data_17405 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17405 _Entry.Title ; IPSE/alpha-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-11 _Entry.Accession_date 2011-01-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'N. Helge' Meyer . . . 17405 2 Michael Sattler . . . 17405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 17405 '15N chemical shifts' 102 17405 '1H chemical shifts' 716 17405 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 2 . . 2012-03-09 2011-01-11 update BMRB 'update entry citation' 17405 1 . . 2011-05-03 2011-01-11 original author 'original release' 17405 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4AKA 'BMRB Entry Tracking System' 17405 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17405 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21516468 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N chemical shift assignments of IPSENLS.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 225 _Citation.Page_last 227 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'N. Helge' Meyer . . . 17405 1 2 Gabriele Schramm . . . 17405 1 3 Michael Sattler . . . 17405 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17405 _Assembly.ID 1 _Assembly.Name IPSE/alpha-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IPSE 1 $IPSE_alpha-1 A . yes native no no . . . 17405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IPSE_alpha-1 _Entity.Sf_category entity _Entity.Sf_framecode IPSE_alpha-1 _Entity.Entry_ID 17405 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IPSE/alpha-1 _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 ; GADSCKYCLQLYDETYERGS YIEVYKSVGSLSPPWTPGSV CVPFVNDTKRERPYWYLFDN VNYTGRITGLGHGTCIDDFT KSGFKGISSIKRCIQTKDGK VECINQ ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment ; IPSE delta NLS (res 21-124) ; _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11967 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4AKA . "Ipse Alpha-1, An Ige-binding Crystallin" . . . . . 100.00 106 100.00 100.00 4.36e-71 . . . . 17405 1 2 no PDB 4EL6 . "Crystal Structure Of Ipse/alpha-1 From Schistosoma Mansoni Eggs" . . . . . 100.00 106 100.00 100.00 4.36e-71 . . . . 17405 1 3 no EMBL CCD78463 . "putative interleukin-4-inducing protein precursor [Schistosoma mansoni]" . . . . . 99.06 134 99.05 100.00 3.62e-70 . . . . 17405 1 4 no GB AAK26170 . "interleukin-4-inducing protein precursor [Schistosoma mansoni]" . . . . . 99.06 134 99.05 100.00 4.00e-70 . . . . 17405 1 5 no GB AAZ85122 . "IL-4-inducing protein [Schistosoma mansoni]" . . . . . 99.06 134 99.05 100.00 4.00e-70 . . . . 17405 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 19 GLY . 17405 1 2 20 ALA . 17405 1 3 21 ASP . 17405 1 4 22 SER . 17405 1 5 23 CYS . 17405 1 6 24 LYS . 17405 1 7 25 TYR . 17405 1 8 26 CYS . 17405 1 9 27 LEU . 17405 1 10 28 GLN . 17405 1 11 29 LEU . 17405 1 12 30 TYR . 17405 1 13 31 ASP . 17405 1 14 32 GLU . 17405 1 15 33 THR . 17405 1 16 34 TYR . 17405 1 17 35 GLU . 17405 1 18 36 ARG . 17405 1 19 37 GLY . 17405 1 20 38 SER . 17405 1 21 39 TYR . 17405 1 22 40 ILE . 17405 1 23 41 GLU . 17405 1 24 42 VAL . 17405 1 25 43 TYR . 17405 1 26 44 LYS . 17405 1 27 45 SER . 17405 1 28 46 VAL . 17405 1 29 47 GLY . 17405 1 30 48 SER . 17405 1 31 49 LEU . 17405 1 32 50 SER . 17405 1 33 51 PRO . 17405 1 34 52 PRO . 17405 1 35 53 TRP . 17405 1 36 54 THR . 17405 1 37 55 PRO . 17405 1 38 56 GLY . 17405 1 39 57 SER . 17405 1 40 58 VAL . 17405 1 41 59 CYS . 17405 1 42 60 VAL . 17405 1 43 61 PRO . 17405 1 44 62 PHE . 17405 1 45 63 VAL . 17405 1 46 64 ASN . 17405 1 47 65 ASP . 17405 1 48 66 THR . 17405 1 49 67 LYS . 17405 1 50 68 ARG . 17405 1 51 69 GLU . 17405 1 52 70 ARG . 17405 1 53 71 PRO . 17405 1 54 72 TYR . 17405 1 55 73 TRP . 17405 1 56 74 TYR . 17405 1 57 75 LEU . 17405 1 58 76 PHE . 17405 1 59 77 ASP . 17405 1 60 78 ASN . 17405 1 61 79 VAL . 17405 1 62 80 ASN . 17405 1 63 81 TYR . 17405 1 64 82 THR . 17405 1 65 83 GLY . 17405 1 66 84 ARG . 17405 1 67 85 ILE . 17405 1 68 86 THR . 17405 1 69 87 GLY . 17405 1 70 88 LEU . 17405 1 71 89 GLY . 17405 1 72 90 HIS . 17405 1 73 91 GLY . 17405 1 74 92 THR . 17405 1 75 93 CYS . 17405 1 76 94 ILE . 17405 1 77 95 ASP . 17405 1 78 96 ASP . 17405 1 79 97 PHE . 17405 1 80 98 THR . 17405 1 81 99 LYS . 17405 1 82 100 SER . 17405 1 83 101 GLY . 17405 1 84 102 PHE . 17405 1 85 103 LYS . 17405 1 86 104 GLY . 17405 1 87 105 ILE . 17405 1 88 106 SER . 17405 1 89 107 SER . 17405 1 90 108 ILE . 17405 1 91 109 LYS . 17405 1 92 110 ARG . 17405 1 93 111 CYS . 17405 1 94 112 ILE . 17405 1 95 113 GLN . 17405 1 96 114 THR . 17405 1 97 115 LYS . 17405 1 98 116 ASP . 17405 1 99 117 GLY . 17405 1 100 118 LYS . 17405 1 101 119 VAL . 17405 1 102 120 GLU . 17405 1 103 121 CYS . 17405 1 104 122 ILE . 17405 1 105 123 ASN . 17405 1 106 124 GLN . 17405 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 17405 1 . ALA 2 2 17405 1 . ASP 3 3 17405 1 . SER 4 4 17405 1 . CYS 5 5 17405 1 . LYS 6 6 17405 1 . TYR 7 7 17405 1 . CYS 8 8 17405 1 . LEU 9 9 17405 1 . GLN 10 10 17405 1 . LEU 11 11 17405 1 . TYR 12 12 17405 1 . ASP 13 13 17405 1 . GLU 14 14 17405 1 . THR 15 15 17405 1 . TYR 16 16 17405 1 . GLU 17 17 17405 1 . ARG 18 18 17405 1 . GLY 19 19 17405 1 . SER 20 20 17405 1 . TYR 21 21 17405 1 . ILE 22 22 17405 1 . GLU 23 23 17405 1 . VAL 24 24 17405 1 . TYR 25 25 17405 1 . LYS 26 26 17405 1 . SER 27 27 17405 1 . VAL 28 28 17405 1 . GLY 29 29 17405 1 . SER 30 30 17405 1 . LEU 31 31 17405 1 . SER 32 32 17405 1 . PRO 33 33 17405 1 . PRO 34 34 17405 1 . TRP 35 35 17405 1 . THR 36 36 17405 1 . PRO 37 37 17405 1 . GLY 38 38 17405 1 . SER 39 39 17405 1 . VAL 40 40 17405 1 . CYS 41 41 17405 1 . VAL 42 42 17405 1 . PRO 43 43 17405 1 . PHE 44 44 17405 1 . VAL 45 45 17405 1 . ASN 46 46 17405 1 . ASP 47 47 17405 1 . THR 48 48 17405 1 . LYS 49 49 17405 1 . ARG 50 50 17405 1 . GLU 51 51 17405 1 . ARG 52 52 17405 1 . PRO 53 53 17405 1 . TYR 54 54 17405 1 . TRP 55 55 17405 1 . TYR 56 56 17405 1 . LEU 57 57 17405 1 . PHE 58 58 17405 1 . ASP 59 59 17405 1 . ASN 60 60 17405 1 . VAL 61 61 17405 1 . ASN 62 62 17405 1 . TYR 63 63 17405 1 . THR 64 64 17405 1 . GLY 65 65 17405 1 . ARG 66 66 17405 1 . ILE 67 67 17405 1 . THR 68 68 17405 1 . GLY 69 69 17405 1 . LEU 70 70 17405 1 . GLY 71 71 17405 1 . HIS 72 72 17405 1 . GLY 73 73 17405 1 . THR 74 74 17405 1 . CYS 75 75 17405 1 . ILE 76 76 17405 1 . ASP 77 77 17405 1 . ASP 78 78 17405 1 . PHE 79 79 17405 1 . THR 80 80 17405 1 . LYS 81 81 17405 1 . SER 82 82 17405 1 . GLY 83 83 17405 1 . PHE 84 84 17405 1 . LYS 85 85 17405 1 . GLY 86 86 17405 1 . ILE 87 87 17405 1 . SER 88 88 17405 1 . SER 89 89 17405 1 . ILE 90 90 17405 1 . LYS 91 91 17405 1 . ARG 92 92 17405 1 . CYS 93 93 17405 1 . ILE 94 94 17405 1 . GLN 95 95 17405 1 . THR 96 96 17405 1 . LYS 97 97 17405 1 . ASP 98 98 17405 1 . GLY 99 99 17405 1 . LYS 100 100 17405 1 . VAL 101 101 17405 1 . GLU 102 102 17405 1 . CYS 103 103 17405 1 . ILE 104 104 17405 1 . ASN 105 105 17405 1 . GLN 106 106 17405 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 17405 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IPSE_alpha-1 . 6183 organism . 'Schistosoma mansoni' Flatworm . . Eukaryota Fungi Schistosoma mansoni . . . . . . . . . . . . . . . . . . . . . 17405 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 17405 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IPSE_alpha-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet . . . . . . 17405 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17405 _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 IPSE/alpha-1 '[U-13C; U-15N]' . . 1 $IPSE_alpha-1 . . 1 . . mM . . . . 17405 1 2 IPSE/alpha-1 '[U-10% 13C]' . . 1 $IPSE_alpha-1 . . 1 . . mM . . . . 17405 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 17405 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 17405 1 pH 7.2 . pH 17405 1 pressure 1 . atm 17405 1 temperature 298 . K 17405 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17405 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17405 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17405 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17405 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17405 _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 III' . 750 . . . 17405 1 2 spectrometer_2 Bruker 'Avance III' . 900 . . . 17405 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 17405 _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 . . . . . . . . . . . . . . . . . . . . . 17405 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17405 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 17405 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17405 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17405 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17405 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 17405 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 17405 _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' . . . 17405 1 2 '2D 1H-13C HSQC aliphatic' . . . 17405 1 3 '2D 1H-13C HSQC aromatic' . . . 17405 1 4 '3D HNCACB' . . . 17405 1 5 '3D HCCH-TOCSY' . . . 17405 1 6 '3D 1H-13C NOESY aliphatic' . . . 17405 1 8 '3D 1H-15N NOESY' . . . 17405 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 3.797 0.015 . 1 . . . . 19 GLY HA2 . 17405 1 2 . 1 1 1 1 GLY HA3 H 1 3.797 0.015 . 1 . . . . 19 GLY HA3 . 17405 1 3 . 1 1 2 2 ALA HA H 1 4.339 0.015 . 1 . . . . 20 ALA HA . 17405 1 4 . 1 1 2 2 ALA HB1 H 1 1.387 0.003 . 1 . . . . 20 ALA QB . 17405 1 5 . 1 1 2 2 ALA HB2 H 1 1.387 0.003 . 1 . . . . 20 ALA QB . 17405 1 6 . 1 1 2 2 ALA HB3 H 1 1.387 0.003 . 1 . . . . 20 ALA QB . 17405 1 7 . 1 1 2 2 ALA C C 13 177.481 0.004 . 1 . . . . 20 ALA C . 17405 1 8 . 1 1 2 2 ALA CA C 13 52.923 0.150 . 1 . . . . 20 ALA CA . 17405 1 9 . 1 1 2 2 ALA CB C 13 19.180 0.150 . 1 . . . . 20 ALA CB . 17405 1 10 . 1 1 3 3 ASP H H 1 8.451 0.015 . 1 . . . . 21 ASP H . 17405 1 11 . 1 1 3 3 ASP HB2 H 1 2.992 0.015 . 1 . . . . 21 ASP HB2 . 17405 1 12 . 1 1 3 3 ASP C C 13 176.155 0.009 . 1 . . . . 21 ASP C . 17405 1 13 . 1 1 3 3 ASP CA C 13 54.051 0.150 . 1 . . . . 21 ASP CA . 17405 1 14 . 1 1 3 3 ASP CB C 13 41.160 0.150 . 1 . . . . 21 ASP CB . 17405 1 15 . 1 1 4 4 SER H H 1 8.105 0.015 . 1 . . . . 22 SER H . 17405 1 16 . 1 1 4 4 SER HA H 1 4.440 0.003 . 1 . . . . 22 SER HA . 17405 1 17 . 1 1 4 4 SER HB2 H 1 3.875 0.015 . 2 . . . . 22 SER HB2 . 17405 1 18 . 1 1 4 4 SER HB3 H 1 3.833 0.024 . 2 . . . . 22 SER HB3 . 17405 1 19 . 1 1 4 4 SER C C 13 174.237 0.000 . 1 . . . . 22 SER C . 17405 1 20 . 1 1 4 4 SER CA C 13 58.419 0.150 . 1 . . . . 22 SER CA . 17405 1 21 . 1 1 4 4 SER CB C 13 64.082 0.145 . 1 . . . . 22 SER CB . 17405 1 22 . 1 1 4 4 SER N N 15 115.678 0.234 . 1 . . . . 22 SER N . 17405 1 23 . 1 1 5 5 CYS HA H 1 4.523 0.015 . 1 . . . . 23 CYS HA . 17405 1 24 . 1 1 5 5 CYS C C 13 176.782 0.000 . 1 . . . . 23 CYS C . 17405 1 25 . 1 1 5 5 CYS CA C 13 57.143 0.150 . 1 . . . . 23 CYS CA . 17405 1 26 . 1 1 6 6 LYS H H 1 9.540 0.015 . 1 . . . . 24 LYS H . 17405 1 27 . 1 1 6 6 LYS HA H 1 4.205 0.015 . 1 . . . . 24 LYS HA . 17405 1 28 . 1 1 6 6 LYS HB2 H 1 1.543 0.011 . 2 . . . . 24 LYS HB2 . 17405 1 29 . 1 1 6 6 LYS HB3 H 1 1.327 0.015 . 2 . . . . 24 LYS HB3 . 17405 1 30 . 1 1 6 6 LYS HG2 H 1 1.285 0.015 . 1 . . . . 24 LYS HG2 . 17405 1 31 . 1 1 6 6 LYS HG3 H 1 1.285 0.015 . 1 . . . . 24 LYS HG3 . 17405 1 32 . 1 1 6 6 LYS HD2 H 1 1.648 0.010 . 1 . . . . 24 LYS HD2 . 17405 1 33 . 1 1 6 6 LYS HD3 H 1 1.648 0.010 . 1 . . . . 24 LYS HD3 . 17405 1 34 . 1 1 6 6 LYS HE2 H 1 3.051 0.015 . 1 . . . . 24 LYS HE2 . 17405 1 35 . 1 1 6 6 LYS HE3 H 1 3.051 0.015 . 1 . . . . 24 LYS HE3 . 17405 1 36 . 1 1 6 6 LYS C C 13 174.142 0.000 . 1 . . . . 24 LYS C . 17405 1 37 . 1 1 6 6 LYS CA C 13 57.099 0.239 . 1 . . . . 24 LYS CA . 17405 1 38 . 1 1 6 6 LYS CB C 13 33.313 0.118 . 1 . . . . 24 LYS CB . 17405 1 39 . 1 1 6 6 LYS CG C 13 25.151 0.005 . 1 . . . . 24 LYS CG . 17405 1 40 . 1 1 6 6 LYS CD C 13 28.842 0.150 . 1 . . . . 24 LYS CD . 17405 1 41 . 1 1 6 6 LYS CE C 13 42.221 0.150 . 1 . . . . 24 LYS CE . 17405 1 42 . 1 1 6 6 LYS N N 15 123.865 0.123 . 1 . . . . 24 LYS N . 17405 1 43 . 1 1 7 7 TYR H H 1 7.369 0.015 . 1 . . . . 25 TYR H . 17405 1 44 . 1 1 7 7 TYR HA H 1 5.060 0.026 . 1 . . . . 25 TYR HA . 17405 1 45 . 1 1 7 7 TYR HB2 H 1 3.326 0.005 . 2 . . . . 25 TYR HB2 . 17405 1 46 . 1 1 7 7 TYR HB3 H 1 3.094 0.008 . 2 . . . . 25 TYR HB3 . 17405 1 47 . 1 1 7 7 TYR HD1 H 1 7.129 0.012 . 1 . . . . 25 TYR HD1 . 17405 1 48 . 1 1 7 7 TYR HD2 H 1 7.129 0.012 . 1 . . . . 25 TYR HD2 . 17405 1 49 . 1 1 7 7 TYR HE1 H 1 6.906 0.004 . 1 . . . . 25 TYR HE1 . 17405 1 50 . 1 1 7 7 TYR HE2 H 1 6.906 0.004 . 1 . . . . 25 TYR HE2 . 17405 1 51 . 1 1 7 7 TYR C C 13 174.142 0.000 . 1 . . . . 25 TYR C . 17405 1 52 . 1 1 7 7 TYR CA C 13 57.132 0.150 . 1 . . . . 25 TYR CA . 17405 1 53 . 1 1 7 7 TYR CB C 13 38.362 0.047 . 1 . . . . 25 TYR CB . 17405 1 54 . 1 1 7 7 TYR CD1 C 13 133.410 0.034 . 1 . . . . 25 TYR CD1 . 17405 1 55 . 1 1 7 7 TYR CD2 C 13 133.410 0.034 . 