data_15512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15512 _Entry.Title ; 1H, 13C, and 15N NMR chemical shift assignments of the palladin Ig3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-08 _Entry.Accession_date 2007-10-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 Richard Dixon . 'D. S.' IV 15512 2 Andrew Rachlin . S. . 15512 3 Carol Otey . A. . 15512 4 Sharon Campbell . L. . 15512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 15512 '15N chemical shifts' 112 15512 '1H chemical shifts' 701 15512 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-21 2007-10-08 update BMRB 'add PubMed ID' 15512 2 . . 2008-06-05 2007-10-08 update BMRB 'complete entry citation' 15512 1 . . 2008-03-31 2007-10-08 original author 'original release' 15512 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQR 'BMRB Entry Tracking System' 15512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636923 _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C NMR chemical shift assignments for the Ig3 domain of palladin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 51 _Citation.Page_last 53 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Richard Dixon . D.S. . 15512 1 2 Sharon Campbell . L. . 15512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15512 _Assembly.ID 1 _Assembly.Name 'Palladin Ig3 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11975 _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 'molecule 1' 1 $Palladin_Ig3_domain A . yes native no no . . . 15512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Palladin_Ig3_domain _Entity.Sf_category entity _Entity.Sf_framecode Palladin_Ig3_domain _Entity.Entry_ID 15512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Palladin_Ig3_domain _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 ; GGSNATAPFFEMKLKHYKIF EGMPVTFTCRVAGNPKPKIY WFKDGKQISPKSDHYTIQRD LDGTCSLHTTASTLDDDGNY TIMAANPQGRVSCTGRLMVQ AVNQRGRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are non-native amino acids resulting from the cloning and purification strategy' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11975 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DM2 . "Solution Structure Of The First Ig Domain Of Human Palladin" . . . . . 89.81 110 98.97 100.00 6.29e-67 . . . . 15512 1 2 no PDB 2LQR . "Nmr Structure Of Ig3 Domain Of Palladin" . . . . . 100.00 108 100.00 100.00 3.29e-75 . . . . 15512 1 3 no GB EDL28653 . "mCG116606, isoform CRA_a, partial [Mus musculus]" . . . . . 79.63 298 98.84 98.84 3.78e-56 . . . . 15512 1 4 no GB EDL28654 . "mCG116606, isoform CRA_b, partial [Mus musculus]" . . . . . 79.63 509 98.84 98.84 1.57e-50 . . . . 15512 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15512 1 2 . GLY . 15512 1 3 . SER . 15512 1 4 . ASN . 15512 1 5 . ALA . 15512 1 6 . THR . 15512 1 7 . ALA . 15512 1 8 . PRO . 15512 1 9 . PHE . 15512 1 10 . PHE . 15512 1 11 . GLU . 15512 1 12 . MET . 15512 1 13 . LYS . 15512 1 14 . LEU . 15512 1 15 . LYS . 15512 1 16 . HIS . 15512 1 17 . TYR . 15512 1 18 . LYS . 15512 1 19 . ILE . 15512 1 20 . PHE . 15512 1 21 . GLU . 15512 1 22 . GLY . 15512 1 23 . MET . 15512 1 24 . PRO . 15512 1 25 . VAL . 15512 1 26 . THR . 15512 1 27 . PHE . 15512 1 28 . THR . 15512 1 29 . CYS . 15512 1 30 . ARG . 15512 1 31 . VAL . 15512 1 32 . ALA . 15512 1 33 . GLY . 15512 1 34 . ASN . 15512 1 35 . PRO . 15512 1 36 . LYS . 15512 1 37 . PRO . 15512 1 38 . LYS . 15512 1 39 . ILE . 15512 1 40 . TYR . 15512 1 41 . TRP . 15512 1 42 . PHE . 15512 1 43 . LYS . 15512 1 44 . ASP . 15512 1 45 . GLY . 15512 1 46 . LYS . 15512 1 47 . GLN . 15512 1 48 . ILE . 15512 1 49 . SER . 15512 1 50 . PRO . 15512 1 51 . LYS . 15512 1 52 . SER . 15512 1 53 . ASP . 15512 1 54 . HIS . 15512 1 55 . TYR . 15512 1 56 . THR . 15512 1 57 . ILE . 15512 1 58 . GLN . 15512 1 59 . ARG . 15512 1 60 . ASP . 15512 1 61 . LEU . 15512 1 62 . ASP . 15512 1 63 . GLY . 15512 1 64 . THR . 15512 1 65 . CYS . 15512 1 66 . SER . 15512 1 67 . LEU . 15512 1 68 . HIS . 15512 1 69 . THR . 15512 1 70 . THR . 15512 1 71 . ALA . 15512 1 72 . SER . 15512 1 73 . THR . 15512 1 74 . LEU . 15512 1 75 . ASP . 15512 1 76 . ASP . 15512 1 77 . ASP . 15512 1 78 . GLY . 15512 1 79 . ASN . 15512 1 80 . TYR . 15512 1 81 . THR . 15512 1 82 . ILE . 15512 1 83 . MET . 15512 1 84 . ALA . 15512 1 85 . ALA . 15512 1 86 . ASN . 15512 1 87 . PRO . 15512 1 88 . GLN . 15512 1 89 . GLY . 15512 1 90 . ARG . 15512 1 91 . VAL . 15512 1 92 . SER . 15512 1 93 . CYS . 15512 1 94 . THR . 15512 1 95 . GLY . 15512 1 96 . ARG . 15512 1 97 . LEU . 15512 1 98 . MET . 15512 1 99 . VAL . 15512 1 100 . GLN . 15512 1 101 . ALA . 15512 1 102 . VAL . 15512 1 103 . ASN . 15512 1 104 . GLN . 15512 1 105 . ARG . 15512 1 106 . GLY . 15512 1 107 . ARG . 15512 1 108 . SER . 