data_25606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25606 _Entry.Title ; 1H, 13C and 15N assignment of HA, HB, HN, CA, CB, C' and N of human Androgen Receptor-4Q ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-12 _Entry.Accession_date 2015-05-12 _Entry.Last_release_date 2015-05-12 _Entry.Original_release_date 2015-05-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bahareh Eftekharzadeh . . . . 25606 2 Alessandro Piai . . . . 25606 3 Giulio Chiesa . . . . 25606 4 Jesus Garcia . . . . 25606 5 Roberta Pierattelli . . . . 25606 6 Isabella Felli . C. . . 25606 7 Xavier Salvatella . . . . 25606 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'IRB, Barcelona' . 25606 2 . 'CERM, Florence' . 25606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 25606 '15N chemical shifts' 133 25606 '1H chemical shifts' 483 25606 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 . . 2017-02-08 . original BMRB . 25606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25607 'human Androgen Receptor-25Q' 25606 BMRB 25608 'human Androgen Receptor-4Q, at 308K' 25606 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25606 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27276254 _Citation.Full_citation . _Citation.Title ; Sequence Context Influences the Structure and Aggregation Behavior of a PolyQ Tract ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 110 _Citation.Journal_issue 11 _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 2361 _Citation.Page_last 2366 _Citation.Year 2016 _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 Bahareh Eftekharzadeh . . . . 25606 1 2 Alessandro Piai . . . . 25606 1 3 Giulio Chiesa . . . . 25606 1 4 Jesus Garcia . . . . 25606 1 5 Roberta Pierattelli . . . . 25606 1 6 Isabella Felli . C. . . 25606 1 7 Xavier Salvatella . . . . 25606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25606 _Assembly.ID 1 _Assembly.Name AR-4Q _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AR-4Q 1 $AR-4Q A . yes 'intrinsically disordered' no no . . . 25606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AR-4Q _Entity.Sf_category entity _Entity.Sf_framecode AR-4Q _Entity.Entry_ID 25606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AR-4Q _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMEVQLGLGRVYPRPPSKTY RGAFQNLFQSVREVIQNPGP RHPEAASAAPPGASLLLLQQ QQETSPRQQQQQQGEDGSPQ AHRRGPTGYLVLDEEQQPSQ PQSALECHPERGCVPEPGAA VAASKGLPQQLPAPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25606 1 2 . MET . 25606 1 3 . GLU . 25606 1 4 . VAL . 25606 1 5 . GLN . 25606 1 6 . LEU . 25606 1 7 . GLY . 25606 1 8 . LEU . 25606 1 9 . GLY . 25606 1 10 . ARG . 25606 1 11 . VAL . 25606 1 12 . TYR . 25606 1 13 . PRO . 25606 1 14 . ARG . 25606 1 15 . PRO . 25606 1 16 . PRO . 25606 1 17 . SER . 25606 1 18 . LYS . 25606 1 19 . THR . 25606 1 20 . TYR . 25606 1 21 . ARG . 25606 1 22 . GLY . 25606 1 23 . ALA . 25606 1 24 . PHE . 25606 1 25 . GLN . 25606 1 26 . ASN . 25606 1 27 . LEU . 25606 1 28 . PHE . 25606 1 29 . GLN . 25606 1 30 . SER . 25606 1 31 . VAL . 25606 1 32 . ARG . 25606 1 33 . GLU . 25606 1 34 . VAL . 25606 1 35 . ILE . 25606 1 36 . GLN . 25606 1 37 . ASN . 25606 1 38 . PRO . 25606 1 39 . GLY . 25606 1 40 . PRO . 25606 1 41 . ARG . 25606 1 42 . HIS . 25606 1 43 . PRO . 25606 1 44 . GLU . 25606 1 45 . ALA . 25606 1 46 . ALA . 25606 1 47 . SER . 25606 1 48 . ALA . 25606 1 49 . ALA . 25606 1 50 . PRO . 25606 1 51 . PRO . 25606 1 52 . GLY . 25606 1 53 . ALA . 25606 1 54 . SER . 25606 1 55 . LEU . 25606 1 56 . LEU . 25606 1 57 . LEU . 25606 1 58 . LEU . 25606 1 59 . GLN . 25606 1 60 . GLN . 25606 1 61 . GLN . 25606 1 62 . GLN . 25606 1 63 . GLU . 25606 1 64 . THR . 25606 1 65 . SER . 25606 1 66 . PRO . 25606 1 67 . ARG . 25606 1 68 . GLN . 25606 1 69 . GLN . 25606 1 70 . GLN . 25606 1 71 . GLN . 25606 1 72 . GLN . 25606 1 73 . GLN . 25606 1 74 . GLY . 25606 1 75 . GLU . 25606 1 76 . ASP . 25606 1 77 . GLY . 25606 1 78 . SER . 25606 1 79 . PRO . 25606 1 80 . GLN . 25606 1 81 . ALA . 25606 1 82 . HIS . 25606 1 83 . ARG . 25606 1 84 . ARG . 25606 1 85 . GLY . 25606 1 86 . PRO . 25606 1 87 . THR . 25606 1 88 . GLY . 25606 1 89 . TYR . 25606 1 90 . LEU . 25606 1 91 . VAL . 25606 1 92 . LEU . 25606 1 93 . ASP . 25606 1 94 . GLU . 25606 1 95 . GLU . 25606 1 96 . GLN . 25606 1 97 . GLN . 25606 1 98 . PRO . 25606 1 99 . SER . 25606 1 100 . GLN . 25606 1 101 . PRO . 25606 1 102 . GLN . 25606 1 103 . SER . 25606 1 104 . ALA . 25606 1 105 . LEU . 25606 1 106 . GLU . 25606 1 107 . CYS . 25606 1 108 . HIS . 25606 1 109 . PRO . 25606 1 110 . GLU . 25606 1 111 . ARG . 25606 1 112 . GLY . 25606 1 113 . CYS . 25606 1 114 . VAL . 25606 1 115 . PRO . 25606 1 116 . GLU . 25606 1 117 . PRO . 25606 1 118 . GLY . 25606 1 119 . ALA . 25606 1 120 . ALA . 25606 1 121 . VAL . 25606 1 122 . ALA . 25606 1 123 . ALA . 25606 1 124 . SER . 25606 1 125 . LYS . 25606 1 126 . GLY . 25606 1 127 . LEU . 25606 1 128 . PRO . 25606 1 129 . GLN . 25606 1 130 . GLN . 25606 1 131 . LEU . 25606 1 132 . PRO . 25606 1 133 . ALA . 25606 1 134 . PRO . 25606 1 135 . PRO . 25606 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 25606 1 . MET 2 2 25606 1 . GLU 3 3 25606 1 . VAL 4 4 25606 1 . GLN 5 5 25606 1 . LEU 6 6 25606 1 . GLY 7 7 25606 1 . LEU 8 8 25606 1 . GLY 9 9 25606 1 . ARG 10 10 25606 1 . VAL 11 11 25606 1 . TYR 12 12 25606 1 . PRO 13 13 25606 1 . ARG 14 14 25606 1 . PRO 15 15 25606 1 . PRO 16 16 25606 1 . SER 17 17 25606 1 . LYS 18 18 25606 1 . THR 19 19 25606 1 . TYR 20 20 25606 1 . ARG 21 21 25606 1 . GLY 22 22 25606 1 . ALA 23 23 25606 1 . PHE 24 24 25606 1 . GLN 25 25 25606 1 . ASN 26 26 25606 1 . LEU 27 27 25606 1 . PHE 28 28 25606 1 . GLN 29 29 25606 1 . SER 30 30 25606 1 . VAL 31 31 25606 1 . ARG 32 32 25606 1 . GLU 33 33 25606 1 . VAL 34 34 25606 1 . ILE 35 35 25606 1 . GLN 36 36 25606 1 . ASN 37 37 25606 1 . PRO 38 38 25606 1 . GLY 39 39 25606 1 . PRO 40 40 25606 1 . ARG 41 41 25606 1 . HIS 42 42 25606 1 . PRO 43 43 25606 1 . GLU 44 44 25606 1 . ALA 45 45 25606 1 . ALA 46 46 25606 1 . SER 47 47 25606 1 . ALA 48 48 25606 1 . ALA 49 49 25606 1 . PRO 50 50 25606 1 . PRO 51 51 25606 1 . GLY 52 52 25606 1 . ALA 53 53 25606 1 . SER 54 54 25606 1 . LEU 55 55 25606 1 . LEU 56 56 25606 1 . LEU 57 57 25606 1 . LEU 58 58 25606 1 . GLN 59 59 25606 1 . GLN 60 60 25606 1 . GLN 61 61 25606 1 . GLN 62 62 25606 1 . GLU 63 63 25606 1 . THR 64 64 25606 1 . SER 65 65 25606 1 . PRO 66 66 25606 1 . ARG 67 67 25606 1 . GLN 68 68 25606 1 . GLN 69 69 25606 1 . GLN 70 70 25606 1 . GLN 71 71 25606 1 . GLN 72 72 25606 1 . GLN 73 73 25606 1 . GLY 74 74 25606 1 . GLU 75 75 25606 1 . ASP 76 76 25606 1 . GLY 77 77 25606 1 . SER 78 78 25606 1 . PRO 79 79 25606 1 . GLN 80 80 25606 1 . ALA 81 81 25606 1 . HIS 82 82 25606 1 . ARG 83 83 25606 1 . ARG 84 84 25606 1 . GLY 85 85 25606 1 . PRO 86 86 25606 1 . THR 87 87 25606 1 . GLY 88 88 25606 1 . TYR 89 89 25606 1 . LEU 90 90 25606 1 . VAL 91 91 25606 1 . LEU 92 92 25606 1 . ASP 93 93 25606 1 . GLU 94 94 25606 1 . GLU 95 95 25606 1 . GLN 96 96 25606 1 . GLN 97 97 25606 1 . PRO 98 98 25606 1 . SER 99 99 25606 1 . GLN 100 100 25606 1 . PRO 101 101 25606 1 . GLN 102 102 25606 1 . SER 103 103 25606 1 . ALA 104 104 25606 1 . LEU 105 105 25606 1 . GLU 106 106 25606 1 . CYS 107 107 25606 1 . HIS 108 108 25606 1 . PRO 109 109 25606 1 . GLU 110 110 25606 1 . ARG 111 111 25606 1 . GLY 112 112 25606 1 . CYS 113 113 25606 1 . VAL 114 114 25606 1 . PRO 115 115 25606 1 . GLU 116 116 25606 1 . PRO 117 117 25606 1 . GLY 118 118 25606 1 . ALA 119 119 25606 1 . ALA 120 120 25606 1 . VAL 121 121 25606 1 . ALA 122 122 25606 1 . ALA 123 123 25606 1 . SER 124 124 25606 1 . LYS 125 125 25606 1 . GLY 126 126 25606 1 . LEU 127 127 25606 1 . PRO 128 128 25606 1 . GLN 129 129 25606 1 . GLN 130 130 25606 1 . LEU 131 131 25606 1 . PRO 132 132 25606 1 . ALA 133 133 25606 1 . PRO 134 134 25606 1 . PRO 135 135 25606 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 25606 _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 $AR-4Q . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'Androgen Receptor' . 25606 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 25606 _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 $AR-4Q . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . . . . pDEST-HisMBP . . . 25606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25606 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR-4Q '[U-100% 13C; U-100% 15N]' . . 1 $AR-4Q . . 0.4 . . mM . . . . 25606 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25606 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 25606 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 25606 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 25606 1 temperature 278 . K 25606 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25606 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25606 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25606 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25606 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25606 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25606 2 'peak picking' 25606 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25606 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25606 _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 . 700 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' . . 25606 1 2 spectrometer_2 Bruker Avance . 950 . . . 25606 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 25606 _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 . . . . . . . . . . . . . . . . 25606 1 2 '2D CON-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25606 1 3 '4D HCBCACON-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25606 1 4 '4D HCBCANCO-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25606 1 5 '4D (HACA)CON(CA)CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25606 1 6 '4D (HN)CON(CA)CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25606 1 7 '3D TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25606 1 8 '4D TROSY (H)NCO(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25606 1 9 '4D TROSY HN(COCA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25606 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 25606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25606 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25606 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25606 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 25606 _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' . . . 