data_11080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11080 _Entry.Title ; 3D structure of Pin from the psychrophilic archeon Cenarcheaum symbiosum (CsPin) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-17 _Entry.Accession_date 2009-11-17 _Entry.Last_release_date 2011-06-03 _Entry.Original_release_date 2011-06-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Pin (protein interacting with NIMA-kinase) catalyzes the cis/trans isomerisation of Xaa-Pro peptide bonds of target proteins. ; _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 Igor Zhukov . . . 11080 2 Lukasz Jaremko . . . 11080 3 Mariusz Jaremko . . . 11080 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell cycle' . 11080 'Cenarcheaum symbiosum' . 11080 'cis/trans isomerisation' . 11080 'low temperature' . 11080 NIMA-kinase . 11080 NMR . 11080 parvulin . 11080 Pin1 . 11080 'solution structure' . 11080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11080 heteronucl_NOEs 1 11080 heteronucl_T1_relaxation 2 11080 heteronucl_T2_relaxation 2 11080 order_parameters 1 11080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 11080 '15N chemical shifts' 90 11080 '1H chemical shifts' 660 11080 'heteronuclear NOE values' 74 11080 'order parameters' 74 11080 'T1 relaxation values' 160 11080 'T2 relaxation values' 160 11080 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 . . 2011-06-03 2009-11-17 original author . 11080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RQS 'BMRB Entry Tracking System' 11080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21138844 _Citation.Full_citation . _Citation.Title 'Structure and dynamics of the first archaeal parvulin reveal a new functionally important loop in parvulin-type prolyl isomerases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 8 _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 6554 _Citation.Page_last 6565 _Citation.Year 2011 _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 ukasz Jaremko . . . 11080 1 2 Mariusz Jaremko . . . 11080 1 3 Imadeldin Elfaki . . . 11080 1 4 Jonathan Mueller . W. . 11080 1 5 Andrzej Ejchart . . . 11080 1 6 Peter Bayer . . . 11080 1 7 Igor Zhukov . . . 11080 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cis/trans isomerization' 11080 1 'NMR spectroscopy' 11080 1 parvulin 11080 1 PPIase 11080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11080 _Assembly.ID 1 _Assembly.Name CsPin _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 CsPin 1 $CsPin A . yes native no no . . . 11080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsPin _Entity.Sf_category entity _Entity.Sf_framecode CsPin _Entity.Entry_ID 11080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CsPin _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 ; GPMGSMADKIKCSHILVKKQ GEALAVQERLKAGEKFGKLA KELSIDGGSAKRDGSLGYFG RGKMVKPFEDAAFRLQVGEV SEPVKSEFGYHVIKRLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-5 non-native affinity tag' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 18864 . CsPinA . . . . . 100.00 97 100.00 100.00 1.57e-60 . . . . 11080 1 2 no PDB 2M1I . "High Resolution Structure And Dynamics Of Cspina Parvulin At Physiological Temperature" . . . . . 100.00 97 100.00 100.00 1.57e-60 . . . . 11080 1 3 no PDB 2RQS . "3d Structure Of Pin From The Psychrophilic Archeon Cenarcheaum Symbiosum (Cspin)" . . . . . 100.00 97 100.00 100.00 1.57e-60 . . . . 11080 1 4 no GB AAC62692 . "peptidyl-prolyl cis/trans isomerase [Cenarchaeum symbiosum]" . . . . . 94.85 92 100.00 100.00 1.68e-56 . . . . 11080 1 5 no GB ABK77807 . "parvulin-like peptidyl-prolyl isomerase [Cenarchaeum symbiosum A]" . . . . . 94.85 92 100.00 100.00 1.68e-56 . . . . 11080 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 . GLY . 11080 1 2 . PRO . 11080 1 3 . MET . 11080 1 4 . GLY . 11080 1 5 . SER . 11080 1 6 . MET . 11080 1 7 . ALA . 11080 1 8 . ASP . 11080 1 9 . LYS . 11080 1 10 . ILE . 11080 1 11 . LYS . 11080 1 12 . CYS . 11080 1 13 . SER . 11080 1 14 . HIS . 11080 1 15 . ILE . 11080 1 16 . LEU . 11080 1 17 . VAL . 11080 1 18 . LYS . 11080 1 19 . LYS . 11080 1 20 . GLN . 11080 1 21 . GLY . 11080 1 22 . GLU . 11080 1 23 . ALA . 11080 1 24 . LEU . 11080 1 25 . ALA . 11080 1 26 . VAL . 11080 1 27 . GLN . 11080 1 28 . GLU . 11080 1 29 . ARG . 11080 1 30 . LEU . 11080 1 31 . LYS . 11080 1 32 . ALA . 11080 1 33 . GLY . 11080 1 34 . GLU . 11080 1 35 . LYS . 11080 1 36 . PHE . 11080 1 37 . GLY . 11080 1 38 . LYS . 11080 1 39 . LEU . 11080 1 40 . ALA . 11080 1 41 . LYS . 11080 1 42 . GLU . 11080 1 43 . LEU . 11080 1 44 . SER . 11080 1 45 . ILE . 11080 1 46 . ASP . 11080 1 47 . GLY . 11080 1 48 . GLY . 11080 1 49 . SER . 11080 1 50 . ALA . 11080 1 51 . LYS . 11080 1 52 . ARG . 11080 1 53 . ASP . 11080 1 54 . GLY . 11080 1 55 . SER . 11080 1 56 . LEU . 11080 1 57 . GLY . 11080 1 58 . TYR . 11080 1 59 . PHE . 11080 1 60 . GLY . 11080 1 61 . ARG . 11080 1 62 . GLY . 11080 1 63 . LYS . 11080 1 64 . MET . 11080 1 65 . VAL . 11080 1 66 . LYS . 11080 1 67 . PRO . 11080 1 68 . PHE . 11080 1 69 . GLU . 11080 1 70 . ASP . 11080 1 71 . ALA . 11080 1 72 . ALA . 11080 1 73 . PHE . 11080 1 74 . ARG . 11080 1 75 . LEU . 11080 1 76 . GLN . 11080 1 77 . VAL . 11080 1 78 . GLY . 11080 1 79 . GLU . 11080 1 80 . VAL . 11080 1 81 . SER . 11080 1 82 . GLU . 11080 1 83 . PRO . 11080 1 84 . VAL . 11080 1 85 . LYS . 11080 1 86 . SER . 11080 1 87 . GLU . 11080 1 88 . PHE . 11080 1 89 . GLY . 11080 1 90 . TYR . 11080 1 91 . HIS . 11080 1 92 . VAL . 11080 1 93 . ILE . 11080 1 94 . LYS . 11080 1 95 . ARG . 11080 1 96 . LEU . 11080 1 97 . GLY . 11080 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 11080 1 . PRO 2 2 11080 1 . MET 3 3 11080 1 . GLY 4 4 11080 1 . SER 5 5 11080 1 . MET 6 6 11080 1 . ALA 7 7 11080 1 . ASP 8 8 11080 1 . LYS 9 9 11080 1 . ILE 10 10 11080 1 . LYS 11 11 11080 1 . CYS 12 12 11080 1 . SER 13 13 11080 1 . HIS 14 14 11080 1 . ILE 15 15 11080 1 . LEU 16 16 11080 1 . VAL 17 17 11080 1 . LYS 18 18 11080 1 . LYS 19 19 11080 1 . GLN 20 20 11080 1 . GLY 21 21 11080 1 . GLU 22 22 11080 1 . ALA 23 23 11080 1 . LEU 24 24 11080 1 . ALA 25 25 11080 1 . VAL 26 26 11080 1 . GLN 27 27 11080 1 . GLU 28 28 11080 1 . ARG 29 29 11080 1 . LEU 30 30 11080 1 . LYS 31 31 11080 1 . ALA 32 32 11080 1 . GLY 33 33 11080 1 . GLU 34 34 11080 1 . LYS 35 35 11080 1 . PHE 36 36 11080 1 . GLY 37 37 11080 1 . LYS 38 38 11080 1 . LEU 39 39 11080 1 . ALA 40 40 11080 1 . LYS 41 41 11080 1 . GLU 42 42 11080 1 . LEU 43 43 11080 1 . SER 44 44 11080 1 . ILE 45 45 11080 1 . ASP 46 46 11080 1 . GLY 47 47 11080 1 . GLY 48 48 11080 1 . SER 49 49 11080 1 . ALA 50 50 11080 1 . LYS 51 51 11080 1 . ARG 52 52 11080 1 . ASP 53 53 11080 1 . GLY 54 54 11080 1 . SER 55 55 11080 1 . LEU 56 56 11080 1 . GLY 57 57 11080 1 . TYR 58 58 11080 1 . PHE 59 59 11080 1 . GLY 60 60 11080 1 . ARG 61 61 11080 1 . GLY 62 62 11080 1 . LYS 63 63 11080 1 . MET 64 64 11080 1 . VAL 65 65 11080 1 . LYS 66 66 11080 1 . PRO 67 67 11080 1 . PHE 68 68 11080 1 . GLU 69 69 11080 1 . ASP 70 70 11080 1 . ALA 71 71 11080 1 . ALA 72 72 11080 1 . PHE 73 73 11080 1 . ARG 74 74 11080 1 . LEU 75 75 11080 1 . GLN 76 76 11080 1 . VAL 77 77 11080 1 . GLY 78 78 11080 1 . GLU 79 79 11080 1 . VAL 80 80 11080 1 . SER 81 81 11080 1 . GLU 82 82 11080 1 . PRO 83 83 11080 1 . VAL 84 84 11080 1 . LYS 85 85 11080 1 . SER 86 86 11080 1 . GLU 87 87 11080 1 . PHE 88 88 11080 1 . GLY 89 89 11080 1 . TYR 90 90 11080 1 . HIS 91 91 11080 1 . VAL 92 92 11080 1 . ILE 93 93 11080 1 . LYS 94 94 11080 1 . ARG 95 95 11080 1 . LEU 96 96 11080 1 . GLY 97 97 11080 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 11080 _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 $CsPin . 414004 organism . 'Cenarchaeum symbiosum' 'Cenarchaeum symbiosum A' . . Archaea . Cenarchaeum symbiosum A . . . . . . . . . . . . . . . pinA . . . . 11080 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 11080 _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 $CsPin . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pet25 . . . . . . 11080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11080 _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 CsPin '[U-100% 13C; U-100% 15N]' . . 1 $CsPin . protein 0.6 . . mM 0.2 . . . 11080 1 2 TRIS . . . . . . buffer 20 . . mM . . . . 11080 1 3 DTT . . . . . . salt 3 . . mM . . . . 11080 1 4 NaCl . . . . . . salt 50 . . mM . . . . 11080 1 5 H2O . . . . . . solvent 90 . . % . . . . 11080 1 6 D2O . . . . . . solvent 10 . . % . . . . 11080 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 11080 _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' 0.1 . M 11080 1 pH 7.5 . pH 11080 1 pressure 1 . atm 11080 1 temperature 289 . K 11080 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11080 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11080 1 refinement 11080 1 'structure solution' 11080 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11080 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11080 2 'peak picking' 11080 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 11080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11080 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11080 _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 Varian VNMRS . 800 . . . 11080 1 2 spectrometer_2 Varian Unity+ . 500 . . . 11080 1 3 spectrometer_3 Varian VNMRS . 700 . . . 11080 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 11080 _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 . . . . . . . . . . . . . . . . 11080 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11080 1 12 '2D 1H-15N HSQC No.2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11080 1 13 '2D 1H-15N HSQC No.3' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11080 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 11080 _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 . . . . . . . . . 11080 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11080 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11080 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 11080 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11080 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 1 1 GLY HA2 H 1 3.861 0.02 . 2 . . . . 1 GLY QA . 11080 1 2 . 1 1 1 1 GLY HA3 H 1 3.861 0.02 . 2 . . . . 1 GLY QA . 11080 1 3 . 1 1 1 1 GLY CA C 13 44.141 0.2 . 1 . . . . 1 GLY CA . 11080 1 4 . 1 1 2 2 PRO HA H 1 4.470 0.02 . 1 . . . . 2 PRO HA . 11080 1 5 . 1 1 2 2 PRO HB2 H 1 2.311 0.02 . 2 . . . . 2 PRO QB . 11080 1 6 . 1 1 2 2 PRO HB3 H 1 2.311 0.02 . 2 . . . . 2 PRO QB . 11080 1 7 . 1 1 2 2 PRO HD2 H 1 3.566 0.02 . 2 . . . . 2 PRO QD . 11080 1 8 . 1 1 2 2 PRO HD3 H 1 3.566 0.02 . 2 . . . . 2 PRO QD . 11080 1 9 . 1 1 2 2 PRO HG2 H 1 2.009 0.02 . 2 . . . . 2 PRO QG . 11080 1 10 . 1 1 2 2 PRO HG3 H 1 2.009 0.02 . 2 . . . . 2 PRO QG . 11080 1 11 . 1 1 2 2 PRO CA C 13 63.246 0.2 . 1 . . . . 2 PRO CA . 11080 1 12 . 1 1 2 2 PRO CB C 13 32.388 0.2 . 1 . . . . 2 PRO CB . 11080 1 13 . 1 1 2 2 PRO CD C 13 49.759 0.2 . 1 . . . . 2 PRO CD . 11080 1 14 . 1 1 2 2 PRO CG C 13 27.288 0.2 . 1 . . . . 2 PRO CG . 11080 1 15 . 1 1 3 3 MET HA H 1 4.476 0.02 . 1 . . . . 3 MET HA . 11080 1 16 . 1 1 3 3 MET HB2 H 1 2.116 0.02 . 2 . . . . 3 MET HB2 . 11080 1 17 . 1 1 3 3 MET HB3 H 1 2.055 0.02 . 2 . . . . 3 MET HB3 . 11080 1 18 . 1 1 3 3 MET HG2 H 1 2.647 0.02 . 2 . . . . 3 MET HG2 . 11080 1 19 . 1 1 3 3 MET HG3 H 1 2.579 0.02 . 2 . . . . 3 MET HG3 . 11080 1 20 . 1 1 3 3 MET CA C 13 56.002 0.2 . 1 . . . . 3 MET CA . 11080 1 21 . 1 1 3 3 MET CB C 13 32.025 0.2 . 1 . . . . 3 MET CB . 11080 1 22 . 1 1 3 3 MET CG C 13 32.242 0.2 . 1 . . . . 3 MET CG . 11080 1 23 . 1 1 4 4 GLY HA2 H 1 4.003 0.02 . 2 . . . . 4 GLY QA . 11080 1 24 . 1 1 4 4 GLY HA3 H 1 4.003 0.02 . 2 . . . . 4 GLY QA . 11080 1 25 . 1 1 4 4 GLY CA C 13 45.433 0.2 . 1 . . . . 4 GLY CA . 11080 1 26 . 1 1 5 5 SER HA H 1 4.427 0.02 . 1 . . . . 5 SER HA . 11080 1 27 . 1 1 5 5 SER HB2 H 1 3.906 0.02 . 2 . . . . 5 SER HB2 . 11080 1 28 . 1 1 5 5 SER HB3 H 1 3.846 0.02 . 2 . . . . 5 SER HB3 . 11080 1 29 . 1 1 5 5 SER CA C 13 58.631 0.2 . 1 . . . . 5 SER CA . 11080 1 30 . 1 1 5 5 SER CB C 13 64.117 0.2 . 1 . . . . 5 SER CB . 11080 1 31 . 1 1 7 7 ALA HA H 1 4.425 0.02 . 1 . . . . 7 ALA HA . 11080 1 32 . 1 1 7 7 ALA HB1 H 1 1.431 0.02 . 1 . . . . 7 ALA QB . 11080 1 33 . 1 1 7 7 ALA HB2 H 1 1.431 0.02 . 1 . . . . 7 ALA QB . 11080 1 34 . 1 1 7 7 ALA HB3 H 1 1.431 0.02 . 1 . . . . 7 ALA QB . 11080 1 35 . 1 1 7 7 ALA CA C 13 52.645 0.2 . 1 . . . . 7 ALA CA . 11080 1 36 . 1 1 7 7 ALA CB C 13 19.616 0.2 . 1 . . . . 7 ALA CB . 11080 1 37 . 1 1 8 8 ASP H H 1 8.353 0.02 . 1 . . . . 8 ASP H . 11080 1 38 . 1 1 8 8 ASP HA H 1 4.621 0.02 . 1 . . . . 8 ASP HA . 11080 1 39 . 1 1 8 8 ASP HB2 H 1 2.682 0.02 . 2 . . . . 8 ASP HB2 . 11080 1 40 . 1 1 8 8 ASP HB3 H 1 2.770 0.02 . 2 . . . . 8 ASP HB3 . 11080 1 41 . 1 1 8 8 ASP CA C 13 55.170 0.2 . 1 . . . . 8 ASP CA . 11080 1 42 . 1 1 8 8 ASP CB C 13 41.375 0.2 . 1 . . . . 8 ASP CB . 11080 1 43 . 1 1 8 8 ASP N N 15 119.103 0.2 . 1 . . . . 8 ASP N . 11080 1 44 . 1 1 9 9 LYS H H 1 7.858 0.02 . 1 . . . . 9 LYS H . 11080 1 45 . 1 1 9 9 LYS HA H 1 4.966 0.02 . 1 . . . . 9 LYS HA . 11080 1 46 . 1 1 9 9 LYS HB2 H 1 1.638 0.02 . 2 . . . . 9 LYS HB2 . 11080 1 47 . 1 1 9 9 LYS HB3 H 1 1.527 0.02 . 2 . . . . 9 LYS HB3 . 11080 1 48 . 1 1 9 9 LYS HD2 H 1 1.463 0.02 . 2 . . . . 9 LYS HD2 . 11080 1 49 . 1 1 9 9 LYS HD3 H 1 1.445 0.02 . 2 . . . . 9 LYS HD3 . 11080 1 50 . 1 1 9 9 LYS HE2 H 1 2.859 0.02 . 2 . . . . 9 LYS HE2 . 11080 1 51 . 1 1 9 9 LYS HE3 H 1 2.843 0.02 . 2 . . . . 9 LYS HE3 . 11080 1 52 . 1 1 9 9 LYS HG2 H 1 1.421 0.02 . 2 . . . . 9 LYS HG2 . 11080 1 53 . 1 1 9 9 LYS HG3 H 1 1.179 0.02 . 2 . . . . 9 LYS HG3 . 11080 1 54 . 1 1 9 9 LYS CA C 13 55.367 0.2 . 1 . . . . 9 LYS CA . 11080 1 55 . 1 1 9 9 LYS CB C 13 36.080 0.2 . 1 . . . . 9 LYS CB . 11080 1 56 . 1 1 9 9 LYS CD C 13 29.741 0.2 . 1 . . . . 9 LYS CD . 11080 1 57 . 1 1 9 9 LYS CE C 13 42.269 0.2 . 1 . . . . 9 LYS CE . 11080 1 58 . 1 1 9 9 LYS CG C 13 25.173 0.2 . 1 . . . . 9 LYS CG . 11080 1 59 . 1 1 9 9 LYS N N 15 117.781 0.2 . 1 . . . . 9 LYS N . 11080 1 60 . 1 1 10 10 ILE H H 1 8.254 0.02 . 1 . . . . 10 ILE H . 11080 1 61 . 1 1 10 10 ILE HA H 1 4.514 0.02 . 1 . . . . 10 ILE HA . 11080 1 62 . 1 1 10 10 ILE HB H 1 1.222 0.02 . 1 . . . . 10 ILE HB . 11080 1 63 . 1 1 10 10 ILE HD11 H 1 -0.519 0.02 . 1 . . . . 10 ILE QD1 . 11080 1 64 . 1 1 10 10 ILE HD12 H 1 -0.519 0.02 . 1 . . . . 10 ILE QD1 . 11080 1 65 . 1 1 10 10 ILE HD13 H 1 -0.519 0.02 . 1 . . . . 10 ILE QD1 . 11080 1 66 . 1 1 10 10 ILE HG12 H 1 0.031 0.02 . 2 . . . . 10 ILE HG12 . 11080 1 67 . 1 1 10 10 ILE HG13 H 1 -0.064 0.02 . 2 . . . . 10 ILE HG13 . 11080 1 68 . 1 1 10 10 ILE HG21 H 1 0.501 0.02 . 1 . . . . 10 ILE QG2 . 11080 1 69 . 1 1 10 10 ILE HG22 H 1 0.501 0.02 . 1 . . . . 10 ILE QG2 . 11080 1 70 . 1 1 10 10 ILE HG23 H 1 0.501 0.02 . 1 . . . . 10 ILE QG2 . 11080 1 71 . 1 1 10 10 ILE CA C 13 59.560 0.2 . 1 . . . . 10 ILE CA . 11080 1 72 . 1 1 10 10 ILE CB C 13 42.395 0.2 . 1 . . . . 10 ILE CB . 11080 1 73 . 1 1 10 10 ILE CD1 C 13 14.078 0.2 . 1 . . . . 10 ILE CD1 . 11080 1 74 . 1 1 10 10 ILE CG1 C 13 23.836 0.2 . 1 . . . . 10 ILE CG1 . 11080 1 75 . 1 1 10 10 ILE CG2 C 13 17.232 0.2 . 1 . . . . 10 ILE CG2 . 11080 1 76 . 