15512 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 15512 1 . GLY 2 2 15512 1 . SER 3 3 15512 1 . ASN 4 4 15512 1 . ALA 5 5 15512 1 . THR 6 6 15512 1 . ALA 7 7 15512 1 . PRO 8 8 15512 1 . PHE 9 9 15512 1 . PHE 10 10 15512 1 . GLU 11 11 15512 1 . MET 12 12 15512 1 . LYS 13 13 15512 1 . LEU 14 14 15512 1 . LYS 15 15 15512 1 . HIS 16 16 15512 1 . TYR 17 17 15512 1 . LYS 18 18 15512 1 . ILE 19 19 15512 1 . PHE 20 20 15512 1 . GLU 21 21 15512 1 . GLY 22 22 15512 1 . MET 23 23 15512 1 . PRO 24 24 15512 1 . VAL 25 25 15512 1 . THR 26 26 15512 1 . PHE 27 27 15512 1 . THR 28 28 15512 1 . CYS 29 29 15512 1 . ARG 30 30 15512 1 . VAL 31 31 15512 1 . ALA 32 32 15512 1 . GLY 33 33 15512 1 . ASN 34 34 15512 1 . PRO 35 35 15512 1 . LYS 36 36 15512 1 . PRO 37 37 15512 1 . LYS 38 38 15512 1 . ILE 39 39 15512 1 . TYR 40 40 15512 1 . TRP 41 41 15512 1 . PHE 42 42 15512 1 . LYS 43 43 15512 1 . ASP 44 44 15512 1 . GLY 45 45 15512 1 . LYS 46 46 15512 1 . GLN 47 47 15512 1 . ILE 48 48 15512 1 . SER 49 49 15512 1 . PRO 50 50 15512 1 . LYS 51 51 15512 1 . SER 52 52 15512 1 . ASP 53 53 15512 1 . HIS 54 54 15512 1 . TYR 55 55 15512 1 . THR 56 56 15512 1 . ILE 57 57 15512 1 . GLN 58 58 15512 1 . ARG 59 59 15512 1 . ASP 60 60 15512 1 . LEU 61 61 15512 1 . ASP 62 62 15512 1 . GLY 63 63 15512 1 . THR 64 64 15512 1 . CYS 65 65 15512 1 . SER 66 66 15512 1 . LEU 67 67 15512 1 . HIS 68 68 15512 1 . THR 69 69 15512 1 . THR 70 70 15512 1 . ALA 71 71 15512 1 . SER 72 72 15512 1 . THR 73 73 15512 1 . LEU 74 74 15512 1 . ASP 75 75 15512 1 . ASP 76 76 15512 1 . ASP 77 77 15512 1 . GLY 78 78 15512 1 . ASN 79 79 15512 1 . TYR 80 80 15512 1 . THR 81 81 15512 1 . ILE 82 82 15512 1 . MET 83 83 15512 1 . ALA 84 84 15512 1 . ALA 85 85 15512 1 . ASN 86 86 15512 1 . PRO 87 87 15512 1 . GLN 88 88 15512 1 . GLY 89 89 15512 1 . ARG 90 90 15512 1 . VAL 91 91 15512 1 . SER 92 92 15512 1 . CYS 93 93 15512 1 . THR 94 94 15512 1 . GLY 95 95 15512 1 . ARG 96 96 15512 1 . LEU 97 97 15512 1 . MET 98 98 15512 1 . VAL 99 99 15512 1 . GLN 100 100 15512 1 . ALA 101 101 15512 1 . VAL 102 102 15512 1 . ASN 103 103 15512 1 . GLN 104 104 15512 1 . ARG 105 105 15512 1 . GLY 106 106 15512 1 . ARG 107 107 15512 1 . SER 108 108 15512 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 15512 _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 $Palladin_Ig3_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15512 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 15512 _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 $Palladin_Ig3_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'BL21(DE3) codonPlus RIPL' . . . . . . . . . . . . . . pMAL-c2x . . . 'engineered to have a TEV cleavage site (ENLYFQG)' . . 15512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15512 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Palladin Ig3 domain' '[U-98% 13C; U-98% 15N]' . . 1 $Palladin_Ig3_domain . . 0.3-1.8 . . mM . . . . 15512 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15512 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15512 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15512 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15512 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15512 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 15512 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 15512 1 pressure 1 . atm 15512 1 temperature 298 0.1 K 15512 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15512 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15512 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15512 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 15512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15512 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15512 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 'cryogenic probe' . . 15512 1 2 spectrometer_2 Varian INOVA . 600 . . . 15512 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 15512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15512 1 2 '2D 1H-13C HSQC (aliphatic)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 5 '3D C(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 6 '3D HC(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 9 '3D 1H-13C NOESY (aliphatic)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 10 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 11 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 12 '2D 1H-13C HSQC (aromatic)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 1 13 '3D 1H-13C NOESY (aromatic)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15512 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 15512 _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 . . . . . . . . . 15512 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15512 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15512 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 15512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Resolution in NMR spectra, agreement between experiments' _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' . . . 15512 1 2 '2D 1H-13C HSQC (aliphatic)' . . . 15512 1 3 '3D HNCACB' . . . 15512 1 4 '3D HNCO' . . . 15512 1 5 '3D C(CO)NH TOCSY' . . . 15512 1 6 '3D HC(CO)NH TOCSY' . . . 15512 1 7 '3D HCCH-COSY' . . . 15512 1 8 '3D 1H-15N NOESY' . . . 15512 1 9 '3D 1H-13C NOESY (aliphatic)' . . . 15512 1 10 HBCBCGCDHD . . . 15512 1 11 HBCBCGCDCEHE . . . 15512 1 12 '2D 1H-13C HSQC (aromatic)' . . . 15512 1 13 '3D 1H-13C NOESY (aromatic)' . . . 15512 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 H H 1 8.743 0.01 . 1 . . . . 1 GLY HT1 . 15512 1 2 . 1 1 1 1 GLY HA2 H 1 3.898 0.01 . 2 . . . . 1 GLY HA1 . 15512 1 3 . 1 1 1 1 GLY HA3 H 1 3.898 0.01 . 2 . . . . 1 GLY HA2 . 15512 1 4 . 1 1 1 1 GLY C C 13 175.439 0.1 . 1 . . . . 1 GLY C . 15512 1 5 . 1 1 1 1 GLY CA C 13 45.578 0.1 . 1 . . . . 1 GLY CA . 15512 1 6 . 1 1 1 1 GLY N N 15 113.815 0.1 . 1 . . . . 1 GLY N . 15512 1 7 . 1 1 2 2 GLY H H 1 8.624 0.01 . 1 . . . . 2 GLY HN . 15512 1 8 . 1 1 2 2 GLY HA2 H 1 3.998 0.01 . 2 . . . . 2 GLY HA1 . 15512 1 9 . 1 1 2 2 GLY HA3 H 1 3.998 0.01 . 2 . . . . 2 GLY HA2 . 15512 1 10 . 1 1 2 2 GLY C C 13 174.134 0.1 . 1 . . . . 2 GLY C . 15512 1 11 . 1 1 2 2 GLY CA C 13 45.265 0.1 . 1 . . . . 2 GLY CA . 15512 1 12 . 1 1 2 2 GLY N N 15 109.450 0.1 . 