25606 1 2 '2D CON-IPAP' . . . 25606 1 3 '4D HCBCACON-IPAP' . . . 25606 1 4 '4D HCBCANCO-IPAP' . . . 25606 1 5 '4D (HACA)CON(CA)CON' . . . 25606 1 6 '4D (HN)CON(CA)CON' . . . 25606 1 7 '3D TROSY HNCO' . . . 25606 1 8 '4D TROSY (H)NCO(CA)NNH' . . . 25606 1 9 '4D TROSY HN(COCA)NNH' . . . 25606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.84 0.01 . 1 . . . . 1 GLY HA2 . 25606 1 2 . 1 1 1 1 GLY HA3 H 1 3.84 0.01 . 1 . . . . 1 GLY HA3 . 25606 1 3 . 1 1 1 1 GLY C C 13 170.78 0.05 . 1 . . . . 1 GLY C . 25606 1 4 . 1 1 1 1 GLY CA C 13 43.46 0.05 . 1 . . . . 1 GLY CA . 25606 1 5 . 1 1 2 2 MET HA H 1 4.48 0.01 . 1 . . . . 2 MET HA . 25606 1 6 . 1 1 2 2 MET HB2 H 1 2.09 0.01 . 2 . . . . 2 MET HB2 . 25606 1 7 . 1 1 2 2 MET HB3 H 1 1.98 0.01 . 2 . . . . 2 MET HB3 . 25606 1 8 . 1 1 2 2 MET C C 13 176.24 0.05 . 1 . . . . 2 MET C . 25606 1 9 . 1 1 2 2 MET CA C 13 55.55 0.05 . 1 . . . . 2 MET CA . 25606 1 10 . 1 1 2 2 MET CB C 13 32.79 0.05 . 1 . . . . 2 MET CB . 25606 1 11 . 1 1 2 2 MET N N 15 120.01 0.03 . 1 . . . . 2 MET N . 25606 1 12 . 1 1 3 3 GLU H H 1 8.88 0.01 . 1 . . . . 3 GLU H . 25606 1 13 . 1 1 3 3 GLU HA H 1 4.28 0.01 . 1 . . . . 3 GLU HA . 25606 1 14 . 1 1 3 3 GLU HB2 H 1 2.01 0.01 . 2 . . . . 3 GLU HB2 . 25606 1 15 . 1 1 3 3 GLU HB3 H 1 1.94 0.01 . 2 . . . . 3 GLU HB3 . 25606 1 16 . 1 1 3 3 GLU C C 13 176.62 0.05 . 1 . . . . 3 GLU C . 25606 1 17 . 1 1 3 3 GLU CA C 13 56.90 0.05 . 1 . . . . 3 GLU CA . 25606 1 18 . 1 1 3 3 GLU CB C 13 29.86 0.05 . 1 . . . . 3 GLU CB . 25606 1 19 . 1 1 3 3 GLU N N 15 123.23 0.03 . 1 . . . . 3 GLU N . 25606 1 20 . 1 1 4 4 VAL H H 1 8.39 0.01 . 1 . . . . 4 VAL H . 25606 1 21 . 1 1 4 4 VAL HA H 1 4.03 0.01 . 1 . . . . 4 VAL HA . 25606 1 22 . 1 1 4 4 VAL HB H 1 2.04 0.01 . 1 . . . . 4 VAL HB . 25606 1 23 . 1 1 4 4 VAL C C 13 176.22 0.05 . 1 . . . . 4 VAL C . 25606 1 24 . 1 1 4 4 VAL CA C 13 62.63 0.05 . 1 . . . . 4 VAL CA . 25606 1 25 . 1 1 4 4 VAL CB C 13 32.70 0.05 . 1 . . . . 4 VAL CB . 25606 1 26 . 1 1 4 4 VAL N N 15 122.47 0.03 . 1 . . . . 4 VAL N . 25606 1 27 . 1 1 5 5 GLN H H 1 8.60 0.01 . 1 . . . . 5 GLN H . 25606 1 28 . 1 1 5 5 GLN HA H 1 4.33 0.01 . 1 . . . . 5 GLN HA . 25606 1 29 . 1 1 5 5 GLN HB2 H 1 2.07 0.01 . 2 . . . . 5 GLN HB2 . 25606 1 30 . 1 1 5 5 GLN HB3 H 1 1.98 0.01 . 2 . . . . 5 GLN HB3 . 25606 1 31 . 1 1 5 5 GLN C C 13 175.96 0.05 . 1 . . . . 5 GLN C . 25606 1 32 . 1 1 5 5 GLN CA C 13 55.63 0.05 . 1 . . . . 5 GLN CA . 25606 1 33 . 1 1 5 5 GLN CB C 13 29.35 0.05 . 1 . . . . 5 GLN CB . 25606 1 34 . 1 1 5 5 GLN N N 15 124.84 0.03 . 1 . . . . 5 GLN N . 25606 1 35 . 1 1 6 6 LEU H H 1 8.53 0.01 . 1 . . . . 6 LEU H . 25606 1 36 . 1 1 6 6 LEU HA H 1 4.34 0.01 . 1 . . . . 6 LEU HA . 25606 1 37 . 1 1 6 6 LEU HB2 H 1 1.67 0.01 . 2 . . . . 6 LEU HB2 . 25606 1 38 . 1 1 6 6 LEU HB3 H 1 1.55 0.01 . 2 . . . . 6 LEU HB3 . 25606 1 39 . 1 1 6 6 LEU C C 13 178.06 0.05 . 1 . . . . 6 LEU C . 25606 1 40 . 1 1 6 6 LEU CA C 13 55.32 0.05 . 1 . . . . 6 LEU CA . 25606 1 41 . 1 1 6 6 LEU CB C 13 42.42 0.05 . 1 . . . . 6 LEU CB . 25606 1 42 . 1 1 6 6 LEU N N 15 124.36 0.03 . 1 . . . . 6 LEU N . 25606 1 43 . 1 1 7 7 GLY H H 1 8.56 0.01 . 1 . . . . 7 GLY H . 25606 1 44 . 1 1 7 7 GLY HA2 H 1 3.93 0.01 . 1 . . . . 7 GLY HA2 . 25606 1 45 . 1 1 7 7 GLY HA3 H 1 3.93 0.01 . 1 . . . . 7 GLY HA3 . 25606 1 46 . 1 1 7 7 GLY C C 13 174.39 0.05 . 1 . . . . 7 GLY C . 25606 1 47 . 1 1 7 7 GLY CA C 13 45.36 0.05 . 1 . . . . 7 GLY CA . 25606 1 48 . 1 1 7 7 GLY N N 15 109.59 0.03 . 1 . . . . 7 GLY N . 25606 1 49 . 1 1 8 8 LEU H H 1 8.28 0.01 . 1 . . . . 8 LEU H . 25606 1 50 . 1 1 8 8 LEU HA H 1 4.33 0.01 . 1 . . . . 8 LEU HA . 25606 1 51 . 1 1 8 8 LEU HB2 H 1 1.66 0.01 . 2 . . . . 8 LEU HB2 . 25606 1 52 . 1 1 8 8 LEU HB3 H 1 1.60 0.01 . 2 . . . . 8 LEU HB3 . 25606 1 53 . 1 1 8 8 LEU C C 13 178.18 0.05 . 1 . . . . 8 LEU C . 25606 1 54 . 1 1 8 8 LEU CA C 13 55.36 0.05 . 1 . . . . 8 LEU CA . 25606 1 55 . 1 1 8 8 LEU CB C 13 42.23 0.05 . 1 . . . . 8 LEU CB . 25606 1 56 . 1 1 8 8 LEU N N 15 121.63 0.03 . 1 . . . . 8 LEU N . 25606 1 57 . 1 1 9 9 GLY H H 1 8.60 0.01 . 1 . . . . 9 GLY H . 25606 1 58 . 1 1 9 9 GLY HA2 H 1 3.91 0.01 . 1 . . . . 9 GLY HA2 . 25606 1 59 . 1 1 9 9 GLY HA3 H 1 3.91 0.01 . 1 . . . . 9 GLY HA3 . 25606 1 60 . 1 1 9 9 GLY C C 13 173.88 0.05 . 1 . . . . 9 GLY C . 25606 1 61 . 1 1 9 9 GLY CA C 13 45.19 0.05 . 1 . . . . 9 GLY CA . 25606 1 62 . 1 1 9 9 GLY N N 15 109.70 0.03 . 1 . . . . 9 GLY N . 25606 1 63 . 1 1 10 10 ARG H H 1 8.15 0.01 . 1 . . . . 10 ARG H . 25606 1 64 . 1 1 10 10 ARG HA H 1 4.25 0.01 . 1 . . . . 10 ARG HA . 25606 1 65 . 1 1 10 10 ARG HB2 H 1 1.67 0.01 . 2 . . . . 10 ARG HB2 . 25606 1 66 . 1 1 10 10 ARG HB3 H 1 1.67 0.01 . 2 . . . . 10 ARG HB3 . 25606 1 67 . 1 1 10 10 ARG C C 13 175.72 0.05 . 1 . . . . 10 ARG C . 25606 1 68 . 1 1 10 10 ARG CA C 13 55.99 0.05 . 1 . . . . 10 ARG CA . 25606 1 69 . 1 1 10 10 ARG CB C 13 30.89 0.05 . 1 . . . . 10 ARG CB . 25606 1 70 . 1 1 10 10 ARG N N 15 120.77 0.03 . 1 . . . . 10 ARG N . 25606 1 71 . 1 1 11 11 VAL H H 1 8.27 0.01 . 1 . . . . 11 VAL H . 25606 1 72 . 1 1 11 11 VAL HA H 1 4.10 0.01 . 1 . . . . 11 VAL HA . 25606 1 73 . 1 1 11 11 VAL HB H 1 1.92 0.01 . 1 . . . . 11 VAL HB . 25606 1 74 . 1 1 11 11 VAL C C 13 175.58 0.05 . 1 . . . . 11 VAL C . 25606 1 75 . 1 1 11 11 VAL CA C 13 61.75 0.05 . 1 . . . . 11 VAL CA . 25606 1 76 . 1 1 11 11 VAL CB C 13 33.06 0.05 . 1 . . . . 11 VAL CB . 25606 1 77 . 1 1 11 11 VAL N N 15 122.18 0.03 . 1 . . . . 11 VAL N . 25606 1 78 . 1 1 12 12 TYR H H 1 8.60 0.01 . 1 . . . . 12 TYR H . 25606 1 79 . 1 1 12 12 TYR HA H 1 4.82 0.01 . 1 . . . . 12 TYR HA . 25606 1 80 . 1 1 12 12 TYR HB2 H 1 3.08 0.01 . 2 . . . . 12 TYR HB2 . 25606 1 81 . 1 1 12 12 TYR HB3 H 1 3.08 0.01 . 2 . . . . 12 TYR HB3 . 25606 1 82 . 1 1 12 12 TYR C C 13 173.75 0.05 . 1 . . . . 12 TYR C . 25606 1 83 . 1 1 12 12 TYR CA C 13 55.75 0.05 . 1 . . . . 12 TYR CA . 25606 1 84 . 1 1 12 12 TYR CB C 13 38.36 0.05 . 1 . . . . 12 TYR CB . 25606 1 85 . 1 1 12 12 TYR N N 15 126.35 0.03 . 1 . . . . 12 TYR N . 25606 1 86 . 1 1 13 13 PRO N N 15 136.64 0.03 . 1 . . . . 13 PRO N . 25606 1 87 . 1 1 14 14 ARG HA H 1 4.59 0.01 . 1 . . . . 14 ARG HA . 25606 1 88 . 1 1 14 14 ARG HB2 H 1 1.82 0.01 . 2 . . . . 14 ARG HB2 . 25606 1 89 . 1 1 14 14 ARG HB3 H 1 1.70 0.01 . 2 . . . . 14 ARG HB3 . 25606 1 90 . 1 1 14 14 ARG C C 13 174.02 0.05 . 1 . . . . 14 ARG C . 25606 1 91 . 1 1 14 14 ARG CA C 13 53.91 0.05 . 1 . . . . 14 ARG CA . 25606 1 92 . 1 1 14 14 ARG CB C 13 30.29 0.05 . 1 . . . . 14 ARG CB . 25606 1 93 . 1 1 15 15 PRO HA H 1 4.70 0.01 . 1 . . . . 15 PRO HA . 25606 1 94 . 1 1 15 15 PRO C C 13 174.67 0.05 . 1 . . . . 15 PRO C . 25606 1 95 . 1 1 15 15 PRO CA C 13 61.49 0.05 . 1 . . . . 15 PRO CA . 25606 1 96 . 1 1 15 15 PRO N N 15 138.79 0.03 . 1 . . . . 15 PRO N . 25606 1 97 . 1 1 16 16 PRO HA H 1 4.47 0.01 . 1 . . . . 16 PRO HA . 25606 1 98 . 1 1 16 16 PRO C C 13 176.98 0.05 . 1 . . . . 16 PRO C . 25606 1 99 . 1 1 16 16 PRO CA C 13 62.91 0.05 . 1 . . . . 16 PRO CA . 25606 1 100 . 1 1 16 16 PRO N N 15 135.60 0.03 . 1 . . . . 16 PRO N . 25606 1 101 . 1 1 17 17 SER H H 1 8.60 0.01 . 1 . . . . 17 SER H . 25606 1 102 . 1 1 17 17 SER HA H 1 4.41 0.01 . 1 . . . . 17 SER HA . 25606 1 103 . 1 1 17 17 SER HB2 H 1 3.89 0.01 . 2 . . . . 17 SER HB2 . 25606 1 104 . 1 1 17 17 SER HB3 H 1 3.89 0.01 . 2 . . . . 17 SER HB3 . 25606 1 105 . 1 1 17 17 SER C C 13 174.85 0.05 . 1 . . . . 17 SER C . 25606 1 106 . 1 1 17 17 SER CA C 13 58.39 0.05 . 1 . . . . 17 SER CA . 25606 1 107 . 1 1 17 17 SER CB C 13 63.80 0.05 . 1 . . . . 17 SER CB . 25606 1 108 . 1 1 17 17 SER N N 15 116.71 0.03 . 1 . . . . 17 SER N . 25606 1 109 . 1 1 18 18 LYS H H 1 8.66 0.01 . 1 . . . . 18 LYS H . 25606 1 110 . 1 1 18 18 LYS HA H 1 4.34 0.01 . 1 . . . . 18 LYS HA . 25606 1 111 . 1 1 18 18 LYS HB2 H 1 1.89 0.01 . 2 . . . . 18 LYS HB2 . 25606 1 112 . 1 1 18 18 LYS HB3 H 1 1.89 0.01 . 2 . . . . 18 LYS HB3 . 25606 1 113 . 1 1 18 18 LYS C C 13 176.64 0.05 . 1 . . . . 18 LYS C . 25606 1 114 . 1 1 18 18 LYS CA C 13 56.54 0.05 . 1 . . . . 18 LYS CA . 25606 1 115 . 1 1 18 18 LYS CB C 13 32.88 0.05 . 1 . . . . 18 LYS CB . 25606 1 116 . 1 1 18 18 LYS N N 15 123.65 0.03 . 1 . . . . 18 LYS N . 25606 1 117 . 1 1 19 19 THR H H 1 8.24 0.01 . 1 . . . . 19 THR H . 25606 1 118 . 1 1 19 19 THR C C 13 174.08 0.05 . 1 . . . . 19 THR C . 25606 1 119 . 1 1 19 19 THR N N 15 115.13 0.03 . 1 . . . . 19 THR N . 25606 1 120 . 1 1 20 20 TYR H H 1 8.39 0.01 . 1 . . . . 20 TYR H . 25606 1 121 . 1 1 20 20 TYR C C 13 175.62 0.05 . 1 . . . . 20 TYR C . 25606 1 122 . 1 1 20 20 TYR N N 15 123.77 0.03 . 1 . . . . 20 TYR N . 25606 1 123 . 1 1 21 21 ARG H H 1 8.48 0.01 . 1 . . . . 21 ARG H . 25606 1 124 . 1 1 21 21 ARG C C 13 176.26 0.05 . 1 . . . . 21 ARG C . 25606 1 125 . 1 1 21 21 ARG N N 15 124.65 0.03 . 1 . . . . 21 ARG N . 25606 1 126 . 1 1 22 22 GLY H H 1 7.78 0.01 . 1 . . . . 22 GLY H . 25606 1 127 . 1 1 22 22 GLY HA2 H 1 3.85 0.01 . 1 . . . . 22 GLY HA2 . 25606 1 128 . 1 1 22 22 GLY HA3 H 1 3.85 0.01 . 1 . . . . 22 GLY HA3 . 25606 1 129 . 1 1 22 22 GLY C C 13 173.56 0.05 . 1 . . . . 22 GLY C . 25606 1 130 . 1 1 22 22 GLY CA C 13 45.06 0.05 . 1 . . . . 22 GLY CA . 25606 1 131 . 1 1 22 22 GLY N N 15 109.27 0.03 . 1 . . . . 22 GLY N . 25606 1 132 . 1 1 23 23 ALA H H 1 8.28 0.01 . 1 . . . . 23 ALA H . 25606 1 133 . 1 1 23 23 ALA HA H 1 4.23 0.01 . 1 . . . . 23 ALA HA . 25606 1 134 . 1 1 23 23 ALA HB1 H 1 1.25 0.01 . 1 . . . . 23 ALA HB1 . 25606 1 135 . 1 1 23 23 ALA HB2 H 1 1.25 0.01 . 1 . . . . 23 ALA HB2 . 25606 1 136 . 1 1 23 23 ALA HB3 H 1 1.25 0.01 . 1 . . . . 23 ALA HB3 . 25606 1 137 . 1 1 23 23 ALA C C 13 177.81 0.05 . 1 . . . . 23 ALA C . 25606 1 138 . 1 1 23 23 ALA CA C 13 52.59 0.05 . 1 . . . . 23 ALA CA . 25606 1 139 . 