1 1 10 10 ILE N N 15 114.675 0.2 . 1 . . . . 10 ILE N . 11080 1 77 . 1 1 11 11 LYS H H 1 7.974 0.02 . 1 . . . . 11 LYS H . 11080 1 78 . 1 1 11 11 LYS HA H 1 4.791 0.02 . 1 . . . . 11 LYS HA . 11080 1 79 . 1 1 11 11 LYS HB2 H 1 0.690 0.02 . 2 . . . . 11 LYS HB2 . 11080 1 80 . 1 1 11 11 LYS HB3 H 1 -0.245 0.02 . 2 . . . . 11 LYS HB3 . 11080 1 81 . 1 1 11 11 LYS HD2 H 1 1.268 0.02 . 2 . . . . 11 LYS HD2 . 11080 1 82 . 1 1 11 11 LYS HD3 H 1 1.108 0.02 . 2 . . . . 11 LYS HD3 . 11080 1 83 . 1 1 11 11 LYS HE2 H 1 2.580 0.02 . 2 . . . . 11 LYS HE2 . 11080 1 84 . 1 1 11 11 LYS HE3 H 1 2.597 0.02 . 2 . . . . 11 LYS HE3 . 11080 1 85 . 1 1 11 11 LYS HG2 H 1 0.501 0.02 . 2 . . . . 11 LYS HG2 . 11080 1 86 . 1 1 11 11 LYS HG3 H 1 0.765 0.02 . 2 . . . . 11 LYS HG3 . 11080 1 87 . 1 1 11 11 LYS CA C 13 53.911 0.2 . 1 . . . . 11 LYS CA . 11080 1 88 . 1 1 11 11 LYS CB C 13 33.603 0.2 . 1 . . . . 11 LYS CB . 11080 1 89 . 1 1 11 11 LYS CD C 13 29.588 0.2 . 1 . . . . 11 LYS CD . 11080 1 90 . 1 1 11 11 LYS CE C 13 42.037 0.2 . 1 . . . . 11 LYS CE . 11080 1 91 . 1 1 11 11 LYS CG C 13 24.945 0.2 . 1 . . . . 11 LYS CG . 11080 1 92 . 1 1 11 11 LYS N N 15 121.626 0.2 . 1 . . . . 11 LYS N . 11080 1 93 . 1 1 12 12 CYS H H 1 7.256 0.02 . 1 . . . . 12 CYS H . 11080 1 94 . 1 1 12 12 CYS HA H 1 5.638 0.02 . 1 . . . . 12 CYS HA . 11080 1 95 . 1 1 12 12 CYS HB2 H 1 3.033 0.02 . 2 . . . . 12 CYS HB2 . 11080 1 96 . 1 1 12 12 CYS HB3 H 1 2.870 0.02 . 2 . . . . 12 CYS HB3 . 11080 1 97 . 1 1 12 12 CYS CA C 13 56.658 0.2 . 1 . . . . 12 CYS CA . 11080 1 98 . 1 1 12 12 CYS CB C 13 33.625 0.2 . 1 . . . . 12 CYS CB . 11080 1 99 . 1 1 12 12 CYS N N 15 118.054 0.2 . 1 . . . . 12 CYS N . 11080 1 100 . 1 1 13 13 SER H H 1 9.186 0.02 . 1 . . . . 13 SER H . 11080 1 101 . 1 1 13 13 SER HA H 1 5.625 0.02 . 1 . . . . 13 SER HA . 11080 1 102 . 1 1 13 13 SER HB2 H 1 3.887 0.02 . 2 . . . . 13 SER HB2 . 11080 1 103 . 1 1 13 13 SER HB3 H 1 3.315 0.02 . 2 . . . . 13 SER HB3 . 11080 1 104 . 1 1 13 13 SER CA C 13 56.017 0.2 . 1 . . . . 13 SER CA . 11080 1 105 . 1 1 13 13 SER CB C 13 66.920 0.2 . 1 . . . . 13 SER CB . 11080 1 106 . 1 1 13 13 SER N N 15 117.042 0.2 . 1 . . . . 13 SER N . 11080 1 107 . 1 1 14 14 HIS H H 1 9.902 0.02 . 1 . . . . 14 HIS H . 11080 1 108 . 1 1 14 14 HIS HA H 1 6.410 0.02 . 1 . . . . 14 HIS HA . 11080 1 109 . 1 1 14 14 HIS HB2 H 1 3.378 0.02 . 2 . . . . 14 HIS QB . 11080 1 110 . 1 1 14 14 HIS HB3 H 1 3.378 0.02 . 2 . . . . 14 HIS QB . 11080 1 111 . 1 1 14 14 HIS HD2 H 1 7.153 0.02 . 1 . . . . 14 HIS HD2 . 11080 1 112 . 1 1 14 14 HIS CA C 13 54.594 0.2 . 1 . . . . 14 HIS CA . 11080 1 113 . 1 1 14 14 HIS CB C 13 37.623 0.2 . 1 . . . . 14 HIS CB . 11080 1 114 . 1 1 14 14 HIS CD2 C 13 116.895 0.2 . 1 . . . . 14 HIS CD2 . 11080 1 115 . 1 1 14 14 HIS N N 15 119.162 0.2 . 1 . . . . 14 HIS N . 11080 1 116 . 1 1 15 15 ILE H H 1 8.913 0.02 . 1 . . . . 15 ILE H . 11080 1 117 . 1 1 15 15 ILE HA H 1 3.437 0.02 . 1 . . . . 15 ILE HA . 11080 1 118 . 1 1 15 15 ILE HB H 1 1.302 0.02 . 1 . . . . 15 ILE HB . 11080 1 119 . 1 1 15 15 ILE HD11 H 1 -0.091 0.02 . 1 . . . . 15 ILE QD1 . 11080 1 120 . 1 1 15 15 ILE HD12 H 1 -0.091 0.02 . 1 . . . . 15 ILE QD1 . 11080 1 121 . 1 1 15 15 ILE HD13 H 1 -0.091 0.02 . 1 . . . . 15 ILE QD1 . 11080 1 122 . 1 1 15 15 ILE HG12 H 1 0.173 0.02 . 2 . . . . 15 ILE HG12 . 11080 1 123 . 1 1 15 15 ILE HG13 H 1 1.280 0.02 . 2 . . . . 15 ILE HG13 . 11080 1 124 . 1 1 15 15 ILE HG21 H 1 0.528 0.02 . 1 . . . . 15 ILE QG2 . 11080 1 125 . 1 1 15 15 ILE HG22 H 1 0.528 0.02 . 1 . . . . 15 ILE QG2 . 11080 1 126 . 1 1 15 15 ILE HG23 H 1 0.528 0.02 . 1 . . . . 15 ILE QG2 . 11080 1 127 . 1 1 15 15 ILE CA C 13 61.876 0.2 . 1 . . . . 15 ILE CA . 11080 1 128 . 1 1 15 15 ILE CB C 13 41.793 0.2 . 1 . . . . 15 ILE CB . 11080 1 129 . 1 1 15 15 ILE CD1 C 13 14.139 0.2 . 1 . . . . 15 ILE CD1 . 11080 1 130 . 1 1 15 15 ILE CG1 C 13 28.896 0.2 . 1 . . . . 15 ILE CG1 . 11080 1 131 . 1 1 15 15 ILE CG2 C 13 17.503 0.2 . 1 . . . . 15 ILE CG2 . 11080 1 132 . 1 1 15 15 ILE N N 15 121.809 0.2 . 1 . . . . 15 ILE N . 11080 1 133 . 1 1 16 16 LEU H H 1 7.632 0.02 . 1 . . . . 16 LEU H . 11080 1 134 . 1 1 16 16 LEU HA H 1 5.018 0.02 . 1 . . . . 16 LEU HA . 11080 1 135 . 1 1 16 16 LEU HB2 H 1 0.674 0.02 . 2 . . . . 16 LEU HB2 . 11080 1 136 . 1 1 16 16 LEU HB3 H 1 1.319 0.02 . 2 . . . . 16 LEU HB3 . 11080 1 137 . 1 1 16 16 LEU HD11 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD1 . 11080 1 138 . 1 1 16 16 LEU HD12 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD1 . 11080 1 139 . 1 1 16 16 LEU HD13 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD1 . 11080 1 140 . 1 1 16 16 LEU HD21 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD2 . 11080 1 141 . 1 1 16 16 LEU HD22 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD2 . 11080 1 142 . 1 1 16 16 LEU HD23 H 1 -0.138 0.02 . 1 . . . . 16 LEU QD2 . 11080 1 143 . 1 1 16 16 LEU HG H 1 1.021 0.02 . 1 . . . . 16 LEU HG . 11080 1 144 . 1 1 16 16 LEU CA C 13 52.663 0.2 . 1 . . . . 16 LEU CA . 11080 1 145 . 1 1 16 16 LEU CB C 13 45.016 0.2 . 1 . . . . 16 LEU CB . 11080 1 146 . 1 1 16 16 LEU CD1 C 13 19.593 0.2 . 2 . . . . 16 LEU CD1 . 11080 1 147 . 1 1 16 16 LEU CD2 C 13 19.712 0.2 . 2 . . . . 16 LEU CD2 . 11080 1 148 . 1 1 16 16 LEU CG C 13 26.793 0.2 . 1 . . . . 16 LEU CG . 11080 1 149 . 1 1 16 16 LEU N N 15 129.008 0.2 . 1 . . . . 16 LEU N . 11080 1 150 . 1 1 17 17 VAL H H 1 9.025 0.02 . 1 . . . . 17 VAL H . 11080 1 151 . 1 1 17 17 VAL HA H 1 4.959 0.02 . 1 . . . . 17 VAL HA . 11080 1 152 . 1 1 17 17 VAL HB H 1 2.530 0.02 . 1 . . . . 17 VAL HB . 11080 1 153 . 1 1 17 17 VAL HG11 H 1 0.688 0.02 . 1 . . . . 17 VAL QG1 . 11080 1 154 . 1 1 17 17 VAL HG12 H 1 0.688 0.02 . 1 . . . . 17 VAL QG1 . 11080 1 155 . 1 1 17 17 VAL HG13 H 1 0.688 0.02 . 1 . . . . 17 VAL QG1 . 11080 1 156 . 1 1 17 17 VAL HG21 H 1 0.762 0.02 . 1 . . . . 17 VAL QG2 . 11080 1 157 . 1 1 17 17 VAL HG22 H 1 0.762 0.02 . 1 . . . . 17 VAL QG2 . 11080 1 158 . 1 1 17 17 VAL HG23 H 1 0.762 0.02 . 1 . . . . 17 VAL QG2 . 11080 1 159 . 1 1 17 17 VAL CA C 13 58.841 0.2 . 1 . . . . 17 VAL CA . 11080 1 160 . 1 1 17 17 VAL CB C 13 34.789 0.2 . 1 . . . . 17 VAL CB . 11080 1 161 . 1 1 17 17 VAL CG1 C 13 22.373 0.2 . 2 . . . . 17 VAL CG1 . 11080 1 162 . 1 1 17 17 VAL CG2 C 13 18.892 0.2 . 2 . . . . 17 VAL CG2 . 11080 1 163 . 1 1 17 17 VAL N N 15 117.991 0.2 . 1 . . . . 17 VAL N . 11080 1 164 . 1 1 18 18 LYS H H 1 8.781 0.02 . 1 . . . . 18 LYS H . 11080 1 165 . 1 1 18 18 LYS HA H 1 4.401 0.02 . 1 . . . . 18 LYS HA . 11080 1 166 . 1 1 18 18 LYS HB2 H 1 2.014 0.02 . 2 . . . . 18 LYS HB2 . 11080 1 167 . 1 1 18 18 LYS HB3 H 1 1.985 0.02 . 2 . . . . 18 LYS HB3 . 11080 1 168 . 1 1 18 18 LYS HD2 H 1 1.797 0.02 . 2 . . . . 18 LYS HD2 . 11080 1 169 . 1 1 18 18 LYS HD3 H 1 1.647 0.02 . 2 . . . . 18 LYS HD3 . 11080 1 170 . 1 1 18 18 LYS HE2 H 1 3.065 0.02 . 2 . . . . 18 LYS HE2 . 11080 1 171 . 1 1 18 18 LYS HE3 H 1 3.019 0.02 . 2 . . . . 18 LYS HE3 . 11080 1 172 . 1 1 18 18 LYS HG2 H 1 1.532 0.02 . 2 . . . . 18 LYS HG2 . 11080 1 173 . 1 1 18 18 LYS HG3 H 1 1.682 0.02 . 2 . . . . 18 LYS HG3 . 11080 1 174 . 1 1 18 18 LYS CA C 13 59.373 0.2 . 1 . . . . 18 LYS CA . 11080 1 175 . 1 1 18 18 LYS CB C 13 34.310 0.2 . 1 . . . . 18 LYS CB . 11080 1 176 . 1 1 18 18 LYS CD C 13 28.767 0.2 . 1 . . . . 18 LYS CD . 11080 1 177 . 1 1 18 18 LYS CE C 13 42.270 0.2 . 1 . . . . 18 LYS CE . 11080 1 178 . 1 1 18 18 LYS CG C 13 25.644 0.2 . 1 . . . . 18 LYS CG . 11080 1 179 . 1 1 18 18 LYS N N 15 119.296 0.2 . 1 . . . . 18 LYS N . 11080 1 180 . 1 1 19 19 LYS H H 1 8.023 0.02 . 1 . . . . 19 LYS H . 11080 1 181 . 1 1 19 19 LYS HA H 1 4.835 0.02 . 1 . . . . 19 LYS HA . 11080 1 182 . 1 1 19 19 LYS HB2 H 1 1.560 0.02 . 2 . . . . 19 LYS HB2 . 11080 1 183 . 1 1 19 19 LYS HB3 H 1 2.055 0.02 . 2 . . . . 19 LYS HB3 . 11080 1 184 . 1 1 19 19 LYS HD2 H 1 1.664 0.02 . 2 . . . . 19 LYS HD2 . 11080 1 185 . 1 1 19 19 LYS HD3 H 1 1.745 0.02 . 2 . . . . 19 LYS HD3 . 11080 1 186 . 1 1 19 19 LYS HE2 H 1 3.019 0.02 . 2 . . . . 19 LYS HE2 . 11080 1 187 . 1 1 19 19 LYS HE3 H 1 3.007 0.02 . 2 . . . . 19 LYS HE3 . 11080 1 188 . 1 1 19 19 LYS HG2 H 1 1.447 0.02 . 2 . . . . 19 LYS HG2 . 11080 1 189 . 1 1 19 19 LYS HG3 H 1 1.430 0.02 . 2 . . . . 19 LYS HG3 . 11080 1 190 . 1 1 19 19 LYS CA C 13 54.725 0.2 . 1 . . . . 19 LYS CA . 11080 1 191 . 1 1 19 19 LYS CB C 13 35.804 0.2 . 1 . . . . 19 LYS CB . 11080 1 192 . 1 1 19 19 LYS CD C 13 29.293 0.2 . 1 . . . . 19 LYS CD . 11080 1 193 . 1 1 19 19 LYS CE C 13 42.206 0.2 . 1 . . . . 19 LYS CE . 11080 1 194 . 1 1 19 19 LYS CG C 13 25.125 0.2 . 1 . . . . 19 LYS CG . 11080 1 195 . 1 1 19 19 LYS N N 15 114.107 0.2 . 1 . . . . 19 LYS N . 11080 1 196 . 1 1 20 20 GLN H H 1 8.795 0.02 . 1 . . . . 20 GLN H . 11080 1 197 . 1 1 20 20 GLN HA H 1 4.854 0.02 . 1 . . . . 20 GLN HA . 11080 1 198 . 1 1 20 20 GLN HB2 H 1 1.519 0.02 . 2 . . . . 20 GLN HB2 . 11080 1 199 . 1 1 20 20 GLN HB3 H 1 1.787 0.02 . 2 . . . . 20 GLN HB3 . 11080 1 200 . 1 1 20 20 GLN HE21 H 1 6.851 0.02 . 2 . . . . 20 GLN HE21 . 11080 1 201 . 1 1 20 20 GLN HE22 H 1 7.458 0.02 . 2 . . . . 20 GLN HE22 . 11080 1 202 . 1 1 20 20 GLN HG2 H 1 1.894 0.02 . 2 . . . . 20 GLN HG2 . 11080 1 203 . 1 1 20 20 GLN HG3 H 1 1.990 0.02 . 2 . . . . 20 GLN HG3 . 11080 1 204 . 1 1 20 20 GLN CA C 13 59.435 0.2 . 1 . . . . 20 GLN CA . 11080 1 205 . 1 1 20 20 GLN CB C 13 27.969 0.2 . 1 . . . . 20 GLN CB . 11080 1 206 . 1 1 20 20 GLN CG C 13 33.246 0.2 . 1 . . . . 20 GLN CG . 11080 1 207 . 1 1 20 20 GLN N N 15 125.662 0.2 . 1 . . . . 20 GLN N . 11080 1 208 . 1 1 20 20 GLN NE2 N 15 110.455 0.2 . 1 . . . . 20 GLN NE2 . 11080 1 209 . 1 1 21 21 GLY HA2 H 1 3.670 0.02 . 2 . . . . 21 GLY HA2 . 11080 1 210 . 1 1 21 21 GLY HA3 H 1 3.890 0.02 . 2 . . . . 21 GLY HA3 . 11080 1 211 . 1 1 21 21 GLY CA C 13 46.997 0.2 . 1 . . . . 21 GLY CA . 11080 1 212 . 1 1 22 22 GLU H H 1 6.765 0.02 . 1 . . . . 22 GLU H . 11080 1 213 . 1 1 22 22 GLU HA H 1 4.115 0.02 . 1 . . . . 22 GLU HA . 11080 1 214 . 1 1 22 22 GLU HB2 H 1 2.541 0.02 . 2 . . . . 22 GLU HB2 . 11080 1 215 . 1 1 22 22 GLU HB3 H 1 1.873 0.02 . 2 . . . . 22 GLU HB3 . 11080 1 216 . 1 1 22 22 GLU HG2 H 1 2.305 0.02 . 2 . . . . 22 GLU HG2 . 11080 1 217 . 1 1 22 22 GLU HG3 H 1 2.279 0.02 . 2 . . . . 22 GLU HG3 . 11080 1 218 . 1 1 22 22 GLU CA C 13 58.122 0.2 . 1 . . . . 22 GLU CA . 11080 1 219 . 1 1 22 22 GLU CB C 13 29.716 0.2 . 1 . . . . 22 GLU CB . 11080 1 220 . 1 1 22 22 GLU CG C 13 37.242 0.2 . 1 . . . . 22 GLU CG . 11080 1 221 . 1 1 22 22 GLU N N 15 119.712 0.2 . 1 . . . . 22 GLU N . 11080 1 222 . 1 1 23 23 ALA H H 1 7.461 0.02 . 1 . . . . 23 ALA H . 11080 1 223 . 1 1 23 23 ALA HA H 1 3.768 0.02 . 1 . . . . 23 ALA HA . 11080 1 224 . 1 1 23 23 ALA HB1 H 1 1.204 0.02 . 1 . . . . 23 ALA QB . 11080 1 225 . 1 1 23 23 ALA HB2 H 1 1.204 0.02 . 1 . . . . 23 ALA QB . 11080 1 226 . 1 1 23 23 ALA HB3 H 1 1.204 0.02 . 1 . . . . 23 ALA QB . 11080 1 227 . 1 1 23 23 ALA CA C 13 54.905 0.2 . 1 . . . . 23 ALA CA . 11080 1 228 . 1 1 23 23 ALA CB C 13 17.803 0.2 . 1 . . . . 23 ALA CB . 11080 1 229 . 1 1 23 23 ALA N N 15 124.106 0.2 . 1 . . . . 23 ALA N . 11080 1 230 . 1 1 24 24 LEU H H 1 7.989 0.02 . 1 . . . . 24 LEU H . 11080 1 231 . 1 1 24 24 LEU HA H 1 4.179 0.02 . 1 . . . . 24 LEU HA . 11080 1 232 . 1 1 24 24 LEU HB2 H 1 1.614 0.02 . 2 . . . . 24 LEU HB2 . 11080 1 233 . 1 1 24 24 LEU HB3 H 1 1.764 0.02 . 2 . . . . 24 LEU HB3 . 11080 1 234 . 1 1 24 24 LEU HD11 H 1 0.889 0.02 . 1 . . . . 24 LEU QD1 . 11080 1 235 . 1 1 24 24 LEU HD12 H 1 0.889 0.02 . 1 . . . . 24 LEU QD1 . 11080 1 236 . 1 1 24 24 LEU HD13 H 1 0.889 0.02 . 1 . . . . 24 LEU QD1 . 11080 1 237 . 1 1 24 24 LEU HD21 H 1 0.895 0.02 . 1 . . . . 24 LEU QD2 . 11080 1 238 . 1 1 24 24 LEU HD22 H 1 0.895 0.02 . 1 . . . . 24 LEU QD2 . 11080 1 239 . 1 1 24 24 LEU HD23 H 1 0.895 0.02 . 1 . . . . 24 LEU QD2 . 11080 1 240 . 1 1 24 24 LEU HG H 1 1.672 0.02 . 1 . . . . 24 LEU HG . 11080 1 241 . 1 1 24 24 LEU CA C 13 57.837 0.2 . 1 . . . . 24 LEU CA . 11080 1 242 . 1 1 24 24 LEU CB C 13 41.204 0.2 . 1 . . . . 24 LEU CB . 11080 1 243 . 1 1 24 24 LEU CD1 C 13 25.196 0.2 . 2 . . . . 24 LEU CD1 . 11080 1 244 . 1 1 24 24 LEU CD2 C 13 23.202 0.2 . 2 . . . . 24 LEU CD2 . 11080 1 245 . 1 1 24 24 LEU CG C 13 27.336 0.2 . 1 . . . . 24 LEU CG . 11080 1 246 . 1 1 24 24 LEU N N 15 118.772 0.2 . 1 . . . . 24 LEU N . 11080 1 247 . 1 1 25 25 ALA H H 1 7.472 0.02 . 1 . . . . 25 ALA H . 11080 1 248 . 1 1 25 25 ALA HA H 1 4.196 0.02 . 1 . . . . 25 ALA HA . 11080 1 249 . 1 1 25 25 ALA HB1 H 1 1.477 0.02 . 1 . . . . 25 ALA QB . 11080 1 250 . 1 1 25 25 ALA HB2 H 1 1.477 0.02 . 1 . . . . 25 ALA QB . 11080 1 251 . 1 1 25 25 ALA HB3 H 1 1.477 0.02 . 1 . . . . 25 ALA QB . 11080 1 252 . 1 1 25 25 ALA CA C 13 55.196 0.2 . 1 . . . . 25 ALA CA . 11080 1 253 . 1 1 25 25 ALA CB C 13 17.897 0.2 . 1 . . . . 25 ALA CB . 11080 1 254 . 1 1 25 25 ALA N N 15 121.590 0.2 . 1 . . . . 25 ALA N . 11080 1 255 . 1 1 26 26 VAL H H 1 7.633 0.02 . 1 . . . . 26 VAL H . 11080 1 256 . 1 1 26 26 VAL HA H 1 3.270 0.02 . 1 . . . . 26 VAL HA . 11080 1 257 . 1 1 26 26 VAL HB H 1 2.389 0.02 . 1 . . . . 26 VAL HB . 11080 1 258 . 1 1 26 26 VAL HG11 H 1 0.943 0.02 . 1 . . . . 26 VAL QG1 . 11080 1 259 . 1 1 26 26 VAL HG12 H 1 0.943 0.02 . 1 . . . . 26 VAL QG1 . 11080 1 260 . 1 1 26 26 VAL HG13 H 1 0.943 0.02 . 1 . . . . 26 VAL QG1 . 11080 1 261 . 1 1 26 26 VAL HG21 H 1 0.704 0.02 . 1 . . . . 26 VAL QG2 . 11080 1 262 . 1 1 26 26 VAL HG22 H 1 0.704 0.02 . 1 . . . . 26 VAL QG2 . 11080 1 263 . 1 1 26 26 VAL HG23 H 1 0.704 0.02 . 1 . . . . 26 VAL QG2 . 11080 1 264 . 1 1 26 26 VAL CA C 13 67.307 0.2 . 1 . . . . 26 VAL CA . 11080 1 265 . 1 1 26 26 VAL CB C 13 31.412 0.2 . 1 . . . . 26 VAL CB . 11080 1 266 . 1 1 26 26 VAL CG1 C 13 24.496 0.2 . 2 . . . . 26 VAL CG1 . 11080 1 267 . 1 1 26 26 VAL CG2 C 13 22.701 0.2 . 2 . . . . 26 VAL CG2 . 11080 1 268 . 1 1 26 26 VAL N N 15 118.603 0.2 . 1 . . . . 26 VAL N . 11080 1 269 . 1 1 27 27 GLN H H 1 8.000 0.02 . 1 . . . . 27 GLN H . 11080 1 270 . 1 1 27 27 GLN HA H 1 3.956 0.02 . 1 . . . . 27 GLN HA . 11080 1 271 . 1 1 27 27 GLN HB2 H 1 2.294 0.02 . 2 . . . . 27 GLN HB2 . 11080 1 272 . 1 1 27 27 GLN HB3 H 1 2.316 0.02 . 2 . . . . 27 GLN HB3 . 11080 1 273 . 1 1 27 27 GLN HE21 H 1 7.071 0.02 . 2 . . . . 27 GLN HE21 . 11080 1 274 . 1 1 27 27 GLN HE22 H 1 7.693 0.02 . 2 . . . . 27 GLN HE22 . 11080 1 275 . 1 1 27 27 GLN HG2 H 1 2.514 0.02 . 2 . . . . 27 GLN HG2 . 11080 1 276 . 1 1 27 27 GLN HG3 H 1 2.238 0.02 . 2 . . . . 27 GLN HG3 . 11080 1 277 . 1 1 27 27 GLN CA C 13 60.299 0.2 . 1 . . . . 27 GLN CA . 11080 1 278 . 1 1 27 27 GLN CB C 13 29.820 0.2 . 1 . . . . 27 GLN CB . 11080 1 279 . 1 1 27 27 GLN CG C 13 34.510 0.2 . 1 . . . . 27 GLN CG . 11080 1 280 . 1 1 27 27 GLN N N 15 117.799 0.2 . 1 . . . . 27 GLN N . 11080 1 281 . 1 1 27 27 GLN NE2 N 15 111.362 0.2 . 1 . . . . 27 GLN NE2 . 11080 1 282 . 1 1 28 28 GLU H H 1 8.107 0.02 . 1 . . . . 28 GLU H . 11080 1 283 . 1 1 28 28 GLU HA H 1 4.017 0.02 . 1 . . . . 28 GLU HA . 11080 1 284 . 1 1 28 28 GLU HB2 H 1 2.131 0.02 . 2 . . . . 28 GLU HB2 . 11080 1 285 . 1 1 28 28 GLU HB3 H 1 2.178 0.02 . 2 . . . . 28 GLU HB3 . 11080 1 286 . 1 1 28 28 GLU HG2 H 1 2.333 0.02 . 2 . . . . 28 GLU HG2 . 11080 1 287 . 1 1 28 28 GLU HG3 H 1 2.396 0.02 . 2 . . . . 28 GLU HG3 . 11080 1 288 . 1 1 28 28 GLU CA C 13 59.575 0.2 . 1 . . . . 28 GLU CA . 11080 1 289 . 