1 . . . . 2 GLY N . 15512 1 13 . 1 1 3 3 SER H H 1 8.408 0.01 . 1 . . . . 3 SER HN . 15512 1 14 . 1 1 3 3 SER HA H 1 4.469 0.01 . 1 . . . . 3 SER HA . 15512 1 15 . 1 1 3 3 SER HB2 H 1 3.717 0.01 . 2 . . . . 3 SER HB1 . 15512 1 16 . 1 1 3 3 SER HB3 H 1 3.717 0.01 . 2 . . . . 3 SER HB2 . 15512 1 17 . 1 1 3 3 SER C C 13 174.347 0.1 . 1 . . . . 3 SER C . 15512 1 18 . 1 1 3 3 SER CA C 13 58.133 0.1 . 1 . . . . 3 SER CA . 15512 1 19 . 1 1 3 3 SER CB C 13 63.806 0.1 . 1 . . . . 3 SER CB . 15512 1 20 . 1 1 3 3 SER N N 15 115.635 0.1 . 1 . . . . 3 SER N . 15512 1 21 . 1 1 4 4 ASN H H 1 8.463 0.01 . 1 . . . . 4 ASN HN . 15512 1 22 . 1 1 4 4 ASN HA H 1 4.671 0.01 . 1 . . . . 4 ASN HA . 15512 1 23 . 1 1 4 4 ASN HB2 H 1 2.744 0.01 . 2 . . . . 4 ASN HB1 . 15512 1 24 . 1 1 4 4 ASN HB3 H 1 2.744 0.01 . 2 . . . . 4 ASN HB2 . 15512 1 25 . 1 1 4 4 ASN HD21 H 1 7.538 0.01 . 2 . . . . 4 ASN HD21 . 15512 1 26 . 1 1 4 4 ASN HD22 H 1 6.888 0.01 . 2 . . . . 4 ASN HD22 . 15512 1 27 . 1 1 4 4 ASN C C 13 174.615 0.1 . 1 . . . . 4 ASN C . 15512 1 28 . 1 1 4 4 ASN CA C 13 53.122 0.1 . 1 . . . . 4 ASN CA . 15512 1 29 . 1 1 4 4 ASN CB C 13 38.733 0.1 . 1 . . . . 4 ASN CB . 15512 1 30 . 1 1 4 4 ASN N N 15 120.699 0.1 . 1 . . . . 4 ASN N . 15512 1 31 . 1 1 4 4 ASN ND2 N 15 113.000 0.1 . 1 . . . . 4 ASN ND2 . 15512 1 32 . 1 1 5 5 ALA H H 1 8.158 0.01 . 1 . . . . 5 ALA HN . 15512 1 33 . 1 1 5 5 ALA HA H 1 4.417 0.01 . 1 . . . . 5 ALA HA . 15512 1 34 . 1 1 5 5 ALA HB1 H 1 1.319 0.01 . 1 . . . . 5 ALA HB1 . 15512 1 35 . 1 1 5 5 ALA HB2 H 1 1.319 0.01 . 1 . . . . 5 ALA HB1 . 15512 1 36 . 1 1 5 5 ALA HB3 H 1 1.319 0.01 . 1 . . . . 5 ALA HB1 . 15512 1 37 . 1 1 5 5 ALA C C 13 174.615 0.1 . 1 . . . . 5 ALA C . 15512 1 38 . 1 1 5 5 ALA CA C 13 52.602 0.1 . 1 . . . . 5 ALA CA . 15512 1 39 . 1 1 5 5 ALA CB C 13 19.294 0.1 . 1 . . . . 5 ALA CB . 15512 1 40 . 1 1 5 5 ALA N N 15 125.359 0.1 . 1 . . . . 5 ALA N . 15512 1 41 . 1 1 6 6 THR H H 1 9.640 0.01 . 1 . . . . 6 THR HN . 15512 1 42 . 1 1 6 6 THR HA H 1 4.590 0.01 . 1 . . . . 6 THR HA . 15512 1 43 . 1 1 6 6 THR HB H 1 4.174 0.01 . 1 . . . . 6 THR HB . 15512 1 44 . 1 1 6 6 THR HG21 H 1 1.235 0.01 . 1 . . . . 6 THR HG21 . 15512 1 45 . 1 1 6 6 THR HG22 H 1 1.235 0.01 . 1 . . . . 6 THR HG21 . 15512 1 46 . 1 1 6 6 THR HG23 H 1 1.235 0.01 . 1 . . . . 6 THR HG21 . 15512 1 47 . 1 1 6 6 THR C C 13 173.358 0.1 . 1 . . . . 6 THR C . 15512 1 48 . 1 1 6 6 THR CA C 13 60.363 0.1 . 1 . . . . 6 THR CA . 15512 1 49 . 1 1 6 6 THR CB C 13 71.998 0.1 . 1 . . . . 6 THR CB . 15512 1 50 . 1 1 6 6 THR CG2 C 13 21.507 0.1 . 1 . . . . 6 THR CG2 . 15512 1 51 . 1 1 6 6 THR N N 15 115.947 0.1 . 1 . . . . 6 THR N . 15512 1 52 . 1 1 7 7 ALA H H 1 8.564 0.01 . 1 . . . . 7 ALA HN . 15512 1 53 . 1 1 7 7 ALA HA H 1 4.393 0.01 . 1 . . . . 7 ALA HA . 15512 1 54 . 1 1 7 7 ALA HB1 H 1 1.247 0.01 . 1 . . . . 7 ALA HB1 . 15512 1 55 . 1 1 7 7 ALA HB2 H 1 1.247 0.01 . 1 . . . . 7 ALA HB1 . 15512 1 56 . 1 1 7 7 ALA HB3 H 1 1.247 0.01 . 1 . . . . 7 ALA HB1 . 15512 1 57 . 1 1 7 7 ALA C C 13 173.358 0.1 . 1 . . . . 7 ALA C . 15512 1 58 . 1 1 7 7 ALA CA C 13 50.818 0.1 . 1 . . . . 7 ALA CA . 15512 1 59 . 1 1 7 7 ALA CB C 13 16.419 0.1 . 1 . . . . 7 ALA CB . 15512 1 60 . 1 1 7 7 ALA N N 15 127.194 0.1 . 1 . . . . 7 ALA N . 15512 1 61 . 1 1 8 8 PRO HA H 1 4.964 0.01 . 1 . . . . 8 PRO HA . 15512 1 62 . 1 1 8 8 PRO HB2 H 1 1.617 0.01 . 2 . . . . 8 PRO HB1 . 15512 1 63 . 1 1 8 8 PRO HB3 H 1 1.617 0.01 . 2 . . . . 8 PRO HB2 . 15512 1 64 . 1 1 8 8 PRO HD2 H 1 3.782 0.01 . 2 . . . . 8 PRO HD1 . 15512 1 65 . 1 1 8 8 PRO HD3 H 1 3.782 0.01 . 2 . . . . 8 PRO HD2 . 15512 1 66 . 1 1 8 8 PRO HG2 H 1 1.819 0.01 . 2 . . . . 8 PRO HG1 . 15512 1 67 . 1 1 8 8 PRO HG3 H 1 1.389 0.01 . 2 . . . . 8 PRO HG2 . 15512 1 68 . 1 1 8 8 PRO C C 13 174.114 0.1 . 1 . . . . 8 PRO C . 15512 1 69 . 1 1 8 8 PRO CA C 13 61.727 0.1 . 1 . . . . 8 PRO CA . 15512 1 70 . 1 1 8 8 PRO CB C 13 31.867 0.1 . 1 . . . . 8 PRO CB . 15512 1 71 . 1 1 8 8 PRO CD C 13 50.012 0.1 . 1 . . . . 8 PRO CD . 15512 1 72 . 1 1 8 8 PRO CG C 13 28.197 0.1 . 1 . . . . 8 PRO CG . 15512 1 73 . 1 1 9 9 PHE H H 1 7.705 0.01 . 1 . . . . 9 PHE HN . 15512 1 74 . 1 1 9 9 PHE HA H 1 4.556 0.01 . 1 . . . . 9 PHE HA . 15512 1 75 . 1 1 9 9 PHE HB2 H 1 2.987 0.01 . 2 . . . . 9 PHE HB1 . 15512 1 76 . 1 1 9 9 PHE HB3 H 1 2.908 0.01 . 2 . . . . 9 PHE HB2 . 15512 1 77 . 1 1 9 9 PHE HD1 H 1 7.068 0.01 . 3 . . . . 9 PHE HD1 . 15512 1 78 . 1 1 9 9 PHE HD2 H 1 7.068 0.01 . 3 . . . . 9 PHE HD2 . 15512 1 79 . 1 1 9 9 PHE HE1 H 1 7.150 0.01 . 3 . . . . 9 PHE HE1 . 15512 1 80 . 1 1 9 9 PHE HE2 H 1 7.068 0.01 . 3 . . . . 9 PHE HE2 . 15512 1 81 . 1 1 9 9 PHE C C 13 172.878 0.1 . 1 . . . . 9 PHE C . 15512 1 82 . 1 1 9 9 PHE CA C 13 55.745 0.1 . 1 . . . . 9 PHE CA . 15512 1 83 . 1 1 9 9 PHE CB C 13 41.082 0.1 . 1 . . . . 9 PHE CB . 15512 1 84 . 1 1 9 9 PHE CD1 C 13 132.740 0.1 . 3 . . . . 9 PHE CD1 . 15512 1 85 . 1 1 9 9 PHE CD2 C 13 132.740 0.1 . 3 . . . . 9 PHE CD2 . 15512 1 86 . 1 1 9 9 PHE CE1 C 13 131.090 0.1 . 3 . . . . 9 PHE CE1 . 15512 1 87 . 1 1 9 9 PHE CE2 C 13 132.740 0.1 . 3 . . . . 9 PHE CE2 . 15512 1 88 . 1 1 9 9 PHE N N 15 113.425 0.1 . 1 . . . . 9 PHE N . 15512 1 89 . 1 1 10 10 PHE H H 1 8.848 0.01 . 1 . . . . 10 PHE HN . 15512 1 90 . 1 1 10 10 PHE HA H 1 4.875 0.01 . 1 . . . . 10 PHE HA . 15512 1 91 . 1 1 10 10 PHE HB2 H 1 2.724 0.01 . 2 . . . . 10 PHE HB1 . 15512 1 92 . 1 1 10 10 PHE HB3 H 1 2.724 0.01 . 2 . . . . 10 PHE HB2 . 15512 1 93 . 1 1 10 10 PHE HD1 H 1 7.031 0.01 . 3 . . . . 10 PHE HD1 . 15512 1 94 . 1 1 10 10 PHE HD2 H 1 7.161 0.01 . 3 . . . . 