1 1 23 23 ALA CB C 13 19.18 0.05 . 1 . . . . 23 ALA CB . 25606 1 140 . 1 1 23 23 ALA N N 15 123.41 0.03 . 1 . . . . 23 ALA N . 25606 1 141 . 1 1 24 24 PHE H H 1 8.37 0.01 . 1 . . . . 24 PHE H . 25606 1 142 . 1 1 24 24 PHE C C 13 175.78 0.05 . 1 . . . . 24 PHE C . 25606 1 143 . 1 1 24 24 PHE N N 15 119.40 0.03 . 1 . . . . 24 PHE N . 25606 1 144 . 1 1 25 25 GLN H H 1 8.29 0.01 . 1 . . . . 25 GLN H . 25606 1 145 . 1 1 25 25 GLN C C 13 175.21 0.05 . 1 . . . . 25 GLN C . 25606 1 146 . 1 1 25 25 GLN N N 15 121.79 0.03 . 1 . . . . 25 GLN N . 25606 1 147 . 1 1 26 26 ASN H H 1 8.47 0.01 . 1 . . . . 26 ASN H . 25606 1 148 . 1 1 26 26 ASN HA H 1 4.60 0.01 . 1 . . . . 26 ASN HA . 25606 1 149 . 1 1 26 26 ASN HB2 H 1 2.79 0.01 . 2 . . . . 26 ASN HB2 . 25606 1 150 . 1 1 26 26 ASN HB3 H 1 2.70 0.01 . 2 . . . . 26 ASN HB3 . 25606 1 151 . 1 1 26 26 ASN C C 13 175.22 0.05 . 1 . . . . 26 ASN C . 25606 1 152 . 1 1 26 26 ASN CA C 13 53.24 0.05 . 1 . . . . 26 ASN CA . 25606 1 153 . 1 1 26 26 ASN CB C 13 38.71 0.05 . 1 . . . . 26 ASN CB . 25606 1 154 . 1 1 26 26 ASN N N 15 119.72 0.03 . 1 . . . . 26 ASN N . 25606 1 155 . 1 1 27 27 LEU H H 1 8.26 0.01 . 1 . . . . 27 LEU H . 25606 1 156 . 1 1 27 27 LEU HA H 1 4.23 0.01 . 1 . . . . 27 LEU HA . 25606 1 157 . 1 1 27 27 LEU C C 13 177.22 0.05 . 1 . . . . 27 LEU C . 25606 1 158 . 1 1 27 27 LEU CA C 13 55.42 0.05 . 1 . . . . 27 LEU CA . 25606 1 159 . 1 1 27 27 LEU N N 15 122.50 0.03 . 1 . . . . 27 LEU N . 25606 1 160 . 1 1 28 28 PHE H H 1 8.29 0.01 . 1 . . . . 28 PHE H . 25606 1 161 . 1 1 28 28 PHE HA H 1 4.58 0.01 . 1 . . . . 28 PHE HA . 25606 1 162 . 1 1 28 28 PHE HB2 H 1 3.16 0.01 . 2 . . . . 28 PHE HB2 . 25606 1 163 . 1 1 28 28 PHE HB3 H 1 3.00 0.01 . 2 . . . . 28 PHE HB3 . 25606 1 164 . 1 1 28 28 PHE C C 13 175.66 0.05 . 1 . . . . 28 PHE C . 25606 1 165 . 1 1 28 28 PHE CA C 13 57.76 0.05 . 1 . . . . 28 PHE CA . 25606 1 166 . 1 1 28 28 PHE CB C 13 39.07 0.05 . 1 . . . . 28 PHE CB . 25606 1 167 . 1 1 28 28 PHE N N 15 120.17 0.03 . 1 . . . . 28 PHE N . 25606 1 168 . 1 1 29 29 GLN H H 1 8.24 0.01 . 1 . . . . 29 GLN H . 25606 1 169 . 1 1 29 29 GLN HA H 1 4.30 0.01 . 1 . . . . 29 GLN HA . 25606 1 170 . 1 1 29 29 GLN HB2 H 1 2.05 0.01 . 2 . . . . 29 GLN HB2 . 25606 1 171 . 1 1 29 29 GLN HB3 H 1 2.05 0.01 . 2 . . . . 29 GLN HB3 . 25606 1 172 . 1 1 29 29 GLN C C 13 175.54 0.05 . 1 . . . . 29 GLN C . 25606 1 173 . 1 1 29 29 GLN CA C 13 55.68 0.05 . 1 . . . . 29 GLN CA . 25606 1 174 . 1 1 29 29 GLN CB C 13 29.69 0.05 . 1 . . . . 29 GLN CB . 25606 1 175 . 1 1 29 29 GLN N N 15 121.79 0.03 . 1 . . . . 29 GLN N . 25606 1 176 . 1 1 30 30 SER H H 1 8.44 0.01 . 1 . . . . 30 SER H . 25606 1 177 . 1 1 30 30 SER HA H 1 4.41 0.01 . 1 . . . . 30 SER HA . 25606 1 178 . 1 1 30 30 SER HB2 H 1 3.86 0.01 . 2 . . . . 30 SER HB2 . 25606 1 179 . 1 1 30 30 SER HB3 H 1 3.86 0.01 . 2 . . . . 30 SER HB3 . 25606 1 180 . 1 1 30 30 SER C C 13 174.58 0.05 . 1 . . . . 30 SER C . 25606 1 181 . 1 1 30 30 SER CA C 13 58.50 0.05 . 1 . . . . 30 SER CA . 25606 1 182 . 1 1 30 30 SER CB C 13 63.76 0.05 . 1 . . . . 30 SER CB . 25606 1 183 . 1 1 30 30 SER N N 15 117.70 0.03 . 1 . . . . 30 SER N . 25606 1 184 . 1 1 31 31 VAL H H 1 8.32 0.01 . 1 . . . . 31 VAL H . 25606 1 185 . 1 1 31 31 VAL HA H 1 4.11 0.01 . 1 . . . . 31 VAL HA . 25606 1 186 . 1 1 31 31 VAL HB H 1 2.07 0.01 . 1 . . . . 31 VAL HB . 25606 1 187 . 1 1 31 31 VAL C C 13 176.14 0.05 . 1 . . . . 31 VAL C . 25606 1 188 . 1 1 31 31 VAL CA C 13 62.42 0.05 . 1 . . . . 31 VAL CA . 25606 1 189 . 1 1 31 31 VAL CB C 13 32.73 0.05 . 1 . . . . 31 VAL CB . 25606 1 190 . 1 1 31 31 VAL N N 15 122.16 0.03 . 1 . . . . 31 VAL N . 25606 1 191 . 1 1 32 32 ARG H H 1 8.47 0.01 . 1 . . . . 32 ARG H . 25606 1 192 . 1 1 32 32 ARG HA H 1 4.29 0.01 . 1 . . . . 32 ARG HA . 25606 1 193 . 1 1 32 32 ARG HB2 H 1 1.81 0.01 . 2 . . . . 32 ARG HB2 . 25606 1 194 . 1 1 32 32 ARG HB3 H 1 1.73 0.01 . 2 . . . . 32 ARG HB3 . 25606 1 195 . 1 1 32 32 ARG C C 13 176.14 0.05 . 1 . . . . 32 ARG C . 25606 1 196 . 1 1 32 32 ARG CA C 13 56.14 0.05 . 1 . . . . 32 ARG CA . 25606 1 197 . 1 1 32 32 ARG CB C 13 30.87 0.05 . 1 . . . . 32 ARG CB . 25606 1 198 . 1 1 32 32 ARG N N 15 125.04 0.03 . 1 . . . . 32 ARG N . 25606 1 199 . 1 1 33 33 GLU H H 1 8.51 0.01 . 1 . . . . 33 GLU H . 25606 1 200 . 1 1 33 33 GLU HA H 1 4.26 0.01 . 1 . . . . 33 GLU HA . 25606 1 201 . 1 1 33 33 GLU HB2 H 1 1.98 0.01 . 2 . . . . 33 GLU HB2 . 25606 1 202 . 1 1 33 33 GLU HB3 H 1 1.92 0.01 . 2 . . . . 33 GLU HB3 . 25606 1 203 . 1 1 33 33 GLU C C 13 176.20 0.05 . 1 . . . . 33 GLU C . 25606 1 204 . 1 1 33 33 GLU CA C 13 56.41 0.05 . 1 . . . . 33 GLU CA . 25606 1 205 . 1 1 33 33 GLU CB C 13 30.47 0.05 . 1 . . . . 33 GLU CB . 25606 1 206 . 1 1 33 33 GLU N N 15 123.03 0.03 . 1 . . . . 33 GLU N . 25606 1 207 . 1 1 34 34 VAL H H 1 8.42 0.01 . 1 . . . . 34 VAL H . 25606 1 208 . 1 1 34 34 VAL HA H 1 4.03 0.01 . 1 . . . . 34 VAL HA . 25606 1 209 . 1 1 34 34 VAL HB H 1 2.00 0.01 . 1 . . . . 34 VAL HB . 25606 1 210 . 1 1 34 34 VAL C C 13 176.13 0.05 . 1 . . . . 34 VAL C . 25606 1 211 . 1 1 34 34 VAL CA C 13 62.51 0.05 . 1 . . . . 34 VAL CA . 25606 1 212 . 1 1 34 34 VAL CB C 13 32.76 0.05 . 1 . . . . 34 VAL CB . 25606 1 213 . 1 1 34 34 VAL N N 15 123.15 0.03 . 1 . . . . 34 VAL N . 25606 1 214 . 1 1 35 35 ILE H H 1 8.42 0.01 . 1 . . . . 35 ILE H . 25606 1 215 . 1 1 35 35 ILE HA H 1 4.12 0.01 . 1 . . . . 35 ILE HA . 25606 1 216 . 1 1 35 35 ILE HB H 1 1.82 0.01 . 1 . . . . 35 ILE HB . 25606 1 217 . 1 1 35 35 ILE C C 13 176.17 0.05 . 1 . . . . 35 ILE C . 25606 1 218 . 1 1 35 35 ILE CA C 13 60.83 0.05 . 1 . . . . 35 ILE CA . 25606 1 219 . 1 1 35 35 ILE CB C 13 38.34 0.05 . 1 . . . . 35 ILE CB . 25606 1 220 . 1 1 35 35 ILE N N 15 126.39 0.03 . 1 . . . . 35 ILE N . 25606 1 221 . 1 1 36 36 GLN H H 1 8.66 0.01 . 1 . . . . 36 GLN H . 25606 1 222 . 1 1 36 36 GLN HA H 1 4.28 0.01 . 1 . . . . 36 GLN HA . 25606 1 223 . 1 1 36 36 GLN HB2 H 1 2.03 0.01 . 2 . . . . 36 GLN HB2 . 25606 1 224 . 1 1 36 36 GLN HB3 H 1 1.92 0.01 . 2 . . . . 36 GLN HB3 . 25606 1 225 . 1 1 36 36 GLN C C 13 175.32 0.05 . 1 . . . . 36 GLN C . 25606 1 226 . 1 1 36 36 GLN CA C 13 55.60 0.05 . 1 . . . . 36 GLN CA . 25606 1 227 . 1 1 36 36 GLN CB C 13 29.52 0.05 . 1 . . . . 36 GLN CB . 25606 1 228 . 1 1 36 36 GLN N N 15 125.57 0.03 . 1 . . . . 36 GLN N . 25606 1 229 . 1 1 37 37 ASN H H 1 8.71 0.01 . 1 . . . . 37 ASN H . 25606 1 230 . 1 1 37 37 ASN HA H 1 4.94 0.01 . 1 . . . . 37 ASN HA . 25606 1 231 . 1 1 37 37 ASN HB2 H 1 2.81 0.01 . 2 . . . . 37 ASN HB2 . 25606 1 232 . 1 1 37 37 ASN HB3 H 1 2.67 0.01 . 2 . . . . 37 ASN HB3 . 25606 1 233 . 1 1 37 37 ASN C C 13 173.23 0.05 . 1 . . . . 37 ASN C . 25606 1 234 . 1 1 37 37 ASN CA C 13 51.50 0.05 . 1 . . . . 37 ASN CA . 25606 1 235 . 1 1 37 37 ASN CB C 13 38.65 0.05 . 1 . . . . 37 ASN CB . 25606 1 236 . 1 1 37 37 ASN N N 15 121.46 0.03 . 1 . . . . 37 ASN N . 25606 1 237 . 1 1 38 38 PRO HA H 1 4.44 0.01 . 1 . . . . 38 PRO HA . 25606 1 238 . 1 1 38 38 PRO HB2 H 1 2.24 0.01 . 2 . . . . 38 PRO HB2 . 25606 1 239 . 1 1 38 38 PRO HB3 H 1 2.00 0.01 . 2 . . . . 38 PRO HB3 . 25606 1 240 . 1 1 38 38 PRO C C 13 177.09 0.05 . 1 . . . . 38 PRO C . 25606 1 241 . 1 1 38 38 PRO CA C 13 63.41 0.05 . 1 . . . . 38 PRO CA . 25606 1 242 . 1 1 38 38 PRO CB C 13 32.24 0.05 . 1 . . . . 38 PRO CB . 25606 1 243 . 1 1 38 38 PRO N N 15 136.73 0.03 . 1 . . . . 38 PRO N . 25606 1 244 . 1 1 39 39 GLY H H 1 8.38 0.01 . 1 . . . . 39 GLY H . 25606 1 245 . 1 1 39 39 GLY HA2 H 1 4.07 0.01 . 1 . . . . 39 GLY HA2 . 25606 1 246 . 1 1 39 39 GLY HA3 H 1 4.07 0.01 . 1 . . . . 39 GLY HA3 . 25606 1 247 . 1 1 39 39 GLY C C 13 171.62 0.05 . 1 . . . . 39 GLY C . 25606 1 248 . 1 1 39 39 GLY CA C 13 44.38 0.05 . 1 . . . . 39 GLY CA . 25606 1 249 . 1 1 39 39 GLY N N 15 109.28 0.03 . 1 . . . . 39 GLY N . 25606 1 250 . 1 1 40 40 PRO HA H 1 4.38 0.01 . 1 . . . . 40 PRO HA . 25606 1 251 . 1 1 40 40 PRO HB2 H 1 2.25 0.01 . 2 . . . . 40 PRO HB2 . 25606 1 252 . 1 1 40 40 PRO HB3 H 1 1.81 0.01 . 2 . . . . 40 PRO HB3 . 25606 1 253 . 1 1 40 40 PRO C C 13 177.02 0.05 . 1 . . . . 40 PRO C . 25606 1 254 . 1 1 40 40 PRO CA C 13 63.04 0.05 . 1 . . . . 40 PRO CA . 25606 1 255 . 1 1 40 40 PRO CB C 13 32.18 0.05 . 1 . . . . 40 PRO CB . 25606 1 256 . 1 1 40 40 PRO N N 15 134.30 0.03 . 1 . . . . 40 PRO N . 25606 1 257 . 1 1 41 41 ARG H H 1 8.59 0.01 . 1 . . . . 41 ARG H . 25606 1 258 . 1 1 41 41 ARG HA H 1 4.26 0.01 . 1 . . . . 41 ARG HA . 25606 1 259 . 1 1 41 41 ARG HB2 H 1 1.72 0.01 . 2 . . . . 41 ARG HB2 . 25606 1 260 . 1 1 41 41 ARG HB3 H 1 1.72 0.01 . 2 . . . . 41 ARG HB3 . 25606 1 261 . 1 1 41 41 ARG C C 13 176.02 0.05 . 1 . . . . 41 ARG C . 25606 1 262 . 1 1 41 41 ARG CA C 13 55.85 0.05 . 1 . . . . 41 ARG CA . 25606 1 263 . 1 1 41 41 ARG CB C 13 30.79 0.05 . 1 . . . . 41 ARG CB . 25606 1 264 . 1 1 41 41 ARG N N 15 121.65 0.03 . 1 . . . . 41 ARG N . 25606 1 265 . 1 1 42 42 HIS H H 1 8.52 0.01 . 1 . . . . 42 HIS H . 25606 1 266 . 1 1 42 42 HIS HA H 1 4.88 0.01 . 1 . . . . 42 HIS HA . 25606 1 267 . 1 1 42 42 HIS HB2 H 1 3.11 0.01 . 2 . . . . 42 HIS HB2 . 25606 1 268 . 1 1 42 42 HIS HB3 H 1 3.02 0.01 . 2 . . . . 42 HIS HB3 . 25606 1 269 . 1 1 42 42 HIS C C 13 173.73 0.05 . 1 . . . . 42 HIS C . 25606 1 270 . 1 1 42 42 HIS CA C 13 54.27 0.05 . 1 . . . . 42 HIS CA . 25606 1 271 . 1 1 42 42 HIS CB C 13 30.21 0.05 . 1 . . . . 42 HIS CB . 25606 1 272 . 1 1 42 42 HIS N N 15 122.54 0.03 . 1 . . . . 42 HIS N . 25606 1 273 . 1 1 43 43 PRO HA H 1 4.39 0.01 . 1 . . . . 43 PRO HA . 25606 1 274 . 1 1 43 43 PRO HB2 H 1 2.28 0.01 . 2 . . . . 43 PRO HB2 . 25606 1 275 . 1 1 43 43 PRO HB3 H 1 1.91 0.01 . 2 . . . . 43 PRO HB3 . 25606 1 276 . 1 1 43 43 PRO C C 13 177.07 0.05 . 1 . . . . 43 PRO C . 25606 1 277 . 1 1 43 43 PRO CA C 13 63.40 0.05 . 1 . . . . 43 PRO CA . 25606 1 278 . 1 1 43 43 PRO CB C 13 32.05 0.05 . 1 . . . . 43 PRO CB . 25606 1 279 . 1 1 43 43 PRO N N 15 137.59 0.03 . 1 . . . . 43 PRO N . 25606 1 280 . 1 1 44 44 GLU H H 1 8.94 0.01 . 1 . . . . 44 GLU H . 25606 1 281 . 1 1 44 44 GLU HA H 1 4.27 0.01 . 1 . . . . 44 GLU HA . 25606 1 282 . 1 1 44 44 GLU HB2 H 1 2.08 0.01 . 2 . . . . 44 GLU HB2 . 25606 1 283 . 1 1 44 44 GLU HB3 H 1 1.94 0.01 . 