data_15577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15577 _Entry.Title ; C Repressor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-03 _Entry.Accession_date 2007-12-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tariq Massad . . . 15577 2 Evangelos Papadopoulos . . . 15577 3 Peter Damberg . . . 15577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 15577 '15N chemical shifts' 106 15577 '1H chemical shifts' 670 15577 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 3 . . 2009-08-13 2007-12-03 update BMRB 'added PubMed ID' 15577 2 . . 2008-12-03 2007-12-03 update BMRB 'complete entry citation' 15577 1 . . 2008-10-14 2007-12-03 original author 'original release' 15577 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636908 _Citation.Full_citation . _Citation.Title 'Assignment of 1H, 13C, and 15N chemical shift resonances of P2 C-repressor protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Asssignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 215 _Citation.Page_last 217 _Citation.Year 2008 _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 Tariq Massad . . . 15577 1 2 Evangelos Papadopoulos . . . 15577 1 3 Petri Henriksson-Peltola . . . 15577 1 4 Elisabeth Haggard-Ljungquist . . . 15577 1 5 Peter Damberg . . . 15577 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15577 _Assembly.ID 1 _Assembly.Name Crepressor _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Crepressor 1 $Crepressor A . yes native no no . . . 15577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Crepressor _Entity.Sf_category entity _Entity.Sf_framecode Crepressor _Entity.Entry_ID 15577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Crepressor _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSNTISEKIVLMRKSEYLSR QQLADLTGVPYGTLSYYESG RSTPPTDVMMNILQTPQFTK YTLWFMTNQIAPESGQIAPA LAHFGQNETTSPHSGQKTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 PDB 2L49 . "The Solution Structure Of The P2 C,The Immunity Repressor Of The P2 Bacteriophage" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 2 no PDB 2XCJ . "Crystal Structure Of P2 C, The Immunity Repressor Of Temperate E. Coli Phage P2" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 3 no EMBL CAJ43636 . "C protein [Enterobacteria phage PK]" . . . . . 100.00 99 98.99 100.00 1.37e-65 . . . . 15577 1 4 no EMBL CAJ43638 . "C protein [Enterobacteria phage PhiD266]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 5 no EMBL CAJ43640 . "C protein [Enterobacteria phage HK240]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 6 no EMBL CAJ43642 . "C protein [Enterobacteria phage HK241]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 7 no EMBL CAJ43644 . "C protein [Enterobacteria phage 299]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 8 no GB AAD03298 . "gpC [Enterobacteria phage P2]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 9 no GB AAO64734 . "C [Enterobacteria phage P2]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 10 no GB ABJ01492 . "immunity repressor [Escherichia coli APEC O1]" . . . . . 100.00 99 98.99 100.00 1.37e-65 . . . . 15577 1 11 no GB AHM44333 . "repressor [Escherichia coli]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 12 no GB AHM48945 . "repressor [Escherichia coli]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 13 no REF NP_046787 . "gpC [Enterobacteria phage P2]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 14 no REF WP_001306384 . "MULTISPECIES: repressor [Enterobacteriaceae]" . . . . . 100.00 99 100.00 100.00 8.30e-66 . . . . 15577 1 15 no REF WP_001350698 . "repressor [Escherichia coli]" . . . . . 100.00 99 98.99 100.00 1.37e-65 . . . . 15577 1 16 no SP P04132 . "RecName: Full=Repressor protein C [Enterobacteria phage P2]" . . . . . 100.00 99 98.99 98.99 9.05e-65 . . . . 15577 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 . MET . 15577 1 2 . SER . 15577 1 3 . ASN . 15577 1 4 . THR . 15577 1 5 . ILE . 15577 1 6 . SER . 15577 1 7 . GLU . 15577 1 8 . LYS . 15577 1 9 . ILE . 15577 1 10 . VAL . 15577 1 11 . LEU . 15577 1 12 . MET . 15577 1 13 . ARG . 15577 1 14 . LYS . 15577 1 15 . SER . 15577 1 16 . GLU . 15577 1 17 . TYR . 15577 1 18 . LEU . 15577 1 19 . SER . 15577 1 20 . ARG . 15577 1 21 . GLN . 15577 1 22 . GLN . 15577 1 23 . LEU . 15577 1 24 . ALA . 15577 1 25 . ASP . 15577 1 26 . LEU . 15577 1 27 . THR . 15577 1 28 . GLY . 15577 1 29 . VAL . 15577 1 30 . PRO . 15577 1 31 . TYR . 15577 1 32 . GLY . 15577 1 33 . THR . 15577 1 34 . LEU . 15577 1 35 . SER . 15577 1 36 . TYR . 15577 1 37 . TYR . 15577 1 38 . GLU . 15577 1 39 . SER . 15577 1 40 . GLY . 15577 1 41 . ARG . 15577 1 42 . SER . 15577 1 43 . THR . 15577 1 44 . PRO . 15577 1 45 . PRO . 15577 1 46 . THR . 15577 1 47 . ASP . 15577 1 48 . VAL . 15577 1 49 . MET . 15577 1 50 . MET . 15577 1 51 . ASN . 15577 1 52 . ILE . 15577 1 53 . LEU . 15577 1 54 . GLN . 15577 1 55 . THR . 15577 1 56 . PRO . 15577 1 57 . GLN . 15577 1 58 . PHE . 15577 1 59 . THR . 15577 1 60 . LYS . 15577 1 61 . TYR . 15577 1 62 . THR . 15577 1 63 . LEU . 15577 1 64 . TRP . 15577 1 65 . PHE . 15577 1 66 . MET . 15577 1 67 . THR . 15577 1 68 . ASN . 15577 1 69 . GLN . 15577 1 70 . ILE . 15577 1 71 . ALA . 15577 1 72 . PRO . 15577 1 73 . GLU . 15577 1 74 . SER . 15577 1 75 . GLY . 15577 1 76 . GLN . 15577 1 77 . ILE . 15577 1 78 . ALA . 15577 1 79 . PRO . 15577 1 80 . ALA . 15577 1 81 . LEU . 15577 1 82 . ALA . 15577 1 83 . HIS . 15577 1 84 . PHE . 15577 1 85 . GLY . 15577 1 86 . GLN . 15577 1 87 . ASN . 15577 1 88 . GLU . 15577 1 89 . THR . 15577 1 90 . THR . 15577 1 91 . SER . 15577 1 92 . PRO . 15577 1 93 . HIS . 15577 1 94 . SER . 15577 1 95 . GLY . 15577 1 96 . GLN . 15577 1 97 . LYS . 15577 1 98 . THR . 15577 1 99 . GLY . 15577 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15577 1 . SER 2 2 15577 1 . ASN 3 3 15577 1 . THR 4 4 15577 1 . ILE 5 5 15577 1 . SER 6 6 15577 1 . GLU 7 7 15577 1 . LYS 8 8 15577 1 . ILE 9 9 15577 1 . VAL 10 10 15577 1 . LEU 11 11 15577 1 . MET 12 12 15577 1 . ARG 13 13 15577 1 . LYS 14 14 15577 1 . SER 15 15 15577 1 . GLU 16 16 15577 1 . TYR 17 17 15577 1 . LEU 18 18 15577 1 . SER 19 19 15577 1 . ARG 20 20 15577 1 . GLN 21 21 15577 1 . GLN 22 22 15577 1 . LEU 23 23 15577 1 . ALA 24 24 15577 1 . ASP 25 25 15577 1 . LEU 26 26 15577 1 . THR 27 27 15577 1 . GLY 28 28 15577 1 . VAL 29 29 15577 1 . PRO 30 30 15577 1 . TYR 31 31 15577 1 . GLY 32 32 15577 1 . THR 33 33 15577 1 . LEU 34 34 15577 1 . SER 35 35 15577 1 . TYR 36 36 15577 1 . TYR 37 37 15577 1 . GLU 38 38 15577 1 . SER 39 39 15577 1 . GLY 40 40 15577 1 . ARG 41 41 15577 1 . SER 42 42 15577 1 . THR 43 43 15577 1 . PRO 44 44 15577 1 . PRO 45 45 15577 1 . THR 46 46 15577 1 . ASP 47 47 15577 1 . VAL 48 48 15577 1 . MET 49 49 15577 1 . MET 50 50 15577 1 . ASN 51 51 15577 1 . ILE 52 52 15577 1 . LEU 53 53 15577 1 . GLN 54 54 15577 1 . THR 55 55 15577 1 . PRO 56 56 15577 1 . GLN 57 57 15577 1 . PHE 58 58 15577 1 . THR 59 59 15577 1 . LYS 60 60 15577 1 . TYR 61 61 15577 1 . THR 62 62 15577 1 . LEU 63 63 15577 1 . TRP 64 64 15577 1 . PHE 65 65 15577 1 . MET 66 66 15577 1 . THR 67 67 15577 1 . ASN 68 68 15577 1 . GLN 69 69 15577 1 . ILE 70 70 15577 1 . ALA 71 71 15577 1 . PRO 72 72 15577 1 . GLU 73 73 15577 1 . SER 74 74 15577 1 . GLY 75 75 15577 1 . GLN 76 76 15577 1 . ILE 77 77 15577 1 . ALA 78 78 15577 1 . PRO 79 79 15577 1 . ALA 80 80 15577 1 . LEU 81 81 15577 1 . ALA 82 82 15577 1 . HIS 83 83 15577 1 . PHE 84 84 15577 1 . GLY 85 85 15577 1 . GLN 86 86 15577 1 . ASN 87 87 15577 1 . GLU 88 88 15577 1 . THR 89 89 15577 1 . THR 90 90 15577 1 . SER 91 91 15577 1 . PRO 92 92 15577 1 . HIS 93 93 15577 1 . SER 94 94 15577 1 . GLY 95 95 15577 1 . GLN 96 96 15577 1 . LYS 97 97 15577 1 . THR 98 98 15577 1 . GLY 99 99 15577 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 15577 _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 $Crepressor . 10679 virus . Phage 'Enterobacteria phage P2' . . Viruses . 'P2-like viruses' 'Enterobacteria phage P2' . . . . . . . . . . . . . . . . . . . . . 15577 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 15577 _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 $Crepressor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pEE679 . . . . . . 15577 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15577 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Crepressor '[U-100% 13C; U-100% 15N]' . . 1 $Crepressor . . 0.6 . . mM . . . . 15577 1 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 15577 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15577 1 4 H2O . . . . . . . 90 . . % . . . . 15577 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 15577 _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' 0.005 . M 15577 1 pH 6 . pH 15577 1 pressure 0.7 . atm 15577 1 temperature 310 . K 15577 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15577 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15577 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15577 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15577 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15577 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15577 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 15577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15577 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15577 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15577 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15577 _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 INOVA . 900 . . . 15577 1 2 spectrometer_2 Varian INOVA . 800 . . . 15577 1 3 spectrometer_3 Varian INOVA . 600 . . . 15577 1 4 spectrometer_4 Bruker Avance . 500 . . . 15577 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 15577 _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 . . . . . . . . . . . . . . . . . . . . . 15577 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15577 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 15577 _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 water protons . . . . ppm 4.63 internal indirect 0.25144953 . . . . . . . . . 15577 1 H 1 water protons . . . . ppm 4.63 internal direct 1 . . . . . . . . . 15577 1 N 15 water protons . . . . ppm 4.63 internal indirect 0.10132912 . . . . . . . . . 15577 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 15577 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15577 1 2 '2D 1H-13C HSQC' . . . 15577 1 3 '3D CBCA(CO)NH' . . . 15577 1 4 '3D HNCO' . . . 15577 1 5 '3D HNCA' . . . 15577 1 6 '3D HNCACB' . . . 15577 1 7 '3D HCCH-TOCSY' . . . 15577 1 8 '3D HNHA' . . . 15577 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 MET HA H 1 4.568 0 . 1 . . . . 1 MET HA . 15577 1 2 . 1 1 1 1 MET HB2 H 1 2.042 0.011 . 2 . . . . 1 MET HB2 . 15577 1 3 . 1 1 1 1 MET CA C 13 54.182 0.057 . 1 . . . . 1 MET CA . 15577 1 4 . 1 1 1 1 MET CB C 13 33.338 0.038 . 1 . . . . 1 MET CB . 15577 1 5 . 1 1 2 2 SER H H 1 8.465 0.013 . 1 . . . . 2 SER H . 15577 1 6 . 1 1 2 2 SER HA H 1 4.604 0.006 . 1 . . . . 2 SER HA . 15577 1 7 . 1 1 2 2 SER HB2 H 1 3.858 0.006 . 2 . . . . 2 SER HB2 . 15577 1 8 . 1 1 2 2 SER HB3 H 1 3.957 0 . 2 . . . . 2 SER HB3 . 15577 1 9 . 1 1 2 2 SER C C 13 173.804 0 . 1 . . . . 2 SER C . 15577 1 10 . 1 1 2 2 SER CA C 13 58.187 0.142 . 1 . . . . 2 SER CA . 15577 1 11 . 1 1 2 2 SER CB C 13 63.939 0.056 . 1 . . . . 2 SER CB . 15577 1 12 . 1 1 2 2 SER N N 15 116.689 0.063 . 1 . . . . 2 SER N . 15577 1 13 . 1 1 3 3 ASN H H 1 8.734 0.016 . 1 . . . . 3 ASN H . 15577 1 14 . 1 1 3 3 ASN HA H 1 5.033 0.01 . 1 . . . . 3 ASN HA . 15577 1 15 . 1 1 3 3 ASN HB2 H 1 2.457 0.032 . 2 . . . . 3 ASN HB2 . 15577 1 16 . 1 1 3 3 ASN HB3 H 1 2.931 0.006 . 2 . . . . 3 ASN HB3 . 15577 1 17 . 1 1 3 3 ASN HD21 H 1 7.667 0.014 . 2 . . . . 3 ASN HD21 . 15577 1 18 . 1 1 3 3 ASN HD22 H 1 7.025 0.017 . 2 . . . . 3 ASN HD22 . 15577 1 19 . 1 1 3 3 ASN C C 13 175.046 0.078 . 1 . . . . 3 ASN C . 15577 1 20 . 1 1 3 3 ASN CA C 13 53.803 0.104 . 1 . . . . 3 ASN CA . 15577 1 21 . 1 1 3 3 ASN CB C 13 41.3 0.142 . 1 . . . . 3 ASN CB . 15577 1 22 . 1 1 3 3 ASN CG C 13 176.305 0.002 . 1 . . . . 3 ASN CG . 15577 1 23 . 1 1 3 3 ASN N N 15 120.405 0.062 . 