10 PHE HD2 . 15512 1 95 . 1 1 10 10 PHE HE1 H 1 7.161 0.01 . 3 . . . . 10 PHE HE1 . 15512 1 96 . 1 1 10 10 PHE HE2 H 1 7.276 0.01 . 3 . . . . 10 PHE HE2 . 15512 1 97 . 1 1 10 10 PHE C C 13 176.568 0.1 . 1 . . . . 10 PHE C . 15512 1 98 . 1 1 10 10 PHE CA C 13 57.866 0.1 . 1 . . . . 10 PHE CA . 15512 1 99 . 1 1 10 10 PHE CB C 13 39.631 0.1 . 1 . . . . 10 PHE CB . 15512 1 100 . 1 1 10 10 PHE CD1 C 13 129.454 0.1 . 3 . . . . 10 PHE CD1 . 15512 1 101 . 1 1 10 10 PHE N N 15 117.998 0.1 . 1 . . . . 10 PHE N . 15512 1 102 . 1 1 11 11 GLU H H 1 8.348 0.01 . 1 . . . . 11 GLU HN . 15512 1 103 . 1 1 11 11 GLU HA H 1 4.415 0.01 . 1 . . . . 11 GLU HA . 15512 1 104 . 1 1 11 11 GLU HB2 H 1 1.553 0.01 . 2 . . . . 11 GLU HB1 . 15512 1 105 . 1 1 11 11 GLU HB3 H 1 2.160 0.01 . 2 . . . . 11 GLU HB2 . 15512 1 106 . 1 1 11 11 GLU HG2 H 1 2.075 0.01 . 2 . . . . 11 GLU HG1 . 15512 1 107 . 1 1 11 11 GLU HG3 H 1 2.245 0.01 . 2 . . . . 11 GLU HG2 . 15512 1 108 . 1 1 11 11 GLU C C 13 176.571 0.1 . 1 . . . . 11 GLU C . 15512 1 109 . 1 1 11 11 GLU CA C 13 57.325 0.1 . 1 . . . . 11 GLU CA . 15512 1 110 . 1 1 11 11 GLU CB C 13 30.979 0.1 . 1 . . . . 11 GLU CB . 15512 1 111 . 1 1 11 11 GLU CG C 13 36.814 0.1 . 1 . . . . 11 GLU CG . 15512 1 112 . 1 1 11 11 GLU N N 15 124.633 0.1 . 1 . . . . 11 GLU N . 15512 1 113 . 1 1 12 12 MET H H 1 7.728 0.01 . 1 . . . . 12 MET HN . 15512 1 114 . 1 1 12 12 MET HA H 1 4.643 0.01 . 1 . . . . 12 MET HA . 15512 1 115 . 1 1 12 12 MET HB2 H 1 1.954 0.01 . 2 . . . . 12 MET HB1 . 15512 1 116 . 1 1 12 12 MET HB3 H 1 2.054 0.01 . 2 . . . . 12 MET HB2 . 15512 1 117 . 1 1 12 12 MET HG2 H 1 2.519 0.01 . 2 . . . . 12 MET HG1 . 15512 1 118 . 1 1 12 12 MET HG3 H 1 2.640 0.01 . 2 . . . . 12 MET HG2 . 15512 1 119 . 1 1 12 12 MET C C 13 176.571 0.1 . 1 . . . . 12 MET C . 15512 1 120 . 1 1 12 12 MET CA C 13 55.901 0.1 . 1 . . . . 12 MET CA . 15512 1 121 . 1 1 12 12 MET CB C 13 36.567 0.1 . 1 . . . . 12 MET CB . 15512 1 122 . 1 1 12 12 MET CG C 13 31.106 0.1 . 1 . . . . 12 MET CG . 15512 1 123 . 1 1 12 12 MET N N 15 117.092 0.1 . 1 . . . . 12 MET N . 15512 1 124 . 1 1 13 13 LYS H H 1 8.960 0.01 . 1 . . . . 13 LYS HN . 15512 1 125 . 1 1 13 13 LYS HA H 1 4.183 0.01 . 1 . . . . 13 LYS HA . 15512 1 126 . 1 1 13 13 LYS HB2 H 1 1.886 0.01 . 2 . . . . 13 LYS HB1 . 15512 1 127 . 1 1 13 13 LYS HB3 H 1 1.668 0.01 . 2 . . . . 13 LYS HB2 . 15512 1 128 . 1 1 13 13 LYS HD2 H 1 1.688 0.01 . 2 . . . . 13 LYS HD1 . 15512 1 129 . 1 1 13 13 LYS HD3 H 1 1.688 0.01 . 2 . . . . 13 LYS HD2 . 15512 1 130 . 1 1 13 13 LYS HE2 H 1 3.055 0.01 . 2 . . . . 13 LYS HE1 . 15512 1 131 . 1 1 13 13 LYS HE3 H 1 3.055 0.01 . 2 . . . . 13 LYS HE2 . 15512 1 132 . 1 1 13 13 LYS HG2 H 1 1.469 0.01 . 2 . . . . 13 LYS HG1 . 15512 1 133 . 1 1 13 13 LYS HG3 H 1 1.469 0.01 . 2 . . . . 13 LYS HG2 . 15512 1 134 . 1 1 13 13 LYS C C 13 175.306 0.1 . 1 . . . . 13 LYS C . 15512 1 135 . 1 1 13 13 LYS CA C 13 56.085 0.1 . 1 . . . . 13 LYS CA . 15512 1 136 . 1 1 13 13 LYS CB C 13 34.429 0.1 . 1 . . . . 13 LYS CB . 15512 1 137 . 1 1 13 13 LYS CD C 13 29.492 0.1 . 1 . . . . 13 LYS CD . 15512 1 138 . 1 1 13 13 LYS CE C 13 42.907 0.1 . 1 . . . . 13 LYS CE . 15512 1 139 . 1 1 13 13 LYS CG C 13 24.656 0.1 . 1 . . . . 13 LYS CG . 15512 1 140 . 1 1 13 13 LYS N N 15 126.274 0.1 . 1 . . . . 13 LYS N . 15512 1 141 . 1 1 14 14 LEU H H 1 6.360 0.01 . 1 . . . . 14 LEU HN . 15512 1 142 . 1 1 14 14 LEU HA H 1 4.377 0.01 . 1 . . . . 14 LEU HA . 15512 1 143 . 1 1 14 14 LEU HB2 H 1 1.545 0.01 . 2 . . . . 14 LEU HB1 . 15512 1 144 . 1 1 14 14 LEU HB3 H 1 1.545 0.01 . 2 . . . . 14 LEU HB2 . 15512 1 145 . 1 1 14 14 LEU C C 13 177.204 0.1 . 1 . . . . 14 LEU C . 15512 1 146 . 1 1 14 14 LEU CA C 13 55.691 0.1 . 1 . . . . 14 LEU CA . 15512 1 147 . 1 1 14 14 LEU CB C 13 43.195 0.1 . 1 . . . . 14 LEU CB . 15512 1 148 . 1 1 14 14 LEU N N 15 116.053 0.1 . 1 . . . . 14 LEU N . 15512 1 149 . 1 1 15 15 LYS H H 1 7.978 0.01 . 1 . . . . 15 LYS HN . 15512 1 150 . 1 1 15 15 LYS HA H 1 4.271 0.01 . 1 . . . . 15 LYS HA . 15512 1 151 . 1 1 15 15 LYS HB2 H 1 1.675 0.01 . 2 . . . . 15 LYS HB1 . 15512 1 152 . 1 1 15 15 LYS HB3 H 1 1.675 0.01 . 2 . . . . 15 LYS HB2 . 15512 1 153 . 1 1 15 15 LYS HD2 H 1 1.662 0.01 . 2 . . . . 15 LYS HD1 . 15512 1 154 . 1 1 15 15 LYS HD3 H 1 1.662 0.01 . 2 . . . . 15 LYS HD2 . 15512 1 155 . 1 1 15 15 LYS HE2 H 1 3.014 0.01 . 2 . . . . 15 LYS HE1 . 15512 1 156 . 1 1 15 15 LYS HE3 H 1 3.014 0.01 . 2 . . . . 15 LYS HE2 . 15512 1 157 . 1 1 15 15 LYS HG2 H 1 1.398 0.01 . 2 . . . . 15 LYS HG1 . 15512 1 158 . 1 1 15 15 LYS HG3 H 1 1.511 0.01 . 2 . . . . 15 LYS HG2 . 15512 1 159 . 1 1 15 15 LYS C C 13 171.875 0.1 . 1 . . . . 15 LYS C . 15512 1 160 . 1 1 15 15 LYS CA C 13 54.684 0.1 . 1 . . . . 15 LYS CA . 15512 1 161 . 1 1 15 15 LYS CB C 13 33.771 0.1 . 1 . . . . 15 LYS CB . 15512 1 162 . 1 1 15 15 LYS CD C 13 28.953 0.1 . 1 . . . . 15 LYS CD . 15512 1 163 . 1 1 15 15 LYS CE C 13 42.383 0.1 . 1 . . . . 15 LYS CE . 15512 1 164 . 1 1 15 15 LYS CG C 13 25.351 0.1 . 1 . . . . 15 LYS CG . 15512 1 165 . 1 1 15 15 LYS N N 15 122.456 0.1 . 1 . . . . 15 LYS N . 15512 1 166 . 1 1 16 16 HIS H H 1 6.979 0.01 . 1 . . . . 16 HIS HN . 15512 1 167 . 1 1 16 16 HIS HA H 1 5.510 0.01 . 1 . . . . 16 HIS HA . 15512 1 168 . 1 1 16 16 HIS HB2 H 1 2.889 0.01 . 2 . . . . 16 HIS HB1 . 15512 1 169 . 1 1 16 16 HIS HB3 H 1 3.228 0.01 . 2 . . . . 16 HIS HB2 . 15512 1 170 . 1 1 16 16 HIS HD2 H 1 7.044 0.01 . 1 . . . . 16 HIS HD2 . 15512 1 171 . 1 1 16 16 HIS C C 13 176.235 0.1 . 1 . . . . 16 HIS C . 15512 1 172 . 1 1 16 16 HIS CA C 13 53.804 0.1 . 1 . . . . 