2 . . . . 44 GLU HB3 . 25606 1 284 . 1 1 44 44 GLU C C 13 176.47 0.05 . 1 . . . . 44 GLU C . 25606 1 285 . 1 1 44 44 GLU CA C 13 56.35 0.05 . 1 . . . . 44 GLU CA . 25606 1 286 . 1 1 44 44 GLU CB C 13 30.22 0.05 . 1 . . . . 44 GLU CB . 25606 1 287 . 1 1 44 44 GLU N N 15 121.58 0.03 . 1 . . . . 44 GLU N . 25606 1 288 . 1 1 45 45 ALA H H 1 8.46 0.01 . 1 . . . . 45 ALA H . 25606 1 289 . 1 1 45 45 ALA HA H 1 4.27 0.01 . 1 . . . . 45 ALA HA . 25606 1 290 . 1 1 45 45 ALA HB1 H 1 1.40 0.01 . 1 . . . . 45 ALA HB1 . 25606 1 291 . 1 1 45 45 ALA HB2 H 1 1.40 0.01 . 1 . . . . 45 ALA HB2 . 25606 1 292 . 1 1 45 45 ALA HB3 H 1 1.40 0.01 . 1 . . . . 45 ALA HB3 . 25606 1 293 . 1 1 45 45 ALA C C 13 177.69 0.05 . 1 . . . . 45 ALA C . 25606 1 294 . 1 1 45 45 ALA CA C 13 52.53 0.05 . 1 . . . . 45 ALA CA . 25606 1 295 . 1 1 45 45 ALA CB C 13 19.22 0.05 . 1 . . . . 45 ALA CB . 25606 1 296 . 1 1 45 45 ALA N N 15 125.57 0.03 . 1 . . . . 45 ALA N . 25606 1 297 . 1 1 46 46 ALA H H 1 8.46 0.01 . 1 . . . . 46 ALA H . 25606 1 298 . 1 1 46 46 ALA HA H 1 4.30 0.01 . 1 . . . . 46 ALA HA . 25606 1 299 . 1 1 46 46 ALA HB1 H 1 1.40 0.01 . 1 . . . . 46 ALA HB1 . 25606 1 300 . 1 1 46 46 ALA HB2 H 1 1.40 0.01 . 1 . . . . 46 ALA HB2 . 25606 1 301 . 1 1 46 46 ALA HB3 H 1 1.40 0.01 . 1 . . . . 46 ALA HB3 . 25606 1 302 . 1 1 46 46 ALA C C 13 177.97 0.05 . 1 . . . . 46 ALA C . 25606 1 303 . 1 1 46 46 ALA CA C 13 52.57 0.05 . 1 . . . . 46 ALA CA . 25606 1 304 . 1 1 46 46 ALA CB C 13 19.16 0.05 . 1 . . . . 46 ALA CB . 25606 1 305 . 1 1 46 46 ALA N N 15 123.73 0.03 . 1 . . . . 46 ALA N . 25606 1 306 . 1 1 47 47 SER H H 1 8.36 0.01 . 1 . . . . 47 SER H . 25606 1 307 . 1 1 47 47 SER HA H 1 4.40 0.01 . 1 . . . . 47 SER HA . 25606 1 308 . 1 1 47 47 SER HB2 H 1 3.86 0.01 . 2 . . . . 47 SER HB2 . 25606 1 309 . 1 1 47 47 SER HB3 H 1 3.86 0.01 . 2 . . . . 47 SER HB3 . 25606 1 310 . 1 1 47 47 SER C C 13 174.16 0.05 . 1 . . . . 47 SER C . 25606 1 311 . 1 1 47 47 SER CA C 13 58.19 0.05 . 1 . . . . 47 SER CA . 25606 1 312 . 1 1 47 47 SER CB C 13 63.83 0.05 . 1 . . . . 47 SER CB . 25606 1 313 . 1 1 47 47 SER N N 15 115.27 0.03 . 1 . . . . 47 SER N . 25606 1 314 . 1 1 48 48 ALA H H 1 8.39 0.01 . 1 . . . . 48 ALA H . 25606 1 315 . 1 1 48 48 ALA HA H 1 4.33 0.01 . 1 . . . . 48 ALA HA . 25606 1 316 . 1 1 48 48 ALA HB1 H 1 1.37 0.01 . 1 . . . . 48 ALA HB1 . 25606 1 317 . 1 1 48 48 ALA HB2 H 1 1.37 0.01 . 1 . . . . 48 ALA HB2 . 25606 1 318 . 1 1 48 48 ALA HB3 H 1 1.37 0.01 . 1 . . . . 48 ALA HB3 . 25606 1 319 . 1 1 48 48 ALA C C 13 177.05 0.05 . 1 . . . . 48 ALA C . 25606 1 320 . 1 1 48 48 ALA CA C 13 52.13 0.05 . 1 . . . . 48 ALA CA . 25606 1 321 . 1 1 48 48 ALA CB C 13 19.39 0.05 . 1 . . . . 48 ALA CB . 25606 1 322 . 1 1 48 48 ALA N N 15 126.23 0.03 . 1 . . . . 48 ALA N . 25606 1 323 . 1 1 49 49 ALA H H 1 8.37 0.01 . 1 . . . . 49 ALA H . 25606 1 324 . 1 1 49 49 ALA HA H 1 4.56 0.01 . 1 . . . . 49 ALA HA . 25606 1 325 . 1 1 49 49 ALA HB1 H 1 1.32 0.01 . 1 . . . . 49 ALA HB1 . 25606 1 326 . 1 1 49 49 ALA HB2 H 1 1.32 0.01 . 1 . . . . 49 ALA HB2 . 25606 1 327 . 1 1 49 49 ALA HB3 H 1 1.32 0.01 . 1 . . . . 49 ALA HB3 . 25606 1 328 . 1 1 49 49 ALA C C 13 175.00 0.05 . 1 . . . . 49 ALA C . 25606 1 329 . 1 1 49 49 ALA CA C 13 50.38 0.05 . 1 . . . . 49 ALA CA . 25606 1 330 . 1 1 49 49 ALA CB C 13 18.00 0.05 . 1 . . . . 49 ALA CB . 25606 1 331 . 1 1 49 49 ALA N N 15 125.23 0.03 . 1 . . . . 49 ALA N . 25606 1 332 . 1 1 50 50 PRO HA H 1 4.71 0.01 . 1 . . . . 50 PRO HA . 25606 1 333 . 1 1 50 50 PRO HB2 H 1 2.36 0.01 . 2 . . . . 50 PRO HB2 . 25606 1 334 . 1 1 50 50 PRO HB3 H 1 1.89 0.01 . 2 . . . . 50 PRO HB3 . 25606 1 335 . 1 1 50 50 PRO C C 13 174.90 0.05 . 1 . . . . 50 PRO C . 25606 1 336 . 1 1 50 50 PRO CA C 13 61.36 0.05 . 1 . . . . 50 PRO CA . 25606 1 337 . 1 1 50 50 PRO CB C 13 30.75 0.05 . 1 . . . . 50 PRO CB . 25606 1 338 . 1 1 50 50 PRO N N 15 137.21 0.03 . 1 . . . . 50 PRO N . 25606 1 339 . 1 1 51 51 PRO HA H 1 4.40 0.01 . 1 . . . . 51 PRO HA . 25606 1 340 . 1 1 51 51 PRO HB2 H 1 2.31 0.01 . 2 . . . . 51 PRO HB2 . 25606 1 341 . 1 1 51 51 PRO HB3 H 1 1.93 0.01 . 2 . . . . 51 PRO HB3 . 25606 1 342 . 1 1 51 51 PRO C C 13 177.82 0.05 . 1 . . . . 51 PRO C . 25606 1 343 . 1 1 51 51 PRO CA C 13 63.39 0.05 . 1 . . . . 51 PRO CA . 25606 1 344 . 1 1 51 51 PRO CB C 13 31.97 0.05 . 1 . . . . 51 PRO CB . 25606 1 345 . 1 1 51 51 PRO N N 15 135.96 0.03 . 1 . . . . 51 PRO N . 25606 1 346 . 1 1 52 52 GLY H H 1 8.65 0.01 . 1 . . . . 52 GLY H . 25606 1 347 . 1 1 52 52 GLY HA2 H 1 3.93 0.01 . 1 . . . . 52 GLY HA2 . 25606 1 348 . 1 1 52 52 GLY HA3 H 1 3.93 0.01 . 1 . . . . 52 GLY HA3 . 25606 1 349 . 1 1 52 52 GLY C C 13 174.36 0.05 . 1 . . . . 52 GLY C . 25606 1 350 . 1 1 52 52 GLY CA C 13 46.24 0.05 . 1 . . . . 52 GLY CA . 25606 1 351 . 1 1 52 52 GLY N N 15 109.60 0.03 . 1 . . . . 52 GLY N . 25606 1 352 . 1 1 53 53 ALA H H 1 8.24 0.01 . 1 . . . . 53 ALA H . 25606 1 353 . 1 1 53 53 ALA HA H 1 4.26 0.01 . 1 . . . . 53 ALA HA . 25606 1 354 . 1 1 53 53 ALA HB1 H 1 1.41 0.01 . 1 . . . . 53 ALA HB1 . 25606 1 355 . 1 1 53 53 ALA HB2 H 1 1.41 0.01 . 1 . . . . 53 ALA HB2 . 25606 1 356 . 1 1 53 53 ALA HB3 H 1 1.41 0.01 . 1 . . . . 53 ALA HB3 . 25606 1 357 . 1 1 53 53 ALA C C 13 178.47 0.05 . 1 . . . . 53 ALA C . 25606 1 358 . 1 1 53 53 ALA CA C 13 53.13 0.05 . 1 . . . . 53 ALA CA . 25606 1 359 . 1 1 53 53 ALA CB C 13 19.23 0.05 . 1 . . . . 53 ALA CB . 25606 1 360 . 1 1 53 53 ALA N N 15 123.76 0.03 . 1 . . . . 53 ALA N . 25606 1 361 . 1 1 54 54 SER H H 1 8.42 0.01 . 1 . . . . 54 SER H . 25606 1 362 . 1 1 54 54 SER HA H 1 4.35 0.01 . 1 . . . . 54 SER HA . 25606 1 363 . 1 1 54 54 SER HB2 H 1 3.91 0.01 . 2 . . . . 54 SER HB2 . 25606 1 364 . 1 1 54 54 SER HB3 H 1 3.91 0.01 . 2 . . . . 54 SER HB3 . 25606 1 365 . 1 1 54 54 SER C C 13 175.28 0.05 . 1 . . . . 54 SER C . 25606 1 366 . 1 1 54 54 SER CA C 13 58.92 0.05 . 1 . . . . 54 SER CA . 25606 1 367 . 1 1 54 54 SER CB C 13 63.32 0.05 . 1 . . . . 54 SER CB . 25606 1 368 . 1 1 54 54 SER N N 15 114.84 0.03 . 1 . . . . 54 SER N . 25606 1 369 . 1 1 55 55 LEU H H 1 8.30 0.01 . 1 . . . . 55 LEU H . 25606 1 370 . 1 1 55 55 LEU HA H 1 4.27 0.01 . 1 . . . . 55 LEU HA . 25606 1 371 . 1 1 55 55 LEU HB2 H 1 1.67 0.01 . 2 . . . . 55 LEU HB2 . 25606 1 372 . 1 1 55 55 LEU HB3 H 1 1.60 0.01 . 2 . . . . 55 LEU HB3 . 25606 1 373 . 1 1 55 55 LEU C C 13 178.02 0.05 . 1 . . . . 55 LEU C . 25606 1 374 . 1 1 55 55 LEU CA C 13 56.11 0.05 . 1 . . . . 55 LEU CA . 25606 1 375 . 1 1 55 55 LEU CB C 13 41.90 0.05 . 1 . . . . 55 LEU CB . 25606 1 376 . 1 1 55 55 LEU N N 15 124.43 0.03 . 1 . . . . 55 LEU N . 25606 1 377 . 1 1 56 56 LEU H H 1 8.07 0.01 . 1 . . . . 56 LEU H . 25606 1 378 . 1 1 56 56 LEU HA H 1 4.25 0.01 . 1 . . . . 56 LEU HA . 25606 1 379 . 1 1 56 56 LEU HB2 H 1 1.63 0.01 . 2 . . . . 56 LEU HB2 . 25606 1 380 . 1 1 56 56 LEU HB3 H 1 1.57 0.01 . 2 . . . . 56 LEU HB3 . 25606 1 381 . 1 1 56 56 LEU C C 13 177.93 0.05 . 1 . . . . 56 LEU C . 25606 1 382 . 1 1 56 56 LEU CA C 13 56.03 0.05 . 1 . . . . 56 LEU CA . 25606 1 383 . 1 1 56 56 LEU CB C 13 41.91 0.05 . 1 . . . . 56 LEU CB . 25606 1 384 . 1 1 56 56 LEU N N 15 121.27 0.03 . 1 . . . . 56 LEU N . 25606 1 385 . 1 1 57 57 LEU H H 1 8.01 0.01 . 1 . . . . 57 LEU H . 25606 1 386 . 1 1 57 57 LEU HA H 1 4.27 0.01 . 1 . . . . 57 LEU HA . 25606 1 387 . 1 1 57 57 LEU HB2 H 1 1.62 0.01 . 2 . . . . 57 LEU HB2 . 25606 1 388 . 1 1 57 57 LEU HB3 H 1 1.62 0.01 . 2 . . . . 57 LEU HB3 . 25606 1 389 . 1 1 57 57 LEU C C 13 178.05 0.05 . 1 . . . . 57 LEU C . 25606 1 390 . 1 1 57 57 LEU CA C 13 55.91 0.05 . 1 . . . . 57 LEU CA . 25606 1 391 . 1 1 57 57 LEU CB C 13 41.87 0.05 . 1 . . . . 57 LEU CB . 25606 1 392 . 1 1 57 57 LEU N N 15 121.57 0.03 . 1 . . . . 57 LEU N . 25606 1 393 . 1 1 58 58 LEU H H 1 8.09 0.01 . 1 . . . . 58 LEU H . 25606 1 394 . 1 1 58 58 LEU HA H 1 4.26 0.01 . 1 . . . . 58 LEU HA . 25606 1 395 . 1 1 58 58 LEU HB2 H 1 1.70 0.01 . 2 . . . . 58 LEU HB2 . 25606 1 396 . 1 1 58 58 LEU HB3 H 1 1.60 0.01 . 2 . . . . 58 LEU HB3 . 25606 1 397 . 1 1 58 58 LEU C C 13 178.17 0.05 . 1 . . . . 58 LEU C . 25606 1 398 . 1 1 58 58 LEU CA C 13 55.94 0.05 . 1 . . . . 58 LEU CA . 25606 1 399 . 1 1 58 58 LEU CB C 13 41.98 0.05 . 1 . . . . 58 LEU CB . 25606 1 400 . 1 1 58 58 LEU N N 15 121.62 0.03 . 1 . . . . 58 LEU N . 25606 1 401 . 1 1 59 59 GLN H H 1 8.32 0.01 . 1 . . . . 59 GLN H . 25606 1 402 . 1 1 59 59 GLN HA H 1 4.23 0.01 . 1 . . . . 59 GLN HA . 25606 1 403 . 1 1 59 59 GLN HB2 H 1 2.07 0.01 . 2 . . . . 59 GLN HB2 . 25606 1 404 . 1 1 59 59 GLN HB3 H 1 2.07 0.01 . 2 . . . . 59 GLN HB3 . 25606 1 405 . 1 1 59 59 GLN C C 13 176.77 0.05 . 1 . . . . 59 GLN C . 25606 1 406 . 1 1 59 59 GLN CA C 13 56.61 0.05 . 1 . . . . 59 GLN CA . 25606 1 407 . 1 1 59 59 GLN CB C 13 29.01 0.05 . 1 . . . . 59 GLN CB . 25606 1 408 . 1 1 59 59 GLN N N 15 120.12 0.03 . 1 . . . . 59 GLN N . 25606 1 409 . 1 1 60 60 GLN H H 1 8.40 0.01 . 1 . . . . 60 GLN H . 25606 1 410 . 1 1 60 60 GLN HA H 1 4.25 0.01 . 1 . . . . 60 GLN HA . 25606 1 411 . 1 1 60 60 GLN HB2 H 1 2.09 0.01 . 2 . . . . 60 GLN HB2 . 25606 1 412 . 1 1 60 60 GLN HB3 H 1 2.09 0.01 . 2 . . . . 60 GLN HB3 . 25606 1 413 . 1 1 60 60 GLN C C 13 176.68 0.05 . 1 . . . . 60 GLN C . 25606 1 414 . 1 1 60 60 GLN CA C 13 56.53 0.05 . 1 . . . . 60 GLN CA . 25606 1 415 . 1 1 60 60 GLN CB C 13 29.22 0.05 . 1 . . . . 60 GLN CB . 25606 1 416 . 1 1 60 60 GLN N N 15 120.77 0.03 . 1 . . . . 60 GLN N . 25606 1 417 . 1 1 61 61 GLN H H 1 8.46 0.01 . 1 . . . . 61 GLN H . 25606 1 418 . 1 1 61 61 GLN HA H 1 4.27 0.01 . 1 . . . . 61 GLN HA . 25606 1 419 . 1 1 61 61 GLN HB2 H 1 2.08 0.01 . 2 . . . . 61 GLN HB2 . 25606 1 420 . 1 1 61 61 GLN HB3 H 1 2.08 0.01 . 2 . . . . 61 GLN HB3 . 25606 1 421 . 1 1 61 61 GLN C C 13 176.36 0.05 . 1 . . . . 61 GLN C . 25606 1 422 . 1 1 61 61 GLN CA C 13 56.34 0.05 . 1 . . . . 61 GLN CA . 25606 1 423 . 1 1 61 61 GLN CB C 13 29.16 0.05 . 1 . . . . 61 GLN CB . 25606 1 424 . 1 1 61 61 GLN N N 15 121.06 0.03 . 1 . . . . 61 GLN N . 25606 1 425 . 1 1 62 62 GLN H H 1 8.45 0.01 . 1 . . . . 62 GLN H . 25606 1 426 . 1 1 62 62 GLN HA H 1 4.30 0.01 . 1 . . . . 62 GLN HA . 25606 1 427 . 1 1 62 62 GLN HB2 H 1 2.12 0.01 . 