1 1 28 28 GLU CB C 13 29.610 0.2 . 1 . . . . 28 GLU CB . 11080 1 290 . 1 1 28 28 GLU CG C 13 36.183 0.2 . 1 . . . . 28 GLU CG . 11080 1 291 . 1 1 28 28 GLU N N 15 118.775 0.2 . 1 . . . . 28 GLU N . 11080 1 292 . 1 1 29 29 ARG H H 1 8.084 0.02 . 1 . . . . 29 ARG H . 11080 1 293 . 1 1 29 29 ARG HA H 1 4.126 0.02 . 1 . . . . 29 ARG HA . 11080 1 294 . 1 1 29 29 ARG HB2 H 1 1.669 0.02 . 2 . . . . 29 ARG HB2 . 11080 1 295 . 1 1 29 29 ARG HB3 H 1 1.980 0.02 . 2 . . . . 29 ARG HB3 . 11080 1 296 . 1 1 29 29 ARG HD2 H 1 3.270 0.02 . 2 . . . . 29 ARG HD2 . 11080 1 297 . 1 1 29 29 ARG HD3 H 1 3.297 0.02 . 2 . . . . 29 ARG HD3 . 11080 1 298 . 1 1 29 29 ARG HG2 H 1 2.128 0.02 . 2 . . . . 29 ARG HG2 . 11080 1 299 . 1 1 29 29 ARG HG3 H 1 2.151 0.02 . 2 . . . . 29 ARG HG3 . 11080 1 300 . 1 1 29 29 ARG CA C 13 60.074 0.2 . 1 . . . . 29 ARG CA . 11080 1 301 . 1 1 29 29 ARG CB C 13 31.381 0.2 . 1 . . . . 29 ARG CB . 11080 1 302 . 1 1 29 29 ARG CD C 13 43.939 0.2 . 1 . . . . 29 ARG CD . 11080 1 303 . 1 1 29 29 ARG CG C 13 27.580 0.2 . 1 . . . . 29 ARG CG . 11080 1 304 . 1 1 29 29 ARG N N 15 121.360 0.2 . 1 . . . . 29 ARG N . 11080 1 305 . 1 1 30 30 LEU H H 1 8.379 0.02 . 1 . . . . 30 LEU H . 11080 1 306 . 1 1 30 30 LEU HA H 1 4.335 0.02 . 1 . . . . 30 LEU HA . 11080 1 307 . 1 1 30 30 LEU HB2 H 1 2.076 0.02 . 2 . . . . 30 LEU HB2 . 11080 1 308 . 1 1 30 30 LEU HB3 H 1 1.525 0.02 . 2 . . . . 30 LEU HB3 . 11080 1 309 . 1 1 30 30 LEU HD11 H 1 0.941 0.02 . 1 . . . . 30 LEU QD1 . 11080 1 310 . 1 1 30 30 LEU HD12 H 1 0.941 0.02 . 1 . . . . 30 LEU QD1 . 11080 1 311 . 1 1 30 30 LEU HD13 H 1 0.941 0.02 . 1 . . . . 30 LEU QD1 . 11080 1 312 . 1 1 30 30 LEU HD21 H 1 0.589 0.02 . 1 . . . . 30 LEU QD2 . 11080 1 313 . 1 1 30 30 LEU HD22 H 1 0.589 0.02 . 1 . . . . 30 LEU QD2 . 11080 1 314 . 1 1 30 30 LEU HD23 H 1 0.589 0.02 . 1 . . . . 30 LEU QD2 . 11080 1 315 . 1 1 30 30 LEU HG H 1 0.940 0.02 . 1 . . . . 30 LEU HG . 11080 1 316 . 1 1 30 30 LEU CA C 13 57.672 0.2 . 1 . . . . 30 LEU CA . 11080 1 317 . 1 1 30 30 LEU CB C 13 41.740 0.2 . 1 . . . . 30 LEU CB . 11080 1 318 . 1 1 30 30 LEU CD1 C 13 24.044 0.2 . 2 . . . . 30 LEU CD1 . 11080 1 319 . 1 1 30 30 LEU CD2 C 13 26.852 0.2 . 2 . . . . 30 LEU CD2 . 11080 1 320 . 1 1 30 30 LEU CG C 13 27.992 0.2 . 1 . . . . 30 LEU CG . 11080 1 321 . 1 1 30 30 LEU N N 15 120.289 0.2 . 1 . . . . 30 LEU N . 11080 1 322 . 1 1 31 31 LYS H H 1 8.280 0.02 . 1 . . . . 31 LYS H . 11080 1 323 . 1 1 31 31 LYS HA H 1 4.053 0.02 . 1 . . . . 31 LYS HA . 11080 1 324 . 1 1 31 31 LYS HB2 H 1 1.951 0.02 . 2 . . . . 31 LYS HB2 . 11080 1 325 . 1 1 31 31 LYS HB3 H 1 1.982 0.02 . 2 . . . . 31 LYS HB3 . 11080 1 326 . 1 1 31 31 LYS HD2 H 1 1.686 0.02 . 2 . . . . 31 LYS HD2 . 11080 1 327 . 1 1 31 31 LYS HD3 H 1 1.704 0.02 . 2 . . . . 31 LYS HD3 . 11080 1 328 . 1 1 31 31 LYS HE2 H 1 3.022 0.02 . 2 . . . . 31 LYS HE2 . 11080 1 329 . 1 1 31 31 LYS HE3 H 1 2.957 0.02 . 2 . . . . 31 LYS HE3 . 11080 1 330 . 1 1 31 31 LYS HG2 H 1 1.504 0.02 . 2 . . . . 31 LYS HG2 . 11080 1 331 . 1 1 31 31 LYS HG3 H 1 1.681 0.02 . 2 . . . . 31 LYS HG3 . 11080 1 332 . 1 1 31 31 LYS CA C 13 59.429 0.2 . 1 . . . . 31 LYS CA . 11080 1 333 . 1 1 31 31 LYS CB C 13 32.319 0.2 . 1 . . . . 31 LYS CB . 11080 1 334 . 1 1 31 31 LYS CD C 13 29.278 0.2 . 1 . . . . 31 LYS CD . 11080 1 335 . 1 1 31 31 LYS CE C 13 42.315 0.2 . 1 . . . . 31 LYS CE . 11080 1 336 . 1 1 31 31 LYS CG C 13 25.770 0.2 . 1 . . . . 31 LYS CG . 11080 1 337 . 1 1 31 31 LYS N N 15 122.554 0.2 . 1 . . . . 31 LYS N . 11080 1 338 . 1 1 32 32 ALA H H 1 7.557 0.02 . 1 . . . . 32 ALA H . 11080 1 339 . 1 1 32 32 ALA HA H 1 4.378 0.02 . 1 . . . . 32 ALA HA . 11080 1 340 . 1 1 32 32 ALA HB1 H 1 1.618 0.02 . 1 . . . . 32 ALA QB . 11080 1 341 . 1 1 32 32 ALA HB2 H 1 1.618 0.02 . 1 . . . . 32 ALA QB . 11080 1 342 . 1 1 32 32 ALA HB3 H 1 1.618 0.02 . 1 . . . . 32 ALA QB . 11080 1 343 . 1 1 32 32 ALA CA C 13 52.576 0.2 . 1 . . . . 32 ALA CA . 11080 1 344 . 1 1 32 32 ALA CB C 13 18.821 0.2 . 1 . . . . 32 ALA CB . 11080 1 345 . 1 1 32 32 ALA N N 15 119.271 0.2 . 1 . . . . 32 ALA N . 11080 1 346 . 1 1 33 33 GLY H H 1 7.758 0.02 . 1 . . . . 33 GLY H . 11080 1 347 . 1 1 33 33 GLY HA2 H 1 4.431 0.02 . 2 . . . . 33 GLY HA2 . 11080 1 348 . 1 1 33 33 GLY HA3 H 1 3.667 0.02 . 2 . . . . 33 GLY HA3 . 11080 1 349 . 1 1 33 33 GLY CA C 13 44.745 0.2 . 1 . . . . 33 GLY CA . 11080 1 350 . 1 1 33 33 GLY N N 15 105.104 0.2 . 1 . . . . 33 GLY N . 11080 1 351 . 1 1 34 34 GLU H H 1 7.871 0.02 . 1 . . . . 34 GLU H . 11080 1 352 . 1 1 34 34 GLU HA H 1 4.279 0.02 . 1 . . . . 34 GLU HA . 11080 1 353 . 1 1 34 34 GLU HB2 H 1 1.652 0.02 . 2 . . . . 34 GLU HB2 . 11080 1 354 . 1 1 34 34 GLU HB3 H 1 1.917 0.02 . 2 . . . . 34 GLU HB3 . 11080 1 355 . 1 1 34 34 GLU HG2 H 1 2.411 0.02 . 2 . . . . 34 GLU HG2 . 11080 1 356 . 1 1 34 34 GLU HG3 H 1 2.144 0.02 . 2 . . . . 34 GLU HG3 . 11080 1 357 . 1 1 34 34 GLU CA C 13 58.172 0.2 . 1 . . . . 34 GLU CA . 11080 1 358 . 1 1 34 34 GLU CB C 13 30.736 0.2 . 1 . . . . 34 GLU CB . 11080 1 359 . 1 1 34 34 GLU CG C 13 38.486 0.2 . 1 . . . . 34 GLU CG . 11080 1 360 . 1 1 34 34 GLU N N 15 121.024 0.2 . 1 . . . . 34 GLU N . 11080 1 361 . 1 1 35 35 LYS H H 1 8.776 0.02 . 1 . . . . 35 LYS H . 11080 1 362 . 1 1 35 35 LYS HA H 1 4.265 0.02 . 1 . . . . 35 LYS HA . 11080 1 363 . 1 1 35 35 LYS HB2 H 1 1.812 0.02 . 2 . . . . 35 LYS HB2 . 11080 1 364 . 1 1 35 35 LYS HB3 H 1 2.038 0.02 . 2 . . . . 35 LYS HB3 . 11080 1 365 . 1 1 35 35 LYS HD2 H 1 1.588 0.02 . 2 . . . . 35 LYS HD2 . 11080 1 366 . 1 1 35 35 LYS HD3 H 1 1.552 0.02 . 2 . . . . 35 LYS HD3 . 11080 1 367 . 1 1 35 35 LYS HE2 H 1 3.064 0.02 . 2 . . . . 35 LYS HE2 . 11080 1 368 . 1 1 35 35 LYS HE3 H 1 3.084 0.02 . 2 . . . . 35 LYS HE3 . 11080 1 369 . 1 1 35 35 LYS HG2 H 1 1.716 0.02 . 2 . . . . 35 LYS HG2 . 11080 1 370 . 1 1 35 35 LYS HG3 H 1 1.586 0.02 . 2 . . . . 35 LYS HG3 . 11080 1 371 . 1 1 35 35 LYS CA C 13 56.317 0.2 . 1 . . . . 35 LYS CA . 11080 1 372 . 1 1 35 35 LYS CB C 13 33.062 0.2 . 1 . . . . 35 LYS CB . 11080 1 373 . 1 1 35 35 LYS CD C 13 28.634 0.2 . 1 . . . . 35 LYS CD . 11080 1 374 . 1 1 35 35 LYS CE C 13 42.583 0.2 . 1 . . . . 35 LYS CE . 11080 1 375 . 1 1 35 35 LYS CG C 13 25.319 0.2 . 1 . . . . 35 LYS CG . 11080 1 376 . 1 1 35 35 LYS N N 15 121.214 0.2 . 1 . . . . 35 LYS N . 11080 1 377 . 1 1 36 36 PHE H H 1 8.972 0.02 . 1 . . . . 36 PHE H . 11080 1 378 . 1 1 36 36 PHE HA H 1 3.643 0.02 . 1 . . . . 36 PHE HA . 11080 1 379 . 1 1 36 36 PHE HB2 H 1 3.232 0.02 . 2 . . . . 36 PHE HB2 . 11080 1 380 . 1 1 36 36 PHE HB3 H 1 3.083 0.02 . 2 . . . . 36 PHE HB3 . 11080 1 381 . 1 1 36 36 PHE HD1 H 1 7.043 0.02 . 3 . . . . 36 PHE QD . 11080 1 382 . 1 1 36 36 PHE HD2 H 1 7.043 0.02 . 3 . . . . 36 PHE QD . 11080 1 383 . 1 1 36 36 PHE CA C 13 62.830 0.2 . 1 . . . . 36 PHE CA . 11080 1 384 . 1 1 36 36 PHE CB C 13 40.295 0.2 . 1 . . . . 36 PHE CB . 11080 1 385 . 1 1 36 36 PHE CD1 C 13 131.899 0.2 . 3 . . . . 36 PHE CD1 . 11080 1 386 . 1 1 36 36 PHE CD2 C 13 131.898 0.2 . 3 . . . . 36 PHE CD2 . 11080 1 387 . 1 1 36 36 PHE N N 15 125.726 0.2 . 1 . . . . 36 PHE N . 11080 1 388 . 1 1 37 37 GLY H H 1 9.123 0.02 . 1 . . . . 37 GLY H . 11080 1 389 . 1 1 37 37 GLY HA2 H 1 3.801 0.02 . 2 . . . . 37 GLY HA2 . 11080 1 390 . 1 1 37 37 GLY HA3 H 1 3.957 0.02 . 2 . . . . 37 GLY HA3 . 11080 1 391 . 1 1 37 37 GLY CA C 13 47.345 0.2 . 1 . . . . 37 GLY CA . 11080 1 392 . 1 1 37 37 GLY N N 15 103.959 0.2 . 1 . . . . 37 GLY N . 11080 1 393 . 1 1 38 38 LYS H H 1 6.683 0.02 . 1 . . . . 38 LYS H . 11080 1 394 . 1 1 38 38 LYS HA H 1 4.058 0.02 . 1 . . . . 38 LYS HA . 11080 1 395 . 1 1 38 38 LYS HB2 H 1 1.905 0.02 . 2 . . . . 38 LYS HB2 . 11080 1 396 . 1 1 38 38 LYS HB3 H 1 1.995 0.02 . 2 . . . . 38 LYS HB3 . 11080 1 397 . 1 1 38 38 LYS HD2 H 1 1.766 0.02 . 2 . . . . 38 LYS HD2 . 11080 1 398 . 1 1 38 38 LYS HD3 H 1 1.690 0.02 . 2 . . . . 38 LYS HD3 . 11080 1 399 . 1 1 38 38 LYS HE2 H 1 2.967 0.02 . 2 . . . . 38 LYS HE2 . 11080 1 400 . 1 1 38 38 LYS HE3 H 1 2.943 0.02 . 2 . . . . 38 LYS HE3 . 11080 1 401 . 1 1 38 38 LYS HG2 H 1 1.361 0.02 . 2 . . . . 38 LYS HG2 . 11080 1 402 . 1 1 38 38 LYS HG3 H 1 1.594 0.02 . 2 . . . . 38 LYS HG3 . 11080 1 403 . 1 1 38 38 LYS CA C 13 59.029 0.2 . 1 . . . . 38 LYS CA . 11080 1 404 . 1 1 38 38 LYS CB C 13 32.655 0.2 . 1 . . . . 38 LYS CB . 11080 1 405 . 1 1 38 38 LYS CD C 13 29.522 0.2 . 1 . . . . 38 LYS CD . 11080 1 406 . 1 1 38 38 LYS CE C 13 42.257 0.2 . 1 . . . . 38 LYS CE . 11080 1 407 . 1 1 38 38 LYS CG C 13 25.219 0.2 . 1 . . . . 38 LYS CG . 11080 1 408 . 1 1 38 38 LYS N N 15 120.432 0.2 . 1 . . . . 38 LYS N . 11080 1 409 . 1 1 39 39 LEU H H 1 7.754 0.02 . 1 . . . . 39 LEU H . 11080 1 410 . 1 1 39 39 LEU HA H 1 3.907 0.02 . 1 . . . . 39 LEU HA . 11080 1 411 . 1 1 39 39 LEU HB2 H 1 1.620 0.02 . 2 . . . . 39 LEU HB2 . 11080 1 412 . 1 1 39 39 LEU HB3 H 1 0.988 0.02 . 2 . . . . 39 LEU HB3 . 11080 1 413 . 1 1 39 39 LEU HD11 H 1 -0.082 0.02 . 1 . . . . 39 LEU QD1 . 11080 1 414 . 1 1 39 39 LEU HD12 H 1 -0.082 0.02 . 1 . . . . 39 LEU QD1 . 11080 1 415 . 1 1 39 39 LEU HD13 H 1 -0.082 0.02 . 1 . . . . 39 LEU QD1 . 11080 1 416 . 1 1 39 39 LEU HD21 H 1 0.600 0.02 . 1 . . . . 39 LEU QD2 . 11080 1 417 . 1 1 39 39 LEU HD22 H 1 0.600 0.02 . 1 . . . . 39 LEU QD2 . 11080 1 418 . 1 1 39 39 LEU HD23 H 1 0.600 0.02 . 1 . . . . 39 LEU QD2 . 11080 1 419 . 1 1 39 39 LEU HG H 1 1.552 0.02 . 1 . . . . 39 LEU HG . 11080 1 420 . 1 1 39 39 LEU CA C 13 57.614 0.2 . 1 . . . . 39 LEU CA . 11080 1 421 . 1 1 39 39 LEU CB C 13 41.744 0.2 . 1 . . . . 39 LEU CB . 11080 1 422 . 1 1 39 39 LEU CD1 C 13 14.288 0.2 . 2 . . . . 39 LEU CD1 . 11080 1 423 . 1 1 39 39 LEU CD2 C 13 23.376 0.2 . 2 . . . . 39 LEU CD2 . 11080 1 424 . 1 1 39 39 LEU CG C 13 26.819 0.2 . 1 . . . . 39 LEU CG . 11080 1 425 . 1 1 39 39 LEU N N 15 119.598 0.2 . 1 . . . . 39 LEU N . 11080 1 426 . 1 1 40 40 ALA H H 1 8.437 0.02 . 1 . . . . 40 ALA H . 11080 1 427 . 1 1 40 40 ALA HA H 1 3.772 0.02 . 1 . . . . 40 ALA HA . 11080 1 428 . 1 1 40 40 ALA HB1 H 1 1.294 0.02 . 1 . . . . 40 ALA QB . 11080 1 429 . 1 1 40 40 ALA HB2 H 1 1.294 0.02 . 1 . . . . 40 ALA QB . 11080 1 430 . 1 1 40 40 ALA HB3 H 1 1.294 0.02 . 1 . . . . 40 ALA QB . 11080 1 431 . 1 1 40 40 ALA CA C 13 55.875 0.2 . 1 . . . . 40 ALA CA . 11080 1 432 . 1 1 40 40 ALA CB C 13 17.185 0.2 . 1 . . . . 40 ALA CB . 11080 1 433 . 1 1 40 40 ALA N N 15 121.385 0.2 . 1 . . . . 40 ALA N . 11080 1 434 . 1 1 41 41 LYS H H 1 7.681 0.02 . 1 . . . . 41 LYS H . 11080 1 435 . 1 1 41 41 LYS HA H 1 3.922 0.02 . 1 . . . . 41 LYS HA . 11080 1 436 . 1 1 41 41 LYS HB2 H 1 1.914 0.02 . 2 . . . . 41 LYS HB2 . 11080 1 437 . 1 1 41 41 LYS HB3 H 1 2.007 0.02 . 2 . . . . 41 LYS HB3 . 11080 1 438 . 1 1 41 41 LYS HD2 H 1 1.771 0.02 . 2 . . . . 41 LYS HD2 . 11080 1 439 . 1 1 41 41 LYS HD3 H 1 1.743 0.02 . 2 . . . . 41 LYS HD3 . 11080 1 440 . 1 1 41 41 LYS HE2 H 1 3.032 0.02 . 2 . . . . 41 LYS HE2 . 11080 1 441 . 1 1 41 41 LYS HE3 H 1 2.997 0.02 . 2 . . . . 41 LYS HE3 . 11080 1 442 . 1 1 41 41 LYS HG2 H 1 1.585 0.02 . 2 . . . . 41 LYS HG2 . 11080 1 443 . 1 1 41 41 LYS HG3 H 1 1.513 0.02 . 2 . . . . 41 LYS HG3 . 11080 1 444 . 1 1 41 41 LYS CA C 13 59.759 0.2 . 1 . . . . 41 LYS CA . 11080 1 445 . 1 1 41 41 LYS CB C 13 32.611 0.2 . 1 . . . . 41 LYS CB . 11080 1 446 . 1 1 41 41 LYS CD C 13 29.641 0.2 . 1 . . . . 41 LYS CD . 11080 1 447 . 1 1 41 41 LYS CE C 13 42.159 0.2 . 1 . . . . 41 LYS CE . 11080 1 448 . 1 1 41 41 LYS CG C 13 25.618 0.2 . 1 . . . . 41 LYS CG . 11080 1 449 . 1 1 41 41 LYS N N 15 116.991 0.2 . 1 . . . . 41 LYS N . 11080 1 450 . 1 1 42 42 GLU H H 1 7.796 0.02 . 1 . . . . 42 GLU H . 11080 1 451 . 1 1 42 42 GLU HA H 1 4.028 0.02 . 1 . . . . 42 GLU HA . 11080 1 452 . 1 1 42 42 GLU HB2 H 1 2.105 0.02 . 2 . . . . 42 GLU HB2 . 11080 1 453 . 1 1 42 42 GLU HB3 H 1 1.947 0.02 . 2 . . . . 42 GLU HB3 . 11080 1 454 . 1 1 42 42 GLU HG2 H 1 2.027 0.02 . 2 . . . . 42 GLU HG2 . 11080 1 455 . 1 1 42 42 GLU HG3 H 1 2.397 0.02 . 2 . . . . 42 GLU HG3 . 11080 1 456 . 1 1 42 42 GLU CA C 13 59.060 0.2 . 1 . . . . 42 GLU CA . 11080 1 457 . 1 1 42 42 GLU CB C 13 31.495 0.2 . 1 . . . . 42 GLU CB . 11080 1 458 . 1 1 42 42 GLU CG C 13 36.084 0.2 . 1 . . . . 42 GLU CG . 11080 1 459 . 1 1 42 42 GLU N N 15 117.121 0.2 . 1 . . . . 42 GLU N . 11080 1 460 . 1 1 43 43 LEU H H 1 8.305 0.02 . 1 . . . . 43 LEU H . 11080 1 461 . 1 1 43 43 LEU HA H 1 4.539 0.02 . 1 . . . . 43 LEU HA . 11080 1 462 . 1 1 43 43 LEU HB2 H 1 1.262 0.02 . 2 . . . . 43 LEU HB2 . 11080 1 463 . 1 1 43 43 LEU HB3 H 1 1.590 0.02 . 2 . . . . 43 LEU HB3 . 11080 1 464 . 1 1 43 43 LEU HD11 H 1 0.677 0.02 . 1 . . . . 43 LEU QD1 . 11080 1 465 . 1 1 43 43 LEU HD12 H 1 0.677 0.02 . 1 . . . . 43 LEU QD1 . 11080 1 466 . 1 1 43 43 LEU HD13 H 1 0.677 0.02 . 1 . . . . 43 LEU QD1 . 11080 1 467 . 1 1 43 43 LEU HD21 H 1 0.797 0.02 . 1 . . . . 43 LEU QD2 . 11080 1 468 . 1 1 43 43 LEU HD22 H 1 0.797 0.02 . 1 . . . . 43 LEU QD2 . 11080 1 469 . 1 1 43 43 LEU HD23 H 1 0.797 0.02 . 1 . . . . 43 LEU QD2 . 11080 1 470 . 1 1 43 43 LEU HG H 1 1.549 0.02 . 1 . . . . 43 LEU HG . 11080 1 471 . 1 1 43 43 LEU CA C 13 55.177 0.2 . 1 . . . . 43 LEU CA . 11080 1 472 . 1 1 43 43 LEU CB C 13 45.062 0.2 . 1 . . . . 43 LEU CB . 11080 1 473 . 1 1 43 43 LEU CD1 C 13 23.333 0.2 . 2 . . . . 43 LEU CD1 . 11080 1 474 . 1 1 43 43 LEU CD2 C 13 26.610 0.2 . 2 . . . . 43 LEU CD2 . 11080 1 475 . 1 1 43 43 LEU CG C 13 26.774 0.2 . 1 . . . . 43 LEU CG . 11080 1 476 . 1 1 43 43 LEU N N 15 112.754 0.2 . 1 . . . . 43 LEU N . 11080 1 477 . 1 1 44 44 SER H H 1 8.255 0.02 . 1 . . . . 44 SER H . 11080 1 478 . 1 1 44 44 SER HA H 1 4.707 0.02 . 1 . . . . 44 SER HA . 11080 1 479 . 1 1 44 44 SER HB2 H 1 3.767 0.02 . 2 . . . . 44 SER HB2 . 11080 1 480 . 1 1 44 44 SER HB3 H 1 4.209 0.02 . 2 . . . . 44 SER HB3 . 11080 1 481 . 1 1 44 44 SER CA C 13 57.490 0.2 . 1 . . . . 44 SER CA . 11080 1 482 . 1 1 44 44 SER CB C 13 65.461 0.2 . 1 . . . . 44 SER CB . 11080 1 483 . 1 1 44 44 SER N N 15 110.514 0.2 . 1 . . . . 44 SER N . 11080 1 484 . 1 1 45 45 ILE H H 1 9.238 0.02 . 1 . . . . 45 ILE H . 11080 1 485 . 1 1 45 45 ILE HA H 1 4.419 0.02 . 1 . . . . 45 ILE HA . 11080 1 486 . 1 1 45 45 ILE HB H 1 2.281 0.02 . 1 . . . . 45 ILE HB . 11080 1 487 . 1 1 45 45 ILE HD11 H 1 0.814 0.02 . 1 . . . . 45 ILE QD1 . 11080 1 488 . 1 1 45 45 ILE HD12 H 1 0.814 0.02 . 1 . . . . 45 ILE QD1 . 11080 1 489 . 1 1 45 45 ILE HD13 H 1 0.814 0.02 . 1 . . . . 45 ILE QD1 . 11080 1 490 . 1 1 45 45 ILE HG12 H 1 1.026 0.02 . 2 . . . . 45 ILE HG12 . 11080 1 491 . 1 1 45 45 ILE HG13 H 1 0.967 0.02 . 2 . . . . 45 ILE HG13 . 11080 1 492 . 1 1 45 45 ILE HG21 H 1 1.068 0.02 . 1 . . . . 45 ILE QG2 . 11080 1 493 . 1 1 45 45 ILE HG22 H 1 1.068 0.02 . 1 . . . . 45 ILE QG2 . 11080 1 494 . 1 1 45 45 ILE HG23 H 1 1.068 0.02 . 1 . . . . 45 ILE QG2 . 11080 1 495 . 1 1 45 45 ILE CA C 13 61.859 0.2 . 1 . . . . 45 ILE CA . 11080 1 496 . 1 1 45 45 ILE CB C 13 37.129 0.2 . 1 . . . . 45 ILE CB . 11080 1 497 . 1 1 45 45 ILE CD1 C 13 13.747 0.2 . 1 . . . . 45 ILE CD1 . 11080 1 498 . 1 1 45 45 ILE CG1 C 13 25.450 0.2 . 1 . . . . 45 ILE CG1 . 11080 1 499 . 1 1 45 45 ILE CG2 C 13 17.237 0.2 . 1 . . . . 45 ILE CG2 . 11080 1 500 . 1 1 45 45 ILE N N 15 120.438 0.2 . 1 . . . . 45 ILE N . 11080 1 501 . 1 1 46 46 ASP H H 1 7.488 0.02 . 1 . . . . 46 ASP H . 11080 1 502 . 1 1 46 46 ASP HA H 1 4.378 0.02 . 1 . . . . 46 ASP HA . 11080 1 503 . 