1 3 3 GLN . 18679 1 4 4 GLY . 18679 1 5 5 THR . 18679 1 6 6 VAL . 18679 1 7 7 LYS . 18679 1 8 8 TRP . 18679 1 9 9 PHE . 18679 1 10 10 ASN . 18679 1 11 11 ALA . 18679 1 12 12 GLU . 18679 1 13 13 LYS . 18679 1 14 14 GLY . 18679 1 15 15 PHE . 18679 1 16 16 GLY . 18679 1 17 17 PHE . 18679 1 18 18 ILE . 18679 1 19 19 GLU . 18679 1 20 20 ARG . 18679 1 21 21 GLU . 18679 1 22 22 ASN . 18679 1 23 23 GLY . 18679 1 24 24 ASP . 18679 1 25 25 ASP . 18679 1 26 26 VAL . 18679 1 27 27 PHE . 18679 1 28 28 VAL . 18679 1 29 29 HIS . 18679 1 30 30 PHE . 18679 1 31 31 SER . 18679 1 32 32 ALA . 18679 1 33 33 ILE . 18679 1 34 34 GLN . 18679 1 35 35 GLY . 18679 1 36 36 ASP . 18679 1 37 37 GLY . 18679 1 38 38 PHE . 18679 1 39 39 LYS . 18679 1 40 40 SER . 18679 1 41 41 LEU . 18679 1 42 42 ASP . 18679 1 43 43 GLU . 18679 1 44 44 GLY . 18679 1 45 45 GLN . 18679 1 46 46 ALA . 18679 1 47 47 VAL . 18679 1 48 48 THR . 18679 1 49 49 PHE . 18679 1 50 50 ASP . 18679 1 51 51 VAL . 18679 1 52 52 GLU . 18679 1 53 53 GLU . 18679 1 54 54 GLY . 18679 1 55 55 GLN . 18679 1 56 56 ARG . 18679 1 57 57 GLY . 18679 1 58 58 PRO . 18679 1 59 59 GLN . 18679 1 60 60 ALA . 18679 1 61 61 ALA . 18679 1 62 62 ASN . 18679 1 63 63 VAL . 18679 1 64 64 GLN . 18679 1 65 65 LYS . 18679 1 66 66 ALA . 18679 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 . MET 1 1 18679 1 . GLU 2 2 18679 1 . GLN 3 3 18679 1 . GLY 4 4 18679 1 . THR 5 5 18679 1 . VAL 6 6 18679 1 . LYS 7 7 18679 1 . TRP 8 8 18679 1 . PHE 9 9 18679 1 . ASN 10 10 18679 1 . ALA 11 11 18679 1 . GLU 12 12 18679 1 . LYS 13 13 18679 1 . GLY 14 14 18679 1 . PHE 15 15 18679 1 . GLY 16 16 18679 1 . PHE 17 17 18679 1 . ILE 18 18 18679 1 . GLU 19 19 18679 1 . ARG 20 20 18679 1 . GLU 21 21 18679 1 . ASN 22 22 18679 1 . GLY 23 23 18679 1 . ASP 24 24 18679 1 . ASP 25 25 18679 1 . VAL 26 26 18679 1 . PHE 27 27 18679 1 . VAL 28 28 18679 1 . HIS 29 29 18679 1 . PHE 30 30 18679 1 . SER 31 31 18679 1 . ALA 32 32 18679 1 . ILE 33 33 18679 1 . GLN 34 34 18679 1 . GLY 35 35 18679 1 . ASP 36 36 18679 1 . GLY 37 37 18679 1 . PHE 38 38 18679 1 . LYS 39 39 18679 1 . SER 40 40 18679 1 . LEU 41 41 18679 1 . ASP 42 42 18679 1 . GLU 43 43 18679 1 . GLY 44 44 18679 1 . GLN 45 45 18679 1 . ALA 46 46 18679 1 . VAL 47 47 18679 1 . THR 48 48 18679 1 . PHE 49 49 18679 1 . ASP 50 50 18679 1 . VAL 51 51 18679 1 . GLU 52 52 18679 1 . GLU 53 53 18679 1 . GLY 54 54 18679 1 . GLN 55 55 18679 1 . ARG 56 56 18679 1 . GLY 57 57 18679 1 . PRO 58 58 18679 1 . GLN 59 59 18679 1 . ALA 60 60 18679 1 . ALA 61 61 18679 1 . ASN 62 62 18679 1 . VAL 63 63 18679 1 . GLN 64 64 18679 1 . LYS 65 65 18679 1 . ALA 66 66 18679 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 18679 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LmCsp_dT7 . 1639 organism . 'Listeria monocytogenes' Firmicutes . . Bacteria . Listeria monocytogenes . . . . . . . . . . . . . . . . . . . . . 18679 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 18679 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LmCsp_dT7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11a . . . . . . 18679 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18679 _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 LmCsp_dT7 '[U-13C; U-15N]' . . 1 $LmCsp_dT7 . . 0.8 . . mM . . . . 18679 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18679 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18679 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18679 1 5 DSS 'natural abundance' . . . . . . 0.004 . . v/v . . . . 18679 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18679 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18679 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18679 _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 pH 6 . pH 18679 1 pressure 1 . atm 18679 1 temperature 298 . K 18679 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18679 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18679 1 'Guntert, Mumenthaler and Wuthrich' . . 18679 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18679 1 refinement 18679 1 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 18679 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18679 _NMR_spectrometer.ID 2 _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 18679 _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 . 500 . . . 18679 1 2 spectrometer_2 Bruker Avance . 800 . . . 18679 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 18679 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18679 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 18679 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18679 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18679 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18679 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18679 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 18679 1 2 '3D HNCO' . . . 18679 1 3 '3D HNCACB' . . . 18679 1 4 '3D HBHA(CO)NH' . . . 18679 1 5 '3D HCCH-TOCSY' . . . 18679 1 6 '3D HNHA' . . . 18679 1 9 '3D HN(CO)CA' . . . 18679 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.926 0.005 . 1 . . . A 2 GLU HA . 18679 1 2 . 1 1 2 2 GLU HB2 H 1 1.674 0.004 . 1 . . . A 2 GLU HB2 . 18679 1 3 . 1 1 2 2 GLU HB3 H 1 1.799 0.007 . 1 . . . A 2 GLU HB3 . 18679 1 4 . 1 1 2 2 GLU HG2 H 1 1.943 0.005 . 1 . . . A 2 GLU HG2 . 18679 1 5 . 1 1 2 2 GLU HG3 H 1 2.100 0.005 . 1 . . . A 2 GLU HG3 . 18679 1 6 . 1 1 2 2 GLU C C 13 173.979 0.000 . 1 . . . A 2 GLU C . 18679 1 7 . 1 1 2 2 GLU CB C 13 26.849 0.061 . 1 . . . A 2 GLU CB . 18679 1 8 . 1 1 2 2 GLU CG C 13 33.747 0.115 . 1 . . . A 2 GLU CG . 18679 1 9 . 1 1 3 3 GLN H H 1 8.202 0.004 . 1 . . . A 3 GLN H . 18679 1 10 . 1 1 3 3 GLN HA H 1 5.150 0.007 . 1 . . . A 3 GLN HA . 18679 1 11 . 1 1 3 3 GLN HB2 H 1 2.004 0.006 . 1 . . . A 3 GLN HB2 . 18679 1 12 . 1 1 3 3 GLN HB3 H 1 2.150 0.001 . 1 . . . A 3 GLN HB3 . 18679 1 13 . 1 1 3 3 GLN HG2 H 1 2.322 0.005 . 1 . . . A 3 GLN HG2 . 18679 1 14 . 1 1 3 3 GLN HG3 H 1 2.356 0.006 . 1 . . . A 3 GLN HG3 . 18679 1 15 . 1 1 3 3 GLN HE21 H 1 7.457 0.001 . 1 . . . A 3 GLN HE21 . 18679 1 16 . 1 1 3 3 GLN HE22 H 1 6.746 0.012 . 1 . . . A 3 GLN HE22 . 18679 1 17 . 1 1 3 3 GLN C C 13 175.962 0.000 . 1 . . . A 3 GLN C . 18679 1 18 . 1 1 3 3 GLN CA C 13 54.124 0.055 . 1 . . . A 3 GLN CA . 18679 1 19 . 1 1 3 3 GLN CB C 13 31.938 0.043 . 1 . . . A 3 GLN CB . 18679 1 20 . 1 1 3 3 GLN CG C 13 33.859 0.019 . 1 . . . A 3 GLN CG . 18679 1 21 . 1 1 3 3 GLN N N 15 116.901 0.053 . 1 . . . A 3 GLN N . 18679 1 22 . 1 1 3 3 GLN NE2 N 15 111.597 0.005 . 1 . . . A 3 GLN NE2 . 18679 1 23 . 1 1 4 4 GLY H H 1 8.629 0.007 . 1 . . . A 4 GLY H . 18679 1 24 . 1 1 4 4 GLY HA2 H 1 4.675 0.006 . 1 . . . A 4 GLY HA2 . 18679 1 25 . 1 1 4 4 GLY HA3 H 1 4.675 0.006 . 1 . . . A 4 GLY HA3 . 18679 1 26 . 1 1 4 4 GLY C C 13 172.109 0.000 . 1 . . . A 4 GLY C . 18679 1 27 . 1 1 4 4 GLY CA C 13 45.614 0.000 . 