data_25461 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25461 _Entry.Title ; Structure of the CUE domain of yeast Cue1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-02 _Entry.Accession_date 2015-02-02 _Entry.Last_release_date 2016-03-21 _Entry.Original_release_date 2016-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Structure of the CUE domain of yeast coupling of ubiquitin conjugation to ER degradation protein 1 (Cue1)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andreas Kniss . . . . 25461 2 Vladimir Rogov . V. . . 25461 3 Frank Loehr . . . . 25461 4 Peter Guentert . . . . 25461 5 Volker Doetsch . . . . 25461 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25461 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CUE domain' . 25461 ERAD . 25461 ubiquitination . 25461 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25461 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 25461 '15N chemical shifts' 81 25461 '1H chemical shifts' 498 25461 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-03-21 . original BMRB . 25461 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MYX 'BMRB entry-tracking system' 25461 SGD S000004877 ; Endoplasmic reticulum membrane protein that recruits the ubiquitin-conjugating enzyme Ubc7 to the ER where it functions in protein degradation; contains a CUE domain that binds ubiquitin to facilitate intramolecular monoubiquitination. ; 25461 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25461 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Dynamic binding of a ubiquitin binding domain to polyubiquitin stimulates chain elongation by an E2 enzyme ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maximilian 'von Delbrueck' . . . . 25461 1 2 Andreas Kniss . . . . 25461 1 3 Vladimir Rogov . V. . . 25461 1 4 Lukas Pluska . . . . 25461 1 5 Katrin Bagola . . . . 25461 1 6 Frank Loehr . . . . 25461 1 7 Peter Guentert . . . . 25461 1 8 Thomas Sommer . . . . 25461 1 9 Volker Doetsch . . . . 25461 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25461 _Assembly.ID 1 _Assembly.Name 'CUE domain of yeast Cue1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25461 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25461 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Coupling_of_ubiquitin_conjugation_to_ER_degradation_protein_1_(Cue1) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGPQGSTQNALRRTGRVN GGHPVTTQMVETVQNLAPNL HPEQIRYSLENTGSVEETVE RYLRGDEFSFPPGFE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 41-44 represent non-native residues (cloning artifacts). Residues 45-115 represent native amino acids of yeast Cue1. ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'residues 45-115 of Cue1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8266.121 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 41 GLY . 25461 1 2 42 ALA . 25461 1 3 43 MET . 25461 1 4 44 GLY . 25461 1 5 45 PRO . 25461 1 6 46 GLN . 25461 1 7 47 GLY . 25461 1 8 48 SER . 25461 1 9 49 THR . 25461 1 10 50 GLN . 25461 1 11 51 ASN . 25461 1 12 52 ALA . 25461 1 13 53 LEU . 25461 1 14 54 ARG . 25461 1 15 55 ARG . 25461 1 16 56 THR . 25461 1 17 57 GLY . 25461 1 18 58 ARG . 25461 1 19 59 VAL . 25461 1 20 60 ASN . 25461 1 21 61 GLY . 25461 1 22 62 GLY . 25461 1 23 63 HIS . 25461 1 24 64 PRO . 25461 1 25 65 VAL . 25461 1 26 66 THR . 25461 1 27 67 THR . 25461 1 28 68 GLN . 25461 1 29 69 MET . 25461 1 30 70 VAL . 25461 1 31 71 GLU . 25461 1 32 72 THR . 25461 1 33 73 VAL . 25461 1 34 74 GLN . 25461 1 35 75 ASN . 25461 1 36 76 LEU . 25461 1 37 77 ALA . 25461 1 38 78 PRO . 25461 1 39 79 ASN . 25461 1 40 80 LEU . 25461 1 41 81 HIS . 25461 1 42 82 PRO . 25461 1 43 83 GLU . 25461 1 44 84 GLN . 25461 1 45 85 ILE . 25461 1 46 86 ARG . 25461 1 47 87 TYR . 25461 1 48 88 SER . 25461 1 49 89 LEU . 25461 1 50 90 GLU . 25461 1 51 91 ASN . 25461 1 52 92 THR . 25461 1 53 93 GLY . 25461 1 54 94 SER . 25461 1 55 95 VAL . 25461 1 56 96 GLU . 25461 1 57 97 GLU . 25461 1 58 98 THR . 25461 1 59 99 VAL . 25461 1 60 100 GLU . 25461 1 61 101 ARG . 25461 1 62 102 TYR . 25461 1 63 103 LEU . 25461 1 64 104 ARG . 25461 1 65 105 GLY . 25461 1 66 106 ASP . 25461 1 67 107 GLU . 25461 1 68 108 PHE . 25461 1 69 109 SER . 25461 1 70 110 PHE . 25461 1 71 111 PRO . 25461 1 72 112 PRO . 25461 1 73 113 GLY . 25461 1 74 114 PHE . 25461 1 75 115 GLU . 25461 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25461 1 . ALA 2 2 25461 1 . MET 3 3 25461 1 . GLY 4 4 25461 1 . PRO 5 5 25461 1 . GLN 6 6 25461 1 . GLY 7 7 25461 1 . SER 8 8 25461 1 . THR 9 9 25461 1 . GLN 10 10 25461 1 . ASN 11 11 25461 1 . ALA 12 12 25461 1 . LEU 13 13 25461 1 . ARG 14 14 25461 1 . ARG 15 15 25461 1 . THR 16 16 25461 1 . GLY 17 17 25461 1 . ARG 18 18 25461 1 . VAL 19 19 25461 1 . ASN 20 20 25461 1 . GLY 21 21 25461 1 . GLY 22 22 25461 1 . HIS 23 23 25461 1 . PRO 24 24 25461 1 . VAL 25 25 25461 1 . THR 26 26 25461 1 . THR 27 27 25461 1 . GLN 28 28 25461 1 . MET 29 29 25461 1 . VAL 30 30 25461 1 . GLU 31 31 25461 1 . THR 32 32 25461 1 . VAL 33 33 25461 1 . GLN 34 34 25461 1 . ASN 35 35 25461 1 . LEU 36 36 25461 1 . ALA 37 37 25461 1 . PRO 38 38 25461 1 . ASN 39 39 25461 1 . LEU 40 40 25461 1 . HIS 41 41 25461 1 . PRO 42 42 25461 1 . GLU 43 43 25461 1 . GLN 44 44 25461 1 . ILE 45 45 25461 1 . ARG 46 46 25461 1 . TYR 47 47 25461 1 . SER 48 48 25461 1 . LEU 49 49 25461 1 . GLU 50 50 25461 1 . ASN 51 51 25461 1 . THR 52 52 25461 1 . GLY 53 53 25461 1 . SER 54 54 25461 1 . VAL 55 55 25461 1 . GLU 56 56 25461 1 . GLU 57 57 25461 1 . THR 58 58 25461 1 . VAL 59 59 25461 1 . GLU 60 60 25461 1 . ARG 61 61 25461 1 . TYR 62 62 25461 1 . LEU 63 63 25461 1 . ARG 64 64 25461 1 . GLY 65 65 25461 1 . ASP 66 66 25461 1 . GLU 67 67 25461 1 . PHE 68 68 25461 1 . SER 69 69 25461 1 . PHE 70 70 25461 1 . PRO 71 71 25461 1 . PRO 72 72 25461 1 . GLY 73 73 25461 1 . PHE 74 74 25461 1 . GLU 75 75 25461 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 25461 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . CUE1 . 25461 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 25461 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'T7 Express (NEB)' . . . . . pET39(b)+ . . . 25461 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25461 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25461 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25461 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25461 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25461 1 5 'protease inhibitor cocktail' 'natural abundance' . . . . . . 4.6 . . mM . . . . 25461 1 6 'CUE domain of Cue1' '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25461 1 7 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 25461 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25461 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 25461 _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' 100 . mM 25461 1 pH 7.0 . pH 25461 1 pressure 1 . atm 25461 1 temperature 298 . K 25461 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25461 _Software.ID 1 _Software.Name CYANA _Software.Version 3.96 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25461 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25461 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25461 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25461 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25461 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25461 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25461 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25461 3 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 25461 _Software.ID 4 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25461 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25461 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25461 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25461 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle constraints' 25461 5 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 25461 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25461 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25461 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25461 _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 25461 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25461 1 2 spectrometer_2 Bruker Avance . 700 . . . 25461 1 3 spectrometer_3 Bruker Avance . 600 . . . 25461 1 4 spectrometer_4 Bruker Avance . 500 . . . 25461 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 25461 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 7 '3D long range 1H-15N TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 10 '2D 1H-13C ct TROSY H(C)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 11 '2D (H)CB(CG)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 13 '3D H(CC)(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 14 '3D (H)C(C)(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 1 15 '2D 1H-15N BEST TROSY H(N)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25461 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 25461 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25461 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25461 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25461 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 25461 _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' . . . 