1 1 46 46 ASP HB2 H 1 2.419 0.02 . 2 . . . . 46 ASP HB2 . 11080 1 504 . 1 1 46 46 ASP HB3 H 1 2.597 0.02 . 2 . . . . 46 ASP HB3 . 11080 1 505 . 1 1 46 46 ASP CA C 13 52.752 0.2 . 1 . . . . 46 ASP CA . 11080 1 506 . 1 1 46 46 ASP CB C 13 40.416 0.2 . 1 . . . . 46 ASP CB . 11080 1 507 . 1 1 46 46 ASP N N 15 120.068 0.2 . 1 . . . . 46 ASP N . 11080 1 508 . 1 1 47 47 GLY H H 1 8.562 0.02 . 1 . . . . 47 GLY H . 11080 1 509 . 1 1 47 47 GLY HA2 H 1 3.918 0.02 . 2 . . . . 47 GLY QA . 11080 1 510 . 1 1 47 47 GLY HA3 H 1 3.918 0.02 . 2 . . . . 47 GLY QA . 11080 1 511 . 1 1 47 47 GLY CA C 13 47.318 0.2 . 1 . . . . 47 GLY CA . 11080 1 512 . 1 1 47 47 GLY N N 15 114.910 0.2 . 1 . . . . 47 GLY N . 11080 1 513 . 1 1 48 48 GLY H H 1 8.328 0.02 . 1 . . . . 48 GLY H . 11080 1 514 . 1 1 48 48 GLY HA2 H 1 3.924 0.02 . 2 . . . . 48 GLY QA . 11080 1 515 . 1 1 48 48 GLY HA3 H 1 3.924 0.02 . 2 . . . . 48 GLY QA . 11080 1 516 . 1 1 48 48 GLY CA C 13 46.626 0.2 . 1 . . . . 48 GLY CA . 11080 1 517 . 1 1 48 48 GLY N N 15 106.725 0.2 . 1 . . . . 48 GLY N . 11080 1 518 . 1 1 49 49 SER H H 1 7.255 0.02 . 1 . . . . 49 SER H . 11080 1 519 . 1 1 49 49 SER HA H 1 4.560 0.02 . 1 . . . . 49 SER HA . 11080 1 520 . 1 1 49 49 SER HB2 H 1 3.774 0.02 . 2 . . . . 49 SER HB2 . 11080 1 521 . 1 1 49 49 SER HB3 H 1 3.710 0.02 . 2 . . . . 49 SER HB3 . 11080 1 522 . 1 1 49 49 SER CA C 13 59.559 0.2 . 1 . . . . 49 SER CA . 11080 1 523 . 1 1 49 49 SER CB C 13 65.469 0.2 . 1 . . . . 49 SER CB . 11080 1 524 . 1 1 49 49 SER N N 15 110.646 0.2 . 1 . . . . 49 SER N . 11080 1 525 . 1 1 50 50 ALA H H 1 8.571 0.02 . 1 . . . . 50 ALA H . 11080 1 526 . 1 1 50 50 ALA HA H 1 3.826 0.02 . 1 . . . . 50 ALA HA . 11080 1 527 . 1 1 50 50 ALA HB1 H 1 1.457 0.02 . 1 . . . . 50 ALA QB . 11080 1 528 . 1 1 50 50 ALA HB2 H 1 1.457 0.02 . 1 . . . . 50 ALA QB . 11080 1 529 . 1 1 50 50 ALA HB3 H 1 1.457 0.02 . 1 . . . . 50 ALA QB . 11080 1 530 . 1 1 50 50 ALA CA C 13 56.870 0.2 . 1 . . . . 50 ALA CA . 11080 1 531 . 1 1 50 50 ALA CB C 13 19.385 0.2 . 1 . . . . 50 ALA CB . 11080 1 532 . 1 1 50 50 ALA N N 15 130.821 0.2 . 1 . . . . 50 ALA N . 11080 1 533 . 1 1 51 51 LYS H H 1 7.761 0.02 . 1 . . . . 51 LYS H . 11080 1 534 . 1 1 51 51 LYS HA H 1 4.237 0.02 . 1 . . . . 51 LYS HA . 11080 1 535 . 1 1 51 51 LYS HB2 H 1 2.007 0.02 . 2 . . . . 51 LYS HB2 . 11080 1 536 . 1 1 51 51 LYS HB3 H 1 1.890 0.02 . 2 . . . . 51 LYS HB3 . 11080 1 537 . 1 1 51 51 LYS HD2 H 1 1.680 0.02 . 2 . . . . 51 LYS HD2 . 11080 1 538 . 1 1 51 51 LYS HD3 H 1 1.762 0.02 . 2 . . . . 51 LYS HD3 . 11080 1 539 . 1 1 51 51 LYS HE2 H 1 3.021 0.02 . 2 . . . . 51 LYS HE2 . 11080 1 540 . 1 1 51 51 LYS HE3 H 1 3.054 0.02 . 2 . . . . 51 LYS HE3 . 11080 1 541 . 1 1 51 51 LYS HG2 H 1 1.532 0.02 . 2 . . . . 51 LYS HG2 . 11080 1 542 . 1 1 51 51 LYS HG3 H 1 1.557 0.02 . 2 . . . . 51 LYS HG3 . 11080 1 543 . 1 1 51 51 LYS CA C 13 57.587 0.2 . 1 . . . . 51 LYS CA . 11080 1 544 . 1 1 51 51 LYS CB C 13 32.118 0.2 . 1 . . . . 51 LYS CB . 11080 1 545 . 1 1 51 51 LYS CD C 13 29.265 0.2 . 1 . . . . 51 LYS CD . 11080 1 546 . 1 1 51 51 LYS CE C 13 42.466 0.2 . 1 . . . . 51 LYS CE . 11080 1 547 . 1 1 51 51 LYS CG C 13 25.155 0.2 . 1 . . . . 51 LYS CG . 11080 1 548 . 1 1 51 51 LYS N N 15 110.700 0.2 . 1 . . . . 51 LYS N . 11080 1 549 . 1 1 52 52 ARG H H 1 7.650 0.02 . 1 . . . . 52 ARG H . 11080 1 550 . 1 1 52 52 ARG HA H 1 4.787 0.02 . 1 . . . . 52 ARG HA . 11080 1 551 . 1 1 52 52 ARG HB2 H 1 2.126 0.02 . 2 . . . . 52 ARG HB2 . 11080 1 552 . 1 1 52 52 ARG HB3 H 1 1.837 0.02 . 2 . . . . 52 ARG HB3 . 11080 1 553 . 1 1 52 52 ARG HD2 H 1 3.303 0.02 . 2 . . . . 52 ARG HD2 . 11080 1 554 . 1 1 52 52 ARG HD3 H 1 3.275 0.02 . 2 . . . . 52 ARG HD3 . 11080 1 555 . 1 1 52 52 ARG HG2 H 1 1.604 0.02 . 2 . . . . 52 ARG HG2 . 11080 1 556 . 1 1 52 52 ARG HG3 H 1 1.705 0.02 . 2 . . . . 52 ARG HG3 . 11080 1 557 . 1 1 52 52 ARG CA C 13 54.202 0.2 . 1 . . . . 52 ARG CA . 11080 1 558 . 1 1 52 52 ARG CB C 13 29.504 0.2 . 1 . . . . 52 ARG CB . 11080 1 559 . 1 1 52 52 ARG CD C 13 43.769 0.2 . 1 . . . . 52 ARG CD . 11080 1 560 . 1 1 52 52 ARG CG C 13 27.358 0.2 . 1 . . . . 52 ARG CG . 11080 1 561 . 1 1 52 52 ARG N N 15 120.280 0.2 . 1 . . . . 52 ARG N . 11080 1 562 . 1 1 53 53 ASP H H 1 8.157 0.02 . 1 . . . . 53 ASP H . 11080 1 563 . 1 1 53 53 ASP HA H 1 4.401 0.02 . 1 . . . . 53 ASP HA . 11080 1 564 . 1 1 53 53 ASP HB2 H 1 3.032 0.02 . 2 . . . . 53 ASP HB2 . 11080 1 565 . 1 1 53 53 ASP HB3 H 1 2.988 0.02 . 2 . . . . 53 ASP HB3 . 11080 1 566 . 1 1 53 53 ASP CA C 13 56.347 0.2 . 1 . . . . 53 ASP CA . 11080 1 567 . 1 1 53 53 ASP CB C 13 38.622 0.2 . 1 . . . . 53 ASP CB . 11080 1 568 . 1 1 53 53 ASP N N 15 117.809 0.2 . 1 . . . . 53 ASP N . 11080 1 569 . 1 1 54 54 GLY H H 1 8.279 0.02 . 1 . . . . 54 GLY H . 11080 1 570 . 1 1 54 54 GLY HA2 H 1 3.742 0.02 . 2 . . . . 54 GLY HA2 . 11080 1 571 . 1 1 54 54 GLY HA3 H 1 4.437 0.02 . 2 . . . . 54 GLY HA3 . 11080 1 572 . 1 1 54 54 GLY CA C 13 45.628 0.2 . 1 . . . . 54 GLY CA . 11080 1 573 . 1 1 54 54 GLY N N 15 104.041 0.2 . 1 . . . . 54 GLY N . 11080 1 574 . 1 1 55 55 SER H H 1 7.524 0.02 . 1 . . . . 55 SER H . 11080 1 575 . 1 1 55 55 SER HA H 1 4.578 0.02 . 1 . . . . 55 SER HA . 11080 1 576 . 1 1 55 55 SER HB2 H 1 3.988 0.02 . 2 . . . . 55 SER HB2 . 11080 1 577 . 1 1 55 55 SER HB3 H 1 3.942 0.02 . 2 . . . . 55 SER HB3 . 11080 1 578 . 1 1 55 55 SER CA C 13 59.851 0.2 . 1 . . . . 55 SER CA . 11080 1 579 . 1 1 55 55 SER CB C 13 64.102 0.2 . 1 . . . . 55 SER CB . 11080 1 580 . 1 1 55 55 SER N N 15 113.436 0.2 . 1 . . . . 55 SER N . 11080 1 581 . 1 1 56 56 LEU H H 1 8.818 0.02 . 1 . . . . 56 LEU H . 11080 1 582 . 1 1 56 56 LEU HA H 1 4.491 0.02 . 1 . . . . 56 LEU HA . 11080 1 583 . 1 1 56 56 LEU HB2 H 1 1.784 0.02 . 2 . . . . 56 LEU HB2 . 11080 1 584 . 1 1 56 56 LEU HB3 H 1 1.462 0.02 . 2 . . . . 56 LEU HB3 . 11080 1 585 . 1 1 56 56 LEU HD11 H 1 0.178 0.02 . 1 . . . . 56 LEU QD1 . 11080 1 586 . 1 1 56 56 LEU HD12 H 1 0.178 0.02 . 1 . . . . 56 LEU QD1 . 11080 1 587 . 1 1 56 56 LEU HD13 H 1 0.178 0.02 . 1 . . . . 56 LEU QD1 . 11080 1 588 . 1 1 56 56 LEU HD21 H 1 0.591 0.02 . 1 . . . . 56 LEU QD2 . 11080 1 589 . 1 1 56 56 LEU HD22 H 1 0.591 0.02 . 1 . . . . 56 LEU QD2 . 11080 1 590 . 1 1 56 56 LEU HD23 H 1 0.591 0.02 . 1 . . . . 56 LEU QD2 . 11080 1 591 . 1 1 56 56 LEU HG H 1 1.675 0.02 . 1 . . . . 56 LEU HG . 11080 1 592 . 1 1 56 56 LEU CA C 13 54.138 0.2 . 1 . . . . 56 LEU CA . 11080 1 593 . 1 1 56 56 LEU CB C 13 43.260 0.2 . 1 . . . . 56 LEU CB . 11080 1 594 . 1 1 56 56 LEU CD1 C 13 26.619 0.2 . 2 . . . . 56 LEU CD1 . 11080 1 595 . 1 1 56 56 LEU CD2 C 13 22.649 0.2 . 2 . . . . 56 LEU CD2 . 11080 1 596 . 1 1 56 56 LEU CG C 13 26.619 0.2 . 1 . . . . 56 LEU CG . 11080 1 597 . 1 1 56 56 LEU N N 15 126.328 0.2 . 1 . . . . 56 LEU N . 11080 1 598 . 1 1 57 57 GLY H H 1 8.072 0.02 . 1 . . . . 57 GLY H . 11080 1 599 . 1 1 57 57 GLY HA2 H 1 4.226 0.02 . 2 . . . . 57 GLY HA2 . 11080 1 600 . 1 1 57 57 GLY HA3 H 1 3.550 0.02 . 2 . . . . 57 GLY HA3 . 11080 1 601 . 1 1 57 57 GLY CA C 13 45.195 0.2 . 1 . . . . 57 GLY CA . 11080 1 602 . 1 1 57 57 GLY N N 15 107.077 0.2 . 1 . . . . 57 GLY N . 11080 1 603 . 1 1 58 58 TYR H H 1 8.348 0.02 . 1 . . . . 58 TYR H . 11080 1 604 . 1 1 58 58 TYR HA H 1 5.191 0.02 . 1 . . . . 58 TYR HA . 11080 1 605 . 1 1 58 58 TYR HB2 H 1 2.500 0.02 . 2 . . . . 58 TYR HB2 . 11080 1 606 . 1 1 58 58 TYR HB3 H 1 2.827 0.02 . 2 . . . . 58 TYR HB3 . 11080 1 607 . 1 1 58 58 TYR HD1 H 1 6.789 0.02 . 3 . . . . 58 TYR QD . 11080 1 608 . 1 1 58 58 TYR HD2 H 1 6.789 0.02 . 3 . . . . 58 TYR QD . 11080 1 609 . 1 1 58 58 TYR HE1 H 1 6.690 0.02 . 3 . . . . 58 TYR QE . 11080 1 610 . 1 1 58 58 TYR HE2 H 1 6.690 0.02 . 3 . . . . 58 TYR QE . 11080 1 611 . 1 1 58 58 TYR CA C 13 57.850 0.2 . 1 . . . . 58 TYR CA . 11080 1 612 . 1 1 58 58 TYR CB C 13 40.674 0.2 . 1 . . . . 58 TYR CB . 11080 1 613 . 1 1 58 58 TYR CD1 C 13 132.752 0.2 . 3 . . . . 58 TYR CD1 . 11080 1 614 . 1 1 58 58 TYR CD2 C 13 132.752 0.2 . 3 . . . . 58 TYR CD2 . 11080 1 615 . 1 1 58 58 TYR CE1 C 13 118.250 0.2 . 3 . . . . 58 TYR CE1 . 11080 1 616 . 1 1 58 58 TYR CE2 C 13 118.250 0.2 . 3 . . . . 58 TYR CE2 . 11080 1 617 . 1 1 58 58 TYR N N 15 115.734 0.2 . 1 . . . . 58 TYR N . 11080 1 618 . 1 1 59 59 PHE H H 1 9.136 0.02 . 1 . . . . 59 PHE H . 11080 1 619 . 1 1 59 59 PHE HA H 1 5.037 0.02 . 1 . . . . 59 PHE HA . 11080 1 620 . 1 1 59 59 PHE HB2 H 1 3.159 0.02 . 2 . . . . 59 PHE HB2 . 11080 1 621 . 1 1 59 59 PHE HB3 H 1 3.262 0.02 . 2 . . . . 59 PHE HB3 . 11080 1 622 . 1 1 59 59 PHE HD1 H 1 7.292 0.02 . 3 . . . . 59 PHE QD . 11080 1 623 . 1 1 59 59 PHE HD2 H 1 7.292 0.02 . 3 . . . . 59 PHE QD . 11080 1 624 . 1 1 59 59 PHE CA C 13 56.315 0.2 . 1 . . . . 59 PHE CA . 11080 1 625 . 1 1 59 59 PHE CB C 13 41.590 0.2 . 1 . . . . 59 PHE CB . 11080 1 626 . 1 1 59 59 PHE CD1 C 13 134.150 0.2 . 3 . . . . 59 PHE CD1 . 11080 1 627 . 1 1 59 59 PHE CD2 C 13 134.145 0.2 . 3 . . . . 59 PHE CD2 . 11080 1 628 . 1 1 59 59 PHE CE1 C 13 130.889 0.2 . 3 . . . . 59 PHE CE1 . 11080 1 629 . 1 1 59 59 PHE CZ C 13 129.852 0.2 . 1 . . . . 59 PHE CZ . 11080 1 630 . 1 1 59 59 PHE N N 15 118.174 0.2 . 1 . . . . 59 PHE N . 11080 1 631 . 1 1 60 60 GLY H H 1 8.594 0.02 . 1 . . . . 60 GLY H . 11080 1 632 . 1 1 60 60 GLY HA2 H 1 5.275 0.02 . 2 . . . . 60 GLY HA2 . 11080 1 633 . 1 1 60 60 GLY HA3 H 1 3.939 0.02 . 2 . . . . 60 GLY HA3 . 11080 1 634 . 1 1 60 60 GLY CA C 13 43.161 0.2 . 1 . . . . 60 GLY CA . 11080 1 635 . 1 1 60 60 GLY N N 15 106.839 0.2 . 1 . . . . 60 GLY N . 11080 1 636 . 1 1 61 61 ARG H H 1 8.833 0.02 . 1 . . . . 61 ARG H . 11080 1 637 . 1 1 61 61 ARG HA H 1 4.003 0.02 . 1 . . . . 61 ARG HA . 11080 1 638 . 1 1 61 61 ARG HB2 H 1 1.635 0.02 . 2 . . . . 61 ARG HB2 . 11080 1 639 . 1 1 61 61 ARG HB3 H 1 1.572 0.02 . 2 . . . . 61 ARG HB3 . 11080 1 640 . 1 1 61 61 ARG HD2 H 1 2.588 0.02 . 2 . . . . 61 ARG HD2 . 11080 1 641 . 1 1 61 61 ARG HD3 H 1 2.766 0.02 . 2 . . . . 61 ARG HD3 . 11080 1 642 . 1 1 61 61 ARG HG2 H 1 1.203 0.02 . 2 . . . . 61 ARG HG2 . 11080 1 643 . 1 1 61 61 ARG HG3 H 1 0.722 0.02 . 2 . . . . 61 ARG HG3 . 11080 1 644 . 1 1 61 61 ARG CA C 13 57.419 0.2 . 1 . . . . 61 ARG CA . 11080 1 645 . 1 1 61 61 ARG CB C 13 30.298 0.2 . 1 . . . . 61 ARG CB . 11080 1 646 . 1 1 61 61 ARG CD C 13 43.054 0.2 . 1 . . . . 61 ARG CD . 11080 1 647 . 1 1 61 61 ARG CG C 13 28.444 0.2 . 1 . . . . 61 ARG CG . 11080 1 648 . 1 1 61 61 ARG N N 15 119.161 0.2 . 1 . . . . 61 ARG N . 11080 1 649 . 1 1 62 62 GLY H H 1 10.418 0.02 . 1 . . . . 62 GLY H . 11080 1 650 . 1 1 62 62 GLY HA2 H 1 3.803 0.02 . 2 . . . . 62 GLY HA2 . 11080 1 651 . 1 1 62 62 GLY HA3 H 1 4.307 0.02 . 2 . . . . 62 GLY HA3 . 11080 1 652 . 1 1 62 62 GLY CA C 13 45.501 0.2 . 1 . . . . 62 GLY CA . 11080 1 653 . 1 1 62 62 GLY N N 15 112.714 0.2 . 1 . . . . 62 GLY N . 11080 1 654 . 1 1 63 63 LYS H H 1 7.706 0.02 . 1 . . . . 63 LYS H . 11080 1 655 . 1 1 63 63 LYS HA H 1 4.386 0.02 . 1 . . . . 63 LYS HA . 11080 1 656 . 1 1 63 63 LYS HB2 H 1 1.857 0.02 . 2 . . . . 63 LYS HB2 . 11080 1 657 . 1 1 63 63 LYS HB3 H 1 2.008 0.02 . 2 . . . . 63 LYS HB3 . 11080 1 658 . 1 1 63 63 LYS HD2 H 1 1.411 0.02 . 2 . . . . 63 LYS HD2 . 11080 1 659 . 1 1 63 63 LYS HD3 H 1 1.432 0.02 . 2 . . . . 63 LYS HD3 . 11080 1 660 . 1 1 63 63 LYS HE2 H 1 3.254 0.02 . 2 . . . . 63 LYS HE2 . 11080 1 661 . 1 1 63 63 LYS HE3 H 1 3.280 0.02 . 2 . . . . 63 LYS HE3 . 11080 1 662 . 1 1 63 63 LYS HG2 H 1 1.365 0.02 . 2 . . . . 63 LYS HG2 . 11080 1 663 . 1 1 63 63 LYS HG3 H 1 1.383 0.02 . 2 . . . . 63 LYS HG3 . 11080 1 664 . 1 1 63 63 LYS CA C 13 57.120 0.2 . 1 . . . . 63 LYS CA . 11080 1 665 . 1 1 63 63 LYS CB C 13 34.862 0.2 . 1 . . . . 63 LYS CB . 11080 1 666 . 1 1 63 63 LYS CD C 13 24.646 0.2 . 1 . . . . 63 LYS CD . 11080 1 667 . 1 1 63 63 LYS CE C 13 41.642 0.2 . 1 . . . . 63 LYS CE . 11080 1 668 . 1 1 63 63 LYS CG C 13 20.546 0.2 . 1 . . . . 63 LYS CG . 11080 1 669 . 1 1 63 63 LYS N N 15 120.687 0.2 . 1 . . . . 63 LYS N . 11080 1 670 . 1 1 64 64 MET H H 1 9.046 0.02 . 1 . . . . 64 MET H . 11080 1 671 . 1 1 64 64 MET HA H 1 4.608 0.02 . 1 . . . . 64 MET HA . 11080 1 672 . 1 1 64 64 MET HB2 H 1 1.825 0.02 . 2 . . . . 64 MET HB2 . 11080 1 673 . 1 1 64 64 MET HB3 H 1 1.464 0.02 . 2 . . . . 64 MET HB3 . 11080 1 674 . 1 1 64 64 MET HE1 H 1 0.907 0.02 . 1 . . . . 64 MET QE . 11080 1 675 . 1 1 64 64 MET HE2 H 1 0.907 0.02 . 1 . . . . 64 MET QE . 11080 1 676 . 1 1 64 64 MET HE3 H 1 0.907 0.02 . 1 . . . . 64 MET QE . 11080 1 677 . 1 1 64 64 MET HG2 H 1 1.761 0.02 . 2 . . . . 64 MET HG2 . 11080 1 678 . 1 1 64 64 MET HG3 H 1 1.838 0.02 . 2 . . . . 64 MET HG3 . 11080 1 679 . 1 1 64 64 MET CA C 13 51.959 0.2 . 1 . . . . 64 MET CA . 11080 1 680 . 1 1 64 64 MET CB C 13 33.012 0.2 . 1 . . . . 64 MET CB . 11080 1 681 . 1 1 64 64 MET CE C 13 17.057 0.2 . 1 . . . . 64 MET CE . 11080 1 682 . 1 1 64 64 MET CG C 13 33.255 0.2 . 1 . . . . 64 MET CG . 11080 1 683 . 1 1 64 64 MET N N 15 117.704 0.2 . 1 . . . . 64 MET N . 11080 1 684 . 1 1 65 65 VAL H H 1 8.043 0.02 . 1 . . . . 65 VAL H . 11080 1 685 . 1 1 65 65 VAL HA H 1 4.213 0.02 . 1 . . . . 65 VAL HA . 11080 1 686 . 1 1 65 65 VAL HB H 1 2.531 0.02 . 1 . . . . 65 VAL HB . 11080 1 687 . 1 1 65 65 VAL HG11 H 1 1.252 0.02 . 1 . . . . 65 VAL QG1 . 11080 1 688 . 1 1 65 65 VAL HG12 H 1 1.252 0.02 . 1 . . . . 65 VAL QG1 . 11080 1 689 . 1 1 65 65 VAL HG13 H 1 1.252 0.02 . 1 . . . . 65 VAL QG1 . 11080 1 690 . 1 1 65 65 VAL HG21 H 1 1.198 0.02 . 1 . . . . 65 VAL QG2 . 11080 1 691 . 1 1 65 65 VAL HG22 H 1 1.198 0.02 . 1 . . . . 65 VAL QG2 . 11080 1 692 . 1 1 65 65 VAL HG23 H 1 1.198 0.02 . 1 . . . . 65 VAL QG2 . 11080 1 693 . 1 1 65 65 VAL CA C 13 62.340 0.2 . 1 . . . . 65 VAL CA . 11080 1 694 . 1 1 65 65 VAL CB C 13 32.801 0.2 . 1 . . . . 65 VAL CB . 11080 1 695 . 1 1 65 65 VAL CG1 C 13 22.883 0.2 . 2 . . . . 65 VAL CG1 . 11080 1 696 . 1 1 65 65 VAL CG2 C 13 19.280 0.2 . 2 . . . . 65 VAL CG2 . 11080 1 697 . 1 1 65 65 VAL N N 15 113.540 0.2 . 1 . . . . 65 VAL N . 11080 1 698 . 1 1 66 66 LYS H H 1 8.877 0.02 . 1 . . . . 66 LYS H . 11080 1 699 . 1 1 66 66 LYS HA H 1 4.203 0.02 . 1 . . . . 66 LYS HA . 11080 1 700 . 1 1 66 66 LYS HB2 H 1 1.931 0.02 . 2 . . . . 66 LYS HB2 . 11080 1 701 . 1 1 66 66 LYS HB3 H 1 2.011 0.02 . 2 . . . . 66 LYS HB3 . 11080 1 702 . 1 1 66 66 LYS HD2 H 1 1.760 0.02 . 2 . . . . 66 LYS HD2 . 11080 1 703 . 1 1 66 66 LYS HD3 H 1 1.775 0.02 . 2 . . . . 66 LYS HD3 . 11080 1 704 . 1 1 66 66 LYS HE2 H 1 3.002 0.02 . 2 . . . . 66 LYS HE2 . 11080 1 705 . 1 1 66 66 LYS HE3 H 1 3.042 0.02 . 2 . . . . 66 LYS HE3 . 11080 1 706 . 1 1 66 66 LYS HG2 H 1 1.425 0.02 . 2 . . . . 66 LYS HG2 . 11080 1 707 . 1 1 66 66 LYS HG3 H 1 1.443 0.02 . 2 . . . . 66 LYS HG3 . 11080 1 708 . 1 1 66 66 LYS CA C 13 61.422 0.2 . 1 . . . . 66 LYS CA . 11080 1 709 . 1 1 66 66 LYS CB C 13 30.433 0.2 . 1 . . . . 66 LYS CB . 11080 1 710 . 1 1 66 66 LYS CD C 13 29.177 0.2 . 1 . . . . 66 LYS CD . 11080 1 711 . 1 1 66 66 LYS CE C 13 42.223 0.2 . 1 . . . . 66 LYS CE . 11080 1 712 . 1 1 66 66 LYS CG C 13 24.835 0.2 . 1 . . . . 66 LYS CG . 11080 1 713 . 1 1 66 66 LYS N N 15 124.592 0.2 . 1 . . . . 66 LYS N . 11080 1 714 . 1 1 67 67 PRO HA H 1 4.451 0.02 . 1 . . . . 67 PRO HA . 11080 1 715 . 1 1 67 67 PRO HB2 H 1 2.416 0.02 . 2 . . . . 67 PRO HB2 . 11080 1 716 . 1 1 67 67 PRO HB3 H 1 1.679 0.02 . 2 . . . . 67 PRO HB3 . 11080 1 717 . 1 1 67 67 PRO HD2 H 1 3.857 0.02 . 