1 . . . A 4 GLY CA . 18679 1 28 . 1 1 4 4 GLY N N 15 108.174 0.018 . 1 . . . A 4 GLY N . 18679 1 29 . 1 1 5 5 THR H H 1 8.417 0.001 . 1 . . . A 5 THR H . 18679 1 30 . 1 1 5 5 THR HA H 1 5.210 0.006 . 1 . . . A 5 THR HA . 18679 1 31 . 1 1 5 5 THR HB H 1 3.750 0.004 . 1 . . . A 5 THR HB . 18679 1 32 . 1 1 5 5 THR HG21 H 1 1.060 0.007 . 1 . . . A 5 THR HG21 . 18679 1 33 . 1 1 5 5 THR HG22 H 1 1.060 0.007 . 1 . . . A 5 THR HG22 . 18679 1 34 . 1 1 5 5 THR HG23 H 1 1.060 0.007 . 1 . . . A 5 THR HG23 . 18679 1 35 . 1 1 5 5 THR C C 13 173.994 0.000 . 1 . . . A 5 THR C . 18679 1 36 . 1 1 5 5 THR CA C 13 60.077 0.056 . 1 . . . A 5 THR CA . 18679 1 37 . 1 1 5 5 THR CB C 13 71.635 0.070 . 1 . . . A 5 THR CB . 18679 1 38 . 1 1 5 5 THR CG2 C 13 21.845 0.088 . 1 . . . A 5 THR CG2 . 18679 1 39 . 1 1 5 5 THR N N 15 114.528 0.029 . 1 . . . A 5 THR N . 18679 1 40 . 1 1 6 6 VAL H H 1 8.908 0.007 . 1 . . . A 6 VAL H . 18679 1 41 . 1 1 6 6 VAL HA H 1 3.521 0.002 . 1 . . . A 6 VAL HA . 18679 1 42 . 1 1 6 6 VAL HB H 1 2.366 0.004 . 1 . . . A 6 VAL HB . 18679 1 43 . 1 1 6 6 VAL HG11 H 1 0.478 0.004 . 1 . . . A 6 VAL HG11 . 18679 1 44 . 1 1 6 6 VAL HG12 H 1 0.478 0.004 . 1 . . . A 6 VAL HG12 . 18679 1 45 . 1 1 6 6 VAL HG13 H 1 0.478 0.004 . 1 . . . A 6 VAL HG13 . 18679 1 46 . 1 1 6 6 VAL HG21 H 1 0.884 0.006 . 1 . . . A 6 VAL HG21 . 18679 1 47 . 1 1 6 6 VAL HG22 H 1 0.884 0.006 . 1 . . . A 6 VAL HG22 . 18679 1 48 . 1 1 6 6 VAL HG23 H 1 0.884 0.006 . 1 . . . A 6 VAL HG23 . 18679 1 49 . 1 1 6 6 VAL C C 13 175.620 0.000 . 1 . . . A 6 VAL C . 18679 1 50 . 1 1 6 6 VAL CA C 13 65.068 0.099 . 1 . . . A 6 VAL CA . 18679 1 51 . 1 1 6 6 VAL CB C 13 31.632 0.035 . 1 . . . A 6 VAL CB . 18679 1 52 . 1 1 6 6 VAL CG1 C 13 21.053 0.056 . 1 . . . A 6 VAL CG1 . 18679 1 53 . 1 1 6 6 VAL CG2 C 13 24.680 0.027 . 1 . . . A 6 VAL CG2 . 18679 1 54 . 1 1 6 6 VAL N N 15 125.816 0.036 . 1 . . . A 6 VAL N . 18679 1 55 . 1 1 7 7 LYS H H 1 9.260 0.010 . 1 . . . A 7 LYS H . 18679 1 56 . 1 1 7 7 LYS HA H 1 4.214 0.005 . 1 . . . A 7 LYS HA . 18679 1 57 . 1 1 7 7 LYS HB2 H 1 1.638 0.004 . 1 . . . A 7 LYS HB2 . 18679 1 58 . 1 1 7 7 LYS HB3 H 1 1.749 0.008 . 1 . . . A 7 LYS HB3 . 18679 1 59 . 1 1 7 7 LYS HG2 H 1 1.632 0.006 . 1 . . . A 7 LYS HG2 . 18679 1 60 . 1 1 7 7 LYS HG3 H 1 1.551 0.003 . 1 . . . A 7 LYS HG3 . 18679 1 61 . 1 1 7 7 LYS HD2 H 1 2.081 0.001 . 1 . . . A 7 LYS HD2 . 18679 1 62 . 1 1 7 7 LYS HE2 H 1 3.094 0.004 . 1 . . . A 7 LYS HE2 . 18679 1 63 . 1 1 7 7 LYS HE3 H 1 3.094 0.004 . 1 . . . A 7 LYS HE3 . 18679 1 64 . 1 1 7 7 LYS HZ1 H 1 6.916 0.000 . 1 . . . A 7 LYS HZ1 . 18679 1 65 . 1 1 7 7 LYS HZ2 H 1 6.905 0.000 . 1 . . . A 7 LYS HZ2 . 18679 1 66 . 1 1 7 7 LYS HZ3 H 1 6.916 0.000 . 1 . . . A 7 LYS HZ3 . 18679 1 67 . 1 1 7 7 LYS C C 13 175.913 0.000 . 1 . . . A 7 LYS C . 18679 1 68 . 1 1 7 7 LYS CA C 13 58.754 0.032 . 1 . . . A 7 LYS CA . 18679 1 69 . 1 1 7 7 LYS CB C 13 35.092 0.193 . 1 . . . A 7 LYS CB . 18679 1 70 . 1 1 7 7 LYS CG C 13 25.271 0.097 . 1 . . . A 7 LYS CG . 18679 1 71 . 1 1 7 7 LYS CD C 13 29.588 0.002 . 1 . . . A 7 LYS CD . 18679 1 72 . 1 1 7 7 LYS CE C 13 42.392 0.000 . 1 . . . A 7 LYS CE . 18679 1 73 . 1 1 7 7 LYS N N 15 135.919 0.047 . 1 . . . A 7 LYS N . 18679 1 74 . 1 1 8 8 TRP H H 1 7.372 0.006 . 1 . . . A 8 TRP H . 18679 1 75 . 1 1 8 8 TRP HA H 1 4.567 0.004 . 1 . . . A 8 TRP HA . 18679 1 76 . 1 1 8 8 TRP HB2 H 1 3.273 0.002 . 1 . . . A 8 TRP HB2 . 18679 1 77 . 1 1 8 8 TRP HB3 H 1 3.547 0.007 . 1 . . . A 8 TRP HB3 . 18679 1 78 . 1 1 8 8 TRP HE1 H 1 9.764 0.000 . 1 . . . A 8 TRP HE1 . 18679 1 79 . 1 1 8 8 TRP C C 13 173.327 0.000 . 1 . . . A 8 TRP C . 18679 1 80 . 1 1 8 8 TRP CA C 13 55.871 0.069 . 1 . . . A 8 TRP CA . 18679 1 81 . 1 1 8 8 TRP CB C 13 30.675 0.040 . 1 . . . A 8 TRP CB . 18679 1 82 . 1 1 8 8 TRP N N 15 110.597 0.022 . 1 . . . A 8 TRP N . 18679 1 83 . 1 1 8 8 TRP NE1 N 15 127.816 0.000 . 1 . . . A 8 TRP NE1 . 18679 1 84 . 1 1 9 9 PHE H H 1 9.265 0.009 . 1 . . . A 9 PHE H . 18679 1 85 . 1 1 9 9 PHE HA H 1 4.180 0.006 . 1 . . . A 9 PHE HA . 18679 1 86 . 1 1 9 9 PHE HB2 H 1 2.330 0.004 . 1 . . . A 9 PHE HB2 . 18679 1 87 . 1 1 9 9 PHE HB3 H 1 2.938 0.004 . 1 . . . A 9 PHE HB3 . 18679 1 88 . 1 1 9 9 PHE C C 13 172.561 0.000 . 1 . . . A 9 PHE C . 18679 1 89 . 1 1 9 9 PHE CA C 13 59.110 0.157 . 1 . . . A 9 PHE CA . 18679 1 90 . 1 1 9 9 PHE CB C 13 42.287 0.097 . 1 . . . A 9 PHE CB . 18679 1 91 . 1 1 9 9 PHE N N 15 120.373 0.012 . 1 . . . A 9 PHE N . 18679 1 92 . 1 1 10 10 ASN H H 1 8.223 0.006 . 1 . . . A 10 ASN H . 18679 1 93 . 1 1 10 10 ASN HA H 1 4.933 0.005 . 1 . . . A 10 ASN HA . 18679 1 94 . 1 1 10 10 ASN HB2 H 1 2.535 0.004 . 1 . . . A 10 ASN HB2 . 18679 1 95 . 1 1 10 10 ASN HB3 H 1 2.634 0.009 . 1 . . . A 10 ASN HB3 . 18679 1 96 . 1 1 10 10 ASN HD21 H 1 7.504 0.002 . 1 . . . A 10 ASN HD21 . 18679 1 97 . 1 1 10 10 ASN HD22 H 1 6.783 0.001 . 1 . . . A 10 ASN HD22 . 18679 1 98 . 1 1 10 10 ASN C C 13 174.373 0.000 . 1 . . . A 10 ASN C . 18679 1 99 . 1 1 10 10 ASN CA C 13 51.898 0.000 . 1 . . . A 10 ASN CA . 18679 1 100 . 1 1 10 10 ASN CB C 13 38.909 0.046 . 1 . . . A 10 ASN CB . 18679 1 101 . 1 1 10 10 ASN N N 15 127.710 0.032 . 1 . . . A 10 ASN N . 18679 1 102 . 1 1 10 10 ASN ND2 N 15 112.232 0.003 . 1 . . . A 10 ASN ND2 . 18679 1 103 . 1 1 11 11 ALA H H 1 9.119 0.003 . 1 . . . A 11 ALA H . 18679 1 104 . 1 1 11 11 ALA HA H 1 4.303 0.004 . 1 . . . A 11 ALA HA . 18679 1 105 . 1 1 11 11 ALA HB1 H 1 1.658 0.003 . 1 . . . A 11 ALA HB1 . 18679 1 106 . 1 1 11 11 ALA HB2 H 1 1.658 0.003 . 1 . . . A 11 ALA HB2 . 18679 1 107 . 1 1 11 11 ALA HB3 H 1 1.658 0.003 . 1 . . . A 11 ALA HB3 . 18679 1 108 . 1 1 11 11 ALA C C 13 176.087 0.000 . 1 . . . A 11 ALA C . 18679 1 109 . 1 1 11 11 ALA CA C 13 53.809 0.138 . 1 . . . A 11 ALA CA . 18679 1 110 . 1 1 11 11 ALA CB C 13 18.701 0.013 . 1 . . . A 11 ALA CB . 18679 1 111 . 1 1 11 11 ALA N N 15 129.186 0.040 . 1 . . . A 11 ALA N . 18679 1 112 . 1 1 12 12 GLU H H 1 8.082 0.003 . 1 . . . A 12 GLU H . 18679 1 113 . 1 1 12 12 GLU HA H 1 4.023 0.002 . 1 . . . A 12 GLU HA . 18679 1 114 . 1 1 12 12 GLU HB2 H 1 2.011 0.004 . 1 . . . A 12 GLU HB2 . 18679 1 115 . 1 1 12 12 GLU HB3 H 1 1.973 0.011 . 1 . . . A 12 GLU HB3 . 18679 1 116 . 1 1 12 12 GLU HG2 H 1 2.340 0.009 . 1 . . . A 12 GLU HG2 . 18679 1 117 . 1 1 12 12 GLU HG3 H 1 2.340 0.009 . 1 . . . A 12 GLU HG3 . 18679 1 118 . 1 1 12 12 GLU C C 13 175.119 0.000 . 1 . . . A 12 GLU C . 18679 1 119 . 1 1 12 12 GLU CA C 13 58.448 0.023 . 1 . . . A 12 GLU CA . 18679 1 120 . 1 1 12 12 GLU CB C 13 29.156 0.077 . 1 . . . A 12 GLU CB . 18679 1 121 . 1 1 12 12 GLU N N 15 116.366 0.006 . 1 . . . A 12 GLU N . 18679 1 122 . 1 1 13 13 LYS H H 1 7.273 0.006 . 1 . . . A 13 LYS H . 18679 1 123 . 1 1 13 13 LYS HA H 1 4.312 0.006 . 1 . . . A 13 LYS HA . 18679 1 124 . 1 1 13 13 LYS HB2 H 1 1.127 0.008 . 1 . . . A 13 LYS HB2 . 18679 1 125 . 1 1 13 13 LYS HB3 H 1 1.935 0.003 . 