1 . . . . 3 ASN N . 15577 1 24 . 1 1 3 3 ASN ND2 N 15 110.379 0.038 . 1 . . . . 3 ASN ND2 . 15577 1 25 . 1 1 4 4 THR H H 1 8.459 0.015 . 1 . . . . 4 THR H . 15577 1 26 . 1 1 4 4 THR HA H 1 4.311 0.032 . 1 . . . . 4 THR HA . 15577 1 27 . 1 1 4 4 THR HB H 1 4.285 0.01 . 1 . . . . 4 THR HB . 15577 1 28 . 1 1 4 4 THR HG21 H 1 1.269 0.026 . 1 . . . . 4 THR HG21 . 15577 1 29 . 1 1 4 4 THR HG22 H 1 1.269 0.026 . 1 . . . . 4 THR HG22 . 15577 1 30 . 1 1 4 4 THR HG23 H 1 1.269 0.026 . 1 . . . . 4 THR HG23 . 15577 1 31 . 1 1 4 4 THR C C 13 174.508 0.11 . 1 . . . . 4 THR C . 15577 1 32 . 1 1 4 4 THR CA C 13 61.616 0.069 . 1 . . . . 4 THR CA . 15577 1 33 . 1 1 4 4 THR CB C 13 70.447 0.176 . 1 . . . . 4 THR CB . 15577 1 34 . 1 1 4 4 THR CG2 C 13 21.629 0.098 . 1 . . . . 4 THR CG2 . 15577 1 35 . 1 1 4 4 THR N N 15 113.57 0.085 . 1 . . . . 4 THR N . 15577 1 36 . 1 1 5 5 ILE H H 1 8.638 0.018 . 1 . . . . 5 ILE H . 15577 1 37 . 1 1 5 5 ILE HA H 1 3.322 0.008 . 1 . . . . 5 ILE HA . 15577 1 38 . 1 1 5 5 ILE HB H 1 1.999 0.008 . 1 . . . . 5 ILE HB . 15577 1 39 . 1 1 5 5 ILE HD11 H 1 0.977 0.006 . 1 . . . . 5 ILE HD11 . 15577 1 40 . 1 1 5 5 ILE HD12 H 1 0.977 0.006 . 1 . . . . 5 ILE HD12 . 15577 1 41 . 1 1 5 5 ILE HD13 H 1 0.977 0.006 . 1 . . . . 5 ILE HD13 . 15577 1 42 . 1 1 5 5 ILE HG12 H 1 0.89 0.009 . 2 . . . . 5 ILE HG12 . 15577 1 43 . 1 1 5 5 ILE HG13 H 1 1.791 0.008 . 2 . . . . 5 ILE HG13 . 15577 1 44 . 1 1 5 5 ILE HG21 H 1 1.016 0.009 . 1 . . . . 5 ILE HG21 . 15577 1 45 . 1 1 5 5 ILE HG22 H 1 1.016 0.009 . 1 . . . . 5 ILE HG22 . 15577 1 46 . 1 1 5 5 ILE HG23 H 1 1.016 0.009 . 1 . . . . 5 ILE HG23 . 15577 1 47 . 1 1 5 5 ILE C C 13 177.147 0.014 . 1 . . . . 5 ILE C . 15577 1 48 . 1 1 5 5 ILE CA C 13 66.627 0.068 . 1 . . . . 5 ILE CA . 15577 1 49 . 1 1 5 5 ILE CB C 13 37.769 0.095 . 1 . . . . 5 ILE CB . 15577 1 50 . 1 1 5 5 ILE CD1 C 13 15.187 0.049 . 1 . . . . 5 ILE CD1 . 15577 1 51 . 1 1 5 5 ILE CG1 C 13 30.783 0.077 . 1 . . . . 5 ILE CG1 . 15577 1 52 . 1 1 5 5 ILE CG2 C 13 17.215 0.052 . 1 . . . . 5 ILE CG2 . 15577 1 53 . 1 1 5 5 ILE N N 15 121.312 0.104 . 1 . . . . 5 ILE N . 15577 1 54 . 1 1 6 6 SER H H 1 8.212 0.012 . 1 . . . . 6 SER H . 15577 1 55 . 1 1 6 6 SER HA H 1 4.088 0.011 . 1 . . . . 6 SER HA . 15577 1 56 . 1 1 6 6 SER HB2 H 1 3.971 0.012 . 2 . . . . 6 SER HB2 . 15577 1 57 . 1 1 6 6 SER HB3 H 1 3.941 0.003 . 2 . . . . 6 SER HB3 . 15577 1 58 . 1 1 6 6 SER C C 13 175.873 0 . 1 . . . . 6 SER C . 15577 1 59 . 1 1 6 6 SER CA C 13 61.898 0.172 . 1 . . . . 6 SER CA . 15577 1 60 . 1 1 6 6 SER CB C 13 62.2 0.026 . 1 . . . . 6 SER CB . 15577 1 61 . 1 1 6 6 SER N N 15 113.847 0.062 . 1 . . . . 6 SER N . 15577 1 62 . 1 1 7 7 GLU H H 1 7.334 0.012 . 1 . . . . 7 GLU H . 15577 1 63 . 1 1 7 7 GLU HA H 1 4.009 0.017 . 1 . . . . 7 GLU HA . 15577 1 64 . 1 1 7 7 GLU HB2 H 1 1.977 0.011 . 2 . . . . 7 GLU HB2 . 15577 1 65 . 1 1 7 7 GLU HB3 H 1 2.236 0.036 . 2 . . . . 7 GLU HB3 . 15577 1 66 . 1 1 7 7 GLU HG2 H 1 2.314 0.014 . 2 . . . . 7 GLU HG2 . 15577 1 67 . 1 1 7 7 GLU HG3 H 1 2.411 0.015 . 2 . . . . 7 GLU HG3 . 15577 1 68 . 1 1 7 7 GLU C C 13 179.587 0.044 . 1 . . . . 7 GLU C . 15577 1 69 . 1 1 7 7 GLU CA C 13 58.779 0.07 . 1 . . . . 7 GLU CA . 15577 1 70 . 1 1 7 7 GLU CB C 13 30.295 0.036 . 1 . . . . 7 GLU CB . 15577 1 71 . 1 1 7 7 GLU CG C 13 34.476 0.066 . 1 . . . . 7 GLU CG . 15577 1 72 . 1 1 7 7 GLU N N 15 120.313 0.105 . 1 . . . . 7 GLU N . 15577 1 73 . 1 1 8 8 LYS H H 1 8.516 0.02 . 1 . . . . 8 LYS H . 15577 1 74 . 1 1 8 8 LYS HA H 1 4.098 0.01 . 1 . . . . 8 LYS HA . 15577 1 75 . 1 1 8 8 LYS HB2 H 1 1.901 0.009 . 2 . . . . 8 LYS HB2 . 15577 1 76 . 1 1 8 8 LYS HB3 H 1 1.611 0.016 . 2 . . . . 8 LYS HB3 . 15577 1 77 . 1 1 8 8 LYS HD2 H 1 0.103 0.005 . 2 . . . . 8 LYS HD2 . 15577 1 78 . 1 1 8 8 LYS HD3 H 1 0.676 0.009 . 2 . . . . 8 LYS HD3 . 15577 1 79 . 1 1 8 8 LYS HE2 H 1 1.57 0.005 . 2 . . . . 8 LYS HE2 . 15577 1 80 . 1 1 8 8 LYS HE3 H 1 2.18 0.006 . 2 . . . . 8 LYS HE3 . 15577 1 81 . 1 1 8 8 LYS HG2 H 1 1.61 0.002 . 2 . . . . 8 LYS HG . 15577 1 82 . 1 1 8 8 LYS HG3 H 1 1.61 0.002 . 2 . . . . 8 LYS HG . 15577 1 83 . 1 1 8 8 LYS C C 13 178.937 0.1 . 1 . . . . 8 LYS C . 15577 1 84 . 1 1 8 8 LYS CA C 13 61.407 0.068 . 1 . . . . 8 LYS CA . 15577 1 85 . 1 1 8 8 LYS CB C 13 34.268 0.09 . 1 . . . . 8 LYS CB . 15577 1 86 . 1 1 8 8 LYS CD C 13 29.348 0.082 . 1 . . . . 8 LYS CD . 15577 1 87 . 1 1 8 8 LYS CE C 13 41.474 0.086 . 1 . . . . 8 LYS CE . 15577 1 88 . 1 1 8 8 LYS CG C 13 26.632 0.055 . 1 . . . . 8 LYS CG . 15577 1 89 . 1 1 8 8 LYS N N 15 117.956 0.153 . 1 . . . . 8 LYS N . 15577 1 90 . 1 1 9 9 ILE H H 1 8.372 0.014 . 1 . . . . 9 ILE H . 15577 1 91 . 1 1 9 9 ILE HA H 1 3.658 0.006 . 1 . . . . 9 ILE HA . 15577 1 92 . 1 1 9 9 ILE HB H 1 2.006 0.011 . 1 . . . . 9 ILE HB . 15577 1 93 . 1 1 9 9 ILE HD11 H 1 0.789 0.005 . 1 . . . . 9 ILE HD11 . 15577 1 94 . 1 1 9 9 ILE HD12 H 1 0.789 0.005 . 1 . . . . 9 ILE HD12 . 15577 1 95 . 1 1 9 9 ILE HD13 H 1 0.789 0.005 . 1 . . . . 9 ILE HD13 . 15577 1 96 . 1 1 9 9 ILE HG12 H 1 0.659 0.009 . 2 . . . . 9 ILE HG12 . 15577 1 97 . 1 1 9 9 ILE HG13 H 1 2.395 0.003 . 2 . . . . 9 ILE HG13 . 15577 1 98 . 1 1 9 9 ILE HG21 H 1 0.945 0.005 . 1 . . . . 9 ILE HG21 . 15577 1 99 . 1 1 9 9 ILE HG22 H 1 0.945 0.005 . 1 . . . . 9 ILE HG22 . 15577 1 100 . 1 1 9 9 ILE HG23 H 1 0.945 0.005 . 1 . . . . 9 ILE HG23 . 15577 1 101 . 1 1 9 9 ILE C C 13 176.982 0.067 . 1 . . . . 9 ILE C . 15577 1 102 . 1 1 9 9 ILE CA C 13 67.192 0.072 . 1 . . . . 9 ILE CA . 15577 1 103 . 1 1 9 9 ILE CB C 13 38.212 0.129 . 1 . . . . 9 ILE CB . 15577 1 104 . 1 1 9 9 ILE CD1 C 13 13.859 0.072 . 1 . . . . 9 ILE CD1 . 15577 1 105 . 1 1 9 9 ILE CG1 C 13 30.278 0.051 . 1 . . . . 9 ILE CG1 . 15577 1 106 . 1 1 9 9 ILE CG2 C 13 17.086 0.103 . 1 . . . . 9 ILE CG2 . 15577 1 107 . 1 1 9 9 ILE N N 15 118.937 0.162 . 1 . . . . 9 ILE N . 15577 1 108 . 1 1 10 10 VAL H H 1 7.504 0.011 . 1 . . . . 10 VAL H . 15577 1 109 . 1 1 10 10 VAL HA H 1 3.491 0.005 . 1 . . . . 10 VAL HA . 15577 1 110 . 1 1 10 10 VAL HB H 1 2.176 0.01 . 1 . . . . 10 VAL HB . 15577 1 111 . 1 1 10 10 VAL HG11 H 1 1.173 0.006 . 2 . . . . 10 VAL HG11 . 15577 1 112 . 1 1 10 10 VAL HG12 H 1 1.173 0.006 . 2 . . . . 10 VAL HG12 . 15577 1 113 . 1 1 10 10 VAL HG13 H 1 1.173 0.006 . 2 . . . . 10 VAL HG13 . 15577 1 114 . 1 1 10 10 VAL HG21 H 1 0.938 0.006 . 2 . . . . 10 VAL HG21 . 15577 1 115 . 1 1 10 10 VAL HG22 H 1 0.938 0.006 . 2 . . . . 10 VAL HG22 . 15577 1 116 . 1 1 10 10 VAL HG23 H 1 0.938 0.006 . 2 . . . . 10 VAL HG23 . 15577 1 117 . 1 1 10 10 VAL C C 13 177.952 0.022 . 1 . . . . 10 VAL C . 15577 1 118 . 1 1 10 10 VAL CA C 13 67.313 0.061 . 1 . . . . 10 VAL CA . 15577 1 119 . 1 1 10 10 VAL CB C 13 31.749 0.06 . 1 . . . . 10 VAL CB . 15577 1 120 . 1 1 10 10 VAL CG1 C 13 22.961 0.03 . 2 . . . . 10 VAL CG1 . 15577 1 121 . 1 1 10 10 VAL CG2 C 13 21.711 0.04 . 2 . . . . 10 VAL CG2 . 15577 1 122 . 1 1 10 10 VAL N N 15 118.773 0.104 . 1 . . . . 10 VAL N . 15577 1 123 . 1 1 11 11 LEU H H 1 8.629 0.047 . 1 . . . . 11 LEU H . 15577 1 124 . 1 1 11 11 LEU HA H 1 3.9 0.005 . 1 . . . . 11 LEU HA . 15577 1 125 . 1 1 11 11 LEU HB2 H 1 2.12 0.008 . 2 . . . . 11 LEU HB2 . 15577 1 126 . 1 1 11 11 LEU HB3 H 1 0.988 0.014 . 2 . . . . 11 LEU HB3 . 15577 1 127 . 1 1 11 11 LEU HD11 H 1 0.918 0.008 . 2 . . . . 11 LEU HD11 . 15577 1 128 . 1 1 11 11 LEU HD12 H 1 0.918 0.008 . 2 . . . . 11 LEU HD12 . 15577 1 129 . 1 1 11 11 LEU HD13 H 1 0.918 0.008 . 2 . . . . 11 LEU HD13 . 15577 1 130 . 1 1 11 11 LEU HD21 H 1 0.738 0.01 . 2 . . . . 11 LEU HD21 . 15577 1 131 . 1 1 11 11 LEU HD22 H 1 0.738 0.01 . 2 . . . . 11 LEU HD22 . 15577 1 132 . 1 1 11 11 LEU HD23 H 1 0.738 0.01 . 2 . . . . 11 LEU HD23 . 15577 1 133 . 1 1 11 11 LEU HG H 1 1.946 0.008 . 1 . . . . 11 LEU HG . 15577 1 134 . 1 1 11 11 LEU C C 13 180.762 0.045 . 1 . . . . 11 LEU C . 15577 1 135 . 1 1 11 11 LEU CA C 13 58.349 0.06 . 1 . . . . 11 LEU CA . 15577 1 136 . 1 1 11 11 LEU CB C 13 43.121 0.066 . 1 . . . . 11 LEU CB . 15577 1 137 . 1 1 11 11 LEU CD1 C 13 25.653 0.051 . 2 . . . . 11 LEU CD1 . 15577 1 138 . 1 1 11 11 LEU CD2 C 13 23.3 0.047 . 2 . . . . 11 LEU CD2 . 15577 1 139 . 1 1 11 11 LEU CG C 13 26.76 0.103 . 1 . . . . 11 LEU CG . 15577 1 140 . 1 1 11 11 LEU N N 15 117.966 0.123 . 1 . . . . 11 LEU N . 15577 1 141 . 1 1 12 12 MET H H 1 8.361 0.01 . 1 . . . . 12 MET H . 15577 1 142 . 1 1 12 12 MET HA H 1 3.447 0.009 . 1 . . . . 12 MET HA . 15577 1 143 . 1 1 12 12 MET HB2 H 1 1.948 0.012 . 2 . . . . 12 MET HB2 . 15577 1 144 . 1 1 12 12 MET HB3 H 1 2.286 0.008 . 2 . . . . 12 MET HB3 . 15577 1 145 . 1 1 12 12 MET HE1 H 1 1.628 0.004 . 2 . . . . 12 MET HE1 . 15577 1 146 . 1 1 12 12 MET HE2 H 1 1.628 0.004 . 2 . . . . 12 MET HE2 . 15577 1 147 . 1 1 12 12 MET HE3 H 1 1.628 0.004 . 2 . . . . 12 MET HE3 . 15577 1 148 . 1 1 12 12 MET HG2 H 1 1.925 0.009 . 2 . . . . 12 MET HG2 . 15577 1 149 . 1 1 12 12 MET HG3 H 1 2.913 0.008 . 2 . . . . 12 MET HG3 . 15577 1 150 . 1 1 12 12 MET C C 13 176.51 0.04 . 1 . . . . 12 MET C . 15577 1 151 . 1 1 12 12 MET CA C 13 60.555 0.065 . 1 . . . . 12 MET CA . 15577 1 152 . 1 1 12 12 MET CB C 13 33.65 0.115 . 1 . . . . 12 MET CB . 15577 1 153 . 1 1 12 12 MET CE C 13 15.614 0.15 . 1 . . . . 12 MET CE . 15577 1 154 . 1 1 12 12 MET CG C 13 31.497 0.039 . 1 . . . . 12 MET CG . 15577 1 155 . 1 1 12 12 MET N N 15 119.421 0.092 . 1 . . . . 12 MET N . 15577 1 156 . 1 1 13 13 ARG H H 1 8.365 0.014 . 1 . . . . 13 ARG H . 15577 1 157 . 1 1 13 13 ARG HA H 1 4.162 0.01 . 1 . . . . 13 ARG HA . 15577 1 158 . 1 1 13 13 ARG HB2 H 1 2.011 0.008 . 2 . . . . 13 ARG HB2 . 15577 1 159 . 1 1 13 13 ARG HB3 H 1 1.822 0.009 . 2 . . . . 13 ARG HB3 . 15577 1 160 . 1 1 13 13 ARG HD2 H 1 2.783 0.013 . 2 . . . . 13 ARG HD2 . 15577 1 161 . 1 1 13 13 ARG HD3 H 1 2.877 0.009 . 2 . . . . 13 ARG HD3 . 15577 1 162 . 1 1 13 13 ARG HG2 H 1 1.594 0.008 . 2 . . . . 13 ARG HG2 . 15577 1 163 . 1 1 13 13 ARG HG3 H 1 1.462 0.003 . 2 . . . . 13 ARG HG3 . 15577 1 164 . 1 1 13 13 ARG HE H 1 11.048 0.018 . 1 . . . . 13 ARG HG3 . 15577 1 165 . 1 1 13 13 ARG C C 13 178.842 0.032 . 1 . . . . 13 ARG C . 15577 1 166 . 1 1 13 13 ARG CA C 13 60.917 0.068 . 1 . . . . 13 ARG CA . 15577 1 167 . 1 1 13 13 ARG CB C 13 29.075 0.049 . 1 . . . . 13 ARG CB . 15577 1 168 . 1 1 13 13 ARG CD C 13 42.852 0.164 . 1 . . . . 13 ARG CD . 15577 1 169 . 1 1 13 13 ARG CG C 13 27.405 0.179 . 1 . . . . 13 ARG CG . 15577 1 170 . 1 1 13 13 ARG N N 15 116.705 0.079 . 1 . . . . 13 ARG N . 15577 1 171 . 1 1 13 13 ARG NE N 15 85.242 0.3 . 1 . . . . 13 ARG N . 15577 1 172 . 1 1 14 14 LYS H H 1 9.066 0.013 . 1 . . . . 14 LYS H . 15577 1 173 . 1 1 14 14 LYS HA H 1 4.127 0.007 . 1 . . . . 14 LYS HA . 15577 1 174 . 1 1 14 14 LYS HB2 H 1 1.74 0.017 . 2 . . . . 14 LYS HB2 . 15577 1 175 . 1 1 14 14 LYS HB3 H 1 1.677 0.019 . 2 . . . . 14 LYS HB3 . 15577 1 176 . 1 1 14 14 LYS HD2 H 1 1.635 0.011 . 2 . . . . 14 LYS HD2 . 15577 1 177 . 1 1 14 14 LYS HD3 H 1 1.601 0.007 . 2 . . . . 14 LYS HD3 . 15577 1 178 . 1 1 14 14 LYS HE2 H 1 2.954 0.019 . 2 . . . . 14 LYS HE2 . 15577 1 179 . 1 1 14 14 LYS HE3 H 1 2.929 0.016 . 2 . . . . 14 LYS HE3 . 15577 1 180 . 1 1 14 14 LYS HG2 H 1 1.424 0.013 . 2 . . . . 14 LYS HG2 . 15577 1 181 . 1 1 14 14 LYS HG3 H 1 1.755 0.008 . 2 . . . . 14 LYS HG3 . 15577 1 182 . 1 1 14 14 LYS C C 13 181.292 0.003 . 1 . . . . 14 LYS C . 15577 1 183 . 1 1 14 14 LYS CA C 13 60.066 0.06 . 1 . . . . 14 LYS CA . 15577 1 184 . 1 1 14 14 LYS CB C 13 32.346 0.079 . 1 . . . . 14 LYS CB . 15577 1 185 . 1 1 14 14 LYS CD C 13 29.445 0.044 . 1 . . . . 14 LYS CD . 15577 1 186 . 1 1 14 14 LYS CE C 13 41.753 0.059 . 1 . . . . 14 LYS CE . 15577 1 187 . 1 1 14 14 LYS CG C 13 26.66 0.062 . 1 . . . . 14 LYS CG . 15577 1 188 . 1 1 14 14 LYS N N 15 119.058 0.218 . 1 . . . . 14 LYS N . 15577 1 189 . 1 1 15 15 SER H H 1 7.721 0.015 . 1 . . . . 15 SER H . 15577 1 190 . 1 1 15 15 SER HA H 1 4.153 0.017 . 1 . . . . 15 SER HA . 15577 1 191 . 1 1 15 15 SER HB2 H 1 3.958 0.009 . 2 . . . . 15 SER HB2 . 15577 1 192 . 1 1 15 15 SER HB3 H 1 4.091 0.008 . 2 . . . . 15 SER HB3 . 15577 1 193 . 1 1 15 15 SER C C 13 173.152 0.008 . 1 . . . . 15 SER C . 15577 1 194 . 1 1 15 15 SER CA C 13 61.885 0.091 . 1 . . . . 15 SER CA . 15577 1 195 . 1 1 15 15 SER CB C 13 62.914 0.069 . 