25461 1 2 '3D HNCACB' . . . 25461 1 3 '3D HNCO' . . . 25461 1 8 '3D HN(CA)CO' . . . 25461 1 9 '2D 1H-13C HSQC' . . . 25461 1 11 '2D (H)CB(CG)CCH-TOCSY' . . . 25461 1 12 '2D (HB)CB(CGCD)HD' . . . 25461 1 13 '3D H(CC)(CO)NH TOCSY' . . . 25461 1 14 '3D (H)C(C)(CO)NH TOCSY' . . . 25461 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 25461 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.357 0.002 . 1 . . . A 42 ALA HA . 25461 1 2 . 1 1 2 2 ALA HB1 H 1 1.402 0.000 . 1 . . . A 42 ALA HB1 . 25461 1 3 . 1 1 2 2 ALA HB2 H 1 1.402 0.000 . 1 . . . A 42 ALA HB2 . 25461 1 4 . 1 1 2 2 ALA HB3 H 1 1.402 0.000 . 1 . . . A 42 ALA HB3 . 25461 1 5 . 1 1 2 2 ALA C C 13 177.825 0.002 . 1 . . . A 42 ALA C . 25461 1 6 . 1 1 2 2 ALA CA C 13 52.674 0.001 . 1 . . . A 42 ALA CA . 25461 1 7 . 1 1 2 2 ALA CB C 13 19.452 0.001 . 1 . . . A 42 ALA CB . 25461 1 8 . 1 1 3 3 MET H H 1 8.507 0.003 . 1 . . . A 43 MET H . 25461 1 9 . 1 1 3 3 MET HA H 1 4.549 0.004 . 1 . . . A 43 MET HA . 25461 1 10 . 1 1 3 3 MET HB2 H 1 2.109 0.000 . 2 . . . A 43 MET HB2 . 25461 1 11 . 1 1 3 3 MET HB3 H 1 2.029 0.008 . 2 . . . A 43 MET HB3 . 25461 1 12 . 1 1 3 3 MET HG2 H 1 2.638 0.003 . 2 . . . A 43 MET HG2 . 25461 1 13 . 1 1 3 3 MET HG3 H 1 2.578 0.010 . 2 . . . A 43 MET HG3 . 25461 1 14 . 1 1 3 3 MET HE1 H 1 2.097 0.000 . 1 . . . A 43 MET HE1 . 25461 1 15 . 1 1 3 3 MET HE2 H 1 2.097 0.000 . 1 . . . A 43 MET HE2 . 25461 1 16 . 1 1 3 3 MET HE3 H 1 2.097 0.000 . 1 . . . A 43 MET HE3 . 25461 1 17 . 1 1 3 3 MET C C 13 176.478 0.006 . 1 . . . A 43 MET C . 25461 1 18 . 1 1 3 3 MET CA C 13 55.344 0.008 . 1 . . . A 43 MET CA . 25461 1 19 . 1 1 3 3 MET CB C 13 33.129 0.037 . 1 . . . A 43 MET CB . 25461 1 20 . 1 1 3 3 MET CG C 13 32.019 0.016 . 1 . . . A 43 MET CG . 25461 1 21 . 1 1 3 3 MET CE C 13 16.948 0.000 . 1 . . . A 43 MET CE . 25461 1 22 . 1 1 3 3 MET N N 15 119.667 0.012 . 1 . . . A 43 MET N . 25461 1 23 . 1 1 4 4 GLY H H 1 8.251 0.002 . 1 . . . A 44 GLY H . 25461 1 24 . 1 1 4 4 GLY HA2 H 1 4.083 0.000 . 2 . . . A 44 GLY HA2 . 25461 1 25 . 1 1 4 4 GLY HA3 H 1 4.151 0.000 . 2 . . . A 44 GLY HA3 . 25461 1 26 . 1 1 4 4 GLY C C 13 172.009 0.000 . 1 . . . A 44 GLY C . 25461 1 27 . 1 1 4 4 GLY CA C 13 44.642 0.005 . 1 . . . A 44 GLY CA . 25461 1 28 . 1 1 4 4 GLY N N 15 110.244 0.011 . 1 . . . A 44 GLY N . 25461 1 29 . 1 1 5 5 PRO HA H 1 4.433 0.004 . 1 . . . A 45 PRO HA . 25461 1 30 . 1 1 5 5 PRO HB2 H 1 2.295 0.000 . 2 . . . A 45 PRO HB2 . 25461 1 31 . 1 1 5 5 PRO HB3 H 1 2.295 0.000 . 2 . . . A 45 PRO HB3 . 25461 1 32 . 1 1 5 5 PRO HG2 H 1 2.022 0.000 . 2 . . . A 45 PRO HG2 . 25461 1 33 . 1 1 5 5 PRO HG3 H 1 2.022 0.000 . 2 . . . A 45 PRO HG3 . 25461 1 34 . 1 1 5 5 PRO HD2 H 1 3.639 0.003 . 2 . . . A 45 PRO HD2 . 25461 1 35 . 1 1 5 5 PRO HD3 H 1 3.639 0.003 . 2 . . . A 45 PRO HD3 . 25461 1 36 . 1 1 5 5 PRO C C 13 177.510 0.002 . 1 . . . A 45 PRO C . 25461 1 37 . 1 1 5 5 PRO CA C 13 63.405 0.018 . 1 . . . A 45 PRO CA . 25461 1 38 . 1 1 5 5 PRO CB C 13 32.106 0.010 . 1 . . . A 45 PRO CB . 25461 1 39 . 1 1 5 5 PRO CG C 13 27.289 0.000 . 1 . . . A 45 PRO CG . 25461 1 40 . 1 1 5 5 PRO CD C 13 49.862 0.036 . 1 . . . A 45 PRO CD . 25461 1 41 . 1 1 6 6 GLN H H 1 8.628 0.001 . 1 . . . A 46 GLN H . 25461 1 42 . 1 1 6 6 GLN HA H 1 4.346 0.004 . 1 . . . A 46 GLN HA . 25461 1 43 . 1 1 6 6 GLN HB2 H 1 2.134 0.000 . 2 . . . A 46 GLN HB2 . 25461 1 44 . 1 1 6 6 GLN HB3 H 1 2.134 0.000 . 2 . . . A 46 GLN HB3 . 25461 1 45 . 1 1 6 6 GLN HG2 H 1 2.409 0.002 . 2 . . . A 46 GLN HG2 . 25461 1 46 . 1 1 6 6 GLN HG3 H 1 2.409 0.002 . 2 . . . A 46 GLN HG3 . 25461 1 47 . 1 1 6 6 GLN C C 13 176.687 0.006 . 1 . . . A 46 GLN C . 25461 1 48 . 1 1 6 6 GLN CA C 13 56.056 0.027 . 1 . . . A 46 GLN CA . 25461 1 49 . 1 1 6 6 GLN CB C 13 29.423 0.043 . 1 . . . A 46 GLN CB . 25461 1 50 . 1 1 6 6 GLN CG C 13 33.974 0.041 . 1 . . . A 46 GLN CG . 25461 1 51 . 1 1 6 6 GLN N N 15 120.607 0.012 . 1 . . . A 46 GLN N . 25461 1 52 . 1 1 7 7 GLY H H 1 8.411 0.003 . 1 . . . A 47 GLY H . 25461 1 53 . 1 1 7 7 GLY HA2 H 1 3.999 0.004 . 2 . . . A 47 GLY HA2 . 25461 1 54 . 1 1 7 7 GLY HA3 H 1 3.999 0.004 . 2 . . . A 47 GLY HA3 . 25461 1 55 . 1 1 7 7 GLY C C 13 174.308 0.007 . 1 . . . A 47 GLY C . 25461 1 56 . 1 1 7 7 GLY CA C 13 45.434 0.028 . 1 . . . A 47 GLY CA . 25461 1 57 . 1 1 7 7 GLY N N 15 110.011 0.018 . 1 . . . A 47 GLY N . 25461 1 58 . 1 1 8 8 SER H H 1 8.284 0.003 . 1 . . . A 48 SER H . 25461 1 59 . 1 1 8 8 SER HA H 1 4.542 0.000 . 1 . . . A 48 SER HA . 25461 1 60 . 1 1 8 8 SER HB2 H 1 3.920 0.008 . 1 . . . A 48 SER HB2 . 25461 1 61 . 1 1 8 8 SER HB3 H 1 3.920 0.008 . 1 . . . A 48 SER HB3 . 25461 1 62 . 1 1 8 8 SER C C 13 175.288 0.006 . 1 . . . A 48 SER C . 25461 1 63 . 1 1 8 8 SER CA C 13 58.437 0.024 . 1 . . . A 48 SER CA . 25461 1 64 . 1 1 8 8 SER CB C 13 63.965 0.017 . 1 . . . A 48 SER CB . 25461 1 65 . 1 1 8 8 SER N N 15 115.646 0.029 . 1 . . . A 48 SER N . 25461 1 66 . 1 1 9 9 THR H H 1 8.282 0.002 . 1 . . . A 49 THR H . 25461 1 67 . 1 1 9 9 THR HA H 1 4.343 0.004 . 1 . . . A 49 THR HA . 25461 1 68 . 1 1 9 9 THR HB H 1 4.278 0.001 . 1 . . . A 49 THR HB . 25461 1 69 . 1 1 9 9 THR HG21 H 1 1.226 0.000 . 1 . . . A 49 THR HG21 . 25461 1 70 . 1 1 9 9 THR HG22 H 1 1.226 0.000 . 1 . . . A 49 THR HG22 . 25461 1 71 . 1 1 9 9 THR HG23 H 1 1.226 0.000 . 1 . . . A 49 THR HG23 . 25461 1 72 . 1 1 9 9 THR C C 13 174.948 0.005 . 1 . . . A 49 THR C . 25461 1 73 . 1 1 9 9 THR CA C 13 62.294 0.003 . 1 . . . A 49 THR CA . 25461 1 74 . 1 1 9 9 THR CB C 13 69.614 0.053 . 1 . . . A 49 THR CB . 25461 1 75 . 1 1 9 9 THR CG2 C 13 21.732 0.000 . 1 . . . A 49 THR CG2 . 25461 1 76 . 1 1 9 9 THR N N 15 115.928 0.023 . 1 . . . A 49 THR N . 25461 1 77 . 1 1 10 10 GLN H H 1 8.401 0.005 . 1 . . . A 50 GLN H . 25461 1 78 . 1 1 10 10 GLN HA H 1 4.387 0.007 . 1 . . . A 50 GLN HA . 25461 1 79 . 1 1 10 10 GLN HB2 H 1 1.985 0.000 . 2 . . . A 50 GLN HB2 . 25461 1 80 . 1 1 10 10 GLN HB3 H 1 1.985 0.000 . 2 . . . A 50 GLN HB3 . 25461 1 81 . 1 1 10 10 GLN HG2 H 1 2.400 0.004 . 2 . . . A 50 GLN HG2 . 25461 1 82 . 1 1 10 10 GLN HG3 H 1 2.400 0.004 . 2 . . . A 50 GLN HG3 . 25461 1 83 . 1 1 10 10 GLN C C 13 176.071 0.008 . 1 . . . A 50 GLN C . 25461 1 84 . 1 1 10 10 GLN CA C 13 56.390 0.058 . 1 . . . A 50 GLN CA . 25461 1 85 . 1 1 10 10 GLN CB C 13 29.226 0.000 . 1 . . . A 50 GLN CB . 25461 1 86 . 1 1 10 10 GLN CG C 13 33.886 0.032 . 1 . . . A 50 GLN CG . 25461 1 87 . 1 1 10 10 GLN N N 15 122.155 0.024 . 1 . . . A 50 GLN N . 25461 1 88 . 1 1 11 11 ASN H H 1 8.395 0.003 . 1 . . . A 51 ASN H . 25461 1 89 . 1 1 11 11 ASN HA H 1 4.638 0.005 . 1 . . . A 51 ASN HA . 25461 1 90 . 1 1 11 11 ASN HB2 H 1 2.793 0.009 . 2 . . . A 51 ASN HB2 . 25461 1 91 . 1 1 11 11 ASN HB3 H 1 2.793 0.009 . 2 . . . A 51 ASN HB3 . 25461 1 92 . 1 1 11 11 ASN C C 13 175.275 0.004 . 1 . . . A 51 ASN C . 25461 1 93 . 1 1 11 11 ASN CA C 13 53.650 0.049 . 1 . . . A 51 ASN CA . 25461 1 94 . 1 1 11 11 ASN CB C 13 38.857 0.021 . 1 . . . A 51 ASN CB . 25461 1 95 . 1 1 11 11 ASN N N 15 119.604 0.014 . 1 . . . A 51 ASN N . 25461 1 96 . 1 1 12 12 ALA H H 1 8.227 0.004 . 1 . . . A 52 ALA H . 25461 1 97 . 1 1 12 12 ALA HA H 1 4.262 0.005 . 1 . . . A 52 ALA HA . 25461 1 98 . 1 1 12 12 ALA HB1 H 1 1.398 0.004 . 1 . . . A 52 ALA HB1 . 25461 1 99 . 1 1 12 12 ALA HB2 H 1 1.398 0.004 . 1 . . . A 52 ALA HB2 . 25461 1 100 . 1 1 12 12 ALA HB3 H 1 1.398 0.004 . 1 . . . A 52 ALA HB3 . 25461 1 101 . 1 1 12 12 ALA C C 13 177.915 0.005 . 1 . . . A 52 ALA C . 25461 1 102 . 1 1 12 12 ALA CA C 13 53.091 0.017 . 1 . . . A 52 ALA CA . 25461 1 103 . 1 1 12 12 ALA CB C 13 19.174 0.065 . 1 . . . A 52 ALA CB . 25461 1 104 . 1 1 12 12 ALA N N 15 124.054 0.007 . 1 . . . A 52 ALA N . 25461 1 105 . 1 1 13 13 LEU H H 1 8.097 0.002 . 1 . . . A 53 LEU H . 25461 1 106 . 1 1 13 13 LEU HA H 1 4.292 0.006 . 1 . . . A 53 LEU HA . 25461 1 107 . 1 1 13 13 LEU HB2 H 1 1.583 0.005 . 2 . . . A 53 LEU HB2 . 25461 1 108 . 1 1 13 13 LEU HB3 H 1 1.659 0.002 . 2 . . . A 53 LEU HB3 . 25461 1 109 . 1 1 13 13 LEU HG H 1 1.619 0.000 . 1 . . . A 53 LEU HG . 25461 1 110 . 1 1 13 13 LEU HD11 H 1 0.914 0.001 . 2 . . . A 53 LEU HD11 . 25461 1 111 . 1 1 13 13 LEU HD12 H 1 0.914 0.001 . 2 . . . A 53 LEU HD12 . 25461 1 112 . 1 1 13 13 LEU HD13 H 1 0.914 0.001 . 2 . . . A 53 LEU HD13 . 25461 1 113 . 1 1 13 13 LEU HD21 H 1 0.866 0.002 . 2 . . . A 53 LEU HD21 . 25461 1 114 . 1 1 13 13 LEU HD22 H 1 0.866 0.002 . 2 . . . A 53 LEU HD22 . 25461 1 115 . 1 1 13 13 LEU HD23 H 1 0.866 0.002 . 2 . . . A 53 LEU HD23 . 25461 1 116 . 1 1 13 13 LEU C C 13 177.531 0.006 . 1 . . . A 53 LEU C . 25461 1 117 . 1 1 13 13 LEU CA C 13 55.443 0.001 . 1 . . . A 53 LEU CA . 25461 1 118 . 1 1 13 13 LEU CB C 13 42.207 0.008 . 1 . . . A 53 LEU CB . 25461 1 119 . 1 1 13 13 LEU CG C 13 27.087 0.000 . 1 . . . A 53 LEU CG . 25461 1 120 . 1 1 13 13 LEU CD1 C 13 24.943 0.004 . 1 . . . A 53 LEU CD1 . 25461 1 121 . 1 1 13 13 LEU CD2 C 13 23.522 0.001 . 1 . . . A 53 LEU CD2 . 25461 1 122 . 1 1 13 13 LEU N N 15 120.325 0.005 . 1 . . . A 53 LEU N . 25461 1 123 . 1 1 14 14 ARG H H 1 8.155 0.003 . 1 . . . A 54 ARG H . 25461 1 124 . 1 1 14 14 ARG HA H 1 4.333 0.001 . 1 . . . A 54 ARG HA . 25461 1 125 . 