1 . . . A 13 LYS HB3 . 18679 1 126 . 1 1 13 13 LYS HG2 H 1 1.322 0.005 . 1 . . . A 13 LYS HG2 . 18679 1 127 . 1 1 13 13 LYS HG3 H 1 1.421 0.007 . 1 . . . A 13 LYS HG3 . 18679 1 128 . 1 1 13 13 LYS HD2 H 1 1.848 0.000 . 1 . . . A 13 LYS HD2 . 18679 1 129 . 1 1 13 13 LYS HD3 H 1 1.646 0.008 . 1 . . . A 13 LYS HD3 . 18679 1 130 . 1 1 13 13 LYS HE2 H 1 2.981 0.080 . 1 . . . A 13 LYS HE2 . 18679 1 131 . 1 1 13 13 LYS HE3 H 1 2.981 0.080 . 1 . . . A 13 LYS HE3 . 18679 1 132 . 1 1 13 13 LYS C C 13 177.130 0.000 . 1 . . . A 13 LYS C . 18679 1 133 . 1 1 13 13 LYS CA C 13 56.812 0.000 . 1 . . . A 13 LYS CA . 18679 1 134 . 1 1 13 13 LYS CB C 13 34.614 0.103 . 1 . . . A 13 LYS CB . 18679 1 135 . 1 1 13 13 LYS CG C 13 25.740 0.104 . 1 . . . A 13 LYS CG . 18679 1 136 . 1 1 13 13 LYS CD C 13 29.423 0.097 . 1 . . . A 13 LYS CD . 18679 1 137 . 1 1 13 13 LYS CE C 13 42.279 0.034 . 1 . . . A 13 LYS CE . 18679 1 138 . 1 1 13 13 LYS N N 15 113.821 0.027 . 1 . . . A 13 LYS N . 18679 1 139 . 1 1 14 14 GLY H H 1 8.370 0.005 . 1 . . . A 14 GLY H . 18679 1 140 . 1 1 14 14 GLY HA2 H 1 3.849 0.002 . 1 . . . A 14 GLY HA2 . 18679 1 141 . 1 1 14 14 GLY HA3 H 1 3.849 0.002 . 1 . . . A 14 GLY HA3 . 18679 1 142 . 1 1 14 14 GLY C C 13 172.485 0.000 . 1 . . . A 14 GLY C . 18679 1 143 . 1 1 14 14 GLY CA C 13 46.754 0.000 . 1 . . . A 14 GLY CA . 18679 1 144 . 1 1 14 14 GLY N N 15 105.929 0.019 . 1 . . . A 14 GLY N . 18679 1 145 . 1 1 15 15 PHE H H 1 6.572 0.008 . 1 . . . A 15 PHE H . 18679 1 146 . 1 1 15 15 PHE HA H 1 4.814 0.006 . 1 . . . A 15 PHE HA . 18679 1 147 . 1 1 15 15 PHE HB2 H 1 2.545 0.007 . 1 . . . A 15 PHE HB2 . 18679 1 148 . 1 1 15 15 PHE HB3 H 1 2.658 0.001 . 1 . . . A 15 PHE HB3 . 18679 1 149 . 1 1 15 15 PHE C C 13 171.414 0.000 . 1 . . . A 15 PHE C . 18679 1 150 . 1 1 15 15 PHE CA C 13 53.720 0.000 . 1 . . . A 15 PHE CA . 18679 1 151 . 1 1 15 15 PHE CB C 13 42.723 0.049 . 1 . . . A 15 PHE CB . 18679 1 152 . 1 1 15 15 PHE N N 15 112.060 0.014 . 1 . . . A 15 PHE N . 18679 1 153 . 1 1 16 16 GLY H H 1 7.851 0.003 . 1 . . . A 16 GLY H . 18679 1 154 . 1 1 16 16 GLY HA2 H 1 3.683 0.011 . 1 . . . A 16 GLY HA2 . 18679 1 155 . 1 1 16 16 GLY HA3 H 1 3.683 0.011 . 1 . . . A 16 GLY HA3 . 18679 1 156 . 1 1 16 16 GLY C C 13 173.812 0.000 . 1 . . . A 16 GLY C . 18679 1 157 . 1 1 16 16 GLY CA C 13 44.912 0.000 . 1 . . . A 16 GLY CA . 18679 1 158 . 1 1 16 16 GLY N N 15 105.419 0.001 . 1 . . . A 16 GLY N . 18679 1 159 . 1 1 17 17 PHE H H 1 7.800 0.000 . 1 . . . A 17 PHE H . 18679 1 160 . 1 1 17 17 PHE HA H 1 5.008 0.006 . 1 . . . A 17 PHE HA . 18679 1 161 . 1 1 17 17 PHE HB2 H 1 2.038 0.006 . 1 . . . A 17 PHE HB2 . 18679 1 162 . 1 1 17 17 PHE HB3 H 1 2.504 0.004 . 1 . . . A 17 PHE HB3 . 18679 1 163 . 1 1 17 17 PHE C C 13 174.568 0.000 . 1 . . . A 17 PHE C . 18679 1 164 . 1 1 17 17 PHE CA C 13 56.724 0.075 . 1 . . . A 17 PHE CA . 18679 1 165 . 1 1 17 17 PHE CB C 13 45.189 0.084 . 1 . . . A 17 PHE CB . 18679 1 166 . 1 1 17 17 PHE N N 15 115.154 0.005 . 1 . . . A 17 PHE N . 18679 1 167 . 1 1 18 18 ILE H H 1 9.337 0.004 . 1 . . . A 18 ILE H . 18679 1 168 . 1 1 18 18 ILE HA H 1 4.061 0.009 . 1 . . . A 18 ILE HA . 18679 1 169 . 1 1 18 18 ILE HB H 1 0.989 0.005 . 1 . . . A 18 ILE HB . 18679 1 170 . 1 1 18 18 ILE HG12 H 1 0.244 0.007 . 1 . . . A 18 ILE HG12 . 18679 1 171 . 1 1 18 18 ILE HG13 H 1 1.109 0.003 . 1 . . . A 18 ILE HG13 . 18679 1 172 . 1 1 18 18 ILE HG21 H 1 0.286 0.008 . 1 . . . A 18 ILE HG21 . 18679 1 173 . 1 1 18 18 ILE HG22 H 1 0.286 0.008 . 1 . . . A 18 ILE HG22 . 18679 1 174 . 1 1 18 18 ILE HG23 H 1 0.286 0.008 . 1 . . . A 18 ILE HG23 . 18679 1 175 . 1 1 18 18 ILE HD11 H 1 -0.249 0.003 . 1 . . . A 18 ILE HD11 . 18679 1 176 . 1 1 18 18 ILE HD12 H 1 -0.249 0.003 . 1 . . . A 18 ILE HD12 . 18679 1 177 . 1 1 18 18 ILE HD13 H 1 -0.249 0.003 . 1 . . . A 18 ILE HD13 . 18679 1 178 . 1 1 18 18 ILE C C 13 174.459 0.000 . 1 . . . A 18 ILE C . 18679 1 179 . 1 1 18 18 ILE CA C 13 60.156 0.022 . 1 . . . A 18 ILE CA . 18679 1 180 . 1 1 18 18 ILE CB C 13 41.379 0.071 . 1 . . . A 18 ILE CB . 18679 1 181 . 1 1 18 18 ILE CG1 C 13 27.961 0.035 . 1 . . . A 18 ILE CG1 . 18679 1 182 . 1 1 18 18 ILE CG2 C 13 18.164 0.030 . 1 . . . A 18 ILE CG2 . 18679 1 183 . 1 1 18 18 ILE CD1 C 13 13.474 0.045 . 1 . . . A 18 ILE CD1 . 18679 1 184 . 1 1 18 18 ILE N N 15 122.756 0.030 . 1 . . . A 18 ILE N . 18679 1 185 . 1 1 19 19 GLU H H 1 9.294 0.007 . 1 . . . A 19 GLU H . 18679 1 186 . 1 1 19 19 GLU HA H 1 4.915 0.008 . 1 . . . A 19 GLU HA . 18679 1 187 . 1 1 19 19 GLU HB2 H 1 1.989 0.004 . 1 . . . A 19 GLU HB2 . 18679 1 188 . 1 1 19 19 GLU HB3 H 1 1.989 0.004 . 1 . . . A 19 GLU HB3 . 18679 1 189 . 1 1 19 19 GLU HG2 H 1 2.252 0.012 . 1 . . . A 19 GLU HG2 . 18679 1 190 . 1 1 19 19 GLU C C 13 175.169 0.000 . 1 . . . A 19 GLU C . 18679 1 191 . 1 1 19 19 GLU CA C 13 54.980 0.116 . 1 . . . A 19 GLU CA . 18679 1 192 . 1 1 19 19 GLU CB C 13 32.204 0.054 . 1 . . . A 19 GLU CB . 18679 1 193 . 1 1 19 19 GLU CG C 13 36.132 0.057 . 1 . . . A 19 GLU CG . 18679 1 194 . 1 1 19 19 GLU N N 15 126.777 0.027 . 1 . . . A 19 GLU N . 18679 1 195 . 1 1 20 20 ARG H H 1 9.290 0.007 . 1 . . . A 20 ARG H . 18679 1 196 . 1 1 20 20 ARG HA H 1 4.020 0.005 . 1 . . . A 20 ARG HA . 18679 1 197 . 1 1 20 20 ARG HB2 H 1 2.038 0.007 . 1 . . . A 20 ARG HB2 . 18679 1 198 . 1 1 20 20 ARG HB3 H 1 2.038 0.007 . 1 . . . A 20 ARG HB3 . 18679 1 199 . 1 1 20 20 ARG HG2 H 1 2.485 0.000 . 1 . . . A 20 ARG HG2 . 18679 1 200 . 1 1 20 20 ARG HG3 H 1 2.485 0.000 . 1 . . . A 20 ARG HG3 . 18679 1 201 . 1 1 20 20 ARG C C 13 176.345 0.000 . 1 . . . A 20 ARG C . 18679 1 202 . 1 1 20 20 ARG CA C 13 55.406 0.024 . 1 . . . A 20 ARG CA . 18679 1 203 . 1 1 20 20 ARG CB C 13 33.630 0.044 . 1 . . . A 20 ARG CB . 18679 1 204 . 1 1 20 20 ARG CG C 13 31.138 0.058 . 1 . . . A 20 ARG CG . 18679 1 205 . 1 1 20 20 ARG N N 15 123.573 0.005 . 1 . . . A 20 ARG N . 18679 1 206 . 1 1 21 21 GLU H H 1 9.066 0.026 . 1 . . . A 21 GLU H . 18679 1 207 . 1 1 21 21 GLU HA H 1 4.100 0.007 . 1 . . . A 21 GLU HA . 18679 1 208 . 1 1 21 21 GLU HB2 H 1 2.029 0.005 . 1 . . . A 21 GLU HB2 . 18679 1 209 . 1 1 21 21 GLU HB3 H 1 2.029 0.005 . 1 . . . A 21 GLU HB3 . 18679 1 210 . 1 1 21 21 GLU HG2 H 1 2.366 0.007 . 1 . . . A 21 GLU HG2 . 18679 1 211 . 1 1 21 21 GLU HG3 H 1 2.261 0.005 . 1 . . . A 21 GLU HG3 . 18679 1 212 . 1 1 21 21 GLU C C 13 177.265 0.000 . 1 . . . A 21 GLU C . 18679 1 213 . 1 1 21 21 GLU CA C 13 58.795 0.038 . 1 . . . A 21 GLU CA . 18679 1 214 . 1 1 21 21 GLU CB C 13 29.908 0.063 . 1 . . . A 21 GLU CB . 18679 1 215 . 1 1 21 21 GLU CG C 13 36.385 0.211 . 1 . . . A 21 GLU CG . 18679 1 216 . 1 1 21 21 GLU N N 15 121.542 0.161 . 1 . . . A 21 GLU N . 18679 1 217 . 1 1 22 22 ASN H H 1 8.257 0.018 . 1 . . . A 22 ASN H . 18679 1 218 . 1 1 22 22 ASN HA H 1 4.748 0.008 . 1 . . . A 22 ASN HA . 18679 1 219 . 1 1 22 22 ASN HB2 H 1 2.838 0.013 . 1 . . . A 22 ASN HB2 . 18679 1 220 . 1 1 22 22 ASN HB3 H 1 2.848 0.000 . 