1 . . . . 15 SER CB . 15577 1 196 . 1 1 15 15 SER N N 15 116.336 0.116 . 1 . . . . 15 SER N . 15577 1 197 . 1 1 16 16 GLU H H 1 6.965 0.013 . 1 . . . . 16 GLU H . 15577 1 198 . 1 1 16 16 GLU HA H 1 4.207 0.017 . 1 . . . . 16 GLU HA . 15577 1 199 . 1 1 16 16 GLU HB2 H 1 1.791 0.008 . 2 . . . . 16 GLU HB2 . 15577 1 200 . 1 1 16 16 GLU HB3 H 1 2.524 0.016 . 2 . . . . 16 GLU HB3 . 15577 1 201 . 1 1 16 16 GLU HG2 H 1 2.543 0.006 . 2 . . . . 16 GLU HG2 . 15577 1 202 . 1 1 16 16 GLU HG3 H 1 2.084 0.012 . 2 . . . . 16 GLU HG3 . 15577 1 203 . 1 1 16 16 GLU C C 13 174.477 0.034 . 1 . . . . 16 GLU C . 15577 1 204 . 1 1 16 16 GLU CA C 13 54.862 0.057 . 1 . . . . 16 GLU CA . 15577 1 205 . 1 1 16 16 GLU CB C 13 29.845 0.113 . 1 . . . . 16 GLU CB . 15577 1 206 . 1 1 16 16 GLU CG C 13 36.342 0.067 . 1 . . . . 16 GLU CG . 15577 1 207 . 1 1 16 16 GLU N N 15 116.672 0.115 . 1 . . . . 16 GLU N . 15577 1 208 . 1 1 17 17 TYR H H 1 7.46 0.011 . 1 . . . . 17 TYR H . 15577 1 209 . 1 1 17 17 TYR HA H 1 4.048 0.013 . 1 . . . . 17 TYR HA . 15577 1 210 . 1 1 17 17 TYR HB2 H 1 3.254 0.017 . 2 . . . . 17 TYR HB2 . 15577 1 211 . 1 1 17 17 TYR HB3 H 1 3.295 0.011 . 2 . . . . 17 TYR HB3 . 15577 1 212 . 1 1 17 17 TYR HD1 H 1 7.103 0.002 . 3 . . . . 17 TYR HD . 15577 1 213 . 1 1 17 17 TYR HD2 H 1 7.103 0.002 . 3 . . . . 17 TYR HD . 15577 1 214 . 1 1 17 17 TYR HE1 H 1 6.886 0.001 . 3 . . . . 17 TYR HE . 15577 1 215 . 1 1 17 17 TYR HE2 H 1 6.886 0.001 . 3 . . . . 17 TYR HE . 15577 1 216 . 1 1 17 17 TYR C C 13 174.738 0.034 . 1 . . . . 17 TYR C . 15577 1 217 . 1 1 17 17 TYR CA C 13 59.211 0.099 . 1 . . . . 17 TYR CA . 15577 1 218 . 1 1 17 17 TYR CB C 13 34.573 0.045 . 1 . . . . 17 TYR CB . 15577 1 219 . 1 1 17 17 TYR CD1 C 13 133.274 0.022 . 3 . . . . 17 TYR CD1 . 15577 1 220 . 1 1 17 17 TYR CE1 C 13 118.306 0.021 . 3 . . . . 17 TYR CE1 . 15577 1 221 . 1 1 17 17 TYR N N 15 114.792 0.099 . 1 . . . . 17 TYR N . 15577 1 222 . 1 1 18 18 LEU H H 1 7.765 0.016 . 1 . . . . 18 LEU H . 15577 1 223 . 1 1 18 18 LEU HA H 1 5.176 0.011 . 1 . . . . 18 LEU HA . 15577 1 224 . 1 1 18 18 LEU HB2 H 1 1.511 0.008 . 2 . . . . 18 LEU HB2 . 15577 1 225 . 1 1 18 18 LEU HB3 H 1 1.764 0.01 . 2 . . . . 18 LEU HB3 . 15577 1 226 . 1 1 18 18 LEU HD11 H 1 0.96 0.007 . 2 . . . . 18 LEU HD11 . 15577 1 227 . 1 1 18 18 LEU HD12 H 1 0.96 0.007 . 2 . . . . 18 LEU HD12 . 15577 1 228 . 1 1 18 18 LEU HD13 H 1 0.96 0.007 . 2 . . . . 18 LEU HD13 . 15577 1 229 . 1 1 18 18 LEU HD21 H 1 0.917 0.008 . 2 . . . . 18 LEU HD21 . 15577 1 230 . 1 1 18 18 LEU HD22 H 1 0.917 0.008 . 2 . . . . 18 LEU HD22 . 15577 1 231 . 1 1 18 18 LEU HD23 H 1 0.917 0.008 . 2 . . . . 18 LEU HD23 . 15577 1 232 . 1 1 18 18 LEU HG H 1 1.831 0.011 . 1 . . . . 18 LEU HG . 15577 1 233 . 1 1 18 18 LEU C C 13 177.934 0.007 . 1 . . . . 18 LEU C . 15577 1 234 . 1 1 18 18 LEU CA C 13 53.106 0.062 . 1 . . . . 18 LEU CA . 15577 1 235 . 1 1 18 18 LEU CB C 13 45.239 0.06 . 1 . . . . 18 LEU CB . 15577 1 236 . 1 1 18 18 LEU CD1 C 13 27.489 0.052 . 2 . . . . 18 LEU CD1 . 15577 1 237 . 1 1 18 18 LEU CD2 C 13 23.438 0.032 . 2 . . . . 18 LEU CD2 . 15577 1 238 . 1 1 18 18 LEU CG C 13 26.16 0.095 . 1 . . . . 18 LEU CG . 15577 1 239 . 1 1 18 18 LEU N N 15 116.895 0.1 . 1 . . . . 18 LEU N . 15577 1 240 . 1 1 19 19 SER H H 1 9.416 0.029 . 1 . . . . 19 SER H . 15577 1 241 . 1 1 19 19 SER HA H 1 4.604 0.018 . 1 . . . . 19 SER HA . 15577 1 242 . 1 1 19 19 SER HB2 H 1 4.08 0.007 . 2 . . . . 19 SER HB2 . 15577 1 243 . 1 1 19 19 SER HB3 H 1 4.109 0 . 2 . . . . 19 SER HB3 . 15577 1 244 . 1 1 19 19 SER C C 13 175.249 0.042 . 1 . . . . 19 SER C . 15577 1 245 . 1 1 19 19 SER CA C 13 57.006 0.102 . 1 . . . . 19 SER CA . 15577 1 246 . 1 1 19 19 SER CB C 13 65.616 0.039 . 1 . . . . 19 SER CB . 15577 1 247 . 1 1 19 19 SER N N 15 120.594 0.084 . 1 . . . . 19 SER N . 15577 1 248 . 1 1 20 20 ARG H H 1 9.716 0.013 . 1 . . . . 20 ARG H . 15577 1 249 . 1 1 20 20 ARG HA H 1 3.746 0.007 . 1 . . . . 20 ARG HA . 15577 1 250 . 1 1 20 20 ARG HB2 H 1 1.76 0.047 . 2 . . . . 20 ARG HB2 . 15577 1 251 . 1 1 20 20 ARG HB3 H 1 2.07 0.014 . 2 . . . . 20 ARG HB3 . 15577 1 252 . 1 1 20 20 ARG HD2 H 1 2.556 0.006 . 2 . . . . 20 ARG HD2 . 15577 1 253 . 1 1 20 20 ARG HD3 H 1 2.634 0.006 . 2 . . . . 20 ARG HD3 . 15577 1 254 . 1 1 20 20 ARG HE H 1 7.391 0.01 . 1 . . . . 20 ARG HE . 15577 1 255 . 1 1 20 20 ARG HG2 H 1 1.364 0.009 . 2 . . . . 20 ARG HG2 . 15577 1 256 . 1 1 20 20 ARG HG3 H 1 1.529 0.009 . 2 . . . . 20 ARG HG3 . 15577 1 257 . 1 1 20 20 ARG C C 13 178.074 0.037 . 1 . . . . 20 ARG C . 15577 1 258 . 1 1 20 20 ARG CA C 13 61.291 0.092 . 1 . . . . 20 ARG CA . 15577 1 259 . 1 1 20 20 ARG CB C 13 30.309 0.073 . 1 . . . . 20 ARG CB . 15577 1 260 . 1 1 20 20 ARG CD C 13 43.236 0.068 . 1 . . . . 20 ARG CD . 15577 1 261 . 1 1 20 20 ARG CG C 13 27.899 0.059 . 1 . . . . 20 ARG CG . 15577 1 262 . 1 1 20 20 ARG N N 15 123.757 0.06 . 1 . . . . 20 ARG N . 15577 1 263 . 1 1 20 20 ARG NE N 15 84.196 0.031 . 1 . . . . 20 ARG NE . 15577 1 264 . 1 1 21 21 GLN H H 1 8.886 0.023 . 1 . . . . 21 GLN H . 15577 1 265 . 1 1 21 21 GLN HA H 1 4.084 0.012 . 1 . . . . 21 GLN HA . 15577 1 266 . 1 1 21 21 GLN HB2 H 1 1.973 0.007 . 2 . . . . 21 GLN HB2 . 15577 1 267 . 1 1 21 21 GLN HB3 H 1 2.209 0.009 . 2 . . . . 21 GLN HB3 . 15577 1 268 . 1 1 21 21 GLN HE21 H 1 7.62 0.012 . 2 . . . . 21 GLN HE21 . 15577 1 269 . 1 1 21 21 GLN HE22 H 1 6.706 0.014 . 2 . . . . 21 GLN HE22 . 15577 1 270 . 1 1 21 21 GLN HG2 H 1 2.277 0.009 . 2 . . . . 21 GLN HG2 . 15577 1 271 . 1 1 21 21 GLN HG3 H 1 2.344 0.009 . 2 . . . . 21 GLN HG3 . 15577 1 272 . 1 1 21 21 GLN C C 13 177.652 0.004 . 1 . . . . 21 GLN C . 15577 1 273 . 1 1 21 21 GLN CA C 13 59.102 0.07 . 1 . . . . 21 GLN CA . 15577 1 274 . 1 1 21 21 GLN CB C 13 28.493 0.065 . 1 . . . . 21 GLN CB . 15577 1 275 . 1 1 21 21 GLN CD C 13 179.545 0.002 . 1 . . . . 21 GLN CD . 15577 1 276 . 1 1 21 21 GLN CG C 13 33.577 0.138 . 1 . . . . 21 GLN CG . 15577 1 277 . 1 1 21 21 GLN N N 15 118.378 0.086 . 1 . . . . 21 GLN N . 15577 1 278 . 1 1 21 21 GLN NE2 N 15 114.282 0.12 . 1 . . . . 21 GLN NE2 . 15577 1 279 . 1 1 22 22 GLN H H 1 8.046 0.022 . 1 . . . . 22 GLN H . 15577 1 280 . 1 1 22 22 GLN HA H 1 4.248 0.006 . 1 . . . . 22 GLN HA . 15577 1 281 . 1 1 22 22 GLN HB2 H 1 2.065 0.009 . 2 . . . . 22 GLN HB2 . 15577 1 282 . 1 1 22 22 GLN HB3 H 1 2.477 0.021 . 2 . . . . 22 GLN HB3 . 15577 1 283 . 1 1 22 22 GLN HE21 H 1 6.922 0.09 . 2 . . . . 22 GLN HE21 . 15577 1 284 . 1 1 22 22 GLN HE22 H 1 7.583 0.072 . 2 . . . . 22 GLN HE22 . 15577 1 285 . 1 1 22 22 GLN HG2 H 1 2.398 0.016 . 2 . . . . 22 GLN HG2 . 15577 1 286 . 1 1 22 22 GLN HG3 H 1 2.31 0.011 . 2 . . . . 22 GLN HG3 . 15577 1 287 . 1 1 22 22 GLN C C 13 179.56 0.03 . 1 . . . . 22 GLN C . 15577 1 288 . 1 1 22 22 GLN CA C 13 59.063 0.155 . 1 . . . . 22 GLN CA . 15577 1 289 . 1 1 22 22 GLN CB C 13 29.685 0.106 . 1 . . . . 22 GLN CB . 15577 1 290 . 1 1 22 22 GLN CD C 13 180.372 0.009 . 1 . . . . 22 GLN CD . 15577 1 291 . 1 1 22 22 GLN CG C 13 35.851 0.168 . 1 . . . . 22 GLN CG . 15577 1 292 . 1 1 22 22 GLN N N 15 118.035 0.183 . 1 . . . . 22 GLN N . 15577 1 293 . 1 1 22 22 GLN NE2 N 15 111.432 0.053 . 1 . . . . 22 GLN NE2 . 15577 1 294 . 1 1 23 23 LEU H H 1 8.412 0.012 . 1 . . . . 23 LEU H . 15577 1 295 . 1 1 23 23 LEU HA H 1 4.229 0.007 . 1 . . . . 23 LEU HA . 15577 1 296 . 1 1 23 23 LEU HB2 H 1 2.161 0.008 . 2 . . . . 23 LEU HB2 . 15577 1 297 . 1 1 23 23 LEU HB3 H 1 1.289 0.015 . 2 . . . . 23 LEU HB3 . 15577 1 298 . 1 1 23 23 LEU HD11 H 1 0.874 0.007 . 2 . . . . 23 LEU HD11 . 15577 1 299 . 1 1 23 23 LEU HD12 H 1 0.874 0.007 . 2 . . . . 23 LEU HD12 . 15577 1 300 . 1 1 23 23 LEU HD13 H 1 0.874 0.007 . 2 . . . . 23 LEU HD13 . 15577 1 301 . 1 1 23 23 LEU HD21 H 1 0.803 0.006 . 2 . . . . 23 LEU HD21 . 15577 1 302 . 1 1 23 23 LEU HD22 H 1 0.803 0.006 . 2 . . . . 23 LEU HD22 . 15577 1 303 . 1 1 23 23 LEU HD23 H 1 0.803 0.006 . 2 . . . . 23 LEU HD23 . 15577 1 304 . 1 1 23 23 LEU HG H 1 1.567 0.011 . 1 . . . . 23 LEU HG . 15577 1 305 . 1 1 23 23 LEU C C 13 179.027 0.047 . 1 . . . . 23 LEU C . 15577 1 306 . 1 1 23 23 LEU CA C 13 58.127 0.077 . 1 . . . . 23 LEU CA . 15577 1 307 . 1 1 23 23 LEU CB C 13 41.363 0.063 . 1 . . . . 23 LEU CB . 15577 1 308 . 1 1 23 23 LEU CD1 C 13 26.603 0.068 . 2 . . . . 23 LEU CD1 . 15577 1 309 . 1 1 23 23 LEU CD2 C 13 25.847 0.114 . 2 . . . . 23 LEU CD2 . 15577 1 310 . 1 1 23 23 LEU N N 15 120.239 0.111 . 1 . . . . 23 LEU N . 15577 1 311 . 1 1 24 24 ALA H H 1 8.522 0.028 . 1 . . . . 24 ALA H . 15577 1 312 . 1 1 24 24 ALA HA H 1 4.253 0.017 . 1 . . . . 24 ALA HA . 15577 1 313 . 1 1 24 24 ALA HB1 H 1 1.716 0.007 . 2 . . . . 24 ALA HB1 . 15577 1 314 . 1 1 24 24 ALA HB2 H 1 1.716 0.007 . 2 . . . . 24 ALA HB2 . 15577 1 315 . 1 1 24 24 ALA HB3 H 1 1.716 0.007 . 2 . . . . 24 ALA HB3 . 15577 1 316 . 1 1 24 24 ALA C C 13 179.76 0.003 . 1 . . . . 24 ALA C . 15577 1 317 . 1 1 24 24 ALA CA C 13 55.9 0.08 . 1 . . . . 24 ALA CA . 15577 1 318 . 1 1 24 24 ALA CB C 13 17.87 0.042 . 1 . . . . 24 ALA CB . 15577 1 319 . 1 1 24 24 ALA N N 15 127.024 0.065 . 1 . . . . 24 ALA N . 15577 1 320 . 1 1 25 25 ASP H H 1 8.442 0.011 . 1 . . . . 25 ASP H . 15577 1 321 . 1 1 25 25 ASP HA H 1 4.397 0.009 . 1 . . . . 25 ASP HA . 15577 1 322 . 1 1 25 25 ASP HB2 H 1 2.77 0.014 . 2 . . . . 25 ASP HB2 . 15577 1 323 . 1 1 25 25 ASP HB3 H 1 2.827 0.011 . 2 . . . . 25 ASP HB3 . 15577 1 324 . 1 1 25 25 ASP C C 13 176.715 0.016 . 1 . . . . 25 ASP C . 15577 1 325 . 1 1 25 25 ASP CA C 13 57.237 0.064 . 1 . . . . 25 ASP CA . 15577 1 326 . 1 1 25 25 ASP CB C 13 40.406 0.052 . 1 . . . . 25 ASP CB . 15577 1 327 . 1 1 25 25 ASP N N 15 118.975 0.181 . 1 . . . . 25 ASP N . 15577 1 328 . 1 1 26 26 LEU H H 1 8.124 0.009 . 1 . . . . 26 LEU H . 15577 1 329 . 1 1 26 26 LEU HA H 1 4.286 0.016 . 1 . . . . 26 LEU HA . 15577 1 330 . 1 1 26 26 LEU HB2 H 1 1.985 0.008 . 2 . . . . 26 LEU HB2 . 15577 1 331 . 1 1 26 26 LEU HB3 H 1 1.781 0.007 . 2 . . . . 26 LEU HB3 . 15577 1 332 . 1 1 26 26 LEU HD11 H 1 1.01 0.007 . 2 . . . . 26 LEU HD11 . 15577 1 333 . 1 1 26 26 LEU HD12 H 1 1.01 0.007 . 2 . . . . 26 LEU HD12 . 15577 1 334 . 1 1 26 26 LEU HD13 H 1 1.01 0.007 . 2 . . . . 26 LEU HD13 . 15577 1 335 . 1 1 26 26 LEU HD21 H 1 1.01 0.001 . 2 . . . . 26 LEU HD21 . 15577 1 336 . 1 1 26 26 LEU HD22 H 1 1.01 0.001 . 2 . . . . 26 LEU HD22 . 15577 1 337 . 1 1 26 26 LEU HD23 H 1 1.01 0.001 . 2 . . . . 26 LEU HD23 . 15577 1 338 . 1 1 26 26 LEU HG H 1 1.879 0.007 . 1 . . . . 26 LEU HG . 15577 1 339 . 1 1 26 26 LEU C C 13 178.512 0.008 . 1 . . . . 26 LEU C . 15577 1 340 . 1 1 26 26 LEU CA C 13 57.519 0.054 . 1 . . . . 26 LEU CA . 15577 1 341 . 1 1 26 26 LEU CB C 13 44.281 0.069 . 1 . . . . 26 LEU CB . 15577 1 342 . 1 1 26 26 LEU CD1 C 13 24.705 0.111 . 2 . . . . 26 LEU CD1 . 15577 1 343 . 1 1 26 26 LEU CD2 C 13 27.381 0.046 . 2 . . . . 26 LEU CD2 . 15577 1 344 . 1 1 26 26 LEU CG C 13 27.095 0.069 . 1 . . . . 26 LEU CG . 15577 1 345 . 1 1 26 26 LEU N N 15 118.833 0.13 . 1 . . . . 26 LEU N . 15577 1 346 . 1 1 27 27 THR H H 1 7.752 0.022 . 1 . . . . 27 THR H . 15577 1 347 . 1 1 27 27 THR HA H 1 4.447 0.019 . 1 . . . . 27 THR HA . 15577 1 348 . 1 1 27 27 THR HB H 1 4.115 0.005 . 1 . . . . 27 THR HB . 15577 1 349 . 1 1 27 27 THR HG21 H 1 1.348 0.039 . 2 . . . . 27 THR HG21 . 15577 1 350 . 1 1 27 27 THR HG22 H 1 1.348 0.039 . 2 . . . . 27 THR HG22 . 15577 1 351 . 1 1 27 27 THR HG23 H 1 1.348 0.039 . 2 . . . . 27 THR HG23 . 15577 1 352 . 1 1 27 27 THR C C 13 176.182 0.014 . 1 . . . . 27 THR C . 15577 1 353 . 1 1 27 27 THR CA C 13 62.474 0.11 . 1 . . . . 27 THR CA . 15577 1 354 . 1 1 27 27 THR CB C 13 71.949 0.111 . 1 . . . . 27 THR CB . 15577 1 355 . 1 1 27 27 THR CG2 C 13 22.959 0.043 . 1 . . . . 27 THR CG2 . 15577 1 356 . 1 1 27 27 THR N N 15 104.217 0.086 . 1 . . . . 27 THR N . 15577 1 357 . 1 1 28 28 GLY H H 1 8.175 0.019 . 1 . . . . 28 GLY H . 15577 1 358 . 1 1 28 28 GLY HA2 H 1 4.212 0.009 . 2 . . . . 28 GLY HA2 . 15577 1 359 . 1 1 28 28 GLY HA3 H 1 3.838 0.005 . 2 . . . . 28 GLY HA3 . 15577 1 360 . 1 1 28 28 GLY C C 13 174.027 0.016 . 1 . . . . 28 GLY C . 15577 1 361 . 1 1 28 28 GLY CA C 13 45.862 0.072 . 1 . . . . 28 GLY CA . 15577 1 362 . 1 1 28 28 GLY N N 15 111.195 0.083 . 1 . . . . 28 GLY N . 