16 HIS CA . 15512 1 173 . 1 1 16 16 HIS CB C 13 32.624 0.1 . 1 . . . . 16 HIS CB . 15512 1 174 . 1 1 16 16 HIS CD2 C 13 118.619 0.1 . 1 . . . . 16 HIS CD2 . 15512 1 175 . 1 1 16 16 HIS N N 15 112.572 0.1 . 1 . . . . 16 HIS N . 15512 1 176 . 1 1 17 17 TYR H H 1 8.820 0.01 . 1 . . . . 17 TYR HN . 15512 1 177 . 1 1 17 17 TYR HA H 1 4.913 0.01 . 1 . . . . 17 TYR HA . 15512 1 178 . 1 1 17 17 TYR HB2 H 1 2.796 0.01 . 2 . . . . 17 TYR HB1 . 15512 1 179 . 1 1 17 17 TYR HB3 H 1 2.392 0.01 . 2 . . . . 17 TYR HB2 . 15512 1 180 . 1 1 17 17 TYR HD1 H 1 6.633 0.01 . 3 . . . . 17 TYR HD1 . 15512 1 181 . 1 1 17 17 TYR HD2 H 1 6.633 0.01 . 3 . . . . 17 TYR HD2 . 15512 1 182 . 1 1 17 17 TYR HE1 H 1 6.520 0.01 . 3 . . . . 17 TYR HE1 . 15512 1 183 . 1 1 17 17 TYR HE2 H 1 6.520 0.01 . 3 . . . . 17 TYR HE2 . 15512 1 184 . 1 1 17 17 TYR C C 13 174.284 0.1 . 1 . . . . 17 TYR C . 15512 1 185 . 1 1 17 17 TYR CA C 13 57.692 0.1 . 1 . . . . 17 TYR CA . 15512 1 186 . 1 1 17 17 TYR CB C 13 43.673 0.1 . 1 . . . . 17 TYR CB . 15512 1 187 . 1 1 17 17 TYR CD1 C 13 133.174 0.1 . 3 . . . . 17 TYR CD1 . 15512 1 188 . 1 1 17 17 TYR CD2 C 13 133.174 0.1 . 3 . . . . 17 TYR CD2 . 15512 1 189 . 1 1 17 17 TYR CE1 C 13 117.767 0.1 . 3 . . . . 17 TYR CE1 . 15512 1 190 . 1 1 17 17 TYR CE2 C 13 117.767 0.1 . 3 . . . . 17 TYR CE2 . 15512 1 191 . 1 1 17 17 TYR N N 15 117.591 0.1 . 1 . . . . 17 TYR N . 15512 1 192 . 1 1 18 18 LYS H H 1 8.623 0.01 . 1 . . . . 18 LYS HN . 15512 1 193 . 1 1 18 18 LYS HA H 1 5.315 0.01 . 1 . . . . 18 LYS HA . 15512 1 194 . 1 1 18 18 LYS HB2 H 1 1.625 0.01 . 2 . . . . 18 LYS HB1 . 15512 1 195 . 1 1 18 18 LYS HB3 H 1 1.741 0.01 . 2 . . . . 18 LYS HB2 . 15512 1 196 . 1 1 18 18 LYS HD2 H 1 1.585 0.01 . 2 . . . . 18 LYS HD1 . 15512 1 197 . 1 1 18 18 LYS HD3 H 1 1.586 0.01 . 2 . . . . 18 LYS HD2 . 15512 1 198 . 1 1 18 18 LYS HE2 H 1 2.835 0.01 . 2 . . . . 18 LYS HE1 . 15512 1 199 . 1 1 18 18 LYS HE3 H 1 2.832 0.01 . 2 . . . . 18 LYS HE2 . 15512 1 200 . 1 1 18 18 LYS HG2 H 1 1.262 0.01 . 2 . . . . 18 LYS HG1 . 15512 1 201 . 1 1 18 18 LYS HG3 H 1 1.152 0.01 . 2 . . . . 18 LYS HG2 . 15512 1 202 . 1 1 18 18 LYS C C 13 175.241 0.1 . 1 . . . . 18 LYS C . 15512 1 203 . 1 1 18 18 LYS CA C 13 55.517 0.1 . 1 . . . . 18 LYS CA . 15512 1 204 . 1 1 18 18 LYS CB C 13 34.125 0.1 . 1 . . . . 18 LYS CB . 15512 1 205 . 1 1 18 18 LYS CD C 13 29.531 0.1 . 1 . . . . 18 LYS CD . 15512 1 206 . 1 1 18 18 LYS CE C 13 41.976 0.1 . 1 . . . . 18 LYS CE . 15512 1 207 . 1 1 18 18 LYS CG C 13 24.641 0.1 . 1 . . . . 18 LYS CG . 15512 1 208 . 1 1 18 18 LYS N N 15 124.898 0.1 . 1 . . . . 18 LYS N . 15512 1 209 . 1 1 19 19 ILE H H 1 8.751 0.01 . 1 . . . . 19 ILE HN . 15512 1 210 . 1 1 19 19 ILE HA H 1 4.843 0.01 . 1 . . . . 19 ILE HA . 15512 1 211 . 1 1 19 19 ILE HB H 1 2.120 0.01 . 1 . . . . 19 ILE HB . 15512 1 212 . 1 1 19 19 ILE HD11 H 1 0.640 0.01 . 1 . . . . 19 ILE HD11 . 15512 1 213 . 1 1 19 19 ILE HD12 H 1 0.640 0.01 . 1 . . . . 19 ILE HD11 . 15512 1 214 . 1 1 19 19 ILE HD13 H 1 0.640 0.01 . 1 . . . . 19 ILE HD11 . 15512 1 215 . 1 1 19 19 ILE HG12 H 1 0.933 0.01 . 1 . . . . 19 ILE HG11 . 15512 1 216 . 1 1 19 19 ILE HG13 H 1 1.118 0.01 . 1 . . . . 19 ILE HG12 . 15512 1 217 . 1 1 19 19 ILE HG21 H 1 0.829 0.01 . 1 . . . . 19 ILE HG21 . 15512 1 218 . 1 1 19 19 ILE HG22 H 1 0.829 0.01 . 1 . . . . 19 ILE HG21 . 15512 1 219 . 1 1 19 19 ILE HG23 H 1 0.829 0.01 . 1 . . . . 19 ILE HG21 . 15512 1 220 . 1 1 19 19 ILE C C 13 174.784 0.1 . 1 . . . . 19 ILE C . 15512 1 221 . 1 1 19 19 ILE CA C 13 58.782 0.1 . 1 . . . . 19 ILE CA . 15512 1 222 . 1 1 19 19 ILE CB C 13 42.941 0.1 . 1 . . . . 19 ILE CB . 15512 1 223 . 1 1 19 19 ILE CD1 C 13 14.730 0.1 . 1 . . . . 19 ILE CD1 . 15512 1 224 . 1 1 19 19 ILE CG1 C 13 25.355 0.1 . 1 . . . . 19 ILE CG1 . 15512 1 225 . 1 1 19 19 ILE CG2 C 13 17.674 0.1 . 1 . . . . 19 ILE CG2 . 15512 1 226 . 1 1 19 19 ILE N N 15 119.065 0.1 . 1 . . . . 19 ILE N . 15512 1 227 . 1 1 20 20 PHE H H 1 7.984 0.01 . 1 . . . . 20 PHE HN . 15512 1 228 . 1 1 20 20 PHE HA H 1 5.128 0.01 . 1 . . . . 20 PHE HA . 15512 1 229 . 1 1 20 20 PHE HB2 H 1 2.736 0.01 . 2 . . . . 20 PHE HB1 . 15512 1 230 . 1 1 20 20 PHE HB3 H 1 3.074 0.01 . 2 . . . . 20 PHE HB2 . 15512 1 231 . 1 1 20 20 PHE HD1 H 1 7.298 0.01 . 3 . . . . 20 PHE HD1 . 15512 1 232 . 1 1 20 20 PHE HD2 H 1 7.210 0.01 . 3 . . . . 20 PHE HD2 . 15512 1 233 . 1 1 20 20 PHE HE1 H 1 7.298 0.01 . 3 . . . . 20 PHE HE1 . 15512 1 234 . 1 1 20 20 PHE HE2 H 1 7.209 0.01 . 3 . . . . 20 PHE HE2 . 15512 1 235 . 1 1 20 20 PHE C C 13 174.784 0.1 . 1 . . . . 20 PHE C . 15512 1 236 . 1 1 20 20 PHE CA C 13 57.410 0.1 . 1 . . . . 20 PHE CA . 15512 1 237 . 1 1 20 20 PHE CB C 13 41.058 0.1 . 1 . . . . 20 PHE CB . 15512 1 238 . 1 1 20 20 PHE CD1 C 13 131.564 0.1 . 3 . . . . 20 PHE CD1 . 15512 1 239 . 1 1 20 20 PHE CD2 C 13 131.798 0.1 . 3 . . . . 20 PHE CD2 . 15512 1 240 . 1 1 20 20 PHE CE1 C 13 131.564 0.1 . 3 . . . . 20 PHE CE1 . 15512 1 241 . 1 1 20 20 PHE CE2 C 13 131.798 0.1 . 3 . . . . 20 PHE CE2 . 15512 1 242 . 1 1 20 20 PHE N N 15 119.264 0.1 . 1 . . . . 20 PHE N . 15512 1 243 . 1 1 21 21 GLU H H 1 8.421 0.01 . 1 . . . . 21 GLU HN . 15512 1 244 . 1 1 21 21 GLU HA H 1 3.529 0.01 . 1 . . . . 21 GLU HA . 15512 1 245 . 1 1 21 21 GLU HB2 H 1 2.007 0.01 . 2 . . . . 21 GLU HB1 . 15512 1 246 . 1 1 21 21 GLU HB3 H 1 1.882 0.01 . 2 . . . . 21 GLU HB2 . 15512 1 247 . 1 1 21 21 GLU HG2 H 1 2.316 0.01 . 2 . . . . 21 GLU HG1 . 15512 1 248 . 1 1 21 21 GLU HG3 H 1 2.190 0.01 . 2 . . . . 21 GLU HG2 . 15512 1 249 . 1 1 21 21 GLU C C 13 175.225 0.1 . 1 . . . . 21 GLU C . 