1 1 14 14 ARG HB2 H 1 1.799 0.004 . 2 . . . A 54 ARG HB2 . 25461 1 126 . 1 1 14 14 ARG HB3 H 1 1.799 0.004 . 2 . . . A 54 ARG HB3 . 25461 1 127 . 1 1 14 14 ARG HG2 H 1 1.634 0.000 . 2 . . . A 54 ARG HG2 . 25461 1 128 . 1 1 14 14 ARG HG3 H 1 1.634 0.000 . 2 . . . A 54 ARG HG3 . 25461 1 129 . 1 1 14 14 ARG HD2 H 1 3.196 0.000 . 2 . . . A 54 ARG HD2 . 25461 1 130 . 1 1 14 14 ARG HD3 H 1 3.196 0.000 . 2 . . . A 54 ARG HD3 . 25461 1 131 . 1 1 14 14 ARG C C 13 176.332 0.009 . 1 . . . A 54 ARG C . 25461 1 132 . 1 1 14 14 ARG CA C 13 56.187 0.058 . 1 . . . A 54 ARG CA . 25461 1 133 . 1 1 14 14 ARG CB C 13 30.736 0.027 . 1 . . . A 54 ARG CB . 25461 1 134 . 1 1 14 14 ARG CG C 13 27.245 0.000 . 1 . . . A 54 ARG CG . 25461 1 135 . 1 1 14 14 ARG CD C 13 43.390 0.000 . 1 . . . A 54 ARG CD . 25461 1 136 . 1 1 14 14 ARG N N 15 121.409 0.005 . 1 . . . A 54 ARG N . 25461 1 137 . 1 1 15 15 ARG H H 1 8.389 0.006 . 1 . . . A 55 ARG H . 25461 1 138 . 1 1 15 15 ARG HA H 1 4.418 0.004 . 1 . . . A 55 ARG HA . 25461 1 139 . 1 1 15 15 ARG HB2 H 1 1.880 0.000 . 1 . . . A 55 ARG HB2 . 25461 1 140 . 1 1 15 15 ARG HB3 H 1 1.821 0.000 . 2 . . . A 55 ARG HB3 . 25461 1 141 . 1 1 15 15 ARG HG2 H 1 1.650 0.000 . 2 . . . A 55 ARG HG2 . 25461 1 142 . 1 1 15 15 ARG HG3 H 1 1.650 0.000 . 2 . . . A 55 ARG HG3 . 25461 1 143 . 1 1 15 15 ARG HD2 H 1 3.205 0.000 . 2 . . . A 55 ARG HD2 . 25461 1 144 . 1 1 15 15 ARG HD3 H 1 3.205 0.000 . 2 . . . A 55 ARG HD3 . 25461 1 145 . 1 1 15 15 ARG C C 13 176.563 0.010 . 1 . . . A 55 ARG C . 25461 1 146 . 1 1 15 15 ARG CA C 13 56.289 0.016 . 1 . . . A 55 ARG CA . 25461 1 147 . 1 1 15 15 ARG CB C 13 30.838 0.018 . 1 . . . A 55 ARG CB . 25461 1 148 . 1 1 15 15 ARG CG C 13 27.223 0.000 . 1 . . . A 55 ARG CG . 25461 1 149 . 1 1 15 15 ARG CD C 13 43.410 0.000 . 1 . . . A 55 ARG CD . 25461 1 150 . 1 1 15 15 ARG N N 15 122.380 0.037 . 1 . . . A 55 ARG N . 25461 1 151 . 1 1 16 16 THR H H 1 8.204 0.005 . 1 . . . A 56 THR H . 25461 1 152 . 1 1 16 16 THR HA H 1 4.372 0.002 . 1 . . . A 56 THR HA . 25461 1 153 . 1 1 16 16 THR HB H 1 4.263 0.000 . 1 . . . A 56 THR HB . 25461 1 154 . 1 1 16 16 THR HG21 H 1 1.222 0.000 . 1 . . . A 56 THR HG21 . 25461 1 155 . 1 1 16 16 THR HG22 H 1 1.222 0.000 . 1 . . . A 56 THR HG22 . 25461 1 156 . 1 1 16 16 THR HG23 H 1 1.222 0.000 . 1 . . . A 56 THR HG23 . 25461 1 157 . 1 1 16 16 THR C C 13 175.062 0.005 . 1 . . . A 56 THR C . 25461 1 158 . 1 1 16 16 THR CA C 13 61.926 0.027 . 1 . . . A 56 THR CA . 25461 1 159 . 1 1 16 16 THR CB C 13 70.016 0.005 . 1 . . . A 56 THR CB . 25461 1 160 . 1 1 16 16 THR CG2 C 13 21.616 0.000 . 1 . . . A 56 THR CG2 . 25461 1 161 . 1 1 16 16 THR N N 15 114.693 0.010 . 1 . . . A 56 THR N . 25461 1 162 . 1 1 17 17 GLY H H 1 8.424 0.002 . 1 . . . A 57 GLY H . 25461 1 163 . 1 1 17 17 GLY HA2 H 1 3.989 0.007 . 2 . . . A 57 GLY HA2 . 25461 1 164 . 1 1 17 17 GLY HA3 H 1 3.989 0.007 . 2 . . . A 57 GLY HA3 . 25461 1 165 . 1 1 17 17 GLY C C 13 173.868 0.012 . 1 . . . A 57 GLY C . 25461 1 166 . 1 1 17 17 GLY CA C 13 45.291 0.048 . 1 . . . A 57 GLY CA . 25461 1 167 . 1 1 17 17 GLY N N 15 111.042 0.014 . 1 . . . A 57 GLY N . 25461 1 168 . 1 1 18 18 ARG H H 1 8.232 0.005 . 1 . . . A 58 ARG H . 25461 1 169 . 1 1 18 18 ARG HA H 1 4.386 0.004 . 1 . . . A 58 ARG HA . 25461 1 170 . 1 1 18 18 ARG HB2 H 1 1.826 0.000 . 2 . . . A 58 ARG HB2 . 25461 1 171 . 1 1 18 18 ARG HB3 H 1 1.757 0.000 . 2 . . . A 58 ARG HB3 . 25461 1 172 . 1 1 18 18 ARG HG2 H 1 1.611 0.006 . 2 . . . A 58 ARG HG2 . 25461 1 173 . 1 1 18 18 ARG HG3 H 1 1.611 0.006 . 2 . . . A 58 ARG HG3 . 25461 1 174 . 1 1 18 18 ARG HD2 H 1 3.186 0.003 . 2 . . . A 58 ARG HD2 . 25461 1 175 . 1 1 18 18 ARG HD3 H 1 3.186 0.003 . 2 . . . A 58 ARG HD3 . 25461 1 176 . 1 1 18 18 ARG C C 13 176.522 0.004 . 1 . . . A 58 ARG C . 25461 1 177 . 1 1 18 18 ARG CA C 13 56.111 0.027 . 1 . . . A 58 ARG CA . 25461 1 178 . 1 1 18 18 ARG CB C 13 31.074 0.012 . 1 . . . A 58 ARG CB . 25461 1 179 . 1 1 18 18 ARG CG C 13 27.175 0.035 . 1 . . . A 58 ARG CG . 25461 1 180 . 1 1 18 18 ARG CD C 13 43.409 0.009 . 1 . . . A 58 ARG CD . 25461 1 181 . 1 1 18 18 ARG N N 15 120.824 0.007 . 1 . . . A 58 ARG N . 25461 1 182 . 1 1 19 19 VAL H H 1 8.307 0.001 . 1 . . . A 59 VAL H . 25461 1 183 . 1 1 19 19 VAL HA H 1 4.120 0.004 . 1 . . . A 59 VAL HA . 25461 1 184 . 1 1 19 19 VAL HB H 1 2.065 0.002 . 1 . . . A 59 VAL HB . 25461 1 185 . 1 1 19 19 VAL HG11 H 1 0.912 0.005 . 2 . . . A 59 VAL HG11 . 25461 1 186 . 1 1 19 19 VAL HG12 H 1 0.912 0.005 . 2 . . . A 59 VAL HG12 . 25461 1 187 . 1 1 19 19 VAL HG13 H 1 0.912 0.005 . 2 . . . A 59 VAL HG13 . 25461 1 188 . 1 1 19 19 VAL HG21 H 1 0.912 0.005 . 2 . . . A 59 VAL HG21 . 25461 1 189 . 1 1 19 19 VAL HG22 H 1 0.912 0.005 . 2 . . . A 59 VAL HG22 . 25461 1 190 . 1 1 19 19 VAL HG23 H 1 0.912 0.005 . 2 . . . A 59 VAL HG23 . 25461 1 191 . 1 1 19 19 VAL C C 13 176.022 0.006 . 1 . . . A 59 VAL C . 25461 1 192 . 1 1 19 19 VAL CA C 13 62.413 0.012 . 1 . . . A 59 VAL CA . 25461 1 193 . 1 1 19 19 VAL CB C 13 32.815 0.008 . 1 . . . A 59 VAL CB . 25461 1 194 . 1 1 19 19 VAL CG1 C 13 20.886 0.029 . 1 . . . A 59 VAL CG1 . 25461 1 195 . 1 1 19 19 VAL N N 15 121.437 0.015 . 1 . . . A 59 VAL N . 25461 1 196 . 1 1 20 20 ASN H H 1 8.593 0.003 . 1 . . . A 60 ASN H . 25461 1 197 . 1 1 20 20 ASN HA H 1 4.737 0.004 . 1 . . . A 60 ASN HA . 25461 1 198 . 1 1 20 20 ASN HB2 H 1 2.866 0.005 . 2 . . . A 60 ASN HB2 . 25461 1 199 . 1 1 20 20 ASN HB3 H 1 2.768 0.009 . 2 . . . A 60 ASN HB3 . 25461 1 200 . 1 1 20 20 ASN HD21 H 1 6.926 0.004 . 2 . . . A 60 ASN HD21 . 25461 1 201 . 1 1 20 20 ASN HD22 H 1 7.647 0.003 . 2 . . . A 60 ASN HD22 . 25461 1 202 . 1 1 20 20 ASN C C 13 175.521 0.005 . 1 . . . A 60 ASN C . 25461 1 203 . 1 1 20 20 ASN CA C 13 53.375 0.053 . 1 . . . A 60 ASN CA . 25461 1 204 . 1 1 20 20 ASN CB C 13 39.098 0.009 . 1 . . . A 60 ASN CB . 25461 1 205 . 1 1 20 20 ASN N N 15 122.487 0.010 . 1 . . . A 60 ASN N . 25461 1 206 . 1 1 20 20 ASN ND2 N 15 113.326 0.003 . 1 . . . A 60 ASN ND2 . 25461 1 207 . 1 1 21 21 GLY H H 1 8.407 0.002 . 1 . . . A 61 GLY H . 25461 1 208 . 1 1 21 21 GLY HA2 H 1 3.940 0.004 . 2 . . . A 61 GLY HA2 . 25461 1 209 . 1 1 21 21 GLY HA3 H 1 3.940 0.004 . 2 . . . A 61 GLY HA3 . 25461 1 210 . 1 1 21 21 GLY C C 13 174.361 0.009 . 1 . . . A 61 GLY C . 25461 1 211 . 1 1 21 21 GLY CA C 13 45.499 0.027 . 1 . . . A 61 GLY CA . 25461 1 212 . 1 1 21 21 GLY N N 15 109.681 0.026 . 1 . . . A 61 GLY N . 25461 1 213 . 1 1 22 22 GLY H H 1 8.209 0.004 . 1 . . . A 62 GLY H . 25461 1 214 . 1 1 22 22 GLY HA2 H 1 3.915 0.000 . 2 . . . A 62 GLY HA2 . 25461 1 215 . 1 1 22 22 GLY HA3 H 1 3.857 0.006 . 2 . . . A 62 GLY HA3 . 25461 1 216 . 1 1 22 22 GLY C C 13 173.866 0.009 . 1 . . . A 62 GLY C . 25461 1 217 . 1 1 22 22 GLY CA C 13 45.112 0.009 . 1 . . . A 62 GLY CA . 25461 1 218 . 1 1 22 22 GLY N N 15 108.197 0.010 . 1 . . . A 62 GLY N . 25461 1 219 . 1 1 23 23 HIS H H 1 8.587 0.002 . 1 . . . A 63 HIS H . 25461 1 220 . 1 1 23 23 HIS HA H 1 4.799 0.000 . 1 . . . A 63 HIS HA . 25461 1 221 . 1 1 23 23 HIS HB2 H 1 3.076 0.000 . 2 . . . A 63 HIS HB2 . 25461 1 222 . 1 1 23 23 HIS HB3 H 1 2.978 0.000 . 2 . . . A 63 HIS HB3 . 25461 1 223 . 1 1 23 23 HIS HD2 H 1 6.963 0.003 . 1 . . . A 63 HIS HD2 . 25461 1 224 . 1 1 23 23 HIS HE1 H 1 7.925 0.001 . 1 . . . A 63 HIS HE1 . 25461 1 225 . 1 1 23 23 HIS C C 13 173.562 0.000 . 1 . . . A 63 HIS C . 25461 1 226 . 1 1 23 23 HIS CA C 13 54.846 0.007 . 1 . . . A 63 HIS CA . 25461 1 227 . 1 1 23 23 HIS CB C 13 30.172 0.024 . 1 . . . A 63 HIS CB . 25461 1 228 . 1 1 23 23 HIS CD2 C 13 120.656 0.062 . 1 . . . A 63 HIS CD2 . 25461 1 229 . 1 1 23 23 HIS CE1 C 13 138.456 0.106 . 1 . . . A 63 HIS CE1 . 25461 1 230 . 1 1 23 23 HIS N N 15 121.370 0.021 . 1 . . . A 63 HIS N . 25461 1 231 . 1 1 23 23 HIS ND1 N 15 216.642 0.000 . 1 . . . A 63 HIS ND1 . 25461 1 232 . 1 1 23 23 HIS NE2 N 15 178.911 0.011 . 1 . . . A 63 HIS NE2 . 25461 1 233 . 1 1 24 24 PRO HA H 1 4.461 0.004 . 1 . . . A 64 PRO HA . 25461 1 234 . 1 1 24 24 PRO HB2 H 1 2.270 0.000 . 2 . . . A 64 PRO HB2 . 25461 1 235 . 1 1 24 24 PRO HB3 H 1 1.890 0.000 . 2 . . . A 64 PRO HB3 . 25461 1 236 . 1 1 24 24 PRO HG2 H 1 2.131 0.000 . 2 . . . A 64 PRO HG2 . 25461 1 237 . 1 1 24 24 PRO HG3 H 1 2.060 0.000 . 2 . . . A 64 PRO HG3 . 25461 1 238 . 1 1 24 24 PRO HD2 H 1 3.893 0.002 . 2 . . . A 64 PRO HD2 . 25461 1 239 . 1 1 24 24 PRO HD3 H 1 3.771 0.002 . 2 . . . A 64 PRO HD3 . 25461 1 240 . 1 1 24 24 PRO C C 13 176.406 0.001 . 1 . . . A 64 PRO C . 25461 1 241 . 1 1 24 24 PRO CA C 13 63.088 0.060 . 1 . . . A 64 PRO CA . 25461 1 242 . 1 1 24 24 PRO CB C 13 32.003 0.008 . 1 . . . A 64 PRO CB . 25461 1 243 . 1 1 24 24 PRO CG C 13 27.515 0.000 . 1 . . . A 64 PRO CG . 25461 1 244 . 1 1 24 24 PRO CD C 13 50.682 0.014 . 1 . . . A 64 PRO CD . 25461 1 245 . 1 1 25 25 VAL H H 1 8.436 0.002 . 1 . . . A 65 VAL H . 25461 1 246 . 1 1 25 25 VAL HA H 1 4.354 0.004 . 1 . . . A 65 VAL HA . 25461 1 247 . 1 1 25 25 VAL HB H 1 2.014 0.004 . 1 . . . A 65 VAL HB . 25461 1 248 . 1 1 25 25 VAL HG11 H 1 0.960 0.005 . 2 . . . A 65 VAL HG11 . 25461 1 249 . 1 1 25 25 VAL HG12 H 1 0.960 0.005 . 2 . . . A 65 VAL HG12 . 25461 1 250 . 1 1 25 25 VAL HG13 H 1 0.960 0.005 . 2 . . . A 65 VAL HG13 . 25461 1 251 . 1 1 25 25 VAL HG21 H 1 0.959 0.003 . 2 . . . A 65 VAL HG21 . 25461 1 252 . 1 1 25 25 VAL HG22 H 1 0.959 0.003 . 