15577 1 363 . 1 1 29 29 VAL H H 1 7.709 0.011 . 1 . . . . 29 VAL H . 15577 1 364 . 1 1 29 29 VAL HA H 1 4.325 0.009 . 1 . . . . 29 VAL HA . 15577 1 365 . 1 1 29 29 VAL HB H 1 1.899 0.012 . 1 . . . . 29 VAL HB . 15577 1 366 . 1 1 29 29 VAL HG11 H 1 0.984 0.005 . 2 . . . . 29 VAL HG11 . 15577 1 367 . 1 1 29 29 VAL HG12 H 1 0.984 0.005 . 2 . . . . 29 VAL HG12 . 15577 1 368 . 1 1 29 29 VAL HG13 H 1 0.984 0.005 . 2 . . . . 29 VAL HG13 . 15577 1 369 . 1 1 29 29 VAL HG21 H 1 0.937 0.008 . 2 . . . . 29 VAL HG21 . 15577 1 370 . 1 1 29 29 VAL HG22 H 1 0.937 0.008 . 2 . . . . 29 VAL HG22 . 15577 1 371 . 1 1 29 29 VAL HG23 H 1 0.937 0.008 . 2 . . . . 29 VAL HG23 . 15577 1 372 . 1 1 29 29 VAL C C 13 173.343 0 . 1 . . . . 29 VAL C . 15577 1 373 . 1 1 29 29 VAL CA C 13 59.767 0.11 . 1 . . . . 29 VAL CA . 15577 1 374 . 1 1 29 29 VAL CB C 13 33.108 0.174 . 1 . . . . 29 VAL CB . 15577 1 375 . 1 1 29 29 VAL CG1 C 13 21.317 0.06 . 2 . . . . 29 VAL CG1 . 15577 1 376 . 1 1 29 29 VAL CG2 C 13 21.796 0.108 . 2 . . . . 29 VAL CG2 . 15577 1 377 . 1 1 29 29 VAL N N 15 124.65 0.087 . 1 . . . . 29 VAL N . 15577 1 378 . 1 1 30 30 PRO HA H 1 4.334 0.006 . 1 . . . . 30 PRO HA . 15577 1 379 . 1 1 30 30 PRO HB2 H 1 1.906 0.012 . 2 . . . . 30 PRO HB2 . 15577 1 380 . 1 1 30 30 PRO HB3 H 1 2.471 0.005 . 2 . . . . 30 PRO HB3 . 15577 1 381 . 1 1 30 30 PRO HD2 H 1 3.053 0.01 . 2 . . . . 30 PRO HD2 . 15577 1 382 . 1 1 30 30 PRO HD3 H 1 3.502 0.005 . 2 . . . . 30 PRO HD3 . 15577 1 383 . 1 1 30 30 PRO HG2 H 1 2.052 0.006 . 2 . . . . 30 PRO HG2 . 15577 1 384 . 1 1 30 30 PRO HG3 H 1 2.143 0.008 . 2 . . . . 30 PRO HG3 . 15577 1 385 . 1 1 30 30 PRO C C 13 177.456 0.039 . 1 . . . . 30 PRO C . 15577 1 386 . 1 1 30 30 PRO CA C 13 63.075 0.093 . 1 . . . . 30 PRO CA . 15577 1 387 . 1 1 30 30 PRO CB C 13 32.614 0.07 . 1 . . . . 30 PRO CB . 15577 1 388 . 1 1 30 30 PRO CD C 13 50.907 0.07 . 1 . . . . 30 PRO CD . 15577 1 389 . 1 1 30 30 PRO CG C 13 28.09 0.057 . 1 . . . . 30 PRO CG . 15577 1 390 . 1 1 31 31 TYR H H 1 9.13 0.015 . 1 . . . . 31 TYR H . 15577 1 391 . 1 1 31 31 TYR HA H 1 3.655 0.009 . 1 . . . . 31 TYR HA . 15577 1 392 . 1 1 31 31 TYR HB2 H 1 3.085 0.005 . 2 . . . . 31 TYR HB2 . 15577 1 393 . 1 1 31 31 TYR HB3 H 1 2.913 0.012 . 2 . . . . 31 TYR HB3 . 15577 1 394 . 1 1 31 31 TYR HD1 H 1 6.793 0.004 . 3 . . . . 31 TYR HD . 15577 1 395 . 1 1 31 31 TYR HD2 H 1 6.793 0.004 . 3 . . . . 31 TYR HD . 15577 1 396 . 1 1 31 31 TYR HE1 H 1 6.801 0.004 . 3 . . . . 31 TYR HE . 15577 1 397 . 1 1 31 31 TYR HE2 H 1 6.801 0.004 . 3 . . . . 31 TYR HE . 15577 1 398 . 1 1 31 31 TYR C C 13 178.125 0.041 . 1 . . . . 31 TYR C . 15577 1 399 . 1 1 31 31 TYR CA C 13 62.861 0.087 . 1 . . . . 31 TYR CA . 15577 1 400 . 1 1 31 31 TYR CB C 13 39.167 0.068 . 1 . . . . 31 TYR CB . 15577 1 401 . 1 1 31 31 TYR CD1 C 13 132.808 0.131 . 3 . . . . 31 TYR CD1 . 15577 1 402 . 1 1 31 31 TYR CE1 C 13 118.296 0.052 . 3 . . . . 31 TYR CE1 . 15577 1 403 . 1 1 31 31 TYR N N 15 125.293 0.155 . 1 . . . . 31 TYR N . 15577 1 404 . 1 1 32 32 GLY H H 1 9.357 0.014 . 1 . . . . 32 GLY H . 15577 1 405 . 1 1 32 32 GLY HA2 H 1 3.825 0.008 . 2 . . . . 32 GLY HA2 . 15577 1 406 . 1 1 32 32 GLY HA3 H 1 3.589 0.004 . 2 . . . . 32 GLY HA3 . 15577 1 407 . 1 1 32 32 GLY C C 13 175.84 0.023 . 1 . . . . 32 GLY C . 15577 1 408 . 1 1 32 32 GLY CA C 13 46.871 0.063 . 1 . . . . 32 GLY CA . 15577 1 409 . 1 1 32 32 GLY N N 15 107.105 0.082 . 1 . . . . 32 GLY N . 15577 1 410 . 1 1 33 33 THR H H 1 6.893 0.014 . 1 . . . . 33 THR H . 15577 1 411 . 1 1 33 33 THR HA H 1 3.638 0.039 . 1 . . . . 33 THR HA . 15577 1 412 . 1 1 33 33 THR HB H 1 3.867 0.006 . 1 . . . . 33 THR HB . 15577 1 413 . 1 1 33 33 THR HG21 H 1 0.834 0.008 . 2 . . . . 33 THR HG21 . 15577 1 414 . 1 1 33 33 THR HG22 H 1 0.834 0.008 . 2 . . . . 33 THR HG22 . 15577 1 415 . 1 1 33 33 THR HG23 H 1 0.834 0.008 . 2 . . . . 33 THR HG23 . 15577 1 416 . 1 1 33 33 THR C C 13 175.23 0.004 . 1 . . . . 33 THR C . 15577 1 417 . 1 1 33 33 THR CA C 13 65.698 0.109 . 1 . . . . 33 THR CA . 15577 1 418 . 1 1 33 33 THR CB C 13 68.109 0.123 . 1 . . . . 33 THR CB . 15577 1 419 . 1 1 33 33 THR CG2 C 13 22.223 0.089 . 1 . . . . 33 THR CG2 . 15577 1 420 . 1 1 33 33 THR N N 15 117.939 0.11 . 1 . . . . 33 THR N . 15577 1 421 . 1 1 34 34 LEU H H 1 8.148 0.018 . 1 . . . . 34 LEU H . 15577 1 422 . 1 1 34 34 LEU HA H 1 3.722 0.009 . 1 . . . . 34 LEU HA . 15577 1 423 . 1 1 34 34 LEU HB2 H 1 1.457 0.015 . 2 . . . . 34 LEU HB2 . 15577 1 424 . 1 1 34 34 LEU HB3 H 1 1.338 0.007 . 2 . . . . 34 LEU HB3 . 15577 1 425 . 1 1 34 34 LEU HD11 H 1 0.893 0.005 . 2 . . . . 34 LEU HD11 . 15577 1 426 . 1 1 34 34 LEU HD12 H 1 0.893 0.005 . 2 . . . . 34 LEU HD12 . 15577 1 427 . 1 1 34 34 LEU HD13 H 1 0.893 0.005 . 2 . . . . 34 LEU HD13 . 15577 1 428 . 1 1 34 34 LEU HD21 H 1 0.844 0.005 . 2 . . . . 34 LEU HD21 . 15577 1 429 . 1 1 34 34 LEU HD22 H 1 0.844 0.005 . 2 . . . . 34 LEU HD22 . 15577 1 430 . 1 1 34 34 LEU HD23 H 1 0.844 0.005 . 2 . . . . 34 LEU HD23 . 15577 1 431 . 1 1 34 34 LEU HG H 1 1.473 0.008 . 1 . . . . 34 LEU HG . 15577 1 432 . 1 1 34 34 LEU C C 13 178.929 0.008 . 1 . . . . 34 LEU C . 15577 1 433 . 1 1 34 34 LEU CA C 13 57.943 0.07 . 1 . . . . 34 LEU CA . 15577 1 434 . 1 1 34 34 LEU CB C 13 41.429 0.057 . 1 . . . . 34 LEU CB . 15577 1 435 . 1 1 34 34 LEU CD1 C 13 24.446 0.092 . 2 . . . . 34 LEU CD1 . 15577 1 436 . 1 1 34 34 LEU CD2 C 13 24.922 0.056 . 2 . . . . 34 LEU CD2 . 15577 1 437 . 1 1 34 34 LEU CG C 13 26.913 0.125 . 1 . . . . 34 LEU CG . 15577 1 438 . 1 1 34 34 LEU N N 15 121.132 0.226 . 1 . . . . 34 LEU N . 15577 1 439 . 1 1 35 35 SER H H 1 8.132 0.01 . 1 . . . . 35 SER H . 15577 1 440 . 1 1 35 35 SER HA H 1 3.756 0.018 . 1 . . . . 35 SER HA . 15577 1 441 . 1 1 35 35 SER HB2 H 1 3.864 0.008 . 2 . . . . 35 SER HB2 . 15577 1 442 . 1 1 35 35 SER HB3 H 1 3.694 0.007 . 2 . . . . 35 SER HB3 . 15577 1 443 . 1 1 35 35 SER C C 13 176.647 0 . 1 . . . . 35 SER C . 15577 1 444 . 1 1 35 35 SER CA C 13 62.191 0.071 . 1 . . . . 35 SER CA . 15577 1 445 . 1 1 35 35 SER CB C 13 62.221 0.074 . 1 . . . . 35 SER CB . 15577 1 446 . 1 1 35 35 SER N N 15 113.936 0.13 . 1 . . . . 35 SER N . 15577 1 447 . 1 1 36 36 TYR H H 1 7.345 0.011 . 1 . . . . 36 TYR H . 15577 1 448 . 1 1 36 36 TYR HA H 1 4.415 0.008 . 1 . . . . 36 TYR HA . 15577 1 449 . 1 1 36 36 TYR HB2 H 1 3.025 0.004 . 2 . . . . 36 TYR HB2 . 15577 1 450 . 1 1 36 36 TYR HB3 H 1 3.241 0.007 . 2 . . . . 36 TYR HB3 . 15577 1 451 . 1 1 36 36 TYR HD1 H 1 7.448 0.005 . 3 . . . . 36 TYR HD1 . 15577 1 452 . 1 1 36 36 TYR C C 13 179.122 0 . 1 . . . . 36 TYR C . 15577 1 453 . 1 1 36 36 TYR CA C 13 59.77 0.084 . 1 . . . . 36 TYR CA . 15577 1 454 . 1 1 36 36 TYR CB C 13 36.595 0.041 . 1 . . . . 36 TYR CB . 15577 1 455 . 1 1 36 36 TYR CD1 C 13 130.262 0 . 3 . . . . 36 TYR CD1 . 15577 1 456 . 1 1 36 36 TYR N N 15 123.563 0.038 . 1 . . . . 36 TYR N . 15577 1 457 . 1 1 37 37 TYR H H 1 8.111 0.013 . 1 . . . . 37 TYR H . 15577 1 458 . 1 1 37 37 TYR HA H 1 5.105 0.006 . 1 . . . . 37 TYR HA . 15577 1 459 . 1 1 37 37 TYR HB2 H 1 3.046 0.012 . 2 . . . . 37 TYR HB2 . 15577 1 460 . 1 1 37 37 TYR HB3 H 1 3.257 0.013 . 2 . . . . 37 TYR HB3 . 15577 1 461 . 1 1 37 37 TYR HD1 H 1 6.825 0.007 . 3 . . . . 37 TYR HD1 . 15577 1 462 . 1 1 37 37 TYR HD2 H 1 7.02 0.001 . 3 . . . . 37 TYR HD2 . 15577 1 463 . 1 1 37 37 TYR HE1 H 1 6.622 0.004 . 3 . . . . 37 TYR HE . 15577 1 464 . 1 1 37 37 TYR HE2 H 1 6.622 0.004 . 3 . . . . 37 TYR HE . 15577 1 465 . 1 1 37 37 TYR C C 13 180.287 0.009 . 1 . . . . 37 TYR C . 15577 1 466 . 1 1 37 37 TYR CA C 13 56.923 0.056 . 1 . . . . 37 TYR CA . 15577 1 467 . 1 1 37 37 TYR CB C 13 36.541 0.055 . 1 . . . . 37 TYR CB . 15577 1 468 . 1 1 37 37 TYR CD1 C 13 130.962 0.024 . 3 . . . . 37 TYR CD1 . 15577 1 469 . 1 1 37 37 TYR CD2 C 13 131.721 0.008 . 3 . . . . 37 TYR CD2 . 15577 1 470 . 1 1 37 37 TYR CE1 C 13 118.497 0.038 . 3 . . . . 37 TYR CE1 . 15577 1 471 . 1 1 37 37 TYR N N 15 119.249 0.049 . 1 . . . . 37 TYR N . 15577 1 472 . 1 1 38 38 GLU H H 1 8.683 0.01 . 1 . . . . 38 GLU H . 15577 1 473 . 1 1 38 38 GLU HA H 1 4.054 0.009 . 1 . . . . 38 GLU HA . 15577 1 474 . 1 1 38 38 GLU HB2 H 1 1.864 0.007 . 2 . . . . 38 GLU HB2 . 15577 1 475 . 1 1 38 38 GLU HB3 H 1 2.094 0.008 . 2 . . . . 38 GLU HB3 . 15577 1 476 . 1 1 38 38 GLU HG2 H 1 2.647 0.005 . 2 . . . . 38 GLU HG2 . 15577 1 477 . 1 1 38 38 GLU HG3 H 1 1.993 0.005 . 2 . . . . 38 GLU HG3 . 15577 1 478 . 1 1 38 38 GLU C C 13 176.927 0.019 . 1 . . . . 38 GLU C . 15577 1 479 . 1 1 38 38 GLU CA C 13 60.268 0.081 . 1 . . . . 38 GLU CA . 15577 1 480 . 1 1 38 38 GLU CB C 13 29.989 0.068 . 1 . . . . 38 GLU CB . 15577 1 481 . 1 1 38 38 GLU CG C 13 38.003 0.051 . 1 . . . . 38 GLU CG . 15577 1 482 . 1 1 38 38 GLU N N 15 117.618 0.063 . 1 . . . . 38 GLU N . 15577 1 483 . 1 1 39 39 SER H H 1 7.869 0.03 . 1 . . . . 39 SER H . 15577 1 484 . 1 1 39 39 SER HA H 1 4.671 0.008 . 1 . . . . 39 SER HA . 15577 1 485 . 1 1 39 39 SER HB2 H 1 4.162 0.006 . 2 . . . . 39 SER HB2 . 15577 1 486 . 1 1 39 39 SER HB3 H 1 4.033 0.007 . 2 . . . . 39 SER HB3 . 15577 1 487 . 1 1 39 39 SER C C 13 175.743 0.006 . 1 . . . . 39 SER C . 15577 1 488 . 1 1 39 39 SER CA C 13 58.366 0.061 . 1 . . . . 39 SER CA . 15577 1 489 . 1 1 39 39 SER CB C 13 64.393 0.092 . 1 . . . . 39 SER CB . 15577 1 490 . 1 1 39 39 SER N N 15 111.076 0.13 . 1 . . . . 39 SER N . 15577 1 491 . 1 1 40 40 GLY H H 1 7.64 0.011 . 1 . . . . 40 GLY H . 15577 1 492 . 1 1 40 40 GLY HA2 H 1 4.008 0.008 . 2 . . . . 40 GLY HA2 . 15577 1 493 . 1 1 40 40 GLY HA3 H 1 4.354 0.013 . 2 . . . . 40 GLY HA3 . 15577 1 494 . 1 1 40 40 GLY C C 13 174.296 0.07 . 1 . . . . 40 GLY C . 15577 1 495 . 1 1 40 40 GLY CA C 13 45.623 0.122 . 1 . . . . 40 GLY CA . 15577 1 496 . 1 1 40 40 GLY N N 15 109.272 0.093 . 1 . . . . 40 GLY N . 15577 1 497 . 1 1 41 41 ARG H H 1 8.149 0.015 . 1 . . . . 41 ARG H . 15577 1 498 . 1 1 41 41 ARG HA H 1 4.17 0.006 . 1 . . . . 41 ARG HA . 15577 1 499 . 1 1 41 41 ARG HB2 H 1 1.501 0.013 . 2 . . . . 41 ARG HB2 . 15577 1 500 . 1 1 41 41 ARG HB3 H 1 1.659 0.046 . 2 . . . . 41 ARG HB3 . 15577 1 501 . 1 1 41 41 ARG HD2 H 1 2.88 0.007 . 2 . . . . 41 ARG HD2 . 15577 1 502 . 1 1 41 41 ARG HD3 H 1 2.777 0.011 . 2 . . . . 41 ARG HD3 . 15577 1 503 . 1 1 41 41 ARG HG2 H 1 1.504 0.005 . 2 . . . . 41 ARG HG2 . 15577 1 504 . 1 1 41 41 ARG HG3 H 1 1.694 0.003 . 2 . . . . 41 ARG HG3 . 15577 1 505 . 1 1 41 41 ARG C C 13 176.111 0.01 . 1 . . . . 41 ARG C . 15577 1 506 . 1 1 41 41 ARG CA C 13 57.768 0.128 . 1 . . . . 41 ARG CA . 15577 1 507 . 1 1 41 41 ARG CB C 13 31.271 0.072 . 1 . . . . 41 ARG CB . 15577 1 508 . 1 1 41 41 ARG CD C 13 42.92 0.076 . 1 . . . . 41 ARG CD . 15577 1 509 . 1 1 41 41 ARG CG C 13 27.273 0.028 . 1 . . . . 41 ARG CG . 15577 1 510 . 1 1 41 41 ARG N N 15 120.559 0.333 . 1 . . . . 41 ARG N . 15577 1 511 . 1 1 42 42 SER H H 1 7.443 0.013 . 1 . . . . 42 SER H . 15577 1 512 . 1 1 42 42 SER HA H 1 4.78 0.008 . 1 . . . . 42 SER HA . 15577 1 513 . 1 1 42 42 SER HB2 H 1 3.902 0.01 . 2 . . . . 42 SER HB2 . 15577 1 514 . 1 1 42 42 SER HB3 H 1 3.798 0.017 . 2 . . . . 42 SER HB3 . 15577 1 515 . 1 1 42 42 SER C C 13 173.106 0.01 . 1 . . . . 42 SER C . 15577 1 516 . 1 1 42 42 SER CA C 13 56.906 0.097 . 1 . . . . 42 SER CA . 15577 1 517 . 1 1 42 42 SER CB C 13 65.774 0.032 . 1 . . . . 42 SER CB . 15577 1 518 . 1 1 42 42 SER N N 15 110.385 0.211 . 1 . . . . 42 SER N . 15577 1 519 . 1 1 43 43 THR H H 1 9.066 0.017 . 1 . . . . 43 THR H . 15577 1 520 . 1 1 43 43 THR HA H 1 4.697 0.003 . 1 . . . . 43 THR HA . 15577 1 521 . 1 1 43 43 THR HB H 1 4.074 0.004 . 1 . . . . 43 THR HB . 15577 1 522 . 1 1 43 43 THR HG21 H 1 1.351 0.004 . 2 . . . . 43 THR HG21 . 15577 1 523 . 1 1 43 43 THR HG22 H 1 1.351 0.004 . 2 . . . . 43 THR HG22 . 15577 1 524 . 1 1 43 43 THR HG23 H 1 1.351 0.004 . 2 . . . . 43 THR HG23 . 15577 1 525 . 1 1 43 43 THR C C 13 172.286 0 . 1 . . . . 43 THR C . 15577 1 526 . 1 1 43 43 THR CA C 13 59.811 0.123 . 1 . . . . 43 THR CA . 15577 1 527 . 1 1 43 43 THR CB C 13 70.333 0.073 . 1 . . . . 43 THR CB . 15577 1 528 . 1 1 43 43 THR CG2 C 13 21.508 0.056 . 1 . . . . 43 THR CG2 . 15577 1 529 . 1 1 43 43 THR N N 15 121.589 0.087 . 1 . . . . 43 THR N . 15577 1 530 . 1 1 44 44 PRO HB2 H 1 1.407 0.004 . 2 . . . . 