2 . . . . 67 PRO HD2 . 11080 1 718 . 1 1 67 67 PRO HD3 H 1 3.786 0.02 . 2 . . . . 67 PRO HD3 . 11080 1 719 . 1 1 67 67 PRO HG2 H 1 2.033 0.02 . 2 . . . . 67 PRO HG2 . 11080 1 720 . 1 1 67 67 PRO HG3 H 1 2.260 0.02 . 2 . . . . 67 PRO HG3 . 11080 1 721 . 1 1 67 67 PRO CA C 13 66.049 0.2 . 1 . . . . 67 PRO CA . 11080 1 722 . 1 1 67 67 PRO CB C 13 31.251 0.2 . 1 . . . . 67 PRO CB . 11080 1 723 . 1 1 67 67 PRO CD C 13 49.534 0.2 . 1 . . . . 67 PRO CD . 11080 1 724 . 1 1 67 67 PRO CG C 13 29.342 0.2 . 1 . . . . 67 PRO CG . 11080 1 725 . 1 1 68 68 PHE H H 1 6.997 0.02 . 1 . . . . 68 PHE H . 11080 1 726 . 1 1 68 68 PHE HA H 1 3.687 0.02 . 1 . . . . 68 PHE HA . 11080 1 727 . 1 1 68 68 PHE HB2 H 1 2.118 0.02 . 2 . . . . 68 PHE HB2 . 11080 1 728 . 1 1 68 68 PHE HB3 H 1 3.456 0.02 . 2 . . . . 68 PHE HB3 . 11080 1 729 . 1 1 68 68 PHE HD1 H 1 6.011 0.02 . 3 . . . . 68 PHE QD . 11080 1 730 . 1 1 68 68 PHE HD2 H 1 6.011 0.02 . 3 . . . . 68 PHE QD . 11080 1 731 . 1 1 68 68 PHE CA C 13 60.756 0.2 . 1 . . . . 68 PHE CA . 11080 1 732 . 1 1 68 68 PHE CB C 13 40.182 0.2 . 1 . . . . 68 PHE CB . 11080 1 733 . 1 1 68 68 PHE CD1 C 13 130.122 0.2 . 3 . . . . 68 PHE CD1 . 11080 1 734 . 1 1 68 68 PHE CD2 C 13 130.121 0.2 . 3 . . . . 68 PHE CD2 . 11080 1 735 . 1 1 68 68 PHE CE2 C 13 130.530 0.2 . 3 . . . . 68 PHE CE2 . 11080 1 736 . 1 1 68 68 PHE CZ C 13 128.362 0.2 . 1 . . . . 68 PHE CZ . 11080 1 737 . 1 1 68 68 PHE N N 15 115.149 0.2 . 1 . . . . 68 PHE N . 11080 1 738 . 1 1 69 69 GLU H H 1 8.562 0.02 . 1 . . . . 69 GLU H . 11080 1 739 . 1 1 69 69 GLU HA H 1 3.996 0.02 . 1 . . . . 69 GLU HA . 11080 1 740 . 1 1 69 69 GLU HB2 H 1 2.316 0.02 . 2 . . . . 69 GLU HB2 . 11080 1 741 . 1 1 69 69 GLU HB3 H 1 2.281 0.02 . 2 . . . . 69 GLU HB3 . 11080 1 742 . 1 1 69 69 GLU HG2 H 1 2.260 0.02 . 2 . . . . 69 GLU HG2 . 11080 1 743 . 1 1 69 69 GLU HG3 H 1 2.556 0.02 . 2 . . . . 69 GLU HG3 . 11080 1 744 . 1 1 69 69 GLU CA C 13 60.964 0.2 . 1 . . . . 69 GLU CA . 11080 1 745 . 1 1 69 69 GLU CB C 13 30.925 0.2 . 1 . . . . 69 GLU CB . 11080 1 746 . 1 1 69 69 GLU CG C 13 37.944 0.2 . 1 . . . . 69 GLU CG . 11080 1 747 . 1 1 69 69 GLU N N 15 119.933 0.2 . 1 . . . . 69 GLU N . 11080 1 748 . 1 1 70 70 ASP H H 1 9.074 0.02 . 1 . . . . 70 ASP H . 11080 1 749 . 1 1 70 70 ASP HA H 1 4.385 0.02 . 1 . . . . 70 ASP HA . 11080 1 750 . 1 1 70 70 ASP HB2 H 1 2.584 0.02 . 2 . . . . 70 ASP HB2 . 11080 1 751 . 1 1 70 70 ASP HB3 H 1 2.634 0.02 . 2 . . . . 70 ASP HB3 . 11080 1 752 . 1 1 70 70 ASP CA C 13 57.173 0.2 . 1 . . . . 70 ASP CA . 11080 1 753 . 1 1 70 70 ASP CB C 13 40.188 0.2 . 1 . . . . 70 ASP CB . 11080 1 754 . 1 1 70 70 ASP N N 15 116.956 0.2 . 1 . . . . 70 ASP N . 11080 1 755 . 1 1 71 71 ALA H H 1 6.888 0.02 . 1 . . . . 71 ALA H . 11080 1 756 . 1 1 71 71 ALA HA H 1 4.172 0.02 . 1 . . . . 71 ALA HA . 11080 1 757 . 1 1 71 71 ALA HB1 H 1 1.373 0.02 . 1 . . . . 71 ALA QB . 11080 1 758 . 1 1 71 71 ALA HB2 H 1 1.373 0.02 . 1 . . . . 71 ALA QB . 11080 1 759 . 1 1 71 71 ALA HB3 H 1 1.373 0.02 . 1 . . . . 71 ALA QB . 11080 1 760 . 1 1 71 71 ALA CA C 13 54.315 0.2 . 1 . . . . 71 ALA CA . 11080 1 761 . 1 1 71 71 ALA CB C 13 20.502 0.2 . 1 . . . . 71 ALA CB . 11080 1 762 . 1 1 71 71 ALA N N 15 117.745 0.2 . 1 . . . . 71 ALA N . 11080 1 763 . 1 1 72 72 ALA H H 1 8.860 0.02 . 1 . . . . 72 ALA H . 11080 1 764 . 1 1 72 72 ALA HA H 1 3.746 0.02 . 1 . . . . 72 ALA HA . 11080 1 765 . 1 1 72 72 ALA HB1 H 1 1.400 0.02 . 1 . . . . 72 ALA QB . 11080 1 766 . 1 1 72 72 ALA HB2 H 1 1.400 0.02 . 1 . . . . 72 ALA QB . 11080 1 767 . 1 1 72 72 ALA HB3 H 1 1.400 0.02 . 1 . . . . 72 ALA QB . 11080 1 768 . 1 1 72 72 ALA CA C 13 55.393 0.2 . 1 . . . . 72 ALA CA . 11080 1 769 . 1 1 72 72 ALA CB C 13 19.084 0.2 . 1 . . . . 72 ALA CB . 11080 1 770 . 1 1 72 72 ALA N N 15 120.783 0.2 . 1 . . . . 72 ALA N . 11080 1 771 . 1 1 73 73 PHE H H 1 8.275 0.02 . 1 . . . . 73 PHE H . 11080 1 772 . 1 1 73 73 PHE HA H 1 4.021 0.02 . 1 . . . . 73 PHE HA . 11080 1 773 . 1 1 73 73 PHE HB2 H 1 3.279 0.02 . 2 . . . . 73 PHE HB2 . 11080 1 774 . 1 1 73 73 PHE HB3 H 1 3.057 0.02 . 2 . . . . 73 PHE HB3 . 11080 1 775 . 1 1 73 73 PHE HD1 H 1 7.647 0.02 . 3 . . . . 73 PHE QD . 11080 1 776 . 1 1 73 73 PHE HD2 H 1 7.647 0.02 . 3 . . . . 73 PHE QD . 11080 1 777 . 1 1 73 73 PHE HE1 H 1 7.657 0.02 . 3 . . . . 73 PHE QE . 11080 1 778 . 1 1 73 73 PHE HE2 H 1 7.657 0.02 . 3 . . . . 73 PHE QE . 11080 1 779 . 1 1 73 73 PHE HZ H 1 7.758 0.02 . 1 . . . . 73 PHE HZ . 11080 1 780 . 1 1 73 73 PHE CA C 13 61.566 0.2 . 1 . . . . 73 PHE CA . 11080 1 781 . 1 1 73 73 PHE CB C 13 38.327 0.2 . 1 . . . . 73 PHE CB . 11080 1 782 . 1 1 73 73 PHE CD1 C 13 131.885 0.2 . 3 . . . . 73 PHE CD1 . 11080 1 783 . 1 1 73 73 PHE CD2 C 13 131.884 0.2 . 3 . . . . 73 PHE CD2 . 11080 1 784 . 1 1 73 73 PHE CE1 C 13 136.916 0.2 . 3 . . . . 73 PHE CE1 . 11080 1 785 . 1 1 73 73 PHE CE2 C 13 136.916 0.2 . 3 . . . . 73 PHE CE2 . 11080 1 786 . 1 1 73 73 PHE CZ C 13 136.232 0.2 . 1 . . . . 73 PHE CZ . 11080 1 787 . 1 1 73 73 PHE N N 15 110.353 0.2 . 1 . . . . 73 PHE N . 11080 1 788 . 1 1 74 74 ARG H H 1 7.047 0.02 . 1 . . . . 74 ARG H . 11080 1 789 . 1 1 74 74 ARG HA H 1 4.474 0.02 . 1 . . . . 74 ARG HA . 11080 1 790 . 1 1 74 74 ARG HB2 H 1 2.026 0.02 . 2 . . . . 74 ARG HB2 . 11080 1 791 . 1 1 74 74 ARG HB3 H 1 1.819 0.02 . 2 . . . . 74 ARG HB3 . 11080 1 792 . 1 1 74 74 ARG HD2 H 1 3.239 0.02 . 2 . . . . 74 ARG HD2 . 11080 1 793 . 1 1 74 74 ARG HD3 H 1 3.256 0.02 . 2 . . . . 74 ARG HD3 . 11080 1 794 . 1 1 74 74 ARG HG2 H 1 1.886 0.02 . 2 . . . . 74 ARG HG2 . 11080 1 795 . 1 1 74 74 ARG HG3 H 1 1.731 0.02 . 2 . . . . 74 ARG HG3 . 11080 1 796 . 1 1 74 74 ARG CA C 13 56.367 0.2 . 1 . . . . 74 ARG CA . 11080 1 797 . 1 1 74 74 ARG CB C 13 31.700 0.2 . 1 . . . . 74 ARG CB . 11080 1 798 . 1 1 74 74 ARG CD C 13 43.804 0.2 . 1 . . . . 74 ARG CD . 11080 1 799 . 1 1 74 74 ARG CG C 13 27.850 0.2 . 1 . . . . 74 ARG CG . 11080 1 800 . 1 1 74 74 ARG N N 15 116.189 0.2 . 1 . . . . 74 ARG N . 11080 1 801 . 1 1 75 75 LEU H H 1 7.033 0.02 . 1 . . . . 75 LEU H . 11080 1 802 . 1 1 75 75 LEU HA H 1 4.279 0.02 . 1 . . . . 75 LEU HA . 11080 1 803 . 1 1 75 75 LEU HB2 H 1 1.746 0.02 . 2 . . . . 75 LEU HB2 . 11080 1 804 . 1 1 75 75 LEU HB3 H 1 1.485 0.02 . 2 . . . . 75 LEU HB3 . 11080 1 805 . 1 1 75 75 LEU HD11 H 1 0.561 0.02 . 1 . . . . 75 LEU QD1 . 11080 1 806 . 1 1 75 75 LEU HD12 H 1 0.561 0.02 . 1 . . . . 75 LEU QD1 . 11080 1 807 . 1 1 75 75 LEU HD13 H 1 0.561 0.02 . 1 . . . . 75 LEU QD1 . 11080 1 808 . 1 1 75 75 LEU HD21 H 1 0.562 0.02 . 1 . . . . 75 LEU QD2 . 11080 1 809 . 1 1 75 75 LEU HD22 H 1 0.562 0.02 . 1 . . . . 75 LEU QD2 . 11080 1 810 . 1 1 75 75 LEU HD23 H 1 0.562 0.02 . 1 . . . . 75 LEU QD2 . 11080 1 811 . 1 1 75 75 LEU HG H 1 2.059 0.02 . 1 . . . . 75 LEU HG . 11080 1 812 . 1 1 75 75 LEU CA C 13 55.001 0.2 . 1 . . . . 75 LEU CA . 11080 1 813 . 1 1 75 75 LEU CB C 13 43.145 0.2 . 1 . . . . 75 LEU CB . 11080 1 814 . 1 1 75 75 LEU CD1 C 13 21.836 0.2 . 2 . . . . 75 LEU CD1 . 11080 1 815 . 1 1 75 75 LEU CD2 C 13 21.989 0.2 . 2 . . . . 75 LEU CD2 . 11080 1 816 . 1 1 75 75 LEU CG C 13 25.811 0.2 . 1 . . . . 75 LEU CG . 11080 1 817 . 1 1 75 75 LEU N N 15 119.425 0.2 . 1 . . . . 75 LEU N . 11080 1 818 . 1 1 76 76 GLN H H 1 9.087 0.02 . 1 . . . . 76 GLN H . 11080 1 819 . 1 1 76 76 GLN HA H 1 4.407 0.02 . 1 . . . . 76 GLN HA . 11080 1 820 . 1 1 76 76 GLN HB2 H 1 2.197 0.02 . 2 . . . . 76 GLN HB2 . 11080 1 821 . 1 1 76 76 GLN HB3 H 1 1.775 0.02 . 2 . . . . 76 GLN HB3 . 11080 1 822 . 1 1 76 76 GLN HE21 H 1 7.628 0.02 . 2 . . . . 76 GLN HE21 . 11080 1 823 . 1 1 76 76 GLN HE22 H 1 6.922 0.02 . 2 . . . . 76 GLN HE22 . 11080 1 824 . 1 1 76 76 GLN HG2 H 1 2.469 0.02 . 2 . . . . 76 GLN HG2 . 11080 1 825 . 1 1 76 76 GLN HG3 H 1 2.524 0.02 . 2 . . . . 76 GLN HG3 . 11080 1 826 . 1 1 76 76 GLN CA C 13 54.459 0.2 . 1 . . . . 76 GLN CA . 11080 1 827 . 1 1 76 76 GLN CB C 13 29.620 0.2 . 1 . . . . 76 GLN CB . 11080 1 828 . 1 1 76 76 GLN CG C 13 34.059 0.2 . 1 . . . . 76 GLN CG . 11080 1 829 . 1 1 76 76 GLN N N 15 121.205 0.2 . 1 . . . . 76 GLN N . 11080 1 830 . 1 1 76 76 GLN NE2 N 15 113.574 0.2 . 1 . . . . 76 GLN NE2 . 11080 1 831 . 1 1 77 77 VAL H H 1 8.901 0.02 . 1 . . . . 77 VAL H . 11080 1 832 . 1 1 77 77 VAL HA H 1 4.403 0.02 . 1 . . . . 77 VAL HA . 11080 1 833 . 1 1 77 77 VAL HB H 1 2.889 0.02 . 1 . . . . 77 VAL HB . 11080 1 834 . 1 1 77 77 VAL HG11 H 1 0.765 0.02 . 1 . . . . 77 VAL QG1 . 11080 1 835 . 1 1 77 77 VAL HG12 H 1 0.765 0.02 . 1 . . . . 77 VAL QG1 . 11080 1 836 . 1 1 77 77 VAL HG13 H 1 0.765 0.02 . 1 . . . . 77 VAL QG1 . 11080 1 837 . 1 1 77 77 VAL HG21 H 1 0.809 0.02 . 1 . . . . 77 VAL QG2 . 11080 1 838 . 1 1 77 77 VAL HG22 H 1 0.809 0.02 . 1 . . . . 77 VAL QG2 . 11080 1 839 . 1 1 77 77 VAL HG23 H 1 0.809 0.02 . 1 . . . . 77 VAL QG2 . 11080 1 840 . 1 1 77 77 VAL CA C 13 67.583 0.2 . 1 . . . . 77 VAL CA . 11080 1 841 . 1 1 77 77 VAL CB C 13 28.616 0.2 . 1 . . . . 77 VAL CB . 11080 1 842 . 1 1 77 77 VAL CG1 C 13 26.541 0.2 . 2 . . . . 77 VAL CG1 . 11080 1 843 . 1 1 77 77 VAL CG2 C 13 22.421 0.2 . 2 . . . . 77 VAL CG2 . 11080 1 844 . 1 1 77 77 VAL N N 15 121.809 0.2 . 1 . . . . 77 VAL N . 11080 1 845 . 1 1 78 78 GLY H H 1 9.049 0.02 . 1 . . . . 78 GLY H . 11080 1 846 . 1 1 78 78 GLY HA2 H 1 4.371 0.02 . 2 . . . . 78 GLY HA2 . 11080 1 847 . 1 1 78 78 GLY HA3 H 1 3.561 0.02 . 2 . . . . 78 GLY HA3 . 11080 1 848 . 1 1 78 78 GLY CA C 13 45.133 0.2 . 1 . . . . 78 GLY CA . 11080 1 849 . 1 1 78 78 GLY N N 15 117.559 0.2 . 1 . . . . 78 GLY N . 11080 1 850 . 1 1 79 79 GLU H H 1 8.093 0.02 . 1 . . . . 79 GLU H . 11080 1 851 . 1 1 79 79 GLU HA H 1 4.267 0.02 . 1 . . . . 79 GLU HA . 11080 1 852 . 1 1 79 79 GLU HB2 H 1 2.169 0.02 . 2 . . . . 79 GLU HB2 . 11080 1 853 . 1 1 79 79 GLU HB3 H 1 1.966 0.02 . 2 . . . . 79 GLU HB3 . 11080 1 854 . 1 1 79 79 GLU HG2 H 1 2.335 0.02 . 2 . . . . 79 GLU HG2 . 11080 1 855 . 1 1 79 79 GLU HG3 H 1 2.172 0.02 . 2 . . . . 79 GLU HG3 . 11080 1 856 . 1 1 79 79 GLU CA C 13 56.547 0.2 . 1 . . . . 79 GLU CA . 11080 1 857 . 1 1 79 79 GLU CB C 13 32.290 0.2 . 1 . . . . 79 GLU CB . 11080 1 858 . 1 1 79 79 GLU CG C 13 37.025 0.2 . 1 . . . . 79 GLU CG . 11080 1 859 . 1 1 79 79 GLU N N 15 122.304 0.2 . 1 . . . . 79 GLU N . 11080 1 860 . 1 1 80 80 VAL H H 1 8.133 0.02 . 1 . . . . 80 VAL H . 11080 1 861 . 1 1 80 80 VAL HA H 1 5.046 0.02 . 1 . . . . 80 VAL HA . 11080 1 862 . 1 1 80 80 VAL HB H 1 1.906 0.02 . 1 . . . . 80 VAL HB . 11080 1 863 . 1 1 80 80 VAL HG11 H 1 1.147 0.02 . 1 . . . . 80 VAL QG1 . 11080 1 864 . 1 1 80 80 VAL HG12 H 1 1.147 0.02 . 1 . . . . 80 VAL QG1 . 11080 1 865 . 1 1 80 80 VAL HG13 H 1 1.147 0.02 . 1 . . . . 80 VAL QG1 . 11080 1 866 . 1 1 80 80 VAL HG21 H 1 0.951 0.02 . 1 . . . . 80 VAL QG2 . 11080 1 867 . 1 1 80 80 VAL HG22 H 1 0.951 0.02 . 1 . . . . 80 VAL QG2 . 11080 1 868 . 1 1 80 80 VAL HG23 H 1 0.951 0.02 . 1 . . . . 80 VAL QG2 . 11080 1 869 . 1 1 80 80 VAL CA C 13 60.322 0.2 . 1 . . . . 80 VAL CA . 11080 1 870 . 1 1 80 80 VAL CB C 13 33.557 0.2 . 1 . . . . 80 VAL CB . 11080 1 871 . 1 1 80 80 VAL CG1 C 13 22.577 0.2 . 2 . . . . 80 VAL CG1 . 11080 1 872 . 1 1 80 80 VAL CG2 C 13 21.978 0.2 . 2 . . . . 80 VAL CG2 . 11080 1 873 . 1 1 80 80 VAL N N 15 122.253 0.2 . 1 . . . . 80 VAL N . 11080 1 874 . 1 1 81 81 SER H H 1 9.927 0.02 . 1 . . . . 81 SER H . 11080 1 875 . 1 1 81 81 SER HA H 1 4.346 0.02 . 1 . . . . 81 SER HA . 11080 1 876 . 1 1 81 81 SER HB2 H 1 4.512 0.02 . 2 . . . . 81 SER HB2 . 11080 1 877 . 1 1 81 81 SER HB3 H 1 3.757 0.02 . 2 . . . . 81 SER HB3 . 11080 1 878 . 1 1 81 81 SER CA C 13 59.316 0.2 . 1 . . . . 81 SER CA . 11080 1 879 . 1 1 81 81 SER CB C 13 65.988 0.2 . 1 . . . . 81 SER CB . 11080 1 880 . 1 1 81 81 SER N N 15 125.484 0.2 . 1 . . . . 81 SER N . 11080 1 881 . 1 1 82 82 GLU H H 1 7.986 0.02 . 1 . . . . 82 GLU H . 11080 1 882 . 1 1 82 82 GLU HA H 1 4.623 0.02 . 1 . . . . 82 GLU HA . 11080 1 883 . 1 1 82 82 GLU HB2 H 1 2.252 0.02 . 2 . . . . 82 GLU HB2 . 11080 1 884 . 1 1 82 82 GLU HB3 H 1 1.853 0.02 . 2 . . . . 82 GLU HB3 . 11080 1 885 . 1 1 82 82 GLU HG2 H 1 2.447 0.02 . 2 . . . . 82 GLU HG2 . 11080 1 886 . 1 1 82 82 GLU HG3 H 1 2.380 0.02 . 2 . . . . 82 GLU HG3 . 11080 1 887 . 1 1 82 82 GLU CA C 13 55.651 0.2 . 1 . . . . 82 GLU CA . 11080 1 888 . 1 1 82 82 GLU CB C 13 28.330 0.2 . 1 . . . . 82 GLU CB . 11080 1 889 . 1 1 82 82 GLU CG C 13 36.349 0.2 . 1 . . . . 82 GLU CG . 11080 1 890 . 1 1 82 82 GLU N N 15 116.381 0.2 . 1 . . . . 82 GLU N . 11080 1 891 . 1 1 83 83 PRO HA H 1 4.733 0.02 . 1 . . . . 83 PRO HA . 11080 1 892 . 1 1 83 83 PRO HB2 H 1 2.098 0.02 . 2 . . . . 83 PRO HB2 . 11080 1 893 . 1 1 83 83 PRO HB3 H 1 1.887 0.02 . 2 . . . . 83 PRO HB3 . 11080 1 894 . 1 1 83 83 PRO HD2 H 1 3.644 0.02 . 2 . . . . 83 PRO HD2 . 11080 1 895 . 1 1 83 83 PRO HD3 H 1 3.862 0.02 . 2 . . . . 83 PRO HD3 . 11080 1 896 . 1 1 83 83 PRO HG2 H 1 2.039 0.02 . 2 . . . . 83 PRO HG2 . 11080 1 897 . 1 1 83 83 PRO HG3 H 1 1.469 0.02 . 2 . . . . 83 PRO HG3 . 11080 1 898 . 1 1 83 83 PRO CA C 13 63.682 0.2 . 1 . . . . 83 PRO CA . 11080 1 899 . 1 1 83 83 PRO CB C 13 31.442 0.2 . 1 . . . . 83 PRO CB . 11080 1 900 . 1 1 83 83 PRO CD C 13 50.079 0.2 . 1 . . . . 83 PRO CD . 11080 1 901 . 1 1 83 83 PRO CG C 13 28.966 0.2 . 1 . . . . 83 PRO CG . 11080 1 902 . 1 1 84 84 VAL H H 1 9.630 0.02 . 1 . . . . 84 VAL H . 11080 1 903 . 1 1 84 84 VAL HA H 1 4.361 0.02 . 1 . . . . 84 VAL HA . 11080 1 904 . 1 1 84 84 VAL HB H 1 1.993 0.02 . 1 . . . . 84 VAL HB . 11080 1 905 . 1 1 84 84 VAL HG11 H 1 0.786 0.02 . 1 . . . . 84 VAL QG1 . 11080 1 906 . 1 1 84 84 VAL HG12 H 1 0.786 0.02 . 1 . . . . 84 VAL QG1 . 11080 1 907 . 1 1 84 84 VAL HG13 H 1 0.786 0.02 . 1 . . . . 84 VAL QG1 . 11080 1 908 . 1 1 84 84 VAL HG21 H 1 0.993 0.02 . 1 . . . . 84 VAL QG2 . 11080 1 909 . 1 1 84 84 VAL HG22 H 1 0.993 0.02 . 1 . . . . 84 VAL QG2 . 11080 1 910 . 1 1 84 84 VAL HG23 H 1 0.993 0.02 . 1 . . . . 84 VAL QG2 . 11080 1 911 . 1 1 84 84 VAL CA C 13 61.251 0.2 . 1 . . . . 84 VAL CA . 11080 1 912 . 1 1 84 84 VAL CB C 13 35.610 0.2 . 1 . . . . 84 VAL CB . 11080 1 913 . 1 1 84 84 VAL CG1 C 13 20.888 0.2 . 2 . . . . 84 VAL CG1 . 11080 1 914 . 1 1 84 84 VAL CG2 C 13 20.645 0.2 . 2 . . . . 84 VAL CG2 . 11080 1 915 . 1 1 84 84 VAL N N 15 127.594 0.2 . 1 . . . . 84 VAL N . 11080 1 916 . 1 1 85 85 LYS H H 1 8.827 0.02 . 1 . . . . 85 LYS H . 11080 1 917 . 1 1 85 85 LYS HA H 1 4.280 0.02 . 1 . . . . 85 LYS HA . 11080 1 918 . 1 1 85 85 LYS HB2 H 1 1.717 0.02 . 2 . . . . 85 LYS HB2 . 11080 1 919 . 1 1 85 85 LYS HB3 H 1 1.424 0.02 . 2 . . . . 85 LYS HB3 . 11080 1 920 . 1 1 85 85 LYS HD2 H 1 1.231 0.02 . 2 . . . . 85 LYS HD2 . 11080 1 921 . 1 1 85 85 LYS HD3 H 1 1.571 0.02 . 2 . . . . 85 LYS HD3 . 11080 1 922 . 1 1 85 85 LYS HE2 H 1 2.867 0.02 . 2 . . . . 85 LYS HE2 . 11080 1 923 . 1 1 85 85 LYS HE3 H 1 2.924 0.02 . 2 . . . . 85 LYS HE3 . 11080 1 924 . 1 1 85 85 LYS HG2 H 1 0.695 0.02 . 2 . . . . 85 LYS HG2 . 11080 1 925 . 1 1 85 85 LYS HG3 H 1 1.067 0.02 . 2 . . . . 85 LYS HG3 . 11080 1 926 . 1 1 85 85 LYS CA C 13 56.161 0.2 . 1 . . . . 85 LYS CA . 11080 1 927 . 1 1 85 85 LYS CB C 13 33.684 0.2 . 1 . . . . 85 LYS CB . 11080 1 928 . 1 1 85 85 LYS CD C 13 28.939 0.2 . 1 . . . . 85 LYS CD . 11080 1 929 . 1 1 85 85 LYS CE C 13 42.561 0.2 . 1 . . . . 85 LYS CE . 11080 1 930 . 1 1 85 85 LYS CG C 13 24.974 0.2 . 1 . . . . 85 LYS CG . 11080 1 931 . 1 1 85 85 LYS N N 15 130.184 0.2 . 