2 . . . A 65 VAL HG22 . 25461 1 253 . 1 1 25 25 VAL HG23 H 1 0.959 0.003 . 2 . . . A 65 VAL HG23 . 25461 1 254 . 1 1 25 25 VAL C C 13 176.217 0.009 . 1 . . . A 65 VAL C . 25461 1 255 . 1 1 25 25 VAL CA C 13 62.233 0.042 . 1 . . . A 65 VAL CA . 25461 1 256 . 1 1 25 25 VAL CB C 13 34.354 0.017 . 1 . . . A 65 VAL CB . 25461 1 257 . 1 1 25 25 VAL CG1 C 13 23.561 0.014 . 1 . . . A 65 VAL CG1 . 25461 1 258 . 1 1 25 25 VAL CG2 C 13 22.231 0.062 . 1 . . . A 65 VAL CG2 . 25461 1 259 . 1 1 25 25 VAL N N 15 122.214 0.015 . 1 . . . A 65 VAL N . 25461 1 260 . 1 1 26 26 THR H H 1 7.765 0.004 . 1 . . . A 66 THR H . 25461 1 261 . 1 1 26 26 THR HA H 1 4.844 0.001 . 1 . . . A 66 THR HA . 25461 1 262 . 1 1 26 26 THR HB H 1 4.772 0.000 . 1 . . . A 66 THR HB . 25461 1 263 . 1 1 26 26 THR HG21 H 1 1.286 0.000 . 1 . . . A 66 THR HG21 . 25461 1 264 . 1 1 26 26 THR HG22 H 1 1.286 0.000 . 1 . . . A 66 THR HG22 . 25461 1 265 . 1 1 26 26 THR HG23 H 1 1.286 0.000 . 1 . . . A 66 THR HG23 . 25461 1 266 . 1 1 26 26 THR C C 13 175.632 0.007 . 1 . . . A 66 THR C . 25461 1 267 . 1 1 26 26 THR CA C 13 59.250 0.033 . 1 . . . A 66 THR CA . 25461 1 268 . 1 1 26 26 THR CB C 13 71.632 0.006 . 1 . . . A 66 THR CB . 25461 1 269 . 1 1 26 26 THR CG2 C 13 21.741 0.000 . 1 . . . A 66 THR CG2 . 25461 1 270 . 1 1 26 26 THR N N 15 118.215 0.009 . 1 . . . A 66 THR N . 25461 1 271 . 1 1 27 27 THR H H 1 8.901 0.002 . 1 . . . A 67 THR H . 25461 1 272 . 1 1 27 27 THR HA H 1 3.846 0.005 . 1 . . . A 67 THR HA . 25461 1 273 . 1 1 27 27 THR HB H 1 4.125 0.000 . 1 . . . A 67 THR HB . 25461 1 274 . 1 1 27 27 THR HG21 H 1 1.274 0.007 . 1 . . . A 67 THR HG21 . 25461 1 275 . 1 1 27 27 THR HG22 H 1 1.274 0.007 . 1 . . . A 67 THR HG22 . 25461 1 276 . 1 1 27 27 THR HG23 H 1 1.274 0.007 . 1 . . . A 67 THR HG23 . 25461 1 277 . 1 1 27 27 THR C C 13 176.323 0.004 . 1 . . . A 67 THR C . 25461 1 278 . 1 1 27 27 THR CA C 13 66.206 0.011 . 1 . . . A 67 THR CA . 25461 1 279 . 1 1 27 27 THR CB C 13 68.417 0.022 . 1 . . . A 67 THR CB . 25461 1 280 . 1 1 27 27 THR CG2 C 13 22.075 0.279 . 1 . . . A 67 THR CG2 . 25461 1 281 . 1 1 27 27 THR N N 15 116.809 0.007 . 1 . . . A 67 THR N . 25461 1 282 . 1 1 28 28 GLN H H 1 8.290 0.002 . 1 . . . A 68 GLN H . 25461 1 283 . 1 1 28 28 GLN HA H 1 4.083 0.006 . 1 . . . A 68 GLN HA . 25461 1 284 . 1 1 28 28 GLN HB2 H 1 1.970 0.000 . 2 . . . A 68 GLN HB2 . 25461 1 285 . 1 1 28 28 GLN HB3 H 1 2.121 0.000 . 2 . . . A 68 GLN HB3 . 25461 1 286 . 1 1 28 28 GLN HG2 H 1 2.435 0.000 . 2 . . . A 68 GLN HG2 . 25461 1 287 . 1 1 28 28 GLN HG3 H 1 2.435 0.000 . 2 . . . A 68 GLN HG3 . 25461 1 288 . 1 1 28 28 GLN HE21 H 1 7.556 0.000 . 2 . . . A 68 GLN HE21 . 25461 1 289 . 1 1 28 28 GLN HE22 H 1 6.852 0.000 . 2 . . . A 68 GLN HE22 . 25461 1 290 . 1 1 28 28 GLN C C 13 179.056 0.006 . 1 . . . A 68 GLN C . 25461 1 291 . 1 1 28 28 GLN CA C 13 59.654 0.026 . 1 . . . A 68 GLN CA . 25461 1 292 . 1 1 28 28 GLN CB C 13 27.931 0.021 . 1 . . . A 68 GLN CB . 25461 1 293 . 1 1 28 28 GLN CG C 13 34.289 0.000 . 1 . . . A 68 GLN CG . 25461 1 294 . 1 1 28 28 GLN N N 15 120.255 0.004 . 1 . . . A 68 GLN N . 25461 1 295 . 1 1 28 28 GLN NE2 N 15 112.488 0.000 . 1 . . . A 68 GLN NE2 . 25461 1 296 . 1 1 29 29 MET H H 1 7.718 0.005 . 1 . . . A 69 MET H . 25461 1 297 . 1 1 29 29 MET HA H 1 3.918 0.005 . 1 . . . A 69 MET HA . 25461 1 298 . 1 1 29 29 MET HB2 H 1 2.271 0.000 . 2 . . . A 69 MET HB2 . 25461 1 299 . 1 1 29 29 MET HB3 H 1 2.142 0.000 . 2 . . . A 69 MET HB3 . 25461 1 300 . 1 1 29 29 MET HG2 H 1 2.690 0.000 . 2 . . . A 69 MET HG2 . 25461 1 301 . 1 1 29 29 MET HG3 H 1 2.547 0.000 . 2 . . . A 69 MET HG3 . 25461 1 302 . 1 1 29 29 MET HE1 H 1 2.184 0.000 . 1 . . . A 69 MET HE1 . 25461 1 303 . 1 1 29 29 MET HE2 H 1 2.184 0.000 . 1 . . . A 69 MET HE2 . 25461 1 304 . 1 1 29 29 MET HE3 H 1 2.184 0.000 . 1 . . . A 69 MET HE3 . 25461 1 305 . 1 1 29 29 MET C C 13 177.390 0.006 . 1 . . . A 69 MET C . 25461 1 306 . 1 1 29 29 MET CA C 13 59.757 0.012 . 1 . . . A 69 MET CA . 25461 1 307 . 1 1 29 29 MET CB C 13 35.178 0.011 . 1 . . . A 69 MET CB . 25461 1 308 . 1 1 29 29 MET CG C 13 31.780 0.000 . 1 . . . A 69 MET CG . 25461 1 309 . 1 1 29 29 MET CE C 13 16.582 0.000 . 1 . . . A 69 MET CE . 25461 1 310 . 1 1 29 29 MET N N 15 120.434 0.007 . 1 . . . A 69 MET N . 25461 1 311 . 1 1 30 30 VAL H H 1 7.322 0.005 . 1 . . . A 70 VAL H . 25461 1 312 . 1 1 30 30 VAL HA H 1 3.334 0.006 . 1 . . . A 70 VAL HA . 25461 1 313 . 1 1 30 30 VAL HB H 1 2.245 0.004 . 1 . . . A 70 VAL HB . 25461 1 314 . 1 1 30 30 VAL HG11 H 1 0.905 0.000 . 2 . . . A 70 VAL HG11 . 25461 1 315 . 1 1 30 30 VAL HG12 H 1 0.905 0.000 . 2 . . . A 70 VAL HG12 . 25461 1 316 . 1 1 30 30 VAL HG13 H 1 0.905 0.000 . 2 . . . A 70 VAL HG13 . 25461 1 317 . 1 1 30 30 VAL HG21 H 1 0.885 0.001 . 2 . . . A 70 VAL HG21 . 25461 1 318 . 1 1 30 30 VAL HG22 H 1 0.885 0.001 . 2 . . . A 70 VAL HG22 . 25461 1 319 . 1 1 30 30 VAL HG23 H 1 0.885 0.001 . 2 . . . A 70 VAL HG23 . 25461 1 320 . 1 1 30 30 VAL C C 13 177.985 0.008 . 1 . . . A 70 VAL C . 25461 1 321 . 1 1 30 30 VAL CA C 13 66.374 0.022 . 1 . . . A 70 VAL CA . 25461 1 322 . 1 1 30 30 VAL CB C 13 31.689 0.018 . 1 . . . A 70 VAL CB . 25461 1 323 . 1 1 30 30 VAL CG1 C 13 22.827 0.000 . 1 . . . A 70 VAL CG1 . 25461 1 324 . 1 1 30 30 VAL CG2 C 13 20.540 0.000 . 1 . . . A 70 VAL CG2 . 25461 1 325 . 1 1 30 30 VAL N N 15 118.137 0.011 . 1 . . . A 70 VAL N . 25461 1 326 . 1 1 31 31 GLU H H 1 8.446 0.004 . 1 . . . A 71 GLU H . 25461 1 327 . 1 1 31 31 GLU HA H 1 3.932 0.004 . 1 . . . A 71 GLU HA . 25461 1 328 . 1 1 31 31 GLU HB2 H 1 1.979 0.000 . 2 . . . A 71 GLU HB2 . 25461 1 329 . 1 1 31 31 GLU HB3 H 1 1.979 0.000 . 2 . . . A 71 GLU HB3 . 25461 1 330 . 1 1 31 31 GLU HG2 H 1 2.401 0.004 . 2 . . . A 71 GLU HG2 . 25461 1 331 . 1 1 31 31 GLU HG3 H 1 2.188 0.005 . 2 . . . A 71 GLU HG3 . 25461 1 332 . 1 1 31 31 GLU C C 13 178.984 0.004 . 1 . . . A 71 GLU C . 25461 1 333 . 1 1 31 31 GLU CA C 13 59.328 0.009 . 1 . . . A 71 GLU CA . 25461 1 334 . 1 1 31 31 GLU CB C 13 29.582 0.048 . 1 . . . A 71 GLU CB . 25461 1 335 . 1 1 31 31 GLU CG C 13 36.666 0.023 . 1 . . . A 71 GLU CG . 25461 1 336 . 1 1 31 31 GLU N N 15 118.717 0.008 . 1 . . . A 71 GLU N . 25461 1 337 . 1 1 32 32 THR H H 1 8.055 0.002 . 1 . . . A 72 THR H . 25461 1 338 . 1 1 32 32 THR HA H 1 3.885 0.006 . 1 . . . A 72 THR HA . 25461 1 339 . 1 1 32 32 THR HB H 1 4.321 0.000 . 1 . . . A 72 THR HB . 25461 1 340 . 1 1 32 32 THR HG21 H 1 1.206 0.007 . 1 . . . A 72 THR HG21 . 25461 1 341 . 1 1 32 32 THR HG22 H 1 1.206 0.007 . 1 . . . A 72 THR HG22 . 25461 1 342 . 1 1 32 32 THR HG23 H 1 1.206 0.007 . 1 . . . A 72 THR HG23 . 25461 1 343 . 1 1 32 32 THR C C 13 176.837 0.004 . 1 . . . A 72 THR C . 25461 1 344 . 1 1 32 32 THR CA C 13 66.924 0.021 . 1 . . . A 72 THR CA . 25461 1 345 . 1 1 32 32 THR CB C 13 68.594 0.030 . 1 . . . A 72 THR CB . 25461 1 346 . 1 1 32 32 THR CG2 C 13 21.649 0.001 . 1 . . . A 72 THR CG2 . 25461 1 347 . 1 1 32 32 THR N N 15 116.413 0.007 . 1 . . . A 72 THR N . 25461 1 348 . 1 1 33 33 VAL H H 1 7.521 0.004 . 1 . . . A 73 VAL H . 25461 1 349 . 1 1 33 33 VAL HA H 1 3.361 0.010 . 1 . . . A 73 VAL HA . 25461 1 350 . 1 1 33 33 VAL HB H 1 2.115 0.002 . 1 . . . A 73 VAL HB . 25461 1 351 . 1 1 33 33 VAL HG11 H 1 1.101 0.003 . 2 . . . A 73 VAL HG11 . 25461 1 352 . 1 1 33 33 VAL HG12 H 1 1.101 0.003 . 2 . . . A 73 VAL HG12 . 25461 1 353 . 1 1 33 33 VAL HG13 H 1 1.101 0.003 . 2 . . . A 73 VAL HG13 . 25461 1 354 . 1 1 33 33 VAL HG21 H 1 0.638 0.004 . 2 . . . A 73 VAL HG21 . 25461 1 355 . 1 1 33 33 VAL HG22 H 1 0.638 0.004 . 2 . . . A 73 VAL HG22 . 25461 1 356 . 1 1 33 33 VAL HG23 H 1 0.638 0.004 . 2 . . . A 73 VAL HG23 . 25461 1 357 . 1 1 33 33 VAL C C 13 177.119 0.007 . 1 . . . A 73 VAL C . 25461 1 358 . 1 1 33 33 VAL CA C 13 66.473 0.027 . 1 . . . A 73 VAL CA . 25461 1 359 . 1 1 33 33 VAL CB C 13 30.913 0.027 . 1 . . . A 73 VAL CB . 25461 1 360 . 1 1 33 33 VAL CG1 C 13 24.087 0.014 . 1 . . . A 73 VAL CG1 . 25461 1 361 . 1 1 33 33 VAL CG2 C 13 22.267 0.002 . 1 . . . A 73 VAL CG2 . 25461 1 362 . 1 1 33 33 VAL N N 15 119.440 0.007 . 1 . . . A 73 VAL N . 25461 1 363 . 1 1 34 34 GLN H H 1 8.884 0.002 . 1 . . . A 74 GLN H . 25461 1 364 . 1 1 34 34 GLN HA H 1 3.641 0.004 . 1 . . . A 74 GLN HA . 25461 1 365 . 1 1 34 34 GLN HB2 H 1 1.953 0.002 . 2 . . . A 74 GLN HB2 . 25461 1 366 . 1 1 34 34 GLN HB3 H 1 2.055 0.000 . 2 . . . A 74 GLN HB3 . 25461 1 367 . 1 1 34 34 GLN HG2 H 1 2.192 0.008 . 2 . . . A 74 GLN HG2 . 25461 1 368 . 1 1 34 34 GLN HG3 H 1 2.269 0.001 . 2 . . . A 74 GLN HG3 . 25461 1 369 . 1 1 34 34 GLN HE21 H 1 7.066 0.000 . 2 . . . A 74 GLN HE21 . 25461 1 370 . 1 1 34 34 GLN HE22 H 1 6.940 0.000 . 2 . . . A 74 GLN HE22 . 25461 1 371 . 1 1 34 34 GLN C C 13 177.761 0.005 . 1 . . . A 74 GLN C . 25461 1 372 . 1 1 34 34 GLN CA C 13 58.724 0.013 . 1 . . . A 74 GLN CA . 25461 1 373 . 1 1 34 34 GLN CB C 13 29.297 0.027 . 1 . . . A 74 GLN CB . 25461 1 374 . 1 1 34 34 GLN CG C 13 34.452 0.018 . 1 . . . A 74 GLN CG . 25461 1 375 . 1 1 34 34 GLN N N 15 120.105 0.023 . 1 . . . A 74 GLN N . 25461 1 376 . 1 1 34 34 GLN NE2 N 15 112.455 0.002 . 1 . . . A 74 GLN NE2 . 25461 1 377 . 1 1 35 35 ASN H H 1 7.472 0.005 . 1 . . . A 75 ASN H . 25461 1 378 . 1 1 35 35 ASN HA H 1 4.362 0.005 . 1 . . . A 75 ASN HA . 25461 1 379 . 1 1 35 35 ASN HB2 H 1 2.768 0.001 . 