1 . . . . 25 TYR CD2 . 17405 1 56 . 1 1 7 7 TYR CE1 C 13 118.445 0.043 . 1 . . . . 25 TYR CE1 . 17405 1 57 . 1 1 7 7 TYR CE2 C 13 118.445 0.043 . 1 . . . . 25 TYR CE2 . 17405 1 58 . 1 1 7 7 TYR N N 15 117.965 0.150 . 1 . . . . 25 TYR N . 17405 1 59 . 1 1 8 8 CYS HA H 1 4.659 0.004 . 1 . . . . 26 CYS HA . 17405 1 60 . 1 1 8 8 CYS HB2 H 1 3.614 0.013 . 2 . . . . 26 CYS HB2 . 17405 1 61 . 1 1 8 8 CYS HB3 H 1 3.235 0.008 . 2 . . . . 26 CYS HB3 . 17405 1 62 . 1 1 8 8 CYS C C 13 175.113 0.000 . 1 . . . . 26 CYS C . 17405 1 63 . 1 1 8 8 CYS CA C 13 55.136 0.215 . 1 . . . . 26 CYS CA . 17405 1 64 . 1 1 8 8 CYS CB C 13 41.156 0.056 . 1 . . . . 26 CYS CB . 17405 1 65 . 1 1 9 9 LEU H H 1 8.493 0.006 . 1 . . . . 27 LEU H . 17405 1 66 . 1 1 9 9 LEU HA H 1 3.893 0.015 . 1 . . . . 27 LEU HA . 17405 1 67 . 1 1 9 9 LEU HB2 H 1 0.471 0.015 . 2 . . . . 27 LEU HB2 . 17405 1 68 . 1 1 9 9 LEU HB3 H 1 -1.339 0.009 . 2 . . . . 27 LEU HB3 . 17405 1 69 . 1 1 9 9 LEU HG H 1 0.301 0.008 . 1 . . . . 27 LEU HG . 17405 1 70 . 1 1 9 9 LEU HD11 H 1 0.113 0.008 . 1 . . . . 27 LEU QD1 . 17405 1 71 . 1 1 9 9 LEU HD12 H 1 0.113 0.008 . 1 . . . . 27 LEU QD1 . 17405 1 72 . 1 1 9 9 LEU HD13 H 1 0.113 0.008 . 1 . . . . 27 LEU QD1 . 17405 1 73 . 1 1 9 9 LEU HD21 H 1 0.706 0.002 . 1 . . . . 27 LEU QD2 . 17405 1 74 . 1 1 9 9 LEU HD22 H 1 0.706 0.002 . 1 . . . . 27 LEU QD2 . 17405 1 75 . 1 1 9 9 LEU HD23 H 1 0.706 0.002 . 1 . . . . 27 LEU QD2 . 17405 1 76 . 1 1 9 9 LEU C C 13 174.927 0.000 . 1 . . . . 27 LEU C . 17405 1 77 . 1 1 9 9 LEU CA C 13 53.117 0.088 . 1 . . . . 27 LEU CA . 17405 1 78 . 1 1 9 9 LEU CB C 13 42.289 0.134 . 1 . . . . 27 LEU CB . 17405 1 79 . 1 1 9 9 LEU CG C 13 27.822 0.017 . 1 . . . . 27 LEU CG . 17405 1 80 . 1 1 9 9 LEU CD1 C 13 23.630 0.065 . 1 . . . . 27 LEU CD1 . 17405 1 81 . 1 1 9 9 LEU CD2 C 13 25.840 0.040 . 1 . . . . 27 LEU CD2 . 17405 1 82 . 1 1 9 9 LEU N N 15 121.778 0.255 . 1 . . . . 27 LEU N . 17405 1 83 . 1 1 10 10 GLN H H 1 8.547 0.014 . 1 . . . . 28 GLN H . 17405 1 84 . 1 1 10 10 GLN HA H 1 4.654 0.008 . 1 . . . . 28 GLN HA . 17405 1 85 . 1 1 10 10 GLN HB2 H 1 1.950 0.016 . 2 . . . . 28 GLN HB2 . 17405 1 86 . 1 1 10 10 GLN HB3 H 1 1.032 0.017 . 2 . . . . 28 GLN HB3 . 17405 1 87 . 1 1 10 10 GLN HG2 H 1 1.985 0.015 . 2 . . . . 28 GLN HG2 . 17405 1 88 . 1 1 10 10 GLN HG3 H 1 1.773 0.009 . 2 . . . . 28 GLN HG3 . 17405 1 89 . 1 1 10 10 GLN HE21 H 1 6.557 0.015 . 2 . . . . 28 GLN HE21 . 17405 1 90 . 1 1 10 10 GLN HE22 H 1 7.071 0.015 . 2 . . . . 28 GLN HE22 . 17405 1 91 . 1 1 10 10 GLN C C 13 174.977 0.004 . 1 . . . . 28 GLN C . 17405 1 92 . 1 1 10 10 GLN CA C 13 54.044 0.104 . 1 . . . . 28 GLN CA . 17405 1 93 . 1 1 10 10 GLN CB C 13 31.134 0.063 . 1 . . . . 28 GLN CB . 17405 1 94 . 1 1 10 10 GLN CG C 13 33.730 0.086 . 1 . . . . 28 GLN CG . 17405 1 95 . 1 1 10 10 GLN N N 15 123.418 0.049 . 1 . . . . 28 GLN N . 17405 1 96 . 1 1 10 10 GLN NE2 N 15 111.309 0.096 . 1 . . . . 28 GLN NE2 . 17405 1 97 . 1 1 11 11 LEU H H 1 8.599 0.017 . 1 . . . . 29 LEU H . 17405 1 98 . 1 1 11 11 LEU HA H 1 4.869 0.011 . 1 . . . . 29 LEU HA . 17405 1 99 . 1 1 11 11 LEU HB2 H 1 1.500 0.019 . 2 . . . . 29 LEU HB2 . 17405 1 100 . 1 1 11 11 LEU HB3 H 1 1.143 0.008 . 2 . . . . 29 LEU HB3 . 17405 1 101 . 1 1 11 11 LEU HG H 1 1.254 0.014 . 1 . . . . 29 LEU HG . 17405 1 102 . 1 1 11 11 LEU HD11 H 1 0.593 0.016 . 1 . . . . 29 LEU QD1 . 17405 1 103 . 1 1 11 11 LEU HD12 H 1 0.593 0.016 . 1 . . . . 29 LEU QD1 . 17405 1 104 . 1 1 11 11 LEU HD13 H 1 0.593 0.016 . 1 . . . . 29 LEU QD1 . 17405 1 105 . 1 1 11 11 LEU HD21 H 1 0.629 0.010 . 1 . . . . 29 LEU QD2 . 17405 1 106 . 1 1 11 11 LEU HD22 H 1 0.629 0.010 . 1 . . . . 29 LEU QD2 . 17405 1 107 . 1 1 11 11 LEU HD23 H 1 0.629 0.010 . 1 . . . . 29 LEU QD2 . 17405 1 108 . 1 1 11 11 LEU C C 13 175.348 0.000 . 1 . . . . 29 LEU C . 17405 1 109 . 1 1 11 11 LEU CA C 13 54.545 0.143 . 1 . . . . 29 LEU CA . 17405 1 110 . 1 1 11 11 LEU CB C 13 42.315 0.166 . 1 . . . . 29 LEU CB . 17405 1 111 . 1 1 11 11 LEU CG C 13 27.598 0.021 . 1 . . . . 29 LEU CG . 17405 1 112 . 1 1 11 11 LEU CD1 C 13 26.547 0.070 . 1 . . . . 29 LEU CD1 . 17405 1 113 . 1 1 11 11 LEU CD2 C 13 26.845 0.152 . 1 . . . . 29 LEU CD2 . 17405 1 114 . 1 1 11 11 LEU N N 15 122.200 0.097 . 1 . . . . 29 LEU N . 17405 1 115 . 1 1 12 12 TYR H H 1 8.895 0.010 . 1 . . . . 30 TYR H . 17405 1 116 . 1 1 12 12 TYR HA H 1 4.882 0.017 . 1 . . . . 30 TYR HA . 17405 1 117 . 1 1 12 12 TYR HB2 H 1 3.274 0.016 . 2 . . . . 30 TYR HB2 . 17405 1 118 . 1 1 12 12 TYR HB3 H 1 3.215 0.012 . 2 . . . . 30 TYR HB3 . 17405 1 119 . 1 1 12 12 TYR HD1 H 1 6.630 0.015 . 1 . . . . 30 TYR HD1 . 17405 1 120 . 1 1 12 12 TYR HD2 H 1 6.630 0.015 . 1 . . . . 30 TYR HD2 . 17405 1 121 . 1 1 12 12 TYR HE1 H 1 6.828 0.015 . 1 . . . . 30 TYR HE1 . 17405 1 122 . 1 1 12 12 TYR HE2 H 1 6.828 0.015 . 1 . . . . 30 TYR HE2 . 17405 1 123 . 1 1 12 12 TYR C C 13 177.276 0.097 . 1 . . . . 30 TYR C . 17405 1 124 . 1 1 12 12 TYR CA C 13 57.277 0.141 . 1 . . . . 30 TYR CA . 17405 1 125 . 1 1 12 12 TYR CB C 13 39.519 0.062 . 1 . . . . 30 TYR CB . 17405 1 126 . 1 1 12 12 TYR CD1 C 13 132.854 0.091 . 1 . . . . 30 TYR CD1 . 17405 1 127 . 1 1 12 12 TYR CD2 C 13 132.854 0.091 . 1 . . . . 30 TYR CD2 . 17405 1 128 . 1 1 12 12 TYR CE1 C 13 118.306 0.150 . 1 . . . . 30 TYR CE1 . 17405 1 129 . 1 1 12 12 TYR CE2 C 13 118.306 0.150 . 1 . . . . 30 TYR CE2 . 17405 1 130 . 1 1 12 12 TYR N N 15 124.687 0.127 . 1 . . . . 30 TYR N . 17405 1 131 . 1 1 13 13 ASP H H 1 8.967 0.007 . 1 . . . . 31 ASP H . 17405 1 132 . 1 1 13 13 ASP HA H 1 4.503 0.007 . 1 . . . . 31 ASP HA . 17405 1 133 . 1 1 13 13 ASP HB2 H 1 2.815 0.007 . 2 . . . . 31 ASP HB2 . 17405 1 134 . 1 1 13 13 ASP HB3 H 1 2.798 0.016 . 2 . . . . 31 ASP HB3 . 17405 1 135 . 1 1 13 13 ASP C C 13 176.650 0.000 . 1 . . . . 31 ASP C . 17405 1 136 . 1 1 13 13 ASP CA C 13 57.014 0.095 . 1 . . . . 31 ASP CA . 17405 1 137 . 1 1 13 13 ASP CB C 13 41.731 0.054 . 1 . . . . 31 ASP CB . 17405 1 138 . 1 1 13 13 ASP N N 15 121.048 0.035 . 1 . . . . 31 ASP N . 17405 1 139 . 1 1 14 14 GLU H H 1 7.952 0.016 . 1 . . . . 32 GLU H . 17405 1 140 . 1 1 14 14 GLU HA H 1 4.921 0.010 . 1 . . . . 32 GLU HA . 17405 1 141 . 1 1 14 14 GLU HB2 H 1 2.195 0.008 . 2 . . . . 32 GLU HB2 . 17405 1 142 . 1 1 14 14 GLU HB3 H 1 1.812 0.016 . 2 . . . . 32 GLU HB3 . 17405 1 143 . 1 1 14 14 GLU HG2 H 1 2.250 0.012 . 1 . . . . 32 GLU HG2 . 17405 1 144 . 1 1 14 14 GLU HG3 H 1 2.250 0.012 . 1 . . . . 32 GLU HG3 . 17405 1 145 . 1 1 14 14 GLU C C 13 176.456 0.009 . 1 . . . . 32 GLU C . 17405 1 146 . 1 1 14 14 GLU CA C 13 53.778 0.161 . 1 . . . . 32 GLU CA . 17405 1 147 . 1 1 14 14 GLU CB C 13 32.835 0.059 . 1 . . . . 32 GLU CB . 17405 1 148 . 1 1 14 14 GLU CG C 13 36.261 0.072 . 1 . . . . 32 GLU CG . 17405 1 149 . 1 1 14 14 GLU N N 15 115.544 0.086 . 1 . . . . 32 GLU N . 17405 1 150 . 1 1 15 15 THR H H 1 8.696 0.005 . 1 . . . . 33 THR H . 17405 1 151 . 1 1 15 15 THR HA H 1 3.988 0.017 . 1 . . . . 33 THR HA . 17405 1 152 . 1 1 15 15 THR HB H 1 4.521 0.013 . 1 . . . . 33 THR HB . 17405 1 153 . 1 1 15 15 THR HG21 H 1 1.548 0.014 . 1 . . . . 33 THR QG2 . 17405 1 154 . 1 1 15 15 THR HG22 H 1 1.548 0.014 . 1 . . . . 33 THR QG2 . 17405 1 155 . 1 1 15 15 THR HG23 H 1 1.548 0.014 . 1 . . . . 33 THR QG2 . 17405 1 156 . 1 1 15 15 THR C C 13 174.880 0.013 . 1 . . . . 33 THR C . 17405 1 157 . 1 1 15 15 THR CA C 13 61.453 0.142 . 1 . . . . 33 THR CA . 17405 1 158 . 1 1 15 15 THR CB C 13 70.160 0.156 . 1 . . . . 33 THR CB . 17405 1 159 . 1 1 15 15 THR CG2 C 13 22.344 0.127 . 1 . . . . 33 THR CG2 . 17405 1 160 . 1 1 15 15 THR N N 15 111.943 0.016 . 1 . . . . 33 THR N . 17405 1 161 . 1 1 16 16 TYR H H 1 9.500 0.009 . 1 . . . . 34 TYR H . 17405 1 162 . 1 1 16 16 TYR HA H 1 3.308 0.009 . 1 . . . . 34 TYR HA . 17405 1 163 . 1 1 16 16 TYR HB2 H 1 3.084 0.004 . 2 . . . . 34 TYR HB2 . 17405 1 164 . 1 1 16 16 TYR HB3 H 1 2.662 0.005 . 2 . . . . 34 TYR HB3 . 17405 1 165 . 1 1 16 16 TYR HD1 H 1 7.086 0.010 . 1 . . . . 34 TYR HD1 . 17405 1 166 . 1 1 16 16 TYR HD2 H 1 7.086 0.010 . 1 . . . . 34 TYR HD2 . 17405 1 167 . 1 1 16 16 TYR HE1 H 1 6.822 0.020 . 1 . . . . 34 TYR HE1 . 17405 1 168 . 1 1 16 16 TYR HE2 H 1 6.822 0.020 . 1 . . . . 34 TYR HE2 . 17405 1 169 . 1 1 16 16 TYR C C 13 173.565 0.005 . 1 . . . . 34 TYR C . 17405 1 170 . 1 1 16 16 TYR CA C 13 60.666 0.096 . 1 . . . . 34 TYR CA . 17405 1 171 . 1 1 16 16 TYR CB C 13 34.791 0.094 . 1 . . . . 34 TYR CB . 17405 1 172 . 1 1 16 16 TYR CD1 C 13 132.508 0.044 . 1 . . . . 34 TYR CD1 . 17405 1 173 . 1 1 16 16 TYR CD2 C 13 132.508 0.044 . 1 . . . . 34 TYR CD2 . 17405 1 174 . 1 1 16 16 TYR CE1 C 13 118.178 0.068 . 1 . . . . 34 TYR CE1 . 17405 1 175 . 1 1 16 16 TYR CE2 C 13 118.178 0.068 . 1 . . . . 34 TYR CE2 . 17405 1 176 . 1 1 16 16 TYR N N 15 113.682 0.143 . 1 . . . . 34 TYR N . 17405 1 177 . 1 1 17 17 GLU H H 1 8.176 0.009 . 1 . . . . 35 GLU H . 17405 1 178 . 1 1 17 17 GLU HA H 1 2.111 0.010 . 1 . . . . 35 GLU HA . 17405 1 179 . 1 1 17 17 GLU HB2 H 1 1.935 0.009 . 2 . . . . 35 GLU HB2 . 17405 1 180 . 1 1 17 17 GLU HB3 H 1 0.956 0.008 . 2 . . . . 35 GLU HB3 . 17405 1 181 . 1 1 17 17 GLU HG2 H 1 2.201 0.023 . 2 . . . . 35 GLU HG2 . 17405 1 182 . 1 1 17 17 GLU HG3 H 1 1.472 0.012 . 2 . . . . 35 GLU HG3 . 17405 1 183 . 1 1 17 17 GLU C C 13 174.598 0.000 . 1 . . . . 35 GLU C . 17405 1 184 . 1 1 17 17 GLU CA C 13 56.857 0.121 . 1 . . . . 35 GLU CA . 17405 1 185 . 1 1 17 17 GLU CB C 13 24.733 0.242 . 1 . . . . 35 GLU CB . 17405 1 186 . 1 1 17 17 GLU CG C 13 35.658 0.103 . 1 . . . . 35 GLU CG . 17405 1 187 . 1 1 17 17 GLU N N 15 107.851 0.087 . 1 . . . . 35 GLU N . 17405 1 188 . 1 1 18 18 ARG H H 1 6.210 0.014 . 1 . . . . 36 ARG H . 17405 1 189 . 1 1 18 18 ARG HA H 1 4.527 0.010 . 1 . . . . 36 ARG HA . 17405 1 190 . 1 1 18 18 ARG HB2 H 1 1.749 0.023 . 2 . . . . 36 ARG HB2 . 17405 1 191 . 1 1 18 18 ARG HB3 H 1 1.787 0.015 . 2 . . . . 36 ARG HB3 . 17405 1 192 . 1 1 18 18 ARG HG2 H 1 1.710 0.008 . 2 . . . . 36 ARG HG2 . 17405 1 193 . 1 1 18 18 ARG HG3 H 1 1.615 0.001 . 2 . . . . 36 ARG HG3 . 17405 1 194 . 1 1 18 18 ARG HD2 H 1 3.236 0.017 . 2 . . . . 36 ARG HD2 . 17405 1 195 . 1 1 18 18 ARG HD3 H 1 3.131 0.020 . 2 . . . . 36 ARG HD3 . 17405 1 196 . 1 1 18 18 ARG C C 13 175.225 0.000 . 1 . . . . 36 ARG C . 17405 1 197 . 1 1 18 18 ARG CA C 13 54.744 0.074 . 1 . . . . 36 ARG CA . 17405 1 198 . 1 1 18 18 ARG CB C 13 32.758 0.117 . 1 . . . . 36 ARG CB . 17405 1 199 . 1 1 18 18 ARG CG C 13 26.863 0.053 . 1 . . . . 36 ARG CG . 17405 1 200 . 1 1 18 18 ARG CD C 13 43.584 0.050 . 1 . . . . 36 ARG CD . 17405 1 201 . 1 1 18 18 ARG N N 15 117.310 0.069 . 1 . . . . 36 ARG N . 17405 1 202 . 1 1 19 19 GLY H H 1 8.236 0.010 . 1 . . . . 37 GLY H . 17405 1 203 . 1 1 19 19 GLY HA2 H 1 3.845 0.009 . 2 . . . . 37 GLY HA2 . 17405 1 204 . 1 1 19 19 GLY HA3 H 1 4.332 0.006 . 2 . . . . 37 GLY HA3 . 17405 1 205 . 1 1 19 19 GLY C C 13 174.773 0.055 . 1 . . . . 37 GLY C . 17405 1 206 . 1 1 19 19 GLY CA C 13 44.675 0.077 . 1 . . . . 37 GLY CA . 17405 1 207 . 1 1 19 19 GLY N N 15 105.542 0.013 . 1 . . . . 37 GLY N . 17405 1 208 . 1 1 20 20 SER H H 1 8.421 0.006 . 1 . . . . 38 SER H . 17405 1 209 . 1 1 20 20 SER HA H 1 4.368 0.010 . 1 . . . . 38 SER HA . 17405 1 210 . 1 1 20 20 SER HB2 H 1 3.795 0.010 . 1 . . . . 38 SER HB2 . 17405 1 211 . 1 1 20 20 SER HB3 H 1 3.795 0.010 . 1 . . . . 38 SER HB3 . 17405 1 212 . 1 1 20 20 SER C C 13 172.110 0.000 . 1 . . . . 38 SER C . 17405 1 213 . 1 1 20 20 SER CA C 13 58.956 0.129 . 1 . . . . 38 SER CA . 17405 1 214 . 1 1 20 20 SER CB C 13 63.813 0.059 . 1 . . . . 38 SER CB . 17405 1 215 . 1 1 20 20 SER N N 15 115.059 0.020 . 1 . . . . 38 SER N . 17405 1 216 . 1 1 21 21 TYR H H 1 7.634 0.009 . 1 . . . . 39 TYR H . 17405 1 217 . 1 1 21 21 TYR HA H 1 5.276 0.011 . 1 . . . . 39 TYR HA . 17405 1 218 . 1 1 21 21 TYR HB2 H 1 1.883 0.011 . 2 . . . . 39 TYR HB2 . 17405 1 219 . 1 1 21 21 TYR HB3 H 1 1.867 0.006 . 2 . . . . 39 TYR HB3 . 17405 1 220 . 1 1 21 21 TYR HD1 H 1 6.513 0.011 . 1 . . . . 39 TYR HD1 . 17405 1 221 . 1 1 21 21 TYR HD2 H 1 6.513 0.011 . 1 . . . . 39 TYR HD2 . 17405 1 222 . 1 1 21 21 TYR HE1 H 1 6.705 0.007 . 1 . . . . 39 TYR HE1 . 17405 1 223 . 1 1 21 21 TYR HE2 H 1 6.705 0.007 . 1 . . . . 39 TYR HE2 . 17405 1 224 . 1 1 21 21 TYR C C 13 174.361 0.017 . 1 . . . . 39 TYR C . 17405 1 225 . 1 1 21 21 TYR CA C 13 54.699 0.090 . 1 . . . . 39 TYR CA . 17405 1 226 . 1 1 21 21 TYR CB C 13 40.794 0.047 . 1 . . . . 39 TYR CB . 17405 1 227 . 1 1 21 21 TYR CD1 C 13 133.452 0.171 . 1 . . . . 39 TYR CD1 . 17405 1 228 . 1 1 21 21 TYR CD2 C 13 133.452 0.171 . 1 . . . . 39 TYR CD2 . 17405 1 229 . 1 1 21 21 TYR CE1 C 13 118.020 0.093 . 1 . . . . 39 TYR CE1 . 17405 1 230 . 1 1 21 21 TYR CE2 C 13 118.020 0.093 . 1 . . . . 39 TYR CE2 . 17405 1 231 . 1 1 21 21 TYR N N 15 116.561 0.115 . 1 . . . . 39 TYR N . 17405 1 232 . 1 1 22 22 ILE H H 1 8.270 0.004 . 1 . . . . 40 ILE H . 17405 1 233 . 1 1 22 22 ILE HA H 1 4.200 0.008 . 1 . . . . 40 ILE HA . 17405 1 234 . 1 1 22 22 ILE HB H 1 1.429 0.013 . 1 . . . . 40 ILE HB . 17405 1 235 . 