1 . . . A 22 ASN HB3 . 18679 1 221 . 1 1 22 22 ASN HD21 H 1 6.854 0.003 . 1 . . . A 22 ASN HD21 . 18679 1 222 . 1 1 22 22 ASN HD22 H 1 7.562 0.009 . 1 . . . A 22 ASN HD22 . 18679 1 223 . 1 1 22 22 ASN C C 13 174.806 0.000 . 1 . . . A 22 ASN C . 18679 1 224 . 1 1 22 22 ASN CA C 13 53.129 0.000 . 1 . . . A 22 ASN CA . 18679 1 225 . 1 1 22 22 ASN CB C 13 39.020 0.014 . 1 . . . A 22 ASN CB . 18679 1 226 . 1 1 22 22 ASN N N 15 115.336 0.018 . 1 . . . A 22 ASN N . 18679 1 227 . 1 1 22 22 ASN ND2 N 15 112.052 0.007 . 1 . . . A 22 ASN ND2 . 18679 1 228 . 1 1 23 23 GLY H H 1 7.866 0.003 . 1 . . . A 23 GLY H . 18679 1 229 . 1 1 23 23 GLY HA2 H 1 3.986 0.001 . 1 . . . A 23 GLY HA2 . 18679 1 230 . 1 1 23 23 GLY HA3 H 1 3.986 0.001 . 1 . . . A 23 GLY HA3 . 18679 1 231 . 1 1 23 23 GLY C C 13 172.948 0.000 . 1 . . . A 23 GLY C . 18679 1 232 . 1 1 23 23 GLY CA C 13 44.696 0.000 . 1 . . . A 23 GLY CA . 18679 1 233 . 1 1 23 23 GLY N N 15 107.564 0.013 . 1 . . . A 23 GLY N . 18679 1 234 . 1 1 24 24 ASP H H 1 8.370 0.017 . 1 . . . A 24 ASP H . 18679 1 235 . 1 1 24 24 ASP HA H 1 4.628 0.002 . 1 . . . A 24 ASP HA . 18679 1 236 . 1 1 24 24 ASP HB2 H 1 2.573 0.008 . 1 . . . A 24 ASP HB2 . 18679 1 237 . 1 1 24 24 ASP HB3 H 1 2.919 0.009 . 1 . . . A 24 ASP HB3 . 18679 1 238 . 1 1 24 24 ASP C C 13 175.559 0.000 . 1 . . . A 24 ASP C . 18679 1 239 . 1 1 24 24 ASP CA C 13 54.453 0.165 . 1 . . . A 24 ASP CA . 18679 1 240 . 1 1 24 24 ASP CB C 13 41.544 0.094 . 1 . . . A 24 ASP CB . 18679 1 241 . 1 1 24 24 ASP N N 15 120.038 0.004 . 1 . . . A 24 ASP N . 18679 1 242 . 1 1 25 25 ASP H H 1 8.698 0.005 . 1 . . . A 25 ASP H . 18679 1 243 . 1 1 25 25 ASP HA H 1 4.921 0.013 . 1 . . . A 25 ASP HA . 18679 1 244 . 1 1 25 25 ASP HB2 H 1 2.813 0.003 . 1 . . . A 25 ASP HB2 . 18679 1 245 . 1 1 25 25 ASP HB3 H 1 2.813 0.003 . 1 . . . A 25 ASP HB3 . 18679 1 246 . 1 1 25 25 ASP C C 13 176.258 0.000 . 1 . . . A 25 ASP C . 18679 1 247 . 1 1 25 25 ASP CA C 13 54.973 0.000 . 1 . . . A 25 ASP CA . 18679 1 248 . 1 1 25 25 ASP CB C 13 42.488 0.027 . 1 . . . A 25 ASP CB . 18679 1 249 . 1 1 25 25 ASP N N 15 120.666 0.100 . 1 . . . A 25 ASP N . 18679 1 250 . 1 1 26 26 VAL H H 1 9.365 0.017 . 1 . . . A 26 VAL H . 18679 1 251 . 1 1 26 26 VAL HA H 1 4.346 0.011 . 1 . . . A 26 VAL HA . 18679 1 252 . 1 1 26 26 VAL HB H 1 1.570 0.009 . 1 . . . A 26 VAL HB . 18679 1 253 . 1 1 26 26 VAL HG11 H 1 0.701 0.006 . 1 . . . A 26 VAL HG11 . 18679 1 254 . 1 1 26 26 VAL HG12 H 1 0.701 0.006 . 1 . . . A 26 VAL HG12 . 18679 1 255 . 1 1 26 26 VAL HG13 H 1 0.701 0.006 . 1 . . . A 26 VAL HG13 . 18679 1 256 . 1 1 26 26 VAL HG21 H 1 0.905 0.008 . 1 . . . A 26 VAL HG21 . 18679 1 257 . 1 1 26 26 VAL HG22 H 1 0.905 0.008 . 1 . . . A 26 VAL HG22 . 18679 1 258 . 1 1 26 26 VAL HG23 H 1 0.905 0.008 . 1 . . . A 26 VAL HG23 . 18679 1 259 . 1 1 26 26 VAL C C 13 174.724 0.000 . 1 . . . A 26 VAL C . 18679 1 260 . 1 1 26 26 VAL CA C 13 60.847 0.076 . 1 . . . A 26 VAL CA . 18679 1 261 . 1 1 26 26 VAL CB C 13 34.500 0.044 . 1 . . . A 26 VAL CB . 18679 1 262 . 1 1 26 26 VAL CG1 C 13 22.012 0.043 . 1 . . . A 26 VAL CG1 . 18679 1 263 . 1 1 26 26 VAL CG2 C 13 20.948 0.052 . 1 . . . A 26 VAL CG2 . 18679 1 264 . 1 1 26 26 VAL N N 15 120.541 0.031 . 1 . . . A 26 VAL N . 18679 1 265 . 1 1 27 27 PHE H H 1 8.335 0.021 . 1 . . . A 27 PHE H . 18679 1 266 . 1 1 27 27 PHE HA H 1 3.530 0.006 . 1 . . . A 27 PHE HA . 18679 1 267 . 1 1 27 27 PHE HB2 H 1 2.851 0.005 . 1 . . . A 27 PHE HB2 . 18679 1 268 . 1 1 27 27 PHE HB3 H 1 2.573 0.004 . 1 . . . A 27 PHE HB3 . 18679 1 269 . 1 1 27 27 PHE HD2 H 1 6.426 0.002 . 1 . . . A 27 PHE HD2 . 18679 1 270 . 1 1 27 27 PHE C C 13 172.517 0.000 . 1 . . . A 27 PHE C . 18679 1 271 . 1 1 27 27 PHE CA C 13 58.978 0.042 . 1 . . . A 27 PHE CA . 18679 1 272 . 1 1 27 27 PHE CB C 13 39.934 0.154 . 1 . . . A 27 PHE CB . 18679 1 273 . 1 1 27 27 PHE CD2 C 13 131.070 0.000 . 1 . . . A 27 PHE CD2 . 18679 1 274 . 1 1 27 27 PHE N N 15 130.752 0.031 . 1 . . . A 27 PHE N . 18679 1 275 . 1 1 28 28 VAL H H 1 7.411 0.010 . 1 . . . A 28 VAL H . 18679 1 276 . 1 1 28 28 VAL HA H 1 4.393 0.003 . 1 . . . A 28 VAL HA . 18679 1 277 . 1 1 28 28 VAL HB H 1 1.282 0.003 . 1 . . . A 28 VAL HB . 18679 1 278 . 1 1 28 28 VAL HG11 H 1 0.439 0.003 . 1 . . . A 28 VAL HG11 . 18679 1 279 . 1 1 28 28 VAL HG12 H 1 0.439 0.003 . 1 . . . A 28 VAL HG12 . 18679 1 280 . 1 1 28 28 VAL HG13 H 1 0.439 0.003 . 1 . . . A 28 VAL HG13 . 18679 1 281 . 1 1 28 28 VAL HG21 H 1 0.299 0.005 . 1 . . . A 28 VAL HG21 . 18679 1 282 . 1 1 28 28 VAL HG22 H 1 0.299 0.005 . 1 . . . A 28 VAL HG22 . 18679 1 283 . 1 1 28 28 VAL HG23 H 1 0.299 0.005 . 1 . . . A 28 VAL HG23 . 18679 1 284 . 1 1 28 28 VAL C C 13 170.556 0.000 . 1 . . . A 28 VAL C . 18679 1 285 . 1 1 28 28 VAL CA C 13 57.706 0.034 . 1 . . . A 28 VAL CA . 18679 1 286 . 1 1 28 28 VAL CB C 13 34.597 0.054 . 1 . . . A 28 VAL CB . 18679 1 287 . 1 1 28 28 VAL CG1 C 13 22.665 0.033 . 1 . . . A 28 VAL CG1 . 18679 1 288 . 1 1 28 28 VAL CG2 C 13 18.073 0.040 . 1 . . . A 28 VAL CG2 . 18679 1 289 . 1 1 28 28 VAL N N 15 124.530 0.026 . 1 . . . A 28 VAL N . 18679 1 290 . 1 1 29 29 HIS H H 1 8.561 0.009 . 1 . . . A 29 HIS H . 18679 1 291 . 1 1 29 29 HIS HA H 1 4.559 0.004 . 1 . . . A 29 HIS HA . 18679 1 292 . 1 1 29 29 HIS HB2 H 1 2.646 0.002 . 1 . . . A 29 HIS HB2 . 18679 1 293 . 1 1 29 29 HIS HB3 H 1 3.044 0.005 . 1 . . . A 29 HIS HB3 . 18679 1 294 . 1 1 29 29 HIS C C 13 177.582 0.000 . 1 . . . A 29 HIS C . 18679 1 295 . 1 1 29 29 HIS CA C 13 55.739 0.111 . 1 . . . A 29 HIS CA . 18679 1 296 . 1 1 29 29 HIS CB C 13 33.542 0.043 . 1 . . . A 29 HIS CB . 18679 1 297 . 1 1 29 29 HIS N N 15 127.448 0.020 . 1 . . . A 29 HIS N . 18679 1 298 . 1 1 30 30 PHE H H 1 7.970 0.003 . 1 . . . A 30 PHE H . 18679 1 299 . 1 1 30 30 PHE HA H 1 3.862 0.000 . 1 . . . A 30 PHE HA . 18679 1 300 . 1 1 30 30 PHE HB2 H 1 2.670 0.005 . 1 . . . A 30 PHE HB2 . 18679 1 301 . 1 1 30 30 PHE HB3 H 1 2.940 0.008 . 1 . . . A 30 PHE HB3 . 18679 1 302 . 1 1 30 30 PHE HD1 H 1 6.813 0.008 . 1 . . . A 30 PHE HD1 . 18679 1 303 . 1 1 30 30 PHE CA C 13 59.990 0.000 . 1 . . . A 30 PHE CA . 18679 1 304 . 1 1 30 30 PHE CB C 13 36.480 0.028 . 1 . . . A 30 PHE CB . 18679 1 305 . 1 1 30 30 PHE CD1 C 13 131.774 0.000 . 1 . . . A 30 PHE CD1 . 18679 1 306 . 1 1 30 30 PHE N N 15 122.691 0.021 . 1 . . . A 30 PHE N . 18679 1 307 . 1 1 31 31 SER H H 1 7.623 0.019 . 1 . . . A 31 SER H . 18679 1 308 . 1 1 31 31 SER HA H 1 3.858 0.004 . 1 . . . A 31 SER HA . 18679 1 309 . 1 1 31 31 SER HB2 H 1 3.790 0.004 . 1 . . . A 31 SER HB2 . 18679 1 310 . 1 1 31 31 SER HB3 H 1 3.790 0.004 . 1 . . . A 31 SER HB3 . 18679 1 311 . 1 1 31 31 SER C C 13 175.382 0.000 . 1 . . . A 31 SER C . 18679 1 312 . 1 1 31 31 SER CA C 13 59.761 0.039 . 1 . . . A 31 SER CA . 18679 1 313 . 1 1 31 31 SER CB C 13 62.630 0.000 . 1 . . . A 31 SER CB . 18679 1 314 . 1 1 31 31 SER N N 15 118.356 0.000 . 1 . . . A 31 SER N . 