2 . . . A 75 ASN HB2 . 25461 1 380 . 1 1 35 35 ASN HB3 H 1 2.816 0.007 . 2 . . . A 75 ASN HB3 . 25461 1 381 . 1 1 35 35 ASN HD21 H 1 6.976 0.000 . 2 . . . A 75 ASN HD21 . 25461 1 382 . 1 1 35 35 ASN HD22 H 1 7.545 0.000 . 2 . . . A 75 ASN HD22 . 25461 1 383 . 1 1 35 35 ASN C C 13 176.122 0.040 . 1 . . . A 75 ASN C . 25461 1 384 . 1 1 35 35 ASN CA C 13 55.491 0.071 . 1 . . . A 75 ASN CA . 25461 1 385 . 1 1 35 35 ASN CB C 13 38.972 0.019 . 1 . . . A 75 ASN CB . 25461 1 386 . 1 1 35 35 ASN N N 15 113.460 0.010 . 1 . . . A 75 ASN N . 25461 1 387 . 1 1 35 35 ASN ND2 N 15 113.160 0.001 . 1 . . . A 75 ASN ND2 . 25461 1 388 . 1 1 36 36 LEU H H 1 7.130 0.006 . 1 . . . A 76 LEU H . 25461 1 389 . 1 1 36 36 LEU HA H 1 4.307 0.009 . 1 . . . A 76 LEU HA . 25461 1 390 . 1 1 36 36 LEU HB2 H 1 1.700 0.006 . 2 . . . A 76 LEU HB2 . 25461 1 391 . 1 1 36 36 LEU HB3 H 1 1.535 0.004 . 2 . . . A 76 LEU HB3 . 25461 1 392 . 1 1 36 36 LEU HG H 1 1.785 0.001 . 1 . . . A 76 LEU HG . 25461 1 393 . 1 1 36 36 LEU HD11 H 1 0.906 0.000 . 2 . . . A 76 LEU HD11 . 25461 1 394 . 1 1 36 36 LEU HD12 H 1 0.906 0.000 . 2 . . . A 76 LEU HD12 . 25461 1 395 . 1 1 36 36 LEU HD13 H 1 0.906 0.000 . 2 . . . A 76 LEU HD13 . 25461 1 396 . 1 1 36 36 LEU HD21 H 1 0.884 0.001 . 2 . . . A 76 LEU HD21 . 25461 1 397 . 1 1 36 36 LEU HD22 H 1 0.884 0.001 . 2 . . . A 76 LEU HD22 . 25461 1 398 . 1 1 36 36 LEU HD23 H 1 0.884 0.001 . 2 . . . A 76 LEU HD23 . 25461 1 399 . 1 1 36 36 LEU C C 13 175.358 0.013 . 1 . . . A 76 LEU C . 25461 1 400 . 1 1 36 36 LEU CA C 13 55.378 0.026 . 1 . . . A 76 LEU CA . 25461 1 401 . 1 1 36 36 LEU CB C 13 43.436 0.015 . 1 . . . A 76 LEU CB . 25461 1 402 . 1 1 36 36 LEU CG C 13 26.782 0.053 . 1 . . . A 76 LEU CG . 25461 1 403 . 1 1 36 36 LEU CD1 C 13 23.140 0.000 . 1 . . . A 76 LEU CD1 . 25461 1 404 . 1 1 36 36 LEU CD2 C 13 26.083 0.034 . 1 . . . A 76 LEU CD2 . 25461 1 405 . 1 1 36 36 LEU N N 15 118.225 0.008 . 1 . . . A 76 LEU N . 25461 1 406 . 1 1 37 37 ALA H H 1 7.784 0.005 . 1 . . . A 77 ALA H . 25461 1 407 . 1 1 37 37 ALA HA H 1 4.446 0.000 . 1 . . . A 77 ALA HA . 25461 1 408 . 1 1 37 37 ALA HB1 H 1 0.008 0.000 . 1 . . . A 77 ALA HB1 . 25461 1 409 . 1 1 37 37 ALA HB2 H 1 0.008 0.000 . 1 . . . A 77 ALA HB2 . 25461 1 410 . 1 1 37 37 ALA HB3 H 1 0.008 0.000 . 1 . . . A 77 ALA HB3 . 25461 1 411 . 1 1 37 37 ALA C C 13 173.976 0.008 . 1 . . . A 77 ALA C . 25461 1 412 . 1 1 37 37 ALA CA C 13 49.422 0.001 . 1 . . . A 77 ALA CA . 25461 1 413 . 1 1 37 37 ALA CB C 13 17.383 0.004 . 1 . . . A 77 ALA CB . 25461 1 414 . 1 1 37 37 ALA N N 15 122.753 0.009 . 1 . . . A 77 ALA N . 25461 1 415 . 1 1 38 38 PRO HA H 1 4.386 0.004 . 1 . . . A 78 PRO HA . 25461 1 416 . 1 1 38 38 PRO HB2 H 1 1.899 0.002 . 2 . . . A 78 PRO HB2 . 25461 1 417 . 1 1 38 38 PRO HB3 H 1 2.355 0.004 . 2 . . . A 78 PRO HB3 . 25461 1 418 . 1 1 38 38 PRO HG2 H 1 1.910 0.011 . 2 . . . A 78 PRO HG2 . 25461 1 419 . 1 1 38 38 PRO HG3 H 1 1.910 0.011 . 2 . . . A 78 PRO HG3 . 25461 1 420 . 1 1 38 38 PRO HD2 H 1 3.636 0.000 . 2 . . . A 78 PRO HD2 . 25461 1 421 . 1 1 38 38 PRO HD3 H 1 3.282 0.003 . 2 . . . A 78 PRO HD3 . 25461 1 422 . 1 1 38 38 PRO C C 13 177.311 0.002 . 1 . . . A 78 PRO C . 25461 1 423 . 1 1 38 38 PRO CA C 13 64.598 0.003 . 1 . . . A 78 PRO CA . 25461 1 424 . 1 1 38 38 PRO CB C 13 32.141 0.007 . 1 . . . A 78 PRO CB . 25461 1 425 . 1 1 38 38 PRO CG C 13 27.334 0.009 . 1 . . . A 78 PRO CG . 25461 1 426 . 1 1 38 38 PRO CD C 13 50.428 0.026 . 1 . . . A 78 PRO CD . 25461 1 427 . 1 1 39 39 ASN H H 1 7.868 0.005 . 1 . . . A 79 ASN H . 25461 1 428 . 1 1 39 39 ASN HA H 1 4.754 0.004 . 1 . . . A 79 ASN HA . 25461 1 429 . 1 1 39 39 ASN HB2 H 1 2.966 0.004 . 2 . . . A 79 ASN HB2 . 25461 1 430 . 1 1 39 39 ASN HB3 H 1 2.966 0.004 . 2 . . . A 79 ASN HB3 . 25461 1 431 . 1 1 39 39 ASN HD21 H 1 7.116 0.000 . 2 . . . A 79 ASN HD21 . 25461 1 432 . 1 1 39 39 ASN HD22 H 1 7.692 0.000 . 2 . . . A 79 ASN HD22 . 25461 1 433 . 1 1 39 39 ASN C C 13 175.765 0.007 . 1 . . . A 79 ASN C . 25461 1 434 . 1 1 39 39 ASN CA C 13 53.162 0.048 . 1 . . . A 79 ASN CA . 25461 1 435 . 1 1 39 39 ASN CB C 13 37.882 0.014 . 1 . . . A 79 ASN CB . 25461 1 436 . 1 1 39 39 ASN N N 15 111.571 0.014 . 1 . . . A 79 ASN N . 25461 1 437 . 1 1 39 39 ASN ND2 N 15 113.639 0.000 . 1 . . . A 79 ASN ND2 . 25461 1 438 . 1 1 40 40 LEU H H 1 7.176 0.005 . 1 . . . A 80 LEU H . 25461 1 439 . 1 1 40 40 LEU HA H 1 4.368 0.006 . 1 . . . A 80 LEU HA . 25461 1 440 . 1 1 40 40 LEU HB2 H 1 1.473 0.002 . 2 . . . A 80 LEU HB2 . 25461 1 441 . 1 1 40 40 LEU HB3 H 1 0.876 0.005 . 2 . . . A 80 LEU HB3 . 25461 1 442 . 1 1 40 40 LEU HG H 1 1.072 0.000 . 1 . . . A 80 LEU HG . 25461 1 443 . 1 1 40 40 LEU HD11 H 1 -0.241 0.004 . 2 . . . A 80 LEU HD11 . 25461 1 444 . 1 1 40 40 LEU HD12 H 1 -0.241 0.004 . 2 . . . A 80 LEU HD12 . 25461 1 445 . 1 1 40 40 LEU HD13 H 1 -0.241 0.004 . 2 . . . A 80 LEU HD13 . 25461 1 446 . 1 1 40 40 LEU HD21 H 1 0.401 0.003 . 2 . . . A 80 LEU HD21 . 25461 1 447 . 1 1 40 40 LEU HD22 H 1 0.401 0.003 . 2 . . . A 80 LEU HD22 . 25461 1 448 . 1 1 40 40 LEU HD23 H 1 0.401 0.003 . 2 . . . A 80 LEU HD23 . 25461 1 449 . 1 1 40 40 LEU C C 13 175.715 0.000 . 1 . . . A 80 LEU C . 25461 1 450 . 1 1 40 40 LEU CA C 13 53.849 0.038 . 1 . . . A 80 LEU CA . 25461 1 451 . 1 1 40 40 LEU CB C 13 43.172 0.009 . 1 . . . A 80 LEU CB . 25461 1 452 . 1 1 40 40 LEU CG C 13 25.780 0.000 . 1 . . . A 80 LEU CG . 25461 1 453 . 1 1 40 40 LEU CD1 C 13 25.111 0.038 . 1 . . . A 80 LEU CD1 . 25461 1 454 . 1 1 40 40 LEU CD2 C 13 22.470 0.001 . 1 . . . A 80 LEU CD2 . 25461 1 455 . 1 1 40 40 LEU N N 15 119.219 0.013 . 1 . . . A 80 LEU N . 25461 1 456 . 1 1 41 41 HIS H H 1 9.023 0.003 . 1 . . . A 81 HIS H . 25461 1 457 . 1 1 41 41 HIS HA H 1 4.742 0.003 . 1 . . . A 81 HIS HA . 25461 1 458 . 1 1 41 41 HIS HB2 H 1 3.426 0.006 . 2 . . . A 81 HIS HB2 . 25461 1 459 . 1 1 41 41 HIS HB3 H 1 2.942 0.004 . 2 . . . A 81 HIS HB3 . 25461 1 460 . 1 1 41 41 HIS HD2 H 1 7.441 0.002 . 1 . . . A 81 HIS HD2 . 25461 1 461 . 1 1 41 41 HIS HE1 H 1 8.036 0.004 . 1 . . . A 81 HIS HE1 . 25461 1 462 . 1 1 41 41 HIS C C 13 176.185 0.000 . 1 . . . A 81 HIS C . 25461 1 463 . 1 1 41 41 HIS CA C 13 55.492 0.035 . 1 . . . A 81 HIS CA . 25461 1 464 . 1 1 41 41 HIS CB C 13 33.176 0.006 . 1 . . . A 81 HIS CB . 25461 1 465 . 1 1 41 41 HIS CD2 C 13 119.332 0.059 . 1 . . . A 81 HIS CD2 . 25461 1 466 . 1 1 41 41 HIS CE1 C 13 138.823 0.093 . 1 . . . A 81 HIS CE1 . 25461 1 467 . 1 1 41 41 HIS N N 15 123.894 0.014 . 1 . . . A 81 HIS N . 25461 1 468 . 1 1 41 41 HIS ND1 N 15 248.403 0.005 . 1 . . . A 81 HIS ND1 . 25461 1 469 . 1 1 41 41 HIS NE2 N 15 167.145 0.008 . 1 . . . A 81 HIS NE2 . 25461 1 470 . 1 1 42 42 PRO HA H 1 4.013 0.005 . 1 . . . A 82 PRO HA . 25461 1 471 . 1 1 42 42 PRO HB2 H 1 2.276 0.003 . 2 . . . A 82 PRO HB2 . 25461 1 472 . 1 1 42 42 PRO HB3 H 1 2.276 0.003 . 2 . . . A 82 PRO HB3 . 25461 1 473 . 1 1 42 42 PRO HG2 H 1 1.970 0.006 . 2 . . . A 82 PRO HG2 . 25461 1 474 . 1 1 42 42 PRO HG3 H 1 1.970 0.006 . 2 . . . A 82 PRO HG3 . 25461 1 475 . 1 1 42 42 PRO HD2 H 1 3.649 0.002 . 2 . . . A 82 PRO HD2 . 25461 1 476 . 1 1 42 42 PRO HD3 H 1 2.538 0.004 . 2 . . . A 82 PRO HD3 . 25461 1 477 . 1 1 42 42 PRO C C 13 178.774 0.023 . 1 . . . A 82 PRO C . 25461 1 478 . 1 1 42 42 PRO CA C 13 66.395 0.051 . 1 . . . A 82 PRO CA . 25461 1 479 . 1 1 42 42 PRO CB C 13 32.035 0.048 . 1 . . . A 82 PRO CB . 25461 1 480 . 1 1 42 42 PRO CG C 13 27.712 0.033 . 1 . . . A 82 PRO CG . 25461 1 481 . 1 1 42 42 PRO CD C 13 50.558 0.030 . 1 . . . A 82 PRO CD . 25461 1 482 . 1 1 43 43 GLU H H 1 11.938 0.002 . 1 . . . A 83 GLU H . 25461 1 483 . 1 1 43 43 GLU HA H 1 4.410 0.006 . 1 . . . A 83 GLU HA . 25461 1 484 . 1 1 43 43 GLU HB2 H 1 1.938 0.009 . 2 . . . A 83 GLU HB2 . 25461 1 485 . 1 1 43 43 GLU HB3 H 1 2.061 0.010 . 2 . . . A 83 GLU HB3 . 25461 1 486 . 1 1 43 43 GLU HG2 H 1 2.467 0.005 . 2 . . . A 83 GLU HG2 . 25461 1 487 . 1 1 43 43 GLU HG3 H 1 2.467 0.005 . 2 . . . A 83 GLU HG3 . 25461 1 488 . 1 1 43 43 GLU C C 13 181.651 0.035 . 1 . . . A 83 GLU C . 25461 1 489 . 1 1 43 43 GLU CA C 13 59.229 0.013 . 1 . . . A 83 GLU CA . 25461 1 490 . 1 1 43 43 GLU CB C 13 29.296 0.016 . 1 . . . A 83 GLU CB . 25461 1 491 . 1 1 43 43 GLU CG C 13 36.806 0.010 . 1 . . . A 83 GLU CG . 25461 1 492 . 1 1 43 43 GLU N N 15 120.128 0.016 . 1 . . . A 83 GLU N . 25461 1 493 . 1 1 44 44 GLN H H 1 7.467 0.005 . 1 . . . A 84 GLN H . 25461 1 494 . 1 1 44 44 GLN HA H 1 3.981 0.001 . 1 . . . A 84 GLN HA . 25461 1 495 . 1 1 44 44 GLN HB2 H 1 2.583 0.001 . 2 . . . A 84 GLN HB2 . 25461 1 496 . 1 1 44 44 GLN HB3 H 1 1.724 0.000 . 2 . . . A 84 GLN HB3 . 25461 1 497 . 1 1 44 44 GLN HG2 H 1 1.254 0.000 . 2 . . . A 84 GLN HG2 . 25461 1 498 . 1 1 44 44 GLN HG3 H 1 0.756 0.002 . 2 . . . A 84 GLN HG3 . 25461 1 499 . 1 1 44 44 GLN HE21 H 1 7.247 0.000 . 2 . . . A 84 GLN HE21 . 25461 1 500 . 1 1 44 44 GLN HE22 H 1 7.609 0.000 . 2 . . . A 84 GLN HE22 . 25461 1 501 . 1 1 44 44 GLN C C 13 179.958 0.008 . 1 . . . A 84 GLN C . 25461 1 502 . 1 1 44 44 GLN CA C 13 58.950 0.037 . 1 . . . A 84 GLN CA . 25461 1 503 . 1 1 44 44 GLN CB C 13 30.670 0.009 . 1 . . . A 84 GLN CB . 25461 1 504 . 1 1 44 44 GLN CG C 13 34.281 0.006 . 1 . . . A 84 GLN CG . 25461 1 505 . 1 1 44 44 GLN N N 15 117.052 0.011 . 1 . . . A 84 GLN N . 25461 1 506 . 