15512 1 250 . 1 1 21 21 GLU CA C 13 57.666 0.1 . 1 . . . . 21 GLU CA . 15512 1 251 . 1 1 21 21 GLU CB C 13 30.263 0.1 . 1 . . . . 21 GLU CB . 15512 1 252 . 1 1 21 21 GLU CG C 13 35.759 0.1 . 1 . . . . 21 GLU CG . 15512 1 253 . 1 1 21 21 GLU N N 15 120.575 0.1 . 1 . . . . 21 GLU N . 15512 1 254 . 1 1 22 22 GLY H H 1 8.641 0.01 . 1 . . . . 22 GLY HN . 15512 1 255 . 1 1 22 22 GLY HA2 H 1 3.560 0.01 . 2 . . . . 22 GLY HA1 . 15512 1 256 . 1 1 22 22 GLY HA3 H 1 4.480 0.01 . 2 . . . . 22 GLY HA2 . 15512 1 257 . 1 1 22 22 GLY C C 13 174.572 0.1 . 1 . . . . 22 GLY C . 15512 1 258 . 1 1 22 22 GLY CA C 13 44.782 0.1 . 1 . . . . 22 GLY CA . 15512 1 259 . 1 1 22 22 GLY N N 15 115.420 0.1 . 1 . . . . 22 GLY N . 15512 1 260 . 1 1 23 23 MET H H 1 8.066 0.01 . 1 . . . . 23 MET HN . 15512 1 261 . 1 1 23 23 MET C C 13 174.572 0.1 . 1 . . . . 23 MET C . 15512 1 262 . 1 1 23 23 MET CA C 13 54.653 0.1 . 1 . . . . 23 MET CA . 15512 1 263 . 1 1 23 23 MET CB C 13 31.681 0.1 . 1 . . . . 23 MET CB . 15512 1 264 . 1 1 23 23 MET N N 15 119.545 0.1 . 1 . . . . 23 MET N . 15512 1 265 . 1 1 24 24 PRO HA H 1 4.286 0.01 . 1 . . . . 24 PRO HA . 15512 1 266 . 1 1 24 24 PRO HB2 H 1 1.880 0.01 . 2 . . . . 24 PRO HB1 . 15512 1 267 . 1 1 24 24 PRO HB3 H 1 2.407 0.01 . 2 . . . . 24 PRO HB2 . 15512 1 268 . 1 1 24 24 PRO HD2 H 1 3.688 0.01 . 2 . . . . 24 PRO HD1 . 15512 1 269 . 1 1 24 24 PRO HD3 H 1 3.870 0.01 . 2 . . . . 24 PRO HD2 . 15512 1 270 . 1 1 24 24 PRO HG2 H 1 1.916 0.01 . 2 . . . . 24 PRO HG1 . 15512 1 271 . 1 1 24 24 PRO HG3 H 1 2.119 0.01 . 2 . . . . 24 PRO HG2 . 15512 1 272 . 1 1 24 24 PRO C C 13 175.110 0.1 . 1 . . . . 24 PRO C . 15512 1 273 . 1 1 24 24 PRO CA C 13 62.697 0.1 . 1 . . . . 24 PRO CA . 15512 1 274 . 1 1 24 24 PRO CB C 13 33.539 0.1 . 1 . . . . 24 PRO CB . 15512 1 275 . 1 1 24 24 PRO CD C 13 50.410 0.1 . 1 . . . . 24 PRO CD . 15512 1 276 . 1 1 24 24 PRO CG C 13 26.474 0.1 . 1 . . . . 24 PRO CG . 15512 1 277 . 1 1 25 25 VAL H H 1 7.563 0.01 . 1 . . . . 25 VAL HN . 15512 1 278 . 1 1 25 25 VAL HA H 1 3.916 0.01 . 1 . . . . 25 VAL HA . 15512 1 279 . 1 1 25 25 VAL HB H 1 1.637 0.01 . 1 . . . . 25 VAL HB . 15512 1 280 . 1 1 25 25 VAL HG11 H 1 0.428 0.01 . 2 . . . . 25 VAL HG11 . 15512 1 281 . 1 1 25 25 VAL HG12 H 1 0.428 0.01 . 2 . . . . 25 VAL HG11 . 15512 1 282 . 1 1 25 25 VAL HG13 H 1 0.428 0.01 . 2 . . . . 25 VAL HG11 . 15512 1 283 . 1 1 25 25 VAL HG21 H 1 0.205 0.01 . 2 . . . . 25 VAL HG21 . 15512 1 284 . 1 1 25 25 VAL HG22 H 1 0.205 0.01 . 2 . . . . 25 VAL HG21 . 15512 1 285 . 1 1 25 25 VAL HG23 H 1 0.205 0.01 . 2 . . . . 25 VAL HG21 . 15512 1 286 . 1 1 25 25 VAL C C 13 173.350 0.1 . 1 . . . . 25 VAL C . 15512 1 287 . 1 1 25 25 VAL CA C 13 61.145 0.1 . 1 . . . . 25 VAL CA . 15512 1 288 . 1 1 25 25 VAL CB C 13 34.932 0.1 . 1 . . . . 25 VAL CB . 15512 1 289 . 1 1 25 25 VAL CG1 C 13 18.785 0.1 . 1 . . . . 25 VAL CG1 . 15512 1 290 . 1 1 25 25 VAL CG2 C 13 22.227 0.1 . 1 . . . . 25 VAL CG2 . 15512 1 291 . 1 1 25 25 VAL N N 15 115.696 0.1 . 1 . . . . 25 VAL N . 15512 1 292 . 1 1 26 26 THR H H 1 7.750 0.01 . 1 . . . . 26 THR HN . 15512 1 293 . 1 1 26 26 THR HA H 1 4.960 0.01 . 1 . . . . 26 THR HA . 15512 1 294 . 1 1 26 26 THR HB H 1 3.731 0.01 . 1 . . . . 26 THR HB . 15512 1 295 . 1 1 26 26 THR HG21 H 1 0.957 0.01 . 1 . . . . 26 THR HG21 . 15512 1 296 . 1 1 26 26 THR HG22 H 1 0.957 0.01 . 1 . . . . 26 THR HG21 . 15512 1 297 . 1 1 26 26 THR HG23 H 1 0.957 0.01 . 1 . . . . 26 THR HG21 . 15512 1 298 . 1 1 26 26 THR C C 13 173.514 0.1 . 1 . . . . 26 THR C . 15512 1 299 . 1 1 26 26 THR CA C 13 61.428 0.1 . 1 . . . . 26 THR CA . 15512 1 300 . 1 1 26 26 THR CB C 13 71.185 0.1 . 1 . . . . 26 THR CB . 15512 1 301 . 1 1 26 26 THR CG2 C 13 21.964 0.1 . 1 . . . . 26 THR CG2 . 15512 1 302 . 1 1 26 26 THR N N 15 121.346 0.1 . 1 . . . . 26 THR N . 15512 1 303 . 1 1 27 27 PHE H H 1 9.167 0.01 . 1 . . . . 27 PHE HN . 15512 1 304 . 1 1 27 27 PHE HA H 1 4.743 0.01 . 1 . . . . 27 PHE HA . 15512 1 305 . 1 1 27 27 PHE HB2 H 1 3.358 0.01 . 2 . . . . 27 PHE HB1 . 15512 1 306 . 1 1 27 27 PHE HB3 H 1 2.796 0.01 . 2 . . . . 27 PHE HB2 . 15512 1 307 . 1 1 27 27 PHE HD1 H 1 7.042 0.01 . 3 . . . . 27 PHE HD1 . 15512 1 308 . 1 1 27 27 PHE HD2 H 1 7.042 0.01 . 3 . . . . 27 PHE HD2 . 15512 1 309 . 1 1 27 27 PHE HE1 H 1 6.958 0.01 . 3 . . . . 27 PHE HE1 . 15512 1 310 . 1 1 27 27 PHE HE2 H 1 6.958 0.01 . 3 . . . . 27 PHE HE2 . 15512 1 311 . 1 1 27 27 PHE C C 13 175.493 0.1 . 1 . . . . 27 PHE C . 15512 1 312 . 1 1 27 27 PHE CA C 13 58.268 0.1 . 1 . . . . 27 PHE CA . 15512 1 313 . 1 1 27 27 PHE CB C 13 41.737 0.1 . 1 . . . . 27 PHE CB . 15512 1 314 . 1 1 27 27 PHE CD1 C 13 131.329 0.1 . 3 . . . . 27 PHE CD1 . 15512 1 315 . 1 1 27 27 PHE CD2 C 13 131.329 0.1 . 3 . . . . 27 PHE CD2 . 15512 1 316 . 1 1 27 27 PHE CE1 C 13 133.460 0.1 . 3 . . . . 27 PHE CE1 . 15512 1 317 . 1 1 27 27 PHE CE2 C 13 133.460 0.1 . 3 . . . . 27 PHE CE2 . 15512 1 318 . 1 1 27 27 PHE N N 15 126.747 0.1 . 1 . . . . 27 PHE N . 15512 1 319 . 1 1 28 28 THR H H 1 8.688 0.01 . 1 . . . . 28 THR HN . 15512 1 320 . 1 1 28 28 THR HA H 1 5.397 0.01 . 1 . . . . 28 THR HA . 15512 1 321 . 1 1 28 28 THR HB H 1 3.795 0.01 . 1 . . . . 28 THR HB . 15512 1 322 . 1 1 28 28 THR HG21 H 1 1.141 0.01 . 1 . . . . 28 THR HG21 . 15512 1 323 . 1 1 28 28 THR HG22 H 1 1.141 0.01 . 1 . . . . 28 THR HG21 . 15512 1 324 . 1 1 28 28 THR HG23 H 1 1.141 0.01 . 1 . . . . 28 THR HG21 . 15512 1 325 . 1 1 28 28 THR C C 13 172.515 0.1 . 1 . . . . 28 THR C . 15512 1 326 . 1 1 28 28 THR CA C 13 61.194 0.1 . 1 . . . . 28 THR CA . 15512 1 327 . 