1 1 22 22 ILE HG12 H 1 1.157 0.017 . 2 . . . . 40 ILE HG12 . 17405 1 236 . 1 1 22 22 ILE HG13 H 1 0.786 0.014 . 2 . . . . 40 ILE HG13 . 17405 1 237 . 1 1 22 22 ILE HG21 H 1 0.650 0.012 . 1 . . . . 40 ILE QG2 . 17405 1 238 . 1 1 22 22 ILE HG22 H 1 0.650 0.012 . 1 . . . . 40 ILE QG2 . 17405 1 239 . 1 1 22 22 ILE HG23 H 1 0.650 0.012 . 1 . . . . 40 ILE QG2 . 17405 1 240 . 1 1 22 22 ILE HD11 H 1 0.206 0.010 . 1 . . . . 40 ILE QD1 . 17405 1 241 . 1 1 22 22 ILE HD12 H 1 0.206 0.010 . 1 . . . . 40 ILE QD1 . 17405 1 242 . 1 1 22 22 ILE HD13 H 1 0.206 0.010 . 1 . . . . 40 ILE QD1 . 17405 1 243 . 1 1 22 22 ILE C C 13 174.244 0.025 . 1 . . . . 40 ILE C . 17405 1 244 . 1 1 22 22 ILE CA C 13 59.152 0.109 . 1 . . . . 40 ILE CA . 17405 1 245 . 1 1 22 22 ILE CB C 13 41.618 0.074 . 1 . . . . 40 ILE CB . 17405 1 246 . 1 1 22 22 ILE CG1 C 13 27.101 0.121 . 1 . . . . 40 ILE CG1 . 17405 1 247 . 1 1 22 22 ILE CG2 C 13 17.685 0.102 . 1 . . . . 40 ILE CG2 . 17405 1 248 . 1 1 22 22 ILE CD1 C 13 12.895 0.085 . 1 . . . . 40 ILE CD1 . 17405 1 249 . 1 1 22 22 ILE N N 15 120.142 0.082 . 1 . . . . 40 ILE N . 17405 1 250 . 1 1 23 23 GLU H H 1 8.151 0.012 . 1 . . . . 41 GLU H . 17405 1 251 . 1 1 23 23 GLU HA H 1 4.847 0.015 . 1 . . . . 41 GLU HA . 17405 1 252 . 1 1 23 23 GLU HB2 H 1 1.524 0.017 . 2 . . . . 41 GLU HB2 . 17405 1 253 . 1 1 23 23 GLU HB3 H 1 2.003 0.003 . 2 . . . . 41 GLU HB3 . 17405 1 254 . 1 1 23 23 GLU HG2 H 1 2.016 0.015 . 2 . . . . 41 GLU HG2 . 17405 1 255 . 1 1 23 23 GLU HG3 H 1 2.296 0.014 . 2 . . . . 41 GLU HG3 . 17405 1 256 . 1 1 23 23 GLU C C 13 175.473 0.015 . 1 . . . . 41 GLU C . 17405 1 257 . 1 1 23 23 GLU CA C 13 54.232 0.138 . 1 . . . . 41 GLU CA . 17405 1 258 . 1 1 23 23 GLU CB C 13 32.672 0.142 . 1 . . . . 41 GLU CB . 17405 1 259 . 1 1 23 23 GLU CG C 13 37.457 0.073 . 1 . . . . 41 GLU CG . 17405 1 260 . 1 1 23 23 GLU N N 15 122.124 0.022 . 1 . . . . 41 GLU N . 17405 1 261 . 1 1 24 24 VAL H H 1 8.646 0.015 . 1 . . . . 42 VAL H . 17405 1 262 . 1 1 24 24 VAL HA H 1 4.249 0.005 . 1 . . . . 42 VAL HA . 17405 1 263 . 1 1 24 24 VAL HB H 1 1.605 0.013 . 1 . . . . 42 VAL HB . 17405 1 264 . 1 1 24 24 VAL HG11 H 1 1.223 0.009 . 1 . . . . 42 VAL QG1 . 17405 1 265 . 1 1 24 24 VAL HG12 H 1 1.223 0.009 . 1 . . . . 42 VAL QG1 . 17405 1 266 . 1 1 24 24 VAL HG13 H 1 1.223 0.009 . 1 . . . . 42 VAL QG1 . 17405 1 267 . 1 1 24 24 VAL HG21 H 1 0.880 0.006 . 1 . . . . 42 VAL QG2 . 17405 1 268 . 1 1 24 24 VAL HG22 H 1 0.880 0.006 . 1 . . . . 42 VAL QG2 . 17405 1 269 . 1 1 24 24 VAL HG23 H 1 0.880 0.006 . 1 . . . . 42 VAL QG2 . 17405 1 270 . 1 1 24 24 VAL C C 13 174.949 0.029 . 1 . . . . 42 VAL C . 17405 1 271 . 1 1 24 24 VAL CA C 13 61.605 0.103 . 1 . . . . 42 VAL CA . 17405 1 272 . 1 1 24 24 VAL CB C 13 34.513 0.178 . 1 . . . . 42 VAL CB . 17405 1 273 . 1 1 24 24 VAL CG1 C 13 22.399 0.101 . 1 . . . . 42 VAL CG1 . 17405 1 274 . 1 1 24 24 VAL CG2 C 13 22.156 0.059 . 1 . . . . 42 VAL CG2 . 17405 1 275 . 1 1 24 24 VAL N N 15 122.851 0.063 . 1 . . . . 42 VAL N . 17405 1 276 . 1 1 25 25 TYR H H 1 9.213 0.017 . 1 . . . . 43 TYR H . 17405 1 277 . 1 1 25 25 TYR HA H 1 4.971 0.014 . 1 . . . . 43 TYR HA . 17405 1 278 . 1 1 25 25 TYR HB2 H 1 2.922 0.013 . 2 . . . . 43 TYR HB2 . 17405 1 279 . 1 1 25 25 TYR HB3 H 1 3.434 0.006 . 2 . . . . 43 TYR HB3 . 17405 1 280 . 1 1 25 25 TYR HD1 H 1 7.263 0.013 . 1 . . . . 43 TYR HD1 . 17405 1 281 . 1 1 25 25 TYR HD2 H 1 7.263 0.013 . 1 . . . . 43 TYR HD2 . 17405 1 282 . 1 1 25 25 TYR HE1 H 1 6.957 0.005 . 1 . . . . 43 TYR HE1 . 17405 1 283 . 1 1 25 25 TYR HE2 H 1 6.957 0.005 . 1 . . . . 43 TYR HE2 . 17405 1 284 . 1 1 25 25 TYR C C 13 175.700 0.030 . 1 . . . . 43 TYR C . 17405 1 285 . 1 1 25 25 TYR CA C 13 59.095 0.126 . 1 . . . . 43 TYR CA . 17405 1 286 . 1 1 25 25 TYR CB C 13 41.459 0.103 . 1 . . . . 43 TYR CB . 17405 1 287 . 1 1 25 25 TYR CD1 C 13 133.386 0.082 . 1 . . . . 43 TYR CD1 . 17405 1 288 . 1 1 25 25 TYR CD2 C 13 133.386 0.082 . 1 . . . . 43 TYR CD2 . 17405 1 289 . 1 1 25 25 TYR CE1 C 13 119.371 0.108 . 1 . . . . 43 TYR CE1 . 17405 1 290 . 1 1 25 25 TYR CE2 C 13 119.371 0.108 . 1 . . . . 43 TYR CE2 . 17405 1 291 . 1 1 25 25 TYR N N 15 121.901 0.035 . 1 . . . . 43 TYR N . 17405 1 292 . 1 1 26 26 LYS H H 1 7.806 0.011 . 1 . . . . 44 LYS H . 17405 1 293 . 1 1 26 26 LYS HA H 1 4.857 0.009 . 1 . . . . 44 LYS HA . 17405 1 294 . 1 1 26 26 LYS HB2 H 1 2.102 0.006 . 2 . . . . 44 LYS HB2 . 17405 1 295 . 1 1 26 26 LYS HB3 H 1 1.990 0.008 . 2 . . . . 44 LYS HB3 . 17405 1 296 . 1 1 26 26 LYS HG2 H 1 1.535 0.014 . 1 . . . . 44 LYS HG2 . 17405 1 297 . 1 1 26 26 LYS HG3 H 1 1.535 0.014 . 1 . . . . 44 LYS HG3 . 17405 1 298 . 1 1 26 26 LYS HD2 H 1 1.801 0.010 . 1 . . . . 44 LYS HD2 . 17405 1 299 . 1 1 26 26 LYS HD3 H 1 1.801 0.010 . 1 . . . . 44 LYS HD3 . 17405 1 300 . 1 1 26 26 LYS HE2 H 1 3.101 0.002 . 1 . . . . 44 LYS HE2 . 17405 1 301 . 1 1 26 26 LYS HE3 H 1 3.101 0.002 . 1 . . . . 44 LYS HE3 . 17405 1 302 . 1 1 26 26 LYS C C 13 173.914 0.003 . 1 . . . . 44 LYS C . 17405 1 303 . 1 1 26 26 LYS CA C 13 54.541 0.101 . 1 . . . . 44 LYS CA . 17405 1 304 . 1 1 26 26 LYS CB C 13 36.418 0.079 . 1 . . . . 44 LYS CB . 17405 1 305 . 1 1 26 26 LYS CG C 13 23.651 0.064 . 1 . . . . 44 LYS CG . 17405 1 306 . 1 1 26 26 LYS CD C 13 29.622 0.239 . 1 . . . . 44 LYS CD . 17405 1 307 . 1 1 26 26 LYS CE C 13 42.249 0.116 . 1 . . . . 44 LYS CE . 17405 1 308 . 1 1 26 26 LYS N N 15 118.179 0.074 . 1 . . . . 44 LYS N . 17405 1 309 . 1 1 27 27 SER H H 1 8.504 0.018 . 1 . . . . 45 SER H . 17405 1 310 . 1 1 27 27 SER HA H 1 4.688 0.001 . 1 . . . . 45 SER HA . 17405 1 311 . 1 1 27 27 SER HB2 H 1 4.643 0.019 . 2 . . . . 45 SER HB2 . 17405 1 312 . 1 1 27 27 SER HB3 H 1 3.865 0.015 . 2 . . . . 45 SER HB3 . 17405 1 313 . 1 1 27 27 SER C C 13 173.579 0.000 . 1 . . . . 45 SER C . 17405 1 314 . 1 1 27 27 SER CA C 13 59.765 0.068 . 1 . . . . 45 SER CA . 17405 1 315 . 1 1 27 27 SER CB C 13 63.726 0.132 . 1 . . . . 45 SER CB . 17405 1 316 . 1 1 27 27 SER N N 15 114.618 0.089 . 1 . . . . 45 SER N . 17405 1 317 . 1 1 28 28 VAL H H 1 9.674 0.011 . 1 . . . . 46 VAL H . 17405 1 318 . 1 1 28 28 VAL HA H 1 4.415 0.012 . 1 . . . . 46 VAL HA . 17405 1 319 . 1 1 28 28 VAL HB H 1 2.028 0.004 . 1 . . . . 46 VAL HB . 17405 1 320 . 1 1 28 28 VAL HG11 H 1 0.925 0.009 . 1 . . . . 46 VAL QG1 . 17405 1 321 . 1 1 28 28 VAL HG12 H 1 0.925 0.009 . 1 . . . . 46 VAL QG1 . 17405 1 322 . 1 1 28 28 VAL HG13 H 1 0.925 0.009 . 1 . . . . 46 VAL QG1 . 17405 1 323 . 1 1 28 28 VAL HG21 H 1 1.041 0.015 . 1 . . . . 46 VAL QG2 . 17405 1 324 . 1 1 28 28 VAL HG22 H 1 1.041 0.015 . 1 . . . . 46 VAL QG2 . 17405 1 325 . 1 1 28 28 VAL HG23 H 1 1.041 0.015 . 1 . . . . 46 VAL QG2 . 17405 1 326 . 1 1 28 28 VAL C C 13 175.015 0.007 . 1 . . . . 46 VAL C . 17405 1 327 . 1 1 28 28 VAL CA C 13 61.328 0.151 . 1 . . . . 46 VAL CA . 17405 1 328 . 1 1 28 28 VAL CB C 13 34.573 0.081 . 1 . . . . 46 VAL CB . 17405 1 329 . 1 1 28 28 VAL CG1 C 13 20.678 0.080 . 1 . . . . 46 VAL CG1 . 17405 1 330 . 1 1 28 28 VAL CG2 C 13 20.954 0.098 . 1 . . . . 46 VAL CG2 . 17405 1 331 . 1 1 28 28 VAL N N 15 123.783 0.081 . 1 . . . . 46 VAL N . 17405 1 332 . 1 1 29 29 GLY H H 1 8.698 0.020 . 1 . . . . 47 GLY H . 17405 1 333 . 1 1 29 29 GLY HA2 H 1 3.564 0.015 . 2 . . . . 47 GLY HA2 . 17405 1 334 . 1 1 29 29 GLY HA3 H 1 3.526 0.019 . 2 . . . . 47 GLY HA3 . 17405 1 335 . 1 1 29 29 GLY C C 13 172.975 0.034 . 1 . . . . 47 GLY C . 17405 1 336 . 1 1 29 29 GLY CA C 13 46.729 0.172 . 1 . . . . 47 GLY CA . 17405 1 337 . 1 1 29 29 GLY N N 15 114.439 0.107 . 1 . . . . 47 GLY N . 17405 1 338 . 1 1 30 30 SER H H 1 7.075 0.008 . 1 . . . . 48 SER H . 17405 1 339 . 1 1 30 30 SER HA H 1 4.708 0.016 . 1 . . . . 48 SER HA . 17405 1 340 . 1 1 30 30 SER HB2 H 1 3.617 0.007 . 1 . . . . 48 SER HB2 . 17405 1 341 . 1 1 30 30 SER HB3 H 1 3.617 0.007 . 1 . . . . 48 SER HB3 . 17405 1 342 . 1 1 30 30 SER C C 13 172.524 0.001 . 1 . . . . 48 SER C . 17405 1 343 . 1 1 30 30 SER CA C 13 57.902 0.181 . 1 . . . . 48 SER CA . 17405 1 344 . 1 1 30 30 SER CB C 13 63.573 0.073 . 1 . . . . 48 SER CB . 17405 1 345 . 1 1 30 30 SER N N 15 111.121 0.054 . 1 . . . . 48 SER N . 17405 1 346 . 1 1 31 31 LEU H H 1 7.875 0.017 . 1 . . . . 49 LEU H . 17405 1 347 . 1 1 31 31 LEU HA H 1 4.292 0.011 . 1 . . . . 49 LEU HA . 17405 1 348 . 1 1 31 31 LEU HB2 H 1 0.775 0.009 . 2 . . . . 49 LEU HB2 . 17405 1 349 . 1 1 31 31 LEU HB3 H 1 1.511 0.011 . 2 . . . . 49 LEU HB3 . 17405 1 350 . 1 1 31 31 LEU HG H 1 0.847 0.010 . 1 . . . . 49 LEU HG . 17405 1 351 . 1 1 31 31 LEU HD11 H 1 -0.181 0.010 . 1 . . . . 49 LEU QD1 . 17405 1 352 . 1 1 31 31 LEU HD12 H 1 -0.181 0.010 . 1 . . . . 49 LEU QD1 . 17405 1 353 . 1 1 31 31 LEU HD13 H 1 -0.181 0.010 . 1 . . . . 49 LEU QD1 . 17405 1 354 . 1 1 31 31 LEU HD21 H 1 0.110 0.008 . 1 . . . . 49 LEU QD2 . 17405 1 355 . 1 1 31 31 LEU HD22 H 1 0.110 0.008 . 1 . . . . 49 LEU QD2 . 17405 1 356 . 1 1 31 31 LEU HD23 H 1 0.110 0.008 . 1 . . . . 49 LEU QD2 . 17405 1 357 . 1 1 31 31 LEU C C 13 174.735 0.012 . 1 . . . . 49 LEU C . 17405 1 358 . 1 1 31 31 LEU CA C 13 53.771 28.154 . 1 . . . . 49 LEU CA . 17405 1 359 . 1 1 31 31 LEU CB C 13 42.755 0.057 . 1 . . . . 49 LEU CB . 17405 1 360 . 1 1 31 31 LEU CG C 13 25.638 0.196 . 1 . . . . 49 LEU CG . 17405 1 361 . 1 1 31 31 LEU CD1 C 13 24.169 0.112 . 1 . . . . 49 LEU CD1 . 17405 1 362 . 1 1 31 31 LEU CD2 C 13 23.303 0.058 . 1 . . . . 49 LEU CD2 . 17405 1 363 . 1 1 31 31 LEU N N 15 129.300 0.047 . 1 . . . . 49 LEU N . 17405 1 364 . 1 1 32 32 SER H H 1 8.018 0.016 . 1 . . . . 50 SER H . 17405 1 365 . 1 1 32 32 SER HA H 1 4.431 0.007 . 1 . . . . 50 SER HA . 17405 1 366 . 1 1 32 32 SER HB2 H 1 3.501 0.008 . 2 . . . . 50 SER HB2 . 17405 1 367 . 1 1 32 32 SER HB3 H 1 3.661 0.007 . 2 . . . . 50 SER HB3 . 17405 1 368 . 1 1 32 32 SER C C 13 172.758 0.000 . 1 . . . . 50 SER C . 17405 1 369 . 1 1 32 32 SER CA C 13 54.289 0.073 . 1 . . . . 50 SER CA . 17405 1 370 . 1 1 32 32 SER CB C 13 64.425 0.187 . 1 . . . . 50 SER CB . 17405 1 371 . 1 1 32 32 SER N N 15 116.223 0.087 . 1 . . . . 50 SER N . 17405 1 372 . 1 1 33 33 PRO HA H 1 5.055 0.005 . 1 . . . . 51 PRO HA . 17405 1 373 . 1 1 33 33 PRO HB2 H 1 2.537 0.005 . 2 . . . . 51 PRO HB2 . 17405 1 374 . 1 1 33 33 PRO HB3 H 1 2.125 0.013 . 2 . . . . 51 PRO HB3 . 17405 1 375 . 1 1 33 33 PRO HG2 H 1 1.972 0.009 . 1 . . . . 51 PRO HG2 . 17405 1 376 . 1 1 33 33 PRO HG3 H 1 1.972 0.009 . 1 . . . . 51 PRO HG3 . 17405 1 377 . 1 1 33 33 PRO HD2 H 1 3.691 0.015 . 2 . . . . 51 PRO HD2 . 17405 1 378 . 1 1 33 33 PRO HD3 H 1 3.582 0.007 . 2 . . . . 51 PRO HD3 . 17405 1 379 . 1 1 33 33 PRO CA C 13 62.580 0.038 . 1 . . . . 51 PRO CA . 17405 1 380 . 1 1 33 33 PRO CB C 13 32.763 0.187 . 1 . . . . 51 PRO CB . 17405 1 381 . 1 1 33 33 PRO CG C 13 25.263 0.066 . 1 . . . . 51 PRO CG . 17405 1 382 . 1 1 33 33 PRO CD C 13 50.222 0.077 . 1 . . . . 51 PRO CD . 17405 1 383 . 1 1 34 34 PRO HA H 1 4.317 0.011 . 1 . . . . 52 PRO HA . 17405 1 384 . 1 1 34 34 PRO HB2 H 1 2.142 0.010 . 2 . . . . 52 PRO HB2 . 17405 1 385 . 1 1 34 34 PRO HB3 H 1 1.572 0.009 . 2 . . . . 52 PRO HB3 . 17405 1 386 . 1 1 34 34 PRO HG2 H 1 2.003 0.011 . 1 . . . . 52 PRO HG2 . 17405 1 387 . 1 1 34 34 PRO HG3 H 1 2.003 0.011 . 1 . . . . 52 PRO HG3 . 17405 1 388 . 1 1 34 34 PRO HD2 H 1 3.897 0.009 . 2 . . . . 52 PRO HD2 . 17405 1 389 . 1 1 34 34 PRO HD3 H 1 3.579 0.009 . 2 . . . . 52 PRO HD3 . 17405 1 390 . 1 1 34 34 PRO C C 13 177.403 0.000 . 1 . . . . 52 PRO C . 17405 1 391 . 1 1 34 34 PRO CA C 13 62.937 0.144 . 1 . . . . 52 PRO CA . 17405 1 392 . 1 1 34 34 PRO CB C 13 32.171 0.078 . 1 . . . . 52 PRO CB . 17405 1 393 . 1 1 34 34 PRO CG C 13 27.584 0.160 . 1 . . . . 52 PRO CG . 17405 1 394 . 1 1 34 34 PRO CD C 13 50.260 0.057 . 1 . . . . 52 PRO CD . 17405 1 395 . 1 1 35 35 TRP H H 1 8.486 0.008 . 1 . . . . 53 TRP H . 17405 1 396 . 1 1 35 35 TRP HA H 1 5.043 0.016 . 1 . . . . 53 TRP HA . 17405 1 397 . 1 1 35 35 TRP HB2 H 1 3.090 0.008 . 2 . . . . 53 TRP HB2 . 17405 1 398 . 1 1 35 35 TRP HB3 H 1 3.067 0.008 . 2 . . . . 53 TRP HB3 . 17405 1 399 . 1 1 35 35 TRP HD1 H 1 7.144 0.016 . 1 . . . . 53 TRP HD1 . 17405 1 400 . 1 1 35 35 TRP HE1 H 1 10.057 0.011 . 1 . . . . 53 TRP HE1 . 17405 1 401 . 1 1 35 35 TRP HE3 H 1 7.113 0.006 . 1 . . . . 53 TRP HE3 . 17405 1 402 . 1 1 35 35 TRP HZ2 H 1 7.424 0.018 . 1 . . . . 53 TRP HZ2 . 17405 1 403 . 1 1 35 35 TRP HZ3 H 1 6.766 0.006 . 1 . . . . 53 TRP HZ3 . 17405 1 404 . 1 1 35 35 TRP HH2 H 1 7.111 0.008 . 1 . . . . 53 TRP HH2 . 17405 1 405 . 1 1 35 35 TRP C C 13 176.977 0.025 . 1 . . . . 53 TRP C . 17405 1 406 . 1 1 35 35 TRP CA C 13 55.620 0.130 . 1 . . . . 53 TRP CA . 17405 1 407 . 1 1 35 35 TRP CB C 13 30.846 0.070 . 1 . . . . 53 TRP CB . 17405 1 408 . 1 1 35 35 TRP CD1 C 13 124.722 0.137 . 1 . . . . 53 TRP CD1 . 17405 1 409 . 1 1 35 35 TRP CE3 C 13 119.650 0.131 . 1 . . . . 53 TRP CE3 . 17405 1 410 . 1 1 35 35 TRP CZ2 C 13 115.130 0.167 . 1 . . . . 53 TRP CZ2 . 17405 1 411 . 1 1 35 35 TRP CZ3 C 13 121.772 0.048 . 1 . . . . 53 TRP CZ3 . 17405 1 412 . 1 1 35 35 TRP CH2 C 13 124.562 0.101 . 1 . . . . 53 TRP CH2 . 17405 1 413 . 