1 . . . . 85 LYS N . 11080 1 932 . 1 1 86 86 SER H H 1 9.594 0.02 . 1 . . . . 86 SER H . 11080 1 933 . 1 1 86 86 SER HA H 1 4.925 0.02 . 1 . . . . 86 SER HA . 11080 1 934 . 1 1 86 86 SER HB2 H 1 4.599 0.02 . 2 . . . . 86 SER HB2 . 11080 1 935 . 1 1 86 86 SER HB3 H 1 3.815 0.02 . 2 . . . . 86 SER HB3 . 11080 1 936 . 1 1 86 86 SER CA C 13 56.939 0.2 . 1 . . . . 86 SER CA . 11080 1 937 . 1 1 86 86 SER CB C 13 67.836 0.2 . 1 . . . . 86 SER CB . 11080 1 938 . 1 1 86 86 SER N N 15 125.071 0.2 . 1 . . . . 86 SER N . 11080 1 939 . 1 1 87 87 GLU H H 1 9.615 0.02 . 1 . . . . 87 GLU H . 11080 1 940 . 1 1 87 87 GLU HA H 1 4.120 0.02 . 1 . . . . 87 GLU HA . 11080 1 941 . 1 1 87 87 GLU HB2 H 1 1.863 0.02 . 2 . . . . 87 GLU HB2 . 11080 1 942 . 1 1 87 87 GLU HB3 H 1 1.766 0.02 . 2 . . . . 87 GLU HB3 . 11080 1 943 . 1 1 87 87 GLU HG2 H 1 1.527 0.02 . 2 . . . . 87 GLU HG2 . 11080 1 944 . 1 1 87 87 GLU HG3 H 1 1.196 0.02 . 2 . . . . 87 GLU HG3 . 11080 1 945 . 1 1 87 87 GLU CA C 13 58.085 0.2 . 1 . . . . 87 GLU CA . 11080 1 946 . 1 1 87 87 GLU CB C 13 29.380 0.2 . 1 . . . . 87 GLU CB . 11080 1 947 . 1 1 87 87 GLU CG C 13 35.378 0.2 . 1 . . . . 87 GLU CG . 11080 1 948 . 1 1 87 87 GLU N N 15 118.510 0.2 . 1 . . . . 87 GLU N . 11080 1 949 . 1 1 88 88 PHE H H 1 8.817 0.02 . 1 . . . . 88 PHE H . 11080 1 950 . 1 1 88 88 PHE HA H 1 4.539 0.02 . 1 . . . . 88 PHE HA . 11080 1 951 . 1 1 88 88 PHE HB2 H 1 3.325 0.02 . 2 . . . . 88 PHE HB2 . 11080 1 952 . 1 1 88 88 PHE HB3 H 1 2.627 0.02 . 2 . . . . 88 PHE HB3 . 11080 1 953 . 1 1 88 88 PHE HD1 H 1 7.402 0.02 . 3 . . . . 88 PHE QD . 11080 1 954 . 1 1 88 88 PHE HD2 H 1 7.402 0.02 . 3 . . . . 88 PHE QD . 11080 1 955 . 1 1 88 88 PHE HE1 H 1 7.268 0.02 . 3 . . . . 88 PHE QE . 11080 1 956 . 1 1 88 88 PHE HE2 H 1 7.268 0.02 . 3 . . . . 88 PHE QE . 11080 1 957 . 1 1 88 88 PHE CA C 13 58.501 0.2 . 1 . . . . 88 PHE CA . 11080 1 958 . 1 1 88 88 PHE CB C 13 40.159 0.2 . 1 . . . . 88 PHE CB . 11080 1 959 . 1 1 88 88 PHE CD1 C 13 130.544 0.2 . 3 . . . . 88 PHE CD1 . 11080 1 960 . 1 1 88 88 PHE CD2 C 13 130.544 0.2 . 3 . . . . 88 PHE CD2 . 11080 1 961 . 1 1 88 88 PHE CE1 C 13 130.196 0.2 . 3 . . . . 88 PHE CE1 . 11080 1 962 . 1 1 88 88 PHE CE2 C 13 130.196 0.2 . 3 . . . . 88 PHE CE2 . 11080 1 963 . 1 1 88 88 PHE N N 15 118.385 0.2 . 1 . . . . 88 PHE N . 11080 1 964 . 1 1 89 89 GLY H H 1 7.405 0.02 . 1 . . . . 89 GLY H . 11080 1 965 . 1 1 89 89 GLY HA2 H 1 3.696 0.02 . 2 . . . . 89 GLY HA2 . 11080 1 966 . 1 1 89 89 GLY HA3 H 1 4.438 0.02 . 2 . . . . 89 GLY HA3 . 11080 1 967 . 1 1 89 89 GLY CA C 13 45.088 0.2 . 1 . . . . 89 GLY CA . 11080 1 968 . 1 1 89 89 GLY N N 15 107.269 0.2 . 1 . . . . 89 GLY N . 11080 1 969 . 1 1 90 90 TYR H H 1 9.119 0.02 . 1 . . . . 90 TYR H . 11080 1 970 . 1 1 90 90 TYR HA H 1 5.080 0.02 . 1 . . . . 90 TYR HA . 11080 1 971 . 1 1 90 90 TYR HB2 H 1 2.583 0.02 . 2 . . . . 90 TYR HB2 . 11080 1 972 . 1 1 90 90 TYR HB3 H 1 2.214 0.02 . 2 . . . . 90 TYR HB3 . 11080 1 973 . 1 1 90 90 TYR HD1 H 1 6.706 0.02 . 3 . . . . 90 TYR QD . 11080 1 974 . 1 1 90 90 TYR HD2 H 1 6.706 0.02 . 3 . . . . 90 TYR QD . 11080 1 975 . 1 1 90 90 TYR HE1 H 1 6.875 0.02 . 3 . . . . 90 TYR QE . 11080 1 976 . 1 1 90 90 TYR HE2 H 1 6.875 0.02 . 3 . . . . 90 TYR QE . 11080 1 977 . 1 1 90 90 TYR CA C 13 57.336 0.2 . 1 . . . . 90 TYR CA . 11080 1 978 . 1 1 90 90 TYR CB C 13 41.829 0.2 . 1 . . . . 90 TYR CB . 11080 1 979 . 1 1 90 90 TYR CD1 C 13 132.244 0.2 . 3 . . . . 90 TYR CD1 . 11080 1 980 . 1 1 90 90 TYR CD2 C 13 132.244 0.2 . 3 . . . . 90 TYR CD2 . 11080 1 981 . 1 1 90 90 TYR CE1 C 13 118.136 0.2 . 3 . . . . 90 TYR CE1 . 11080 1 982 . 1 1 90 90 TYR CE2 C 13 118.136 0.2 . 3 . . . . 90 TYR CE2 . 11080 1 983 . 1 1 90 90 TYR N N 15 119.181 0.2 . 1 . . . . 90 TYR N . 11080 1 984 . 1 1 91 91 HIS H H 1 9.879 0.02 . 1 . . . . 91 HIS H . 11080 1 985 . 1 1 91 91 HIS HA H 1 5.557 0.02 . 1 . . . . 91 HIS HA . 11080 1 986 . 1 1 91 91 HIS HB2 H 1 3.214 0.02 . 2 . . . . 91 HIS HB2 . 11080 1 987 . 1 1 91 91 HIS HB3 H 1 3.038 0.02 . 2 . . . . 91 HIS HB3 . 11080 1 988 . 1 1 91 91 HIS HD1 H 1 10.021 0.02 . 1 . . . . 91 HIS HD1 . 11080 1 989 . 1 1 91 91 HIS HD2 H 1 7.242 0.02 . 1 . . . . 91 HIS HD2 . 11080 1 990 . 1 1 91 91 HIS HE1 H 1 6.603 0.02 . 1 . . . . 91 HIS HE1 . 11080 1 991 . 1 1 91 91 HIS CA C 13 54.446 0.2 . 1 . . . . 91 HIS CA . 11080 1 992 . 1 1 91 91 HIS CB C 13 31.297 0.2 . 1 . . . . 91 HIS CB . 11080 1 993 . 1 1 91 91 HIS CD2 C 13 130.824 0.2 . 1 . . . . 91 HIS CD2 . 11080 1 994 . 1 1 91 91 HIS CE1 C 13 129.158 0.2 . 1 . . . . 91 HIS CE1 . 11080 1 995 . 1 1 91 91 HIS N N 15 120.399 0.2 . 1 . . . . 91 HIS N . 11080 1 996 . 1 1 92 92 VAL H H 1 9.102 0.02 . 1 . . . . 92 VAL H . 11080 1 997 . 1 1 92 92 VAL HA H 1 3.987 0.02 . 1 . . . . 92 VAL HA . 11080 1 998 . 1 1 92 92 VAL HB H 1 1.855 0.02 . 1 . . . . 92 VAL HB . 11080 1 999 . 1 1 92 92 VAL HG11 H 1 0.747 0.02 . 1 . . . . 92 VAL QG1 . 11080 1 1000 . 1 1 92 92 VAL HG12 H 1 0.747 0.02 . 1 . . . . 92 VAL QG1 . 11080 1 1001 . 1 1 92 92 VAL HG13 H 1 0.747 0.02 . 1 . . . . 92 VAL QG1 . 11080 1 1002 . 1 1 92 92 VAL HG21 H 1 0.810 0.02 . 1 . . . . 92 VAL QG2 . 11080 1 1003 . 1 1 92 92 VAL HG22 H 1 0.810 0.02 . 1 . . . . 92 VAL QG2 . 11080 1 1004 . 1 1 92 92 VAL HG23 H 1 0.810 0.02 . 1 . . . . 92 VAL QG2 . 11080 1 1005 . 1 1 92 92 VAL CA C 13 63.928 0.2 . 1 . . . . 92 VAL CA . 11080 1 1006 . 1 1 92 92 VAL CB C 13 33.222 0.2 . 1 . . . . 92 VAL CB . 11080 1 1007 . 1 1 92 92 VAL CG1 C 13 20.770 0.2 . 2 . . . . 92 VAL CG1 . 11080 1 1008 . 1 1 92 92 VAL CG2 C 13 21.531 0.2 . 2 . . . . 92 VAL CG2 . 11080 1 1009 . 1 1 92 92 VAL N N 15 122.606 0.2 . 1 . . . . 92 VAL N . 11080 1 1010 . 1 1 93 93 ILE H H 1 8.623 0.02 . 1 . . . . 93 ILE H . 11080 1 1011 . 1 1 93 93 ILE HA H 1 4.779 0.02 . 1 . . . . 93 ILE HA . 11080 1 1012 . 1 1 93 93 ILE HB H 1 1.362 0.02 . 1 . . . . 93 ILE HB . 11080 1 1013 . 1 1 93 93 ILE HD11 H 1 -0.100 0.02 . 1 . . . . 93 ILE QD1 . 11080 1 1014 . 1 1 93 93 ILE HD12 H 1 -0.100 0.02 . 1 . . . . 93 ILE QD1 . 11080 1 1015 . 1 1 93 93 ILE HD13 H 1 -0.100 0.02 . 1 . . . . 93 ILE QD1 . 11080 1 1016 . 1 1 93 93 ILE HG12 H 1 0.545 0.02 . 2 . . . . 93 ILE HG12 . 11080 1 1017 . 1 1 93 93 ILE HG13 H 1 1.481 0.02 . 2 . . . . 93 ILE HG13 . 11080 1 1018 . 1 1 93 93 ILE HG21 H 1 0.643 0.02 . 1 . . . . 93 ILE QG2 . 11080 1 1019 . 1 1 93 93 ILE HG22 H 1 0.643 0.02 . 1 . . . . 93 ILE QG2 . 11080 1 1020 . 1 1 93 93 ILE HG23 H 1 0.643 0.02 . 1 . . . . 93 ILE QG2 . 11080 1 1021 . 1 1 93 93 ILE CA C 13 60.936 0.2 . 1 . . . . 93 ILE CA . 11080 1 1022 . 1 1 93 93 ILE CB C 13 41.772 0.2 . 1 . . . . 93 ILE CB . 11080 1 1023 . 1 1 93 93 ILE CD1 C 13 13.981 0.2 . 1 . . . . 93 ILE CD1 . 11080 1 1024 . 1 1 93 93 ILE CG1 C 13 27.862 0.2 . 1 . . . . 93 ILE CG1 . 11080 1 1025 . 1 1 93 93 ILE CG2 C 13 17.878 0.2 . 1 . . . . 93 ILE CG2 . 11080 1 1026 . 1 1 93 93 ILE N N 15 128.087 0.2 . 1 . . . . 93 ILE N . 11080 1 1027 . 1 1 94 94 LYS H H 1 8.881 0.02 . 1 . . . . 94 LYS H . 11080 1 1028 . 1 1 94 94 LYS HA H 1 5.311 0.02 . 1 . . . . 94 LYS HA . 11080 1 1029 . 1 1 94 94 LYS HB2 H 1 0.604 0.02 . 2 . . . . 94 LYS HB2 . 11080 1 1030 . 1 1 94 94 LYS HB3 H 1 0.719 0.02 . 2 . . . . 94 LYS HB3 . 11080 1 1031 . 1 1 94 94 LYS HD2 H 1 0.931 0.02 . 2 . . . . 94 LYS HD2 . 11080 1 1032 . 1 1 94 94 LYS HD3 H 1 1.115 0.02 . 2 . . . . 94 LYS HD3 . 11080 1 1033 . 1 1 94 94 LYS HE2 H 1 2.628 0.02 . 2 . . . . 94 LYS HE2 . 11080 1 1034 . 1 1 94 94 LYS HE3 H 1 2.656 0.02 . 2 . . . . 94 LYS HE3 . 11080 1 1035 . 1 1 94 94 LYS HG2 H 1 0.838 0.02 . 2 . . . . 94 LYS HG2 . 11080 1 1036 . 1 1 94 94 LYS HG3 H 1 0.613 0.02 . 2 . . . . 94 LYS HG3 . 11080 1 1037 . 1 1 94 94 LYS CA C 13 54.233 0.2 . 1 . . . . 94 LYS CA . 11080 1 1038 . 1 1 94 94 LYS CB C 13 36.488 0.2 . 1 . . . . 94 LYS CB . 11080 1 1039 . 1 1 94 94 LYS CD C 13 30.125 0.2 . 1 . . . . 94 LYS CD . 11080 1 1040 . 1 1 94 94 LYS CE C 13 42.276 0.2 . 1 . . . . 94 LYS CE . 11080 1 1041 . 1 1 94 94 LYS CG C 13 25.369 0.2 . 1 . . . . 94 LYS CG . 11080 1 1042 . 1 1 94 94 LYS N N 15 125.877 0.2 . 1 . . . . 94 LYS N . 11080 1 1043 . 1 1 95 95 ARG H H 1 7.955 0.02 . 1 . . . . 95 ARG H . 11080 1 1044 . 1 1 95 95 ARG HA H 1 5.023 0.02 . 1 . . . . 95 ARG HA . 11080 1 1045 . 1 1 95 95 ARG HB2 H 1 2.123 0.02 . 2 . . . . 95 ARG HB2 . 11080 1 1046 . 1 1 95 95 ARG HB3 H 1 1.507 0.02 . 2 . . . . 95 ARG HB3 . 11080 1 1047 . 1 1 95 95 ARG HD2 H 1 3.250 0.02 . 2 . . . . 95 ARG HD2 . 11080 1 1048 . 1 1 95 95 ARG HD3 H 1 3.174 0.02 . 2 . . . . 95 ARG HD3 . 11080 1 1049 . 1 1 95 95 ARG HG2 H 1 1.877 0.02 . 2 . . . . 95 ARG HG2 . 11080 1 1050 . 1 1 95 95 ARG HG3 H 1 1.728 0.02 . 2 . . . . 95 ARG HG3 . 11080 1 1051 . 1 1 95 95 ARG CA C 13 56.014 0.2 . 1 . . . . 95 ARG CA . 11080 1 1052 . 1 1 95 95 ARG CB C 13 29.757 0.2 . 1 . . . . 95 ARG CB . 11080 1 1053 . 1 1 95 95 ARG CD C 13 43.592 0.2 . 1 . . . . 95 ARG CD . 11080 1 1054 . 1 1 95 95 ARG CG C 13 28.044 0.2 . 1 . . . . 95 ARG CG . 11080 1 1055 . 1 1 95 95 ARG N N 15 126.274 0.2 . 1 . . . . 95 ARG N . 11080 1 1056 . 1 1 96 96 LEU H H 1 9.017 0.02 . 1 . . . . 96 LEU H . 11080 1 1057 . 1 1 96 96 LEU HA H 1 4.587 0.02 . 1 . . . . 96 LEU HA . 11080 1 1058 . 1 1 96 96 LEU HB2 H 1 1.689 0.02 . 2 . . . . 96 LEU HB2 . 11080 1 1059 . 1 1 96 96 LEU HB3 H 1 1.082 0.02 . 2 . . . . 96 LEU HB3 . 11080 1 1060 . 1 1 96 96 LEU HD11 H 1 0.771 0.02 . 1 . . . . 96 LEU QD1 . 11080 1 1061 . 1 1 96 96 LEU HD12 H 1 0.771 0.02 . 1 . . . . 96 LEU QD1 . 11080 1 1062 . 1 1 96 96 LEU HD13 H 1 0.771 0.02 . 1 . . . . 96 LEU QD1 . 11080 1 1063 . 1 1 96 96 LEU HD21 H 1 0.722 0.02 . 1 . . . . 96 LEU QD2 . 11080 1 1064 . 1 1 96 96 LEU HD22 H 1 0.722 0.02 . 1 . . . . 96 LEU QD2 . 11080 1 1065 . 1 1 96 96 LEU HD23 H 1 0.722 0.02 . 1 . . . . 96 LEU QD2 . 11080 1 1066 . 1 1 96 96 LEU HG H 1 1.472 0.02 . 1 . . . . 96 LEU HG . 11080 1 1067 . 1 1 96 96 LEU CA C 13 54.521 0.2 . 1 . . . . 96 LEU CA . 11080 1 1068 . 1 1 96 96 LEU CB C 13 44.384 0.2 . 1 . . . . 96 LEU CB . 11080 1 1069 . 1 1 96 96 LEU CD1 C 13 24.900 0.2 . 2 . . . . 96 LEU CD1 . 11080 1 1070 . 1 1 96 96 LEU CD2 C 13 23.403 0.2 . 2 . . . . 96 LEU CD2 . 11080 1 1071 . 1 1 96 96 LEU CG C 13 28.318 0.2 . 1 . . . . 96 LEU CG . 11080 1 1072 . 1 1 96 96 LEU N N 15 129.551 0.2 . 1 . . . . 96 LEU N . 11080 1 1073 . 1 1 97 97 GLY H H 1 7.956 0.02 . 1 . . . . 97 GLY H . 11080 1 1074 . 1 1 97 97 GLY HA2 H 1 3.939 0.02 . 2 . . . . 97 GLY HA2 . 11080 1 1075 . 1 1 97 97 GLY HA3 H 1 3.595 0.02 . 2 . . . . 97 GLY HA3 . 11080 1 1076 . 1 1 97 97 GLY CA C 13 47.197 0.2 . 1 . . . . 97 GLY CA . 11080 1 1077 . 1 1 97 97 GLY N N 15 114.322 0.2 . 1 . . . . 97 GLY N . 11080 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 11080 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0.9 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '2D 1H-15N HSQC No.2' 1 $sample_1 isotropic 11080 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $SPARKY . . 11080 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 9 9 LYS H H 1 . 1 1 9 9 LYS N N 15 0.51 0.03 . . . 9 LYS H . 9 LYS N 11080 1 2 . 1 1 10 10 ILE H H 1 . 1 1 10 10 ILE N N 15 0.78 0.07 . . . 10 ILE H . 10 ILE N 11080 1 3 . 1 1 11 11 LYS H H 1 . 1 1 11 11 LYS N N 15 0.84 0.08 . . . 11 LYS H . 11 LYS N 11080 1 4 . 1 1 12 12 CYS H H 1 . 1 1 12 12 CYS N N 15 0.79 0.07 . . . 12 CYS H . 12 CYS N 11080 1 5 . 1 1 13 13 SER H H 1 . 1 1 13 13 SER N N 15 0.64 0.05 . . . 13 SER H . 13 SER N 11080 1 6 . 1 1 14 14 HIS H H 1 . 1 1 14 14 HIS N N 15 0.67 0.05 . . . 14 HIS H . 14 HIS N 11080 1 7 . 1 1 16 16 LEU H H 1 . 1 1 16 16 LEU N N 15 0.72 0.06 . . . 16 LEU H . 16 LEU N 11080 1 8 . 1 1 18 18 LYS H H 1 . 1 1 18 18 LYS N N 15 0.79 0.05 . . . 18 LYS H . 18 LYS N 11080 1 9 . 1 1 19 19 LYS H H 1 . 1 1 19 19 LYS N N 15 0.71 0.04 . . . 19 LYS H . 19 LYS N 11080 1 10 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.74 0.07 . . . 20 GLN H . 20 GLN N 11080 1 11 . 1 1 22 22 GLU H H 1 . 1 1 22 22 GLU N N 15 0.67 0.05 . . . 22 GLU H . 22 GLU N 11080 1 12 . 1 1 23 23 ALA H H 1 . 1 1 23 23 ALA N N 15 0.82 0.06 . . . 23 ALA H . 23 ALA N 11080 1 13 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.65 0.04 . . . 24 LEU H . 24 LEU N 11080 1 14 . 1 1 25 25 ALA H H 1 . 1 1 25 25 ALA N N 15 0.81 0.04 . . . 25 ALA H . 25 ALA N 11080 1 15 . 1 1 26 26 VAL H H 1 . 1 1 26 26 VAL N N 15 0.75 0.04 . . . 26 VAL H . 26 VAL N 11080 1 16 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.74 0.04 . . . 27 GLN H . 27 GLN N 11080 1 17 . 1 1 28 28 GLU H H 1 . 1 1 28 28 GLU N N 15 0.82 0.05 . . . 28 GLU H . 28 GLU N 11080 1 18 . 1 1 29 29 ARG H H 1 . 1 1 29 29 ARG N N 15 0.71 0.04 . . . 29 ARG H . 29 ARG N 11080 1 19 . 1 1 30 30 LEU H H 1 . 1 1 30 30 LEU N N 15 0.78 0.05 . . . 30 LEU H . 30 LEU N 11080 1 20 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.56 0.03 . . . 31 LYS H . 31 LYS N 11080 1 21 . 1 1 32 32 ALA H H 1 . 1 1 32 32 ALA N N 15 0.73 0.04 . . . 32 ALA H . 32 ALA N 11080 1 22 . 1 1 33 33 GLY H H 1 . 1 1 33 33 GLY N N 15 0.85 0.05 . . . 33 GLY H . 33 GLY N 11080 1 23 . 1 1 34 34 GLU H H 1 . 1 1 34 34 GLU N N 15 0.74 0.04 . . . 34 GLU H . 34 GLU N 11080 1 24 . 1 1 35 35 LYS H H 1 . 1 1 35 35 LYS N N 15 0.70 0.05 . . . 35 LYS H . 35 LYS N 11080 1 25 . 1 1 36 36 PHE H H 1 . 1 1 36 36 PHE N N 15 0.83 0.15 . . . 36 PHE H . 36 PHE N 11080 1 26 . 1 1 37 37 GLY H H 1 . 1 1 37 37 GLY N N 15 0.62 0.05 . . . 37 GLY H . 37 GLY N 11080 1 27 . 1 1 38 38 LYS H H 1 . 1 1 38 38 LYS N N 15 0.62 0.04 . . . 38 LYS H . 38 LYS N 11080 1 28 . 1 1 39 39 LEU H H 1 . 1 1 39 39 LEU N N 15 0.81 0.06 . . . 39 LEU H . 39 LEU N 11080 1 29 . 1 1 40 40 ALA H H 1 . 1 1 40 40 ALA N N 15 0.72 0.04 . . . 40 ALA H . 40 ALA N 11080 1 30 . 1 1 41 41 LYS H H 1 . 1 1 41 41 LYS N N 15 0.82 0.05 . . . 41 LYS H . 41 LYS N 11080 1 31 . 1 1 42 42 GLU H H 1 . 1 1 42 42 GLU N N 15 0.70 0.04 . . . 42 GLU H . 42 GLU N 11080 1 32 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.87 0.07 . . . 43 LEU H . 43 LEU N 11080 1 33 . 1 1 45 45 ILE H H 1 . 1 1 45 45 ILE N N 15 0.79 0.08 . . . 45 ILE H . 45 ILE N 11080 1 34 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.77 0.06 . . . 46 ASP H . 46 ASP N 11080 1 35 . 1 1 49 49 SER H H 1 . 1 1 49 49 SER N N 15 0.65 0.07 . . . 49 SER H . 49 SER N 11080 1 36 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.75 0.06 . . . 50 ALA H . 50 ALA N 11080 1 37 . 1 1 51 51 LYS H H 1 . 1 1 51 51 LYS N N 15 0.81 0.07 . . . 51 LYS H . 51 LYS N 11080 1 38 . 1 1 52 52 ARG H H 1 . 1 1 52 52 ARG N N 15 0.76 0.08 . . . 52 ARG H . 52 ARG N 11080 1 39 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.82 0.10 . . . 53 ASP H . 53 ASP N 11080 1 40 . 1 1 54 54 GLY H H 1 . 1 1 54 54 GLY N N 15 0.76 0.06 . . . 54 GLY H . 54 GLY N 11080 1 41 . 1 1 55 55 SER H H 1 . 1 1 55 55 SER N N 15 0.73 0.05 . . . 55 SER H . 55 SER N 11080 1 42 . 1 1 56 56 LEU H H 1 . 1 1 56 56 LEU N N 15 0.68 0.06 . . . 56 LEU H . 56 LEU N 11080 1 43 . 1 1 57 57 GLY H H 1 . 1 1 57 57 GLY N N 15 0.71 0.05 . . . 57 GLY H . 57 GLY N 11080 1 44 . 1 1 58 58 TYR H H 1 . 1 1 58 58 TYR N N 15 0.77 0.06 . . . 58 TYR H . 58 TYR N 11080 1 45 . 1 1 59 59 PHE H H 1 . 1 1 59 59 PHE N N 15 0.75 0.06 . . . 59 PHE H . 59 PHE N 11080 1 46 . 1 1 60 60 GLY H H 1 . 1 1 60 60 GLY N N 15 0.66 0.05 . . . 60 GLY H . 60 GLY N 11080 1 47 . 1 1 61 61 ARG H H 1 . 1 1 61 61 ARG N N 15 0.82 0.05 . . . 61 ARG H . 