2 . . . . 62 GLN HB2 . 25606 1 428 . 1 1 62 62 GLN HB3 H 1 2.02 0.01 . 2 . . . . 62 GLN HB3 . 25606 1 429 . 1 1 62 62 GLN C C 13 176.27 0.05 . 1 . . . . 62 GLN C . 25606 1 430 . 1 1 62 62 GLN CA C 13 56.06 0.05 . 1 . . . . 62 GLN CA . 25606 1 431 . 1 1 62 62 GLN CB C 13 29.41 0.05 . 1 . . . . 62 GLN CB . 25606 1 432 . 1 1 62 62 GLN N N 15 121.12 0.03 . 1 . . . . 62 GLN N . 25606 1 433 . 1 1 63 63 GLU H H 1 8.56 0.01 . 1 . . . . 63 GLU H . 25606 1 434 . 1 1 63 63 GLU HA H 1 4.34 0.01 . 1 . . . . 63 GLU HA . 25606 1 435 . 1 1 63 63 GLU HB2 H 1 2.07 0.01 . 2 . . . . 63 GLU HB2 . 25606 1 436 . 1 1 63 63 GLU HB3 H 1 1.99 0.01 . 2 . . . . 63 GLU HB3 . 25606 1 437 . 1 1 63 63 GLU C C 13 176.81 0.05 . 1 . . . . 63 GLU C . 25606 1 438 . 1 1 63 63 GLU CA C 13 56.80 0.05 . 1 . . . . 63 GLU CA . 25606 1 439 . 1 1 63 63 GLU CB C 13 30.30 0.05 . 1 . . . . 63 GLU CB . 25606 1 440 . 1 1 63 63 GLU N N 15 122.23 0.03 . 1 . . . . 63 GLU N . 25606 1 441 . 1 1 64 64 THR H H 1 8.35 0.01 . 1 . . . . 64 THR H . 25606 1 442 . 1 1 64 64 THR HA H 1 4.35 0.01 . 1 . . . . 64 THR HA . 25606 1 443 . 1 1 64 64 THR HB H 1 4.22 0.01 . 1 . . . . 64 THR HB . 25606 1 444 . 1 1 64 64 THR C C 13 174.51 0.05 . 1 . . . . 64 THR C . 25606 1 445 . 1 1 64 64 THR CA C 13 61.90 0.05 . 1 . . . . 64 THR CA . 25606 1 446 . 1 1 64 64 THR CB C 13 69.76 0.05 . 1 . . . . 64 THR CB . 25606 1 447 . 1 1 64 64 THR N N 15 115.18 0.03 . 1 . . . . 64 THR N . 25606 1 448 . 1 1 65 65 SER H H 1 8.43 0.01 . 1 . . . . 65 SER H . 25606 1 449 . 1 1 65 65 SER HA H 1 4.77 0.01 . 1 . . . . 65 SER HA . 25606 1 450 . 1 1 65 65 SER HB2 H 1 3.88 0.01 . 2 . . . . 65 SER HB2 . 25606 1 451 . 1 1 65 65 SER HB3 H 1 3.88 0.01 . 2 . . . . 65 SER HB3 . 25606 1 452 . 1 1 65 65 SER C C 13 172.66 0.05 . 1 . . . . 65 SER C . 25606 1 453 . 1 1 65 65 SER CA C 13 56.58 0.05 . 1 . . . . 65 SER CA . 25606 1 454 . 1 1 65 65 SER CB C 13 63.17 0.05 . 1 . . . . 65 SER CB . 25606 1 455 . 1 1 65 65 SER N N 15 119.80 0.03 . 1 . . . . 65 SER N . 25606 1 456 . 1 1 66 66 PRO HA H 1 4.42 0.01 . 1 . . . . 66 PRO HA . 25606 1 457 . 1 1 66 66 PRO HB2 H 1 2.30 0.01 . 2 . . . . 66 PRO HB2 . 25606 1 458 . 1 1 66 66 PRO HB3 H 1 1.90 0.01 . 2 . . . . 66 PRO HB3 . 25606 1 459 . 1 1 66 66 PRO C C 13 177.20 0.05 . 1 . . . . 66 PRO C . 25606 1 460 . 1 1 66 66 PRO CA C 13 63.43 0.05 . 1 . . . . 66 PRO CA . 25606 1 461 . 1 1 66 66 PRO CB C 13 32.11 0.05 . 1 . . . . 66 PRO CB . 25606 1 462 . 1 1 66 66 PRO N N 15 137.96 0.03 . 1 . . . . 66 PRO N . 25606 1 463 . 1 1 67 67 ARG H H 1 8.55 0.01 . 1 . . . . 67 ARG H . 25606 1 464 . 1 1 67 67 ARG HA H 1 4.27 0.01 . 1 . . . . 67 ARG HA . 25606 1 465 . 1 1 67 67 ARG HB2 H 1 1.79 0.01 . 2 . . . . 67 ARG HB2 . 25606 1 466 . 1 1 67 67 ARG HB3 H 1 1.79 0.01 . 2 . . . . 67 ARG HB3 . 25606 1 467 . 1 1 67 67 ARG C C 13 176.70 0.05 . 1 . . . . 67 ARG C . 25606 1 468 . 1 1 67 67 ARG CA C 13 56.67 0.05 . 1 . . . . 67 ARG CA . 25606 1 469 . 1 1 67 67 ARG CB C 13 30.66 0.05 . 1 . . . . 67 ARG CB . 25606 1 470 . 1 1 67 67 ARG N N 15 121.45 0.03 . 1 . . . . 67 ARG N . 25606 1 471 . 1 1 68 68 GLN H H 1 8.55 0.01 . 1 . . . . 68 GLN H . 25606 1 472 . 1 1 68 68 GLN HA H 1 4.28 0.01 . 1 . . . . 68 GLN HA . 25606 1 473 . 1 1 68 68 GLN HB2 H 1 2.10 0.01 . 2 . . . . 68 GLN HB2 . 25606 1 474 . 1 1 68 68 GLN HB3 H 1 1.99 0.01 . 2 . . . . 68 GLN HB3 . 25606 1 475 . 1 1 68 68 GLN C C 13 176.23 0.05 . 1 . . . . 68 GLN C . 25606 1 476 . 1 1 68 68 GLN CA C 13 56.07 0.05 . 1 . . . . 68 GLN CA . 25606 1 477 . 1 1 68 68 GLN CB C 13 29.37 0.05 . 1 . . . . 68 GLN CB . 25606 1 478 . 1 1 68 68 GLN N N 15 121.78 0.03 . 1 . . . . 68 GLN N . 25606 1 479 . 1 1 69 69 GLN H H 1 8.61 0.01 . 1 . . . . 69 GLN H . 25606 1 480 . 1 1 69 69 GLN HA H 1 4.28 0.01 . 1 . . . . 69 GLN HA . 25606 1 481 . 1 1 69 69 GLN HB2 H 1 2.12 0.01 . 2 . . . . 69 GLN HB2 . 25606 1 482 . 1 1 69 69 GLN HB3 H 1 1.99 0.01 . 2 . . . . 69 GLN HB3 . 25606 1 483 . 1 1 69 69 GLN C C 13 176.16 0.05 . 1 . . . . 69 GLN C . 25606 1 484 . 1 1 69 69 GLN CA C 13 56.11 0.05 . 1 . . . . 69 GLN CA . 25606 1 485 . 1 1 69 69 GLN CB C 13 29.42 0.05 . 1 . . . . 69 GLN CB . 25606 1 486 . 1 1 69 69 GLN N N 15 122.02 0.03 . 1 . . . . 69 GLN N . 25606 1 487 . 1 1 70 70 GLN H H 1 8.59 0.01 . 1 . . . . 70 GLN H . 25606 1 488 . 1 1 70 70 GLN HA H 1 4.29 0.01 . 1 . . . . 70 GLN HA . 25606 1 489 . 1 1 70 70 GLN HB2 H 1 2.10 0.01 . 2 . . . . 70 GLN HB2 . 25606 1 490 . 1 1 70 70 GLN HB3 H 1 2.00 0.01 . 2 . . . . 70 GLN HB3 . 25606 1 491 . 1 1 70 70 GLN C C 13 176.13 0.05 . 1 . . . . 70 GLN C . 25606 1 492 . 1 1 70 70 GLN CA C 13 56.05 0.05 . 1 . . . . 70 GLN CA . 25606 1 493 . 1 1 70 70 GLN CB C 13 29.41 0.05 . 1 . . . . 70 GLN CB . 25606 1 494 . 1 1 70 70 GLN N N 15 121.86 0.03 . 1 . . . . 70 GLN N . 25606 1 495 . 1 1 71 71 GLN H H 1 8.60 0.01 . 1 . . . . 71 GLN H . 25606 1 496 . 1 1 71 71 GLN HA H 1 4.30 0.01 . 1 . . . . 71 GLN HA . 25606 1 497 . 1 1 71 71 GLN HB2 H 1 2.10 0.01 . 2 . . . . 71 GLN HB2 . 25606 1 498 . 1 1 71 71 GLN HB3 H 1 1.99 0.01 . 2 . . . . 71 GLN HB3 . 25606 1 499 . 1 1 71 71 GLN C C 13 176.09 0.05 . 1 . . . . 71 GLN C . 25606 1 500 . 1 1 71 71 GLN CA C 13 56.02 0.05 . 1 . . . . 71 GLN CA . 25606 1 501 . 1 1 71 71 GLN CB C 13 29.41 0.05 . 1 . . . . 71 GLN CB . 25606 1 502 . 1 1 71 71 GLN N N 15 122.07 0.03 . 1 . . . . 71 GLN N . 25606 1 503 . 1 1 72 72 GLN H H 1 8.66 0.01 . 1 . . . . 72 GLN H . 25606 1 504 . 1 1 72 72 GLN HA H 1 4.31 0.01 . 1 . . . . 72 GLN HA . 25606 1 505 . 1 1 72 72 GLN HB2 H 1 2.10 0.01 . 2 . . . . 72 GLN HB2 . 25606 1 506 . 1 1 72 72 GLN HB3 H 1 1.99 0.01 . 2 . . . . 72 GLN HB3 . 25606 1 507 . 1 1 72 72 GLN C C 13 175.96 0.05 . 1 . . . . 72 GLN C . 25606 1 508 . 1 1 72 72 GLN CA C 13 55.92 0.05 . 1 . . . . 72 GLN CA . 25606 1 509 . 1 1 72 72 GLN CB C 13 29.44 0.05 . 1 . . . . 72 GLN CB . 25606 1 510 . 1 1 72 72 GLN N N 15 122.26 0.03 . 1 . . . . 72 GLN N . 25606 1 511 . 1 1 73 73 GLN H H 1 8.68 0.01 . 1 . . . . 73 GLN H . 25606 1 512 . 1 1 73 73 GLN HA H 1 4.34 0.01 . 1 . . . . 73 GLN HA . 25606 1 513 . 1 1 73 73 GLN HB2 H 1 2.11 0.01 . 2 . . . . 73 GLN HB2 . 25606 1 514 . 1 1 73 73 GLN HB3 H 1 2.00 0.01 . 2 . . . . 73 GLN HB3 . 25606 1 515 . 1 1 73 73 GLN C C 13 176.50 0.05 . 1 . . . . 73 GLN C . 25606 1 516 . 1 1 73 73 GLN CA C 13 56.01 0.05 . 1 . . . . 73 GLN CA . 25606 1 517 . 1 1 73 73 GLN CB C 13 29.61 0.05 . 1 . . . . 73 GLN CB . 25606 1 518 . 1 1 73 73 GLN N N 15 122.27 0.03 . 1 . . . . 73 GLN N . 25606 1 519 . 1 1 74 74 GLY H H 1 8.62 0.01 . 1 . . . . 74 GLY H . 25606 1 520 . 1 1 74 74 GLY HA2 H 1 3.98 0.01 . 1 . . . . 74 GLY HA2 . 25606 1 521 . 1 1 74 74 GLY HA3 H 1 3.98 0.01 . 1 . . . . 74 GLY HA3 . 25606 1 522 . 1 1 74 74 GLY C C 13 174.29 0.05 . 1 . . . . 74 GLY C . 25606 1 523 . 1 1 74 74 GLY CA C 13 45.08 0.05 . 1 . . . . 74 GLY CA . 25606 1 524 . 1 1 74 74 GLY N N 15 110.62 0.03 . 1 . . . . 74 GLY N . 25606 1 525 . 1 1 75 75 GLU H H 1 8.52 0.01 . 1 . . . . 75 GLU H . 25606 1 526 . 1 1 75 75 GLU HA H 1 4.30 0.01 . 1 . . . . 75 GLU HA . 25606 1 527 . 1 1 75 75 GLU HB2 H 1 2.07 0.01 . 2 . . . . 75 GLU HB2 . 25606 1 528 . 1 1 75 75 GLU HB3 H 1 1.93 0.01 . 2 . . . . 75 GLU HB3 . 25606 1 529 . 1 1 75 75 GLU C C 13 176.62 0.05 . 1 . . . . 75 GLU C . 25606 1 530 . 1 1 75 75 GLU CA C 13 56.61 0.05 . 1 . . . . 75 GLU CA . 25606 1 531 . 1 1 75 75 GLU CB C 13 30.29 0.05 . 1 . . . . 75 GLU CB . 25606 1 532 . 1 1 75 75 GLU N N 15 120.85 0.03 . 1 . . . . 75 GLU N . 25606 1 533 . 1 1 76 76 ASP H H 1 8.59 0.01 . 1 . . . . 76 ASP H . 25606 1 534 . 1 1 76 76 ASP HA H 1 4.56 0.01 . 1 . . . . 76 ASP HA . 25606 1 535 . 1 1 76 76 ASP HB2 H 1 2.71 0.01 . 2 . . . . 76 ASP HB2 . 25606 1 536 . 1 1 76 76 ASP HB3 H 1 2.71 0.01 . 2 . . . . 76 ASP HB3 . 25606 1 537 . 1 1 76 76 ASP C C 13 176.92 0.05 . 1 . . . . 76 ASP C . 25606 1 538 . 1 1 76 76 ASP CA C 13 54.43 0.05 . 1 . . . . 76 ASP CA . 25606 1 539 . 1 1 76 76 ASP CB C 13 40.95 0.05 . 1 . . . . 76 ASP CB . 25606 1 540 . 1 1 76 76 ASP N N 15 121.32 0.03 . 1 . . . . 76 ASP N . 25606 1 541 . 1 1 77 77 GLY H H 1 8.50 0.01 . 1 . . . . 77 GLY H . 25606 1 542 . 1 1 77 77 GLY HA2 H 1 3.96 0.01 . 1 . . . . 77 GLY HA2 . 25606 1 543 . 1 1 77 77 GLY HA3 H 1 3.96 0.01 . 1 . . . . 77 GLY HA3 . 25606 1 544 . 1 1 77 77 GLY C C 13 174.23 0.05 . 1 . . . . 77 GLY C . 25606 1 545 . 1 1 77 77 GLY CA C 13 45.19 0.05 . 1 . . . . 77 GLY CA . 25606 1 546 . 1 1 77 77 GLY N N 15 109.93 0.03 . 1 . . . . 77 GLY N . 25606 1 547 . 1 1 78 78 SER H H 1 8.29 0.01 . 1 . . . . 78 SER H . 25606 1 548 . 1 1 78 78 SER HA H 1 4.70 0.01 . 1 . . . . 78 SER HA . 25606 1 549 . 1 1 78 78 SER HB2 H 1 3.89 0.01 . 2 . . . . 78 SER HB2 . 25606 1 550 . 1 1 78 78 SER HB3 H 1 3.89 0.01 . 2 . . . . 78 SER HB3 . 25606 1 551 . 1 1 78 78 SER C C 13 173.01 0.05 . 1 . . . . 78 SER C . 25606 1 552 . 1 1 78 78 SER CA C 13 56.88 0.05 . 1 . . . . 78 SER CA . 25606 1 553 . 1 1 78 78 SER CB C 13 63.06 0.05 . 1 . . . . 78 SER CB . 25606 1 554 . 1 1 78 78 SER N N 15 117.40 0.03 . 1 . . . . 78 SER N . 25606 1 555 . 1 1 79 79 PRO HA H 1 4.42 0.01 . 1 . . . . 79 PRO HA . 25606 1 556 . 1 1 79 79 PRO HB2 H 1 2.30 0.01 . 2 . . . . 79 PRO HB2 . 25606 1 557 . 1 1 79 79 PRO HB3 H 1 1.89 0.01 . 2 . . . . 79 PRO HB3 . 25606 1 558 . 1 1 79 79 PRO C C 13 177.33 0.05 . 1 . . . . 79 PRO C . 25606 1 559 . 1 1 79 79 PRO CA C 13 63.65 0.05 . 1 . . . . 79 PRO CA . 25606 1 560 . 1 1 79 79 PRO CB C 13 31.95 0.05 . 1 . . . . 79 PRO CB . 25606 1 561 . 1 1 79 79 PRO N N 15 138.00 0.03 . 1 . . . . 79 PRO N . 25606 1 562 . 1 1 80 80 GLN H H 1 8.54 0.01 . 1 . . . . 80 GLN H . 25606 1 563 . 1 1 80 80 GLN HA H 1 4.24 0.01 . 1 . . . . 80 GLN HA . 25606 1 564 . 1 1 80 80 GLN HB2 H 1 2.06 0.01 . 2 . . . . 80 GLN HB2 . 25606 1 565 . 1 1 80 80 GLN HB3 H 1 1.91 0.01 . 2 . . . . 80 GLN HB3 . 25606 1 566 . 1 1 80 80 GLN C C 13 176.07 0.05 . 1 . . . . 80 GLN C . 25606 1 567 . 1 1 80 80 GLN CA C 13 55.89 0.05 . 1 . . . . 80 GLN CA . 25606 1 568 . 1 1 80 80 GLN CB C 13 29.31 0.05 . 1 . . . . 80 GLN CB . 25606 1 569 . 1 1 80 80 GLN N N 15 120.12 0.03 . 1 . . . . 80 GLN N . 25606 1 570 . 1 1 81 81 ALA H H 1 8.34 0.01 . 1 . . . . 81 ALA H . 25606 1 571 . 1 1 81 81 ALA HA H 1 4.20 0.01 . 1 . . . . 