18679 1 315 . 1 1 32 32 ALA H H 1 7.902 0.003 . 1 . . . A 32 ALA H . 18679 1 316 . 1 1 32 32 ALA HA H 1 4.405 0.005 . 1 . . . A 32 ALA HA . 18679 1 317 . 1 1 32 32 ALA HB1 H 1 1.513 0.008 . 1 . . . A 32 ALA HB1 . 18679 1 318 . 1 1 32 32 ALA HB2 H 1 1.513 0.008 . 1 . . . A 32 ALA HB2 . 18679 1 319 . 1 1 32 32 ALA HB3 H 1 1.513 0.008 . 1 . . . A 32 ALA HB3 . 18679 1 320 . 1 1 32 32 ALA C C 13 177.706 0.000 . 1 . . . A 32 ALA C . 18679 1 321 . 1 1 32 32 ALA CA C 13 52.384 0.108 . 1 . . . A 32 ALA CA . 18679 1 322 . 1 1 32 32 ALA CB C 13 21.173 0.050 . 1 . . . A 32 ALA CB . 18679 1 323 . 1 1 32 32 ALA N N 15 124.536 0.047 . 1 . . . A 32 ALA N . 18679 1 324 . 1 1 33 33 ILE H H 1 7.595 0.006 . 1 . . . A 33 ILE H . 18679 1 325 . 1 1 33 33 ILE HA H 1 3.841 0.006 . 1 . . . A 33 ILE HA . 18679 1 326 . 1 1 33 33 ILE HB H 1 1.773 0.006 . 1 . . . A 33 ILE HB . 18679 1 327 . 1 1 33 33 ILE HG12 H 1 1.478 0.006 . 1 . . . A 33 ILE HG12 . 18679 1 328 . 1 1 33 33 ILE HG13 H 1 0.206 0.011 . 1 . . . A 33 ILE HG13 . 18679 1 329 . 1 1 33 33 ILE HG21 H 1 0.714 0.004 . 1 . . . A 33 ILE HG21 . 18679 1 330 . 1 1 33 33 ILE HG22 H 1 0.714 0.004 . 1 . . . A 33 ILE HG22 . 18679 1 331 . 1 1 33 33 ILE HG23 H 1 0.714 0.004 . 1 . . . A 33 ILE HG23 . 18679 1 332 . 1 1 33 33 ILE HD11 H 1 0.246 0.006 . 1 . . . A 33 ILE HD11 . 18679 1 333 . 1 1 33 33 ILE HD12 H 1 0.246 0.006 . 1 . . . A 33 ILE HD12 . 18679 1 334 . 1 1 33 33 ILE HD13 H 1 0.246 0.006 . 1 . . . A 33 ILE HD13 . 18679 1 335 . 1 1 33 33 ILE C C 13 175.517 0.000 . 1 . . . A 33 ILE C . 18679 1 336 . 1 1 33 33 ILE CA C 13 62.252 0.066 . 1 . . . A 33 ILE CA . 18679 1 337 . 1 1 33 33 ILE CB C 13 37.984 0.024 . 1 . . . A 33 ILE CB . 18679 1 338 . 1 1 33 33 ILE CG1 C 13 27.922 0.048 . 1 . . . A 33 ILE CG1 . 18679 1 339 . 1 1 33 33 ILE CG2 C 13 16.624 0.041 . 1 . . . A 33 ILE CG2 . 18679 1 340 . 1 1 33 33 ILE CD1 C 13 14.218 0.049 . 1 . . . A 33 ILE CD1 . 18679 1 341 . 1 1 33 33 ILE N N 15 121.051 0.011 . 1 . . . A 33 ILE N . 18679 1 342 . 1 1 34 34 GLN H H 1 8.714 0.003 . 1 . . . A 34 GLN H . 18679 1 343 . 1 1 34 34 GLN HA H 1 4.255 0.008 . 1 . . . A 34 GLN HA . 18679 1 344 . 1 1 34 34 GLN HB2 H 1 1.898 0.004 . 1 . . . A 34 GLN HB2 . 18679 1 345 . 1 1 34 34 GLN HB3 H 1 2.077 0.007 . 1 . . . A 34 GLN HB3 . 18679 1 346 . 1 1 34 34 GLN HG2 H 1 2.274 0.005 . 1 . . . A 34 GLN HG2 . 18679 1 347 . 1 1 34 34 GLN HG3 H 1 2.274 0.005 . 1 . . . A 34 GLN HG3 . 18679 1 348 . 1 1 34 34 GLN HE21 H 1 8.074 0.008 . 1 . . . A 34 GLN HE21 . 18679 1 349 . 1 1 34 34 GLN HE22 H 1 6.921 0.009 . 1 . . . A 34 GLN HE22 . 18679 1 350 . 1 1 34 34 GLN C C 13 176.167 0.000 . 1 . . . A 34 GLN C . 18679 1 351 . 1 1 34 34 GLN CA C 13 55.872 0.198 . 1 . . . A 34 GLN CA . 18679 1 352 . 1 1 34 34 GLN CB C 13 29.510 0.096 . 1 . . . A 34 GLN CB . 18679 1 353 . 1 1 34 34 GLN CG C 13 34.079 0.070 . 1 . . . A 34 GLN CG . 18679 1 354 . 1 1 34 34 GLN N N 15 126.803 0.013 . 1 . . . A 34 GLN N . 18679 1 355 . 1 1 34 34 GLN NE2 N 15 113.639 0.111 . 1 . . . A 34 GLN NE2 . 18679 1 356 . 1 1 35 35 GLY H H 1 8.411 0.005 . 1 . . . A 35 GLY H . 18679 1 357 . 1 1 35 35 GLY HA2 H 1 3.752 0.000 . 1 . . . A 35 GLY HA2 . 18679 1 358 . 1 1 35 35 GLY HA3 H 1 3.752 0.000 . 1 . . . A 35 GLY HA3 . 18679 1 359 . 1 1 35 35 GLY C C 13 172.763 0.000 . 1 . . . A 35 GLY C . 18679 1 360 . 1 1 35 35 GLY CA C 13 44.838 0.000 . 1 . . . A 35 GLY CA . 18679 1 361 . 1 1 35 35 GLY N N 15 110.928 0.008 . 1 . . . A 35 GLY N . 18679 1 362 . 1 1 36 36 ASP H H 1 8.319 0.001 . 1 . . . A 36 ASP H . 18679 1 363 . 1 1 36 36 ASP HA H 1 4.799 0.014 . 1 . . . A 36 ASP HA . 18679 1 364 . 1 1 36 36 ASP HB2 H 1 2.547 0.003 . 1 . . . A 36 ASP HB2 . 18679 1 365 . 1 1 36 36 ASP HB3 H 1 2.658 0.006 . 1 . . . A 36 ASP HB3 . 18679 1 366 . 1 1 36 36 ASP C C 13 176.584 0.000 . 1 . . . A 36 ASP C . 18679 1 367 . 1 1 36 36 ASP CA C 13 53.957 0.000 . 1 . . . A 36 ASP CA . 18679 1 368 . 1 1 36 36 ASP CB C 13 42.297 0.087 . 1 . . . A 36 ASP CB . 18679 1 369 . 1 1 36 36 ASP N N 15 119.994 0.030 . 1 . . . A 36 ASP N . 18679 1 370 . 1 1 37 37 GLY H H 1 8.390 0.001 . 1 . . . A 37 GLY H . 18679 1 371 . 1 1 37 37 GLY HA2 H 1 3.832 0.002 . 1 . . . A 37 GLY HA2 . 18679 1 372 . 1 1 37 37 GLY HA3 H 1 3.832 0.002 . 1 . . . A 37 GLY HA3 . 18679 1 373 . 1 1 37 37 GLY C C 13 176.528 0.000 . 1 . . . A 37 GLY C . 18679 1 374 . 1 1 37 37 GLY CA C 13 44.676 0.019 . 1 . . . A 37 GLY CA . 18679 1 375 . 1 1 37 37 GLY N N 15 108.688 0.003 . 1 . . . A 37 GLY N . 18679 1 376 . 1 1 38 38 PHE H H 1 8.423 0.000 . 1 . . . A 38 PHE H . 18679 1 377 . 1 1 38 38 PHE HA H 1 4.767 0.009 . 1 . . . A 38 PHE HA . 18679 1 378 . 1 1 38 38 PHE C C 13 175.402 0.000 . 1 . . . A 38 PHE C . 18679 1 379 . 1 1 38 38 PHE CA C 13 59.992 0.000 . 1 . . . A 38 PHE CA . 18679 1 380 . 1 1 38 38 PHE CB C 13 39.043 0.000 . 1 . . . A 38 PHE CB . 18679 1 381 . 1 1 38 38 PHE N N 15 122.793 0.003 . 1 . . . A 38 PHE N . 18679 1 382 . 1 1 39 39 LYS H H 1 8.592 0.002 . 1 . . . A 39 LYS H . 18679 1 383 . 1 1 39 39 LYS HA H 1 4.333 0.024 . 1 . . . A 39 LYS HA . 18679 1 384 . 1 1 39 39 LYS HB2 H 1 1.408 0.006 . 1 . . . A 39 LYS HB2 . 18679 1 385 . 1 1 39 39 LYS HB3 H 1 1.861 0.019 . 1 . . . A 39 LYS HB3 . 18679 1 386 . 1 1 39 39 LYS HD2 H 1 1.813 0.004 . 1 . . . A 39 LYS HD2 . 18679 1 387 . 1 1 39 39 LYS HD3 H 1 1.638 0.008 . 1 . . . A 39 LYS HD3 . 18679 1 388 . 1 1 39 39 LYS HE2 H 1 3.053 0.001 . 1 . . . A 39 LYS HE2 . 18679 1 389 . 1 1 39 39 LYS HE3 H 1 3.053 0.001 . 1 . . . A 39 LYS HE3 . 18679 1 390 . 1 1 39 39 LYS C C 13 169.990 0.000 . 1 . . . A 39 LYS C . 18679 1 391 . 1 1 39 39 LYS CA C 13 55.478 0.000 . 1 . . . A 39 LYS CA . 18679 1 392 . 1 1 39 39 LYS CB C 13 32.335 0.053 . 1 . . . A 39 LYS CB . 18679 1 393 . 1 1 39 39 LYS CD C 13 29.380 0.039 . 1 . . . A 39 LYS CD . 18679 1 394 . 1 1 39 39 LYS N N 15 123.349 0.006 . 1 . . . A 39 LYS N . 18679 1 395 . 1 1 40 40 SER H H 1 7.444 0.003 . 1 . . . A 40 SER H . 18679 1 396 . 1 1 40 40 SER HA H 1 3.673 0.010 . 1 . . . A 40 SER HA . 18679 1 397 . 1 1 40 40 SER HB2 H 1 3.508 0.008 . 1 . . . A 40 SER HB2 . 18679 1 398 . 1 1 40 40 SER HB3 H 1 3.640 0.005 . 1 . . . A 40 SER HB3 . 18679 1 399 . 1 1 40 40 SER CA C 13 57.015 0.000 . 1 . . . A 40 SER CA . 18679 1 400 . 1 1 40 40 SER CB C 13 64.589 0.071 . 1 . . . A 40 SER CB . 18679 1 401 . 1 1 40 40 SER N N 15 113.941 0.010 . 1 . . . A 40 SER N . 18679 1 402 . 1 1 41 41 LEU H H 1 5.598 0.003 . 1 . . . A 41 LEU H . 18679 1 403 . 1 1 41 41 LEU HA H 1 4.394 0.003 . 1 . . . A 41 LEU HA . 18679 1 404 . 1 1 41 41 LEU HB2 H 1 1.089 0.002 . 1 . . . A 41 LEU HB2 . 18679 1 405 . 1 1 41 41 LEU HB3 H 1 0.387 0.113 . 1 . . . A 41 LEU HB3 . 18679 1 406 . 1 1 41 41 LEU HG H 1 0.754 0.006 . 1 . . . A 41 LEU HG . 18679 1 407 . 1 1 41 41 LEU HD11 H 1 0.245 0.006 . 1 . . . A 41 LEU HD11 . 18679 1 408 . 1 1 41 41 LEU HD12 H 1 0.245 0.006 . 1 . . . A 41 LEU HD12 . 18679 1 409 . 1 1 41 41 LEU HD13 H 1 0.245 0.006 . 