1 1 35 35 TRP N N 15 123.172 0.090 . 1 . . . . 53 TRP N . 17405 1 414 . 1 1 35 35 TRP NE1 N 15 128.664 0.032 . 1 . . . . 53 TRP NE1 . 17405 1 415 . 1 1 36 36 THR H H 1 9.040 0.009 . 1 . . . . 54 THR H . 17405 1 416 . 1 1 36 36 THR HA H 1 4.896 0.008 . 1 . . . . 54 THR HA . 17405 1 417 . 1 1 36 36 THR HB H 1 4.465 0.013 . 1 . . . . 54 THR HB . 17405 1 418 . 1 1 36 36 THR HG21 H 1 1.198 0.009 . 1 . . . . 54 THR QG2 . 17405 1 419 . 1 1 36 36 THR HG22 H 1 1.198 0.009 . 1 . . . . 54 THR QG2 . 17405 1 420 . 1 1 36 36 THR HG23 H 1 1.198 0.009 . 1 . . . . 54 THR QG2 . 17405 1 421 . 1 1 36 36 THR C C 13 172.779 0.000 . 1 . . . . 54 THR C . 17405 1 422 . 1 1 36 36 THR CA C 13 57.127 0.098 . 1 . . . . 54 THR CA . 17405 1 423 . 1 1 36 36 THR CB C 13 69.447 0.113 . 1 . . . . 54 THR CB . 17405 1 424 . 1 1 36 36 THR CG2 C 13 20.633 0.166 . 1 . . . . 54 THR CG2 . 17405 1 425 . 1 1 36 36 THR N N 15 112.037 0.099 . 1 . . . . 54 THR N . 17405 1 426 . 1 1 37 37 PRO HA H 1 4.598 0.021 . 1 . . . . 55 PRO HA . 17405 1 427 . 1 1 37 37 PRO HB2 H 1 1.998 0.010 . 2 . . . . 55 PRO HB2 . 17405 1 428 . 1 1 37 37 PRO HB3 H 1 1.927 0.014 . 2 . . . . 55 PRO HB3 . 17405 1 429 . 1 1 37 37 PRO HG2 H 1 1.252 0.014 . 2 . . . . 55 PRO HG2 . 17405 1 430 . 1 1 37 37 PRO HG3 H 1 1.115 0.016 . 2 . . . . 55 PRO HG3 . 17405 1 431 . 1 1 37 37 PRO HD2 H 1 3.144 0.007 . 2 . . . . 55 PRO HD2 . 17405 1 432 . 1 1 37 37 PRO HD3 H 1 3.296 0.018 . 2 . . . . 55 PRO HD3 . 17405 1 433 . 1 1 37 37 PRO C C 13 175.596 0.002 . 1 . . . . 55 PRO C . 17405 1 434 . 1 1 37 37 PRO CA C 13 62.828 0.185 . 1 . . . . 55 PRO CA . 17405 1 435 . 1 1 37 37 PRO CB C 13 32.139 0.116 . 1 . . . . 55 PRO CB . 17405 1 436 . 1 1 37 37 PRO CG C 13 26.450 0.090 . 1 . . . . 55 PRO CG . 17405 1 437 . 1 1 37 37 PRO CD C 13 49.663 0.081 . 1 . . . . 55 PRO CD . 17405 1 438 . 1 1 38 38 GLY H H 1 8.873 0.008 . 1 . . . . 56 GLY H . 17405 1 439 . 1 1 38 38 GLY HA2 H 1 3.199 0.014 . 2 . . . . 56 GLY HA2 . 17405 1 440 . 1 1 38 38 GLY HA3 H 1 4.258 0.005 . 2 . . . . 56 GLY HA3 . 17405 1 441 . 1 1 38 38 GLY C C 13 174.845 0.024 . 1 . . . . 56 GLY C . 17405 1 442 . 1 1 38 38 GLY CA C 13 46.110 0.135 . 1 . . . . 56 GLY CA . 17405 1 443 . 1 1 38 38 GLY N N 15 106.544 0.076 . 1 . . . . 56 GLY N . 17405 1 444 . 1 1 39 39 SER H H 1 7.937 0.011 . 1 . . . . 57 SER H . 17405 1 445 . 1 1 39 39 SER HA H 1 4.726 0.011 . 1 . . . . 57 SER HA . 17405 1 446 . 1 1 39 39 SER HB2 H 1 4.516 0.018 . 2 . . . . 57 SER HB2 . 17405 1 447 . 1 1 39 39 SER HB3 H 1 4.048 0.016 . 2 . . . . 57 SER HB3 . 17405 1 448 . 1 1 39 39 SER HG H 1 5.119 0.006 . 1 . . . . 57 SER HG . 17405 1 449 . 1 1 39 39 SER C C 13 173.406 0.014 . 1 . . . . 57 SER C . 17405 1 450 . 1 1 39 39 SER CA C 13 58.426 0.150 . 1 . . . . 57 SER CA . 17405 1 451 . 1 1 39 39 SER CB C 13 65.522 0.085 . 1 . . . . 57 SER CB . 17405 1 452 . 1 1 39 39 SER N N 15 110.671 0.092 . 1 . . . . 57 SER N . 17405 1 453 . 1 1 40 40 VAL H H 1 8.117 0.018 . 1 . . . . 58 VAL H . 17405 1 454 . 1 1 40 40 VAL HA H 1 5.378 0.006 . 1 . . . . 58 VAL HA . 17405 1 455 . 1 1 40 40 VAL HB H 1 1.694 0.009 . 1 . . . . 58 VAL HB . 17405 1 456 . 1 1 40 40 VAL HG11 H 1 0.649 0.012 . 1 . . . . 58 VAL QG1 . 17405 1 457 . 1 1 40 40 VAL HG12 H 1 0.649 0.012 . 1 . . . . 58 VAL QG1 . 17405 1 458 . 1 1 40 40 VAL HG13 H 1 0.649 0.012 . 1 . . . . 58 VAL QG1 . 17405 1 459 . 1 1 40 40 VAL HG21 H 1 0.451 0.009 . 1 . . . . 58 VAL QG2 . 17405 1 460 . 1 1 40 40 VAL HG22 H 1 0.451 0.009 . 1 . . . . 58 VAL QG2 . 17405 1 461 . 1 1 40 40 VAL HG23 H 1 0.451 0.009 . 1 . . . . 58 VAL QG2 . 17405 1 462 . 1 1 40 40 VAL C C 13 174.558 0.015 . 1 . . . . 58 VAL C . 17405 1 463 . 1 1 40 40 VAL CA C 13 60.142 0.087 . 1 . . . . 58 VAL CA . 17405 1 464 . 1 1 40 40 VAL CB C 13 36.550 0.139 . 1 . . . . 58 VAL CB . 17405 1 465 . 1 1 40 40 VAL CG1 C 13 22.319 0.054 . 1 . . . . 58 VAL CG1 . 17405 1 466 . 1 1 40 40 VAL CG2 C 13 21.569 0.134 . 1 . . . . 58 VAL CG2 . 17405 1 467 . 1 1 40 40 VAL N N 15 118.184 0.032 . 1 . . . . 58 VAL N . 17405 1 468 . 1 1 41 41 CYS H H 1 9.394 0.014 . 1 . . . . 59 CYS H . 17405 1 469 . 1 1 41 41 CYS HA H 1 5.549 0.008 . 1 . . . . 59 CYS HA . 17405 1 470 . 1 1 41 41 CYS HB2 H 1 3.137 0.011 . 2 . . . . 59 CYS HB2 . 17405 1 471 . 1 1 41 41 CYS HB3 H 1 2.968 0.011 . 2 . . . . 59 CYS HB3 . 17405 1 472 . 1 1 41 41 CYS C C 13 171.948 0.002 . 1 . . . . 59 CYS C . 17405 1 473 . 1 1 41 41 CYS CA C 13 56.187 0.131 . 1 . . . . 59 CYS CA . 17405 1 474 . 1 1 41 41 CYS CB C 13 50.093 0.073 . 1 . . . . 59 CYS CB . 17405 1 475 . 1 1 41 41 CYS N N 15 121.149 0.128 . 1 . . . . 59 CYS N . 17405 1 476 . 1 1 42 42 VAL H H 1 8.432 0.011 . 1 . . . . 60 VAL H . 17405 1 477 . 1 1 42 42 VAL HA H 1 4.609 0.007 . 1 . . . . 60 VAL HA . 17405 1 478 . 1 1 42 42 VAL HB H 1 2.243 0.012 . 1 . . . . 60 VAL HB . 17405 1 479 . 1 1 42 42 VAL HG11 H 1 1.113 0.010 . 1 . . . . 60 VAL QG1 . 17405 1 480 . 1 1 42 42 VAL HG12 H 1 1.113 0.010 . 1 . . . . 60 VAL QG1 . 17405 1 481 . 1 1 42 42 VAL HG13 H 1 1.113 0.010 . 1 . . . . 60 VAL QG1 . 17405 1 482 . 1 1 42 42 VAL HG21 H 1 0.654 0.014 . 1 . . . . 60 VAL QG2 . 17405 1 483 . 1 1 42 42 VAL HG22 H 1 0.654 0.014 . 1 . . . . 60 VAL QG2 . 17405 1 484 . 1 1 42 42 VAL HG23 H 1 0.654 0.014 . 1 . . . . 60 VAL QG2 . 17405 1 485 . 1 1 42 42 VAL C C 13 175.208 0.000 . 1 . . . . 60 VAL C . 17405 1 486 . 1 1 42 42 VAL CA C 13 59.037 0.075 . 1 . . . . 60 VAL CA . 17405 1 487 . 1 1 42 42 VAL CB C 13 33.824 0.107 . 1 . . . . 60 VAL CB . 17405 1 488 . 1 1 42 42 VAL CG1 C 13 21.353 0.056 . 1 . . . . 60 VAL CG1 . 17405 1 489 . 1 1 42 42 VAL CG2 C 13 23.269 0.150 . 1 . . . . 60 VAL CG2 . 17405 1 490 . 1 1 42 42 VAL N N 15 120.837 0.095 . 1 . . . . 60 VAL N . 17405 1 491 . 1 1 43 43 PRO HA H 1 4.393 0.003 . 1 . . . . 61 PRO HA . 17405 1 492 . 1 1 43 43 PRO HB2 H 1 2.344 0.015 . 2 . . . . 61 PRO HB2 . 17405 1 493 . 1 1 43 43 PRO HB3 H 1 1.900 0.010 . 2 . . . . 61 PRO HB3 . 17405 1 494 . 1 1 43 43 PRO HG2 H 1 2.023 0.014 . 2 . . . . 61 PRO HG2 . 17405 1 495 . 1 1 43 43 PRO HG3 H 1 1.737 0.011 . 2 . . . . 61 PRO HG3 . 17405 1 496 . 1 1 43 43 PRO HD2 H 1 3.866 0.011 . 2 . . . . 61 PRO HD2 . 17405 1 497 . 1 1 43 43 PRO HD3 H 1 3.649 0.009 . 2 . . . . 61 PRO HD3 . 17405 1 498 . 1 1 43 43 PRO C C 13 176.161 0.099 . 1 . . . . 61 PRO C . 17405 1 499 . 1 1 43 43 PRO CA C 13 63.377 0.082 . 1 . . . . 61 PRO CA . 17405 1 500 . 1 1 43 43 PRO CB C 13 32.770 0.171 . 1 . . . . 61 PRO CB . 17405 1 501 . 1 1 43 43 PRO CG C 13 27.793 0.134 . 1 . . . . 61 PRO CG . 17405 1 502 . 1 1 43 43 PRO CD C 13 52.587 0.113 . 1 . . . . 61 PRO CD . 17405 1 503 . 1 1 44 44 PHE H H 1 8.588 0.019 . 1 . . . . 62 PHE H . 17405 1 504 . 1 1 44 44 PHE HA H 1 4.594 0.007 . 1 . . . . 62 PHE HA . 17405 1 505 . 1 1 44 44 PHE HB2 H 1 3.094 0.008 . 2 . . . . 62 PHE HB2 . 17405 1 506 . 1 1 44 44 PHE HB3 H 1 2.935 0.016 . 2 . . . . 62 PHE HB3 . 17405 1 507 . 1 1 44 44 PHE HD1 H 1 7.095 0.019 . 1 . . . . 62 PHE HD1 . 17405 1 508 . 1 1 44 44 PHE HD2 H 1 7.095 0.019 . 1 . . . . 62 PHE HD2 . 17405 1 509 . 1 1 44 44 PHE HE1 H 1 7.352 0.015 . 1 . . . . 62 PHE HE1 . 17405 1 510 . 1 1 44 44 PHE HE2 H 1 7.352 0.015 . 1 . . . . 62 PHE HE2 . 17405 1 511 . 1 1 44 44 PHE HZ H 1 7.376 0.015 . 1 . . . . 62 PHE HZ . 17405 1 512 . 1 1 44 44 PHE C C 13 175.929 0.000 . 1 . . . . 62 PHE C . 17405 1 513 . 1 1 44 44 PHE CA C 13 58.310 0.220 . 1 . . . . 62 PHE CA . 17405 1 514 . 1 1 44 44 PHE CB C 13 40.330 0.133 . 1 . . . . 62 PHE CB . 17405 1 515 . 1 1 44 44 PHE CD1 C 13 132.202 0.069 . 1 . . . . 62 PHE CD1 . 17405 1 516 . 1 1 44 44 PHE CD2 C 13 132.202 0.069 . 1 . . . . 62 PHE CD2 . 17405 1 517 . 1 1 44 44 PHE CE1 C 13 131.819 0.052 . 1 . . . . 62 PHE CE1 . 17405 1 518 . 1 1 44 44 PHE CE2 C 13 131.819 0.052 . 1 . . . . 62 PHE CE2 . 17405 1 519 . 1 1 44 44 PHE CZ C 13 130.111 0.150 . 1 . . . . 62 PHE CZ . 17405 1 520 . 1 1 44 44 PHE N N 15 122.126 0.125 . 1 . . . . 62 PHE N . 17405 1 521 . 1 1 45 45 VAL H H 1 10.599 0.013 . 1 . . . . 63 VAL H . 17405 1 522 . 1 1 45 45 VAL HA H 1 4.117 0.019 . 1 . . . . 63 VAL HA . 17405 1 523 . 1 1 45 45 VAL HB H 1 1.630 0.010 . 1 . . . . 63 VAL HB . 17405 1 524 . 1 1 45 45 VAL HG11 H 1 0.875 0.014 . 1 . . . . 63 VAL QG1 . 17405 1 525 . 1 1 45 45 VAL HG12 H 1 0.875 0.014 . 1 . . . . 63 VAL QG1 . 17405 1 526 . 1 1 45 45 VAL HG13 H 1 0.875 0.014 . 1 . . . . 63 VAL QG1 . 17405 1 527 . 1 1 45 45 VAL HG21 H 1 0.901 0.009 . 1 . . . . 63 VAL QG2 . 17405 1 528 . 1 1 45 45 VAL HG22 H 1 0.901 0.009 . 1 . . . . 63 VAL QG2 . 17405 1 529 . 1 1 45 45 VAL HG23 H 1 0.901 0.009 . 1 . . . . 63 VAL QG2 . 17405 1 530 . 1 1 45 45 VAL C C 13 172.746 0.000 . 1 . . . . 63 VAL C . 17405 1 531 . 1 1 45 45 VAL CA C 13 61.906 0.155 . 1 . . . . 63 VAL CA . 17405 1 532 . 1 1 45 45 VAL CB C 13 33.280 0.055 . 1 . . . . 63 VAL CB . 17405 1 533 . 1 1 45 45 VAL CG1 C 13 22.213 0.102 . 1 . . . . 63 VAL CG1 . 17405 1 534 . 1 1 45 45 VAL CG2 C 13 21.654 0.076 . 1 . . . . 63 VAL CG2 . 17405 1 535 . 1 1 45 45 VAL N N 15 132.390 0.173 . 1 . . . . 63 VAL N . 17405 1 536 . 1 1 46 46 ASN H H 1 7.713 0.020 . 1 . . . . 64 ASN H . 17405 1 537 . 1 1 46 46 ASN HA H 1 4.611 0.012 . 1 . . . . 64 ASN HA . 17405 1 538 . 1 1 46 46 ASN HB2 H 1 2.834 0.008 . 2 . . . . 64 ASN HB2 . 17405 1 539 . 1 1 46 46 ASN HB3 H 1 2.919 0.015 . 2 . . . . 64 ASN HB3 . 17405 1 540 . 1 1 46 46 ASN HD21 H 1 7.741 0.013 . 2 . . . . 64 ASN HD21 . 17405 1 541 . 1 1 46 46 ASN HD22 H 1 7.023 0.006 . 2 . . . . 64 ASN HD22 . 17405 1 542 . 1 1 46 46 ASN C C 13 174.687 0.000 . 1 . . . . 64 ASN C . 17405 1 543 . 1 1 46 46 ASN CA C 13 53.032 0.006 . 1 . . . . 64 ASN CA . 17405 1 544 . 1 1 46 46 ASN CB C 13 39.263 0.075 . 1 . . . . 64 ASN CB . 17405 1 545 . 1 1 46 46 ASN N N 15 126.445 0.040 . 1 . . . . 64 ASN N . 17405 1 546 . 1 1 46 46 ASN ND2 N 15 112.796 0.063 . 1 . . . . 64 ASN ND2 . 17405 1 547 . 1 1 47 47 ASP H H 1 7.571 0.008 . 1 . . . . 65 ASP H . 17405 1 548 . 1 1 47 47 ASP HA H 1 4.663 0.008 . 1 . . . . 65 ASP HA . 17405 1 549 . 1 1 47 47 ASP HB2 H 1 2.615 0.001 . 2 . . . . 65 ASP HB2 . 17405 1 550 . 1 1 47 47 ASP HB3 H 1 2.714 0.016 . 2 . . . . 65 ASP HB3 . 17405 1 551 . 1 1 47 47 ASP C C 13 174.687 0.000 . 1 . . . . 65 ASP C . 17405 1 552 . 1 1 47 47 ASP CA C 13 54.047 0.025 . 1 . . . . 65 ASP CA . 17405 1 553 . 1 1 47 47 ASP CB C 13 41.127 0.015 . 1 . . . . 65 ASP CB . 17405 1 554 . 1 1 47 47 ASP N N 15 119.579 0.030 . 1 . . . . 65 ASP N . 17405 1 555 . 1 1 48 48 THR HA H 1 4.292 0.008 . 1 . . . . 66 THR HA . 17405 1 556 . 1 1 48 48 THR HB H 1 4.428 0.009 . 1 . . . . 66 THR HB . 17405 1 557 . 1 1 48 48 THR HG21 H 1 1.245 0.007 . 1 . . . . 66 THR QG2 . 17405 1 558 . 1 1 48 48 THR HG22 H 1 1.245 0.007 . 1 . . . . 66 THR QG2 . 17405 1 559 . 1 1 48 48 THR HG23 H 1 1.245 0.007 . 1 . . . . 66 THR QG2 . 17405 1 560 . 1 1 48 48 THR C C 13 175.515 0.000 . 1 . . . . 66 THR C . 17405 1 561 . 1 1 48 48 THR CA C 13 62.527 0.150 . 1 . . . . 66 THR CA . 17405 1 562 . 1 1 48 48 THR CB C 13 69.031 0.150 . 1 . . . . 66 THR CB . 17405 1 563 . 1 1 48 48 THR CG2 C 13 21.778 0.029 . 1 . . . . 66 THR CG2 . 17405 1 564 . 1 1 49 49 LYS H H 1 8.235 0.014 . 1 . . . . 67 LYS H . 17405 1 565 . 1 1 49 49 LYS HA H 1 4.188 0.019 . 1 . . . . 67 LYS HA . 17405 1 566 . 1 1 49 49 LYS HB2 H 1 1.753 0.009 . 1 . . . . 67 LYS HB2 . 17405 1 567 . 1 1 49 49 LYS HB3 H 1 1.753 0.009 . 1 . . . . 67 LYS HB3 . 17405 1 568 . 1 1 49 49 LYS HG2 H 1 1.329 0.014 . 2 . . . . 67 LYS HG2 . 17405 1 569 . 1 1 49 49 LYS HG3 H 1 1.249 0.022 . 2 . . . . 67 LYS HG3 . 17405 1 570 . 1 1 49 49 LYS HD2 H 1 1.637 0.022 . 1 . . . . 67 LYS HD2 . 17405 1 571 . 1 1 49 49 LYS HD3 H 1 1.637 0.022 . 1 . . . . 67 LYS HD3 . 17405 1 572 . 1 1 49 49 LYS HE2 H 1 2.950 0.009 . 1 . . . . 67 LYS HE2 . 17405 1 573 . 1 1 49 49 LYS HE3 H 1 2.950 0.009 . 1 . . . . 67 LYS HE3 . 17405 1 574 . 1 1 49 49 LYS C C 13 176.677 0.000 . 1 . . . . 67 LYS C . 17405 1 575 . 1 1 49 49 LYS CA C 13 56.612 0.150 . 1 . . . . 67 LYS CA . 17405 1 576 . 1 1 49 49 LYS CB C 13 32.863 0.108 . 1 . . . . 67 LYS CB . 17405 1 577 . 1 1 49 49 LYS CG C 13 25.122 0.020 . 1 . . . . 67 LYS CG . 17405 1 578 . 1 1 49 49 LYS CD C 13 28.923 0.150 . 1 . . . . 67 LYS CD . 17405 1 579 . 1 1 49 49 LYS CE C 13 42.164 0.052 . 1 . . . . 67 LYS CE . 17405 1 580 . 1 1 49 49 LYS N N 15 121.863 0.027 . 1 . . . . 67 LYS N . 17405 1 581 . 1 1 50 50 ARG H H 1 8.009 0.015 . 1 . . . . 68 ARG H . 17405 1 582 . 1 1 50 50 ARG HA H 1 4.260 0.007 . 1 . . . . 68 ARG HA . 17405 1 583 . 1 1 50 50 ARG HB2 H 1 1.849 0.007 . 2 . . . . 68 ARG HB2 . 17405 1 584 . 1 1 50 50 ARG HB3 H 1 1.750 0.005 . 2 . . . . 68 ARG HB3 . 17405 1 585 . 1 1 50 50 ARG HG2 H 1 1.655 0.016 . 2 . . . . 68 ARG HG2 . 17405 1 586 . 1 1 50 50 ARG HG3 H 1 1.594 0.008 . 2 . . . . 68 ARG HG3 . 17405 1 587 . 1 1 50 50 ARG HD2 H 1 3.123 0.013 . 1 . . . . 68 ARG HD2 . 17405 1 588 . 1 1 50 50 ARG HD3 H 1 3.123 0.013 . 1 . . . . 68 ARG HD3 . 17405 1 589 . 1 1 50 50 ARG C C 13 175.807 0.000 . 1 . . . . 68 ARG C . 17405 1 590 . 1 1 50 50 ARG CA C 13 56.214 0.111 . 1 . . . . 68 ARG CA . 17405 1 591 . 1 1 50 50 ARG CB C 13 31.300 0.107 . 