81 ALA HA . 25606 1 572 . 1 1 81 81 ALA HB1 H 1 1.33 0.01 . 1 . . . . 81 ALA HB1 . 25606 1 573 . 1 1 81 81 ALA HB2 H 1 1.33 0.01 . 1 . . . . 81 ALA HB2 . 25606 1 574 . 1 1 81 81 ALA HB3 H 1 1.33 0.01 . 1 . . . . 81 ALA HB3 . 25606 1 575 . 1 1 81 81 ALA C C 13 177.65 0.05 . 1 . . . . 81 ALA C . 25606 1 576 . 1 1 81 81 ALA CA C 13 52.87 0.05 . 1 . . . . 81 ALA CA . 25606 1 577 . 1 1 81 81 ALA CB C 13 19.12 0.05 . 1 . . . . 81 ALA CB . 25606 1 578 . 1 1 81 81 ALA N N 15 124.79 0.03 . 1 . . . . 81 ALA N . 25606 1 579 . 1 1 82 82 HIS H H 1 8.30 0.01 . 1 . . . . 82 HIS H . 25606 1 580 . 1 1 82 82 HIS HA H 1 4.60 0.01 . 1 . . . . 82 HIS HA . 25606 1 581 . 1 1 82 82 HIS HB2 H 1 3.07 0.01 . 2 . . . . 82 HIS HB2 . 25606 1 582 . 1 1 82 82 HIS HB3 H 1 3.07 0.01 . 2 . . . . 82 HIS HB3 . 25606 1 583 . 1 1 82 82 HIS C C 13 175.38 0.05 . 1 . . . . 82 HIS C . 25606 1 584 . 1 1 82 82 HIS CA C 13 56.12 0.05 . 1 . . . . 82 HIS CA . 25606 1 585 . 1 1 82 82 HIS CB C 13 30.77 0.05 . 1 . . . . 82 HIS CB . 25606 1 586 . 1 1 82 82 HIS N N 15 118.22 0.03 . 1 . . . . 82 HIS N . 25606 1 587 . 1 1 83 83 ARG H H 1 8.38 0.01 . 1 . . . . 83 ARG H . 25606 1 588 . 1 1 83 83 ARG HA H 1 4.32 0.01 . 1 . . . . 83 ARG HA . 25606 1 589 . 1 1 83 83 ARG HB2 H 1 1.82 0.01 . 2 . . . . 83 ARG HB2 . 25606 1 590 . 1 1 83 83 ARG HB3 H 1 1.73 0.01 . 2 . . . . 83 ARG HB3 . 25606 1 591 . 1 1 83 83 ARG C C 13 175.98 0.05 . 1 . . . . 83 ARG C . 25606 1 592 . 1 1 83 83 ARG CA C 13 56.01 0.05 . 1 . . . . 83 ARG CA . 25606 1 593 . 1 1 83 83 ARG CB C 13 30.79 0.05 . 1 . . . . 83 ARG CB . 25606 1 594 . 1 1 83 83 ARG N N 15 122.47 0.03 . 1 . . . . 83 ARG N . 25606 1 595 . 1 1 84 84 ARG H H 1 8.62 0.01 . 1 . . . . 84 ARG H . 25606 1 596 . 1 1 84 84 ARG HA H 1 4.40 0.01 . 1 . . . . 84 ARG HA . 25606 1 597 . 1 1 84 84 ARG HB2 H 1 1.81 0.01 . 2 . . . . 84 ARG HB2 . 25606 1 598 . 1 1 84 84 ARG HB3 H 1 1.73 0.01 . 2 . . . . 84 ARG HB3 . 25606 1 599 . 1 1 84 84 ARG C C 13 176.60 0.05 . 1 . . . . 84 ARG C . 25606 1 600 . 1 1 84 84 ARG CA C 13 55.79 0.05 . 1 . . . . 84 ARG CA . 25606 1 601 . 1 1 84 84 ARG CB C 13 31.39 0.05 . 1 . . . . 84 ARG CB . 25606 1 602 . 1 1 84 84 ARG N N 15 122.68 0.03 . 1 . . . . 84 ARG N . 25606 1 603 . 1 1 85 85 GLY H H 1 8.45 0.01 . 1 . . . . 85 GLY H . 25606 1 604 . 1 1 85 85 GLY HA2 H 1 4.21 0.01 . 1 . . . . 85 GLY HA2 . 25606 1 605 . 1 1 85 85 GLY HA3 H 1 3.77 0.01 . 1 . . . . 85 GLY HA3 . 25606 1 606 . 1 1 85 85 GLY C C 13 172.30 0.05 . 1 . . . . 85 GLY C . 25606 1 607 . 1 1 85 85 GLY CA C 13 44.50 0.05 . 1 . . . . 85 GLY CA . 25606 1 608 . 1 1 85 85 GLY N N 15 110.32 0.03 . 1 . . . . 85 GLY N . 25606 1 609 . 1 1 86 86 PRO HA H 1 4.47 0.01 . 1 . . . . 86 PRO HA . 25606 1 610 . 1 1 86 86 PRO HB2 H 1 2.31 0.01 . 2 . . . . 86 PRO HB2 . 25606 1 611 . 1 1 86 86 PRO HB3 H 1 1.97 0.01 . 2 . . . . 86 PRO HB3 . 25606 1 612 . 1 1 86 86 PRO C C 13 177.71 0.05 . 1 . . . . 86 PRO C . 25606 1 613 . 1 1 86 86 PRO CA C 13 63.66 0.05 . 1 . . . . 86 PRO CA . 25606 1 614 . 1 1 86 86 PRO CB C 13 32.26 0.05 . 1 . . . . 86 PRO CB . 25606 1 615 . 1 1 86 86 PRO N N 15 134.17 0.03 . 1 . . . . 86 PRO N . 25606 1 616 . 1 1 87 87 THR H H 1 8.34 0.01 . 1 . . . . 87 THR H . 25606 1 617 . 1 1 87 87 THR HA H 1 4.36 0.01 . 1 . . . . 87 THR HA . 25606 1 618 . 1 1 87 87 THR HB H 1 4.28 0.01 . 1 . . . . 87 THR HB . 25606 1 619 . 1 1 87 87 THR C C 13 175.13 0.05 . 1 . . . . 87 THR C . 25606 1 620 . 1 1 87 87 THR CA C 13 61.77 0.05 . 1 . . . . 87 THR CA . 25606 1 621 . 1 1 87 87 THR CB C 13 69.67 0.05 . 1 . . . . 87 THR CB . 25606 1 622 . 1 1 87 87 THR N N 15 112.08 0.03 . 1 . . . . 87 THR N . 25606 1 623 . 1 1 88 88 GLY H H 1 8.34 0.01 . 1 . . . . 88 GLY H . 25606 1 624 . 1 1 88 88 GLY HA2 H 1 3.99 0.01 . 1 . . . . 88 GLY HA2 . 25606 1 625 . 1 1 88 88 GLY HA3 H 1 3.56 0.01 . 1 . . . . 88 GLY HA3 . 25606 1 626 . 1 1 88 88 GLY C C 13 173.67 0.05 . 1 . . . . 88 GLY C . 25606 1 627 . 1 1 88 88 GLY CA C 13 45.25 0.05 . 1 . . . . 88 GLY CA . 25606 1 628 . 1 1 88 88 GLY N N 15 110.62 0.03 . 1 . . . . 88 GLY N . 25606 1 629 . 1 1 89 89 TYR H H 1 8.10 0.01 . 1 . . . . 89 TYR H . 25606 1 630 . 1 1 89 89 TYR HA H 1 4.58 0.01 . 1 . . . . 89 TYR HA . 25606 1 631 . 1 1 89 89 TYR HB2 H 1 3.01 0.01 . 2 . . . . 89 TYR HB2 . 25606 1 632 . 1 1 89 89 TYR HB3 H 1 2.89 0.01 . 2 . . . . 89 TYR HB3 . 25606 1 633 . 1 1 89 89 TYR C C 13 175.43 0.05 . 1 . . . . 89 TYR C . 25606 1 634 . 1 1 89 89 TYR CA C 13 57.65 0.05 . 1 . . . . 89 TYR CA . 25606 1 635 . 1 1 89 89 TYR CB C 13 38.87 0.05 . 1 . . . . 89 TYR CB . 25606 1 636 . 1 1 89 89 TYR N N 15 120.19 0.03 . 1 . . . . 89 TYR N . 25606 1 637 . 1 1 90 90 LEU H H 1 8.35 0.01 . 1 . . . . 90 LEU H . 25606 1 638 . 1 1 90 90 LEU HA H 1 4.34 0.01 . 1 . . . . 90 LEU HA . 25606 1 639 . 1 1 90 90 LEU HB2 H 1 1.56 0.01 . 2 . . . . 90 LEU HB2 . 25606 1 640 . 1 1 90 90 LEU HB3 H 1 1.46 0.01 . 2 . . . . 90 LEU HB3 . 25606 1 641 . 1 1 90 90 LEU C C 13 176.63 0.05 . 1 . . . . 90 LEU C . 25606 1 642 . 1 1 90 90 LEU CA C 13 55.04 0.05 . 1 . . . . 90 LEU CA . 25606 1 643 . 1 1 90 90 LEU CB C 13 42.53 0.05 . 1 . . . . 90 LEU CB . 25606 1 644 . 1 1 90 90 LEU N N 15 124.25 0.03 . 1 . . . . 90 LEU N . 25606 1 645 . 1 1 91 91 VAL H H 1 8.30 0.01 . 1 . . . . 91 VAL H . 25606 1 646 . 1 1 91 91 VAL HA H 1 4.04 0.01 . 1 . . . . 91 VAL HA . 25606 1 647 . 1 1 91 91 VAL HB H 1 2.00 0.01 . 1 . . . . 91 VAL HB . 25606 1 648 . 1 1 91 91 VAL C C 13 175.95 0.05 . 1 . . . . 91 VAL C . 25606 1 649 . 1 1 91 91 VAL CA C 13 62.30 0.05 . 1 . . . . 91 VAL CA . 25606 1 650 . 1 1 91 91 VAL CB C 13 32.68 0.05 . 1 . . . . 91 VAL CB . 25606 1 651 . 1 1 91 91 VAL N N 15 123.00 0.03 . 1 . . . . 91 VAL N . 25606 1 652 . 1 1 92 92 LEU H H 1 8.50 0.01 . 1 . . . . 92 LEU H . 25606 1 653 . 1 1 92 92 LEU HA H 1 4.38 0.01 . 1 . . . . 92 LEU HA . 25606 1 654 . 1 1 92 92 LEU HB2 H 1 1.62 0.01 . 2 . . . . 92 LEU HB2 . 25606 1 655 . 1 1 92 92 LEU HB3 H 1 1.54 0.01 . 2 . . . . 92 LEU HB3 . 25606 1 656 . 1 1 92 92 LEU C C 13 177.01 0.05 . 1 . . . . 92 LEU C . 25606 1 657 . 1 1 92 92 LEU CA C 13 54.82 0.05 . 1 . . . . 92 LEU CA . 25606 1 658 . 1 1 92 92 LEU CB C 13 42.50 0.05 . 1 . . . . 92 LEU CB . 25606 1 659 . 1 1 92 92 LEU N N 15 126.97 0.03 . 1 . . . . 92 LEU N . 25606 1 660 . 1 1 93 93 ASP H H 1 8.45 0.01 . 1 . . . . 93 ASP H . 25606 1 661 . 1 1 93 93 ASP HA H 1 4.56 0.01 . 1 . . . . 93 ASP HA . 25606 1 662 . 1 1 93 93 ASP HB2 H 1 2.70 0.01 . 2 . . . . 93 ASP HB2 . 25606 1 663 . 1 1 93 93 ASP HB3 H 1 2.59 0.01 . 2 . . . . 93 ASP HB3 . 25606 1 664 . 1 1 93 93 ASP C C 13 176.40 0.05 . 1 . . . . 93 ASP C . 25606 1 665 . 1 1 93 93 ASP CA C 13 54.46 0.05 . 1 . . . . 93 ASP CA . 25606 1 666 . 1 1 93 93 ASP CB C 13 41.09 0.05 . 1 . . . . 93 ASP CB . 25606 1 667 . 1 1 93 93 ASP N N 15 121.76 0.03 . 1 . . . . 93 ASP N . 25606 1 668 . 1 1 94 94 GLU H H 1 8.54 0.01 . 1 . . . . 94 GLU H . 25606 1 669 . 1 1 94 94 GLU HA H 1 4.26 0.01 . 1 . . . . 94 GLU HA . 25606 1 670 . 1 1 94 94 GLU HB2 H 1 2.06 0.01 . 2 . . . . 94 GLU HB2 . 25606 1 671 . 1 1 94 94 GLU HB3 H 1 1.92 0.01 . 2 . . . . 94 GLU HB3 . 25606 1 672 . 1 1 94 94 GLU C C 13 176.71 0.05 . 1 . . . . 94 GLU C . 25606 1 673 . 1 1 94 94 GLU CA C 13 56.43 0.05 . 1 . . . . 94 GLU CA . 25606 1 674 . 1 1 94 94 GLU CB C 13 30.43 0.05 . 1 . . . . 94 GLU CB . 25606 1 675 . 1 1 94 94 GLU N N 15 121.25 0.03 . 1 . . . . 94 GLU N . 25606 1 676 . 1 1 95 95 GLU H H 1 8.55 0.01 . 1 . . . . 95 GLU H . 25606 1 677 . 1 1 95 95 GLU HA H 1 4.23 0.01 . 1 . . . . 95 GLU HA . 25606 1 678 . 1 1 95 95 GLU HB2 H 1 2.06 0.01 . 2 . . . . 95 GLU HB2 . 25606 1 679 . 1 1 95 95 GLU HB3 H 1 1.95 0.01 . 2 . . . . 95 GLU HB3 . 25606 1 680 . 1 1 95 95 GLU C C 13 176.62 0.05 . 1 . . . . 95 GLU C . 25606 1 681 . 1 1 95 95 GLU CA C 13 56.69 0.05 . 1 . . . . 95 GLU CA . 25606 1 682 . 1 1 95 95 GLU CB C 13 30.27 0.05 . 1 . . . . 95 GLU CB . 25606 1 683 . 1 1 95 95 GLU N N 15 121.73 0.03 . 1 . . . . 95 GLU N . 25606 1 684 . 1 1 96 96 GLN H H 1 8.47 0.01 . 1 . . . . 96 GLN H . 25606 1 685 . 1 1 96 96 GLN HA H 1 4.29 0.01 . 1 . . . . 96 GLN HA . 25606 1 686 . 1 1 96 96 GLN HB2 H 1 2.10 0.01 . 2 . . . . 96 GLN HB2 . 25606 1 687 . 1 1 96 96 GLN HB3 H 1 1.97 0.01 . 2 . . . . 96 GLN HB3 . 25606 1 688 . 1 1 96 96 GLN C C 13 175.91 0.05 . 1 . . . . 96 GLN C . 25606 1 689 . 1 1 96 96 GLN CA C 13 55.73 0.05 . 1 . . . . 96 GLN CA . 25606 1 690 . 1 1 96 96 GLN CB C 13 29.43 0.05 . 1 . . . . 96 GLN CB . 25606 1 691 . 1 1 96 96 GLN N N 15 121.42 0.03 . 1 . . . . 96 GLN N . 25606 1 692 . 1 1 97 97 GLN H H 1 8.60 0.01 . 1 . . . . 97 GLN H . 25606 1 693 . 1 1 97 97 GLN HA H 1 4.58 0.01 . 1 . . . . 97 GLN HA . 25606 1 694 . 1 1 97 97 GLN HB2 H 1 2.11 0.01 . 2 . . . . 97 GLN HB2 . 25606 1 695 . 1 1 97 97 GLN HB3 H 1 1.91 0.01 . 2 . . . . 97 GLN HB3 . 25606 1 696 . 1 1 97 97 GLN C C 13 173.99 0.05 . 1 . . . . 97 GLN C . 25606 1 697 . 1 1 97 97 GLN CA C 13 53.63 0.05 . 1 . . . . 97 GLN CA . 25606 1 698 . 1 1 97 97 GLN CB C 13 28.69 0.05 . 1 . . . . 97 GLN CB . 25606 1 699 . 1 1 97 97 GLN N N 15 122.88 0.03 . 1 . . . . 97 GLN N . 25606 1 700 . 1 1 98 98 PRO HA H 1 4.46 0.01 . 1 . . . . 98 PRO HA . 25606 1 701 . 1 1 98 98 PRO HB2 H 1 2.32 0.01 . 2 . . . . 98 PRO HB2 . 25606 1 702 . 1 1 98 98 PRO HB3 H 1 1.91 0.01 . 2 . . . . 98 PRO HB3 . 25606 1 703 . 1 1 98 98 PRO C C 13 176.99 0.05 . 1 . . . . 98 PRO C . 25606 1 704 . 1 1 98 98 PRO CA C 13 63.07 0.05 . 1 . . . . 98 PRO CA . 25606 1 705 . 1 1 98 98 PRO CB C 13 32.25 0.05 . 1 . . . . 98 PRO CB . 25606 1 706 . 1 1 98 98 PRO N N 15 137.23 0.03 . 1 . . . . 98 PRO N . 25606 1 707 . 1 1 99 99 SER H H 1 8.63 0.01 . 1 . . . . 99 SER H . 25606 1 708 . 1 1 99 99 SER HA H 1 4.40 0.01 . 1 . . . . 99 SER HA . 25606 1 709 . 1 1 99 99 SER HB2 H 1 3.85 0.01 . 2 . . . . 99 SER HB2 . 25606 1 710 . 1 1 99 99 SER HB3 H 1 3.85 0.01 . 2 . . . . 99 SER HB3 . 25606 1 711 . 1 1 99 99 SER C C 13 174.31 0.05 . 1 . . . . 99 SER C . 25606 1 712 . 1 1 99 99 SER CA C 13 58.41 0.05 . 1 . . . . 99 SER CA . 25606 1 713 . 1 1 99 99 SER CB C 13 63.72 0.05 . 1 . . . . 99 SER CB . 25606 1 714 . 1 1 99 99 SER N N 15 117.00 0.03 . 1 . . . . 99 SER N . 25606 1 715 . 1 1 100 100 GLN H H 1 8.54 0.01 . 1 . . . . 100 GLN H . 