44 PRO HB2 . 15577 1 531 . 1 1 44 44 PRO HB3 H 1 1.046 0.004 . 2 . . . . 44 PRO HB3 . 15577 1 532 . 1 1 44 44 PRO HD2 H 1 3.41 0.007 . 2 . . . . 44 PRO HD2 . 15577 1 533 . 1 1 44 44 PRO HD3 H 1 3.595 0.015 . 2 . . . . 44 PRO HD3 . 15577 1 534 . 1 1 44 44 PRO HG2 H 1 1.753 0.004 . 2 . . . . 44 PRO HG2 . 15577 1 535 . 1 1 44 44 PRO HG3 H 1 0.993 0.007 . 2 . . . . 44 PRO HG3 . 15577 1 536 . 1 1 44 44 PRO CA C 13 60.93 0.066 . 1 . . . . 44 PRO CA . 15577 1 537 . 1 1 44 44 PRO CB C 13 29.786 0.078 . 1 . . . . 44 PRO CB . 15577 1 538 . 1 1 44 44 PRO CD C 13 50.835 0.076 . 1 . . . . 44 PRO CD . 15577 1 539 . 1 1 44 44 PRO CG C 13 26.521 0.054 . 1 . . . . 44 PRO CG . 15577 1 540 . 1 1 45 45 PRO HA H 1 4.667 0.014 . 1 . . . . 45 PRO HA . 15577 1 541 . 1 1 45 45 PRO HB2 H 1 2.49 0.018 . 2 . . . . 45 PRO HB2 . 15577 1 542 . 1 1 45 45 PRO HB3 H 1 2.339 0.016 . 2 . . . . 45 PRO HB3 . 15577 1 543 . 1 1 45 45 PRO HD2 H 1 3.548 0.005 . 2 . . . . 45 PRO HD2 . 15577 1 544 . 1 1 45 45 PRO HD3 H 1 4.156 0.015 . 2 . . . . 45 PRO HD3 . 15577 1 545 . 1 1 45 45 PRO HG2 H 1 2.226 0.013 . 2 . . . . 45 PRO HG2 . 15577 1 546 . 1 1 45 45 PRO HG3 H 1 2.262 0.008 . 2 . . . . 45 PRO HG3 . 15577 1 547 . 1 1 45 45 PRO CA C 13 63.12 0.082 . 1 . . . . 45 PRO CA . 15577 1 548 . 1 1 45 45 PRO CB C 13 33.052 0.038 . 1 . . . . 45 PRO CB . 15577 1 549 . 1 1 45 45 PRO CD C 13 51.616 0.079 . 1 . . . . 45 PRO CD . 15577 1 550 . 1 1 45 45 PRO CG C 13 27.948 0.053 . 1 . . . . 45 PRO CG . 15577 1 551 . 1 1 46 46 THR H H 1 8.274 0.016 . 1 . . . . 46 THR H . 15577 1 552 . 1 1 46 46 THR HA H 1 3.765 0.011 . 1 . . . . 46 THR HA . 15577 1 553 . 1 1 46 46 THR HB H 1 3.882 0.01 . 1 . . . . 46 THR HB . 15577 1 554 . 1 1 46 46 THR HG21 H 1 1.264 0.007 . 2 . . . . 46 THR HG21 . 15577 1 555 . 1 1 46 46 THR HG22 H 1 1.264 0.007 . 2 . . . . 46 THR HG22 . 15577 1 556 . 1 1 46 46 THR HG23 H 1 1.264 0.007 . 2 . . . . 46 THR HG23 . 15577 1 557 . 1 1 46 46 THR C C 13 174.845 0 . 1 . . . . 46 THR C . 15577 1 558 . 1 1 46 46 THR CA C 13 68.855 0.12 . 1 . . . . 46 THR CA . 15577 1 559 . 1 1 46 46 THR CB C 13 68.501 0.096 . 1 . . . . 46 THR CB . 15577 1 560 . 1 1 46 46 THR CG2 C 13 22.002 0.096 . 1 . . . . 46 THR CG2 . 15577 1 561 . 1 1 46 46 THR N N 15 118.136 0.097 . 1 . . . . 46 THR N . 15577 1 562 . 1 1 47 47 ASP H H 1 8.632 0.013 . 1 . . . . 47 ASP H . 15577 1 563 . 1 1 47 47 ASP HA H 1 4.248 0.01 . 1 . . . . 47 ASP HA . 15577 1 564 . 1 1 47 47 ASP HB2 H 1 2.64 0.015 . 2 . . . . 47 ASP HB2 . 15577 1 565 . 1 1 47 47 ASP HB3 H 1 2.682 0.01 . 2 . . . . 47 ASP HB3 . 15577 1 566 . 1 1 47 47 ASP C C 13 177.937 0.03 . 1 . . . . 47 ASP C . 15577 1 567 . 1 1 47 47 ASP CA C 13 56.905 0.146 . 1 . . . . 47 ASP CA . 15577 1 568 . 1 1 47 47 ASP CB C 13 37.963 0.036 . 1 . . . . 47 ASP CB . 15577 1 569 . 1 1 47 47 ASP N N 15 116.746 0.139 . 1 . . . . 47 ASP N . 15577 1 570 . 1 1 48 48 VAL H H 1 7.005 0.019 . 1 . . . . 48 VAL H . 15577 1 571 . 1 1 48 48 VAL HA H 1 3.781 0.008 . 1 . . . . 48 VAL HA . 15577 1 572 . 1 1 48 48 VAL HB H 1 1.955 0.007 . 1 . . . . 48 VAL HB . 15577 1 573 . 1 1 48 48 VAL HG11 H 1 1.118 0.006 . 2 . . . . 48 VAL HG11 . 15577 1 574 . 1 1 48 48 VAL HG12 H 1 1.118 0.006 . 2 . . . . 48 VAL HG12 . 15577 1 575 . 1 1 48 48 VAL HG13 H 1 1.118 0.006 . 2 . . . . 48 VAL HG13 . 15577 1 576 . 1 1 48 48 VAL HG21 H 1 1.086 0.004 . 2 . . . . 48 VAL HG21 . 15577 1 577 . 1 1 48 48 VAL HG22 H 1 1.086 0.004 . 2 . . . . 48 VAL HG22 . 15577 1 578 . 1 1 48 48 VAL HG23 H 1 1.086 0.004 . 2 . . . . 48 VAL HG23 . 15577 1 579 . 1 1 48 48 VAL C C 13 177.74 0.007 . 1 . . . . 48 VAL C . 15577 1 580 . 1 1 48 48 VAL CA C 13 65.793 0.08 . 1 . . . . 48 VAL CA . 15577 1 581 . 1 1 48 48 VAL CB C 13 31.873 0.099 . 1 . . . . 48 VAL CB . 15577 1 582 . 1 1 48 48 VAL CG1 C 13 22.556 0.036 . 2 . . . . 48 VAL CG1 . 15577 1 583 . 1 1 48 48 VAL CG2 C 13 21.019 0.051 . 2 . . . . 48 VAL CG2 . 15577 1 584 . 1 1 48 48 VAL N N 15 122.919 0.076 . 1 . . . . 48 VAL N . 15577 1 585 . 1 1 49 49 MET H H 1 7.421 0.015 . 1 . . . . 49 MET H . 15577 1 586 . 1 1 49 49 MET HE1 H 1 2.052 0.001 . 3 . . . . 49 MET HE . 15577 1 587 . 1 1 49 49 MET HE2 H 1 2.052 0.001 . 3 . . . . 49 MET HE . 15577 1 588 . 1 1 49 49 MET HE3 H 1 2.052 0.001 . 3 . . . . 49 MET HE . 15577 1 589 . 1 1 49 49 MET C C 13 179.185 0 . 1 . . . . 49 MET C . 15577 1 590 . 1 1 49 49 MET CA C 13 56.006 0.044 . 1 . . . . 49 MET CA . 15577 1 591 . 1 1 49 49 MET CB C 13 31.782 0.053 . 1 . . . . 49 MET CB . 15577 1 592 . 1 1 49 49 MET CE C 13 16.574 0.002 . 1 . . . . 49 MET CE . 15577 1 593 . 1 1 49 49 MET N N 15 117.945 0.15 . 1 . . . . 49 MET N . 15577 1 594 . 1 1 50 50 MET H H 1 8.446 0.009 . 1 . . . . 50 MET H . 15577 1 595 . 1 1 50 50 MET HA H 1 3.848 0.017 . 1 . . . . 50 MET HA . 15577 1 596 . 1 1 50 50 MET HB2 H 1 2.174 0.021 . 2 . . . . 50 MET HB2 . 15577 1 597 . 1 1 50 50 MET HB3 H 1 2.128 0.004 . 2 . . . . 50 MET HB3 . 15577 1 598 . 1 1 50 50 MET HE1 H 1 1.79 0.009 . 2 . . . . 50 MET HE1 . 15577 1 599 . 1 1 50 50 MET HE2 H 1 1.79 0.009 . 2 . . . . 50 MET HE2 . 15577 1 600 . 1 1 50 50 MET HE3 H 1 1.79 0.009 . 2 . . . . 50 MET HE3 . 15577 1 601 . 1 1 50 50 MET HG2 H 1 2.779 0.025 . 2 . . . . 50 MET HG2 . 15577 1 602 . 1 1 50 50 MET HG3 H 1 2.206 0.014 . 2 . . . . 50 MET HG3 . 15577 1 603 . 1 1 50 50 MET C C 13 176.697 0.014 . 1 . . . . 50 MET C . 15577 1 604 . 1 1 50 50 MET CA C 13 60.54 0.066 . 1 . . . . 50 MET CA . 15577 1 605 . 1 1 50 50 MET CB C 13 32.706 0.074 . 1 . . . . 50 MET CB . 15577 1 606 . 1 1 50 50 MET CE C 13 17.913 0.017 . 1 . . . . 50 MET CE . 15577 1 607 . 1 1 50 50 MET CG C 13 33.364 0.073 . 1 . . . . 50 MET CG . 15577 1 608 . 1 1 50 50 MET N N 15 118.629 0.153 . 1 . . . . 50 MET N . 15577 1 609 . 1 1 51 51 ASN H H 1 7.486 0.012 . 1 . . . . 51 ASN H . 15577 1 610 . 1 1 51 51 ASN HA H 1 4.339 0.006 . 1 . . . . 51 ASN HA . 15577 1 611 . 1 1 51 51 ASN HB2 H 1 3.024 0.011 . 2 . . . . 51 ASN HB2 . 15577 1 612 . 1 1 51 51 ASN HB3 H 1 2.992 0.008 . 2 . . . . 51 ASN HB3 . 15577 1 613 . 1 1 51 51 ASN HD21 H 1 6.964 0.019 . 2 . . . . 51 ASN HD21 . 15577 1 614 . 1 1 51 51 ASN HD22 H 1 7.29 0.013 . 2 . . . . 51 ASN HD22 . 15577 1 615 . 1 1 51 51 ASN C C 13 178.164 0.038 . 1 . . . . 51 ASN C . 15577 1 616 . 1 1 51 51 ASN CA C 13 56.193 0.073 . 1 . . . . 51 ASN CA . 15577 1 617 . 1 1 51 51 ASN CB C 13 37.877 0.054 . 1 . . . . 51 ASN CB . 15577 1 618 . 1 1 51 51 ASN CG C 13 175.631 0.007 . 1 . . . . 51 ASN CG . 15577 1 619 . 1 1 51 51 ASN N N 15 117.261 0.136 . 1 . . . . 51 ASN N . 15577 1 620 . 1 1 51 51 ASN ND2 N 15 110.249 0.062 . 1 . . . . 51 ASN ND2 . 15577 1 621 . 1 1 52 52 ILE H H 1 7.848 0.018 . 1 . . . . 52 ILE H . 15577 1 622 . 1 1 52 52 ILE HA H 1 3.555 0.005 . 1 . . . . 52 ILE HA . 15577 1 623 . 1 1 52 52 ILE HB H 1 1.841 0.011 . 1 . . . . 52 ILE HB . 15577 1 624 . 1 1 52 52 ILE HD11 H 1 0.74 0.004 . 1 . . . . 52 ILE HD11 . 15577 1 625 . 1 1 52 52 ILE HD12 H 1 0.74 0.004 . 1 . . . . 52 ILE HD12 . 15577 1 626 . 1 1 52 52 ILE HD13 H 1 0.74 0.004 . 1 . . . . 52 ILE HD13 . 15577 1 627 . 1 1 52 52 ILE HG12 H 1 0.762 0.011 . 2 . . . . 52 ILE HG12 . 15577 1 628 . 1 1 52 52 ILE HG13 H 1 1.986 0.013 . 2 . . . . 52 ILE HG13 . 15577 1 629 . 1 1 52 52 ILE HG21 H 1 0.442 0.005 . 1 . . . . 52 ILE HG21 . 15577 1 630 . 1 1 52 52 ILE HG22 H 1 0.442 0.005 . 1 . . . . 52 ILE HG22 . 15577 1 631 . 1 1 52 52 ILE HG23 H 1 0.442 0.005 . 1 . . . . 52 ILE HG23 . 15577 1 632 . 1 1 52 52 ILE C C 13 177.614 0.024 . 1 . . . . 52 ILE C . 15577 1 633 . 1 1 52 52 ILE CA C 13 66.421 0.074 . 1 . . . . 52 ILE CA . 15577 1 634 . 1 1 52 52 ILE CB C 13 37.933 0.058 . 1 . . . . 52 ILE CB . 15577 1 635 . 1 1 52 52 ILE CD1 C 13 12.316 0.072 . 1 . . . . 52 ILE CD1 . 15577 1 636 . 1 1 52 52 ILE CG1 C 13 28.77 0.065 . 1 . . . . 52 ILE CG1 . 15577 1 637 . 1 1 52 52 ILE CG2 C 13 16.008 0.119 . 1 . . . . 52 ILE CG2 . 15577 1 638 . 1 1 52 52 ILE N N 15 118.125 0.1 . 1 . . . . 52 ILE N . 15577 1 639 . 1 1 53 53 LEU H H 1 8.292 0.013 . 1 . . . . 53 LEU H . 15577 1 640 . 1 1 53 53 LEU HA H 1 4.021 0.008 . 1 . . . . 53 LEU HA . 15577 1 641 . 1 1 53 53 LEU HB2 H 1 1.829 0.007 . 2 . . . . 53 LEU HB2 . 15577 1 642 . 1 1 53 53 LEU HB3 H 1 1.513 0.007 . 2 . . . . 53 LEU HB3 . 15577 1 643 . 1 1 53 53 LEU HD11 H 1 0.695 0.007 . 2 . . . . 53 LEU HD11 . 15577 1 644 . 1 1 53 53 LEU HD12 H 1 0.695 0.007 . 2 . . . . 53 LEU HD12 . 15577 1 645 . 1 1 53 53 LEU HD13 H 1 0.695 0.007 . 2 . . . . 53 LEU HD13 . 15577 1 646 . 1 1 53 53 LEU HD21 H 1 0.723 0.009 . 2 . . . . 53 LEU HD21 . 15577 1 647 . 1 1 53 53 LEU HD22 H 1 0.723 0.009 . 2 . . . . 53 LEU HD22 . 15577 1 648 . 1 1 53 53 LEU HD23 H 1 0.723 0.009 . 2 . . . . 53 LEU HD23 . 15577 1 649 . 1 1 53 53 LEU HG H 1 1.456 0.012 . 1 . . . . 53 LEU HG . 15577 1 650 . 1 1 53 53 LEU C C 13 176.591 0 . 1 . . . . 53 LEU C . 15577 1 651 . 1 1 53 53 LEU CA C 13 57.558 0.051 . 1 . . . . 53 LEU CA . 15577 1 652 . 1 1 53 53 LEU CB C 13 40.308 0.077 . 1 . . . . 53 LEU CB . 15577 1 653 . 1 1 53 53 LEU CD1 C 13 21.36 0.046 . 2 . . . . 53 LEU CD1 . 15577 1 654 . 1 1 53 53 LEU CD2 C 13 26.28 0.054 . 2 . . . . 53 LEU CD2 . 15577 1 655 . 1 1 53 53 LEU CG C 13 27.389 0.108 . 1 . . . . 53 LEU CG . 15577 1 656 . 1 1 53 53 LEU N N 15 117.115 0.151 . 1 . . . . 53 LEU N . 15577 1 657 . 1 1 54 54 GLN H H 1 8.009 0.014 . 1 . . . . 54 GLN H . 15577 1 658 . 1 1 54 54 GLN HA H 1 4.018 0.006 . 1 . . . . 54 GLN HA . 15577 1 659 . 1 1 54 54 GLN HB2 H 1 2.048 0.014 . 2 . . . . 54 GLN HB2 . 15577 1 660 . 1 1 54 54 GLN HB3 H 1 2.316 0.011 . 2 . . . . 54 GLN HB3 . 15577 1 661 . 1 1 54 54 GLN HE21 H 1 7.427 0.014 . 2 . . . . 54 GLN HE21 . 15577 1 662 . 1 1 54 54 GLN HE22 H 1 6.695 0.018 . 2 . . . . 54 GLN HE22 . 15577 1 663 . 1 1 54 54 GLN HG2 H 1 2.777 0.007 . 2 . . . . 54 GLN HG2 . 15577 1 664 . 1 1 54 54 GLN HG3 H 1 2.362 0.008 . 2 . . . . 54 GLN HG3 . 15577 1 665 . 1 1 54 54 GLN C C 13 177.335 0.041 . 1 . . . . 54 GLN C . 15577 1 666 . 1 1 54 54 GLN CA C 13 56.663 0.099 . 1 . . . . 54 GLN CA . 15577 1 667 . 1 1 54 54 GLN CB C 13 28.123 0.228 . 1 . . . . 54 GLN CB . 15577 1 668 . 1 1 54 54 GLN CD C 13 180.161 0.008 . 1 . . . . 54 GLN CD . 15577 1 669 . 1 1 54 54 GLN CG C 13 35.37 0.075 . 1 . . . . 54 GLN CG . 15577 1 670 . 1 1 54 54 GLN N N 15 114.12 0.121 . 1 . . . . 54 GLN N . 15577 1 671 . 1 1 54 54 GLN NE2 N 15 108.927 0.11 . 1 . . . . 54 GLN NE2 . 15577 1 672 . 1 1 55 55 THR H H 1 7.714 0.015 . 1 . . . . 55 THR H . 15577 1 673 . 1 1 55 55 THR HA H 1 4.368 0.015 . 1 . . . . 55 THR HA . 15577 1 674 . 1 1 55 55 THR HB H 1 4.009 0.002 . 1 . . . . 55 THR HB . 15577 1 675 . 1 1 55 55 THR HG21 H 1 1.302 0.005 . 2 . . . . 55 THR HG21 . 15577 1 676 . 1 1 55 55 THR HG22 H 1 1.302 0.005 . 2 . . . . 55 THR HG22 . 15577 1 677 . 1 1 55 55 THR HG23 H 1 1.302 0.005 . 2 . . . . 55 THR HG23 . 15577 1 678 . 1 1 55 55 THR C C 13 174.867 0 . 1 . . . . 55 THR C . 15577 1 679 . 1 1 55 55 THR CA C 13 62.205 0.032 . 1 . . . . 55 THR CA . 15577 1 680 . 1 1 55 55 THR CB C 13 68.834 0.119 . 1 . . . . 55 THR CB . 15577 1 681 . 1 1 55 55 THR CG2 C 13 22.57 0.056 . 1 . . . . 55 THR CG2 . 15577 1 682 . 1 1 55 55 THR N N 15 121.854 0.097 . 1 . . . . 55 THR N . 15577 1 683 . 1 1 56 56 PRO HA H 1 4.294 0.008 . 1 . . . . 56 PRO HA . 15577 1 684 . 1 1 56 56 PRO HB2 H 1 1.959 0.004 . 2 . . . . 56 PRO HB2 . 15577 1 685 . 1 1 56 56 PRO HB3 H 1 2.398 0.006 . 2 . . . . 56 PRO HB3 . 15577 1 686 . 1 1 56 56 PRO HG2 H 1 2.133 0.002 . 2 . . . . 56 PRO HG2 . 15577 1 687 . 1 1 56 56 PRO HG3 H 1 2.585 0.004 . 2 . . . . 56 PRO HG3 . 15577 1 688 . 1 1 56 56 PRO C C 13 178.135 0.026 . 1 . . . . 56 PRO C . 15577 1 689 . 1 1 56 56 PRO CA C 13 66.325 0.07 . 1 . . . . 56 PRO CA . 15577 1 690 . 1 1 56 56 PRO CB C 13 32.076 0.018 . 1 . . . . 56 PRO CB . 15577 1 691 . 1 1 56 56 PRO CG C 13 27.865 0.08 . 1 . . . . 56 PRO CG . 15577 1 692 . 1 1 57 57 GLN H H 1 8.809 0.018 . 1 . . . . 57 GLN H . 15577 1 693 . 1 1 57 57 GLN HA H 1 3.957 0.009 . 1 . . . . 57 GLN HA . 15577 1 694 . 1 1 57 57 GLN HB2 H 1 1.509 0.007 . 2 . . . . 57 GLN HB2 . 15577 1 695 . 1 1 57 57 GLN HB3 H 1 1.616 0.008 . 2 . . . . 57 GLN HB3 . 15577 1 696 . 1 1 57 57 GLN HE21 H 1 7.965 0.016 . 2 . . . . 57 GLN HE21 . 15577 1 697 . 1 1 57 57 GLN HE22 H 1 6.499 0.013 . 2 . . . . 57 GLN HE22 . 