1 . . . . 68 ARG CB . 17405 1 592 . 1 1 50 50 ARG CG C 13 27.203 0.076 . 1 . . . . 68 ARG CG . 17405 1 593 . 1 1 50 50 ARG CD C 13 43.210 0.229 . 1 . . . . 68 ARG CD . 17405 1 594 . 1 1 50 50 ARG N N 15 118.576 0.065 . 1 . . . . 68 ARG N . 17405 1 595 . 1 1 51 51 GLU H H 1 8.120 0.004 . 1 . . . . 69 GLU H . 17405 1 596 . 1 1 51 51 GLU HA H 1 4.381 0.003 . 1 . . . . 69 GLU HA . 17405 1 597 . 1 1 51 51 GLU HB2 H 1 1.849 0.008 . 1 . . . . 69 GLU HB2 . 17405 1 598 . 1 1 51 51 GLU HB3 H 1 1.849 0.008 . 1 . . . . 69 GLU HB3 . 17405 1 599 . 1 1 51 51 GLU HG2 H 1 2.126 0.010 . 1 . . . . 69 GLU HG2 . 17405 1 600 . 1 1 51 51 GLU HG3 H 1 2.126 0.010 . 1 . . . . 69 GLU HG3 . 17405 1 601 . 1 1 51 51 GLU C C 13 175.652 0.023 . 1 . . . . 69 GLU C . 17405 1 602 . 1 1 51 51 GLU CA C 13 56.141 0.075 . 1 . . . . 69 GLU CA . 17405 1 603 . 1 1 51 51 GLU CB C 13 30.366 0.116 . 1 . . . . 69 GLU CB . 17405 1 604 . 1 1 51 51 GLU CG C 13 36.189 0.105 . 1 . . . . 69 GLU CG . 17405 1 605 . 1 1 51 51 GLU N N 15 118.815 0.045 . 1 . . . . 69 GLU N . 17405 1 606 . 1 1 52 52 ARG H H 1 8.539 0.010 . 1 . . . . 70 ARG H . 17405 1 607 . 1 1 52 52 ARG HA H 1 4.607 0.005 . 1 . . . . 70 ARG HA . 17405 1 608 . 1 1 52 52 ARG HB2 H 1 1.812 0.015 . 2 . . . . 70 ARG HB2 . 17405 1 609 . 1 1 52 52 ARG HB3 H 1 1.735 0.000 . 2 . . . . 70 ARG HB3 . 17405 1 610 . 1 1 52 52 ARG HG2 H 1 1.429 0.015 . 2 . . . . 70 ARG HG2 . 17405 1 611 . 1 1 52 52 ARG HG3 H 1 1.226 0.010 . 2 . . . . 70 ARG HG3 . 17405 1 612 . 1 1 52 52 ARG HD2 H 1 2.812 0.001 . 2 . . . . 70 ARG HD2 . 17405 1 613 . 1 1 52 52 ARG HD3 H 1 2.550 0.004 . 2 . . . . 70 ARG HD3 . 17405 1 614 . 1 1 52 52 ARG C C 13 172.924 0.000 . 1 . . . . 70 ARG C . 17405 1 615 . 1 1 52 52 ARG CA C 13 53.433 0.145 . 1 . . . . 70 ARG CA . 17405 1 616 . 1 1 52 52 ARG CB C 13 31.159 0.150 . 1 . . . . 70 ARG CB . 17405 1 617 . 1 1 52 52 ARG CG C 13 27.496 0.150 . 1 . . . . 70 ARG CG . 17405 1 618 . 1 1 52 52 ARG CD C 13 43.206 0.007 . 1 . . . . 70 ARG CD . 17405 1 619 . 1 1 52 52 ARG N N 15 122.767 0.135 . 1 . . . . 70 ARG N . 17405 1 620 . 1 1 53 53 PRO HA H 1 4.579 0.011 . 1 . . . . 71 PRO HA . 17405 1 621 . 1 1 53 53 PRO HB2 H 1 2.244 0.012 . 2 . . . . 71 PRO HB2 . 17405 1 622 . 1 1 53 53 PRO HB3 H 1 1.859 0.001 . 2 . . . . 71 PRO HB3 . 17405 1 623 . 1 1 53 53 PRO HG2 H 1 2.308 0.016 . 2 . . . . 71 PRO HG2 . 17405 1 624 . 1 1 53 53 PRO HG3 H 1 2.192 0.008 . 2 . . . . 71 PRO HG3 . 17405 1 625 . 1 1 53 53 PRO HD2 H 1 3.905 0.019 . 2 . . . . 71 PRO HD2 . 17405 1 626 . 1 1 53 53 PRO HD3 H 1 3.513 0.009 . 2 . . . . 71 PRO HD3 . 17405 1 627 . 1 1 53 53 PRO C C 13 174.435 0.015 . 1 . . . . 71 PRO C . 17405 1 628 . 1 1 53 53 PRO CA C 13 63.019 0.012 . 1 . . . . 71 PRO CA . 17405 1 629 . 1 1 53 53 PRO CB C 13 33.517 0.101 . 1 . . . . 71 PRO CB . 17405 1 630 . 1 1 53 53 PRO CG C 13 27.865 0.058 . 1 . . . . 71 PRO CG . 17405 1 631 . 1 1 53 53 PRO CD C 13 50.435 0.117 . 1 . . . . 71 PRO CD . 17405 1 632 . 1 1 54 54 TYR H H 1 7.334 0.013 . 1 . . . . 72 TYR H . 17405 1 633 . 1 1 54 54 TYR HA H 1 4.432 0.009 . 1 . . . . 72 TYR HA . 17405 1 634 . 1 1 54 54 TYR HB2 H 1 2.404 0.010 . 2 . . . . 72 TYR HB2 . 17405 1 635 . 1 1 54 54 TYR HB3 H 1 2.189 0.006 . 2 . . . . 72 TYR HB3 . 17405 1 636 . 1 1 54 54 TYR HD1 H 1 6.356 0.011 . 1 . . . . 72 TYR HD1 . 17405 1 637 . 1 1 54 54 TYR HD2 H 1 6.356 0.011 . 1 . . . . 72 TYR HD2 . 17405 1 638 . 1 1 54 54 TYR HE1 H 1 6.062 0.018 . 1 . . . . 72 TYR HE1 . 17405 1 639 . 1 1 54 54 TYR HE2 H 1 6.062 0.018 . 1 . . . . 72 TYR HE2 . 17405 1 640 . 1 1 54 54 TYR C C 13 172.825 0.012 . 1 . . . . 72 TYR C . 17405 1 641 . 1 1 54 54 TYR CA C 13 58.560 0.074 . 1 . . . . 72 TYR CA . 17405 1 642 . 1 1 54 54 TYR CB C 13 43.090 0.080 . 1 . . . . 72 TYR CB . 17405 1 643 . 1 1 54 54 TYR CD1 C 13 133.030 0.115 . 1 . . . . 72 TYR CD1 . 17405 1 644 . 1 1 54 54 TYR CD2 C 13 133.030 0.115 . 1 . . . . 72 TYR CD2 . 17405 1 645 . 1 1 54 54 TYR CE1 C 13 117.463 0.191 . 1 . . . . 72 TYR CE1 . 17405 1 646 . 1 1 54 54 TYR CE2 C 13 117.463 0.191 . 1 . . . . 72 TYR CE2 . 17405 1 647 . 1 1 54 54 TYR N N 15 122.146 0.035 . 1 . . . . 72 TYR N . 17405 1 648 . 1 1 55 55 TRP H H 1 8.107 0.016 . 1 . . . . 73 TRP H . 17405 1 649 . 1 1 55 55 TRP HA H 1 5.209 0.011 . 1 . . . . 73 TRP HA . 17405 1 650 . 1 1 55 55 TRP HB2 H 1 2.842 0.007 . 2 . . . . 73 TRP HB2 . 17405 1 651 . 1 1 55 55 TRP HB3 H 1 2.547 0.019 . 2 . . . . 73 TRP HB3 . 17405 1 652 . 1 1 55 55 TRP HD1 H 1 6.747 0.008 . 1 . . . . 73 TRP HD1 . 17405 1 653 . 1 1 55 55 TRP HE1 H 1 10.021 0.019 . 1 . . . . 73 TRP HE1 . 17405 1 654 . 1 1 55 55 TRP HE3 H 1 7.267 0.025 . 1 . . . . 73 TRP HE3 . 17405 1 655 . 1 1 55 55 TRP HZ2 H 1 7.381 0.016 . 1 . . . . 73 TRP HZ2 . 17405 1 656 . 1 1 55 55 TRP HZ3 H 1 6.648 0.014 . 1 . . . . 73 TRP HZ3 . 17405 1 657 . 1 1 55 55 TRP HH2 H 1 6.663 0.003 . 1 . . . . 73 TRP HH2 . 17405 1 658 . 1 1 55 55 TRP C C 13 173.817 0.016 . 1 . . . . 73 TRP C . 17405 1 659 . 1 1 55 55 TRP CA C 13 55.671 0.173 . 1 . . . . 73 TRP CA . 17405 1 660 . 1 1 55 55 TRP CB C 13 32.293 0.128 . 1 . . . . 73 TRP CB . 17405 1 661 . 1 1 55 55 TRP CD1 C 13 126.703 0.117 . 1 . . . . 73 TRP CD1 . 17405 1 662 . 1 1 55 55 TRP CE3 C 13 120.190 0.079 . 1 . . . . 73 TRP CE3 . 17405 1 663 . 1 1 55 55 TRP CZ2 C 13 114.420 0.259 . 1 . . . . 73 TRP CZ2 . 17405 1 664 . 1 1 55 55 TRP CZ3 C 13 121.540 0.074 . 1 . . . . 73 TRP CZ3 . 17405 1 665 . 1 1 55 55 TRP CH2 C 13 124.503 0.145 . 1 . . . . 73 TRP CH2 . 17405 1 666 . 1 1 55 55 TRP N N 15 127.923 0.068 . 1 . . . . 73 TRP N . 17405 1 667 . 1 1 55 55 TRP NE1 N 15 127.853 0.148 . 1 . . . . 73 TRP NE1 . 17405 1 668 . 1 1 56 56 TYR H H 1 9.342 0.012 . 1 . . . . 74 TYR H . 17405 1 669 . 1 1 56 56 TYR HA H 1 5.493 0.006 . 1 . . . . 74 TYR HA . 17405 1 670 . 1 1 56 56 TYR HB2 H 1 2.819 0.014 . 2 . . . . 74 TYR HB2 . 17405 1 671 . 1 1 56 56 TYR HB3 H 1 2.588 0.015 . 2 . . . . 74 TYR HB3 . 17405 1 672 . 1 1 56 56 TYR HD1 H 1 7.119 0.011 . 1 . . . . 74 TYR HD1 . 17405 1 673 . 1 1 56 56 TYR HD2 H 1 7.119 0.011 . 1 . . . . 74 TYR HD2 . 17405 1 674 . 1 1 56 56 TYR HE1 H 1 6.790 0.012 . 1 . . . . 74 TYR HE1 . 17405 1 675 . 1 1 56 56 TYR HE2 H 1 6.790 0.012 . 1 . . . . 74 TYR HE2 . 17405 1 676 . 1 1 56 56 TYR C C 13 174.596 0.028 . 1 . . . . 74 TYR C . 17405 1 677 . 1 1 56 56 TYR CA C 13 56.911 0.111 . 1 . . . . 74 TYR CA . 17405 1 678 . 1 1 56 56 TYR CB C 13 43.218 0.071 . 1 . . . . 74 TYR CB . 17405 1 679 . 1 1 56 56 TYR CD1 C 13 133.314 0.151 . 1 . . . . 74 TYR CD1 . 17405 1 680 . 1 1 56 56 TYR CD2 C 13 133.314 0.151 . 1 . . . . 74 TYR CD2 . 17405 1 681 . 1 1 56 56 TYR CE1 C 13 118.429 0.152 . 1 . . . . 74 TYR CE1 . 17405 1 682 . 1 1 56 56 TYR CE2 C 13 118.429 0.152 . 1 . . . . 74 TYR CE2 . 17405 1 683 . 1 1 56 56 TYR N N 15 118.016 0.048 . 1 . . . . 74 TYR N . 17405 1 684 . 1 1 57 57 LEU H H 1 9.091 0.013 . 1 . . . . 75 LEU H . 17405 1 685 . 1 1 57 57 LEU HA H 1 5.051 0.016 . 1 . . . . 75 LEU HA . 17405 1 686 . 1 1 57 57 LEU HB2 H 1 1.760 0.001 . 2 . . . . 75 LEU HB2 . 17405 1 687 . 1 1 57 57 LEU HB3 H 1 1.469 0.010 . 2 . . . . 75 LEU HB3 . 17405 1 688 . 1 1 57 57 LEU HG H 1 1.641 0.007 . 1 . . . . 75 LEU HG . 17405 1 689 . 1 1 57 57 LEU HD11 H 1 0.617 0.008 . 1 . . . . 75 LEU QD1 . 17405 1 690 . 1 1 57 57 LEU HD12 H 1 0.617 0.008 . 1 . . . . 75 LEU QD1 . 17405 1 691 . 1 1 57 57 LEU HD13 H 1 0.617 0.008 . 1 . . . . 75 LEU QD1 . 17405 1 692 . 1 1 57 57 LEU HD21 H 1 0.772 0.007 . 1 . . . . 75 LEU QD2 . 17405 1 693 . 1 1 57 57 LEU HD22 H 1 0.772 0.007 . 1 . . . . 75 LEU QD2 . 17405 1 694 . 1 1 57 57 LEU HD23 H 1 0.772 0.007 . 1 . . . . 75 LEU QD2 . 17405 1 695 . 1 1 57 57 LEU C C 13 174.774 0.034 . 1 . . . . 75 LEU C . 17405 1 696 . 1 1 57 57 LEU CA C 13 53.290 0.041 . 1 . . . . 75 LEU CA . 17405 1 697 . 1 1 57 57 LEU CB C 13 43.584 0.164 . 1 . . . . 75 LEU CB . 17405 1 698 . 1 1 57 57 LEU CG C 13 27.583 0.111 . 1 . . . . 75 LEU CG . 17405 1 699 . 1 1 57 57 LEU CD1 C 13 25.355 0.027 . 1 . . . . 75 LEU CD1 . 17405 1 700 . 1 1 57 57 LEU CD2 C 13 24.742 0.112 . 1 . . . . 75 LEU CD2 . 17405 1 701 . 1 1 57 57 LEU N N 15 120.874 0.086 . 1 . . . . 75 LEU N . 17405 1 702 . 1 1 58 58 PHE H H 1 8.538 0.005 . 1 . . . . 76 PHE H . 17405 1 703 . 1 1 58 58 PHE HA H 1 6.222 0.006 . 1 . . . . 76 PHE HA . 17405 1 704 . 1 1 58 58 PHE HB2 H 1 3.714 0.005 . 2 . . . . 76 PHE HB2 . 17405 1 705 . 1 1 58 58 PHE HB3 H 1 3.365 0.008 . 2 . . . . 76 PHE HB3 . 17405 1 706 . 1 1 58 58 PHE HD1 H 1 7.044 0.014 . 1 . . . . 76 PHE HD1 . 17405 1 707 . 1 1 58 58 PHE HD2 H 1 7.044 0.014 . 1 . . . . 76 PHE HD2 . 17405 1 708 . 1 1 58 58 PHE HE1 H 1 7.171 0.007 . 1 . . . . 76 PHE HE1 . 17405 1 709 . 1 1 58 58 PHE HE2 H 1 7.171 0.007 . 1 . . . . 76 PHE HE2 . 17405 1 710 . 1 1 58 58 PHE HZ H 1 6.927 0.009 . 1 . . . . 76 PHE HZ . 17405 1 711 . 1 1 58 58 PHE C C 13 178.416 0.002 . 1 . . . . 76 PHE C . 17405 1 712 . 1 1 58 58 PHE CA C 13 56.222 0.075 . 1 . . . . 76 PHE CA . 17405 1 713 . 1 1 58 58 PHE CB C 13 41.599 0.093 . 1 . . . . 76 PHE CB . 17405 1 714 . 1 1 58 58 PHE CD1 C 13 131.880 0.066 . 1 . . . . 76 PHE CD1 . 17405 1 715 . 1 1 58 58 PHE CD2 C 13 131.880 0.066 . 1 . . . . 76 PHE CD2 . 17405 1 716 . 1 1 58 58 PHE CE1 C 13 131.834 0.041 . 1 . . . . 76 PHE CE1 . 17405 1 717 . 1 1 58 58 PHE CE2 C 13 131.834 0.041 . 1 . . . . 76 PHE CE2 . 17405 1 718 . 1 1 58 58 PHE CZ C 13 128.017 0.088 . 1 . . . . 76 PHE CZ . 17405 1 719 . 1 1 58 58 PHE N N 15 117.270 0.086 . 1 . . . . 76 PHE N . 17405 1 720 . 1 1 59 59 ASP H H 1 8.553 0.023 . 1 . . . . 77 ASP H . 17405 1 721 . 1 1 59 59 ASP HA H 1 5.222 0.014 . 1 . . . . 77 ASP HA . 17405 1 722 . 1 1 59 59 ASP HB2 H 1 3.181 0.003 . 2 . . . . 77 ASP HB2 . 17405 1 723 . 1 1 59 59 ASP HB3 H 1 1.923 0.016 . 2 . . . . 77 ASP HB3 . 17405 1 724 . 1 1 59 59 ASP C C 13 175.937 0.005 . 1 . . . . 77 ASP C . 17405 1 725 . 1 1 59 59 ASP CA C 13 52.981 0.031 . 1 . . . . 77 ASP CA . 17405 1 726 . 1 1 59 59 ASP CB C 13 41.243 0.141 . 1 . . . . 77 ASP CB . 17405 1 727 . 1 1 59 59 ASP N N 15 120.405 0.083 . 1 . . . . 77 ASP N . 17405 1 728 . 1 1 60 60 ASN H H 1 8.064 0.009 . 1 . . . . 78 ASN H . 17405 1 729 . 1 1 60 60 ASN HA H 1 4.970 0.007 . 1 . . . . 78 ASN HA . 17405 1 730 . 1 1 60 60 ASN HB2 H 1 3.190 0.009 . 2 . . . . 78 ASN HB2 . 17405 1 731 . 1 1 60 60 ASN HB3 H 1 2.553 0.011 . 2 . . . . 78 ASN HB3 . 17405 1 732 . 1 1 60 60 ASN HD21 H 1 7.644 0.010 . 2 . . . . 78 ASN HD21 . 17405 1 733 . 1 1 60 60 ASN HD22 H 1 6.930 0.017 . 2 . . . . 78 ASN HD22 . 17405 1 734 . 1 1 60 60 ASN C C 13 174.357 0.023 . 1 . . . . 78 ASN C . 17405 1 735 . 1 1 60 60 ASN CA C 13 50.632 0.075 . 1 . . . . 78 ASN CA . 17405 1 736 . 1 1 60 60 ASN CB C 13 41.126 0.134 . 1 . . . . 78 ASN CB . 17405 1 737 . 1 1 60 60 ASN N N 15 119.678 0.103 . 1 . . . . 78 ASN N . 17405 1 738 . 1 1 60 60 ASN ND2 N 15 112.725 0.137 . 1 . . . . 78 ASN ND2 . 17405 1 739 . 1 1 61 61 VAL H H 1 8.682 0.020 . 1 . . . . 79 VAL H . 17405 1 740 . 1 1 61 61 VAL HA H 1 3.766 0.013 . 1 . . . . 79 VAL HA . 17405 1 741 . 1 1 61 61 VAL HB H 1 2.187 0.003 . 1 . . . . 79 VAL HB . 17405 1 742 . 1 1 61 61 VAL HG11 H 1 1.083 0.011 . 1 . . . . 79 VAL QG1 . 17405 1 743 . 1 1 61 61 VAL HG12 H 1 1.083 0.011 . 1 . . . . 79 VAL QG1 . 17405 1 744 . 1 1 61 61 VAL HG13 H 1 1.083 0.011 . 1 . . . . 79 VAL QG1 . 17405 1 745 . 1 1 61 61 VAL HG21 H 1 0.781 0.017 . 1 . . . . 79 VAL QG2 . 17405 1 746 . 1 1 61 61 VAL HG22 H 1 0.781 0.017 . 1 . . . . 79 VAL QG2 . 17405 1 747 . 1 1 61 61 VAL HG23 H 1 0.781 0.017 . 1 . . . . 79 VAL QG2 . 17405 1 748 . 1 1 61 61 VAL C C 13 175.272 0.024 . 1 . . . . 79 VAL C . 17405 1 749 . 1 1 61 61 VAL CA C 13 61.498 0.065 . 1 . . . . 79 VAL CA . 17405 1 750 . 1 1 61 61 VAL CB C 13 33.194 0.063 . 1 . . . . 79 VAL CB . 17405 1 751 . 1 1 61 61 VAL CG1 C 13 22.494 0.055 . 1 . . . . 79 VAL CG1 . 17405 1 752 . 1 1 61 61 VAL CG2 C 13 17.973 0.113 . 1 . . . . 79 VAL CG2 . 17405 1 753 . 1 1 61 61 VAL N N 15 113.961 0.037 . 1 . . . . 79 VAL N . 17405 1 754 . 1 1 62 62 ASN H H 1 9.419 0.014 . 1 . . . . 80 ASN H . 17405 1 755 . 1 1 62 62 ASN HA H 1 3.390 0.009 . 1 . . . . 80 ASN HA . 17405 1 756 . 1 1 62 62 ASN HB2 H 1 2.758 0.005 . 2 . . . . 80 ASN HB2 . 17405 1 757 . 1 1 62 62 ASN HB3 H 1 2.495 0.007 . 2 . . . . 80 ASN HB3 . 17405 1 758 . 1 1 62 62 ASN HD21 H 1 7.387 0.005 . 2 . . . . 80 ASN HD21 . 17405 1 759 . 1 1 62 62 ASN HD22 H 1 6.694 0.005 . 2 . . . . 80 ASN HD22 . 17405 1 760 . 1 1 62 62 ASN C C 13 173.355 0.026 . 1 . . . . 80 ASN C . 17405 1 761 . 1 1 62 62 ASN CA C 13 53.614 0.159 . 1 . . . . 80 ASN CA . 17405 1 762 . 1 1 62 62 ASN CB C 13 36.781 0.078 . 1 . . . . 80 ASN CB . 17405 1 763 . 1 1 62 62 ASN N N 15 115.680 0.048 . 1 . . . . 80 ASN N . 17405 1 764 . 1 1 62 62 ASN ND2 N 15 112.669 0.110 . 1 . . . . 80 ASN ND2 . 17405 1 765 . 1 1 63 63 TYR H H 1 7.712 0.013 . 1 . . . . 81 TYR H . 17405 1 766 . 1 1 63 63 TYR HA H 1 2.291 0.007 . 1 . . . . 81 TYR HA . 17405 1 767 . 1 1 63 63 TYR HB2 H 1 2.910 0.007 . 2 . . . . 81 TYR HB2 . 17405 1 768 . 1 1 63 63 TYR HB3 H 1 1.919 0.007 . 2 . . . . 81 TYR HB3 . 17405 1 769 . 1 1 63 63 TYR HD1 H 1 6.636 0.023 . 