25606 1 716 . 1 1 100 100 GLN HA H 1 4.65 0.01 . 1 . . . . 100 GLN HA . 25606 1 717 . 1 1 100 100 GLN HB2 H 1 2.09 0.01 . 2 . . . . 100 GLN HB2 . 25606 1 718 . 1 1 100 100 GLN HB3 H 1 1.91 0.01 . 2 . . . . 100 GLN HB3 . 25606 1 719 . 1 1 100 100 GLN C C 13 173.98 0.05 . 1 . . . . 100 GLN C . 25606 1 720 . 1 1 100 100 GLN CA C 13 53.58 0.05 . 1 . . . . 100 GLN CA . 25606 1 721 . 1 1 100 100 GLN CB C 13 29.00 0.05 . 1 . . . . 100 GLN CB . 25606 1 722 . 1 1 100 100 GLN N N 15 122.98 0.03 . 1 . . . . 100 GLN N . 25606 1 723 . 1 1 101 101 PRO HA H 1 4.42 0.01 . 1 . . . . 101 PRO HA . 25606 1 724 . 1 1 101 101 PRO HB2 H 1 2.30 0.01 . 2 . . . . 101 PRO HB2 . 25606 1 725 . 1 1 101 101 PRO HB3 H 1 1.90 0.01 . 2 . . . . 101 PRO HB3 . 25606 1 726 . 1 1 101 101 PRO C C 13 177.05 0.05 . 1 . . . . 101 PRO C . 25606 1 727 . 1 1 101 101 PRO CA C 13 63.13 0.05 . 1 . . . . 101 PRO CA . 25606 1 728 . 1 1 101 101 PRO CB C 13 32.11 0.05 . 1 . . . . 101 PRO CB . 25606 1 729 . 1 1 101 101 PRO N N 15 137.51 0.03 . 1 . . . . 101 PRO N . 25606 1 730 . 1 1 102 102 GLN H H 1 8.75 0.01 . 1 . . . . 102 GLN H . 25606 1 731 . 1 1 102 102 GLN HA H 1 4.30 0.01 . 1 . . . . 102 GLN HA . 25606 1 732 . 1 1 102 102 GLN HB2 H 1 2.11 0.01 . 2 . . . . 102 GLN HB2 . 25606 1 733 . 1 1 102 102 GLN HB3 H 1 2.01 0.01 . 2 . . . . 102 GLN HB3 . 25606 1 734 . 1 1 102 102 GLN C C 13 176.34 0.05 . 1 . . . . 102 GLN C . 25606 1 735 . 1 1 102 102 GLN CA C 13 56.00 0.05 . 1 . . . . 102 GLN CA . 25606 1 736 . 1 1 102 102 GLN CB C 13 29.54 0.05 . 1 . . . . 102 GLN CB . 25606 1 737 . 1 1 102 102 GLN N N 15 121.33 0.03 . 1 . . . . 102 GLN N . 25606 1 738 . 1 1 103 103 SER H H 1 8.52 0.01 . 1 . . . . 103 SER H . 25606 1 739 . 1 1 103 103 SER HA H 1 4.39 0.01 . 1 . . . . 103 SER HA . 25606 1 740 . 1 1 103 103 SER HB2 H 1 3.88 0.01 . 2 . . . . 103 SER HB2 . 25606 1 741 . 1 1 103 103 SER HB3 H 1 3.88 0.01 . 2 . . . . 103 SER HB3 . 25606 1 742 . 1 1 103 103 SER C C 13 174.51 0.05 . 1 . . . . 103 SER C . 25606 1 743 . 1 1 103 103 SER CA C 13 58.39 0.05 . 1 . . . . 103 SER CA . 25606 1 744 . 1 1 103 103 SER CB C 13 63.74 0.05 . 1 . . . . 103 SER CB . 25606 1 745 . 1 1 103 103 SER N N 15 117.54 0.03 . 1 . . . . 103 SER N . 25606 1 746 . 1 1 104 104 ALA H H 1 8.54 0.01 . 1 . . . . 104 ALA H . 25606 1 747 . 1 1 104 104 ALA HA H 1 4.32 0.01 . 1 . . . . 104 ALA HA . 25606 1 748 . 1 1 104 104 ALA HB1 H 1 1.40 0.01 . 1 . . . . 104 ALA HB1 . 25606 1 749 . 1 1 104 104 ALA HB2 H 1 1.40 0.01 . 1 . . . . 104 ALA HB2 . 25606 1 750 . 1 1 104 104 ALA HB3 H 1 1.40 0.01 . 1 . . . . 104 ALA HB3 . 25606 1 751 . 1 1 104 104 ALA C C 13 177.89 0.05 . 1 . . . . 104 ALA C . 25606 1 752 . 1 1 104 104 ALA CA C 13 52.79 0.05 . 1 . . . . 104 ALA CA . 25606 1 753 . 1 1 104 104 ALA CB C 13 19.09 0.05 . 1 . . . . 104 ALA CB . 25606 1 754 . 1 1 104 104 ALA N N 15 126.32 0.03 . 1 . . . . 104 ALA N . 25606 1 755 . 1 1 105 105 LEU H H 1 8.22 0.01 . 1 . . . . 105 LEU H . 25606 1 756 . 1 1 105 105 LEU HA H 1 4.28 0.01 . 1 . . . . 105 LEU HA . 25606 1 757 . 1 1 105 105 LEU HB2 H 1 1.61 0.01 . 2 . . . . 105 LEU HB2 . 25606 1 758 . 1 1 105 105 LEU HB3 H 1 1.61 0.01 . 2 . . . . 105 LEU HB3 . 25606 1 759 . 1 1 105 105 LEU C C 13 177.63 0.05 . 1 . . . . 105 LEU C . 25606 1 760 . 1 1 105 105 LEU CA C 13 55.30 0.05 . 1 . . . . 105 LEU CA . 25606 1 761 . 1 1 105 105 LEU CB C 13 42.28 0.05 . 1 . . . . 105 LEU CB . 25606 1 762 . 1 1 105 105 LEU N N 15 120.78 0.03 . 1 . . . . 105 LEU N . 25606 1 763 . 1 1 106 106 GLU H H 1 8.35 0.01 . 1 . . . . 106 GLU H . 25606 1 764 . 1 1 106 106 GLU HA H 1 4.24 0.01 . 1 . . . . 106 GLU HA . 25606 1 765 . 1 1 106 106 GLU HB2 H 1 1.96 0.01 . 2 . . . . 106 GLU HB2 . 25606 1 766 . 1 1 106 106 GLU HB3 H 1 1.96 0.01 . 2 . . . . 106 GLU HB3 . 25606 1 767 . 1 1 106 106 GLU C C 13 176.11 0.05 . 1 . . . . 106 GLU C . 25606 1 768 . 1 1 106 106 GLU CA C 13 56.43 0.05 . 1 . . . . 106 GLU CA . 25606 1 769 . 1 1 106 106 GLU CB C 13 30.35 0.05 . 1 . . . . 106 GLU CB . 25606 1 770 . 1 1 106 106 GLU N N 15 121.41 0.03 . 1 . . . . 106 GLU N . 25606 1 771 . 1 1 107 107 CYS H H 1 8.37 0.01 . 1 . . . . 107 CYS H . 25606 1 772 . 1 1 107 107 CYS HA H 1 4.42 0.01 . 1 . . . . 107 CYS HA . 25606 1 773 . 1 1 107 107 CYS HB2 H 1 2.81 0.01 . 2 . . . . 107 CYS HB2 . 25606 1 774 . 1 1 107 107 CYS HB3 H 1 2.81 0.01 . 2 . . . . 107 CYS HB3 . 25606 1 775 . 1 1 107 107 CYS C C 13 173.98 0.05 . 1 . . . . 107 CYS C . 25606 1 776 . 1 1 107 107 CYS CA C 13 58.45 0.05 . 1 . . . . 107 CYS CA . 25606 1 777 . 1 1 107 107 CYS CB C 13 28.12 0.05 . 1 . . . . 107 CYS CB . 25606 1 778 . 1 1 107 107 CYS N N 15 120.60 0.03 . 1 . . . . 107 CYS N . 25606 1 779 . 1 1 108 108 HIS H H 1 8.67 0.01 . 1 . . . . 108 HIS H . 25606 1 780 . 1 1 108 108 HIS HA H 1 4.95 0.01 . 1 . . . . 108 HIS HA . 25606 1 781 . 1 1 108 108 HIS HB2 H 1 3.11 0.01 . 2 . . . . 108 HIS HB2 . 25606 1 782 . 1 1 108 108 HIS HB3 H 1 3.04 0.01 . 2 . . . . 108 HIS HB3 . 25606 1 783 . 1 1 108 108 HIS C C 13 173.39 0.05 . 1 . . . . 108 HIS C . 25606 1 784 . 1 1 108 108 HIS CA C 13 54.18 0.05 . 1 . . . . 108 HIS CA . 25606 1 785 . 1 1 108 108 HIS CB C 13 29.91 0.05 . 1 . . . . 108 HIS CB . 25606 1 786 . 1 1 108 108 HIS N N 15 122.96 0.03 . 1 . . . . 108 HIS N . 25606 1 787 . 1 1 109 109 PRO HA H 1 4.42 0.01 . 1 . . . . 109 PRO HA . 25606 1 788 . 1 1 109 109 PRO HB2 H 1 2.29 0.01 . 2 . . . . 109 PRO HB2 . 25606 1 789 . 1 1 109 109 PRO HB3 H 1 1.91 0.01 . 2 . . . . 109 PRO HB3 . 25606 1 790 . 1 1 109 109 PRO C C 13 177.20 0.05 . 1 . . . . 109 PRO C . 25606 1 791 . 1 1 109 109 PRO CA C 13 63.52 0.05 . 1 . . . . 109 PRO CA . 25606 1 792 . 1 1 109 109 PRO CB C 13 32.11 0.05 . 1 . . . . 109 PRO CB . 25606 1 793 . 1 1 109 109 PRO N N 15 137.61 0.03 . 1 . . . . 109 PRO N . 25606 1 794 . 1 1 110 110 GLU H H 1 9.11 0.01 . 1 . . . . 110 GLU H . 25606 1 795 . 1 1 110 110 GLU HA H 1 4.29 0.01 . 1 . . . . 110 GLU HA . 25606 1 796 . 1 1 110 110 GLU HB2 H 1 2.09 0.01 . 2 . . . . 110 GLU HB2 . 25606 1 797 . 1 1 110 110 GLU HB3 H 1 1.99 0.01 . 2 . . . . 110 GLU HB3 . 25606 1 798 . 1 1 110 110 GLU C C 13 176.84 0.05 . 1 . . . . 110 GLU C . 25606 1 799 . 1 1 110 110 GLU CA C 13 56.78 0.05 . 1 . . . . 110 GLU CA . 25606 1 800 . 1 1 110 110 GLU CB C 13 29.63 0.05 . 1 . . . . 110 GLU CB . 25606 1 801 . 1 1 110 110 GLU N N 15 121.52 0.03 . 1 . . . . 110 GLU N . 25606 1 802 . 1 1 111 111 ARG H H 1 8.47 0.01 . 1 . . . . 111 ARG H . 25606 1 803 . 1 1 111 111 ARG HA H 1 4.33 0.01 . 1 . . . . 111 ARG HA . 25606 1 804 . 1 1 111 111 ARG HB2 H 1 1.91 0.01 . 2 . . . . 111 ARG HB2 . 25606 1 805 . 1 1 111 111 ARG HB3 H 1 1.82 0.01 . 2 . . . . 111 ARG HB3 . 25606 1 806 . 1 1 111 111 ARG C C 13 176.92 0.05 . 1 . . . . 111 ARG C . 25606 1 807 . 1 1 111 111 ARG CA C 13 56.44 0.05 . 1 . . . . 111 ARG CA . 25606 1 808 . 1 1 111 111 ARG CB C 13 30.75 0.05 . 1 . . . . 111 ARG CB . 25606 1 809 . 1 1 111 111 ARG N N 15 122.36 0.03 . 1 . . . . 111 ARG N . 25606 1 810 . 1 1 112 112 GLY H H 1 8.55 0.01 . 1 . . . . 112 GLY H . 25606 1 811 . 1 1 112 112 GLY HA2 H 1 3.97 0.01 . 1 . . . . 112 GLY HA2 . 25606 1 812 . 1 1 112 112 GLY HA3 H 1 3.97 0.01 . 1 . . . . 112 GLY HA3 . 25606 1 813 . 1 1 112 112 GLY C C 13 173.88 0.05 . 1 . . . . 112 GLY C . 25606 1 814 . 1 1 112 112 GLY CA C 13 45.15 0.05 . 1 . . . . 112 GLY CA . 25606 1 815 . 1 1 112 112 GLY N N 15 109.95 0.03 . 1 . . . . 112 GLY N . 25606 1 816 . 1 1 113 113 CYS H H 1 8.35 0.01 . 1 . . . . 113 CYS H . 25606 1 817 . 1 1 113 113 CYS HA H 1 4.54 0.01 . 1 . . . . 113 CYS HA . 25606 1 818 . 1 1 113 113 CYS HB2 H 1 2.89 0.01 . 2 . . . . 113 CYS HB2 . 25606 1 819 . 1 1 113 113 CYS HB3 H 1 2.89 0.01 . 2 . . . . 113 CYS HB3 . 25606 1 820 . 1 1 113 113 CYS C C 13 174.57 0.05 . 1 . . . . 113 CYS C . 25606 1 821 . 1 1 113 113 CYS CA C 13 58.29 0.05 . 1 . . . . 113 CYS CA . 25606 1 822 . 1 1 113 113 CYS CB C 13 28.23 0.05 . 1 . . . . 113 CYS CB . 25606 1 823 . 1 1 113 113 CYS N N 15 119.06 0.03 . 1 . . . . 113 CYS N . 25606 1 824 . 1 1 114 114 VAL H H 1 8.45 0.01 . 1 . . . . 114 VAL H . 25606 1 825 . 1 1 114 114 VAL HA H 1 4.43 0.01 . 1 . . . . 114 VAL HA . 25606 1 826 . 1 1 114 114 VAL HB H 1 2.09 0.01 . 1 . . . . 114 VAL HB . 25606 1 827 . 1 1 114 114 VAL C C 13 174.40 0.05 . 1 . . . . 114 VAL C . 25606 1 828 . 1 1 114 114 VAL CA C 13 59.98 0.05 . 1 . . . . 114 VAL CA . 25606 1 829 . 1 1 114 114 VAL CB C 13 32.56 0.05 . 1 . . . . 114 VAL CB . 25606 1 830 . 1 1 114 114 VAL N N 15 124.72 0.03 . 1 . . . . 114 VAL N . 25606 1 831 . 1 1 115 115 PRO HA H 1 4.39 0.01 . 1 . . . . 115 PRO HA . 25606 1 832 . 1 1 115 115 PRO HB2 H 1 2.26 0.01 . 2 . . . . 115 PRO HB2 . 25606 1 833 . 1 1 115 115 PRO HB3 H 1 1.85 0.01 . 2 . . . . 115 PRO HB3 . 25606 1 834 . 1 1 115 115 PRO C C 13 176.55 0.05 . 1 . . . . 115 PRO C . 25606 1 835 . 1 1 115 115 PRO CA C 13 62.88 0.05 . 1 . . . . 115 PRO CA . 25606 1 836 . 1 1 115 115 PRO CB C 13 32.15 0.05 . 1 . . . . 115 PRO CB . 25606 1 837 . 1 1 115 115 PRO N N 15 139.68 0.03 . 1 . . . . 115 PRO N . 25606 1 838 . 1 1 116 116 GLU H H 1 8.64 0.01 . 1 . . . . 116 GLU H . 25606 1 839 . 1 1 116 116 GLU HA H 1 4.53 0.01 . 1 . . . . 116 GLU HA . 25606 1 840 . 1 1 116 116 GLU HB2 H 1 2.05 0.01 . 2 . . . . 116 GLU HB2 . 25606 1 841 . 1 1 116 116 GLU HB3 H 1 1.89 0.01 . 2 . . . . 116 GLU HB3 . 25606 1 842 . 1 1 116 116 GLU C C 13 175.02 0.05 . 1 . . . . 116 GLU C . 25606 1 843 . 1 1 116 116 GLU CA C 13 54.34 0.05 . 1 . . . . 116 GLU CA . 25606 1 844 . 1 1 116 116 GLU CB C 13 29.54 0.05 . 1 . . . . 116 GLU CB . 25606 1 845 . 1 1 116 116 GLU N N 15 123.05 0.03 . 1 . . . . 116 GLU N . 25606 1 846 . 1 1 117 117 PRO HA H 1 4.38 0.01 . 1 . . . . 117 PRO HA . 25606 1 847 . 1 1 117 117 PRO HB2 H 1 2.31 0.01 . 2 . . . . 117 PRO HB2 . 25606 1 848 . 1 1 117 117 PRO HB3 H 1 1.94 0.01 . 2 . . . . 117 PRO HB3 . 25606 1 849 . 1 1 117 117 PRO C C 13 177.86 0.05 . 1 . . . . 117 PRO C . 25606 1 850 . 1 1 117 117 PRO CA C 13 63.72 0.05 . 1 . . . . 117 PRO CA . 25606 1 851 . 1 1 117 117 PRO CB C 13 31.98 0.05 . 1 . . . . 117 PRO CB . 25606 1 852 . 1 1 117 117 PRO N N 15 138.16 0.03 . 1 . . . . 117 PRO N . 25606 1 853 . 1 1 118 118 GLY H H 1 8.69 0.01 . 1 . . . . 118 GLY H . 25606 1 854 . 