1 . . . A 41 LEU HD13 . 18679 1 410 . 1 1 41 41 LEU HD21 H 1 0.503 0.007 . 1 . . . A 41 LEU HD21 . 18679 1 411 . 1 1 41 41 LEU HD22 H 1 0.503 0.007 . 1 . . . A 41 LEU HD22 . 18679 1 412 . 1 1 41 41 LEU HD23 H 1 0.503 0.007 . 1 . . . A 41 LEU HD23 . 18679 1 413 . 1 1 41 41 LEU C C 13 173.917 0.000 . 1 . . . A 41 LEU C . 18679 1 414 . 1 1 41 41 LEU CA C 13 52.414 0.046 . 1 . . . A 41 LEU CA . 18679 1 415 . 1 1 41 41 LEU CB C 13 46.815 0.035 . 1 . . . A 41 LEU CB . 18679 1 416 . 1 1 41 41 LEU CG C 13 25.984 0.096 . 1 . . . A 41 LEU CG . 18679 1 417 . 1 1 41 41 LEU CD1 C 13 25.655 0.072 . 1 . . . A 41 LEU CD1 . 18679 1 418 . 1 1 41 41 LEU CD2 C 13 22.947 0.037 . 1 . . . A 41 LEU CD2 . 18679 1 419 . 1 1 41 41 LEU N N 15 117.107 0.040 . 1 . . . A 41 LEU N . 18679 1 420 . 1 1 42 42 ASP H H 1 8.156 0.005 . 1 . . . A 42 ASP H . 18679 1 421 . 1 1 42 42 ASP HA H 1 4.894 0.003 . 1 . . . A 42 ASP HA . 18679 1 422 . 1 1 42 42 ASP HB2 H 1 2.320 0.002 . 1 . . . A 42 ASP HB2 . 18679 1 423 . 1 1 42 42 ASP HB3 H 1 2.617 0.018 . 1 . . . A 42 ASP HB3 . 18679 1 424 . 1 1 42 42 ASP C C 13 175.559 0.000 . 1 . . . A 42 ASP C . 18679 1 425 . 1 1 42 42 ASP CA C 13 52.777 0.000 . 1 . . . A 42 ASP CA . 18679 1 426 . 1 1 42 42 ASP CB C 13 42.970 0.066 . 1 . . . A 42 ASP CB . 18679 1 427 . 1 1 42 42 ASP N N 15 118.896 0.044 . 1 . . . A 42 ASP N . 18679 1 428 . 1 1 43 43 GLU H H 1 8.689 0.005 . 1 . . . A 43 GLU H . 18679 1 429 . 1 1 43 43 GLU HA H 1 3.518 0.004 . 1 . . . A 43 GLU HA . 18679 1 430 . 1 1 43 43 GLU HB2 H 1 2.014 0.004 . 1 . . . A 43 GLU HB2 . 18679 1 431 . 1 1 43 43 GLU HB3 H 1 2.184 0.007 . 1 . . . A 43 GLU HB3 . 18679 1 432 . 1 1 43 43 GLU HG2 H 1 2.558 0.004 . 1 . . . A 43 GLU HG2 . 18679 1 433 . 1 1 43 43 GLU HG3 H 1 2.241 0.010 . 1 . . . A 43 GLU HG3 . 18679 1 434 . 1 1 43 43 GLU C C 13 177.211 0.000 . 1 . . . A 43 GLU C . 18679 1 435 . 1 1 43 43 GLU CA C 13 58.444 0.067 . 1 . . . A 43 GLU CA . 18679 1 436 . 1 1 43 43 GLU CB C 13 29.531 0.117 . 1 . . . A 43 GLU CB . 18679 1 437 . 1 1 43 43 GLU CG C 13 35.915 0.057 . 1 . . . A 43 GLU CG . 18679 1 438 . 1 1 43 43 GLU N N 15 121.023 0.241 . 1 . . . A 43 GLU N . 18679 1 439 . 1 1 44 44 GLY H H 1 8.971 0.007 . 1 . . . A 44 GLY H . 18679 1 440 . 1 1 44 44 GLY HA2 H 1 4.302 0.002 . 1 . . . A 44 GLY HA2 . 18679 1 441 . 1 1 44 44 GLY HA3 H 1 4.302 0.002 . 1 . . . A 44 GLY HA3 . 18679 1 442 . 1 1 44 44 GLY C C 13 173.870 0.000 . 1 . . . A 44 GLY C . 18679 1 443 . 1 1 44 44 GLY CA C 13 45.194 0.102 . 1 . . . A 44 GLY CA . 18679 1 444 . 1 1 44 44 GLY N N 15 113.916 0.041 . 1 . . . A 44 GLY N . 18679 1 445 . 1 1 45 45 GLN H H 1 7.634 0.005 . 1 . . . A 45 GLN H . 18679 1 446 . 1 1 45 45 GLN HA H 1 4.177 0.004 . 1 . . . A 45 GLN HA . 18679 1 447 . 1 1 45 45 GLN HB2 H 1 1.998 0.006 . 1 . . . A 45 GLN HB2 . 18679 1 448 . 1 1 45 45 GLN HB3 H 1 2.208 0.004 . 1 . . . A 45 GLN HB3 . 18679 1 449 . 1 1 45 45 GLN HG2 H 1 2.300 0.006 . 1 . . . A 45 GLN HG2 . 18679 1 450 . 1 1 45 45 GLN HG3 H 1 2.300 0.006 . 1 . . . A 45 GLN HG3 . 18679 1 451 . 1 1 45 45 GLN HE21 H 1 7.496 0.001 . 1 . . . A 45 GLN HE21 . 18679 1 452 . 1 1 45 45 GLN HE22 H 1 6.693 0.001 . 1 . . . A 45 GLN HE22 . 18679 1 453 . 1 1 45 45 GLN C C 13 175.454 0.000 . 1 . . . A 45 GLN C . 18679 1 454 . 1 1 45 45 GLN CA C 13 56.105 0.163 . 1 . . . A 45 GLN CA . 18679 1 455 . 1 1 45 45 GLN CB C 13 30.398 0.156 . 1 . . . A 45 GLN CB . 18679 1 456 . 1 1 45 45 GLN CG C 13 33.671 0.091 . 1 . . . A 45 GLN CG . 18679 1 457 . 1 1 45 45 GLN N N 15 120.533 0.028 . 1 . . . A 45 GLN N . 18679 1 458 . 1 1 45 45 GLN NE2 N 15 111.665 0.010 . 1 . . . A 45 GLN NE2 . 18679 1 459 . 1 1 46 46 ALA H H 1 8.894 0.002 . 1 . . . A 46 ALA H . 18679 1 460 . 1 1 46 46 ALA HA H 1 4.933 0.008 . 1 . . . A 46 ALA HA . 18679 1 461 . 1 1 46 46 ALA HB1 H 1 1.499 0.005 . 1 . . . A 46 ALA HB1 . 18679 1 462 . 1 1 46 46 ALA HB2 H 1 1.499 0.005 . 1 . . . A 46 ALA HB2 . 18679 1 463 . 1 1 46 46 ALA HB3 H 1 1.499 0.005 . 1 . . . A 46 ALA HB3 . 18679 1 464 . 1 1 46 46 ALA C C 13 178.148 0.000 . 1 . . . A 46 ALA C . 18679 1 465 . 1 1 46 46 ALA CA C 13 52.206 0.091 . 1 . . . A 46 ALA CA . 18679 1 466 . 1 1 46 46 ALA CB C 13 18.983 0.026 . 1 . . . A 46 ALA CB . 18679 1 467 . 1 1 46 46 ALA N N 15 130.118 0.037 . 1 . . . A 46 ALA N . 18679 1 468 . 1 1 47 47 VAL H H 1 8.591 0.008 . 1 . . . A 47 VAL H . 18679 1 469 . 1 1 47 47 VAL HA H 1 5.408 0.004 . 1 . . . A 47 VAL HA . 18679 1 470 . 1 1 47 47 VAL HB H 1 2.128 0.007 . 1 . . . A 47 VAL HB . 18679 1 471 . 1 1 47 47 VAL HG11 H 1 0.612 0.008 . 1 . . . A 47 VAL HG11 . 18679 1 472 . 1 1 47 47 VAL HG12 H 1 0.612 0.008 . 1 . . . A 47 VAL HG12 . 18679 1 473 . 1 1 47 47 VAL HG13 H 1 0.612 0.008 . 1 . . . A 47 VAL HG13 . 18679 1 474 . 1 1 47 47 VAL HG21 H 1 0.509 0.006 . 1 . . . A 47 VAL HG21 . 18679 1 475 . 1 1 47 47 VAL HG22 H 1 0.509 0.006 . 1 . . . A 47 VAL HG22 . 18679 1 476 . 1 1 47 47 VAL HG23 H 1 0.509 0.006 . 1 . . . A 47 VAL HG23 . 18679 1 477 . 1 1 47 47 VAL C C 13 175.654 0.000 . 1 . . . A 47 VAL C . 18679 1 478 . 1 1 47 47 VAL CA C 13 58.872 0.055 . 1 . . . A 47 VAL CA . 18679 1 479 . 1 1 47 47 VAL CB C 13 37.129 0.083 . 1 . . . A 47 VAL CB . 18679 1 480 . 1 1 47 47 VAL CG1 C 13 23.557 0.026 . 1 . . . A 47 VAL CG1 . 18679 1 481 . 1 1 47 47 VAL CG2 C 13 18.617 0.033 . 1 . . . A 47 VAL CG2 . 18679 1 482 . 1 1 47 47 VAL N N 15 114.581 0.022 . 1 . . . A 47 VAL N . 18679 1 483 . 1 1 48 48 THR H H 1 8.943 0.005 . 1 . . . A 48 THR H . 18679 1 484 . 1 1 48 48 THR HA H 1 5.398 0.007 . 1 . . . A 48 THR HA . 18679 1 485 . 1 1 48 48 THR HB H 1 4.085 0.003 . 1 . . . A 48 THR HB . 18679 1 486 . 1 1 48 48 THR HG21 H 1 1.076 0.010 . 1 . . . A 48 THR HG1 . 18679 1 487 . 1 1 48 48 THR HG22 H 1 1.076 0.010 . 1 . . . A 48 THR HG1 . 18679 1 488 . 1 1 48 48 THR HG23 H 1 1.076 0.010 . 1 . . . A 48 THR HG1 . 18679 1 489 . 1 1 48 48 THR C C 13 177.527 0.000 . 1 . . . A 48 THR C . 18679 1 490 . 1 1 48 48 THR CA C 13 60.253 0.047 . 1 . . . A 48 THR CA . 18679 1 491 . 1 1 48 48 THR CB C 13 71.323 0.046 . 1 . . . A 48 THR CB . 18679 1 492 . 1 1 48 48 THR CG2 C 13 21.468 0.016 . 1 . . . A 48 THR CG2 . 18679 1 493 . 1 1 48 48 THR N N 15 113.346 0.033 . 1 . . . A 48 THR N . 18679 1 494 . 1 1 49 49 PHE H H 1 8.214 0.007 . 1 . . . A 49 PHE H . 18679 1 495 . 1 1 49 49 PHE HA H 1 5.003 0.005 . 1 . . . A 49 PHE HA . 18679 1 496 . 1 1 49 49 PHE HB2 H 1 3.013 0.008 . 1 . . . A 49 PHE HB2 . 18679 1 497 . 1 1 49 49 PHE HB3 H 1 3.208 0.005 . 1 . . . A 49 PHE HB3 . 18679 1 498 . 1 1 49 49 PHE HD1 H 1 6.712 0.003 . 1 . . . A 49 PHE HD1 . 18679 1 499 . 1 1 49 49 PHE C C 13 171.900 0.000 . 1 . . . A 49 PHE C . 18679 1 500 . 1 1 49 49 PHE CA C 13 56.589 0.072 . 1 . . . A 49 PHE CA . 18679 1 501 . 1 1 49 49 PHE CB C 13 39.741 0.091 . 1 . . . A 49 PHE CB . 18679 1 502 . 1 1 49 49 PHE CD1 C 13 132.259 0.011 . 1 . . . A 49 PHE CD1 . 18679 1 503 . 1 1 49 49 PHE N N 15 116.531 0.019 . 1 . . . A 49 PHE N . 18679 1 504 . 