1 . . . . 81 TYR HD1 . 17405 1 770 . 1 1 63 63 TYR HD2 H 1 6.636 0.023 . 1 . . . . 81 TYR HD2 . 17405 1 771 . 1 1 63 63 TYR HE1 H 1 6.822 0.015 . 1 . . . . 81 TYR HE1 . 17405 1 772 . 1 1 63 63 TYR HE2 H 1 6.822 0.015 . 1 . . . . 81 TYR HE2 . 17405 1 773 . 1 1 63 63 TYR C C 13 175.309 0.000 . 1 . . . . 81 TYR C . 17405 1 774 . 1 1 63 63 TYR CA C 13 55.237 0.045 . 1 . . . . 81 TYR CA . 17405 1 775 . 1 1 63 63 TYR CB C 13 34.339 0.061 . 1 . . . . 81 TYR CB . 17405 1 776 . 1 1 63 63 TYR CD1 C 13 132.650 0.127 . 1 . . . . 81 TYR CD1 . 17405 1 777 . 1 1 63 63 TYR CD2 C 13 132.650 0.127 . 1 . . . . 81 TYR CD2 . 17405 1 778 . 1 1 63 63 TYR CE1 C 13 118.785 0.103 . 1 . . . . 81 TYR CE1 . 17405 1 779 . 1 1 63 63 TYR CE2 C 13 118.785 0.103 . 1 . . . . 81 TYR CE2 . 17405 1 780 . 1 1 63 63 TYR N N 15 111.320 0.116 . 1 . . . . 81 TYR N . 17405 1 781 . 1 1 64 64 THR H H 1 6.188 0.008 . 1 . . . . 82 THR H . 17405 1 782 . 1 1 64 64 THR HA H 1 4.599 0.003 . 1 . . . . 82 THR HA . 17405 1 783 . 1 1 64 64 THR HB H 1 4.177 0.010 . 1 . . . . 82 THR HB . 17405 1 784 . 1 1 64 64 THR HG21 H 1 1.075 0.017 . 1 . . . . 82 THR QG2 . 17405 1 785 . 1 1 64 64 THR HG22 H 1 1.075 0.017 . 1 . . . . 82 THR QG2 . 17405 1 786 . 1 1 64 64 THR HG23 H 1 1.075 0.017 . 1 . . . . 82 THR QG2 . 17405 1 787 . 1 1 64 64 THR C C 13 172.132 0.019 . 1 . . . . 82 THR C . 17405 1 788 . 1 1 64 64 THR CA C 13 59.552 0.155 . 1 . . . . 82 THR CA . 17405 1 789 . 1 1 64 64 THR CB C 13 73.255 0.115 . 1 . . . . 82 THR CB . 17405 1 790 . 1 1 64 64 THR CG2 C 13 21.133 0.127 . 1 . . . . 82 THR CG2 . 17405 1 791 . 1 1 64 64 THR N N 15 108.355 0.101 . 1 . . . . 82 THR N . 17405 1 792 . 1 1 65 65 GLY H H 1 8.057 0.004 . 1 . . . . 83 GLY H . 17405 1 793 . 1 1 65 65 GLY HA2 H 1 3.659 0.002 . 2 . . . . 83 GLY HA2 . 17405 1 794 . 1 1 65 65 GLY HA3 H 1 4.667 0.013 . 2 . . . . 83 GLY HA3 . 17405 1 795 . 1 1 65 65 GLY C C 13 175.663 0.006 . 1 . . . . 83 GLY C . 17405 1 796 . 1 1 65 65 GLY CA C 13 43.932 0.076 . 1 . . . . 83 GLY CA . 17405 1 797 . 1 1 65 65 GLY N N 15 103.676 0.137 . 1 . . . . 83 GLY N . 17405 1 798 . 1 1 66 66 ARG H H 1 8.747 0.009 . 1 . . . . 84 ARG H . 17405 1 799 . 1 1 66 66 ARG HA H 1 4.086 0.010 . 1 . . . . 84 ARG HA . 17405 1 800 . 1 1 66 66 ARG HB2 H 1 1.389 0.012 . 2 . . . . 84 ARG HB2 . 17405 1 801 . 1 1 66 66 ARG HB3 H 1 1.118 0.009 . 2 . . . . 84 ARG HB3 . 17405 1 802 . 1 1 66 66 ARG HG2 H 1 1.703 0.007 . 2 . . . . 84 ARG HG2 . 17405 1 803 . 1 1 66 66 ARG HG3 H 1 1.422 0.013 . 2 . . . . 84 ARG HG3 . 17405 1 804 . 1 1 66 66 ARG HD2 H 1 2.943 0.012 . 2 . . . . 84 ARG HD2 . 17405 1 805 . 1 1 66 66 ARG HD3 H 1 2.826 0.007 . 2 . . . . 84 ARG HD3 . 17405 1 806 . 1 1 66 66 ARG C C 13 174.431 0.019 . 1 . . . . 84 ARG C . 17405 1 807 . 1 1 66 66 ARG CA C 13 57.019 0.118 . 1 . . . . 84 ARG CA . 17405 1 808 . 1 1 66 66 ARG CB C 13 31.112 0.145 . 1 . . . . 84 ARG CB . 17405 1 809 . 1 1 66 66 ARG CG C 13 27.946 0.138 . 1 . . . . 84 ARG CG . 17405 1 810 . 1 1 66 66 ARG CD C 13 43.552 0.092 . 1 . . . . 84 ARG CD . 17405 1 811 . 1 1 66 66 ARG N N 15 123.666 0.063 . 1 . . . . 84 ARG N . 17405 1 812 . 1 1 67 67 ILE H H 1 7.847 0.010 . 1 . . . . 85 ILE H . 17405 1 813 . 1 1 67 67 ILE HA H 1 5.218 0.010 . 1 . . . . 85 ILE HA . 17405 1 814 . 1 1 67 67 ILE HB H 1 1.511 0.004 . 1 . . . . 85 ILE HB . 17405 1 815 . 1 1 67 67 ILE HG12 H 1 1.090 0.015 . 2 . . . . 85 ILE HG12 . 17405 1 816 . 1 1 67 67 ILE HG13 H 1 0.763 0.013 . 2 . . . . 85 ILE HG13 . 17405 1 817 . 1 1 67 67 ILE HG21 H 1 0.691 0.012 . 1 . . . . 85 ILE QG2 . 17405 1 818 . 1 1 67 67 ILE HG22 H 1 0.691 0.012 . 1 . . . . 85 ILE QG2 . 17405 1 819 . 1 1 67 67 ILE HG23 H 1 0.691 0.012 . 1 . . . . 85 ILE QG2 . 17405 1 820 . 1 1 67 67 ILE HD11 H 1 0.551 0.008 . 1 . . . . 85 ILE QD1 . 17405 1 821 . 1 1 67 67 ILE HD12 H 1 0.551 0.008 . 1 . . . . 85 ILE QD1 . 17405 1 822 . 1 1 67 67 ILE HD13 H 1 0.551 0.008 . 1 . . . . 85 ILE QD1 . 17405 1 823 . 1 1 67 67 ILE C C 13 176.763 0.011 . 1 . . . . 85 ILE C . 17405 1 824 . 1 1 67 67 ILE CA C 13 59.354 0.052 . 1 . . . . 85 ILE CA . 17405 1 825 . 1 1 67 67 ILE CB C 13 42.568 0.124 . 1 . . . . 85 ILE CB . 17405 1 826 . 1 1 67 67 ILE CG1 C 13 27.311 0.075 . 1 . . . . 85 ILE CG1 . 17405 1 827 . 1 1 67 67 ILE CG2 C 13 16.409 0.022 . 1 . . . . 85 ILE CG2 . 17405 1 828 . 1 1 67 67 ILE CD1 C 13 14.645 0.036 . 1 . . . . 85 ILE CD1 . 17405 1 829 . 1 1 67 67 ILE N N 15 118.464 0.078 . 1 . . . . 85 ILE N . 17405 1 830 . 1 1 68 68 THR H H 1 8.807 0.009 . 1 . . . . 86 THR H . 17405 1 831 . 1 1 68 68 THR HA H 1 4.673 0.003 . 1 . . . . 86 THR HA . 17405 1 832 . 1 1 68 68 THR HB H 1 3.968 0.003 . 1 . . . . 86 THR HB . 17405 1 833 . 1 1 68 68 THR HG21 H 1 0.925 0.004 . 1 . . . . 86 THR QG2 . 17405 1 834 . 1 1 68 68 THR HG22 H 1 0.925 0.004 . 1 . . . . 86 THR QG2 . 17405 1 835 . 1 1 68 68 THR HG23 H 1 0.925 0.004 . 1 . . . . 86 THR QG2 . 17405 1 836 . 1 1 68 68 THR C C 13 171.714 0.003 . 1 . . . . 86 THR C . 17405 1 837 . 1 1 68 68 THR CA C 13 62.043 0.056 . 1 . . . . 86 THR CA . 17405 1 838 . 1 1 68 68 THR CB C 13 71.029 0.107 . 1 . . . . 86 THR CB . 17405 1 839 . 1 1 68 68 THR CG2 C 13 20.474 0.046 . 1 . . . . 86 THR CG2 . 17405 1 840 . 1 1 68 68 THR N N 15 123.018 0.104 . 1 . . . . 86 THR N . 17405 1 841 . 1 1 69 69 GLY H H 1 8.484 0.015 . 1 . . . . 87 GLY H . 17405 1 842 . 1 1 69 69 GLY HA2 H 1 3.706 0.005 . 2 . . . . 87 GLY HA2 . 17405 1 843 . 1 1 69 69 GLY HA3 H 1 5.212 0.014 . 2 . . . . 87 GLY HA3 . 17405 1 844 . 1 1 69 69 GLY C C 13 172.262 0.020 . 1 . . . . 87 GLY C . 17405 1 845 . 1 1 69 69 GLY CA C 13 45.043 0.156 . 1 . . . . 87 GLY CA . 17405 1 846 . 1 1 69 69 GLY N N 15 114.445 0.038 . 1 . . . . 87 GLY N . 17405 1 847 . 1 1 70 70 LEU H H 1 8.592 0.010 . 1 . . . . 88 LEU H . 17405 1 848 . 1 1 70 70 LEU HA H 1 4.345 0.007 . 1 . . . . 88 LEU HA . 17405 1 849 . 1 1 70 70 LEU HB2 H 1 1.379 0.015 . 2 . . . . 88 LEU HB2 . 17405 1 850 . 1 1 70 70 LEU HB3 H 1 1.235 0.010 . 2 . . . . 88 LEU HB3 . 17405 1 851 . 1 1 70 70 LEU HG H 1 1.406 0.015 . 1 . . . . 88 LEU HG . 17405 1 852 . 1 1 70 70 LEU HD11 H 1 0.589 0.013 . 1 . . . . 88 LEU QD1 . 17405 1 853 . 1 1 70 70 LEU HD12 H 1 0.589 0.013 . 1 . . . . 88 LEU QD1 . 17405 1 854 . 1 1 70 70 LEU HD13 H 1 0.589 0.013 . 1 . . . . 88 LEU QD1 . 17405 1 855 . 1 1 70 70 LEU HD21 H 1 0.607 0.013 . 1 . . . . 88 LEU QD2 . 17405 1 856 . 1 1 70 70 LEU HD22 H 1 0.607 0.013 . 1 . . . . 88 LEU QD2 . 17405 1 857 . 1 1 70 70 LEU HD23 H 1 0.607 0.013 . 1 . . . . 88 LEU QD2 . 17405 1 858 . 1 1 70 70 LEU C C 13 173.407 0.012 . 1 . . . . 88 LEU C . 17405 1 859 . 1 1 70 70 LEU CA C 13 55.491 0.180 . 1 . . . . 88 LEU CA . 17405 1 860 . 1 1 70 70 LEU CB C 13 45.674 0.172 . 1 . . . . 88 LEU CB . 17405 1 861 . 1 1 70 70 LEU CG C 13 27.391 0.056 . 1 . . . . 88 LEU CG . 17405 1 862 . 1 1 70 70 LEU CD1 C 13 26.003 0.150 . 1 . . . . 88 LEU CD1 . 17405 1 863 . 1 1 70 70 LEU CD2 C 13 25.709 0.149 . 1 . . . . 88 LEU CD2 . 17405 1 864 . 1 1 70 70 LEU N N 15 123.255 0.079 . 1 . . . . 88 LEU N . 17405 1 865 . 1 1 71 71 GLY H H 1 7.758 0.004 . 1 . . . . 89 GLY H . 17405 1 866 . 1 1 71 71 GLY HA2 H 1 3.758 0.003 . 2 . . . . 89 GLY HA2 . 17405 1 867 . 1 1 71 71 GLY HA3 H 1 4.476 0.012 . 2 . . . . 89 GLY HA3 . 17405 1 868 . 1 1 71 71 GLY C C 13 174.296 0.019 . 1 . . . . 89 GLY C . 17405 1 869 . 1 1 71 71 GLY CA C 13 43.166 0.039 . 1 . . . . 89 GLY CA . 17405 1 870 . 1 1 71 71 GLY N N 15 107.727 0.046 . 1 . . . . 89 GLY N . 17405 1 871 . 1 1 72 72 HIS H H 1 9.134 0.016 . 1 . . . . 90 HIS H . 17405 1 872 . 1 1 72 72 HIS HA H 1 4.131 0.014 . 1 . . . . 90 HIS HA . 17405 1 873 . 1 1 72 72 HIS HB2 H 1 3.943 0.018 . 2 . . . . 90 HIS HB2 . 17405 1 874 . 1 1 72 72 HIS HB3 H 1 3.033 0.014 . 2 . . . . 90 HIS HB3 . 17405 1 875 . 1 1 72 72 HIS HD2 H 1 7.281 0.010 . 1 . . . . 90 HIS HD2 . 17405 1 876 . 1 1 72 72 HIS HE1 H 1 7.163 0.015 . 1 . . . . 90 HIS HE1 . 17405 1 877 . 1 1 72 72 HIS C C 13 175.990 0.008 . 1 . . . . 90 HIS C . 17405 1 878 . 1 1 72 72 HIS CA C 13 57.271 0.074 . 1 . . . . 90 HIS CA . 17405 1 879 . 1 1 72 72 HIS CB C 13 30.872 0.161 . 1 . . . . 90 HIS CB . 17405 1 880 . 1 1 72 72 HIS CE1 C 13 138.590 0.113 . 1 . . . . 90 HIS CE1 . 17405 1 881 . 1 1 72 72 HIS N N 15 118.715 0.098 . 1 . . . . 90 HIS N . 17405 1 882 . 1 1 73 73 GLY H H 1 7.794 0.012 . 1 . . . . 91 GLY H . 17405 1 883 . 1 1 73 73 GLY HA2 H 1 3.674 0.006 . 2 . . . . 91 GLY HA2 . 17405 1 884 . 1 1 73 73 GLY HA3 H 1 3.853 0.005 . 2 . . . . 91 GLY HA3 . 17405 1 885 . 1 1 73 73 GLY C C 13 173.679 0.000 . 1 . . . . 91 GLY C . 17405 1 886 . 1 1 73 73 GLY CA C 13 46.627 0.113 . 1 . . . . 91 GLY CA . 17405 1 887 . 1 1 73 73 GLY N N 15 111.118 0.103 . 1 . . . . 91 GLY N . 17405 1 888 . 1 1 74 74 THR H H 1 7.595 0.010 . 1 . . . . 92 THR H . 17405 1 889 . 1 1 74 74 THR HA H 1 4.680 0.021 . 1 . . . . 92 THR HA . 17405 1 890 . 1 1 74 74 THR HB H 1 4.065 0.009 . 1 . . . . 92 THR HB . 17405 1 891 . 1 1 74 74 THR HG21 H 1 1.083 0.008 . 1 . . . . 92 THR QG2 . 17405 1 892 . 1 1 74 74 THR HG22 H 1 1.083 0.008 . 1 . . . . 92 THR QG2 . 17405 1 893 . 1 1 74 74 THR HG23 H 1 1.083 0.008 . 1 . . . . 92 THR QG2 . 17405 1 894 . 1 1 74 74 THR C C 13 172.655 0.012 . 1 . . . . 92 THR C . 17405 1 895 . 1 1 74 74 THR CA C 13 61.152 0.145 . 1 . . . . 92 THR CA . 17405 1 896 . 1 1 74 74 THR CB C 13 71.937 0.009 . 1 . . . . 92 THR CB . 17405 1 897 . 1 1 74 74 THR CG2 C 13 21.291 0.033 . 1 . . . . 92 THR CG2 . 17405 1 898 . 1 1 74 74 THR N N 15 111.560 0.186 . 1 . . . . 92 THR N . 17405 1 899 . 1 1 75 75 CYS H H 1 8.439 0.007 . 1 . . . . 93 CYS H . 17405 1 900 . 1 1 75 75 CYS HA H 1 5.643 0.009 . 1 . . . . 93 CYS HA . 17405 1 901 . 1 1 75 75 CYS HB2 H 1 2.845 0.010 . 2 . . . . 93 CYS HB2 . 17405 1 902 . 1 1 75 75 CYS HB3 H 1 2.634 0.014 . 2 . . . . 93 CYS HB3 . 17405 1 903 . 1 1 75 75 CYS C C 13 175.065 0.015 . 1 . . . . 93 CYS C . 17405 1 904 . 1 1 75 75 CYS CA C 13 56.055 0.112 . 1 . . . . 93 CYS CA . 17405 1 905 . 1 1 75 75 CYS CB C 13 48.727 0.075 . 1 . . . . 93 CYS CB . 17405 1 906 . 1 1 75 75 CYS N N 15 117.686 0.133 . 1 . . . . 93 CYS N . 17405 1 907 . 1 1 76 76 ILE H H 1 9.297 0.014 . 1 . . . . 94 ILE H . 17405 1 908 . 1 1 76 76 ILE HA H 1 4.074 0.005 . 1 . . . . 94 ILE HA . 17405 1 909 . 1 1 76 76 ILE HB H 1 1.686 0.008 . 1 . . . . 94 ILE HB . 17405 1 910 . 1 1 76 76 ILE HG12 H 1 1.577 0.017 . 2 . . . . 94 ILE HG12 . 17405 1 911 . 1 1 76 76 ILE HG13 H 1 1.041 0.007 . 2 . . . . 94 ILE HG13 . 17405 1 912 . 1 1 76 76 ILE HG21 H 1 0.841 0.007 . 1 . . . . 94 ILE QG2 . 17405 1 913 . 1 1 76 76 ILE HG22 H 1 0.841 0.007 . 1 . . . . 94 ILE QG2 . 17405 1 914 . 1 1 76 76 ILE HG23 H 1 0.841 0.007 . 1 . . . . 94 ILE QG2 . 17405 1 915 . 1 1 76 76 ILE HD11 H 1 0.826 0.020 . 1 . . . . 94 ILE QD1 . 17405 1 916 . 1 1 76 76 ILE HD12 H 1 0.826 0.020 . 1 . . . . 94 ILE QD1 . 17405 1 917 . 1 1 76 76 ILE HD13 H 1 0.826 0.020 . 1 . . . . 94 ILE QD1 . 17405 1 918 . 1 1 76 76 ILE C C 13 175.499 0.025 . 1 . . . . 94 ILE C . 17405 1 919 . 1 1 76 76 ILE CA C 13 61.541 0.183 . 1 . . . . 94 ILE CA . 17405 1 920 . 1 1 76 76 ILE CB C 13 39.082 0.073 . 1 . . . . 94 ILE CB . 17405 1 921 . 1 1 76 76 ILE CG1 C 13 26.698 0.214 . 1 . . . . 94 ILE CG1 . 17405 1 922 . 1 1 76 76 ILE CG2 C 13 17.260 0.150 . 1 . . . . 94 ILE CG2 . 17405 1 923 . 1 1 76 76 ILE CD1 C 13 13.958 0.106 . 1 . . . . 94 ILE CD1 . 17405 1 924 . 1 1 76 76 ILE N N 15 122.361 0.139 . 1 . . . . 94 ILE N . 17405 1 925 . 1 1 77 77 ASP H H 1 8.342 0.013 . 1 . . . . 95 ASP H . 17405 1 926 . 1 1 77 77 ASP HA H 1 4.053 0.015 . 1 . . . . 95 ASP HA . 17405 1 927 . 1 1 77 77 ASP HB2 H 1 2.081 0.012 . 2 . . . . 95 ASP HB2 . 17405 1 928 . 1 1 77 77 ASP HB3 H 1 1.697 0.009 . 2 . . . . 95 ASP HB3 . 17405 1 929 . 1 1 77 77 ASP C C 13 174.710 0.012 . 1 . . . . 95 ASP C . 17405 1 930 . 1 1 77 77 ASP CA C 13 57.136 0.086 . 1 . . . . 95 ASP CA . 17405 1 931 . 1 1 77 77 ASP CB C 13 41.686 0.066 . 1 . . . . 95 ASP CB . 17405 1 932 . 1 1 77 77 ASP N N 15 125.797 0.059 . 1 . . . . 95 ASP N . 17405 1 933 . 1 1 78 78 ASP H H 1 7.873 0.011 . 1 . . . . 96 ASP H . 17405 1 934 . 1 1 78 78 ASP HA H 1 5.031 0.006 . 1 . . . . 96 ASP HA . 17405 1 935 . 1 1 78 78 ASP HB2 H 1 2.766 0.006 . 2 . . . . 96 ASP HB2 . 17405 1 936 . 1 1 78 78 ASP HB3 H 1 2.123 0.012 . 2 . . . . 96 ASP HB3 . 17405 1 937 . 1 1 78 78 ASP C C 13 176.710 0.012 . 1 . . . . 96 ASP C . 17405 1 938 . 1 1 78 78 ASP CA C 13 52.050 0.072 . 1 . . . . 96 ASP CA . 17405 1 939 . 1 1 78 78 ASP CB C 13 39.791 0.091 . 1 . . . . 96 ASP CB . 17405 1 940 . 1 1 78 78 ASP N N 15 114.967 0.100 . 1 . . . . 96 ASP N . 17405 1 941 . 1 1 79 79 PHE H H 1 9.057 0.010 . 1 . . . . 97 PHE H . 17405 1 942 . 1 1 79 79 PHE HA H 1 3.952 0.010 . 1 . . . . 97 PHE HA . 17405 1 943 . 1 1 79 79 PHE HB2 H 1 3.113 0.021 . 2 . . . . 97 PHE HB2 . 17405 1 944 . 1 1 79 79 PHE HB3 H 1 2.418 0.013 . 2 . . . . 97 PHE HB3 . 17405 1 945 . 1 1 79 79 PHE HD1 H 1 7.041 0.009 . 1 . . . . 97 PHE HD1 . 17405 1 946 . 1 1 79 79 PHE HD2 H 1 7.041 0.009 . 1 . . . . 97 PHE HD2 . 17405 1 947 . 1 1 79 79 PHE HE1 H 1 6.799 0.017 . 1 . . . . 97 PHE HE1 . 17405 1 948 . 