1 1 118 118 GLY HA2 H 1 3.93 0.01 . 1 . . . . 118 GLY HA2 . 25606 1 855 . 1 1 118 118 GLY HA3 H 1 3.93 0.01 . 1 . . . . 118 GLY HA3 . 25606 1 856 . 1 1 118 118 GLY C C 13 174.11 0.05 . 1 . . . . 118 GLY C . 25606 1 857 . 1 1 118 118 GLY CA C 13 45.17 0.05 . 1 . . . . 118 GLY CA . 25606 1 858 . 1 1 118 118 GLY N N 15 109.68 0.03 . 1 . . . . 118 GLY N . 25606 1 859 . 1 1 119 119 ALA H H 1 8.12 0.01 . 1 . . . . 119 ALA H . 25606 1 860 . 1 1 119 119 ALA HA H 1 4.27 0.01 . 1 . . . . 119 ALA HA . 25606 1 861 . 1 1 119 119 ALA HB1 H 1 1.40 0.01 . 1 . . . . 119 ALA HB1 . 25606 1 862 . 1 1 119 119 ALA HB2 H 1 1.40 0.01 . 1 . . . . 119 ALA HB2 . 25606 1 863 . 1 1 119 119 ALA HB3 H 1 1.40 0.01 . 1 . . . . 119 ALA HB3 . 25606 1 864 . 1 1 119 119 ALA C C 13 177.86 0.05 . 1 . . . . 119 ALA C . 25606 1 865 . 1 1 119 119 ALA CA C 13 52.61 0.05 . 1 . . . . 119 ALA CA . 25606 1 866 . 1 1 119 119 ALA CB C 13 19.31 0.05 . 1 . . . . 119 ALA CB . 25606 1 867 . 1 1 119 119 ALA N N 15 123.78 0.03 . 1 . . . . 119 ALA N . 25606 1 868 . 1 1 120 120 ALA H H 1 8.44 0.01 . 1 . . . . 120 ALA H . 25606 1 869 . 1 1 120 120 ALA HA H 1 4.29 0.01 . 1 . . . . 120 ALA HA . 25606 1 870 . 1 1 120 120 ALA HB1 H 1 1.38 0.01 . 1 . . . . 120 ALA HB1 . 25606 1 871 . 1 1 120 120 ALA HB2 H 1 1.38 0.01 . 1 . . . . 120 ALA HB2 . 25606 1 872 . 1 1 120 120 ALA HB3 H 1 1.38 0.01 . 1 . . . . 120 ALA HB3 . 25606 1 873 . 1 1 120 120 ALA C C 13 178.16 0.05 . 1 . . . . 120 ALA C . 25606 1 874 . 1 1 120 120 ALA CA C 13 52.63 0.05 . 1 . . . . 120 ALA CA . 25606 1 875 . 1 1 120 120 ALA CB C 13 19.03 0.05 . 1 . . . . 120 ALA CB . 25606 1 876 . 1 1 120 120 ALA N N 15 123.60 0.03 . 1 . . . . 120 ALA N . 25606 1 877 . 1 1 121 121 VAL H H 1 8.22 0.01 . 1 . . . . 121 VAL H . 25606 1 878 . 1 1 121 121 VAL HA H 1 4.03 0.01 . 1 . . . . 121 VAL HA . 25606 1 879 . 1 1 121 121 VAL HB H 1 2.05 0.01 . 1 . . . . 121 VAL HB . 25606 1 880 . 1 1 121 121 VAL C C 13 176.39 0.05 . 1 . . . . 121 VAL C . 25606 1 881 . 1 1 121 121 VAL CA C 13 62.38 0.05 . 1 . . . . 121 VAL CA . 25606 1 882 . 1 1 121 121 VAL CB C 13 32.76 0.05 . 1 . . . . 121 VAL CB . 25606 1 883 . 1 1 121 121 VAL N N 15 120.21 0.03 . 1 . . . . 121 VAL N . 25606 1 884 . 1 1 122 122 ALA H H 1 8.49 0.01 . 1 . . . . 122 ALA H . 25606 1 885 . 1 1 122 122 ALA HA H 1 4.26 0.01 . 1 . . . . 122 ALA HA . 25606 1 886 . 1 1 122 122 ALA HB1 H 1 1.39 0.01 . 1 . . . . 122 ALA HB1 . 25606 1 887 . 1 1 122 122 ALA HB2 H 1 1.39 0.01 . 1 . . . . 122 ALA HB2 . 25606 1 888 . 1 1 122 122 ALA HB3 H 1 1.39 0.01 . 1 . . . . 122 ALA HB3 . 25606 1 889 . 1 1 122 122 ALA C C 13 177.81 0.05 . 1 . . . . 122 ALA C . 25606 1 890 . 1 1 122 122 ALA CA C 13 52.67 0.05 . 1 . . . . 122 ALA CA . 25606 1 891 . 1 1 122 122 ALA CB C 13 19.20 0.05 . 1 . . . . 122 ALA CB . 25606 1 892 . 1 1 122 122 ALA N N 15 128.15 0.03 . 1 . . . . 122 ALA N . 25606 1 893 . 1 1 123 123 ALA H H 1 8.44 0.01 . 1 . . . . 123 ALA H . 25606 1 894 . 1 1 123 123 ALA HA H 1 4.28 0.01 . 1 . . . . 123 ALA HA . 25606 1 895 . 1 1 123 123 ALA HB1 H 1 1.39 0.01 . 1 . . . . 123 ALA HB1 . 25606 1 896 . 1 1 123 123 ALA HB2 H 1 1.39 0.01 . 1 . . . . 123 ALA HB2 . 25606 1 897 . 1 1 123 123 ALA HB3 H 1 1.39 0.01 . 1 . . . . 123 ALA HB3 . 25606 1 898 . 1 1 123 123 ALA C C 13 178.17 0.05 . 1 . . . . 123 ALA C . 25606 1 899 . 1 1 123 123 ALA CA C 13 52.65 0.05 . 1 . . . . 123 ALA CA . 25606 1 900 . 1 1 123 123 ALA CB C 13 19.07 0.05 . 1 . . . . 123 ALA CB . 25606 1 901 . 1 1 123 123 ALA N N 15 123.64 0.03 . 1 . . . . 123 ALA N . 25606 1 902 . 1 1 124 124 SER H H 1 8.38 0.01 . 1 . . . . 124 SER H . 25606 1 903 . 1 1 124 124 SER HA H 1 4.40 0.01 . 1 . . . . 124 SER HA . 25606 1 904 . 1 1 124 124 SER HB2 H 1 3.89 0.01 . 2 . . . . 124 SER HB2 . 25606 1 905 . 1 1 124 124 SER HB3 H 1 3.89 0.01 . 2 . . . . 124 SER HB3 . 25606 1 906 . 1 1 124 124 SER C C 13 174.84 0.05 . 1 . . . . 124 SER C . 25606 1 907 . 1 1 124 124 SER CA C 13 58.45 0.05 . 1 . . . . 124 SER CA . 25606 1 908 . 1 1 124 124 SER CB C 13 63.71 0.05 . 1 . . . . 124 SER CB . 25606 1 909 . 1 1 124 124 SER N N 15 115.36 0.03 . 1 . . . . 124 SER N . 25606 1 910 . 1 1 125 125 LYS H H 1 8.45 0.01 . 1 . . . . 125 LYS H . 25606 1 911 . 1 1 125 125 LYS HA H 1 4.33 0.01 . 1 . . . . 125 LYS HA . 25606 1 912 . 1 1 125 125 LYS HB2 H 1 1.89 0.01 . 2 . . . . 125 LYS HB2 . 25606 1 913 . 1 1 125 125 LYS HB3 H 1 1.78 0.01 . 2 . . . . 125 LYS HB3 . 25606 1 914 . 1 1 125 125 LYS C C 13 177.01 0.05 . 1 . . . . 125 LYS C . 25606 1 915 . 1 1 125 125 LYS CA C 13 56.48 0.05 . 1 . . . . 125 LYS CA . 25606 1 916 . 1 1 125 125 LYS CB C 13 32.95 0.05 . 1 . . . . 125 LYS CB . 25606 1 917 . 1 1 125 125 LYS N N 15 123.42 0.03 . 1 . . . . 125 LYS N . 25606 1 918 . 1 1 126 126 GLY H H 1 8.44 0.01 . 1 . . . . 126 GLY H . 25606 1 919 . 1 1 126 126 GLY HA2 H 1 3.93 0.01 . 1 . . . . 126 GLY HA2 . 25606 1 920 . 1 1 126 126 GLY HA3 H 1 3.93 0.01 . 1 . . . . 126 GLY HA3 . 25606 1 921 . 1 1 126 126 GLY C C 13 173.74 0.05 . 1 . . . . 126 GLY C . 25606 1 922 . 1 1 126 126 GLY CA C 13 44.90 0.05 . 1 . . . . 126 GLY CA . 25606 1 923 . 1 1 126 126 GLY N N 15 109.68 0.03 . 1 . . . . 126 GLY N . 25606 1 924 . 1 1 127 127 LEU H H 1 8.26 0.01 . 1 . . . . 127 LEU H . 25606 1 925 . 1 1 127 127 LEU HA H 1 4.61 0.01 . 1 . . . . 127 LEU HA . 25606 1 926 . 1 1 127 127 LEU HB2 H 1 1.57 0.01 . 2 . . . . 127 LEU HB2 . 25606 1 927 . 1 1 127 127 LEU HB3 H 1 1.57 0.01 . 2 . . . . 127 LEU HB3 . 25606 1 928 . 1 1 127 127 LEU C C 13 175.50 0.05 . 1 . . . . 127 LEU C . 25606 1 929 . 1 1 127 127 LEU CA C 13 53.11 0.05 . 1 . . . . 127 LEU CA . 25606 1 930 . 1 1 127 127 LEU CB C 13 41.49 0.05 . 1 . . . . 127 LEU CB . 25606 1 931 . 1 1 127 127 LEU N N 15 123.05 0.03 . 1 . . . . 127 LEU N . 25606 1 932 . 1 1 128 128 PRO HA H 1 4.41 0.01 . 1 . . . . 128 PRO HA . 25606 1 933 . 1 1 128 128 PRO HB2 H 1 2.30 0.01 . 2 . . . . 128 PRO HB2 . 25606 1 934 . 1 1 128 128 PRO HB3 H 1 1.88 0.01 . 2 . . . . 128 PRO HB3 . 25606 1 935 . 1 1 128 128 PRO C C 13 176.91 0.05 . 1 . . . . 128 PRO C . 25606 1 936 . 1 1 128 128 PRO CA C 13 63.08 0.05 . 1 . . . . 128 PRO CA . 25606 1 937 . 1 1 128 128 PRO CB C 13 31.97 0.05 . 1 . . . . 128 PRO CB . 25606 1 938 . 1 1 128 128 PRO N N 15 136.45 0.03 . 1 . . . . 128 PRO N . 25606 1 939 . 1 1 129 129 GLN H H 1 8.62 0.01 . 1 . . . . 129 GLN H . 25606 1 940 . 1 1 129 129 GLN HA H 1 4.26 0.01 . 1 . . . . 129 GLN HA . 25606 1 941 . 1 1 129 129 GLN HB2 H 1 2.06 0.01 . 2 . . . . 129 GLN HB2 . 25606 1 942 . 1 1 129 129 GLN HB3 H 1 1.97 0.01 . 2 . . . . 129 GLN HB3 . 25606 1 943 . 1 1 129 129 GLN C C 13 175.91 0.05 . 1 . . . . 129 GLN C . 25606 1 944 . 1 1 129 129 GLN CA C 13 55.73 0.05 . 1 . . . . 129 GLN CA . 25606 1 945 . 1 1 129 129 GLN CB C 13 29.66 0.05 . 1 . . . . 129 GLN CB . 25606 1 946 . 1 1 129 129 GLN N N 15 120.95 0.03 . 1 . . . . 129 GLN N . 25606 1 947 . 1 1 130 130 GLN H H 1 8.58 0.01 . 1 . . . . 130 GLN H . 25606 1 948 . 1 1 130 130 GLN HA H 1 4.33 0.01 . 1 . . . . 130 GLN HA . 25606 1 949 . 1 1 130 130 GLN HB2 H 1 2.06 0.01 . 2 . . . . 130 GLN HB2 . 25606 1 950 . 1 1 130 130 GLN HB3 H 1 1.96 0.01 . 2 . . . . 130 GLN HB3 . 25606 1 951 . 1 1 130 130 GLN C C 13 175.67 0.05 . 1 . . . . 130 GLN C . 25606 1 952 . 1 1 130 130 GLN CA C 13 55.43 0.05 . 1 . . . . 130 GLN CA . 25606 1 953 . 1 1 130 130 GLN CB C 13 29.59 0.05 . 1 . . . . 130 GLN CB . 25606 1 954 . 1 1 130 130 GLN N N 15 122.55 0.03 . 1 . . . . 130 GLN N . 25606 1 955 . 1 1 131 131 LEU H H 1 8.58 0.01 . 1 . . . . 131 LEU H . 25606 1 956 . 1 1 131 131 LEU HA H 1 4.60 0.01 . 1 . . . . 131 LEU HA . 25606 1 957 . 1 1 131 131 LEU HB2 H 1 1.58 0.01 . 2 . . . . 131 LEU HB2 . 25606 1 958 . 1 1 131 131 LEU HB3 H 1 1.58 0.01 . 2 . . . . 131 LEU HB3 . 25606 1 959 . 1 1 131 131 LEU C C 13 175.15 0.05 . 1 . . . . 131 LEU C . 25606 1 960 . 1 1 131 131 LEU CA C 13 53.10 0.05 . 1 . . . . 131 LEU CA . 25606 1 961 . 1 1 131 131 LEU CB C 13 41.47 0.05 . 1 . . . . 131 LEU CB . 25606 1 962 . 1 1 131 131 LEU N N 15 126.19 0.03 . 1 . . . . 131 LEU N . 25606 1 963 . 1 1 132 132 PRO HA H 1 4.40 0.01 . 1 . . . . 132 PRO HA . 25606 1 964 . 1 1 132 132 PRO HB2 H 1 2.28 0.01 . 2 . . . . 132 PRO HB2 . 25606 1 965 . 1 1 132 132 PRO HB3 H 1 1.88 0.01 . 2 . . . . 132 PRO HB3 . 25606 1 966 . 1 1 132 132 PRO C C 13 176.22 0.05 . 1 . . . . 132 PRO C . 25606 1 967 . 1 1 132 132 PRO CA C 13 62.72 0.05 . 1 . . . . 132 PRO CA . 25606 1 968 . 1 1 132 132 PRO CB C 13 32.04 0.05 . 1 . . . . 132 PRO CB . 25606 1 969 . 1 1 132 132 PRO N N 15 136.10 0.03 . 1 . . . . 132 PRO N . 25606 1 970 . 1 1 133 133 ALA H H 1 8.51 0.01 . 1 . . . . 133 ALA H . 25606 1 971 . 1 1 133 133 ALA HA H 1 4.57 0.01 . 1 . . . . 133 ALA HA . 25606 1 972 . 1 1 133 133 ALA HB1 H 1 1.34 0.01 . 1 . . . . 133 ALA HB1 . 25606 1 973 . 1 1 133 133 ALA HB2 H 1 1.34 0.01 . 1 . . . . 133 ALA HB2 . 25606 1 974 . 1 1 133 133 ALA HB3 H 1 1.34 0.01 . 1 . . . . 133 ALA HB3 . 25606 1 975 . 1 1 133 133 ALA C C 13 175.10 0.05 . 1 . . . . 133 ALA C . 25606 1 976 . 1 1 133 133 ALA CA C 13 50.33 0.05 . 1 . . . . 133 ALA CA . 25606 1 977 . 1 1 133 133 ALA CB C 13 17.96 0.05 . 1 . . . . 133 ALA CB . 25606 1 978 . 1 1 133 133 ALA N N 15 126.20 0.03 . 1 . . . . 133 ALA N . 25606 1 979 . 1 1 134 134 PRO HA H 1 4.69 0.01 . 1 . . . . 134 PRO HA . 25606 1 980 . 1 1 134 134 PRO HB2 H 1 2.34 0.01 . 2 . . . . 134 PRO HB2 . 25606 1 981 . 1 1 134 134 PRO HB3 H 1 1.96 0.01 . 2 . . . . 134 PRO HB3 . 25606 1 982 . 1 1 134 134 PRO C C 13 174.07 0.05 . 1 . . . . 134 PRO C . 25606 1 983 . 1 1 134 134 PRO CA C 13 61.33 0.05 . 1 . . . . 134 PRO CA . 25606 1 984 . 1 1 134 134 PRO CB C 13 30.64 0.05 . 1 . . . . 134 PRO CB . 25606 1 985 . 1 1 134 134 PRO N N 15 137.49 0.03 . 1 . . . . 134 PRO N . 25606 1 986 . 1 1 135 135 PRO HA H 1 4.23 0.01 . 1 . . . . 135 PRO HA . 25606 1 987 . 1 1 135 135 PRO HB2 H 1 2.23 0.01 . 2 . . . . 135 PRO HB2 . 25606 1 988 . 1 1 135 135 PRO HB3 H 1 1.89 0.01 . 2 . . . . 135 PRO HB3 . 25606 1 989 . 1 1 135 135 PRO CA C 13 64.61 0.05 . 1 . . . . 135 PRO CA . 25606 1 990 . 1 1 135 135 PRO CB C 13 32.00 0.05 . 1 . . . . 135 PRO CB . 25606 1 991 . 1 1 135 135 PRO N N 15 140.30 0.03 . 1 . . . . 135 PRO N . 25606 1 stop_ save_