15577 1 698 . 1 1 57 57 GLN HG2 H 1 2.043 0.011 . 2 . . . . 57 GLN HG2 . 15577 1 699 . 1 1 57 57 GLN HG3 H 1 2.085 0.012 . 2 . . . . 57 GLN HG3 . 15577 1 700 . 1 1 57 57 GLN C C 13 175.529 0.03 . 1 . . . . 57 GLN C . 15577 1 701 . 1 1 57 57 GLN CA C 13 58.892 0.065 . 1 . . . . 57 GLN CA . 15577 1 702 . 1 1 57 57 GLN CB C 13 28.261 0.087 . 1 . . . . 57 GLN CB . 15577 1 703 . 1 1 57 57 GLN CD C 13 180.06 0.012 . 1 . . . . 57 GLN CD . 15577 1 704 . 1 1 57 57 GLN CG C 13 34.435 0.059 . 1 . . . . 57 GLN CG . 15577 1 705 . 1 1 57 57 GLN N N 15 114.908 0.122 . 1 . . . . 57 GLN N . 15577 1 706 . 1 1 57 57 GLN NE2 N 15 109.59 0.076 . 1 . . . . 57 GLN NE2 . 15577 1 707 . 1 1 58 58 PHE H H 1 8.219 0.011 . 1 . . . . 58 PHE H . 15577 1 708 . 1 1 58 58 PHE HA H 1 4.949 0.011 . 1 . . . . 58 PHE HA . 15577 1 709 . 1 1 58 58 PHE HB2 H 1 3.507 0.009 . 2 . . . . 58 PHE HB2 . 15577 1 710 . 1 1 58 58 PHE HB3 H 1 3.342 0.013 . 2 . . . . 58 PHE HB3 . 15577 1 711 . 1 1 58 58 PHE HD1 H 1 7.381 0.001 . 3 . . . . 58 PHE HD . 15577 1 712 . 1 1 58 58 PHE HD2 H 1 7.381 0.001 . 3 . . . . 58 PHE HD . 15577 1 713 . 1 1 58 58 PHE HE1 H 1 7.011 0.002 . 3 . . . . 58 PHE HE . 15577 1 714 . 1 1 58 58 PHE HE2 H 1 7.011 0.002 . 3 . . . . 58 PHE HE . 15577 1 715 . 1 1 58 58 PHE HZ H 1 6.978 0.007 . 1 . . . . 58 PHE HZ . 15577 1 716 . 1 1 58 58 PHE C C 13 176.82 0.045 . 1 . . . . 58 PHE C . 15577 1 717 . 1 1 58 58 PHE CA C 13 57.156 0.055 . 1 . . . . 58 PHE CA . 15577 1 718 . 1 1 58 58 PHE CB C 13 39.912 0.075 . 1 . . . . 58 PHE CB . 15577 1 719 . 1 1 58 58 PHE CD1 C 13 131.355 0.019 . 3 . . . . 58 PHE CD1 . 15577 1 720 . 1 1 58 58 PHE CE1 C 13 129.995 0.039 . 3 . . . . 58 PHE CE1 . 15577 1 721 . 1 1 58 58 PHE CZ C 13 128.336 0 . 1 . . . . 58 PHE CZ . 15577 1 722 . 1 1 58 58 PHE N N 15 113.467 0.157 . 1 . . . . 58 PHE N . 15577 1 723 . 1 1 59 59 THR H H 1 7.666 0.013 . 1 . . . . 59 THR H . 15577 1 724 . 1 1 59 59 THR HA H 1 4.269 0.022 . 1 . . . . 59 THR HA . 15577 1 725 . 1 1 59 59 THR HB H 1 4.284 0.009 . 1 . . . . 59 THR HB . 15577 1 726 . 1 1 59 59 THR HG21 H 1 1.224 0.012 . 2 . . . . 59 THR HG21 . 15577 1 727 . 1 1 59 59 THR HG22 H 1 1.224 0.012 . 2 . . . . 59 THR HG22 . 15577 1 728 . 1 1 59 59 THR HG23 H 1 1.224 0.012 . 2 . . . . 59 THR HG23 . 15577 1 729 . 1 1 59 59 THR C C 13 178.19 0.001 . 1 . . . . 59 THR C . 15577 1 730 . 1 1 59 59 THR CA C 13 66.264 0.084 . 1 . . . . 59 THR CA . 15577 1 731 . 1 1 59 59 THR CB C 13 68.979 0.207 . 1 . . . . 59 THR CB . 15577 1 732 . 1 1 59 59 THR N N 15 118.542 0.143 . 1 . . . . 59 THR N . 15577 1 733 . 1 1 60 60 LYS H H 1 8.264 0.018 . 1 . . . . 60 LYS H . 15577 1 734 . 1 1 60 60 LYS HA H 1 4.445 0.01 . 1 . . . . 60 LYS HA . 15577 1 735 . 1 1 60 60 LYS HB2 H 1 1.538 0.016 . 2 . . . . 60 LYS HB2 . 15577 1 736 . 1 1 60 60 LYS HB3 H 1 2.106 0.008 . 2 . . . . 60 LYS HB3 . 15577 1 737 . 1 1 60 60 LYS HD2 H 1 1.259 0.017 . 2 . . . . 60 LYS HD2 . 15577 1 738 . 1 1 60 60 LYS HD3 H 1 1.316 0.011 . 2 . . . . 60 LYS HD3 . 15577 1 739 . 1 1 60 60 LYS HE2 H 1 2.59 0.006 . 2 . . . . 60 LYS HE2 . 15577 1 740 . 1 1 60 60 LYS HE3 H 1 2.924 0.011 . 2 . . . . 60 LYS HE3 . 15577 1 741 . 1 1 60 60 LYS HG2 H 1 -0.424 0.011 . 2 . . . . 60 LYS HG2 . 15577 1 742 . 1 1 60 60 LYS HG3 H 1 0.587 0.009 . 2 . . . . 60 LYS HG3 . 15577 1 743 . 1 1 60 60 LYS C C 13 173.98 0 . 1 . . . . 60 LYS C . 15577 1 744 . 1 1 60 60 LYS CA C 13 57.084 0.1 . 1 . . . . 60 LYS CA . 15577 1 745 . 1 1 60 60 LYS CB C 13 31.515 0.097 . 1 . . . . 60 LYS CB . 15577 1 746 . 1 1 60 60 LYS CD C 13 29.298 0.066 . 1 . . . . 60 LYS CD . 15577 1 747 . 1 1 60 60 LYS CE C 13 41.54 0.053 . 1 . . . . 60 LYS CE . 15577 1 748 . 1 1 60 60 LYS CG C 13 20.831 0.085 . 1 . . . . 60 LYS CG . 15577 1 749 . 1 1 60 60 LYS N N 15 119.722 0.132 . 1 . . . . 60 LYS N . 15577 1 750 . 1 1 61 61 TYR H H 1 7.947 0.012 . 1 . . . . 61 TYR H . 15577 1 751 . 1 1 61 61 TYR HA H 1 5.709 0.012 . 1 . . . . 61 TYR HA . 15577 1 752 . 1 1 61 61 TYR HB2 H 1 3.934 0.014 . 2 . . . . 61 TYR HB2 . 15577 1 753 . 1 1 61 61 TYR HB3 H 1 3.284 0.009 . 2 . . . . 61 TYR HB3 . 15577 1 754 . 1 1 61 61 TYR HD1 H 1 7.233 0.008 . 3 . . . . 61 TYR HD1 . 15577 1 755 . 1 1 61 61 TYR HE1 H 1 7.125 0 . 3 . . . . 61 TYR HE . 15577 1 756 . 1 1 61 61 TYR HE2 H 1 7.125 0 . 3 . . . . 61 TYR HE . 15577 1 757 . 1 1 61 61 TYR C C 13 176.678 0.018 . 1 . . . . 61 TYR C . 15577 1 758 . 1 1 61 61 TYR CA C 13 56.195 0.075 . 1 . . . . 61 TYR CA . 15577 1 759 . 1 1 61 61 TYR CB C 13 39.097 0.061 . 1 . . . . 61 TYR CB . 15577 1 760 . 1 1 61 61 TYR CD1 C 13 133.29 0 . 3 . . . . 61 TYR CD1 . 15577 1 761 . 1 1 61 61 TYR N N 15 118.785 0.11 . 1 . . . . 61 TYR N . 15577 1 762 . 1 1 62 62 THR H H 1 8.104 0.02 . 1 . . . . 62 THR H . 15577 1 763 . 1 1 62 62 THR HA H 1 3.888 0.013 . 1 . . . . 62 THR HA . 15577 1 764 . 1 1 62 62 THR HB H 1 4.192 0.011 . 1 . . . . 62 THR HB . 15577 1 765 . 1 1 62 62 THR HG21 H 1 1.136 0.008 . 2 . . . . 62 THR HG21 . 15577 1 766 . 1 1 62 62 THR HG22 H 1 1.136 0.008 . 2 . . . . 62 THR HG22 . 15577 1 767 . 1 1 62 62 THR HG23 H 1 1.136 0.008 . 2 . . . . 62 THR HG23 . 15577 1 768 . 1 1 62 62 THR C C 13 175.771 0 . 1 . . . . 62 THR C . 15577 1 769 . 1 1 62 62 THR CA C 13 69.623 0.107 . 1 . . . . 62 THR CA . 15577 1 770 . 1 1 62 62 THR CB C 13 68.451 0.12 . 1 . . . . 62 THR CB . 15577 1 771 . 1 1 62 62 THR CG2 C 13 21.878 0.085 . 1 . . . . 62 THR CG2 . 15577 1 772 . 1 1 62 62 THR N N 15 119.285 0.123 . 1 . . . . 62 THR N . 15577 1 773 . 1 1 63 63 LEU H H 1 8.844 0.011 . 1 . . . . 63 LEU H . 15577 1 774 . 1 1 63 63 LEU HA H 1 3.881 0.008 . 1 . . . . 63 LEU HA . 15577 1 775 . 1 1 63 63 LEU HB2 H 1 1.398 0.008 . 2 . . . . 63 LEU HB2 . 15577 1 776 . 1 1 63 63 LEU HB3 H 1 1.93 0.007 . 2 . . . . 63 LEU HB3 . 15577 1 777 . 1 1 63 63 LEU HD11 H 1 0.782 0.008 . 2 . . . . 63 LEU HD11 . 15577 1 778 . 1 1 63 63 LEU HD12 H 1 0.782 0.008 . 2 . . . . 63 LEU HD12 . 15577 1 779 . 1 1 63 63 LEU HD13 H 1 0.782 0.008 . 2 . . . . 63 LEU HD13 . 15577 1 780 . 1 1 63 63 LEU HD21 H 1 0.651 0.006 . 2 . . . . 63 LEU HD21 . 15577 1 781 . 1 1 63 63 LEU HD22 H 1 0.651 0.006 . 2 . . . . 63 LEU HD22 . 15577 1 782 . 1 1 63 63 LEU HD23 H 1 0.651 0.006 . 2 . . . . 63 LEU HD23 . 15577 1 783 . 1 1 63 63 LEU HG H 1 1.53 0.008 . 1 . . . . 63 LEU HG . 15577 1 784 . 1 1 63 63 LEU C C 13 180.287 0 . 1 . . . . 63 LEU C . 15577 1 785 . 1 1 63 63 LEU CA C 13 58.827 0.093 . 1 . . . . 63 LEU CA . 15577 1 786 . 1 1 63 63 LEU CB C 13 41.835 0.064 . 1 . . . . 63 LEU CB . 15577 1 787 . 1 1 63 63 LEU CD1 C 13 23.908 0.042 . 2 . . . . 63 LEU CD1 . 15577 1 788 . 1 1 63 63 LEU CD2 C 13 24.566 0.044 . 2 . . . . 63 LEU CD2 . 15577 1 789 . 1 1 63 63 LEU CG C 13 26.393 0.092 . 1 . . . . 63 LEU CG . 15577 1 790 . 1 1 63 63 LEU N N 15 122.475 0.187 . 1 . . . . 63 LEU N . 15577 1 791 . 1 1 64 64 TRP H H 1 10.243 0.014 . 1 . . . . 64 TRP H . 15577 1 792 . 1 1 64 64 TRP HA H 1 4.064 0.015 . 1 . . . . 64 TRP HA . 15577 1 793 . 1 1 64 64 TRP HB2 H 1 3.455 0.013 . 2 . . . . 64 TRP HB2 . 15577 1 794 . 1 1 64 64 TRP HB3 H 1 3.044 0.009 . 2 . . . . 64 TRP HB3 . 15577 1 795 . 1 1 64 64 TRP HD1 H 1 6.557 0.008 . 1 . . . . 64 TRP HD1 . 15577 1 796 . 1 1 64 64 TRP HE1 H 1 10.298 0.013 . 1 . . . . 64 TRP HE1 . 15577 1 797 . 1 1 64 64 TRP HE3 H 1 8.053 0.004 . 1 . . . . 64 TRP HE3 . 15577 1 798 . 1 1 64 64 TRP HH2 H 1 7.107 0.002 . 1 . . . . 64 TRP HH2 . 15577 1 799 . 1 1 64 64 TRP HZ2 H 1 7.424 0.01 . 1 . . . . 64 TRP HZ2 . 15577 1 800 . 1 1 64 64 TRP HZ3 H 1 7.117 0.003 . 1 . . . . 64 TRP HZ3 . 15577 1 801 . 1 1 64 64 TRP C C 13 178.647 0.047 . 1 . . . . 64 TRP C . 15577 1 802 . 1 1 64 64 TRP CA C 13 62.065 0.064 . 1 . . . . 64 TRP CA . 15577 1 803 . 1 1 64 64 TRP CB C 13 27.569 0.079 . 1 . . . . 64 TRP CB . 15577 1 804 . 1 1 64 64 TRP CD1 C 13 126.36 0.006 . 1 . . . . 64 TRP CD1 . 15577 1 805 . 1 1 64 64 TRP CE3 C 13 121.065 0.058 . 1 . . . . 64 TRP CE3 . 15577 1 806 . 1 1 64 64 TRP CH2 C 13 124.242 0.035 . 1 . . . . 64 TRP CH2 . 15577 1 807 . 1 1 64 64 TRP CZ2 C 13 114.49 0.024 . 1 . . . . 64 TRP CZ2 . 15577 1 808 . 1 1 64 64 TRP CZ3 C 13 120.978 0.024 . 1 . . . . 64 TRP CZ3 . 15577 1 809 . 1 1 64 64 TRP N N 15 128.008 0.112 . 1 . . . . 64 TRP N . 15577 1 810 . 1 1 64 64 TRP NE1 N 15 130.653 0.107 . 1 . . . . 64 TRP NE1 . 15577 1 811 . 1 1 65 65 PHE H H 1 9.673 0.013 . 1 . . . . 65 PHE H . 15577 1 812 . 1 1 65 65 PHE HA H 1 2.819 0.011 . 1 . . . . 65 PHE HA . 15577 1 813 . 1 1 65 65 PHE HB2 H 1 3.215 0.007 . 2 . . . . 65 PHE HB2 . 15577 1 814 . 1 1 65 65 PHE HB3 H 1 3.495 0.011 . 2 . . . . 65 PHE HB3 . 15577 1 815 . 1 1 65 65 PHE HD1 H 1 7.144 0.008 . 3 . . . . 65 PHE HD1 . 15577 1 816 . 1 1 65 65 PHE HD2 H 1 7.129 0.006 . 3 . . . . 65 PHE HD2 . 15577 1 817 . 1 1 65 65 PHE HE1 H 1 7.299 0.018 . 3 . . . . 65 PHE HE1 . 15577 1 818 . 1 1 65 65 PHE HE2 H 1 7.43 0.009 . 3 . . . . 65 PHE HE2 . 15577 1 819 . 1 1 65 65 PHE HZ H 1 7.256 0.002 . 1 . . . . 65 PHE HZ . 15577 1 820 . 1 1 65 65 PHE C C 13 177.587 0.014 . 1 . . . . 65 PHE C . 15577 1 821 . 1 1 65 65 PHE CA C 13 62.579 0.106 . 1 . . . . 65 PHE CA . 15577 1 822 . 1 1 65 65 PHE CB C 13 40.004 0.067 . 1 . . . . 65 PHE CB . 15577 1 823 . 1 1 65 65 PHE CD1 C 13 132.285 0.049 . 3 . . . . 65 PHE CD1 . 15577 1 824 . 1 1 65 65 PHE CD2 C 13 131.03 0.041 . 3 . . . . 65 PHE CD2 . 15577 1 825 . 1 1 65 65 PHE CE1 C 13 131.87 0.062 . 3 . . . . 65 PHE CE1 . 15577 1 826 . 1 1 65 65 PHE CE2 C 13 131.837 0.025 . 3 . . . . 65 PHE CE2 . 15577 1 827 . 1 1 65 65 PHE CZ C 13 129.637 0.001 . 1 . . . . 65 PHE CZ . 15577 1 828 . 1 1 65 65 PHE N N 15 121.41 0.183 . 1 . . . . 65 PHE N . 15577 1 829 . 1 1 66 66 MET H H 1 8.208 0.017 . 1 . . . . 66 MET H . 15577 1 830 . 1 1 66 66 MET HA H 1 4.715 0.04 . 1 . . . . 66 MET HA . 15577 1 831 . 1 1 66 66 MET HB2 H 1 2.072 0.016 . 2 . . . . 66 MET HB2 . 15577 1 832 . 1 1 66 66 MET HB3 H 1 2.151 0.007 . 2 . . . . 66 MET HB3 . 15577 1 833 . 1 1 66 66 MET HE1 H 1 1.412 0.002 . 2 . . . . 66 MET HE . 15577 1 834 . 1 1 66 66 MET HE2 H 1 1.412 0.002 . 2 . . . . 66 MET HE . 15577 1 835 . 1 1 66 66 MET HE3 H 1 1.412 0.002 . 2 . . . . 66 MET HE . 15577 1 836 . 1 1 66 66 MET C C 13 178.029 0.05 . 1 . . . . 66 MET C . 15577 1 837 . 1 1 66 66 MET CA C 13 55.257 0.058 . 1 . . . . 66 MET CA . 15577 1 838 . 1 1 66 66 MET CB C 13 32.31 0.04 . 1 . . . . 66 MET CB . 15577 1 839 . 1 1 66 66 MET CE C 13 21.031 0.03 . 1 . . . . 66 MET CE . 15577 1 840 . 1 1 66 66 MET N N 15 109.176 0.155 . 1 . . . . 66 MET N . 15577 1 841 . 1 1 67 67 THR H H 1 8.23 0.012 . 1 . . . . 67 THR H . 15577 1 842 . 1 1 67 67 THR HA H 1 4.616 0.02 . 1 . . . . 67 THR HA . 15577 1 843 . 1 1 67 67 THR HB H 1 4.367 0.021 . 1 . . . . 67 THR HB . 15577 1 844 . 1 1 67 67 THR HG21 H 1 1.124 0.015 . 2 . . . . 67 THR HG21 . 15577 1 845 . 1 1 67 67 THR HG22 H 1 1.124 0.015 . 2 . . . . 67 THR HG22 . 15577 1 846 . 1 1 67 67 THR HG23 H 1 1.124 0.015 . 2 . . . . 67 THR HG23 . 15577 1 847 . 1 1 67 67 THR C C 13 174.345 0 . 1 . . . . 67 THR C . 15577 1 848 . 1 1 67 67 THR CA C 13 61.833 0.127 . 1 . . . . 67 THR CA . 15577 1 849 . 1 1 67 67 THR CB C 13 72.469 0.092 . 1 . . . . 67 THR CB . 15577 1 850 . 1 1 67 67 THR CG2 C 13 21.644 0.024 . 1 . . . . 67 THR CG2 . 15577 1 851 . 1 1 67 67 THR N N 15 105.014 0.145 . 1 . . . . 67 THR N . 15577 1 852 . 1 1 68 68 ASN H H 1 8.213 0.011 . 1 . . . . 68 ASN H . 15577 1 853 . 1 1 68 68 ASN HA H 1 4.165 0.005 . 1 . . . . 68 ASN HA . 15577 1 854 . 1 1 68 68 ASN HB2 H 1 3.086 0.013 . 2 . . . . 68 ASN HB2 . 15577 1 855 . 1 1 68 68 ASN HB3 H 1 3.134 0.007 . 2 . . . . 68 ASN HB3 . 15577 1 856 . 1 1 68 68 ASN HD21 H 1 7.697 0.024 . 2 . . . . 68 ASN HD21 . 15577 1 857 . 1 1 68 68 ASN HD22 H 1 7.022 0.023 . 2 . . . . 68 ASN HD22 . 15577 1 858 . 1 1 68 68 ASN C C 13 172.649 0 . 1 . . . . 68 ASN C . 15577 1 859 . 1 1 68 68 ASN CA C 13 55.398 0.059 . 1 . . . . 68 ASN CA . 15577 1 860 . 1 1 68 68 ASN CB C 13 38.211 0.079 . 1 . . . . 68 ASN CB . 15577 1 861 . 1 1 68 68 ASN N N 15 116.57 0.189 . 1 . . . . 68 ASN N . 15577 1 862 . 1 1 68 68 ASN ND2 N 15 116.2 0.171 . 1 . . . . 68 ASN ND2 . 15577 1 863 . 1 1 69 69 GLN H H 1 7.389 0.014 . 1 . . . . 69 GLN H . 15577 1 864 . 1 1 69 69 GLN HA H 1 4.79 0.011 . 1 . . . . 69 GLN HA . 15577 1 865 . 1 1 69 69 GLN HB2 H 1 1.745 0.008 . 