1 1 79 79 PHE HE2 H 1 6.799 0.017 . 1 . . . . 97 PHE HE2 . 17405 1 949 . 1 1 79 79 PHE HZ H 1 6.404 0.018 . 1 . . . . 97 PHE HZ . 17405 1 950 . 1 1 79 79 PHE C C 13 177.491 0.007 . 1 . . . . 97 PHE C . 17405 1 951 . 1 1 79 79 PHE CA C 13 60.739 0.091 . 1 . . . . 97 PHE CA . 17405 1 952 . 1 1 79 79 PHE CB C 13 39.606 0.099 . 1 . . . . 97 PHE CB . 17405 1 953 . 1 1 79 79 PHE CD1 C 13 131.875 0.098 . 1 . . . . 97 PHE CD1 . 17405 1 954 . 1 1 79 79 PHE CD2 C 13 131.875 0.098 . 1 . . . . 97 PHE CD2 . 17405 1 955 . 1 1 79 79 PHE CE1 C 13 130.197 0.132 . 1 . . . . 97 PHE CE1 . 17405 1 956 . 1 1 79 79 PHE CE2 C 13 130.197 0.132 . 1 . . . . 97 PHE CE2 . 17405 1 957 . 1 1 79 79 PHE CZ C 13 129.954 0.161 . 1 . . . . 97 PHE CZ . 17405 1 958 . 1 1 79 79 PHE N N 15 125.927 0.080 . 1 . . . . 97 PHE N . 17405 1 959 . 1 1 80 80 THR H H 1 8.609 0.009 . 1 . . . . 98 THR H . 17405 1 960 . 1 1 80 80 THR HA H 1 4.324 0.019 . 1 . . . . 98 THR HA . 17405 1 961 . 1 1 80 80 THR HB H 1 4.354 0.007 . 1 . . . . 98 THR HB . 17405 1 962 . 1 1 80 80 THR HG21 H 1 1.407 0.006 . 1 . . . . 98 THR QG2 . 17405 1 963 . 1 1 80 80 THR HG22 H 1 1.407 0.006 . 1 . . . . 98 THR QG2 . 17405 1 964 . 1 1 80 80 THR HG23 H 1 1.407 0.006 . 1 . . . . 98 THR QG2 . 17405 1 965 . 1 1 80 80 THR C C 13 176.548 0.003 . 1 . . . . 98 THR C . 17405 1 966 . 1 1 80 80 THR CA C 13 64.789 0.082 . 1 . . . . 98 THR CA . 17405 1 967 . 1 1 80 80 THR CB C 13 68.421 0.150 . 1 . . . . 98 THR CB . 17405 1 968 . 1 1 80 80 THR CG2 C 13 21.666 0.040 . 1 . . . . 98 THR CG2 . 17405 1 969 . 1 1 80 80 THR N N 15 112.444 0.103 . 1 . . . . 98 THR N . 17405 1 970 . 1 1 81 81 LYS H H 1 7.031 0.013 . 1 . . . . 99 LYS H . 17405 1 971 . 1 1 81 81 LYS HA H 1 4.377 0.005 . 1 . . . . 99 LYS HA . 17405 1 972 . 1 1 81 81 LYS HB2 H 1 2.025 0.008 . 2 . . . . 99 LYS HB2 . 17405 1 973 . 1 1 81 81 LYS HB3 H 1 1.634 0.011 . 2 . . . . 99 LYS HB3 . 17405 1 974 . 1 1 81 81 LYS HG2 H 1 1.434 0.008 . 2 . . . . 99 LYS HG2 . 17405 1 975 . 1 1 81 81 LYS HG3 H 1 1.315 0.008 . 2 . . . . 99 LYS HG3 . 17405 1 976 . 1 1 81 81 LYS HD2 H 1 1.645 0.015 . 1 . . . . 99 LYS HD2 . 17405 1 977 . 1 1 81 81 LYS HD3 H 1 1.645 0.015 . 1 . . . . 99 LYS HD3 . 17405 1 978 . 1 1 81 81 LYS HE2 H 1 3.015 0.003 . 1 . . . . 99 LYS HE2 . 17405 1 979 . 1 1 81 81 LYS HE3 H 1 3.015 0.003 . 1 . . . . 99 LYS HE3 . 17405 1 980 . 1 1 81 81 LYS C C 13 177.130 0.005 . 1 . . . . 99 LYS C . 17405 1 981 . 1 1 81 81 LYS CA C 13 56.058 0.070 . 1 . . . . 99 LYS CA . 17405 1 982 . 1 1 81 81 LYS CB C 13 32.316 0.089 . 1 . . . . 99 LYS CB . 17405 1 983 . 1 1 81 81 LYS CG C 13 25.076 0.075 . 1 . . . . 99 LYS CG . 17405 1 984 . 1 1 81 81 LYS CD C 13 28.831 0.150 . 1 . . . . 99 LYS CD . 17405 1 985 . 1 1 81 81 LYS CE C 13 42.284 0.150 . 1 . . . . 99 LYS CE . 17405 1 986 . 1 1 81 81 LYS N N 15 120.052 0.042 . 1 . . . . 99 LYS N . 17405 1 987 . 1 1 82 82 SER H H 1 7.448 0.014 . 1 . . . . 100 SER H . 17405 1 988 . 1 1 82 82 SER HA H 1 4.041 0.010 . 1 . . . . 100 SER HA . 17405 1 989 . 1 1 82 82 SER HB2 H 1 3.534 0.003 . 2 . . . . 100 SER HB2 . 17405 1 990 . 1 1 82 82 SER HB3 H 1 3.290 0.002 . 2 . . . . 100 SER HB3 . 17405 1 991 . 1 1 82 82 SER C C 13 175.099 0.000 . 1 . . . . 100 SER C . 17405 1 992 . 1 1 82 82 SER CA C 13 60.178 0.229 . 1 . . . . 100 SER CA . 17405 1 993 . 1 1 82 82 SER CB C 13 64.471 0.166 . 1 . . . . 100 SER CB . 17405 1 994 . 1 1 82 82 SER N N 15 114.383 0.058 . 1 . . . . 100 SER N . 17405 1 995 . 1 1 83 83 GLY H H 1 8.016 0.015 . 1 . . . . 101 GLY H . 17405 1 996 . 1 1 83 83 GLY HA2 H 1 4.154 0.003 . 2 . . . . 101 GLY HA2 . 17405 1 997 . 1 1 83 83 GLY HA3 H 1 3.635 0.005 . 2 . . . . 101 GLY HA3 . 17405 1 998 . 1 1 83 83 GLY C C 13 173.693 0.007 . 1 . . . . 101 GLY C . 17405 1 999 . 1 1 83 83 GLY CA C 13 45.410 0.081 . 1 . . . . 101 GLY CA . 17405 1 1000 . 1 1 83 83 GLY N N 15 110.127 0.144 . 1 . . . . 101 GLY N . 17405 1 1001 . 1 1 84 84 PHE H H 1 7.833 0.011 . 1 . . . . 102 PHE H . 17405 1 1002 . 1 1 84 84 PHE HA H 1 4.521 0.007 . 1 . . . . 102 PHE HA . 17405 1 1003 . 1 1 84 84 PHE HB2 H 1 2.917 0.007 . 2 . . . . 102 PHE HB2 . 17405 1 1004 . 1 1 84 84 PHE HB3 H 1 2.822 0.003 . 2 . . . . 102 PHE HB3 . 17405 1 1005 . 1 1 84 84 PHE HD1 H 1 7.108 0.008 . 1 . . . . 102 PHE HD1 . 17405 1 1006 . 1 1 84 84 PHE HD2 H 1 7.108 0.008 . 1 . . . . 102 PHE HD2 . 17405 1 1007 . 1 1 84 84 PHE HE1 H 1 7.108 0.010 . 1 . . . . 102 PHE HE1 . 17405 1 1008 . 1 1 84 84 PHE HE2 H 1 7.108 0.010 . 1 . . . . 102 PHE HE2 . 17405 1 1009 . 1 1 84 84 PHE HZ H 1 6.635 0.016 . 1 . . . . 102 PHE HZ . 17405 1 1010 . 1 1 84 84 PHE C C 13 177.373 0.025 . 1 . . . . 102 PHE C . 17405 1 1011 . 1 1 84 84 PHE CA C 13 57.094 0.025 . 1 . . . . 102 PHE CA . 17405 1 1012 . 1 1 84 84 PHE CB C 13 39.329 0.193 . 1 . . . . 102 PHE CB . 17405 1 1013 . 1 1 84 84 PHE CD1 C 13 133.330 0.126 . 1 . . . . 102 PHE CD1 . 17405 1 1014 . 1 1 84 84 PHE CD2 C 13 133.330 0.126 . 1 . . . . 102 PHE CD2 . 17405 1 1015 . 1 1 84 84 PHE CE1 C 13 130.888 0.144 . 1 . . . . 102 PHE CE1 . 17405 1 1016 . 1 1 84 84 PHE CE2 C 13 130.888 0.144 . 1 . . . . 102 PHE CE2 . 17405 1 1017 . 1 1 84 84 PHE CZ C 13 132.643 0.061 . 1 . . . . 102 PHE CZ . 17405 1 1018 . 1 1 84 84 PHE N N 15 121.383 0.053 . 1 . . . . 102 PHE N . 17405 1 1019 . 1 1 85 85 LYS H H 1 8.954 0.015 . 1 . . . . 103 LYS H . 17405 1 1020 . 1 1 85 85 LYS HA H 1 4.308 0.006 . 1 . . . . 103 LYS HA . 17405 1 1021 . 1 1 85 85 LYS HB2 H 1 1.888 0.006 . 1 . . . . 103 LYS HB2 . 17405 1 1022 . 1 1 85 85 LYS HB3 H 1 1.888 0.006 . 1 . . . . 103 LYS HB3 . 17405 1 1023 . 1 1 85 85 LYS HG2 H 1 1.489 0.008 . 1 . . . . 103 LYS HG2 . 17405 1 1024 . 1 1 85 85 LYS HG3 H 1 1.489 0.008 . 1 . . . . 103 LYS HG3 . 17405 1 1025 . 1 1 85 85 LYS HD2 H 1 1.695 0.006 . 1 . . . . 103 LYS HD2 . 17405 1 1026 . 1 1 85 85 LYS HD3 H 1 1.695 0.006 . 1 . . . . 103 LYS HD3 . 17405 1 1027 . 1 1 85 85 LYS HE2 H 1 3.004 0.014 . 1 . . . . 103 LYS HE2 . 17405 1 1028 . 1 1 85 85 LYS HE3 H 1 3.004 0.014 . 1 . . . . 103 LYS HE3 . 17405 1 1029 . 1 1 85 85 LYS C C 13 176.740 0.067 . 1 . . . . 103 LYS C . 17405 1 1030 . 1 1 85 85 LYS CA C 13 57.049 0.246 . 1 . . . . 103 LYS CA . 17405 1 1031 . 1 1 85 85 LYS CB C 13 32.180 0.087 . 1 . . . . 103 LYS CB . 17405 1 1032 . 1 1 85 85 LYS CG C 13 24.918 0.150 . 1 . . . . 103 LYS CG . 17405 1 1033 . 1 1 85 85 LYS CD C 13 28.957 0.156 . 1 . . . . 103 LYS CD . 17405 1 1034 . 1 1 85 85 LYS CE C 13 42.215 0.150 . 1 . . . . 103 LYS CE . 17405 1 1035 . 1 1 85 85 LYS N N 15 121.006 0.150 . 1 . . . . 103 LYS N . 17405 1 1036 . 1 1 86 86 GLY H H 1 7.582 0.009 . 1 . . . . 104 GLY H . 17405 1 1037 . 1 1 86 86 GLY HA2 H 1 3.865 0.006 . 2 . . . . 104 GLY HA2 . 17405 1 1038 . 1 1 86 86 GLY HA3 H 1 4.339 0.005 . 2 . . . . 104 GLY HA3 . 17405 1 1039 . 1 1 86 86 GLY C C 13 171.162 0.006 . 1 . . . . 104 GLY C . 17405 1 1040 . 1 1 86 86 GLY CA C 13 44.812 0.034 . 1 . . . . 104 GLY CA . 17405 1 1041 . 1 1 86 86 GLY N N 15 105.139 0.080 . 1 . . . . 104 GLY N . 17405 1 1042 . 1 1 87 87 ILE H H 1 9.621 0.018 . 1 . . . . 105 ILE H . 17405 1 1043 . 1 1 87 87 ILE HA H 1 4.657 0.013 . 1 . . . . 105 ILE HA . 17405 1 1044 . 1 1 87 87 ILE HB H 1 1.783 0.007 . 1 . . . . 105 ILE HB . 17405 1 1045 . 1 1 87 87 ILE HG12 H 1 1.808 0.013 . 2 . . . . 105 ILE HG12 . 17405 1 1046 . 1 1 87 87 ILE HG13 H 1 0.888 0.010 . 2 . . . . 105 ILE HG13 . 17405 1 1047 . 1 1 87 87 ILE HG21 H 1 1.050 0.006 . 1 . . . . 105 ILE QG2 . 17405 1 1048 . 1 1 87 87 ILE HG22 H 1 1.050 0.006 . 1 . . . . 105 ILE QG2 . 17405 1 1049 . 1 1 87 87 ILE HG23 H 1 1.050 0.006 . 1 . . . . 105 ILE QG2 . 17405 1 1050 . 1 1 87 87 ILE HD11 H 1 0.451 0.005 . 1 . . . . 105 ILE QD1 . 17405 1 1051 . 1 1 87 87 ILE HD12 H 1 0.451 0.005 . 1 . . . . 105 ILE QD1 . 17405 1 1052 . 1 1 87 87 ILE HD13 H 1 0.451 0.005 . 1 . . . . 105 ILE QD1 . 17405 1 1053 . 1 1 87 87 ILE C C 13 175.431 0.007 . 1 . . . . 105 ILE C . 17405 1 1054 . 1 1 87 87 ILE CA C 13 61.324 0.132 . 1 . . . . 105 ILE CA . 17405 1 1055 . 1 1 87 87 ILE CB C 13 40.582 0.067 . 1 . . . . 105 ILE CB . 17405 1 1056 . 1 1 87 87 ILE CG1 C 13 27.700 0.134 . 1 . . . . 105 ILE CG1 . 17405 1 1057 . 1 1 87 87 ILE CG2 C 13 19.093 0.091 . 1 . . . . 105 ILE CG2 . 17405 1 1058 . 1 1 87 87 ILE CD1 C 13 15.446 0.170 . 1 . . . . 105 ILE CD1 . 17405 1 1059 . 1 1 87 87 ILE N N 15 120.318 0.075 . 1 . . . . 105 ILE N . 17405 1 1060 . 1 1 88 88 SER H H 1 9.051 0.012 . 1 . . . . 106 SER H . 17405 1 1061 . 1 1 88 88 SER HA H 1 4.928 0.020 . 1 . . . . 106 SER HA . 17405 1 1062 . 1 1 88 88 SER HB2 H 1 3.783 0.008 . 2 . . . . 106 SER HB2 . 17405 1 1063 . 1 1 88 88 SER HB3 H 1 3.013 0.010 . 2 . . . . 106 SER HB3 . 17405 1 1064 . 1 1 88 88 SER C C 13 172.879 0.000 . 1 . . . . 106 SER C . 17405 1 1065 . 1 1 88 88 SER CA C 13 60.156 0.159 . 1 . . . . 106 SER CA . 17405 1 1066 . 1 1 88 88 SER CB C 13 66.004 0.124 . 1 . . . . 106 SER CB . 17405 1 1067 . 1 1 88 88 SER N N 15 121.427 0.071 . 1 . . . . 106 SER N . 17405 1 1068 . 1 1 89 89 SER H H 1 8.001 0.015 . 1 . . . . 107 SER H . 17405 1 1069 . 1 1 89 89 SER HA H 1 4.260 0.005 . 1 . . . . 107 SER HA . 17405 1 1070 . 1 1 89 89 SER HB2 H 1 4.303 0.008 . 2 . . . . 107 SER HB2 . 17405 1 1071 . 1 1 89 89 SER HB3 H 1 3.930 0.004 . 2 . . . . 107 SER HB3 . 17405 1 1072 . 1 1 89 89 SER C C 13 172.946 0.009 . 1 . . . . 107 SER C . 17405 1 1073 . 1 1 89 89 SER CA C 13 60.026 0.111 . 1 . . . . 107 SER CA . 17405 1 1074 . 1 1 89 89 SER CB C 13 64.965 0.142 . 1 . . . . 107 SER CB . 17405 1 1075 . 1 1 89 89 SER N N 15 109.343 0.098 . 1 . . . . 107 SER N . 17405 1 1076 . 1 1 90 90 ILE H H 1 9.102 0.014 . 1 . . . . 108 ILE H . 17405 1 1077 . 1 1 90 90 ILE HA H 1 5.462 0.012 . 1 . . . . 108 ILE HA . 17405 1 1078 . 1 1 90 90 ILE HB H 1 1.868 0.011 . 1 . . . . 108 ILE HB . 17405 1 1079 . 1 1 90 90 ILE HG12 H 1 1.539 0.008 . 2 . . . . 108 ILE HG12 . 17405 1 1080 . 1 1 90 90 ILE HG13 H 1 1.085 0.013 . 2 . . . . 108 ILE HG13 . 17405 1 1081 . 1 1 90 90 ILE HG21 H 1 1.249 0.011 . 1 . . . . 108 ILE QG2 . 17405 1 1082 . 1 1 90 90 ILE HG22 H 1 1.249 0.011 . 1 . . . . 108 ILE QG2 . 17405 1 1083 . 1 1 90 90 ILE HG23 H 1 1.249 0.011 . 1 . . . . 108 ILE QG2 . 17405 1 1084 . 1 1 90 90 ILE HD11 H 1 0.796 0.009 . 1 . . . . 108 ILE QD1 . 17405 1 1085 . 1 1 90 90 ILE HD12 H 1 0.796 0.009 . 1 . . . . 108 ILE QD1 . 17405 1 1086 . 1 1 90 90 ILE HD13 H 1 0.796 0.009 . 1 . . . . 108 ILE QD1 . 17405 1 1087 . 1 1 90 90 ILE C C 13 174.230 0.000 . 1 . . . . 108 ILE C . 17405 1 1088 . 1 1 90 90 ILE CA C 13 61.277 0.060 . 1 . . . . 108 ILE CA . 17405 1 1089 . 1 1 90 90 ILE CB C 13 44.475 0.111 . 1 . . . . 108 ILE CB . 17405 1 1090 . 1 1 90 90 ILE CG1 C 13 28.342 0.158 . 1 . . . . 108 ILE CG1 . 17405 1 1091 . 1 1 90 90 ILE CG2 C 13 18.977 0.134 . 1 . . . . 108 ILE CG2 . 17405 1 1092 . 1 1 90 90 ILE CD1 C 13 14.468 0.033 . 1 . . . . 108 ILE CD1 . 17405 1 1093 . 1 1 90 90 ILE N N 15 118.441 0.050 . 1 . . . . 108 ILE N . 17405 1 1094 . 1 1 91 91 LYS H H 1 10.199 0.004 . 1 . . . . 109 LYS H . 17405 1 1095 . 1 1 91 91 LYS HA H 1 5.069 0.014 . 1 . . . . 109 LYS HA . 17405 1 1096 . 1 1 91 91 LYS HB2 H 1 2.102 0.013 . 2 . . . . 109 LYS HB2 . 17405 1 1097 . 1 1 91 91 LYS HB3 H 1 1.726 0.015 . 2 . . . . 109 LYS HB3 . 17405 1 1098 . 1 1 91 91 LYS HG2 H 1 1.466 0.007 . 2 . . . . 109 LYS HG2 . 17405 1 1099 . 1 1 91 91 LYS HG3 H 1 1.108 0.016 . 2 . . . . 109 LYS HG3 . 17405 1 1100 . 1 1 91 91 LYS HD2 H 1 1.409 0.007 . 2 . . . . 109 LYS HD2 . 17405 1 1101 . 1 1 91 91 LYS HD3 H 1 1.281 0.012 . 2 . . . . 109 LYS HD3 . 17405 1 1102 . 1 1 91 91 LYS HE2 H 1 2.275 0.009 . 2 . . . . 109 LYS HE2 . 17405 1 1103 . 1 1 91 91 LYS HE3 H 1 2.096 0.008 . 2 . . . . 109 LYS HE3 . 17405 1 1104 . 1 1 91 91 LYS C C 13 173.441 0.004 . 1 . . . . 109 LYS C . 17405 1 1105 . 1 1 91 91 LYS CA C 13 54.662 0.025 . 1 . . . . 109 LYS CA . 17405 1 1106 . 1 1 91 91 LYS CB C 13 38.291 0.079 . 1 . . . . 109 LYS CB . 17405 1 1107 . 1 1 91 91 LYS CG C 13 25.753 0.165 . 1 . . . . 109 LYS CG . 17405 1 1108 . 1 1 91 91 LYS CD C 13 29.553 0.079 . 1 . . . . 109 LYS CD . 17405 1 1109 . 1 1 91 91 LYS CE C 13 41.404 0.135 . 1 . . . . 109 LYS CE . 17405 1 1110 . 1 1 91 91 LYS N N 15 128.619 0.151 . 1 . . . . 109 LYS N . 17405 1 1111 . 1 1 92 92 ARG H H 1 8.767 0.005 . 1 . . . . 110 ARG H . 17405 1 1112 . 1 1 92 92 ARG HA H 1 3.448 0.012 . 1 . . . . 110 ARG HA . 17405 1 1113 . 1 1 92 92 ARG HB2 H 1 1.469 0.012 . 2 . . . . 110 ARG HB2 . 17405 1 1114 . 1 1 92 92 ARG HB3 H 1 0.601 0.011 . 2 . . . . 110 ARG HB3 . 17405 1 1115 . 1 1 92 92 ARG HG2 H 1 0.146 0.010 . 2 . . . . 110 ARG HG2 . 17405 1 1116 . 1 1 92 92 ARG HG3 H 1 0.806 0.016 . 2 . . . . 110 ARG HG3 . 17405 1 1117 . 1 1 92 92 ARG HD2 H 1 2.899 0.011 . 2 . . . . 110 ARG HD2 . 17405 1 1118 . 1 1 92 92 ARG HD3 H 1 2.604 0.013 . 2 . . . . 110 ARG HD3 . 17405 1 1119 . 1 1 92 92 ARG C C 13 174.993 0.004 . 1 . . . . 110 ARG C . 17405 1 1120 . 1 1 92 92 ARG CA C 13 55.923 0.127 . 1 . . . . 110 ARG CA . 17405 1 1121 . 1 1 92 92 ARG CB C 13 30.685 0.083 . 1 . . . . 110 ARG CB . 17405 1 1122 . 1 1 92 92 ARG CG C 13 26.921 0.161 . 1 . . . . 110 ARG CG . 17405 1 1123 . 