1 1 44 44 GLN NE2 N 15 115.816 0.000 . 1 . . . A 84 GLN NE2 . 25461 1 507 . 1 1 45 45 ILE H H 1 7.750 0.006 . 1 . . . A 85 ILE H . 25461 1 508 . 1 1 45 45 ILE HA H 1 3.333 0.007 . 1 . . . A 85 ILE HA . 25461 1 509 . 1 1 45 45 ILE HB H 1 1.970 0.003 . 1 . . . A 85 ILE HB . 25461 1 510 . 1 1 45 45 ILE HG12 H 1 0.462 0.006 . 2 . . . A 85 ILE HG12 . 25461 1 511 . 1 1 45 45 ILE HG13 H 1 1.534 0.004 . 2 . . . A 85 ILE HG13 . 25461 1 512 . 1 1 45 45 ILE HG21 H 1 0.960 0.003 . 1 . . . A 85 ILE HG21 . 25461 1 513 . 1 1 45 45 ILE HG22 H 1 0.960 0.003 . 1 . . . A 85 ILE HG22 . 25461 1 514 . 1 1 45 45 ILE HG23 H 1 0.960 0.003 . 1 . . . A 85 ILE HG23 . 25461 1 515 . 1 1 45 45 ILE HD11 H 1 0.613 0.003 . 1 . . . A 85 ILE HD11 . 25461 1 516 . 1 1 45 45 ILE HD12 H 1 0.613 0.003 . 1 . . . A 85 ILE HD12 . 25461 1 517 . 1 1 45 45 ILE HD13 H 1 0.613 0.003 . 1 . . . A 85 ILE HD13 . 25461 1 518 . 1 1 45 45 ILE C C 13 176.960 0.015 . 1 . . . A 85 ILE C . 25461 1 519 . 1 1 45 45 ILE CA C 13 66.528 0.006 . 1 . . . A 85 ILE CA . 25461 1 520 . 1 1 45 45 ILE CB C 13 37.812 0.007 . 1 . . . A 85 ILE CB . 25461 1 521 . 1 1 45 45 ILE CG1 C 13 29.995 0.015 . 1 . . . A 85 ILE CG1 . 25461 1 522 . 1 1 45 45 ILE CG2 C 13 19.092 0.014 . 1 . . . A 85 ILE CG2 . 25461 1 523 . 1 1 45 45 ILE CD1 C 13 12.884 0.003 . 1 . . . A 85 ILE CD1 . 25461 1 524 . 1 1 45 45 ILE N N 15 120.448 0.007 . 1 . . . A 85 ILE N . 25461 1 525 . 1 1 46 46 ARG H H 1 8.868 0.004 . 1 . . . A 86 ARG H . 25461 1 526 . 1 1 46 46 ARG HA H 1 3.723 0.004 . 1 . . . A 86 ARG HA . 25461 1 527 . 1 1 46 46 ARG HB2 H 1 1.927 0.000 . 2 . . . A 86 ARG HB2 . 25461 1 528 . 1 1 46 46 ARG HB3 H 1 1.927 0.000 . 2 . . . A 86 ARG HB3 . 25461 1 529 . 1 1 46 46 ARG HG2 H 1 1.590 0.000 . 2 . . . A 86 ARG HG2 . 25461 1 530 . 1 1 46 46 ARG HG3 H 1 1.590 0.000 . 2 . . . A 86 ARG HG3 . 25461 1 531 . 1 1 46 46 ARG HD2 H 1 3.276 0.000 . 2 . . . A 86 ARG HD2 . 25461 1 532 . 1 1 46 46 ARG HD3 H 1 3.276 0.000 . 2 . . . A 86 ARG HD3 . 25461 1 533 . 1 1 46 46 ARG HE H 1 7.872 0.000 . 1 . . . A 86 ARG HE . 25461 1 534 . 1 1 46 46 ARG C C 13 177.115 0.010 . 1 . . . A 86 ARG C . 25461 1 535 . 1 1 46 46 ARG CA C 13 60.819 0.016 . 1 . . . A 86 ARG CA . 25461 1 536 . 1 1 46 46 ARG CB C 13 30.226 0.008 . 1 . . . A 86 ARG CB . 25461 1 537 . 1 1 46 46 ARG CG C 13 27.799 0.019 . 1 . . . A 86 ARG CG . 25461 1 538 . 1 1 46 46 ARG CD C 13 42.939 0.014 . 1 . . . A 86 ARG CD . 25461 1 539 . 1 1 46 46 ARG N N 15 119.593 0.024 . 1 . . . A 86 ARG N . 25461 1 540 . 1 1 46 46 ARG NE N 15 83.375 0.000 . 1 . . . A 86 ARG NE . 25461 1 541 . 1 1 47 47 TYR H H 1 7.684 0.005 . 1 . . . A 87 TYR H . 25461 1 542 . 1 1 47 47 TYR HA H 1 4.500 0.004 . 1 . . . A 87 TYR HA . 25461 1 543 . 1 1 47 47 TYR HB2 H 1 3.196 0.005 . 2 . . . A 87 TYR HB2 . 25461 1 544 . 1 1 47 47 TYR HB3 H 1 3.014 0.001 . 2 . . . A 87 TYR HB3 . 25461 1 545 . 1 1 47 47 TYR HD1 H 1 7.222 0.002 . 1 . . . A 87 TYR HD1 . 25461 1 546 . 1 1 47 47 TYR HD2 H 1 7.222 0.002 . 1 . . . A 87 TYR HD2 . 25461 1 547 . 1 1 47 47 TYR HE1 H 1 6.796 0.004 . 1 . . . A 87 TYR HE1 . 25461 1 548 . 1 1 47 47 TYR HE2 H 1 6.796 0.004 . 1 . . . A 87 TYR HE2 . 25461 1 549 . 1 1 47 47 TYR C C 13 177.597 0.013 . 1 . . . A 87 TYR C . 25461 1 550 . 1 1 47 47 TYR CA C 13 60.123 0.024 . 1 . . . A 87 TYR CA . 25461 1 551 . 1 1 47 47 TYR CB C 13 38.435 0.010 . 1 . . . A 87 TYR CB . 25461 1 552 . 1 1 47 47 TYR CD2 C 13 133.296 0.008 . 1 . . . A 87 TYR CD2 . 25461 1 553 . 1 1 47 47 TYR CE2 C 13 118.028 0.000 . 1 . . . A 87 TYR CE2 . 25461 1 554 . 1 1 47 47 TYR N N 15 116.869 0.009 . 1 . . . A 87 TYR N . 25461 1 555 . 1 1 48 48 SER H H 1 7.510 0.005 . 1 . . . A 88 SER H . 25461 1 556 . 1 1 48 48 SER HA H 1 4.155 0.005 . 1 . . . A 88 SER HA . 25461 1 557 . 1 1 48 48 SER HB2 H 1 4.097 0.005 . 2 . . . A 88 SER HB2 . 25461 1 558 . 1 1 48 48 SER HB3 H 1 4.059 0.006 . 2 . . . A 88 SER HB3 . 25461 1 559 . 1 1 48 48 SER C C 13 177.666 0.030 . 1 . . . A 88 SER C . 25461 1 560 . 1 1 48 48 SER CA C 13 61.207 0.030 . 1 . . . A 88 SER CA . 25461 1 561 . 1 1 48 48 SER CB C 13 62.880 0.027 . 1 . . . A 88 SER CB . 25461 1 562 . 1 1 48 48 SER N N 15 110.655 0.013 . 1 . . . A 88 SER N . 25461 1 563 . 1 1 49 49 LEU H H 1 8.522 0.004 . 1 . . . A 89 LEU H . 25461 1 564 . 1 1 49 49 LEU HA H 1 4.193 0.006 . 1 . . . A 89 LEU HA . 25461 1 565 . 1 1 49 49 LEU HB2 H 1 2.019 0.003 . 2 . . . A 89 LEU HB2 . 25461 1 566 . 1 1 49 49 LEU HB3 H 1 1.272 0.003 . 2 . . . A 89 LEU HB3 . 25461 1 567 . 1 1 49 49 LEU HG H 1 1.893 0.001 . 1 . . . A 89 LEU HG . 25461 1 568 . 1 1 49 49 LEU HD11 H 1 0.782 0.001 . 2 . . . A 89 LEU HD11 . 25461 1 569 . 1 1 49 49 LEU HD12 H 1 0.782 0.001 . 2 . . . A 89 LEU HD12 . 25461 1 570 . 1 1 49 49 LEU HD13 H 1 0.782 0.001 . 2 . . . A 89 LEU HD13 . 25461 1 571 . 1 1 49 49 LEU HD21 H 1 0.763 0.002 . 2 . . . A 89 LEU HD21 . 25461 1 572 . 1 1 49 49 LEU HD22 H 1 0.763 0.002 . 2 . . . A 89 LEU HD22 . 25461 1 573 . 1 1 49 49 LEU HD23 H 1 0.763 0.002 . 2 . . . A 89 LEU HD23 . 25461 1 574 . 1 1 49 49 LEU C C 13 180.057 0.006 . 1 . . . A 89 LEU C . 25461 1 575 . 1 1 49 49 LEU CA C 13 57.377 0.081 . 1 . . . A 89 LEU CA . 25461 1 576 . 1 1 49 49 LEU CB C 13 43.345 0.011 . 1 . . . A 89 LEU CB . 25461 1 577 . 1 1 49 49 LEU CG C 13 27.134 0.032 . 1 . . . A 89 LEU CG . 25461 1 578 . 1 1 49 49 LEU CD1 C 13 22.904 0.005 . 1 . . . A 89 LEU CD1 . 25461 1 579 . 1 1 49 49 LEU CD2 C 13 28.315 0.018 . 1 . . . A 89 LEU CD2 . 25461 1 580 . 1 1 49 49 LEU N N 15 119.356 0.011 . 1 . . . A 89 LEU N . 25461 1 581 . 1 1 50 50 GLU H H 1 8.511 0.005 . 1 . . . A 90 GLU H . 25461 1 582 . 1 1 50 50 GLU HA H 1 4.116 0.003 . 1 . . . A 90 GLU HA . 25461 1 583 . 1 1 50 50 GLU HB2 H 1 2.229 0.004 . 2 . . . A 90 GLU HB2 . 25461 1 584 . 1 1 50 50 GLU HB3 H 1 2.037 0.002 . 2 . . . A 90 GLU HB3 . 25461 1 585 . 1 1 50 50 GLU HG2 H 1 2.614 0.003 . 2 . . . A 90 GLU HG2 . 25461 1 586 . 1 1 50 50 GLU HG3 H 1 2.336 0.002 . 2 . . . A 90 GLU HG3 . 25461 1 587 . 1 1 50 50 GLU C C 13 177.812 0.006 . 1 . . . A 90 GLU C . 25461 1 588 . 1 1 50 50 GLU CA C 13 59.042 0.015 . 1 . . . A 90 GLU CA . 25461 1 589 . 1 1 50 50 GLU CB C 13 29.992 0.025 . 1 . . . A 90 GLU CB . 25461 1 590 . 1 1 50 50 GLU CG C 13 37.281 0.035 . 1 . . . A 90 GLU CG . 25461 1 591 . 1 1 50 50 GLU N N 15 120.190 0.006 . 1 . . . A 90 GLU N . 25461 1 592 . 1 1 51 51 ASN H H 1 7.465 0.006 . 1 . . . A 91 ASN H . 25461 1 593 . 1 1 51 51 ASN HA H 1 4.686 0.003 . 1 . . . A 91 ASN HA . 25461 1 594 . 1 1 51 51 ASN HB2 H 1 2.790 0.006 . 2 . . . A 91 ASN HB2 . 25461 1 595 . 1 1 51 51 ASN HB3 H 1 2.671 0.003 . 2 . . . A 91 ASN HB3 . 25461 1 596 . 1 1 51 51 ASN HD21 H 1 5.646 0.000 . 2 . . . A 91 ASN HD21 . 25461 1 597 . 1 1 51 51 ASN HD22 H 1 7.111 0.000 . 2 . . . A 91 ASN HD22 . 25461 1 598 . 1 1 51 51 ASN C C 13 177.109 0.009 . 1 . . . A 91 ASN C . 25461 1 599 . 1 1 51 51 ASN CA C 13 55.690 0.041 . 1 . . . A 91 ASN CA . 25461 1 600 . 1 1 51 51 ASN CB C 13 40.486 0.022 . 1 . . . A 91 ASN CB . 25461 1 601 . 1 1 51 51 ASN N N 15 115.736 0.013 . 1 . . . A 91 ASN N . 25461 1 602 . 1 1 51 51 ASN ND2 N 15 112.371 0.002 . 1 . . . A 91 ASN ND2 . 25461 1 603 . 1 1 52 52 THR H H 1 9.251 0.002 . 1 . . . A 92 THR H . 25461 1 604 . 1 1 52 52 THR HA H 1 4.142 0.009 . 1 . . . A 92 THR HA . 25461 1 605 . 1 1 52 52 THR HB H 1 4.144 0.005 . 1 . . . A 92 THR HB . 25461 1 606 . 1 1 52 52 THR HG21 H 1 1.123 0.003 . 1 . . . A 92 THR HG21 . 25461 1 607 . 1 1 52 52 THR HG22 H 1 1.123 0.003 . 1 . . . A 92 THR HG22 . 25461 1 608 . 1 1 52 52 THR HG23 H 1 1.123 0.003 . 1 . . . A 92 THR HG23 . 25461 1 609 . 1 1 52 52 THR C C 13 176.599 0.012 . 1 . . . A 92 THR C . 25461 1 610 . 1 1 52 52 THR CA C 13 62.581 0.039 . 1 . . . A 92 THR CA . 25461 1 611 . 1 1 52 52 THR CB C 13 70.198 0.056 . 1 . . . A 92 THR CB . 25461 1 612 . 1 1 52 52 THR CG2 C 13 20.892 0.002 . 1 . . . A 92 THR CG2 . 25461 1 613 . 1 1 52 52 THR N N 15 110.330 0.009 . 1 . . . A 92 THR N . 25461 1 614 . 1 1 53 53 GLY H H 1 8.682 0.001 . 1 . . . A 93 GLY H . 25461 1 615 . 1 1 53 53 GLY HA2 H 1 3.566 0.004 . 2 . . . A 93 GLY HA2 . 25461 1 616 . 1 1 53 53 GLY HA3 H 1 3.255 0.007 . 2 . . . A 93 GLY HA3 . 25461 1 617 . 1 1 53 53 GLY C C 13 174.132 0.008 . 1 . . . A 93 GLY C . 25461 1 618 . 1 1 53 53 GLY CA C 13 45.671 0.017 . 1 . . . A 93 GLY CA . 25461 1 619 . 1 1 53 53 GLY N N 15 112.211 0.011 . 1 . . . A 93 GLY N . 25461 1 620 . 1 1 54 54 SER H H 1 8.058 0.003 . 1 . . . A 94 SER H . 25461 1 621 . 1 1 54 54 SER HA H 1 4.784 0.004 . 1 . . . A 94 SER HA . 25461 1 622 . 1 1 54 54 SER HB2 H 1 3.877 0.003 . 2 . . . A 94 SER HB2 . 25461 1 623 . 1 1 54 54 SER HB3 H 1 3.484 0.004 . 2 . . . A 94 SER HB3 . 25461 1 624 . 1 1 54 54 SER C C 13 173.862 0.005 . 1 . . . A 94 SER C . 25461 1 625 . 1 1 54 54 SER CA C 13 56.221 0.017 . 1 . . . A 94 SER CA . 25461 1 626 . 1 1 54 54 SER CB C 13 64.454 0.053 . 1 . . . A 94 SER CB . 25461 1 627 . 1 1 54 54 SER N N 15 111.808 0.011 . 1 . . . A 94 SER N . 25461 1 628 . 1 1 55 55 VAL H H 1 8.983 0.003 . 1 . . . A 95 VAL H . 25461 1 629 . 1 1 55 55 VAL HA H 1 3.357 0.006 . 1 . . . A 95 VAL HA . 25461 1 630 . 1 1 55 55 VAL HB H 1 1.994 0.000 . 1 . . . A 95 VAL HB . 25461 1 631 . 1 1 55 55 VAL HG11 H 1 1.108 0.003 . 2 . . . A 95 VAL HG11 . 25461 1 632 . 1 1 55 55 VAL HG12 H 1 1.108 0.003 . 2 . . . A 95 VAL HG12 . 25461 1 633 . 