1 1 50 50 ASP H H 1 8.862 0.008 . 1 . . . A 50 ASP H . 18679 1 505 . 1 1 50 50 ASP HA H 1 5.167 0.012 . 1 . . . A 50 ASP HA . 18679 1 506 . 1 1 50 50 ASP HB2 H 1 2.378 0.020 . 1 . . . A 50 ASP HB2 . 18679 1 507 . 1 1 50 50 ASP HB3 H 1 2.675 0.003 . 1 . . . A 50 ASP HB3 . 18679 1 508 . 1 1 50 50 ASP C C 13 175.559 0.000 . 1 . . . A 50 ASP C . 18679 1 509 . 1 1 50 50 ASP CA C 13 53.971 0.000 . 1 . . . A 50 ASP CA . 18679 1 510 . 1 1 50 50 ASP CB C 13 43.986 0.042 . 1 . . . A 50 ASP CB . 18679 1 511 . 1 1 50 50 ASP N N 15 118.134 0.023 . 1 . . . A 50 ASP N . 18679 1 512 . 1 1 51 51 VAL H H 1 8.700 0.008 . 1 . . . A 51 VAL H . 18679 1 513 . 1 1 51 51 VAL HA H 1 4.770 0.019 . 1 . . . A 51 VAL HA . 18679 1 514 . 1 1 51 51 VAL HB H 1 1.934 0.004 . 1 . . . A 51 VAL HB . 18679 1 515 . 1 1 51 51 VAL HG11 H 1 0.995 0.002 . 1 . . . A 51 VAL HG11 . 18679 1 516 . 1 1 51 51 VAL HG12 H 1 0.995 0.002 . 1 . . . A 51 VAL HG12 . 18679 1 517 . 1 1 51 51 VAL HG13 H 1 0.995 0.002 . 1 . . . A 51 VAL HG13 . 18679 1 518 . 1 1 51 51 VAL HG21 H 1 0.878 0.007 . 1 . . . A 51 VAL HG21 . 18679 1 519 . 1 1 51 51 VAL HG22 H 1 0.878 0.007 . 1 . . . A 51 VAL HG22 . 18679 1 520 . 1 1 51 51 VAL HG23 H 1 0.878 0.007 . 1 . . . A 51 VAL HG23 . 18679 1 521 . 1 1 51 51 VAL C C 13 175.378 0.000 . 1 . . . A 51 VAL C . 18679 1 522 . 1 1 51 51 VAL CA C 13 62.046 0.000 . 1 . . . A 51 VAL CA . 18679 1 523 . 1 1 51 51 VAL CB C 13 33.854 0.029 . 1 . . . A 51 VAL CB . 18679 1 524 . 1 1 51 51 VAL CG1 C 13 23.172 0.046 . 1 . . . A 51 VAL CG1 . 18679 1 525 . 1 1 51 51 VAL CG2 C 13 21.862 0.064 . 1 . . . A 51 VAL CG2 . 18679 1 526 . 1 1 51 51 VAL N N 15 120.815 0.207 . 1 . . . A 51 VAL N . 18679 1 527 . 1 1 52 52 GLU H H 1 9.062 0.014 . 1 . . . A 52 GLU H . 18679 1 528 . 1 1 52 52 GLU HA H 1 4.780 0.015 . 1 . . . A 52 GLU HA . 18679 1 529 . 1 1 52 52 GLU HB2 H 1 1.836 0.001 . 1 . . . A 52 GLU HB2 . 18679 1 530 . 1 1 52 52 GLU HB3 H 1 1.976 0.005 . 1 . . . A 52 GLU HB3 . 18679 1 531 . 1 1 52 52 GLU HG2 H 1 2.032 0.004 . 1 . . . A 52 GLU HG2 . 18679 1 532 . 1 1 52 52 GLU HG3 H 1 2.111 0.014 . 1 . . . A 52 GLU HG3 . 18679 1 533 . 1 1 52 52 GLU C C 13 175.436 0.000 . 1 . . . A 52 GLU C . 18679 1 534 . 1 1 52 52 GLU CA C 13 54.133 0.000 . 1 . . . A 52 GLU CA . 18679 1 535 . 1 1 52 52 GLU CB C 13 32.295 0.025 . 1 . . . A 52 GLU CB . 18679 1 536 . 1 1 52 52 GLU CG C 13 33.634 0.050 . 1 . . . A 52 GLU CG . 18679 1 537 . 1 1 52 52 GLU N N 15 127.575 0.058 . 1 . . . A 52 GLU N . 18679 1 538 . 1 1 53 53 GLU H H 1 8.808 0.012 . 1 . . . A 53 GLU H . 18679 1 539 . 1 1 53 53 GLU HA H 1 4.260 0.007 . 1 . . . A 53 GLU HA . 18679 1 540 . 1 1 53 53 GLU HB2 H 1 1.897 0.007 . 1 . . . A 53 GLU HB2 . 18679 1 541 . 1 1 53 53 GLU HB3 H 1 1.982 0.003 . 1 . . . A 53 GLU HB3 . 18679 1 542 . 1 1 53 53 GLU HG2 H 1 2.243 0.008 . 1 . . . A 53 GLU HG2 . 18679 1 543 . 1 1 53 53 GLU HG3 H 1 2.190 0.009 . 1 . . . A 53 GLU HG3 . 18679 1 544 . 1 1 53 53 GLU C C 13 176.436 0.000 . 1 . . . A 53 GLU C . 18679 1 545 . 1 1 53 53 GLU CA C 13 56.417 0.118 . 1 . . . A 53 GLU CA . 18679 1 546 . 1 1 53 53 GLU CB C 13 29.392 0.015 . 1 . . . A 53 GLU CB . 18679 1 547 . 1 1 53 53 GLU CG C 13 35.741 0.055 . 1 . . . A 53 GLU CG . 18679 1 548 . 1 1 53 53 GLU N N 15 124.119 0.042 . 1 . . . A 53 GLU N . 18679 1 549 . 1 1 54 54 GLY H H 1 7.822 0.003 . 1 . . . A 54 GLY H . 18679 1 550 . 1 1 54 54 GLY HA2 H 1 4.358 0.011 . 1 . . . A 54 GLY HA2 . 18679 1 551 . 1 1 54 54 GLY HA3 H 1 4.358 0.011 . 1 . . . A 54 GLY HA3 . 18679 1 552 . 1 1 54 54 GLY C C 13 175.559 0.000 . 1 . . . A 54 GLY C . 18679 1 553 . 1 1 54 54 GLY CA C 13 44.527 0.061 . 1 . . . A 54 GLY CA . 18679 1 554 . 1 1 54 54 GLY N N 15 113.794 0.017 . 1 . . . A 54 GLY N . 18679 1 555 . 1 1 55 55 GLN H H 1 8.685 0.024 . 1 . . . A 55 GLN H . 18679 1 556 . 1 1 55 55 GLN HA H 1 4.757 0.040 . 1 . . . A 55 GLN HA . 18679 1 557 . 1 1 55 55 GLN HB2 H 1 1.970 0.009 . 1 . . . A 55 GLN HB2 . 18679 1 558 . 1 1 55 55 GLN HB3 H 1 1.995 0.004 . 1 . . . A 55 GLN HB3 . 18679 1 559 . 1 1 55 55 GLN HG2 H 1 2.359 0.007 . 1 . . . A 55 GLN HG2 . 18679 1 560 . 1 1 55 55 GLN HG3 H 1 2.359 0.007 . 1 . . . A 55 GLN HG3 . 18679 1 561 . 1 1 55 55 GLN HE21 H 1 7.182 0.003 . 1 . . . A 55 GLN HE21 . 18679 1 562 . 1 1 55 55 GLN HE22 H 1 6.898 0.007 . 1 . . . A 55 GLN HE22 . 18679 1 563 . 1 1 55 55 GLN C C 13 177.419 0.000 . 1 . . . A 55 GLN C . 18679 1 564 . 1 1 55 55 GLN CA C 13 58.624 0.000 . 1 . . . A 55 GLN CA . 18679 1 565 . 1 1 55 55 GLN CB C 13 29.233 0.078 . 1 . . . A 55 GLN CB . 18679 1 566 . 1 1 55 55 GLN CG C 13 33.939 0.001 . 1 . . . A 55 GLN CG . 18679 1 567 . 1 1 55 55 GLN N N 15 121.059 0.095 . 1 . . . A 55 GLN N . 18679 1 568 . 1 1 55 55 GLN NE2 N 15 113.217 0.002 . 1 . . . A 55 GLN NE2 . 18679 1 569 . 1 1 56 56 ARG H H 1 8.491 0.002 . 1 . . . A 56 ARG H . 18679 1 570 . 1 1 56 56 ARG HA H 1 4.426 0.002 . 1 . . . A 56 ARG HA . 18679 1 571 . 1 1 56 56 ARG HB2 H 1 1.296 0.003 . 1 . . . A 56 ARG HB2 . 18679 1 572 . 1 1 56 56 ARG HB3 H 1 1.777 0.003 . 1 . . . A 56 ARG HB3 . 18679 1 573 . 1 1 56 56 ARG HG2 H 1 1.367 0.001 . 1 . . . A 56 ARG HG2 . 18679 1 574 . 1 1 56 56 ARG HG3 H 1 1.367 0.001 . 1 . . . A 56 ARG HG3 . 18679 1 575 . 1 1 56 56 ARG C C 13 175.110 0.000 . 1 . . . A 56 ARG C . 18679 1 576 . 1 1 56 56 ARG CA C 13 54.836 0.065 . 1 . . . A 56 ARG CA . 18679 1 577 . 1 1 56 56 ARG CB C 13 30.092 0.034 . 1 . . . A 56 ARG CB . 18679 1 578 . 1 1 56 56 ARG CG C 13 26.730 0.035 . 1 . . . A 56 ARG CG . 18679 1 579 . 1 1 56 56 ARG N N 15 116.444 0.021 . 1 . . . A 56 ARG N . 18679 1 580 . 1 1 57 57 GLY H H 1 7.316 0.004 . 1 . . . A 57 GLY H . 18679 1 581 . 1 1 57 57 GLY HA2 H 1 4.490 0.004 . 1 . . . A 57 GLY HA2 . 18679 1 582 . 1 1 57 57 GLY HA3 H 1 4.490 0.004 . 1 . . . A 57 GLY HA3 . 18679 1 583 . 1 1 57 57 GLY CA C 13 44.201 0.060 . 1 . . . A 57 GLY CA . 18679 1 584 . 1 1 57 57 GLY N N 15 107.667 0.022 . 1 . . . A 57 GLY N . 18679 1 585 . 1 1 58 58 PRO HA H 1 4.810 0.007 . 1 . . . A 58 PRO HA . 18679 1 586 . 1 1 58 58 PRO HB2 H 1 1.847 0.004 . 1 . . . A 58 PRO HB2 . 18679 1 587 . 1 1 58 58 PRO HB3 H 1 2.283 0.010 . 1 . . . A 58 PRO HB3 . 18679 1 588 . 1 1 58 58 PRO HG2 H 1 2.085 0.005 . 1 . . . A 58 PRO HG2 . 18679 1 589 . 1 1 58 58 PRO HG3 H 1 2.308 0.004 . 1 . . . A 58 PRO HG3 . 18679 1 590 . 1 1 58 58 PRO HD2 H 1 3.863 0.005 . 1 . . . A 58 PRO HD2 . 18679 1 591 . 1 1 58 58 PRO HD3 H 1 3.740 0.005 . 1 . . . A 58 PRO HD3 . 18679 1 592 . 1 1 58 58 PRO C C 13 176.345 0.000 . 1 . . . A 58 PRO C . 18679 1 593 . 1 1 58 58 PRO CA C 13 63.118 0.000 . 1 . . . A 58 PRO CA . 18679 1 594 . 1 1 58 58 PRO CB C 13 32.517 0.065 . 1 . . . A 58 PRO CB . 18679 1 595 . 1 1 58 58 PRO CG C 13 27.506 0.047 . 1 . . . A 58 PRO CG . 18679 1 596 . 1 1 58 58 PRO CD C 13 49.705 0.071 . 1 . . . A 58 PRO CD . 18679 1 597 . 1 1 59 59 GLN H H 1 9.086 0.012 . 1 . . . A 59 GLN H . 18679 1 598 . 1 1 59 59 GLN HA H 1 5.160 0.008 . 1 . . . A 59 GLN HA . 