1 1 92 92 ARG CD C 13 43.382 0.160 . 1 . . . . 110 ARG CD . 17405 1 1124 . 1 1 92 92 ARG N N 15 128.991 0.155 . 1 . . . . 110 ARG N . 17405 1 1125 . 1 1 93 93 CYS H H 1 8.759 0.021 . 1 . . . . 111 CYS H . 17405 1 1126 . 1 1 93 93 CYS HA H 1 5.226 0.011 . 1 . . . . 111 CYS HA . 17405 1 1127 . 1 1 93 93 CYS HB2 H 1 3.347 0.018 . 2 . . . . 111 CYS HB2 . 17405 1 1128 . 1 1 93 93 CYS HB3 H 1 3.104 0.007 . 2 . . . . 111 CYS HB3 . 17405 1 1129 . 1 1 93 93 CYS C C 13 172.105 0.008 . 1 . . . . 111 CYS C . 17405 1 1130 . 1 1 93 93 CYS CA C 13 55.686 0.082 . 1 . . . . 111 CYS CA . 17405 1 1131 . 1 1 93 93 CYS CB C 13 49.266 0.130 . 1 . . . . 111 CYS CB . 17405 1 1132 . 1 1 93 93 CYS N N 15 127.900 0.141 . 1 . . . . 111 CYS N . 17405 1 1133 . 1 1 94 94 ILE H H 1 8.514 0.018 . 1 . . . . 112 ILE H . 17405 1 1134 . 1 1 94 94 ILE HA H 1 4.871 0.016 . 1 . . . . 112 ILE HA . 17405 1 1135 . 1 1 94 94 ILE HB H 1 1.703 0.008 . 1 . . . . 112 ILE HB . 17405 1 1136 . 1 1 94 94 ILE HG12 H 1 1.389 0.016 . 2 . . . . 112 ILE HG12 . 17405 1 1137 . 1 1 94 94 ILE HG13 H 1 1.011 0.010 . 2 . . . . 112 ILE HG13 . 17405 1 1138 . 1 1 94 94 ILE HG21 H 1 0.748 0.014 . 1 . . . . 112 ILE QG2 . 17405 1 1139 . 1 1 94 94 ILE HG22 H 1 0.748 0.014 . 1 . . . . 112 ILE QG2 . 17405 1 1140 . 1 1 94 94 ILE HG23 H 1 0.748 0.014 . 1 . . . . 112 ILE QG2 . 17405 1 1141 . 1 1 94 94 ILE HD11 H 1 0.709 0.015 . 1 . . . . 112 ILE QD1 . 17405 1 1142 . 1 1 94 94 ILE HD12 H 1 0.709 0.015 . 1 . . . . 112 ILE QD1 . 17405 1 1143 . 1 1 94 94 ILE HD13 H 1 0.709 0.015 . 1 . . . . 112 ILE QD1 . 17405 1 1144 . 1 1 94 94 ILE C C 13 173.871 0.013 . 1 . . . . 112 ILE C . 17405 1 1145 . 1 1 94 94 ILE CA C 13 59.675 0.107 . 1 . . . . 112 ILE CA . 17405 1 1146 . 1 1 94 94 ILE CB C 13 42.839 0.107 . 1 . . . . 112 ILE CB . 17405 1 1147 . 1 1 94 94 ILE CG1 C 13 26.764 0.139 . 1 . . . . 112 ILE CG1 . 17405 1 1148 . 1 1 94 94 ILE CG2 C 13 18.878 0.169 . 1 . . . . 112 ILE CG2 . 17405 1 1149 . 1 1 94 94 ILE CD1 C 13 14.249 0.081 . 1 . . . . 112 ILE CD1 . 17405 1 1150 . 1 1 94 94 ILE N N 15 117.815 0.203 . 1 . . . . 112 ILE N . 17405 1 1151 . 1 1 95 95 GLN H H 1 9.232 0.010 . 1 . . . . 113 GLN H . 17405 1 1152 . 1 1 95 95 GLN HA H 1 5.355 0.011 . 1 . . . . 113 GLN HA . 17405 1 1153 . 1 1 95 95 GLN HB2 H 1 2.040 0.015 . 2 . . . . 113 GLN HB2 . 17405 1 1154 . 1 1 95 95 GLN HB3 H 1 1.553 0.010 . 2 . . . . 113 GLN HB3 . 17405 1 1155 . 1 1 95 95 GLN HG2 H 1 2.381 0.011 . 2 . . . . 113 GLN HG2 . 17405 1 1156 . 1 1 95 95 GLN HG3 H 1 1.913 0.009 . 2 . . . . 113 GLN HG3 . 17405 1 1157 . 1 1 95 95 GLN HE21 H 1 7.336 0.008 . 2 . . . . 113 GLN HE21 . 17405 1 1158 . 1 1 95 95 GLN HE22 H 1 7.070 0.015 . 2 . . . . 113 GLN HE22 . 17405 1 1159 . 1 1 95 95 GLN C C 13 176.228 0.007 . 1 . . . . 113 GLN C . 17405 1 1160 . 1 1 95 95 GLN CA C 13 53.607 0.039 . 1 . . . . 113 GLN CA . 17405 1 1161 . 1 1 95 95 GLN CB C 13 31.777 0.146 . 1 . . . . 113 GLN CB . 17405 1 1162 . 1 1 95 95 GLN CG C 13 33.748 0.113 . 1 . . . . 113 GLN CG . 17405 1 1163 . 1 1 95 95 GLN N N 15 123.836 0.091 . 1 . . . . 113 GLN N . 17405 1 1164 . 1 1 95 95 GLN NE2 N 15 112.558 0.168 . 1 . . . . 113 GLN NE2 . 17405 1 1165 . 1 1 96 96 THR H H 1 9.077 0.013 . 1 . . . . 114 THR H . 17405 1 1166 . 1 1 96 96 THR HA H 1 4.520 0.010 . 1 . . . . 114 THR HA . 17405 1 1167 . 1 1 96 96 THR HB H 1 4.679 0.015 . 1 . . . . 114 THR HB . 17405 1 1168 . 1 1 96 96 THR HG21 H 1 1.205 0.006 . 1 . . . . 114 THR QG2 . 17405 1 1169 . 1 1 96 96 THR HG22 H 1 1.205 0.006 . 1 . . . . 114 THR QG2 . 17405 1 1170 . 1 1 96 96 THR HG23 H 1 1.205 0.006 . 1 . . . . 114 THR QG2 . 17405 1 1171 . 1 1 96 96 THR C C 13 177.136 0.000 . 1 . . . . 114 THR C . 17405 1 1172 . 1 1 96 96 THR CA C 13 61.119 0.205 . 1 . . . . 114 THR CA . 17405 1 1173 . 1 1 96 96 THR CB C 13 70.867 0.074 . 1 . . . . 114 THR CB . 17405 1 1174 . 1 1 96 96 THR CG2 C 13 22.285 0.042 . 1 . . . . 114 THR CG2 . 17405 1 1175 . 1 1 96 96 THR N N 15 118.262 0.101 . 1 . . . . 114 THR N . 17405 1 1176 . 1 1 97 97 LYS HA H 1 4.039 0.011 . 1 . . . . 115 LYS HA . 17405 1 1177 . 1 1 97 97 LYS HB2 H 1 1.910 0.015 . 2 . . . . 115 LYS HB2 . 17405 1 1178 . 1 1 97 97 LYS HB3 H 1 1.869 0.021 . 2 . . . . 115 LYS HB3 . 17405 1 1179 . 1 1 97 97 LYS HG2 H 1 1.478 0.004 . 1 . . . . 115 LYS HG2 . 17405 1 1180 . 1 1 97 97 LYS HG3 H 1 1.478 0.004 . 1 . . . . 115 LYS HG3 . 17405 1 1181 . 1 1 97 97 LYS HD2 H 1 1.699 0.005 . 1 . . . . 115 LYS HD2 . 17405 1 1182 . 1 1 97 97 LYS HD3 H 1 1.699 0.005 . 1 . . . . 115 LYS HD3 . 17405 1 1183 . 1 1 97 97 LYS HE2 H 1 3.008 0.003 . 1 . . . . 115 LYS HE2 . 17405 1 1184 . 1 1 97 97 LYS HE3 H 1 3.008 0.003 . 1 . . . . 115 LYS HE3 . 17405 1 1185 . 1 1 97 97 LYS CA C 13 59.242 0.165 . 1 . . . . 115 LYS CA . 17405 1 1186 . 1 1 97 97 LYS CB C 13 32.097 0.056 . 1 . . . . 115 LYS CB . 17405 1 1187 . 1 1 97 97 LYS CG C 13 24.698 0.216 . 1 . . . . 115 LYS CG . 17405 1 1188 . 1 1 97 97 LYS CD C 13 29.064 0.094 . 1 . . . . 115 LYS CD . 17405 1 1189 . 1 1 97 97 LYS CE C 13 42.118 0.150 . 1 . . . . 115 LYS CE . 17405 1 1190 . 1 1 98 98 ASP H H 1 7.974 0.010 . 1 . . . . 116 ASP H . 17405 1 1191 . 1 1 98 98 ASP HA H 1 4.612 0.012 . 1 . . . . 116 ASP HA . 17405 1 1192 . 1 1 98 98 ASP HB2 H 1 2.736 0.010 . 1 . . . . 116 ASP HB2 . 17405 1 1193 . 1 1 98 98 ASP HB3 H 1 2.736 0.010 . 1 . . . . 116 ASP HB3 . 17405 1 1194 . 1 1 98 98 ASP C C 13 176.418 0.002 . 1 . . . . 116 ASP C . 17405 1 1195 . 1 1 98 98 ASP CA C 13 53.832 0.136 . 1 . . . . 116 ASP CA . 17405 1 1196 . 1 1 98 98 ASP CB C 13 40.415 0.190 . 1 . . . . 116 ASP CB . 17405 1 1197 . 1 1 98 98 ASP N N 15 116.000 0.086 . 1 . . . . 116 ASP N . 17405 1 1198 . 1 1 99 99 GLY H H 1 8.148 0.016 . 1 . . . . 117 GLY H . 17405 1 1199 . 1 1 99 99 GLY HA2 H 1 4.286 0.011 . 2 . . . . 117 GLY HA2 . 17405 1 1200 . 1 1 99 99 GLY HA3 H 1 3.536 0.009 . 2 . . . . 117 GLY HA3 . 17405 1 1201 . 1 1 99 99 GLY C C 13 174.433 0.018 . 1 . . . . 117 GLY C . 17405 1 1202 . 1 1 99 99 GLY CA C 13 45.293 0.080 . 1 . . . . 117 GLY CA . 17405 1 1203 . 1 1 99 99 GLY N N 15 108.249 0.075 . 1 . . . . 117 GLY N . 17405 1 1204 . 1 1 100 100 LYS H H 1 7.420 0.005 . 1 . . . . 118 LYS H . 17405 1 1205 . 1 1 100 100 LYS HA H 1 4.183 0.005 . 1 . . . . 118 LYS HA . 17405 1 1206 . 1 1 100 100 LYS HB2 H 1 1.748 0.009 . 1 . . . . 118 LYS HB2 . 17405 1 1207 . 1 1 100 100 LYS HB3 H 1 1.748 0.009 . 1 . . . . 118 LYS HB3 . 17405 1 1208 . 1 1 100 100 LYS HG2 H 1 1.322 0.007 . 2 . . . . 118 LYS HG2 . 17405 1 1209 . 1 1 100 100 LYS HG3 H 1 1.240 0.016 . 2 . . . . 118 LYS HG3 . 17405 1 1210 . 1 1 100 100 LYS HD2 H 1 1.632 0.015 . 1 . . . . 118 LYS HD2 . 17405 1 1211 . 1 1 100 100 LYS HD3 H 1 1.632 0.015 . 1 . . . . 118 LYS HD3 . 17405 1 1212 . 1 1 100 100 LYS C C 13 175.042 0.008 . 1 . . . . 118 LYS C . 17405 1 1213 . 1 1 100 100 LYS CA C 13 56.413 0.071 . 1 . . . . 118 LYS CA . 17405 1 1214 . 1 1 100 100 LYS CB C 13 32.909 0.035 . 1 . . . . 118 LYS CB . 17405 1 1215 . 1 1 100 100 LYS CG C 13 25.160 0.139 . 1 . . . . 118 LYS CG . 17405 1 1216 . 1 1 100 100 LYS CD C 13 29.097 0.150 . 1 . . . . 118 LYS CD . 17405 1 1217 . 1 1 100 100 LYS CE C 13 42.327 0.150 . 1 . . . . 118 LYS CE . 17405 1 1218 . 1 1 100 100 LYS N N 15 122.590 0.105 . 1 . . . . 118 LYS N . 17405 1 1219 . 1 1 101 101 VAL H H 1 8.362 0.009 . 1 . . . . 119 VAL H . 17405 1 1220 . 1 1 101 101 VAL HA H 1 4.676 0.012 . 1 . . . . 119 VAL HA . 17405 1 1221 . 1 1 101 101 VAL HB H 1 1.655 0.006 . 1 . . . . 119 VAL HB . 17405 1 1222 . 1 1 101 101 VAL HG11 H 1 0.621 0.008 . 1 . . . . 119 VAL QG1 . 17405 1 1223 . 1 1 101 101 VAL HG12 H 1 0.621 0.008 . 1 . . . . 119 VAL QG1 . 17405 1 1224 . 1 1 101 101 VAL HG13 H 1 0.621 0.008 . 1 . . . . 119 VAL QG1 . 17405 1 1225 . 1 1 101 101 VAL HG21 H 1 0.000 0.008 . 1 . . . . 119 VAL QG2 . 17405 1 1226 . 1 1 101 101 VAL HG22 H 1 0.000 0.008 . 1 . . . . 119 VAL QG2 . 17405 1 1227 . 1 1 101 101 VAL HG23 H 1 0.000 0.008 . 1 . . . . 119 VAL QG2 . 17405 1 1228 . 1 1 101 101 VAL C C 13 176.231 0.006 . 1 . . . . 119 VAL C . 17405 1 1229 . 1 1 101 101 VAL CA C 13 61.928 0.072 . 1 . . . . 119 VAL CA . 17405 1 1230 . 1 1 101 101 VAL CB C 13 32.478 0.047 . 1 . . . . 119 VAL CB . 17405 1 1231 . 1 1 101 101 VAL CG1 C 13 22.523 0.130 . 1 . . . . 119 VAL CG1 . 17405 1 1232 . 1 1 101 101 VAL CG2 C 13 20.038 0.039 . 1 . . . . 119 VAL CG2 . 17405 1 1233 . 1 1 101 101 VAL N N 15 123.781 0.077 . 1 . . . . 119 VAL N . 17405 1 1234 . 1 1 102 102 GLU H H 1 9.101 0.007 . 1 . . . . 120 GLU H . 17405 1 1235 . 1 1 102 102 GLU HA H 1 4.736 0.000 . 1 . . . . 120 GLU HA . 17405 1 1236 . 1 1 102 102 GLU HB2 H 1 1.909 0.015 . 2 . . . . 120 GLU HB2 . 17405 1 1237 . 1 1 102 102 GLU HB3 H 1 1.766 0.003 . 2 . . . . 120 GLU HB3 . 17405 1 1238 . 1 1 102 102 GLU HG2 H 1 2.083 0.017 . 2 . . . . 120 GLU HG2 . 17405 1 1239 . 1 1 102 102 GLU HG3 H 1 2.075 0.010 . 2 . . . . 120 GLU HG3 . 17405 1 1240 . 1 1 102 102 GLU C C 13 175.731 0.000 . 1 . . . . 120 GLU C . 17405 1 1241 . 1 1 102 102 GLU CA C 13 54.917 0.045 . 1 . . . . 120 GLU CA . 17405 1 1242 . 1 1 102 102 GLU CB C 13 32.830 0.147 . 1 . . . . 120 GLU CB . 17405 1 1243 . 1 1 102 102 GLU CG C 13 36.061 0.150 . 1 . . . . 120 GLU CG . 17405 1 1244 . 1 1 102 102 GLU N N 15 128.008 0.035 . 1 . . . . 120 GLU N . 17405 1 1245 . 1 1 103 103 CYS H H 1 8.550 0.007 . 1 . . . . 121 CYS H . 17405 1 1246 . 1 1 103 103 CYS HA H 1 4.962 0.007 . 1 . . . . 121 CYS HA . 17405 1 1247 . 1 1 103 103 CYS HB2 H 1 2.978 0.020 . 2 . . . . 121 CYS HB2 . 17405 1 1248 . 1 1 103 103 CYS HB3 H 1 2.926 0.004 . 2 . . . . 121 CYS HB3 . 17405 1 1249 . 1 1 103 103 CYS C C 13 173.852 0.001 . 1 . . . . 121 CYS C . 17405 1 1250 . 1 1 103 103 CYS CA C 13 53.809 0.092 . 1 . . . . 121 CYS CA . 17405 1 1251 . 1 1 103 103 CYS CB C 13 44.763 0.094 . 1 . . . . 121 CYS CB . 17405 1 1252 . 1 1 103 103 CYS N N 15 118.703 0.148 . 1 . . . . 121 CYS N . 17405 1 1253 . 1 1 104 104 ILE H H 1 8.537 0.011 . 1 . . . . 122 ILE H . 17405 1 1254 . 1 1 104 104 ILE HA H 1 4.184 0.009 . 1 . . . . 122 ILE HA . 17405 1 1255 . 1 1 104 104 ILE HB H 1 1.857 0.006 . 1 . . . . 122 ILE HB . 17405 1 1256 . 1 1 104 104 ILE HG12 H 1 1.400 0.010 . 2 . . . . 122 ILE HG12 . 17405 1 1257 . 1 1 104 104 ILE HG13 H 1 1.146 0.013 . 2 . . . . 122 ILE HG13 . 17405 1 1258 . 1 1 104 104 ILE HG21 H 1 0.880 0.004 . 1 . . . . 122 ILE QG2 . 17405 1 1259 . 1 1 104 104 ILE HG22 H 1 0.880 0.004 . 1 . . . . 122 ILE QG2 . 17405 1 1260 . 1 1 104 104 ILE HG23 H 1 0.880 0.004 . 1 . . . . 122 ILE QG2 . 17405 1 1261 . 1 1 104 104 ILE HD11 H 1 0.804 0.009 . 1 . . . . 122 ILE QD1 . 17405 1 1262 . 1 1 104 104 ILE HD12 H 1 0.804 0.009 . 1 . . . . 122 ILE QD1 . 17405 1 1263 . 1 1 104 104 ILE HD13 H 1 0.804 0.009 . 1 . . . . 122 ILE QD1 . 17405 1 1264 . 1 1 104 104 ILE C C 13 175.895 0.000 . 1 . . . . 122 ILE C . 17405 1 1265 . 1 1 104 104 ILE CA C 13 61.286 0.092 . 1 . . . . 122 ILE CA . 17405 1 1266 . 1 1 104 104 ILE CB C 13 38.742 0.091 . 1 . . . . 122 ILE CB . 17405 1 1267 . 1 1 104 104 ILE CG1 C 13 27.194 0.077 . 1 . . . . 122 ILE CG1 . 17405 1 1268 . 1 1 104 104 ILE CG2 C 13 17.600 0.170 . 1 . . . . 122 ILE CG2 . 17405 1 1269 . 1 1 104 104 ILE CD1 C 13 12.867 0.027 . 1 . . . . 122 ILE CD1 . 17405 1 1270 . 1 1 104 104 ILE N N 15 122.626 0.164 . 1 . . . . 122 ILE N . 17405 1 1271 . 1 1 105 105 ASN HA H 1 4.687 0.008 . 1 . . . . 123 ASN HA . 17405 1 1272 . 1 1 105 105 ASN HB2 H 1 2.842 0.007 . 2 . . . . 123 ASN HB2 . 17405 1 1273 . 1 1 105 105 ASN HB3 H 1 2.697 0.001 . 2 . . . . 123 ASN HB3 . 17405 1 1274 . 1 1 105 105 ASN HD21 H 1 7.585 0.015 . 2 . . . . 123 ASN HD21 . 17405 1 1275 . 1 1 105 105 ASN HD22 H 1 6.878 0.005 . 2 . . . . 123 ASN HD22 . 17405 1 1276 . 1 1 105 105 ASN C C 13 173.959 0.001 . 1 . . . . 123 ASN C . 17405 1 1277 . 1 1 105 105 ASN CA C 13 53.698 0.225 . 1 . . . . 123 ASN CA . 17405 1 1278 . 1 1 105 105 ASN CB C 13 38.781 0.024 . 1 . . . . 123 ASN CB . 17405 1 1279 . 1 1 105 105 ASN ND2 N 15 113.215 0.095 . 1 . . . . 123 ASN ND2 . 17405 1 1280 . 1 1 106 106 GLN H H 1 7.895 0.008 . 1 . . . . 124 GLN H . 17405 1 1281 . 1 1 106 106 GLN HA H 1 4.158 0.011 . 1 . . . . 124 GLN HA . 17405 1 1282 . 1 1 106 106 GLN HB2 H 1 2.098 0.002 . 2 . . . . 124 GLN HB2 . 17405 1 1283 . 1 1 106 106 GLN HB3 H 1 1.894 0.012 . 2 . . . . 124 GLN HB3 . 17405 1 1284 . 1 1 106 106 GLN HG2 H 1 2.250 0.008 . 1 . . . . 124 GLN HG2 . 17405 1 1285 . 1 1 106 106 GLN HG3 H 1 2.250 0.008 . 1 . . . . 124 GLN HG3 . 17405 1 1286 . 1 1 106 106 GLN HE21 H 1 7.506 0.015 . 2 . . . . 124 GLN HE21 . 17405 1 1287 . 1 1 106 106 GLN HE22 H 1 6.828 0.018 . 2 . . . . 124 GLN HE22 . 17405 1 1288 . 1 1 106 106 GLN C C 13 180.237 0.000 . 1 . . . . 124 GLN C . 17405 1 1289 . 1 1 106 106 GLN CA C 13 57.275 0.068 . 1 . . . . 124 GLN CA . 17405 1 1290 . 1 1 106 106 GLN CB C 13 30.577 0.218 . 1 . . . . 124 GLN CB . 17405 1 1291 . 1 1 106 106 GLN CG C 13 34.032 0.150 . 1 . . . . 124 GLN CG . 17405 1 1292 . 1 1 106 106 GLN N N 15 125.580 0.138 . 1 . . . . 124 GLN N . 17405 1 1293 . 1 1 106 106 GLN NE2 N 15 112.420 0.176 . 1 . . . . 124 GLN NE2 . 17405 1 stop_ save_