1 1 55 55 VAL HG13 H 1 1.108 0.003 . 2 . . . A 95 VAL HG13 . 25461 1 634 . 1 1 55 55 VAL HG21 H 1 0.849 0.001 . 2 . . . A 95 VAL HG21 . 25461 1 635 . 1 1 55 55 VAL HG22 H 1 0.849 0.001 . 2 . . . A 95 VAL HG22 . 25461 1 636 . 1 1 55 55 VAL HG23 H 1 0.849 0.001 . 2 . . . A 95 VAL HG23 . 25461 1 637 . 1 1 55 55 VAL C C 13 176.909 0.010 . 1 . . . A 95 VAL C . 25461 1 638 . 1 1 55 55 VAL CA C 13 66.806 0.016 . 1 . . . A 95 VAL CA . 25461 1 639 . 1 1 55 55 VAL CB C 13 32.319 0.028 . 1 . . . A 95 VAL CB . 25461 1 640 . 1 1 55 55 VAL CG1 C 13 22.759 0.005 . 1 . . . A 95 VAL CG1 . 25461 1 641 . 1 1 55 55 VAL CG2 C 13 20.830 0.024 . 1 . . . A 95 VAL CG2 . 25461 1 642 . 1 1 55 55 VAL N N 15 129.818 0.005 . 1 . . . A 95 VAL N . 25461 1 643 . 1 1 56 56 GLU H H 1 8.673 0.005 . 1 . . . A 96 GLU H . 25461 1 644 . 1 1 56 56 GLU HA H 1 3.824 0.004 . 1 . . . A 96 GLU HA . 25461 1 645 . 1 1 56 56 GLU HB2 H 1 1.949 0.000 . 2 . . . A 96 GLU HB2 . 25461 1 646 . 1 1 56 56 GLU HB3 H 1 1.949 0.000 . 2 . . . A 96 GLU HB3 . 25461 1 647 . 1 1 56 56 GLU HG2 H 1 2.407 0.004 . 2 . . . A 96 GLU HG2 . 25461 1 648 . 1 1 56 56 GLU HG3 H 1 2.255 0.001 . 2 . . . A 96 GLU HG3 . 25461 1 649 . 1 1 56 56 GLU C C 13 179.126 0.005 . 1 . . . A 96 GLU C . 25461 1 650 . 1 1 56 56 GLU CA C 13 60.825 0.005 . 1 . . . A 96 GLU CA . 25461 1 651 . 1 1 56 56 GLU CB C 13 29.009 0.035 . 1 . . . A 96 GLU CB . 25461 1 652 . 1 1 56 56 GLU CG C 13 37.242 0.006 . 1 . . . A 96 GLU CG . 25461 1 653 . 1 1 56 56 GLU N N 15 117.745 0.015 . 1 . . . A 96 GLU N . 25461 1 654 . 1 1 57 57 GLU H H 1 8.125 0.003 . 1 . . . A 97 GLU H . 25461 1 655 . 1 1 57 57 GLU HA H 1 4.146 0.007 . 1 . . . A 97 GLU HA . 25461 1 656 . 1 1 57 57 GLU HB2 H 1 2.082 0.000 . 2 . . . A 97 GLU HB2 . 25461 1 657 . 1 1 57 57 GLU HB3 H 1 1.841 0.000 . 2 . . . A 97 GLU HB3 . 25461 1 658 . 1 1 57 57 GLU HG2 H 1 2.284 0.003 . 2 . . . A 97 GLU HG2 . 25461 1 659 . 1 1 57 57 GLU HG3 H 1 2.284 0.003 . 2 . . . A 97 GLU HG3 . 25461 1 660 . 1 1 57 57 GLU C C 13 178.947 0.005 . 1 . . . A 97 GLU C . 25461 1 661 . 1 1 57 57 GLU CA C 13 58.941 0.021 . 1 . . . A 97 GLU CA . 25461 1 662 . 1 1 57 57 GLU CB C 13 29.744 0.046 . 1 . . . A 97 GLU CB . 25461 1 663 . 1 1 57 57 GLU CG C 13 35.831 0.010 . 1 . . . A 97 GLU CG . 25461 1 664 . 1 1 57 57 GLU N N 15 120.049 0.006 . 1 . . . A 97 GLU N . 25461 1 665 . 1 1 58 58 THR H H 1 8.038 0.002 . 1 . . . A 98 THR H . 25461 1 666 . 1 1 58 58 THR HA H 1 3.805 0.005 . 1 . . . A 98 THR HA . 25461 1 667 . 1 1 58 58 THR HB H 1 4.188 0.000 . 1 . . . A 98 THR HB . 25461 1 668 . 1 1 58 58 THR HG21 H 1 1.370 0.003 . 1 . . . A 98 THR HG21 . 25461 1 669 . 1 1 58 58 THR HG22 H 1 1.370 0.003 . 1 . . . A 98 THR HG22 . 25461 1 670 . 1 1 58 58 THR HG23 H 1 1.370 0.003 . 1 . . . A 98 THR HG23 . 25461 1 671 . 1 1 58 58 THR C C 13 175.676 0.006 . 1 . . . A 98 THR C . 25461 1 672 . 1 1 58 58 THR CA C 13 70.162 0.051 . 1 . . . A 98 THR CA . 25461 1 673 . 1 1 58 58 THR CB C 13 69.317 0.009 . 1 . . . A 98 THR CB . 25461 1 674 . 1 1 58 58 THR CG2 C 13 21.369 0.032 . 1 . . . A 98 THR CG2 . 25461 1 675 . 1 1 58 58 THR N N 15 118.623 0.005 . 1 . . . A 98 THR N . 25461 1 676 . 1 1 59 59 VAL H H 1 8.724 0.003 . 1 . . . A 99 VAL H . 25461 1 677 . 1 1 59 59 VAL HA H 1 3.541 0.004 . 1 . . . A 99 VAL HA . 25461 1 678 . 1 1 59 59 VAL HB H 1 2.200 0.005 . 1 . . . A 99 VAL HB . 25461 1 679 . 1 1 59 59 VAL HG11 H 1 1.037 0.003 . 2 . . . A 99 VAL HG11 . 25461 1 680 . 1 1 59 59 VAL HG12 H 1 1.037 0.003 . 2 . . . A 99 VAL HG12 . 25461 1 681 . 1 1 59 59 VAL HG13 H 1 1.037 0.003 . 2 . . . A 99 VAL HG13 . 25461 1 682 . 1 1 59 59 VAL HG21 H 1 1.014 0.005 . 2 . . . A 99 VAL HG21 . 25461 1 683 . 1 1 59 59 VAL HG22 H 1 1.014 0.005 . 2 . . . A 99 VAL HG22 . 25461 1 684 . 1 1 59 59 VAL HG23 H 1 1.014 0.005 . 2 . . . A 99 VAL HG23 . 25461 1 685 . 1 1 59 59 VAL C C 13 177.456 0.006 . 1 . . . A 99 VAL C . 25461 1 686 . 1 1 59 59 VAL CA C 13 67.924 0.026 . 1 . . . A 99 VAL CA . 25461 1 687 . 1 1 59 59 VAL CB C 13 31.566 0.039 . 1 . . . A 99 VAL CB . 25461 1 688 . 1 1 59 59 VAL CG1 C 13 25.255 0.000 . 1 . . . A 99 VAL CG1 . 25461 1 689 . 1 1 59 59 VAL CG2 C 13 21.675 0.026 . 1 . . . A 99 VAL CG2 . 25461 1 690 . 1 1 59 59 VAL N N 15 120.683 0.007 . 1 . . . A 99 VAL N . 25461 1 691 . 1 1 60 60 GLU H H 1 8.324 0.004 . 1 . . . A 100 GLU H . 25461 1 692 . 1 1 60 60 GLU HA H 1 4.014 0.003 . 1 . . . A 100 GLU HA . 25461 1 693 . 1 1 60 60 GLU HB2 H 1 2.213 0.002 . 2 . . . A 100 GLU HB2 . 25461 1 694 . 1 1 60 60 GLU HB3 H 1 2.144 0.003 . 2 . . . A 100 GLU HB3 . 25461 1 695 . 1 1 60 60 GLU HG2 H 1 2.362 0.000 . 2 . . . A 100 GLU HG2 . 25461 1 696 . 1 1 60 60 GLU HG3 H 1 2.274 0.004 . 2 . . . A 100 GLU HG3 . 25461 1 697 . 1 1 60 60 GLU C C 13 179.857 0.006 . 1 . . . A 100 GLU C . 25461 1 698 . 1 1 60 60 GLU CA C 13 60.220 0.007 . 1 . . . A 100 GLU CA . 25461 1 699 . 1 1 60 60 GLU CB C 13 29.208 0.039 . 1 . . . A 100 GLU CB . 25461 1 700 . 1 1 60 60 GLU CG C 13 36.288 0.006 . 1 . . . A 100 GLU CG . 25461 1 701 . 1 1 60 60 GLU N N 15 120.914 0.009 . 1 . . . A 100 GLU N . 25461 1 702 . 1 1 61 61 ARG H H 1 8.197 0.005 . 1 . . . A 101 ARG H . 25461 1 703 . 1 1 61 61 ARG HA H 1 3.873 0.007 . 1 . . . A 101 ARG HA . 25461 1 704 . 1 1 61 61 ARG HB2 H 1 1.868 0.002 . 2 . . . A 101 ARG HB2 . 25461 1 705 . 1 1 61 61 ARG HB3 H 1 2.092 0.000 . 2 . . . A 101 ARG HB3 . 25461 1 706 . 1 1 61 61 ARG HG2 H 1 2.033 0.000 . 2 . . . A 101 ARG HG2 . 25461 1 707 . 1 1 61 61 ARG HG3 H 1 1.621 0.000 . 2 . . . A 101 ARG HG3 . 25461 1 708 . 1 1 61 61 ARG HD2 H 1 2.763 0.005 . 2 . . . A 101 ARG HD2 . 25461 1 709 . 1 1 61 61 ARG HD3 H 1 3.003 0.003 . 2 . . . A 101 ARG HD3 . 25461 1 710 . 1 1 61 61 ARG HE H 1 7.872 0.000 . 1 . . . A 101 ARG HE . 25461 1 711 . 1 1 61 61 ARG C C 13 178.078 0.006 . 1 . . . A 101 ARG C . 25461 1 712 . 1 1 61 61 ARG CA C 13 59.978 0.035 . 1 . . . A 101 ARG CA . 25461 1 713 . 1 1 61 61 ARG CB C 13 29.946 0.005 . 1 . . . A 101 ARG CB . 25461 1 714 . 1 1 61 61 ARG CG C 13 28.427 0.000 . 1 . . . A 101 ARG CG . 25461 1 715 . 1 1 61 61 ARG CD C 13 43.746 0.005 . 1 . . . A 101 ARG CD . 25461 1 716 . 1 1 61 61 ARG N N 15 118.451 0.006 . 1 . . . A 101 ARG N . 25461 1 717 . 1 1 61 61 ARG NE N 15 85.743 0.000 . 1 . . . A 101 ARG NE . 25461 1 718 . 1 1 62 62 TYR H H 1 8.180 0.004 . 1 . . . A 102 TYR H . 25461 1 719 . 1 1 62 62 TYR HA H 1 4.475 0.003 . 1 . . . A 102 TYR HA . 25461 1 720 . 1 1 62 62 TYR HB2 H 1 2.954 0.004 . 2 . . . A 102 TYR HB2 . 25461 1 721 . 1 1 62 62 TYR HB3 H 1 3.329 0.003 . 2 . . . A 102 TYR HB3 . 25461 1 722 . 1 1 62 62 TYR HD1 H 1 6.759 0.004 . 1 . . . A 102 TYR HD1 . 25461 1 723 . 1 1 62 62 TYR HD2 H 1 6.759 0.004 . 1 . . . A 102 TYR HD2 . 25461 1 724 . 1 1 62 62 TYR HE1 H 1 6.767 0.002 . 1 . . . A 102 TYR HE1 . 25461 1 725 . 1 1 62 62 TYR HE2 H 1 6.767 0.002 . 1 . . . A 102 TYR HE2 . 25461 1 726 . 1 1 62 62 TYR C C 13 180.056 0.005 . 1 . . . A 102 TYR C . 25461 1 727 . 1 1 62 62 TYR CA C 13 61.526 0.005 . 1 . . . A 102 TYR CA . 25461 1 728 . 1 1 62 62 TYR CB C 13 37.516 0.017 . 1 . . . A 102 TYR CB . 25461 1 729 . 1 1 62 62 TYR CD1 C 13 133.034 0.002 . 1 . . . A 102 TYR CD1 . 25461 1 730 . 1 1 62 62 TYR CE1 C 13 118.820 0.000 . 1 . . . A 102 TYR CE1 . 25461 1 731 . 1 1 62 62 TYR N N 15 119.888 0.024 . 1 . . . A 102 TYR N . 25461 1 732 . 1 1 63 63 LEU H H 1 9.050 0.002 . 1 . . . A 103 LEU H . 25461 1 733 . 1 1 63 63 LEU HA H 1 3.831 0.007 . 1 . . . A 103 LEU HA . 25461 1 734 . 1 1 63 63 LEU HB2 H 1 1.477 0.003 . 2 . . . A 103 LEU HB2 . 25461 1 735 . 1 1 63 63 LEU HB3 H 1 1.973 0.006 . 2 . . . A 103 LEU HB3 . 25461 1 736 . 1 1 63 63 LEU HG H 1 0.952 0.006 . 1 . . . A 103 LEU HG . 25461 1 737 . 1 1 63 63 LEU HD11 H 1 0.994 0.001 . 2 . . . A 103 LEU HD11 . 25461 1 738 . 1 1 63 63 LEU HD12 H 1 0.994 0.001 . 2 . . . A 103 LEU HD12 . 25461 1 739 . 1 1 63 63 LEU HD13 H 1 0.994 0.001 . 2 . . . A 103 LEU HD13 . 25461 1 740 . 1 1 63 63 LEU HD21 H 1 0.994 0.001 . 2 . . . A 103 LEU HD21 . 25461 1 741 . 1 1 63 63 LEU HD22 H 1 0.994 0.001 . 2 . . . A 103 LEU HD22 . 25461 1 742 . 1 1 63 63 LEU HD23 H 1 0.994 0.001 . 2 . . . A 103 LEU HD23 . 25461 1 743 . 1 1 63 63 LEU C C 13 178.973 0.007 . 1 . . . A 103 LEU C . 25461 1 744 . 1 1 63 63 LEU CA C 13 57.425 0.013 . 1 . . . A 103 LEU CA . 25461 1 745 . 1 1 63 63 LEU CB C 13 41.622 0.008 . 1 . . . A 103 LEU CB . 25461 1 746 . 1 1 63 63 LEU CG C 13 26.074 0.011 . 1 . . . A 103 LEU CG . 25461 1 747 . 1 1 63 63 LEU CD1 C 13 22.106 0.020 . 1 . . . A 103 LEU CD1 . 25461 1 748 . 1 1 63 63 LEU N N 15 122.091 0.007 . 1 . . . A 103 LEU N . 25461 1 749 . 1 1 64 64 ARG H H 1 7.888 0.005 . 1 . . . A 104 ARG H . 25461 1 750 . 1 1 64 64 ARG HA H 1 4.376 0.004 . 1 . . . A 104 ARG HA . 25461 1 751 . 1 1 64 64 ARG HB2 H 1 1.871 0.008 . 2 . . . A 104 ARG HB2 . 25461 1 752 . 1 1 64 64 ARG HB3 H 1 2.010 0.004 . 2 . . . A 104 ARG HB3 . 25461 1 753 . 1 1 64 64 ARG HG2 H 1 1.933 0.001 . 2 . . . A 104 ARG HG2 . 25461 1 754 . 1 1 64 64 ARG HG3 H 1 1.667 0.002 . 2 . . . A 104 ARG HG3 . 25461 1 755 . 1 1 64 64 ARG HD2 H 1 3.159 0.003 . 2 . . . A 104 ARG HD2 . 25461 1 756 . 1 1 64 64 ARG HD3 H 1 3.159 0.003 . 2 . . . A 104 ARG HD3 . 25461 1 757 . 1 1 64 64 ARG HE H 1 7.883 0.000 . 1 . . . A 104 ARG HE . 25461 1 758 . 1 1 64 64 ARG C C 13 176.877 0.010 . 1 . . . A 104 ARG C . 25461 1 759 . 1 1 64 64 ARG CA C 13 56.572 0.019 . 