18679 1 599 . 1 1 59 59 GLN HB2 H 1 2.096 0.009 . 1 . . . A 59 GLN HB2 . 18679 1 600 . 1 1 59 59 GLN HB3 H 1 2.202 0.005 . 1 . . . A 59 GLN HB3 . 18679 1 601 . 1 1 59 59 GLN HG2 H 1 2.319 0.001 . 1 . . . A 59 GLN HG2 . 18679 1 602 . 1 1 59 59 GLN HG3 H 1 2.319 0.001 . 1 . . . A 59 GLN HG3 . 18679 1 603 . 1 1 59 59 GLN HE21 H 1 7.760 0.000 . 1 . . . A 59 GLN HE21 . 18679 1 604 . 1 1 59 59 GLN HE22 H 1 7.378 0.000 . 1 . . . A 59 GLN HE22 . 18679 1 605 . 1 1 59 59 GLN C C 13 173.910 0.000 . 1 . . . A 59 GLN C . 18679 1 606 . 1 1 59 59 GLN CA C 13 54.284 0.115 . 1 . . . A 59 GLN CA . 18679 1 607 . 1 1 59 59 GLN CB C 13 32.688 0.076 . 1 . . . A 59 GLN CB . 18679 1 608 . 1 1 59 59 GLN CG C 13 33.892 0.002 . 1 . . . A 59 GLN CG . 18679 1 609 . 1 1 59 59 GLN N N 15 121.136 0.028 . 1 . . . A 59 GLN N . 18679 1 610 . 1 1 59 59 GLN NE2 N 15 113.023 0.000 . 1 . . . A 59 GLN NE2 . 18679 1 611 . 1 1 60 60 ALA H H 1 8.796 0.006 . 1 . . . A 60 ALA H . 18679 1 612 . 1 1 60 60 ALA HA H 1 4.878 0.013 . 1 . . . A 60 ALA HA . 18679 1 613 . 1 1 60 60 ALA HB1 H 1 0.816 0.005 . 1 . . . A 60 ALA HB1 . 18679 1 614 . 1 1 60 60 ALA HB2 H 1 0.816 0.005 . 1 . . . A 60 ALA HB2 . 18679 1 615 . 1 1 60 60 ALA HB3 H 1 0.816 0.005 . 1 . . . A 60 ALA HB3 . 18679 1 616 . 1 1 60 60 ALA C C 13 176.210 0.000 . 1 . . . A 60 ALA C . 18679 1 617 . 1 1 60 60 ALA CA C 13 51.216 0.163 . 1 . . . A 60 ALA CA . 18679 1 618 . 1 1 60 60 ALA CB C 13 20.271 0.043 . 1 . . . A 60 ALA CB . 18679 1 619 . 1 1 60 60 ALA N N 15 123.241 0.035 . 1 . . . A 60 ALA N . 18679 1 620 . 1 1 61 61 ALA H H 1 9.165 0.008 . 1 . . . A 61 ALA H . 18679 1 621 . 1 1 61 61 ALA HA H 1 4.670 0.012 . 1 . . . A 61 ALA HA . 18679 1 622 . 1 1 61 61 ALA HB1 H 1 1.299 0.005 . 1 . . . A 61 ALA HB1 . 18679 1 623 . 1 1 61 61 ALA HB2 H 1 1.299 0.005 . 1 . . . A 61 ALA HB2 . 18679 1 624 . 1 1 61 61 ALA HB3 H 1 1.299 0.005 . 1 . . . A 61 ALA HB3 . 18679 1 625 . 1 1 61 61 ALA C C 13 175.840 0.000 . 1 . . . A 61 ALA C . 18679 1 626 . 1 1 61 61 ALA CA C 13 50.868 0.000 . 1 . . . A 61 ALA CA . 18679 1 627 . 1 1 61 61 ALA CB C 13 23.063 0.046 . 1 . . . A 61 ALA CB . 18679 1 628 . 1 1 61 61 ALA N N 15 123.741 0.026 . 1 . . . A 61 ALA N . 18679 1 629 . 1 1 62 62 ASN H H 1 9.288 0.003 . 1 . . . A 62 ASN H . 18679 1 630 . 1 1 62 62 ASN HA H 1 4.250 0.008 . 1 . . . A 62 ASN HA . 18679 1 631 . 1 1 62 62 ASN HB2 H 1 2.771 0.008 . 1 . . . A 62 ASN HB2 . 18679 1 632 . 1 1 62 62 ASN HB3 H 1 2.920 0.014 . 1 . . . A 62 ASN HB3 . 18679 1 633 . 1 1 62 62 ASN HD21 H 1 8.078 0.000 . 1 . . . A 62 ASN HD21 . 18679 1 634 . 1 1 62 62 ASN HD22 H 1 6.785 0.000 . 1 . . . A 62 ASN HD22 . 18679 1 635 . 1 1 62 62 ASN C C 13 178.093 0.000 . 1 . . . A 62 ASN C . 18679 1 636 . 1 1 62 62 ASN CA C 13 53.967 0.136 . 1 . . . A 62 ASN CA . 18679 1 637 . 1 1 62 62 ASN CB C 13 37.229 0.047 . 1 . . . A 62 ASN CB . 18679 1 638 . 1 1 62 62 ASN N N 15 118.727 0.011 . 1 . . . A 62 ASN N . 18679 1 639 . 1 1 62 62 ASN ND2 N 15 114.981 0.000 . 1 . . . A 62 ASN ND2 . 18679 1 640 . 1 1 63 63 VAL H H 1 8.129 0.010 . 1 . . . A 63 VAL H . 18679 1 641 . 1 1 63 63 VAL HA H 1 4.383 0.003 . 1 . . . A 63 VAL HA . 18679 1 642 . 1 1 63 63 VAL HB H 1 1.718 0.003 . 1 . . . A 63 VAL HB . 18679 1 643 . 1 1 63 63 VAL HG11 H 1 0.611 0.006 . 1 . . . A 63 VAL HG11 . 18679 1 644 . 1 1 63 63 VAL HG12 H 1 0.611 0.006 . 1 . . . A 63 VAL HG12 . 18679 1 645 . 1 1 63 63 VAL HG13 H 1 0.611 0.006 . 1 . . . A 63 VAL HG13 . 18679 1 646 . 1 1 63 63 VAL HG21 H 1 0.571 0.003 . 1 . . . A 63 VAL HG21 . 18679 1 647 . 1 1 63 63 VAL HG22 H 1 0.571 0.003 . 1 . . . A 63 VAL HG22 . 18679 1 648 . 1 1 63 63 VAL HG23 H 1 0.571 0.003 . 1 . . . A 63 VAL HG23 . 18679 1 649 . 1 1 63 63 VAL C C 13 175.378 0.000 . 1 . . . A 63 VAL C . 18679 1 650 . 1 1 63 63 VAL CA C 13 63.116 0.091 . 1 . . . A 63 VAL CA . 18679 1 651 . 1 1 63 63 VAL CB C 13 31.509 0.069 . 1 . . . A 63 VAL CB . 18679 1 652 . 1 1 63 63 VAL CG1 C 13 21.476 0.080 . 1 . . . A 63 VAL CG1 . 18679 1 653 . 1 1 63 63 VAL CG2 C 13 22.756 0.074 . 1 . . . A 63 VAL CG2 . 18679 1 654 . 1 1 63 63 VAL N N 15 116.869 0.020 . 1 . . . A 63 VAL N . 18679 1 655 . 1 1 64 64 GLN H H 1 9.104 0.005 . 1 . . . A 64 GLN H . 18679 1 656 . 1 1 64 64 GLN HA H 1 4.777 0.007 . 1 . . . A 64 GLN HA . 18679 1 657 . 1 1 64 64 GLN HB2 H 1 1.836 0.007 . 1 . . . A 64 GLN HB2 . 18679 1 658 . 1 1 64 64 GLN HB3 H 1 1.982 0.005 . 1 . . . A 64 GLN HB3 . 18679 1 659 . 1 1 64 64 GLN HG2 H 1 2.230 0.005 . 1 . . . A 64 GLN HG2 . 18679 1 660 . 1 1 64 64 GLN HG3 H 1 2.110 0.000 . 1 . . . A 64 GLN HG3 . 18679 1 661 . 1 1 64 64 GLN HE21 H 1 7.520 0.005 . 1 . . . A 64 GLN HE21 . 18679 1 662 . 1 1 64 64 GLN HE22 H 1 6.953 0.001 . 1 . . . A 64 GLN HE22 . 18679 1 663 . 1 1 64 64 GLN CA C 13 54.133 0.000 . 1 . . . A 64 GLN CA . 18679 1 664 . 1 1 64 64 GLN CB C 13 32.174 0.073 . 1 . . . A 64 GLN CB . 18679 1 665 . 1 1 64 64 GLN CG C 13 33.899 0.044 . 1 . . . A 64 GLN CG . 18679 1 666 . 1 1 64 64 GLN N N 15 127.534 0.017 . 1 . . . A 64 GLN N . 18679 1 667 . 1 1 64 64 GLN NE2 N 15 112.440 0.118 . 1 . . . A 64 GLN NE2 . 18679 1 668 . 1 1 65 65 LYS H H 1 8.637 0.048 . 1 . . . A 65 LYS H . 18679 1 669 . 1 1 65 65 LYS HA H 1 4.295 0.002 . 1 . . . A 65 LYS HA . 18679 1 670 . 1 1 65 65 LYS HB2 H 1 1.855 0.006 . 1 . . . A 65 LYS HB2 . 18679 1 671 . 1 1 65 65 LYS HB3 H 1 1.710 0.005 . 1 . . . A 65 LYS HB3 . 18679 1 672 . 1 1 65 65 LYS HG2 H 1 1.431 0.015 . 1 . . . A 65 LYS HG2 . 18679 1 673 . 1 1 65 65 LYS HG3 H 1 1.114 0.004 . 1 . . . A 65 LYS HG3 . 18679 1 674 . 1 1 65 65 LYS HD2 H 1 1.675 0.002 . 1 . . . A 65 LYS HD2 . 18679 1 675 . 1 1 65 65 LYS HD3 H 1 1.865 0.008 . 1 . . . A 65 LYS HD3 . 18679 1 676 . 1 1 65 65 LYS HE2 H 1 2.944 0.014 . 1 . . . A 65 LYS HE2 . 18679 1 677 . 1 1 65 65 LYS HE3 H 1 2.944 0.014 . 1 . . . A 65 LYS HE3 . 18679 1 678 . 1 1 65 65 LYS C C 13 175.520 0.000 . 1 . . . A 65 LYS C . 18679 1 679 . 1 1 65 65 LYS CA C 13 57.760 0.101 . 1 . . . A 65 LYS CA . 18679 1 680 . 1 1 65 65 LYS CB C 13 32.714 0.064 . 1 . . . A 65 LYS CB . 18679 1 681 . 1 1 65 65 LYS CG C 13 25.859 0.072 . 1 . . . A 65 LYS CG . 18679 1 682 . 1 1 65 65 LYS CD C 13 29.575 0.070 . 1 . . . A 65 LYS CD . 18679 1 683 . 1 1 65 65 LYS CE C 13 43.049 0.068 . 1 . . . A 65 LYS CE . 18679 1 684 . 1 1 65 65 LYS N N 15 122.593 0.027 . 1 . . . A 65 LYS N . 18679 1 685 . 1 1 66 66 ALA H H 1 8.116 0.004 . 1 . . . A 66 ALA H . 18679 1 686 . 1 1 66 66 ALA HA H 1 4.196 0.002 . 1 . . . A 66 ALA HA . 18679 1 687 . 1 1 66 66 ALA HB1 H 1 1.210 0.003 . 1 . . . A 66 ALA HB1 . 18679 1 688 . 1 1 66 66 ALA HB2 H 1 1.210 0.003 . 1 . . . A 66 ALA HB2 . 18679 1 689 . 1 1 66 66 ALA HB3 H 1 1.210 0.003 . 1 . . . A 66 ALA HB3 . 18679 1 690 . 1 1 66 66 ALA CA C 13 53.098 0.027 . 1 . . . A 66 ALA CA . 18679 1 691 . 1 1 66 66 ALA CB C 13 20.648 0.048 . 1 . . . A 66 ALA CB . 18679 1 692 . 1 1 66 66 ALA N N 15 133.816 0.031 . 1 . . . A 66 ALA N . 18679 1 stop_ save_