1 1 28 28 THR CB C 13 71.219 0.1 . 1 . . . . 28 THR CB . 15512 1 328 . 1 1 28 28 THR CG2 C 13 21.932 0.1 . 1 . . . . 28 THR CG2 . 15512 1 329 . 1 1 28 28 THR N N 15 115.702 0.1 . 1 . . . . 28 THR N . 15512 1 330 . 1 1 29 29 CYS H H 1 9.186 0.01 . 1 . . . . 29 CYS HN . 15512 1 331 . 1 1 29 29 CYS HA H 1 4.638 0.01 . 1 . . . . 29 CYS HA . 15512 1 332 . 1 1 29 29 CYS HB2 H 1 2.733 0.01 . 2 . . . . 29 CYS HB1 . 15512 1 333 . 1 1 29 29 CYS HB3 H 1 3.343 0.01 . 2 . . . . 29 CYS HB2 . 15512 1 334 . 1 1 29 29 CYS C C 13 171.720 0.1 . 1 . . . . 29 CYS C . 15512 1 335 . 1 1 29 29 CYS CA C 13 56.419 0.1 . 1 . . . . 29 CYS CA . 15512 1 336 . 1 1 29 29 CYS CB C 13 30.440 0.1 . 1 . . . . 29 CYS CB . 15512 1 337 . 1 1 29 29 CYS N N 15 120.445 0.1 . 1 . . . . 29 CYS N . 15512 1 338 . 1 1 30 30 ARG H H 1 8.700 0.01 . 1 . . . . 30 ARG HN . 15512 1 339 . 1 1 30 30 ARG HA H 1 5.281 0.01 . 1 . . . . 30 ARG HA . 15512 1 340 . 1 1 30 30 ARG HB2 H 1 1.745 0.01 . 2 . . . . 30 ARG HB1 . 15512 1 341 . 1 1 30 30 ARG HB3 H 1 1.668 0.01 . 2 . . . . 30 ARG HB2 . 15512 1 342 . 1 1 30 30 ARG HD2 H 1 3.174 0.01 . 2 . . . . 30 ARG HD1 . 15512 1 343 . 1 1 30 30 ARG HD3 H 1 3.174 0.01 . 2 . . . . 30 ARG HD2 . 15512 1 344 . 1 1 30 30 ARG HG2 H 1 1.944 0.01 . 2 . . . . 30 ARG HG1 . 15512 1 345 . 1 1 30 30 ARG HG3 H 1 2.166 0.01 . 2 . . . . 30 ARG HG2 . 15512 1 346 . 1 1 30 30 ARG C C 13 174.607 0.1 . 1 . . . . 30 ARG C . 15512 1 347 . 1 1 30 30 ARG CA C 13 56.638 0.1 . 1 . . . . 30 ARG CA . 15512 1 348 . 1 1 30 30 ARG CB C 13 33.911 0.1 . 1 . . . . 30 ARG CB . 15512 1 349 . 1 1 30 30 ARG CD C 13 43.578 0.1 . 1 . . . . 30 ARG CD . 15512 1 350 . 1 1 30 30 ARG N N 15 120.562 0.1 . 1 . . . . 30 ARG N . 15512 1 351 . 1 1 31 31 VAL H H 1 8.727 0.01 . 1 . . . . 31 VAL HN . 15512 1 352 . 1 1 31 31 VAL HA H 1 4.477 0.01 . 1 . . . . 31 VAL HA . 15512 1 353 . 1 1 31 31 VAL HB H 1 1.652 0.01 . 1 . . . . 31 VAL HB . 15512 1 354 . 1 1 31 31 VAL HG11 H 1 0.529 0.01 . 2 . . . . 31 VAL HG11 . 15512 1 355 . 1 1 31 31 VAL HG12 H 1 0.529 0.01 . 2 . . . . 31 VAL HG11 . 15512 1 356 . 1 1 31 31 VAL HG13 H 1 0.529 0.01 . 2 . . . . 31 VAL HG11 . 15512 1 357 . 1 1 31 31 VAL HG21 H 1 0.630 0.01 . 2 . . . . 31 VAL HG21 . 15512 1 358 . 1 1 31 31 VAL HG22 H 1 0.630 0.01 . 2 . . . . 31 VAL HG21 . 15512 1 359 . 1 1 31 31 VAL HG23 H 1 0.630 0.01 . 2 . . . . 31 VAL HG21 . 15512 1 360 . 1 1 31 31 VAL C C 13 172.838 0.1 . 1 . . . . 31 VAL C . 15512 1 361 . 1 1 31 31 VAL CA C 13 60.617 0.1 . 1 . . . . 31 VAL CA . 15512 1 362 . 1 1 31 31 VAL CB C 13 35.138 0.1 . 1 . . . . 31 VAL CB . 15512 1 363 . 1 1 31 31 VAL CG1 C 13 21.125 0.1 . 1 . . . . 31 VAL CG1 . 15512 1 364 . 1 1 31 31 VAL CG2 C 13 21.894 0.1 . 1 . . . . 31 VAL CG2 . 15512 1 365 . 1 1 31 31 VAL N N 15 129.049 0.1 . 1 . . . . 31 VAL N . 15512 1 366 . 1 1 32 32 ALA H H 1 8.389 0.01 . 1 . . . . 32 ALA HN . 15512 1 367 . 1 1 32 32 ALA HA H 1 4.510 0.01 . 1 . . . . 32 ALA HA . 15512 1 368 . 1 1 32 32 ALA HB1 H 1 0.620 0.01 . 1 . . . . 32 ALA HB1 . 15512 1 369 . 1 1 32 32 ALA HB2 H 1 0.620 0.01 . 1 . . . . 32 ALA HB1 . 15512 1 370 . 1 1 32 32 ALA HB3 H 1 0.620 0.01 . 1 . . . . 32 ALA HB1 . 15512 1 371 . 1 1 32 32 ALA C C 13 175.130 0.1 . 1 . . . . 32 ALA C . 15512 1 372 . 1 1 32 32 ALA CA C 13 50.065 0.1 . 1 . . . . 32 ALA CA . 15512 1 373 . 1 1 32 32 ALA CB C 13 22.224 0.1 . 1 . . . . 32 ALA CB . 15512 1 374 . 1 1 32 32 ALA N N 15 130.449 0.1 . 1 . . . . 32 ALA N . 15512 1 375 . 1 1 33 33 GLY H H 1 7.740 0.01 . 1 . . . . 33 GLY HN . 15512 1 376 . 1 1 33 33 GLY HA2 H 1 3.392 0.01 . 2 . . . . 33 GLY HA1 . 15512 1 377 . 1 1 33 33 GLY HA3 H 1 3.792 0.01 . 2 . . . . 33 GLY HA2 . 15512 1 378 . 1 1 33 33 GLY C C 13 175.130 0.1 . 1 . . . . 33 GLY C . 15512 1 379 . 1 1 33 33 GLY CA C 13 44.763 0.1 . 1 . . . . 33 GLY CA . 15512 1 380 . 1 1 33 33 GLY N N 15 104.231 0.1 . 1 . . . . 33 GLY N . 15512 1 381 . 1 1 34 34 ASN H H 1 7.672 0.01 . 1 . . . . 34 ASN HN . 15512 1 382 . 1 1 34 34 ASN HA H 1 4.759 0.01 . 1 . . . . 34 ASN HA . 15512 1 383 . 1 1 34 34 ASN HB2 H 1 2.623 0.01 . 2 . . . . 34 ASN HB1 . 15512 1 384 . 1 1 34 34 ASN HB3 H 1 2.889 0.01 . 2 . . . . 34 ASN HB2 . 15512 1 385 . 1 1 34 34 ASN HD21 H 1 7.247 0.01 . 2 . . . . 34 ASN HD21 . 15512 1 386 . 1 1 34 34 ASN HD22 H 1 6.848 0.01 . 2 . . . . 34 ASN HD22 . 15512 1 387 . 1 1 34 34 ASN CA C 13 50.652 0.1 . 1 . . . . 34 ASN CA . 15512 1 388 . 1 1 34 34 ASN CB C 13 41.586 0.1 . 1 . . . . 34 ASN CB . 15512 1 389 . 1 1 34 34 ASN N N 15 119.047 0.1 . 1 . . . . 34 ASN N . 15512 1 390 . 1 1 34 34 ASN ND2 N 15 112.918 0.1 . 1 . . . . 34 ASN ND2 . 15512 1 391 . 1 1 35 35 PRO HA H 1 4.731 0.01 . 1 . . . . 35 PRO HA . 15512 1 392 . 1 1 35 35 PRO HB2 H 1 2.044 0.01 . 2 . . . . 35 PRO HB1 . 15512 1 393 . 1 1 35 35 PRO HB3 H 1 2.497 0.01 . 2 . . . . 35 PRO HB2 . 15512 1 394 . 1 1 35 35 PRO HD2 H 1 3.616 0.01 . 2 . . . . 35 PRO HD1 . 15512 1 395 . 1 1 35 35 PRO HD3 H 1 3.308 0.01 . 2 . . . . 35 PRO HD2 . 15512 1 396 . 1 1 35 35 PRO HG2 H 1 1.808 0.01 . 2 . . . . 35 PRO HG1 . 15512 1 397 . 1 1 35 35 PRO HG3 H 1 1.958 0.01 . 2 . . . . 35 PRO HG2 . 15512 1 398 . 1 1 35 35 PRO C C 13 175.846 0.1 . 1 . . . . 35 PRO C . 15512 1 399 . 1 1 35 35 PRO CA C 13 62.788 0.1 . 1 . . . . 35 PRO CA . 15512 1 400 . 1 1 35 35 PRO CB C 13 35.254 0.1 . 1 . . . . 35 PRO CB . 15512 1 401 . 1 1 35 35 PRO CD C 13 50.556 0.1 . 1 . . . . 35 PRO CD . 15512 1 402 . 1 1 35 35 PRO CG C 13 25.865 0.1 . 1 . . . . 35 PRO CG . 15512 1 403 . 1 1 36 36 LYS H H 1 8.610 0.01 . 1 . . . . 36 LYS HN . 15512 1 404 . 1 1 36 36 LYS HA H 1 4.176 0.01 . 1 . . . . 36 LYS HA . 15512 1 405 . 