1 . . . A 104 ARG CA . 25461 1 760 . 1 1 64 64 ARG CB C 13 30.478 0.016 . 1 . . . A 104 ARG CB . 25461 1 761 . 1 1 64 64 ARG CG C 13 26.669 0.006 . 1 . . . A 104 ARG CG . 25461 1 762 . 1 1 64 64 ARG CD C 13 44.098 0.069 . 1 . . . A 104 ARG CD . 25461 1 763 . 1 1 64 64 ARG N N 15 116.388 0.009 . 1 . . . A 104 ARG N . 25461 1 764 . 1 1 64 64 ARG NE N 15 85.295 0.000 . 1 . . . A 104 ARG NE . 25461 1 765 . 1 1 65 65 GLY H H 1 7.688 0.005 . 1 . . . A 105 GLY H . 25461 1 766 . 1 1 65 65 GLY HA2 H 1 4.204 0.005 . 2 . . . A 105 GLY HA2 . 25461 1 767 . 1 1 65 65 GLY HA3 H 1 3.731 0.005 . 2 . . . A 105 GLY HA3 . 25461 1 768 . 1 1 65 65 GLY C C 13 174.796 0.025 . 1 . . . A 105 GLY C . 25461 1 769 . 1 1 65 65 GLY CA C 13 45.332 0.006 . 1 . . . A 105 GLY CA . 25461 1 770 . 1 1 65 65 GLY N N 15 107.432 0.019 . 1 . . . A 105 GLY N . 25461 1 771 . 1 1 66 66 ASP H H 1 7.878 0.004 . 1 . . . A 106 ASP H . 25461 1 772 . 1 1 66 66 ASP HA H 1 4.381 0.003 . 1 . . . A 106 ASP HA . 25461 1 773 . 1 1 66 66 ASP HB2 H 1 2.475 0.006 . 2 . . . A 106 ASP HB2 . 25461 1 774 . 1 1 66 66 ASP HB3 H 1 2.475 0.006 . 2 . . . A 106 ASP HB3 . 25461 1 775 . 1 1 66 66 ASP C C 13 175.595 0.006 . 1 . . . A 106 ASP C . 25461 1 776 . 1 1 66 66 ASP CA C 13 55.037 0.025 . 1 . . . A 106 ASP CA . 25461 1 777 . 1 1 66 66 ASP CB C 13 40.571 0.001 . 1 . . . A 106 ASP CB . 25461 1 778 . 1 1 66 66 ASP N N 15 121.505 0.005 . 1 . . . A 106 ASP N . 25461 1 779 . 1 1 67 67 GLU H H 1 8.394 0.002 . 1 . . . A 107 GLU H . 25461 1 780 . 1 1 67 67 GLU HA H 1 4.382 0.004 . 1 . . . A 107 GLU HA . 25461 1 781 . 1 1 67 67 GLU HB2 H 1 1.965 0.003 . 2 . . . A 107 GLU HB2 . 25461 1 782 . 1 1 67 67 GLU HB3 H 1 1.965 0.003 . 2 . . . A 107 GLU HB3 . 25461 1 783 . 1 1 67 67 GLU HG2 H 1 2.328 0.000 . 2 . . . A 107 GLU HG2 . 25461 1 784 . 1 1 67 67 GLU HG3 H 1 2.213 0.000 . 2 . . . A 107 GLU HG3 . 25461 1 785 . 1 1 67 67 GLU C C 13 177.123 0.006 . 1 . . . A 107 GLU C . 25461 1 786 . 1 1 67 67 GLU CA C 13 56.475 0.030 . 1 . . . A 107 GLU CA . 25461 1 787 . 1 1 67 67 GLU CB C 13 30.522 0.035 . 1 . . . A 107 GLU CB . 25461 1 788 . 1 1 67 67 GLU CG C 13 36.362 0.000 . 1 . . . A 107 GLU CG . 25461 1 789 . 1 1 67 67 GLU N N 15 119.581 0.006 . 1 . . . A 107 GLU N . 25461 1 790 . 1 1 68 68 PHE H H 1 9.373 0.001 . 1 . . . A 108 PHE H . 25461 1 791 . 1 1 68 68 PHE HA H 1 4.622 0.003 . 1 . . . A 108 PHE HA . 25461 1 792 . 1 1 68 68 PHE HB2 H 1 3.045 0.004 . 2 . . . A 108 PHE HB2 . 25461 1 793 . 1 1 68 68 PHE HB3 H 1 2.744 0.005 . 2 . . . A 108 PHE HB3 . 25461 1 794 . 1 1 68 68 PHE HD1 H 1 7.358 0.002 . 1 . . . A 108 PHE HD1 . 25461 1 795 . 1 1 68 68 PHE HD2 H 1 7.358 0.002 . 1 . . . A 108 PHE HD2 . 25461 1 796 . 1 1 68 68 PHE HE1 H 1 7.161 0.003 . 1 . . . A 108 PHE HE1 . 25461 1 797 . 1 1 68 68 PHE HE2 H 1 7.161 0.003 . 1 . . . A 108 PHE HE2 . 25461 1 798 . 1 1 68 68 PHE HZ H 1 7.706 0.004 . 1 . . . A 108 PHE HZ . 25461 1 799 . 1 1 68 68 PHE C C 13 176.186 0.007 . 1 . . . A 108 PHE C . 25461 1 800 . 1 1 68 68 PHE CA C 13 57.230 0.025 . 1 . . . A 108 PHE CA . 25461 1 801 . 1 1 68 68 PHE CB C 13 40.244 0.026 . 1 . . . A 108 PHE CB . 25461 1 802 . 1 1 68 68 PHE CD2 C 13 131.861 0.014 . 1 . . . A 108 PHE CD2 . 25461 1 803 . 1 1 68 68 PHE CE2 C 13 130.769 0.007 . 1 . . . A 108 PHE CE2 . 25461 1 804 . 1 1 68 68 PHE CZ C 13 129.547 0.020 . 1 . . . A 108 PHE CZ . 25461 1 805 . 1 1 68 68 PHE N N 15 126.975 0.011 . 1 . . . A 108 PHE N . 25461 1 806 . 1 1 69 69 SER H H 1 8.694 0.001 . 1 . . . A 109 SER H . 25461 1 807 . 1 1 69 69 SER HA H 1 4.582 0.002 . 1 . . . A 109 SER HA . 25461 1 808 . 1 1 69 69 SER HB2 H 1 4.055 0.002 . 1 . . . A 109 SER HB2 . 25461 1 809 . 1 1 69 69 SER HB3 H 1 3.847 0.005 . 1 . . . A 109 SER HB3 . 25461 1 810 . 1 1 69 69 SER C C 13 175.060 0.004 . 1 . . . A 109 SER C . 25461 1 811 . 1 1 69 69 SER CA C 13 58.928 0.009 . 1 . . . A 109 SER CA . 25461 1 812 . 1 1 69 69 SER CB C 13 64.213 0.020 . 1 . . . A 109 SER CB . 25461 1 813 . 1 1 69 69 SER N N 15 121.198 0.012 . 1 . . . A 109 SER N . 25461 1 814 . 1 1 70 70 PHE H H 1 8.965 0.002 . 1 . . . A 110 PHE H . 25461 1 815 . 1 1 70 70 PHE HA H 1 4.187 0.000 . 1 . . . A 110 PHE HA . 25461 1 816 . 1 1 70 70 PHE HB2 H 1 2.771 0.002 . 2 . . . A 110 PHE HB2 . 25461 1 817 . 1 1 70 70 PHE HB3 H 1 2.627 0.003 . 2 . . . A 110 PHE HB3 . 25461 1 818 . 1 1 70 70 PHE HD1 H 1 6.765 0.009 . 1 . . . A 110 PHE HD1 . 25461 1 819 . 1 1 70 70 PHE HD2 H 1 6.765 0.009 . 1 . . . A 110 PHE HD2 . 25461 1 820 . 1 1 70 70 PHE HE1 H 1 7.020 0.004 . 1 . . . A 110 PHE HE1 . 25461 1 821 . 1 1 70 70 PHE HE2 H 1 7.020 0.004 . 1 . . . A 110 PHE HE2 . 25461 1 822 . 1 1 70 70 PHE HZ H 1 7.025 0.002 . 1 . . . A 110 PHE HZ . 25461 1 823 . 1 1 70 70 PHE C C 13 172.930 0.000 . 1 . . . A 110 PHE C . 25461 1 824 . 1 1 70 70 PHE CA C 13 57.749 0.012 . 1 . . . A 110 PHE CA . 25461 1 825 . 1 1 70 70 PHE CB C 13 38.497 0.034 . 1 . . . A 110 PHE CB . 25461 1 826 . 1 1 70 70 PHE CD1 C 13 131.396 0.029 . 1 . . . A 110 PHE CD1 . 25461 1 827 . 1 1 70 70 PHE CE1 C 13 131.754 0.032 . 1 . . . A 110 PHE CE1 . 25461 1 828 . 1 1 70 70 PHE CZ C 13 129.944 0.033 . 1 . . . A 110 PHE CZ . 25461 1 829 . 1 1 70 70 PHE N N 15 121.734 0.009 . 1 . . . A 110 PHE N . 25461 1 830 . 1 1 71 71 PRO HA H 1 3.349 0.001 . 1 . . . A 111 PRO HA . 25461 1 831 . 1 1 71 71 PRO HB2 H 1 1.867 0.001 . 2 . . . A 111 PRO HB2 . 25461 1 832 . 1 1 71 71 PRO HB3 H 1 1.767 0.006 . 2 . . . A 111 PRO HB3 . 25461 1 833 . 1 1 71 71 PRO HG2 H 1 2.127 0.005 . 2 . . . A 111 PRO HG2 . 25461 1 834 . 1 1 71 71 PRO HG3 H 1 2.029 0.001 . 2 . . . A 111 PRO HG3 . 25461 1 835 . 1 1 71 71 PRO HD2 H 1 3.410 0.002 . 2 . . . A 111 PRO HD2 . 25461 1 836 . 1 1 71 71 PRO HD3 H 1 3.242 0.002 . 2 . . . A 111 PRO HD3 . 25461 1 837 . 1 1 71 71 PRO CA C 13 61.072 0.009 . 1 . . . A 111 PRO CA . 25461 1 838 . 1 1 71 71 PRO CG C 13 27.486 0.006 . 1 . . . A 111 PRO CG . 25461 1 839 . 1 1 71 71 PRO CD C 13 49.626 0.030 . 1 . . . A 111 PRO CD . 25461 1 840 . 1 1 72 72 PRO HA H 1 4.318 0.003 . 1 . . . A 112 PRO HA . 25461 1 841 . 1 1 72 72 PRO HB2 H 1 1.873 0.000 . 2 . . . A 112 PRO HB2 . 25461 1 842 . 1 1 72 72 PRO HB3 H 1 2.291 0.000 . 2 . . . A 112 PRO HB3 . 25461 1 843 . 1 1 72 72 PRO HG2 H 1 2.115 0.006 . 2 . . . A 112 PRO HG2 . 25461 1 844 . 1 1 72 72 PRO HG3 H 1 2.059 0.000 . 2 . . . A 112 PRO HG3 . 25461 1 845 . 1 1 72 72 PRO HD2 H 1 3.478 0.002 . 2 . . . A 112 PRO HD2 . 25461 1 846 . 1 1 72 72 PRO HD3 H 1 3.428 0.004 . 2 . . . A 112 PRO HD3 . 25461 1 847 . 1 1 72 72 PRO C C 13 177.703 0.002 . 1 . . . A 112 PRO C . 25461 1 848 . 1 1 72 72 PRO CA C 13 63.589 0.021 . 1 . . . A 112 PRO CA . 25461 1 849 . 1 1 72 72 PRO CB C 13 31.758 0.016 . 1 . . . A 112 PRO CB . 25461 1 850 . 1 1 72 72 PRO CG C 13 27.653 0.011 . 1 . . . A 112 PRO CG . 25461 1 851 . 1 1 72 72 PRO CD C 13 50.683 0.009 . 1 . . . A 112 PRO CD . 25461 1 852 . 1 1 73 73 GLY H H 1 8.682 0.002 . 1 . . . A 113 GLY H . 25461 1 853 . 1 1 73 73 GLY HA2 H 1 4.015 0.008 . 2 . . . A 113 GLY HA2 . 25461 1 854 . 1 1 73 73 GLY HA3 H 1 3.771 0.000 . 2 . . . A 113 GLY HA3 . 25461 1 855 . 1 1 73 73 GLY C C 13 174.074 0.009 . 1 . . . A 113 GLY C . 25461 1 856 . 1 1 73 73 GLY CA C 13 45.160 0.005 . 1 . . . A 113 GLY CA . 25461 1 857 . 1 1 73 73 GLY N N 15 110.960 0.005 . 1 . . . A 113 GLY N . 25461 1 858 . 1 1 74 74 PHE H H 1 7.771 0.003 . 1 . . . A 114 PHE H . 25461 1 859 . 1 1 74 74 PHE HA H 1 4.310 0.005 . 1 . . . A 114 PHE HA . 25461 1 860 . 1 1 74 74 PHE HB2 H 1 3.053 0.003 . 2 . . . A 114 PHE HB2 . 25461 1 861 . 1 1 74 74 PHE HB3 H 1 2.923 0.003 . 2 . . . A 114 PHE HB3 . 25461 1 862 . 1 1 74 74 PHE HD1 H 1 7.023 0.007 . 1 . . . A 114 PHE HD1 . 25461 1 863 . 1 1 74 74 PHE HD2 H 1 7.023 0.007 . 1 . . . A 114 PHE HD2 . 25461 1 864 . 1 1 74 74 PHE HE1 H 1 7.065 0.007 . 1 . . . A 114 PHE HE1 . 25461 1 865 . 1 1 74 74 PHE HE2 H 1 7.065 0.007 . 1 . . . A 114 PHE HE2 . 25461 1 866 . 1 1 74 74 PHE HZ H 1 7.070 0.001 . 1 . . . A 114 PHE HZ . 25461 1 867 . 1 1 74 74 PHE C C 13 174.567 0.006 . 1 . . . A 114 PHE C . 25461 1 868 . 1 1 74 74 PHE CA C 13 59.324 0.033 . 1 . . . A 114 PHE CA . 25461 1 869 . 1 1 74 74 PHE CB C 13 40.149 0.017 . 1 . . . A 114 PHE CB . 25461 1 870 . 1 1 74 74 PHE CD1 C 13 131.794 0.000 . 1 . . . A 114 PHE CD1 . 25461 1 871 . 1 1 74 74 PHE CE1 C 13 131.465 0.024 . 1 . . . A 114 PHE CE1 . 25461 1 872 . 1 1 74 74 PHE CZ C 13 130.095 0.057 . 1 . . . A 114 PHE CZ . 25461 1 873 . 1 1 74 74 PHE N N 15 120.992 0.011 . 1 . . . A 114 PHE N . 25461 1 874 . 1 1 75 75 GLU H H 1 7.484 0.005 . 1 . . . A 115 GLU H . 25461 1 875 . 1 1 75 75 GLU HA H 1 3.855 0.001 . 1 . . . A 115 GLU HA . 25461 1 876 . 1 1 75 75 GLU HB2 H 1 1.860 0.000 . 2 . . . A 115 GLU HB2 . 25461 1 877 . 1 1 75 75 GLU HB3 H 1 1.728 0.000 . 2 . . . A 115 GLU HB3 . 25461 1 878 . 1 1 75 75 GLU HG2 H 1 2.028 0.001 . 2 . . . A 115 GLU HG2 . 25461 1 879 . 1 1 75 75 GLU HG3 H 1 2.028 0.001 . 2 . . . A 115 GLU HG3 . 25461 1 880 . 1 1 75 75 GLU C C 13 180.076 0.004 . 1 . . . A 115 GLU C . 25461 1 881 . 1 1 75 75 GLU CA C 13 57.811 0.039 . 1 . . . A 115 GLU CA . 25461 1 882 . 1 1 75 75 GLU CB C 13 31.615 0.000 . 1 . . . A 115 GLU CB . 25461 1 883 . 1 1 75 75 GLU CG C 13 36.415 0.006 . 1 . . . A 115 GLU CG . 25461 1 884 . 1 1 75 75 GLU N N 15 127.874 0.018 . 1 . . . A 115 GLU N . 25461 1 stop_ save_