61 ARG N 11080 1 48 . 1 1 62 62 GLY H H 1 . 1 1 62 62 GLY N N 15 0.72 0.07 . . . 62 GLY H . 62 GLY N 11080 1 49 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.81 0.06 . . . 63 LYS H . 63 LYS N 11080 1 50 . 1 1 66 66 LYS H H 1 . 1 1 66 66 LYS N N 15 0.80 0.09 . . . 66 LYS H . 66 LYS N 11080 1 51 . 1 1 68 68 PHE H H 1 . 1 1 68 68 PHE N N 15 0.86 0.07 . . . 68 PHE H . 68 PHE N 11080 1 52 . 1 1 69 69 GLU H H 1 . 1 1 69 69 GLU N N 15 0.76 0.06 . . . 69 GLU H . 69 GLU N 11080 1 53 . 1 1 70 70 ASP H H 1 . 1 1 70 70 ASP N N 15 0.74 0.05 . . . 70 ASP H . 70 ASP N 11080 1 54 . 1 1 71 71 ALA H H 1 . 1 1 71 71 ALA N N 15 0.77 0.05 . . . 71 ALA H . 71 ALA N 11080 1 55 . 1 1 72 72 ALA H H 1 . 1 1 72 72 ALA N N 15 0.79 0.05 . . . 72 ALA H . 72 ALA N 11080 1 56 . 1 1 74 74 ARG H H 1 . 1 1 74 74 ARG N N 15 0.69 0.04 . . . 74 ARG H . 74 ARG N 11080 1 57 . 1 1 75 75 LEU H H 1 . 1 1 75 75 LEU N N 15 0.69 0.04 . . . 75 LEU H . 75 LEU N 11080 1 58 . 1 1 76 76 GLN H H 1 . 1 1 76 76 GLN N N 15 0.80 0.07 . . . 76 GLN H . 76 GLN N 11080 1 59 . 1 1 81 81 SER H H 1 . 1 1 81 81 SER N N 15 0.90 0.07 . . . 81 SER H . 81 SER N 11080 1 60 . 1 1 82 82 GLU H H 1 . 1 1 82 82 GLU N N 15 0.71 0.05 . . . 82 GLU H . 82 GLU N 11080 1 61 . 1 1 84 84 VAL H H 1 . 1 1 84 84 VAL N N 15 0.79 0.06 . . . 84 VAL H . 84 VAL N 11080 1 62 . 1 1 85 85 LYS H H 1 . 1 1 85 85 LYS N N 15 0.75 0.05 . . . 85 LYS H . 85 LYS N 11080 1 63 . 1 1 86 86 SER H H 1 . 1 1 86 86 SER N N 15 0.85 0.08 . . . 86 SER H . 86 SER N 11080 1 64 . 1 1 87 87 GLU H H 1 . 1 1 87 87 GLU N N 15 0.74 0.12 . . . 87 GLU H . 87 GLU N 11080 1 65 . 1 1 88 88 PHE H H 1 . 1 1 88 88 PHE N N 15 0.69 0.05 . . . 88 PHE H . 88 PHE N 11080 1 66 . 1 1 89 89 GLY H H 1 . 1 1 89 89 GLY N N 15 0.97 0.07 . . . 89 GLY H . 89 GLY N 11080 1 67 . 1 1 90 90 TYR H H 1 . 1 1 90 90 TYR N N 15 0.81 0.07 . . . 90 TYR H . 90 TYR N 11080 1 68 . 1 1 91 91 HIS H H 1 . 1 1 91 91 HIS N N 15 0.71 0.06 . . . 91 HIS H . 91 HIS N 11080 1 69 . 1 1 92 92 VAL H H 1 . 1 1 92 92 VAL N N 15 0.81 0.06 . . . 92 VAL H . 92 VAL N 11080 1 70 . 1 1 93 93 ILE H H 1 . 1 1 93 93 ILE N N 15 0.85 0.08 . . . 93 ILE H . 93 ILE N 11080 1 71 . 1 1 94 94 LYS H H 1 . 1 1 94 94 LYS N N 15 0.70 0.05 . . . 94 LYS H . 94 LYS N 11080 1 72 . 1 1 95 95 ARG H H 1 . 1 1 95 95 ARG N N 15 0.76 0.06 . . . 95 ARG H . 95 ARG N 11080 1 73 . 1 1 96 96 LEU H H 1 . 1 1 96 96 LEU N N 15 0.90 0.10 . . . 96 LEU H . 96 LEU N 11080 1 74 . 1 1 97 97 GLY H H 1 . 1 1 97 97 GLY N N 15 0.72 0.05 . . . 97 GLY H . 97 GLY N 11080 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 11080 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '2D 1H-15N HSQC No.2' 1 $sample_1 isotropic 11080 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $SPARKY . . 11080 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 9 9 LYS N N 15 1.90 0.02 . . 9 LYS N 11080 1 2 . 1 1 10 10 ILE N N 15 2.07 0.06 . . 10 ILE N 11080 1 3 . 1 1 11 11 LYS N N 15 2.02 0.03 . . 11 LYS N 11080 1 4 . 1 1 12 12 CYS N N 15 2.09 0.05 . . 12 CYS N 11080 1 5 . 1 1 13 13 SER N N 15 2.08 0.04 . . 13 SER N 11080 1 6 . 1 1 14 14 HIS N N 15 2.14 0.05 . . 14 HIS N 11080 1 7 . 1 1 16 16 LEU N N 15 2.09 0.04 . . 16 LEU N 11080 1 8 . 1 1 18 18 LYS N N 15 1.95 0.04 . . 18 LYS N 11080 1 9 . 1 1 19 19 LYS N N 15 1.90 0.03 . . 19 LYS N 11080 1 10 . 1 1 20 20 GLN N N 15 2.19 0.07 . . 20 GLN N 11080 1 11 . 1 1 22 22 GLU N N 15 2.10 0.04 . . 22 GLU N 11080 1 12 . 1 1 23 23 ALA N N 15 2.05 0.04 . . 23 ALA N 11080 1 13 . 1 1 24 24 LEU N N 15 2.06 0.03 . . 24 LEU N 11080 1 14 . 1 1 25 25 ALA N N 15 2.05 0.04 . . 25 ALA N 11080 1 15 . 1 1 26 26 VAL N N 15 2.04 0.04 . . 26 VAL N 11080 1 16 . 1 1 27 27 GLN N N 15 2.01 0.04 . . 27 GLN N 11080 1 17 . 1 1 28 28 GLU N N 15 2.10 0.02 . . 28 GLU N 11080 1 18 . 1 1 29 29 ARG N N 15 2.06 0.06 . . 29 ARG N 11080 1 19 . 1 1 30 30 LEU N N 15 2.03 0.04 . . 30 LEU N 11080 1 20 . 1 1 31 31 LYS N N 15 2.03 0.04 . . 31 LYS N 11080 1 21 . 1 1 32 32 ALA N N 15 1.97 0.02 . . 32 ALA N 11080 1 22 . 1 1 33 33 GLY N N 15 2.00 0.05 . . 33 GLY N 11080 1 23 . 1 1 34 34 GLU N N 15 2.06 0.04 . . 34 GLU N 11080 1 24 . 1 1 35 35 LYS N N 15 1.86 0.06 . . 35 LYS N 11080 1 25 . 1 1 36 36 PHE N N 15 1.91 0.16 . . 36 PHE N 11080 1 26 . 1 1 37 37 GLY N N 15 2.22 0.11 . . 37 GLY N 11080 1 27 . 1 1 38 38 LYS N N 15 1.98 0.05 . . 38 LYS N 11080 1 28 . 1 1 39 39 LEU N N 15 2.02 0.04 . . 39 LEU N 11080 1 29 . 1 1 40 40 ALA N N 15 2.08 0.03 . . 40 ALA N 11080 1 30 . 1 1 41 41 LYS N N 15 2.07 0.05 . . 41 LYS N 11080 1 31 . 1 1 42 42 GLU N N 15 2.04 0.03 . . 42 GLU N 11080 1 32 . 1 1 43 43 LEU N N 15 2.07 0.05 . . 43 LEU N 11080 1 33 . 1 1 45 45 ILE N N 15 2.06 0.08 . . 45 ILE N 11080 1 34 . 1 1 46 46 ASP N N 15 2.15 0.05 . . 46 ASP N 11080 1 35 . 1 1 49 49 SER N N 15 1.96 0.04 . . 49 SER N 11080 1 36 . 1 1 50 50 ALA N N 15 2.44 0.12 . . 50 ALA N 11080 1 37 . 1 1 51 51 LYS N N 15 2.16 0.12 . . 51 LYS N 11080 1 38 . 1 1 52 52 ARG N N 15 2.13 0.10 . . 52 ARG N 11080 1 39 . 1 1 53 53 ASP N N 15 2.24 0.13 . . 53 ASP N 11080 1 40 . 1 1 54 54 GLY N N 15 2.24 0.03 . . 54 GLY N 11080 1 41 . 1 1 55 55 SER N N 15 2.10 0.04 . . 55 SER N 11080 1 42 . 1 1 56 56 LEU N N 15 2.19 0.07 . . 56 LEU N 11080 1 43 . 1 1 57 57 GLY N N 15 2.03 0.04 . . 57 GLY N 11080 1 44 . 1 1 58 58 TYR N N 15 2.04 0.03 . . 58 TYR N 11080 1 45 . 1 1 59 59 PHE N N 15 2.08 0.04 . . 59 PHE N 11080 1 46 . 1 1 60 60 GLY N N 15 2.02 0.03 . . 60 GLY N 11080 1 47 . 1 1 61 61 ARG N N 15 1.95 0.05 . . 61 ARG N 11080 1 48 . 1 1 62 62 GLY N N 15 1.88 0.04 . . 62 GLY N 11080 1 49 . 1 1 63 63 LYS N N 15 2.00 0.05 . . 63 LYS N 11080 1 50 . 1 1 66 66 LYS N N 15 2.23 0.12 . . 66 LYS N 11080 1 51 . 1 1 68 68 PHE N N 15 2.15 0.06 . . 68 PHE N 11080 1 52 . 1 1 69 69 GLU N N 15 2.15 0.06 . . 69 GLU N 11080 1 53 . 1 1 70 70 ASP N N 15 2.07 0.04 . . 70 ASP N 11080 1 54 . 1 1 71 71 ALA N N 15 2.06 0.05 . . 71 ALA N 11080 1 55 . 1 1 72 72 ALA N N 15 2.08 0.04 . . 72 ALA N 11080 1 56 . 1 1 74 74 ARG N N 15 2.02 0.05 . . 74 ARG N 11080 1 57 . 1 1 75 75 LEU N N 15 1.99 0.02 . . 75 LEU N 11080 1 58 . 1 1 76 76 GLN N N 15 1.89 0.02 . . 76 GLN N 11080 1 59 . 1 1 81 81 SER N N 15 2.09 0.07 . . 81 SER N 11080 1 60 . 1 1 82 82 GLU N N 15 1.78 0.03 . . 82 GLU N 11080 1 61 . 1 1 84 84 VAL N N 15 2.01 0.04 . . 84 VAL N 11080 1 62 . 1 1 85 85 LYS N N 15 2.05 0.02 . . 85 LYS N 11080 1 63 . 1 1 86 86 SER N N 15 1.91 0.04 . . 86 SER N 11080 1 64 . 1 1 87 87 GLU N N 15 2.12 0.13 . . 87 GLU N 11080 1 65 . 1 1 88 88 PHE N N 15 2.01 0.04 . . 88 PHE N 11080 1 66 . 1 1 89 89 GLY N N 15 2.00 0.03 . . 89 GLY N 11080 1 67 . 1 1 90 90 TYR N N 15 2.00 0.05 . . 90 TYR N 11080 1 68 . 1 1 91 91 HIS N N 15 2.09 0.08 . . 91 HIS N 11080 1 69 . 1 1 92 92 VAL N N 15 1.96 0.05 . . 92 VAL N 11080 1 70 . 1 1 93 93 ILE N N 15 2.01 0.07 . . 93 ILE N 11080 1 71 . 1 1 94 94 LYS N N 15 2.15 0.05 . . 94 LYS N 11080 1 72 . 1 1 95 95 ARG N N 15 2.09 0.03 . . 95 ARG N 11080 1 73 . 1 1 96 96 LEU N N 15 2.18 0.06 . . 96 LEU N 11080 1 74 . 1 1 97 97 GLY N N 15 1.96 0.05 . . 97 GLY N 11080 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 11080 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 13 '2D 1H-15N HSQC No.3' 1 $sample_1 isotropic 11080 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $SPARKY . . 11080 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 9 9 LYS N N 15 1.51 0.03 . . 9 LYS N 11080 2 2 . 1 1 10 10 ILE N N 15 1.45 0.01 . . 10 ILE N 11080 2 3 . 1 1 11 11 LYS N N 15 1.51 0.04 . . 11 LYS N 11080 2 4 . 1 1 12 12 CYS N N 15 1.45 0.02 . . 12 CYS N 11080 2 5 . 1 1 13 13 SER N N 15 1.47 0.02 . . 13 SER N 11080 2 6 . 1 1 14 14 HIS N N 15 1.61 0.01 . . 14 HIS N 11080 2 7 . 1 1 15 15 ILE N N 15 1.38 0.01 . . 15 ILE N 11080 2 8 . 1 1 16 16 LEU N N 15 1.53 0.03 . . 16 LEU N 11080 2 9 . 1 1 17 17 VAL N N 15 1.46 0.02 . . 17 VAL N 11080 2 10 . 1 1 18 18 LYS N N 15 1.33 0.02 . . 18 LYS N 11080 2 11 . 1 1 19 19 LYS N N 15 1.36 0.01 . . 19 LYS N 11080 2 12 . 1 1 20 20 GLN N N 15 1.71 0.07 . . 20 GLN N 11080 2 13 . 1 1 22 22 GLU N N 15 1.53 0.02 . . 22 GLU N 11080 2 14 . 1 1 23 23 ALA N N 15 1.43 0.01 . . 23 ALA N 11080 2 15 . 1 1 24 24 LEU N N 15 1.45 0.01 . . 24 LEU N 11080 2 16 . 1 1 25 25 ALA N N 15 1.45 0.01 . . 25 ALA N 11080 2 17 . 1 1 26 26 VAL N N 15 1.41 0.01 . . 26 VAL N 11080 2 18 . 1 1 27 27 GLN N N 15 1.45 0.02 . . 27 GLN N 11080 2 19 . 1 1 28 28 GLU N N 15 1.46 0.02 . . 28 GLU N 11080 2 20 . 1 1 29 29 ARG N N 15 1.51 0.03 . . 29 ARG N 11080 2 21 . 1 1 30 30 LEU N N 15 1.44 0.02 . . 30 LEU N 11080 2 22 . 1 1 31 31 LYS N N 15 1.51 0.03 . . 31 LYS N 11080 2 23 . 1 1 32 32 ALA N N 15 1.32 0.02 . . 32 ALA N 11080 2 24 . 1 1 33 33 GLY N N 15 1.36 0.02 . . 33 GLY N 11080 2 25 . 1 1 34 34 GLU N N 15 1.53 0.03 . . 34 GLU N 11080 2 26 . 1 1 35 35 LYS N N 15 1.34 0.01 . . 35 LYS N 11080 2 27 . 1 1 36 36 PHE N N 15 1.72 0.17 . . 36 PHE N 11080 2 28 . 1 1 37 37 GLY N N 15 1.71 0.07 . . 37 GLY N 11080 2 29 . 1 1 38 38 LYS N N 15 1.45 0.02 . . 38 LYS N 11080 2 30 . 1 1 39 39 LEU N N 15 1.46 0.04 . . 39 LEU N 11080 2 31 . 1 1 40 40 ALA N N 15 1.58 0.01 . . 40 ALA N 11080 2 32 . 1 1 41 41 LYS N N 15 1.44 0.03 . . 41 LYS N 11080 2 33 . 1 1 42 42 GLU N N 15 1.39 0.01 . . 42 GLU N 11080 2 34 . 1 1 43 43 LEU N N 15 1.41 0.02 . . 43 LEU N 11080 2 35 . 1 1 44 44 SER N N 15 1.43 0.01 . . 44 SER N 11080 2 36 . 1 1 45 45 ILE N N 15 1.53 0.02 . . 45 ILE N 11080 2 37 . 1 1 46 46 ASP N N 15 1.57 0.03 . . 46 ASP N 11080 2 38 . 1 1 47 47 GLY N N 15 1.59 0.19 . . 47 GLY N 11080 2 39 . 1 1 48 48 GLY N N 15 1.79 0.08 . . 48 GLY N 11080 2 40 . 1 1 49 49 SER N N 15 1.79 0.09 . . 49 SER N 11080 2 41 . 1 1 50 50 ALA N N 15 1.82 0.05 . . 50 ALA N 11080 2 42 . 1 1 51 51 LYS N N 15 1.71 0.05 . . 51 LYS N 11080 2 43 . 1 1 52 52 ARG N N 15 1.75 0.07 . . 52 ARG N 11080 2 44 . 1 1 53 53 ASP N N 15 1.82 0.14 . . 53 ASP N 11080 2 45 . 1 1 54 54 GLY N N 15 1.70 0.02 . . 54 GLY N 11080 2 46 . 1 1 55 55 SER N N 15 1.60 0.03 . . 55 SER N 11080 2 47 . 1 1 56 56 LEU N N 15 1.56 0.04 . . 56 LEU N 11080 2 48 . 1 1 57 57 GLY N N 15 1.52 0.03 . . 57 GLY N 11080 2 49 . 1 1 58 58 TYR N N 15 1.52 0.01 . . 58 TYR N 11080 2 50 . 1 1 59 59 PHE N N 15 1.48 0.02 . . 59 PHE N 11080 2 51 . 1 1 60 60 GLY N N 15 1.45 0.04 . . 60 GLY N 11080 2 52 . 1 1 61 61 ARG N N 15 1.46 0.03 . . 61 ARG N 11080 2 53 . 1 1 62 62 GLY N N 15 1.48 0.03 . . 62 GLY N 11080 2 54 . 1 1 63 63 LYS N N 15 1.52 0.02 . . 63 LYS N 11080 2 55 . 1 1 64 64 MET N N 15 1.44 0.01 . . 64 MET N 11080 2 56 . 1 1 65 65 VAL N N 15 1.34 0.02 . . 65 VAL N 11080 2 57 . 1 1 66 66 LYS N N 15 1.65 0.04 . . 66 LYS N 11080 2 58 . 1 1 68 68 PHE N N 15 1.47 0.03 . . 68 PHE N 11080 2 59 . 1 1 69 69 GLU N N 15 1.50 0.01 . . 69 GLU N 11080 2 60 . 1 1 70 70 ASP N N 15 1.48 0.02 . . 70 ASP N 11080 2 61 . 1 1 71 71 ALA N N 15 1.45 0.02 . . 71 ALA N 11080 2 62 . 1 1 72 72 ALA N N 15 1.47 0.02 . . 72 ALA N 11080 2 63 . 1 1 73 73 PHE N N 15 1.44 0.01 . . 73 PHE N 11080 2 64 . 1 1 74 74 ARG N N 15 1.38 0.02 . . 74 ARG N 11080 2 65 . 1 1 75 75 LEU N N 15 1.43 0.01 . . 75 LEU N 11080 2 66 . 1 1 76 76 GLN N N 15 1.33 0.02 . . 76 GLN N 11080 2 67 . 1 1 77 77 VAL N N 15 1.38 0.01 . . 77 VAL N 11080 2 68 . 1 1 78 78 GLY N N 15 1.46 0.02 . . 78 GLY N 11080 2 69 . 1 1 79 79 GLU N N 15 1.47 0.05 . . 79 GLU N 11080 2 70 . 1 1 80 80 VAL N N 15 1.42 0.02 . . 80 VAL N 11080 2 71 . 1 1 81 81 SER N N 15 1.46 0.01 . . 81 SER N 11080 2 72 . 1 1 82 82 GLU N N 15 1.23 0.02 . . 82 GLU N 11080 2 73 . 1 1 84 84 VAL N N 15 1.40 0.03 . . 84 VAL N 11080 2 74 . 1 1 85 85 LYS N N 15 1.48 0.02 . . 85 LYS N 11080 2 75 . 1 1 86 86 SER N N 15 1.42 0.02 . . 86 SER N 11080 2 76 . 1 1 87 87 GLU N N 15 1.58 0.17 . . 87 GLU N 11080 2 77 . 1 1 88 88 PHE N N 15 1.49 0.02 . . 88 PHE N 11080 2 78 . 1 1 89 89 GLY N N 15 1.39 0.02 . . 89 GLY N 11080 2 79 . 1 1 90 90 TYR N N 15 1.34 0.02 . . 90 TYR N 11080 2 80 . 1 1 91 91 HIS N N 15 1.37 0.01 . . 91 HIS N 11080 2 81 . 1 1 92 92 VAL N N 15 1.37 0.01 . . 92 VAL N 11080 2 82 . 1 1 93 93 ILE N N 15 1.44 0.03 . . 93 ILE N 11080 2 83 . 1 1 94 94 LYS N N 15 1.51 0.02 . . 94 LYS N 11080 2 84 . 1 1 95 95 ARG N N 15 1.48 0.04 . . 95 ARG N 11080 2 85 . 1 1 96 96 LEU N N 15 1.51 0.02 . . 96 LEU N 11080 2 86 . 1 1 97 97 GLY N N 15 1.41 0.02 . . 97 GLY N 11080 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 11080 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 12 '2D 1H-15N HSQC No.2' 1 $sample_1 isotropic 11080 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $SPARKY . . 11080 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 9 9 LYS N N 15 7.27 0.12 . . . . 9 LYS N 11080 1 2 . 1 1 10 10 ILE N N 15 9.11 0.41 . . . . 10 ILE N 11080 1 3 . 1 1 11 11 LYS N N 15 8.79 0.28 . . . . 11 LYS N 11080 1 4 . 1 1 12 12 CYS N N 15 9.41 0.38 . . . . 12 CYS N 11080 1 5 . 1 1 13 13 SER N N 15 9.18 0.23 . . . . 13 SER N 11080 1 6 . 1 1 14 14 HIS N N 15 9.54 0.28 . . . . 14 HIS N 11080 1 7 . 1 1 16 16 LEU N N 15 9.48 0.29 . . . . 16 LEU N 11080 1 8 . 1 1 18 18 LYS N N 15 9.56 0.12 . . . . 18 LYS N 11080 1 9 . 1 1 19 19 LYS N N 15 8.72 0.19 . . . . 19 LYS N 11080 1 10 . 1 1 20 20 GLN N N 15 9.63 0.28 . . . . 20 GLN N 11080 1 11 . 1 1 22 22 GLU N N 15 9.27 0.27 . . . . 22 GLU N 11080 1 12 . 1 1 23 23 ALA N N 15 9.32 0.16 . . . . 23 ALA N 11080 1 13 . 1 1 24 24 LEU N N 15 9.21 0.12 . . . . 24 LEU N 11080 1 14 . 1 1 25 25 ALA N N 15 9.54 0.11 . . . . 25 ALA N 11080 1 15 . 1 1 26 26 VAL N N 15 8.94 0.17 . . . . 26 VAL N 11080 1 16 . 1 1 27 27 GLN N N 15 9.34 0.29 . . . . 27 GLN N 11080 1 17 . 1 1 28 28 GLU N N 15 9.63 0.25 . . . . 28 GLU N 11080 1 18 . 1 1 29 29 ARG N N 15 8.28 0.12 . . . . 29 ARG N 11080 1 19 . 1 1 30 30 LEU N N 15 9.62 0.19 . . . . 30 LEU N 11080 1 20 . 1 1 31 31 LYS N N 15 8.22 0.15 . . . . 31 LYS N 11080 1 21 . 1 1 32 32 ALA N N 15 9.14 0.19 . . . . 32 ALA N 11080 1 22 . 1 1 33 33 GLY N N 15 9.14 0.39 . . . . 33 GLY N 11080 1 23 . 1 1 34 34 GLU N N 15 9.18 0.24 . . . . 34 GLU N 11080 1 24 . 1 1 35 35 LYS N N 15 8.71 0.10 . . . . 35 LYS N 11080 1 25 . 1 1 36 36 PHE N N 15 9.00 1.03 . . . . 36 PHE N 11080 1 26 . 1 1 37 37 GLY N N 15 9.28 0.38 . . . . 37 GLY N 11080 1 27 . 1 1 38 38 LYS N N 15 8.92 0.14 . . . . 38 LYS N 11080 1 28 . 1 1 39 39 LEU N N 15 10.09 0.29 . . . . 39 LEU N 11080 1 29 . 1 1 40 40 ALA N N 15 8.64 0.21 . . . . 40 ALA N 11080 1 30 . 1 1 41 41 LYS N N 15 9.54 0.17 . . . . 41 LYS N 11080 1 31 . 1 1 42 42 GLU N N 15 9.65 0.19 . . . . 42 GLU N 11080 1 32 . 1 1 43 43 LEU N N 15 9.37 0.29 . . . . 43 LEU N 11080 1 33 . 1 1 45 45 ILE N N 15 9.59 0.42 . . . . 45 ILE N 11080 1 34 . 1 1 46 46 ASP N N 15 9.78 0.14 . . . . 46 ASP N 11080 1 35 . 1 1 49 49 SER N N 15 11.18 0.49 . . . . 49 SER N 11080 1 36 . 1 1 50 50 ALA N N 15 12.00 0.29 . . . . 50 ALA N 11080 1 37 . 1 1 51 51 LYS N N 15 10.96 0.59 . . . . 51 LYS N 11080 1 38 . 1 1 52 52 ARG N N 15 9.24 0.37 . . . . 52 ARG N 11080 1 39 . 1 1 53 53 ASP N N 15 11.22 0.88 . . . . 53 ASP N 11080 1 40 . 1 1 54 54 GLY N N 15 10.67 0.24 . . . . 54 GLY N 11080 1 41 . 1 1 55 55 SER N N 15 9.55 0.18 . . . . 55 SER N 11080 1 42 . 1 1 56 56 LEU N N 15 9.71 0.52 . . . . 56 LEU N 11080 1 43 . 1 1 57 57 GLY N N 15 9.79 0.15 . . . . 57 GLY N 11080 1 44 . 1 1 58 58 TYR N N 15 9.28 0.19 . . . . 58 TYR N 11080 1 45 . 1 1 59 59 PHE N N 15 9.05 0.20 . . . . 59 PHE N 11080 1 46 . 1 1 60 60 GLY N N 15 8.54 0.29 . . . . 60 GLY N 11080 1 47 . 