2 . . . . 69 GLN HB2 . 15577 1 866 . 1 1 69 69 GLN HB3 H 1 2.159 0.007 . 2 . . . . 69 GLN HB3 . 15577 1 867 . 1 1 69 69 GLN HE21 H 1 6.798 0.013 . 2 . . . . 69 GLN HE21 . 15577 1 868 . 1 1 69 69 GLN HE22 H 1 7.39 0.013 . 2 . . . . 69 GLN HE22 . 15577 1 869 . 1 1 69 69 GLN HG2 H 1 2.358 0.007 . 2 . . . . 69 GLN HG2 . 15577 1 870 . 1 1 69 69 GLN HG3 H 1 2.654 0.009 . 2 . . . . 69 GLN HG3 . 15577 1 871 . 1 1 69 69 GLN C C 13 173.092 0.024 . 1 . . . . 69 GLN C . 15577 1 872 . 1 1 69 69 GLN CA C 13 54.626 0.086 . 1 . . . . 69 GLN CA . 15577 1 873 . 1 1 69 69 GLN CB C 13 31.433 0.124 . 1 . . . . 69 GLN CB . 15577 1 874 . 1 1 69 69 GLN CD C 13 180.642 0.021 . 1 . . . . 69 GLN CD . 15577 1 875 . 1 1 69 69 GLN CG C 13 33.672 0.109 . 1 . . . . 69 GLN CG . 15577 1 876 . 1 1 69 69 GLN N N 15 117.711 0.177 . 1 . . . . 69 GLN N . 15577 1 877 . 1 1 69 69 GLN NE2 N 15 110.208 0.073 . 1 . . . . 69 GLN NE2 . 15577 1 878 . 1 1 70 70 ILE H H 1 7.988 0.025 . 1 . . . . 70 ILE H . 15577 1 879 . 1 1 70 70 ILE HA H 1 4.565 0.01 . 1 . . . . 70 ILE HA . 15577 1 880 . 1 1 70 70 ILE HB H 1 2.098 0.011 . 1 . . . . 70 ILE HB . 15577 1 881 . 1 1 70 70 ILE HD11 H 1 0.904 0.007 . 2 . . . . 70 ILE HD11 . 15577 1 882 . 1 1 70 70 ILE HD12 H 1 0.904 0.007 . 2 . . . . 70 ILE HD12 . 15577 1 883 . 1 1 70 70 ILE HD13 H 1 0.904 0.007 . 2 . . . . 70 ILE HD13 . 15577 1 884 . 1 1 70 70 ILE HG12 H 1 1.178 0.012 . 2 . . . . 70 ILE HG12 . 15577 1 885 . 1 1 70 70 ILE HG13 H 1 1.351 0.009 . 2 . . . . 70 ILE HG13 . 15577 1 886 . 1 1 70 70 ILE HG21 H 1 0.746 0.012 . 1 . . . . 70 ILE HG21 . 15577 1 887 . 1 1 70 70 ILE HG22 H 1 0.746 0.012 . 1 . . . . 70 ILE HG22 . 15577 1 888 . 1 1 70 70 ILE HG23 H 1 0.746 0.012 . 1 . . . . 70 ILE HG23 . 15577 1 889 . 1 1 70 70 ILE C C 13 175.702 0.01 . 1 . . . . 70 ILE C . 15577 1 890 . 1 1 70 70 ILE CA C 13 59.765 0.096 . 1 . . . . 70 ILE CA . 15577 1 891 . 1 1 70 70 ILE CB C 13 42.404 0.084 . 1 . . . . 70 ILE CB . 15577 1 892 . 1 1 70 70 ILE CD1 C 13 14.216 0.073 . 1 . . . . 70 ILE CD1 . 15577 1 893 . 1 1 70 70 ILE CG1 C 13 24.869 0.051 . 1 . . . . 70 ILE CG1 . 15577 1 894 . 1 1 70 70 ILE CG2 C 13 18.606 0.055 . 1 . . . . 70 ILE CG2 . 15577 1 895 . 1 1 70 70 ILE N N 15 106.774 0.177 . 1 . . . . 70 ILE N . 15577 1 896 . 1 1 71 71 ALA H H 1 8.626 0.011 . 1 . . . . 71 ALA H . 15577 1 897 . 1 1 71 71 ALA HA H 1 4.897 0.01 . 1 . . . . 71 ALA HA . 15577 1 898 . 1 1 71 71 ALA HB1 H 1 1.33 0.008 . 1 . . . . 71 ALA HB1 . 15577 1 899 . 1 1 71 71 ALA HB2 H 1 1.33 0.008 . 1 . . . . 71 ALA HB2 . 15577 1 900 . 1 1 71 71 ALA HB3 H 1 1.33 0.008 . 1 . . . . 71 ALA HB3 . 15577 1 901 . 1 1 71 71 ALA CA C 13 50.887 0.116 . 1 . . . . 71 ALA CA . 15577 1 902 . 1 1 71 71 ALA CB C 13 18.091 0.045 . 1 . . . . 71 ALA CB . 15577 1 903 . 1 1 71 71 ALA N N 15 119.372 0.153 . 1 . . . . 71 ALA N . 15577 1 904 . 1 1 72 72 PRO HA H 1 3.952 0.006 . 1 . . . . 72 PRO HA . 15577 1 905 . 1 1 72 72 PRO HB2 H 1 2.063 0.005 . 2 . . . . 72 PRO HB2 . 15577 1 906 . 1 1 72 72 PRO HB3 H 1 2.375 0.01 . 2 . . . . 72 PRO HB3 . 15577 1 907 . 1 1 72 72 PRO HD2 H 1 3.96 0.004 . 2 . . . . 72 PRO HD2 . 15577 1 908 . 1 1 72 72 PRO HD3 H 1 3.543 0.007 . 2 . . . . 72 PRO HD3 . 15577 1 909 . 1 1 72 72 PRO HG2 H 1 2.06 0.006 . 2 . . . . 72 PRO HG2 . 15577 1 910 . 1 1 72 72 PRO HG3 H 1 2.23 0.013 . 2 . . . . 72 PRO HG3 . 15577 1 911 . 1 1 72 72 PRO C C 13 179.312 0.031 . 1 . . . . 72 PRO C . 15577 1 912 . 1 1 72 72 PRO CA C 13 65.825 0.079 . 1 . . . . 72 PRO CA . 15577 1 913 . 1 1 72 72 PRO CB C 13 31.914 0.08 . 1 . . . . 72 PRO CB . 15577 1 914 . 1 1 72 72 PRO CD C 13 50.373 0.083 . 1 . . . . 72 PRO CD . 15577 1 915 . 1 1 72 72 PRO CG C 13 27.835 0.07 . 1 . . . . 72 PRO CG . 15577 1 916 . 1 1 73 73 GLU H H 1 9.867 0.009 . 1 . . . . 73 GLU H . 15577 1 917 . 1 1 73 73 GLU HA H 1 4.245 0.017 . 1 . . . . 73 GLU HA . 15577 1 918 . 1 1 73 73 GLU HB2 H 1 2.012 0.011 . 2 . . . . 73 GLU HB2 . 15577 1 919 . 1 1 73 73 GLU HB3 H 1 2.129 0.005 . 2 . . . . 73 GLU HB3 . 15577 1 920 . 1 1 73 73 GLU C C 13 177.423 0.02 . 1 . . . . 73 GLU C . 15577 1 921 . 1 1 73 73 GLU CA C 13 59.143 0.08 . 1 . . . . 73 GLU CA . 15577 1 922 . 1 1 73 73 GLU CB C 13 27.832 0.069 . 1 . . . . 73 GLU CB . 15577 1 923 . 1 1 73 73 GLU N N 15 120.482 0.123 . 1 . . . . 73 GLU N . 15577 1 924 . 1 1 74 74 SER H H 1 7.84 0.012 . 1 . . . . 74 SER H . 15577 1 925 . 1 1 74 74 SER HA H 1 4.827 0.009 . 1 . . . . 74 SER HA . 15577 1 926 . 1 1 74 74 SER HB2 H 1 3.542 0.014 . 2 . . . . 74 SER HB2 . 15577 1 927 . 1 1 74 74 SER HB3 H 1 4.184 0.014 . 2 . . . . 74 SER HB3 . 15577 1 928 . 1 1 74 74 SER C C 13 174.22 0 . 1 . . . . 74 SER C . 15577 1 929 . 1 1 74 74 SER CA C 13 57.487 0.065 . 1 . . . . 74 SER CA . 15577 1 930 . 1 1 74 74 SER CB C 13 63.778 0.094 . 1 . . . . 74 SER CB . 15577 1 931 . 1 1 74 74 SER N N 15 114.506 0.11 . 1 . . . . 74 SER N . 15577 1 932 . 1 1 75 75 GLY H H 1 7.949 0.014 . 1 . . . . 75 GLY H . 15577 1 933 . 1 1 75 75 GLY HA2 H 1 3.689 0.008 . 2 . . . . 75 GLY HA2 . 15577 1 934 . 1 1 75 75 GLY HA3 H 1 4.131 0.006 . 2 . . . . 75 GLY HA3 . 15577 1 935 . 1 1 75 75 GLY C C 13 173.431 0.025 . 1 . . . . 75 GLY C . 15577 1 936 . 1 1 75 75 GLY CA C 13 45.616 0.06 . 1 . . . . 75 GLY CA . 15577 1 937 . 1 1 75 75 GLY N N 15 108.689 0.15 . 1 . . . . 75 GLY N . 15577 1 938 . 1 1 76 76 GLN H H 1 7.154 0.012 . 1 . . . . 76 GLN H . 15577 1 939 . 1 1 76 76 GLN HA H 1 5.075 0.007 . 1 . . . . 76 GLN HA . 15577 1 940 . 1 1 76 76 GLN HB2 H 1 1.786 0.007 . 2 . . . . 76 GLN HB2 . 15577 1 941 . 1 1 76 76 GLN HB3 H 1 2.431 0.003 . 2 . . . . 76 GLN HB3 . 15577 1 942 . 1 1 76 76 GLN HE21 H 1 7.2 0.015 . 2 . . . . 76 GLN HE21 . 15577 1 943 . 1 1 76 76 GLN HE22 H 1 7.778 0.048 . 2 . . . . 76 GLN HE22 . 15577 1 944 . 1 1 76 76 GLN C C 13 175.479 0.03 . 1 . . . . 76 GLN C . 15577 1 945 . 1 1 76 76 GLN CA C 13 53.572 0.079 . 1 . . . . 76 GLN CA . 15577 1 946 . 1 1 76 76 GLN CB C 13 28.703 0.085 . 1 . . . . 76 GLN CB . 15577 1 947 . 1 1 76 76 GLN CG C 13 31.091 0.009 . 1 . . . . 76 GLN CG . 15577 1 948 . 1 1 76 76 GLN N N 15 119.202 0.145 . 1 . . . . 76 GLN N . 15577 1 949 . 1 1 76 76 GLN NE2 N 15 115.567 0.043 . 1 . . . . 76 GLN NE2 . 15577 1 950 . 1 1 77 77 ILE H H 1 8.448 0.012 . 1 . . . . 77 ILE H . 15577 1 951 . 1 1 77 77 ILE HA H 1 4.666 0.013 . 1 . . . . 77 ILE HA . 15577 1 952 . 1 1 77 77 ILE HB H 1 2.088 0.007 . 1 . . . . 77 ILE HB . 15577 1 953 . 1 1 77 77 ILE HD11 H 1 0.767 0.009 . 1 . . . . 77 ILE HD1 . 15577 1 954 . 1 1 77 77 ILE HD12 H 1 0.767 0.009 . 1 . . . . 77 ILE HD1 . 15577 1 955 . 1 1 77 77 ILE HD13 H 1 0.767 0.009 . 1 . . . . 77 ILE HD1 . 15577 1 956 . 1 1 77 77 ILE HG12 H 1 0.606 0.005 . 1 . . . . 77 ILE HG1 . 15577 1 957 . 1 1 77 77 ILE HG13 H 1 0.606 0.005 . 1 . . . . 77 ILE HG1 . 15577 1 958 . 1 1 77 77 ILE HG21 H 1 0.776 0.007 . 1 . . . . 77 ILE HG2 . 15577 1 959 . 1 1 77 77 ILE HG22 H 1 0.776 0.007 . 1 . . . . 77 ILE HG2 . 15577 1 960 . 1 1 77 77 ILE HG23 H 1 0.776 0.007 . 1 . . . . 77 ILE HG2 . 15577 1 961 . 1 1 77 77 ILE C C 13 174.083 0.022 . 1 . . . . 77 ILE C . 15577 1 962 . 1 1 77 77 ILE CA C 13 59.357 0.067 . 1 . . . . 77 ILE CA . 15577 1 963 . 1 1 77 77 ILE CB C 13 42.354 0.104 . 1 . . . . 77 ILE CB . 15577 1 964 . 1 1 77 77 ILE CD1 C 13 14.339 0.067 . 1 . . . . 77 ILE CD1 . 15577 1 965 . 1 1 77 77 ILE CG1 C 13 25.084 0.038 . 1 . . . . 77 ILE CG1 . 15577 1 966 . 1 1 77 77 ILE CG2 C 13 17.892 0.04 . 1 . . . . 77 ILE CG2 . 15577 1 967 . 1 1 77 77 ILE N N 15 118.07 0.083 . 1 . . . . 77 ILE N . 15577 1 968 . 1 1 78 78 ALA H H 1 8.046 0.019 . 1 . . . . 78 ALA H . 15577 1 969 . 1 1 78 78 ALA HA H 1 4.175 0.01 . 1 . . . . 78 ALA HA . 15577 1 970 . 1 1 78 78 ALA HB1 H 1 0.489 0.009 . 1 . . . . 78 ALA HB1 . 15577 1 971 . 1 1 78 78 ALA HB2 H 1 0.489 0.009 . 1 . . . . 78 ALA HB2 . 15577 1 972 . 1 1 78 78 ALA HB3 H 1 0.489 0.009 . 1 . . . . 78 ALA HB3 . 15577 1 973 . 1 1 78 78 ALA C C 13 175.905 0 . 1 . . . . 78 ALA C . 15577 1 974 . 1 1 78 78 ALA CA C 13 47.7 0.074 . 1 . . . . 78 ALA CA . 15577 1 975 . 1 1 78 78 ALA CB C 13 18.34 0.053 . 1 . . . . 78 ALA CB . 15577 1 976 . 1 1 78 78 ALA N N 15 120.733 0.134 . 1 . . . . 78 ALA N . 15577 1 977 . 1 1 79 79 PRO HA H 1 4.101 0.015 . 1 . . . . 79 PRO HA . 15577 1 978 . 1 1 79 79 PRO HB2 H 1 1.199 0.015 . 2 . . . . 79 PRO HB2 . 15577 1 979 . 1 1 79 79 PRO HB3 H 1 1.504 0.008 . 2 . . . . 79 PRO HB3 . 15577 1 980 . 1 1 79 79 PRO HD2 H 1 1.044 0.015 . 2 . . . . 79 PRO HD2 . 15577 1 981 . 1 1 79 79 PRO HD3 H 1 1.99 0.012 . 2 . . . . 79 PRO HD3 . 15577 1 982 . 1 1 79 79 PRO HG2 H 1 0.827 0.006 . 2 . . . . 79 PRO HG2 . 15577 1 983 . 1 1 79 79 PRO HG3 H 1 0.3 0.006 . 2 . . . . 79 PRO HG3 . 15577 1 984 . 1 1 79 79 PRO C C 13 178.274 0.004 . 1 . . . . 79 PRO C . 15577 1 985 . 1 1 79 79 PRO CA C 13 62.394 0.115 . 1 . . . . 79 PRO CA . 15577 1 986 . 1 1 79 79 PRO CB C 13 30.908 0.052 . 1 . . . . 79 PRO CB . 15577 1 987 . 1 1 79 79 PRO CD C 13 48.328 0.056 . 1 . . . . 79 PRO CD . 15577 1 988 . 1 1 79 79 PRO CG C 13 27.843 0.045 . 1 . . . . 79 PRO CG . 15577 1 989 . 1 1 80 80 ALA H H 1 9.217 0.045 . 1 . . . . 80 ALA H . 15577 1 990 . 1 1 80 80 ALA HA H 1 4.001 0.01 . 1 . . . . 80 ALA HA . 15577 1 991 . 1 1 80 80 ALA HB1 H 1 1.462 0.006 . 1 . . . . 80 ALA HB1 . 15577 1 992 . 1 1 80 80 ALA HB2 H 1 1.462 0.006 . 1 . . . . 80 ALA HB2 . 15577 1 993 . 1 1 80 80 ALA HB3 H 1 1.462 0.006 . 1 . . . . 80 ALA HB3 . 15577 1 994 . 1 1 80 80 ALA C C 13 179.305 0.004 . 1 . . . . 80 ALA C . 15577 1 995 . 1 1 80 80 ALA CA C 13 55.207 0.053 . 1 . . . . 80 ALA CA . 15577 1 996 . 1 1 80 80 ALA CB C 13 18.664 0.059 . 1 . . . . 80 ALA CB . 15577 1 997 . 1 1 80 80 ALA N N 15 128.347 0.098 . 1 . . . . 80 ALA N . 15577 1 998 . 1 1 81 81 LEU H H 1 7.48 0.017 . 1 . . . . 81 LEU H . 15577 1 999 . 1 1 81 81 LEU HA H 1 4.013 0.04 . 1 . . . . 81 LEU HA . 15577 1 1000 . 1 1 81 81 LEU HB2 H 1 1.285 0.008 . 2 . . . . 81 LEU HB2 . 15577 1 1001 . 1 1 81 81 LEU HB3 H 1 1.561 0.01 . 2 . . . . 81 LEU HB3 . 15577 1 1002 . 1 1 81 81 LEU HD11 H 1 0.847 0.004 . 2 . . . . 81 LEU HD11 . 15577 1 1003 . 1 1 81 81 LEU HD12 H 1 0.847 0.004 . 2 . . . . 81 LEU HD12 . 15577 1 1004 . 1 1 81 81 LEU HD13 H 1 0.847 0.004 . 2 . . . . 81 LEU HD13 . 15577 1 1005 . 1 1 81 81 LEU HD21 H 1 0.822 0.005 . 2 . . . . 81 LEU HD21 . 15577 1 1006 . 1 1 81 81 LEU HD22 H 1 0.822 0.005 . 2 . . . . 81 LEU HD22 . 15577 1 1007 . 1 1 81 81 LEU HD23 H 1 0.822 0.005 . 2 . . . . 81 LEU HD23 . 15577 1 1008 . 1 1 81 81 LEU HG H 1 1.64 0.007 . 1 . . . . 81 LEU HG . 15577 1 1009 . 1 1 81 81 LEU C C 13 176.756 0 . 1 . . . . 81 LEU C . 15577 1 1010 . 1 1 81 81 LEU CA C 13 55.432 0.108 . 1 . . . . 81 LEU CA . 15577 1 1011 . 1 1 81 81 LEU CB C 13 42.074 0.098 . 1 . . . . 81 LEU CB . 15577 1 1012 . 1 1 81 81 LEU CD1 C 13 22.402 0.066 . 2 . . . . 81 LEU CD1 . 15577 1 1013 . 1 1 81 81 LEU CD2 C 13 25.416 0.024 . 2 . . . . 81 LEU CD2 . 15577 1 1014 . 1 1 81 81 LEU CG C 13 27.187 0.05 . 1 . . . . 81 LEU CG . 15577 1 1015 . 1 1 81 81 LEU N N 15 112.781 0.281 . 1 . . . . 81 LEU N . 15577 1 1016 . 1 1 82 82 ALA H H 1 7.671 0.013 . 1 . . . . 82 ALA H . 15577 1 1017 . 1 1 82 82 ALA HA H 1 4.192 0.005 . 1 . . . . 82 ALA HA . 15577 1 1018 . 1 1 82 82 ALA HB1 H 1 1.268 0.018 . 1 . . . . 82 ALA HB1 . 15577 1 1019 . 1 1 82 82 ALA HB2 H 1 1.268 0.018 . 1 . . . . 82 ALA HB2 . 15577 1 1020 . 1 1 82 82 ALA HB3 H 1 1.268 0.018 . 1 . . . . 82 ALA HB3 . 15577 1 1021 . 1 1 82 82 ALA C C 13 176.689 0.066 . 1 . . . . 82 ALA C . 15577 1 1022 . 1 1 82 82 ALA CA C 13 52.406 0.078 . 1 . . . . 82 ALA CA . 15577 1 1023 . 1 1 82 82 ALA CB C 13 18.944 0.048 . 1 . . . . 82 ALA CB . 15577 1 1024 . 1 1 82 82 ALA N N 15 119.154 0.41 . 1 . . . . 82 ALA N . 15577 1 1025 . 1 1 83 83 HIS H H 1 7.799 0.021 . 1 . . . . 83 HIS H . 15577 1 1026 . 1 1 83 83 HIS HA H 1 4.457 0.01 . 1 . . . . 83 HIS HA . 15577 1 1027 . 1 1 83 83 HIS HB2 H 1 3.202 0.006 . 2 . . . . 83 HIS HB2 . 15577 1 1028 . 1 1 83 83 HIS HB3 H 1 3.116 0 . 2 . . . . 83 HIS HB3 . 15577 1 1029 . 1 1 83 83 HIS HD2 H 1 7.15 0.001 . 1 . . . . 83 HIS HD2 . 15577 1 1030 . 1 1 83 83 HIS HE1 H 1 8.377 0 . 1 . . . . 83 HIS HE1 . 15577 1 1031 . 1 1 83 83 HIS C C 13 174.377 0 . 1 . . . . 83 HIS C . 15577 1 1032 . 1 1 83 83 HIS CA C 13 55.749 0.078 . 1 . . . . 83 HIS CA . 