1 1 61 61 ARG N N 15 9.79 0.20 . . . . 61 ARG N 11080 1 48 . 1 1 62 62 GLY N N 15 9.28 0.49 . . . . 62 GLY N 11080 1 49 . 1 1 63 63 LYS N N 15 8.69 0.21 . . . . 63 LYS N 11080 1 50 . 1 1 66 66 LYS N N 15 9.64 0.41 . . . . 66 LYS N 11080 1 51 . 1 1 68 68 PHE N N 15 9.80 0.44 . . . . 68 PHE N 11080 1 52 . 1 1 69 69 GLU N N 15 9.40 0.26 . . . . 69 GLU N 11080 1 53 . 1 1 70 70 ASP N N 15 9.58 0.12 . . . . 70 ASP N 11080 1 54 . 1 1 71 71 ALA N N 15 9.49 0.15 . . . . 71 ALA N 11080 1 55 . 1 1 72 72 ALA N N 15 9.22 0.09 . . . . 72 ALA N 11080 1 56 . 1 1 74 74 ARG N N 15 9.50 0.26 . . . . 74 ARG N 11080 1 57 . 1 1 75 75 LEU N N 15 8.96 0.09 . . . . 75 LEU N 11080 1 58 . 1 1 76 76 GLN N N 15 9.68 0.43 . . . . 76 GLN N 11080 1 59 . 1 1 81 81 SER N N 15 8.82 0.16 . . . . 81 SER N 11080 1 60 . 1 1 82 82 GLU N N 15 9.78 0.16 . . . . 82 GLU N 11080 1 61 . 1 1 84 84 VAL N N 15 8.58 0.14 . . . . 84 VAL N 11080 1 62 . 1 1 85 85 LYS N N 15 9.07 0.22 . . . . 85 LYS N 11080 1 63 . 1 1 86 86 SER N N 15 9.73 0.31 . . . . 86 SER N 11080 1 64 . 1 1 87 87 GLU N N 15 10.84 1.03 . . . . 87 GLU N 11080 1 65 . 1 1 88 88 PHE N N 15 10.31 0.34 . . . . 88 PHE N 11080 1 66 . 1 1 89 89 GLY N N 15 9.67 0.08 . . . . 89 GLY N 11080 1 67 . 1 1 90 90 TYR N N 15 10.16 0.20 . . . . 90 TYR N 11080 1 68 . 1 1 91 91 HIS N N 15 8.85 0.43 . . . . 91 HIS N 11080 1 69 . 1 1 92 92 VAL N N 15 9.04 0.26 . . . . 92 VAL N 11080 1 70 . 1 1 93 93 ILE N N 15 9.39 0.17 . . . . 93 ILE N 11080 1 71 . 1 1 94 94 LYS N N 15 9.11 0.16 . . . . 94 LYS N 11080 1 72 . 1 1 95 95 ARG N N 15 9.02 0.20 . . . . 95 ARG N 11080 1 73 . 1 1 96 96 LEU N N 15 9.45 0.62 . . . . 96 LEU N 11080 1 74 . 1 1 97 97 GLY N N 15 8.93 0.11 . . . . 97 GLY N 11080 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 11080 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '2D 1H-15N HSQC No.3' 1 $sample_1 isotropic 11080 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $SPARKY . . 11080 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 9 9 LYS N N 15 8.38 0.08 . . . . 9 LYS N 11080 2 2 . 1 1 10 10 ILE N N 15 10.75 0.10 . . . . 10 ILE N 11080 2 3 . 1 1 11 11 LYS N N 15 11.16 0.18 . . . . 11 LYS N 11080 2 4 . 1 1 12 12 CYS N N 15 11.04 0.17 . . . . 12 CYS N 11080 2 5 . 1 1 13 13 SER N N 15 10.13 0.10 . . . . 13 SER N 11080 2 6 . 1 1 14 14 HIS N N 15 11.35 0.13 . . . . 14 HIS N 11080 2 7 . 1 1 15 15 ILE N N 15 11.00 0.13 . . . . 15 ILE N 11080 2 8 . 1 1 16 16 LEU N N 15 10.69 0.24 . . . . 16 LEU N 11080 2 9 . 1 1 17 17 VAL N N 15 11.50 0.09 . . . . 17 VAL N 11080 2 10 . 1 1 18 18 LYS N N 15 11.06 0.12 . . . . 18 LYS N 11080 2 11 . 1 1 19 19 LYS N N 15 10.04 0.07 . . . . 19 LYS N 11080 2 12 . 1 1 20 20 GLN N N 15 10.76 0.13 . . . . 20 GLN N 11080 2 13 . 1 1 22 22 GLU N N 15 10.86 0.11 . . . . 22 GLU N 11080 2 14 . 1 1 23 23 ALA N N 15 10.66 0.09 . . . . 23 ALA N 11080 2 15 . 1 1 24 24 LEU N N 15 10.86 0.07 . . . . 24 LEU N 11080 2 16 . 1 1 25 25 ALA N N 15 11.05 0.12 . . . . 25 ALA N 11080 2 17 . 1 1 26 26 VAL N N 15 10.55 0.08 . . . . 26 VAL N 11080 2 18 . 1 1 27 27 GLN N N 15 10.94 0.14 . . . . 27 GLN N 11080 2 19 . 1 1 28 28 GLU N N 15 11.05 0.13 . . . . 28 GLU N 11080 2 20 . 1 1 29 29 ARG N N 15 10.66 0.15 . . . . 29 ARG N 11080 2 21 . 1 1 30 30 LEU N N 15 11.11 0.07 . . . . 30 LEU N 11080 2 22 . 1 1 31 31 LYS N N 15 9.89 0.10 . . . . 31 LYS N 11080 2 23 . 1 1 32 32 ALA N N 15 10.55 0.09 . . . . 32 ALA N 11080 2 24 . 1 1 33 33 GLY N N 15 10.21 0.07 . . . . 33 GLY N 11080 2 25 . 1 1 34 34 GLU N N 15 11.03 0.11 . . . . 34 GLU N 11080 2 26 . 1 1 35 35 LYS N N 15 10.79 0.14 . . . . 35 LYS N 11080 2 27 . 1 1 36 36 PHE N N 15 12.20 0.37 . . . . 36 PHE N 11080 2 28 . 1 1 37 37 GLY N N 15 11.10 0.15 . . . . 37 GLY N 11080 2 29 . 1 1 38 38 LYS N N 15 10.63 0.11 . . . . 38 LYS N 11080 2 30 . 1 1 39 39 LEU N N 15 11.45 0.07 . . . . 39 LEU N 11080 2 31 . 1 1 40 40 ALA N N 15 10.53 0.12 . . . . 40 ALA N 11080 2 32 . 1 1 41 41 LYS N N 15 11.12 0.08 . . . . 41 LYS N 11080 2 33 . 1 1 42 42 GLU N N 15 11.12 0.11 . . . . 42 GLU N 11080 2 34 . 1 1 43 43 LEU N N 15 11.17 0.20 . . . . 43 LEU N 11080 2 35 . 1 1 44 44 SER N N 15 10.77 0.16 . . . . 44 SER N 11080 2 36 . 1 1 45 45 ILE N N 15 11.54 0.17 . . . . 45 ILE N 11080 2 37 . 1 1 46 46 ASP N N 15 11.63 0.14 . . . . 46 ASP N 11080 2 38 . 1 1 47 47 GLY N N 15 12.57 0.93 . . . . 47 GLY N 11080 2 39 . 1 1 48 48 GLY N N 15 10.72 0.23 . . . . 48 GLY N 11080 2 40 . 1 1 49 49 SER N N 15 14.72 0.46 . . . . 49 SER N 11080 2 41 . 1 1 50 50 ALA N N 15 16.54 0.21 . . . . 50 ALA N 11080 2 42 . 1 1 51 51 LYS N N 15 16.11 0.09 . . . . 51 LYS N 11080 2 43 . 1 1 52 52 ARG N N 15 10.97 0.12 . . . . 52 ARG N 11080 2 44 . 1 1 53 53 ASP N N 15 13.69 0.19 . . . . 53 ASP N 11080 2 45 . 1 1 54 54 GLY N N 15 12.65 0.13 . . . . 54 GLY N 11080 2 46 . 1 1 55 55 SER N N 15 12.09 0.23 . . . . 55 SER N 11080 2 47 . 1 1 56 56 LEU N N 15 11.18 0.18 . . . . 56 LEU N 11080 2 48 . 1 1 57 57 GLY N N 15 11.43 0.12 . . . . 57 GLY N 11080 2 49 . 1 1 58 58 TYR N N 15 10.61 0.15 . . . . 58 TYR N 11080 2 50 . 1 1 59 59 PHE N N 15 10.76 0.25 . . . . 59 PHE N 11080 2 51 . 1 1 60 60 GLY N N 15 10.33 0.14 . . . . 60 GLY N 11080 2 52 . 1 1 61 61 ARG N N 15 11.07 0.09 . . . . 61 ARG N 11080 2 53 . 1 1 62 62 GLY N N 15 10.55 0.27 . . . . 62 GLY N 11080 2 54 . 1 1 63 63 LYS N N 15 10.24 0.12 . . . . 63 LYS N 11080 2 55 . 1 1 64 64 MET N N 15 10.90 0.10 . . . . 64 MET N 11080 2 56 . 1 1 65 65 VAL N N 15 14.58 0.17 . . . . 65 VAL N 11080 2 57 . 1 1 66 66 LYS N N 15 11.26 0.13 . . . . 66 LYS N 11080 2 58 . 1 1 68 68 PHE N N 15 10.89 0.18 . . . . 68 PHE N 11080 2 59 . 1 1 69 69 GLU N N 15 11.25 0.13 . . . . 69 GLU N 11080 2 60 . 1 1 70 70 ASP N N 15 10.99 0.05 . . . . 70 ASP N 11080 2 61 . 1 1 71 71 ALA N N 15 11.06 0.07 . . . . 71 ALA N 11080 2 62 . 1 1 72 72 ALA N N 15 11.01 0.09 . . . . 72 ALA N 11080 2 63 . 1 1 73 73 PHE N N 15 10.86 0.17 . . . . 73 PHE N 11080 2 64 . 1 1 74 74 ARG N N 15 11.03 0.21 . . . . 74 ARG N 11080 2 65 . 1 1 75 75 LEU N N 15 10.45 0.11 . . . . 75 LEU N 11080 2 66 . 1 1 76 76 GLN N N 15 11.14 0.14 . . . . 76 GLN N 11080 2 67 . 1 1 77 77 VAL N N 15 11.01 0.08 . . . . 77 VAL N 11080 2 68 . 1 1 78 78 GLY N N 15 10.83 0.10 . . . . 78 GLY N 11080 2 69 . 1 1 79 79 GLU N N 15 10.98 0.12 . . . . 79 GLU N 11080 2 70 . 1 1 80 80 VAL N N 15 9.51 0.09 . . . . 80 VAL N 11080 2 71 . 1 1 81 81 SER N N 15 10.59 0.08 . . . . 81 SER N 11080 2 72 . 1 1 82 82 GLU N N 15 10.86 0.13 . . . . 82 GLU N 11080 2 73 . 1 1 84 84 VAL N N 15 10.36 0.12 . . . . 84 VAL N 11080 2 74 . 1 1 85 85 LYS N N 15 10.11 0.11 . . . . 85 LYS N 11080 2 75 . 1 1 86 86 SER N N 15 12.10 0.12 . . . . 86 SER N 11080 2 76 . 1 1 87 87 GLU N N 15 13.15 0.26 . . . . 87 GLU N 11080 2 77 . 1 1 88 88 PHE N N 15 12.28 0.16 . . . . 88 PHE N 11080 2 78 . 1 1 89 89 GLY N N 15 11.55 0.11 . . . . 89 GLY N 11080 2 79 . 1 1 90 90 TYR N N 15 11.05 0.09 . . . . 90 TYR N 11080 2 80 . 1 1 91 91 HIS N N 15 10.61 0.07 . . . . 91 HIS N 11080 2 81 . 1 1 92 92 VAL N N 15 9.95 0.14 . . . . 92 VAL N 11080 2 82 . 1 1 93 93 ILE N N 15 10.56 0.21 . . . . 93 ILE N 11080 2 83 . 1 1 94 94 LYS N N 15 10.68 0.18 . . . . 94 LYS N 11080 2 84 . 1 1 95 95 ARG N N 15 11.11 0.05 . . . . 95 ARG N 11080 2 85 . 1 1 96 96 LEU N N 15 11.37 0.21 . . . . 96 LEU N 11080 2 86 . 1 1 97 97 GLY N N 15 10.49 0.16 . . . . 97 GLY N 11080 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 11080 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 9 9 LYS N N 15 0.79 0.01 148.2 16.8 . . . . 0.01 0.05 . . . . . . . . . . . . 9 LYS N 11080 1 2 . 1 1 10 10 ILE N N 15 0.89 0.02 18.7 28.6 . . . . 0.99 0.12 . . . . . . . . . . . . 10 ILE N 11080 1 3 . 1 1 11 11 LYS N N 15 0.87 0.02 28.3 32.7 . . . . 1.27 0.16 . . . . . . . . . . . . 11 LYS N 11080 1 4 . 1 1 12 12 CYS N N 15 0.93 0.02 41.4 65.6 . . . . 0.75 0.21 . . . . . . . . . . . . 12 CYS N 11080 1 5 . 1 1 13 13 SER N N 15 0.89 0.02 130.1 48.7 . . . . 0.54 0.13 . . . . . . . . . . . . 13 SER N 11080 1 6 . 1 1 14 14 HIS N N 15 0.89 0.02 84.3 48.9 . . . . 1.35 0.12 . . . . . . . . . . . . 14 HIS N 11080 1 7 . 1 1 16 16 LEU N N 15 0.90 0.02 72.0 100.3 . . . . 1.02 0.16 . . . . . . . . . . . . 16 LEU N 11080 1 8 . 1 1 18 18 LYS N N 15 0.85 0.02 1.1 5.5 . . . . 1.49 0.16 . . . . . . . . . . . . 18 LYS N 11080 1 9 . 1 1 19 19 LYS N N 15 0.83 0.01 47.1 18.8 . . . . 0.81 0.08 . . . . . . . . . . . . 19 LYS N 11080 1 10 . 1 1 20 20 GLN N N 15 0.92 0.06 1732.4 1012.2 . . . . 0.55 0.22 . . . . . . . . . . . . 20 GLN N 11080 1 11 . 1 1 22 22 GLU N N 15 0.89 0.02 205.8 197.0 . . . . 0.97 0.12 . . . . . . . . . . . . 22 GLU N 11080 1 12 . 1 1 23 23 ALA N N 15 0.92 0.02 8.3 16.4 . . . . 0.69 0.15 . . . . . . . . . . . . 23 ALA N 11080 1 13 . 1 1 24 24 LEU N N 15 0.85 0.02 1074.8 153.4 . . . . 0.35 0.12 . . . . . . . . . . . . 24 LEU N 11080 1 14 . 1 1 25 25 ALA N N 15 0.92 0.02 2.5 9.4 . . . . 1.00 0.16 . . . . . . . . . . . . 25 ALA N 11080 1 15 . 1 1 26 26 VAL N N 15 0.88 0.02 14.2 18.7 . . . . 0.93 0.12 . . . . . . . . . . . . 26 VAL N 11080 1 16 . 1 1 27 27 GLN N N 15 0.92 0.02 67.7 43.2 . . . . 0.73 0.14 . . . . . . . . . . . . 27 GLN N 11080 1 17 . 1 1 28 28 GLU N N 15 0.97 0.02 272.5 418.8 . . . . 0.21 0.16 . . . . . . . . . . . . 28 GLU N 11080 1 18 . 1 1 29 29 ARG N N 15 0.87 0.02 85.3 85.5 . . . . 0.89 0.13 . . . . . . . . . . . . 29 ARG N 11080 1 19 . 1 1 30 30 LEU N N 15 0.88 0.01 9.0 16.4 . . . . 1.26 0.10 . . . . . . . . . . . . 30 LEU N 11080 1 20 . 1 1 31 31 LYS N N 15 0.85 0.01 181.9 93.3 . . . . 0.69 0.09 . . . . . . . . . . . . 31 LYS N 11080 1 21 . 1 1 32 32 ALA N N 15 0.83 0.01 12.3 14.1 . . . . 1.24 0.10 . . . . . . . . . . . . 32 ALA N 11080 1 22 . 1 1 33 33 GLY N N 15 0.84 0.03 941.5 288.3 . . . . 0.00 0.01 . . . . . . . . . . . . 33 GLY N 11080 1 23 . 1 1 34 34 GLU N N 15 0.90 0.02 51.6 32.6 . . . . 1.05 0.10 . . . . . . . . . . . . 34 GLU N 11080 1 24 . 1 1 35 35 LYS N N 15 0.86 0.02 121.0 34.7 . . . . 0.54 0.15 . . . . . . . . . . . . 35 LYS N 11080 1 25 . 1 1 36 36 PHE N N 15 0.86 0.12 1127.7 1047.9 . . . . 1.03 0.53 . . . . . . . . . . . . 36 PHE N 11080 1 26 . 1 1 37 37 GLY N N 15 0.79 0.06 1739.0 438.0 . . . . 1.19 0.21 . . . . . . . . . . . . 37 GLY N 11080 1 27 . 1 1 38 38 LYS N N 15 0.86 0.02 119.7 38.1 . . . . 0.98 0.15 . . . . . . . . . . . . 38 LYS N 11080 1 28 . 1 1 39 39 LEU N N 15 0.92 0.02 17.5 30.8 . . . . 0.94 0.16 . . . . . . . . . . . . 39 LEU N 11080 1 29 . 1 1 40 40 ALA N N 15 0.83 0.02 1265.9 85.6 . . . . 0.62 0.10 . . . . . . . . . . . . 40 ALA N 11080 1 30 . 1 1 41 41 LYS N N 15 0.92 0.02 3.8 11.2 . . . . 0.96 0.15 . . . . . . . . . . . . 41 LYS N 11080 1 31 . 1 1 42 42 GLU N N 15 0.91 0.02 1149.0 247.4 . . . . 0.11 0.11 . . . . . . . . . . . . 42 GLU N 11080 1 32 . 1 1 43 43 LEU N N 15 0.92 0.03 1862.0 711.3 . . . . 0.03 0.08 . . . . . . . . . . . . 43 LEU N 11080 1 33 . 1 1 45 45 ILE N N 15 0.94 0.03 77.0 184.2 . . . . 1.10 0.18 . . . . . . . . . . . . 45 ILE N 11080 1 34 . 1 1 46 46 ASP N N 15 0.95 0.02 126.1 231.3 . . . . 1.11 0.15 . . . . . . . . . . . . 46 ASP N 11080 1 35 . 1 1 49 49 SER N N 15 0.82 0.02 82.1 35.3 . . . . 3.43 0.23 . . . . . . . . . . . . 49 SER N 11080 1 36 . 1 1 50 50 ALA N N 15 1.00 0.00 0.0 0.0 . . . . 3.30 0.11 . . . . . . . . . . . . 50 ALA N 11080 1 37 . 1 1 51 51 LYS N N 15 0.88 0.07 2260.0 1223.4 . . . . 3.43 0.21 . . . . . . . . . . . . 51 LYS N 11080 1 38 . 1 1 52 52 ARG N N 15 0.89 0.07 1473.2 646.1 . . . . 0.97 0.24 . . . . . . . . . . . . 52 ARG N 11080 1 39 . 1 1 53 53 ASP N N 15 0.76 0.15 3818.4 2147.5 . . . . 1.90 0.46 . . . . . . . . . . . . 53 ASP N 11080 1 40 . 1 1 54 54 GLY N N 15 0.94 0.01 27.9 45.8 . . . . 1.80 0.09 . . . . . . . . . . . . 54 GLY N 11080 1 41 . 1 1 55 55 SER N N 15 0.90 0.03 534.1 382.4 . . . . 1.49 0.17 . . . . . . . . . . . . 55 SER N 11080 1 42 . 1 1 56 56 LEU N N 15 0.80 0.05 2233.5 551.2 . . . . 0.56 0.24 . . . . . . . . . . . . 56 LEU N 11080 1 43 . 1 1 57 57 GLY N N 15 0.81 0.05 1792.1 399.5 . . . . 0.47 0.23 . . . . . . . . . . . . 57 GLY N 11080 1 44 . 1 1 58 58 TYR N N 15 0.92 0.02 167.3 136.7 . . . . 0.74 0.13 . . . . . . . . . . . . 58 TYR N 11080 1 45 . 1 1 59 59 PHE N N 15 0.92 0.02 91.0 87.6 . . . . 0.65 0.23 . . . . . . . . . . . . 59 PHE N 11080 1 46 . 1 1 60 60 GLY N N 15 0.83 0.02 69.4 27.3 . . . . 1.03 0.12 . . . . . . . . . . . . 60 GLY N 11080 1 47 . 1 1 61 61 ARG N N 15 0.83 0.03 2054.0 371.8 . . . . 0.02 0.08 . . . . . . . . . . . . 61 ARG N 11080 1 48 . 1 1 62 62 GLY N N 15 0.76 0.05 1454.4 242.9 . . . . 0.09 0.16 . . . . . . . . . . . . 62 GLY N 11080 1 49 . 1 1 63 63 LYS N N 15 0.93 0.03 140.6 220.0 . . . . 0.29 0.17 . . . . . . . . . . . . 63 LYS N 11080 1 50 . 1 1 66 66 LYS N N 15 0.98 0.04 753.1 1357.7 . . . . 0.73 0.14 . . . . . . . . . . . . 66 LYS N 11080 1 51 . 1 1 68 68 PHE N N 15 0.92 0.02 2.3 9.1 . . . . 0.97 0.14 . . . . . . . . . . . . 68 PHE N 11080 1 52 . 1 1 69 69 GLU N N 15 0.93 0.02 29.2 45.3 . . . . 1.08 0.14 . . . . . . . . . . . . 69 GLU N 11080 1 53 . 1 1 70 70 ASP N N 15 0.94 0.02 665.9 402.9 . . . . 0.43 0.12 . . . . . . . . . . . . 70 ASP N 11080 1 54 . 1 1 71 71 ALA N N 15 0.93 0.02 50.4 95.7 . . . . 0.71 0.15 . . . . . . . . . . . . 71 ALA N 11080 1 55 . 1 1 72 72 ALA N N 15 0.91 0.01 17.6 24.2 . . . . 1.00 0.12 . . . . . . . . . . . . 72 ALA N 11080 1 56 . 1 1 74 74 ARG N N 15 0.92 0.02 159.7 137.1 . . . . 0.46 0.19 . . . . . . . . . . . . 74 ARG N 11080 1 57 . 1 1 75 75 LEU N N 15 0.85 0.01 50.3 24.8 . . . . 1.13 0.11 . . . . . . . . . . . . 75 LEU N 11080 1 58 . 1 1 76 76 GLN N N 15 0.80 0.02 10.5 15.0 . . . . 1.65 0.12 . . . . . . . . . . . . 76 GLN N 11080 1 59 . 1 1 81 81 SER N N 15 0.90 0.02 3.3 8.0 . . . . 0.85 0.12 . . . . . . . . . . . . 81 SER N 11080 1 60 . 1 1 82 82 GLU N N 15 0.88 0.02 56.7 28.6 . . . . 0.32 0.19 . . . . . . . . . . . . 82 GLU N 11080 1 61 . 1 1 84 84 VAL N N 15 0.85 0.02 11.9 17.4 . . . . 1.00 0.10 . . . . . . . . . . . . 84 VAL N 11080 1 62 . 1 1 85 85 LYS N N 15 0.86 0.01 41.5 28.4 . . . . 0.81 0.10 . . . . . . . . . . . . 85 LYS N 11080 1 63 . 1 1 86 86 SER N N 15 0.85 0.02 31.4 29.5 . . . . 1.88 0.13 . . . . . . . . . . . . 86 SER N 11080 1 64 . 1 1 87 87 GLU N N 15 0.72 0.10 3360.1 1150.8 . . . . 1.17 0.44 . . . . . . . . . . . . 87 GLU N 11080 1 65 . 1 1 88 88 PHE N N 15 0.88 0.03 1077.3 250.4 . . . . 1.11 0.15 . . . . . . . . . . . . 88 PHE N 11080 1 66 . 1 1 89 89 GLY N N 15 0.93 0.01 15.0 62.7 . . . . 0.67 0.16 . . . . . . . . . . . . 89 GLY N 11080 1 67 . 1 1 90 90 TYR N N 15 0.93 0.02 675.4 347.8 . . . . 0.01 0.05 . . . . . . . . . . . . 90 TYR N 11080 1 68 . 1 1 91 91 HIS N N 15 0.85 0.02 26.5 25.9 . . . . 1.09 0.12 . . . . . . . . . . . . 91 HIS N 11080 1 69 . 1 1 92 92 VAL N N 15 0.88 0.01 8.8 14.5 . . . . 0.53 0.14 . . . . . . . . . . . . 92 VAL N 11080 1 70 . 1 1 93 93 ILE N N 15 0.95 0.02 25.1 70.5 . . . . 0.34 0.24 . . . . . . . . . . . . 93 ILE N 11080 1 71 . 1 1 94 94 LYS N N 15 0.92 0.02 110.1 76.1 . . . . 0.78 0.14 . . . . . . . . . . . . 94 LYS N 11080 1 72 . 1 1 95 95 ARG N N 15 0.89 0.02 39.8 37.2 . . . . 1.10 0.10 . . . . . . . . . . . . 95 ARG N 11080 1 73 . 1 1 96 96 LEU N N 15 0.94 0.05 1906.4 1380.7 . . . . 0.45 0.18 . . . . . . . . . . . . 96 LEU N 11080 1 74 . 1 1 97 97 GLY N N 15 0.88 0.02 49.3 31.2 . . . . 0.84 0.18 . . . . . . . . . . . . 97 GLY N 11080 1 stop_ save_