15577 1 1033 . 1 1 83 83 HIS CB C 13 27.923 0.127 . 1 . . . . 83 HIS CB . 15577 1 1034 . 1 1 83 83 HIS CD2 C 13 120.086 0.017 . 1 . . . . 83 HIS CD2 . 15577 1 1035 . 1 1 83 83 HIS CE1 C 13 136.745 0 . 1 . . . . 83 HIS CE1 . 15577 1 1036 . 1 1 83 83 HIS N N 15 115.768 0.295 . 1 . . . . 83 HIS N . 15577 1 1037 . 1 1 84 84 PHE H H 1 8.614 0.03 . 1 . . . . 84 PHE H . 15577 1 1038 . 1 1 84 84 PHE HA H 1 4.463 0.014 . 1 . . . . 84 PHE HA . 15577 1 1039 . 1 1 84 84 PHE HB2 H 1 2.974 0.034 . 2 . . . . 84 PHE HB2 . 15577 1 1040 . 1 1 84 84 PHE HB3 H 1 2.842 0.029 . 2 . . . . 84 PHE HB3 . 15577 1 1041 . 1 1 84 84 PHE CA C 13 58.982 0.084 . 1 . . . . 84 PHE CA . 15577 1 1042 . 1 1 84 84 PHE CB C 13 40.42 0.054 . 1 . . . . 84 PHE CB . 15577 1 1043 . 1 1 84 84 PHE N N 15 121.523 0.067 . 1 . . . . 84 PHE N . 15577 1 1044 . 1 1 85 85 GLY H H 1 8.351 0.015 . 1 . . . . 85 GLY H . 15577 1 1045 . 1 1 85 85 GLY HA2 H 1 3.931 0.009 . 2 . . . . 85 GLY HA2 . 15577 1 1046 . 1 1 85 85 GLY HA3 H 1 3.747 0.006 . 2 . . . . 85 GLY HA3 . 15577 1 1047 . 1 1 85 85 GLY C C 13 173.866 0.008 . 1 . . . . 85 GLY C . 15577 1 1048 . 1 1 85 85 GLY CA C 13 45.278 0.05 . 1 . . . . 85 GLY CA . 15577 1 1049 . 1 1 85 85 GLY N N 15 113.347 0.048 . 1 . . . . 85 GLY N . 15577 1 1050 . 1 1 86 86 GLN H H 1 8.082 0.055 . 1 . . . . 86 GLN H . 15577 1 1051 . 1 1 86 86 GLN HA H 1 4.388 0.008 . 1 . . . . 86 GLN HA . 15577 1 1052 . 1 1 86 86 GLN HB2 H 1 2 0.008 . 2 . . . . 86 GLN HB2 . 15577 1 1053 . 1 1 86 86 GLN HB3 H 1 2.144 0.008 . 2 . . . . 86 GLN HB3 . 15577 1 1054 . 1 1 86 86 GLN HE21 H 1 6.834 0.027 . 2 . . . . 86 GLN HE21 . 15577 1 1055 . 1 1 86 86 GLN HE22 H 1 7.515 0.02 . 2 . . . . 86 GLN HE22 . 15577 1 1056 . 1 1 86 86 GLN HG2 H 1 2.346 0.007 . 2 . . . . 86 GLN HG2 . 15577 1 1057 . 1 1 86 86 GLN HG3 H 1 2.382 0.003 . 2 . . . . 86 GLN HG3 . 15577 1 1058 . 1 1 86 86 GLN C C 13 175.677 0.017 . 1 . . . . 86 GLN C . 15577 1 1059 . 1 1 86 86 GLN CA C 13 55.811 0.078 . 1 . . . . 86 GLN CA . 15577 1 1060 . 1 1 86 86 GLN CB C 13 29.594 0.069 . 1 . . . . 86 GLN CB . 15577 1 1061 . 1 1 86 86 GLN CD C 13 181.189 0.012 . 1 . . . . 86 GLN CD . 15577 1 1062 . 1 1 86 86 GLN CG C 13 33.801 0.052 . 1 . . . . 86 GLN CG . 15577 1 1063 . 1 1 86 86 GLN N N 15 119.566 0.065 . 1 . . . . 86 GLN N . 15577 1 1064 . 1 1 86 86 GLN NE2 N 15 111.593 0.149 . 1 . . . . 86 GLN NE2 . 15577 1 1065 . 1 1 87 87 ASN H H 1 8.538 0.015 . 1 . . . . 87 ASN H . 15577 1 1066 . 1 1 87 87 ASN HA H 1 4.735 0.017 . 1 . . . . 87 ASN HA . 15577 1 1067 . 1 1 87 87 ASN HB2 H 1 2.879 0.004 . 2 . . . . 87 ASN HB2 . 15577 1 1068 . 1 1 87 87 ASN HB3 H 1 2.784 0.007 . 2 . . . . 87 ASN HB3 . 15577 1 1069 . 1 1 87 87 ASN HD21 H 1 7.585 0.012 . 2 . . . . 87 ASN HD21 . 15577 1 1070 . 1 1 87 87 ASN HD22 H 1 6.918 0.013 . 2 . . . . 87 ASN HD22 . 15577 1 1071 . 1 1 87 87 ASN C C 13 175.053 0.02 . 1 . . . . 87 ASN C . 15577 1 1072 . 1 1 87 87 ASN CA C 13 53.476 0.054 . 1 . . . . 87 ASN CA . 15577 1 1073 . 1 1 87 87 ASN CB C 13 39.008 0.059 . 1 . . . . 87 ASN CB . 15577 1 1074 . 1 1 87 87 ASN CG C 13 177.049 0.001 . 1 . . . . 87 ASN CG . 15577 1 1075 . 1 1 87 87 ASN N N 15 119.834 0.087 . 1 . . . . 87 ASN N . 15577 1 1076 . 1 1 87 87 ASN ND2 N 15 112.28 0.16 . 1 . . . . 87 ASN ND2 . 15577 1 1077 . 1 1 88 88 GLU H H 1 8.448 0.012 . 1 . . . . 88 GLU H . 15577 1 1078 . 1 1 88 88 GLU HA H 1 4.391 0.004 . 1 . . . . 88 GLU HA . 15577 1 1079 . 1 1 88 88 GLU HB2 H 1 1.968 0.019 . 2 . . . . 88 GLU HB2 . 15577 1 1080 . 1 1 88 88 GLU HB3 H 1 2.11 0.005 . 2 . . . . 88 GLU HB3 . 15577 1 1081 . 1 1 88 88 GLU HG2 H 1 2.283 0.004 . 2 . . . . 88 GLU HG2 . 15577 1 1082 . 1 1 88 88 GLU HG3 H 1 2.389 0.005 . 2 . . . . 88 GLU HG3 . 15577 1 1083 . 1 1 88 88 GLU C C 13 176.638 0.01 . 1 . . . . 88 GLU C . 15577 1 1084 . 1 1 88 88 GLU CA C 13 56.809 0.055 . 1 . . . . 88 GLU CA . 15577 1 1085 . 1 1 88 88 GLU CB C 13 30.304 0.04 . 1 . . . . 88 GLU CB . 15577 1 1086 . 1 1 88 88 GLU CG C 13 36.219 0.043 . 1 . . . . 88 GLU CG . 15577 1 1087 . 1 1 88 88 GLU N N 15 121.266 0.142 . 1 . . . . 88 GLU N . 15577 1 1088 . 1 1 89 89 THR H H 1 8.273 0.016 . 1 . . . . 89 THR H . 15577 1 1089 . 1 1 89 89 THR HA H 1 4.425 0.025 . 1 . . . . 89 THR HA . 15577 1 1090 . 1 1 89 89 THR HB H 1 4.287 0.011 . 1 . . . . 89 THR HB . 15577 1 1091 . 1 1 89 89 THR HG21 H 1 1.222 0.002 . 2 . . . . 89 THR HG21 . 15577 1 1092 . 1 1 89 89 THR HG22 H 1 1.222 0.002 . 2 . . . . 89 THR HG22 . 15577 1 1093 . 1 1 89 89 THR HG23 H 1 1.222 0.002 . 2 . . . . 89 THR HG23 . 15577 1 1094 . 1 1 89 89 THR C C 13 174.665 0.038 . 1 . . . . 89 THR C . 15577 1 1095 . 1 1 89 89 THR CA C 13 62.054 0.058 . 1 . . . . 89 THR CA . 15577 1 1096 . 1 1 89 89 THR CB C 13 69.734 0.028 . 1 . . . . 89 THR CB . 15577 1 1097 . 1 1 89 89 THR CG2 C 13 22.1 0 . 1 . . . . 89 THR CG2 . 15577 1 1098 . 1 1 89 89 THR N N 15 114.939 0.118 . 1 . . . . 89 THR N . 15577 1 1099 . 1 1 90 90 THR H H 1 8.118 0.017 . 1 . . . . 90 THR H . 15577 1 1100 . 1 1 90 90 THR HA H 1 4.424 0.01 . 1 . . . . 90 THR HA . 15577 1 1101 . 1 1 90 90 THR HB H 1 4.3 0.013 . 1 . . . . 90 THR HB . 15577 1 1102 . 1 1 90 90 THR HG21 H 1 1.233 0.003 . 2 . . . . 90 THR HG21 . 15577 1 1103 . 1 1 90 90 THR HG22 H 1 1.233 0.003 . 2 . . . . 90 THR HG22 . 15577 1 1104 . 1 1 90 90 THR HG23 H 1 1.233 0.003 . 2 . . . . 90 THR HG23 . 15577 1 1105 . 1 1 90 90 THR C C 13 174.283 0.014 . 1 . . . . 90 THR C . 15577 1 1106 . 1 1 90 90 THR CA C 13 61.718 0.149 . 1 . . . . 90 THR CA . 15577 1 1107 . 1 1 90 90 THR CB C 13 69.821 0.139 . 1 . . . . 90 THR CB . 15577 1 1108 . 1 1 90 90 THR CG2 C 13 21.298 0 . 1 . . . . 90 THR CG2 . 15577 1 1109 . 1 1 90 90 THR N N 15 115.98 0.065 . 1 . . . . 90 THR N . 15577 1 1110 . 1 1 91 91 SER H H 1 8.302 0.022 . 1 . . . . 91 SER H . 15577 1 1111 . 1 1 91 91 SER HA H 1 4.801 0.003 . 1 . . . . 91 SER HA . 15577 1 1112 . 1 1 91 91 SER HB2 H 1 3.875 0.008 . 2 . . . . 91 SER HB2 . 15577 1 1113 . 1 1 91 91 SER HB3 H 1 3.858 0.012 . 2 . . . . 91 SER HB3 . 15577 1 1114 . 1 1 91 91 SER C C 13 172.743 0 . 1 . . . . 91 SER C . 15577 1 1115 . 1 1 91 91 SER CA C 13 56.341 0.023 . 1 . . . . 91 SER CA . 15577 1 1116 . 1 1 91 91 SER CB C 13 63.419 0.088 . 1 . . . . 91 SER CB . 15577 1 1117 . 1 1 91 91 SER N N 15 119.482 0.159 . 1 . . . . 91 SER N . 15577 1 1118 . 1 1 92 92 PRO HA H 1 4.455 0.006 . 1 . . . . 92 PRO HA . 15577 1 1119 . 1 1 92 92 PRO HB2 H 1 2.282 0.006 . 2 . . . . 92 PRO HB2 . 15577 1 1120 . 1 1 92 92 PRO HB3 H 1 1.856 0.013 . 2 . . . . 92 PRO HB3 . 15577 1 1121 . 1 1 92 92 PRO HD2 H 1 3.727 0.005 . 2 . . . . 92 PRO HD2 . 15577 1 1122 . 1 1 92 92 PRO HD3 H 1 3.816 0.008 . 2 . . . . 92 PRO HD3 . 15577 1 1123 . 1 1 92 92 PRO HG2 H 1 1.916 0.032 . 2 . . . . 92 PRO HG2 . 15577 1 1124 . 1 1 92 92 PRO HG3 H 1 2.012 0.004 . 2 . . . . 92 PRO HG3 . 15577 1 1125 . 1 1 92 92 PRO CA C 13 63.422 0.125 . 1 . . . . 92 PRO CA . 15577 1 1126 . 1 1 92 92 PRO CB C 13 32.003 0.072 . 1 . . . . 92 PRO CB . 15577 1 1127 . 1 1 92 92 PRO CD C 13 50.769 0.047 . 1 . . . . 92 PRO CD . 15577 1 1128 . 1 1 92 92 PRO CG C 13 27.231 0.056 . 1 . . . . 92 PRO CG . 15577 1 1129 . 1 1 93 93 HIS H H 1 8.43 0.022 . 1 . . . . 93 HIS H . 15577 1 1130 . 1 1 93 93 HIS HA H 1 4.741 0.016 . 1 . . . . 93 HIS HA . 15577 1 1131 . 1 1 93 93 HIS HB2 H 1 3.269 0.009 . 2 . . . . 93 HIS HB2 . 15577 1 1132 . 1 1 93 93 HIS HB3 H 1 3.187 0.011 . 2 . . . . 93 HIS HB3 . 15577 1 1133 . 1 1 93 93 HIS HD2 H 1 7.245 0.001 . 1 . . . . 93 HIS HD2 . 15577 1 1134 . 1 1 93 93 HIS HE1 H 1 8.449 0 . 1 . . . . 93 HIS HE1 . 15577 1 1135 . 1 1 93 93 HIS CA C 13 55.641 0.088 . 1 . . . . 93 HIS CA . 15577 1 1136 . 1 1 93 93 HIS CB C 13 29.609 0.155 . 1 . . . . 93 HIS CB . 15577 1 1137 . 1 1 93 93 HIS CD2 C 13 120.146 0 . 1 . . . . 93 HIS CD2 . 15577 1 1138 . 1 1 93 93 HIS CE1 C 13 137.079 0 . 1 . . . . 93 HIS CE1 . 15577 1 1139 . 1 1 93 93 HIS N N 15 118.71 0.041 . 1 . . . . 93 HIS N . 15577 1 1140 . 1 1 94 94 SER H H 1 8.308 0.021 . 1 . . . . 94 SER H . 15577 1 1141 . 1 1 94 94 SER HA H 1 4.472 0.012 . 1 . . . . 94 SER HA . 15577 1 1142 . 1 1 94 94 SER HB2 H 1 3.936 0.006 . 2 . . . . 94 SER HB2 . 15577 1 1143 . 1 1 94 94 SER HB3 H 1 3.917 0.006 . 2 . . . . 94 SER HB3 . 15577 1 1144 . 1 1 94 94 SER C C 13 175.006 0 . 1 . . . . 94 SER C . 15577 1 1145 . 1 1 94 94 SER CA C 13 58.644 0.067 . 1 . . . . 94 SER CA . 15577 1 1146 . 1 1 94 94 SER CB C 13 63.771 0.146 . 1 . . . . 94 SER CB . 15577 1 1147 . 1 1 94 94 SER N N 15 117.062 0.097 . 1 . . . . 94 SER N . 15577 1 1148 . 1 1 95 95 GLY H H 1 8.522 0.017 . 1 . . . . 95 GLY H . 15577 1 1149 . 1 1 95 95 GLY HA2 H 1 4.022 0.005 . 2 . . . . 95 GLY HA2 . 15577 1 1150 . 1 1 95 95 GLY C C 13 174.008 0.005 . 1 . . . . 95 GLY C . 15577 1 1151 . 1 1 95 95 GLY CA C 13 45.39 0.051 . 1 . . . . 95 GLY CA . 15577 1 1152 . 1 1 95 95 GLY N N 15 111.139 0.122 . 1 . . . . 95 GLY N . 15577 1 1153 . 1 1 96 96 GLN H H 1 8.166 0.064 . 1 . . . . 96 GLN H . 15577 1 1154 . 1 1 96 96 GLN HA H 1 4.398 0 . 1 . . . . 96 GLN HA . 15577 1 1155 . 1 1 96 96 GLN HB2 H 1 2.038 0.01 . 2 . . . . 96 GLN HB2 . 15577 1 1156 . 1 1 96 96 GLN HB3 H 1 2.051 0.037 . 2 . . . . 96 GLN HB3 . 15577 1 1157 . 1 1 96 96 GLN HE21 H 1 6.927 0.002 . 2 . . . . 96 GLN HE21 . 15577 1 1158 . 1 1 96 96 GLN HE22 H 1 7.441 0.003 . 2 . . . . 96 GLN HE22 . 15577 1 1159 . 1 1 96 96 GLN C C 13 175.878 0.078 . 1 . . . . 96 GLN C . 15577 1 1160 . 1 1 96 96 GLN CA C 13 55.83 0.088 . 1 . . . . 96 GLN CA . 15577 1 1161 . 1 1 96 96 GLN CB C 13 29.649 0.105 . 1 . . . . 96 GLN CB . 15577 1 1162 . 1 1 96 96 GLN CG C 13 33.674 0.052 . 1 . . . . 96 GLN CG . 15577 1 1163 . 1 1 96 96 GLN N N 15 119.825 0.081 . 1 . . . . 96 GLN N . 15577 1 1164 . 1 1 96 96 GLN NE2 N 15 111.72 0.021 . 1 . . . . 96 GLN NE2 . 15577 1 1165 . 1 1 97 97 LYS H H 1 8.467 0.016 . 1 . . . . 97 LYS H . 15577 1 1166 . 1 1 97 97 LYS HA H 1 4.462 0.026 . 1 . . . . 97 LYS HA . 15577 1 1167 . 1 1 97 97 LYS HB2 H 1 1.909 0.02 . 2 . . . . 97 LYS HB2 . 15577 1 1168 . 1 1 97 97 LYS HB3 H 1 1.835 0.002 . 2 . . . . 97 LYS HB3 . 15577 1 1169 . 1 1 97 97 LYS HD2 H 1 1.441 0 . 2 . . . . 97 LYS HD . 15577 1 1170 . 1 1 97 97 LYS HD3 H 1 1.441 0 . 2 . . . . 97 LYS HD . 15577 1 1171 . 1 1 97 97 LYS HE2 H 1 2.567 0.001 . 2 . . . . 97 LYS HE2 . 15577 1 1172 . 1 1 97 97 LYS HE3 H 1 2.78 0.002 . 2 . . . . 97 LYS HE3 . 15577 1 1173 . 1 1 97 97 LYS HG2 H 1 1.723 0.005 . 2 . . . . 97 LYS HG . 15577 1 1174 . 1 1 97 97 LYS HG3 H 1 1.723 0.005 . 2 . . . . 97 LYS HG . 15577 1 1175 . 1 1 97 97 LYS C C 13 176.679 0.041 . 1 . . . . 97 LYS C . 15577 1 1176 . 1 1 97 97 LYS CA C 13 56.428 0.06 . 1 . . . . 97 LYS CA . 15577 1 1177 . 1 1 97 97 LYS CB C 13 33.036 0.103 . 1 . . . . 97 LYS CB . 15577 1 1178 . 1 1 97 97 LYS CD C 13 24.805 0.043 . 1 . . . . 97 LYS CD . 15577 1 1179 . 1 1 97 97 LYS CE C 13 42.207 0.023 . 1 . . . . 97 LYS CE . 15577 1 1180 . 1 1 97 97 LYS CG C 13 29.099 0.04 . 1 . . . . 97 LYS CG . 15577 1 1181 . 1 1 97 97 LYS N N 15 123.23 0.121 . 1 . . . . 97 LYS N . 15577 1 1182 . 1 1 98 98 THR H H 1 8.221 0.016 . 1 . . . . 98 THR H . 15577 1 1183 . 1 1 98 98 THR HA H 1 4.427 0.008 . 1 . . . . 98 THR HA . 15577 1 1184 . 1 1 98 98 THR HB H 1 4.273 0.008 . 1 . . . . 98 THR HB . 15577 1 1185 . 1 1 98 98 THR HG21 H 1 1.228 0.006 . 2 . . . . 98 THR HG21 . 15577 1 1186 . 1 1 98 98 THR HG22 H 1 1.228 0.006 . 2 . . . . 98 THR HG22 . 15577 1 1187 . 1 1 98 98 THR HG23 H 1 1.228 0.006 . 2 . . . . 98 THR HG23 . 15577 1 1188 . 1 1 98 98 THR C C 13 174.068 0 . 1 . . . . 98 THR C . 15577 1 1189 . 1 1 98 98 THR CA C 13 61.706 0.077 . 1 . . . . 98 THR CA . 15577 1 1190 . 1 1 98 98 THR CB C 13 69.822 0.131 . 1 . . . . 98 THR CB . 15577 1 1191 . 1 1 98 98 THR CG2 C 13 21.437 0.098 . 1 . . . . 98 THR CG2 . 15577 1 1192 . 1 1 98 98 THR N N 15 115.382 0.171 . 1 . . . . 98 THR N . 15577 1 1193 . 1 1 99 99 GLY H H 1 8 0.016 . 1 . . . . 99 GLY H . 15577 1 1194 . 1 1 99 99 GLY HA2 H 1 3.81 0.005 . 2 . . . . 99 GLY HA . 15577 1 1195 . 1 1 99 99 GLY HA3 H 1 3.81 0.005 . 2 . . . . 99 GLY HA . 15577 1 1196 . 1 1 99 99 GLY C C 13 178.846 0 . 1 . . . . 99 GLY C . 15577 1 1197 . 1 1 99 99 GLY CA C 13 46.235 0.026 . 1 . . . . 99 GLY CA . 15577 1 1198 . 1 1 99 99 GLY N N 15 117.395 0.205 . 1 . . . . 99 GLY N . 15577 1 stop_ save_