1 1 36 36 LYS HB2 H 1 1.663 0.01 . 2 . . . . 36 LYS HB1 . 15512 1 406 . 1 1 36 36 LYS HB3 H 1 1.833 0.01 . 2 . . . . 36 LYS HB2 . 15512 1 407 . 1 1 36 36 LYS HE2 H 1 2.926 0.01 . 2 . . . . 36 LYS HE1 . 15512 1 408 . 1 1 36 36 LYS HE3 H 1 2.926 0.01 . 2 . . . . 36 LYS HE2 . 15512 1 409 . 1 1 36 36 LYS HG2 H 1 1.470 0.01 . 2 . . . . 36 LYS HG1 . 15512 1 410 . 1 1 36 36 LYS HG3 H 1 1.350 0.01 . 2 . . . . 36 LYS HG2 . 15512 1 411 . 1 1 36 36 LYS C C 13 175.846 0.1 . 1 . . . . 36 LYS C . 15512 1 412 . 1 1 36 36 LYS CA C 13 54.932 0.1 . 1 . . . . 36 LYS CA . 15512 1 413 . 1 1 36 36 LYS CB C 13 32.585 0.1 . 1 . . . . 36 LYS CB . 15512 1 414 . 1 1 36 36 LYS CG C 13 24.656 0.1 . 1 . . . . 36 LYS CG . 15512 1 415 . 1 1 36 36 LYS N N 15 122.462 0.1 . 1 . . . . 36 LYS N . 15512 1 416 . 1 1 37 37 PRO HA H 1 4.416 0.01 . 1 . . . . 37 PRO HA . 15512 1 417 . 1 1 37 37 PRO HB2 H 1 1.737 0.01 . 2 . . . . 37 PRO HB1 . 15512 1 418 . 1 1 37 37 PRO HB3 H 1 1.655 0.01 . 2 . . . . 37 PRO HB2 . 15512 1 419 . 1 1 37 37 PRO HD2 H 1 3.646 0.01 . 2 . . . . 37 PRO HD1 . 15512 1 420 . 1 1 37 37 PRO HD3 H 1 3.346 0.01 . 2 . . . . 37 PRO HD2 . 15512 1 421 . 1 1 37 37 PRO HG2 H 1 1.609 0.01 . 2 . . . . 37 PRO HG1 . 15512 1 422 . 1 1 37 37 PRO HG3 H 1 1.426 0.01 . 2 . . . . 37 PRO HG2 . 15512 1 423 . 1 1 37 37 PRO C C 13 176.523 0.1 . 1 . . . . 37 PRO C . 15512 1 424 . 1 1 37 37 PRO CA C 13 62.746 0.1 . 1 . . . . 37 PRO CA . 15512 1 425 . 1 1 37 37 PRO CB C 13 33.020 0.1 . 1 . . . . 37 PRO CB . 15512 1 426 . 1 1 37 37 PRO CD C 13 51.216 0.1 . 1 . . . . 37 PRO CD . 15512 1 427 . 1 1 37 37 PRO CG C 13 27.397 0.1 . 1 . . . . 37 PRO CG . 15512 1 428 . 1 1 38 38 LYS H H 1 9.148 0.01 . 1 . . . . 38 LYS HN . 15512 1 429 . 1 1 38 38 LYS HA H 1 4.362 0.01 . 1 . . . . 38 LYS HA . 15512 1 430 . 1 1 38 38 LYS HB2 H 1 1.633 0.01 . 2 . . . . 38 LYS HB1 . 15512 1 431 . 1 1 38 38 LYS HB3 H 1 1.777 0.01 . 2 . . . . 38 LYS HB2 . 15512 1 432 . 1 1 38 38 LYS HD2 H 1 1.676 0.01 . 2 . . . . 38 LYS HD1 . 15512 1 433 . 1 1 38 38 LYS HD3 H 1 1.676 0.01 . 2 . . . . 38 LYS HD2 . 15512 1 434 . 1 1 38 38 LYS HE2 H 1 2.996 0.01 . 2 . . . . 38 LYS HE1 . 15512 1 435 . 1 1 38 38 LYS HE3 H 1 2.996 0.01 . 2 . . . . 38 LYS HE2 . 15512 1 436 . 1 1 38 38 LYS HG2 H 1 1.565 0.01 . 2 . . . . 38 LYS HG1 . 15512 1 437 . 1 1 38 38 LYS HG3 H 1 1.403 0.01 . 2 . . . . 38 LYS HG2 . 15512 1 438 . 1 1 38 38 LYS C C 13 175.305 0.1 . 1 . . . . 38 LYS C . 15512 1 439 . 1 1 38 38 LYS CA C 13 56.140 0.1 . 1 . . . . 38 LYS CA . 15512 1 440 . 1 1 38 38 LYS CB C 13 34.014 0.1 . 1 . . . . 38 LYS CB . 15512 1 441 . 1 1 38 38 LYS CD C 13 29.024 0.1 . 1 . . . . 38 LYS CD . 15512 1 442 . 1 1 38 38 LYS CE C 13 42.421 0.1 . 1 . . . . 38 LYS CE . 15512 1 443 . 1 1 38 38 LYS CG C 13 25.547 0.1 . 1 . . . . 38 LYS CG . 15512 1 444 . 1 1 38 38 LYS N N 15 123.190 0.1 . 1 . . . . 38 LYS N . 15512 1 445 . 1 1 39 39 ILE H H 1 7.813 0.01 . 1 . . . . 39 ILE HN . 15512 1 446 . 1 1 39 39 ILE HA H 1 5.008 0.01 . 1 . . . . 39 ILE HA . 15512 1 447 . 1 1 39 39 ILE HB H 1 1.702 0.01 . 1 . . . . 39 ILE HB . 15512 1 448 . 1 1 39 39 ILE HD11 H 1 0.623 0.01 . 1 . . . . 39 ILE HD11 . 15512 1 449 . 1 1 39 39 ILE HD12 H 1 0.623 0.01 . 1 . . . . 39 ILE HD11 . 15512 1 450 . 1 1 39 39 ILE HD13 H 1 0.623 0.01 . 1 . . . . 39 ILE HD11 . 15512 1 451 . 1 1 39 39 ILE HG12 H 1 1.328 0.01 . 1 . . . . 39 ILE HG11 . 15512 1 452 . 1 1 39 39 ILE HG13 H 1 1.328 0.01 . 1 . . . . 39 ILE HG12 . 15512 1 453 . 1 1 39 39 ILE HG21 H 1 0.666 0.01 . 1 . . . . 39 ILE HG21 . 15512 1 454 . 1 1 39 39 ILE HG22 H 1 0.666 0.01 . 1 . . . . 39 ILE HG21 . 15512 1 455 . 1 1 39 39 ILE HG23 H 1 0.666 0.01 . 1 . . . . 39 ILE HG21 . 15512 1 456 . 1 1 39 39 ILE C C 13 175.214 0.1 . 1 . . . . 39 ILE C . 15512 1 457 . 1 1 39 39 ILE CA C 13 57.604 0.1 . 1 . . . . 39 ILE CA . 15512 1 458 . 1 1 39 39 ILE CB C 13 39.265 0.1 . 1 . . . . 39 ILE CB . 15512 1 459 . 1 1 39 39 ILE CD1 C 13 11.589 0.1 . 1 . . . . 39 ILE CD1 . 15512 1 460 . 1 1 39 39 ILE CG1 C 13 26.293 0.1 . 1 . . . . 39 ILE CG1 . 15512 1 461 . 1 1 39 39 ILE CG2 C 13 18.159 0.1 . 1 . . . . 39 ILE CG2 . 15512 1 462 . 1 1 39 39 ILE N N 15 120.834 0.1 . 1 . . . . 39 ILE N . 15512 1 463 . 1 1 40 40 TYR H H 1 8.958 0.01 . 1 . . . . 40 TYR HN . 15512 1 464 . 1 1 40 40 TYR HA H 1 4.640 0.01 . 1 . . . . 40 TYR HA . 15512 1 465 . 1 1 40 40 TYR HB2 H 1 2.711 0.01 . 2 . . . . 40 TYR HB1 . 15512 1 466 . 1 1 40 40 TYR HB3 H 1 2.711 0.01 . 2 . . . . 40 TYR HB2 . 15512 1 467 . 1 1 40 40 TYR HD1 H 1 7.010 0.01 . 3 . . . . 40 TYR HD1 . 15512 1 468 . 1 1 40 40 TYR HD2 H 1 7.010 0.01 . 3 . . . . 40 TYR HD2 . 15512 1 469 . 1 1 40 40 TYR HE1 H 1 6.656 0.01 . 3 . . . . 40 TYR HE1 . 15512 1 470 . 1 1 40 40 TYR HE2 H 1 6.656 0.01 . 3 . . . . 40 TYR HE2 . 15512 1 471 . 1 1 40 40 TYR C C 13 173.150 0.1 . 1 . . . . 40 TYR C . 15512 1 472 . 1 1 40 40 TYR CA C 13 56.118 0.1 . 1 . . . . 40 TYR CA . 15512 1 473 . 1 1 40 40 TYR CB C 13 42.861 0.1 . 1 . . . . 40 TYR CB . 15512 1 474 . 1 1 40 40 TYR CD1 C 13 133.838 0.1 . 3 . . . . 40 TYR CD1 . 15512 1 475 . 1 1 40 40 TYR CD2 C 13 133.838 0.1 . 3 . . . . 40 TYR CD2 . 15512 1 476 . 1 1 40 40 TYR CE1 C 13 117.437 0.1 . 3 . . . . 40 TYR CE1 . 15512 1 477 . 1 1 40 40 TYR CE2 C 13 117.437 0.1 . 3 . . . . 40 TYR CE2 . 15512 1 478 . 1 1 40 40 TYR N N 15 125.937 0.1 . 1 . . . . 40 TYR N . 15512 1 479 . 1 1 41 41 TRP H H 1 8.822 0.01 . 1 . . . . 41 TRP HN . 15512 1 480 . 1 1 41 41 TRP HA H 1 5.514 0.01 . 1 . . . . 41 TRP HA . 15512 1 481 . 1 1 41 41 TRP HB2 H 1 2.777 0.01 . 2 . . . . 41 TRP HB1 . 15512 1 482 . 1 1 41 41 TRP HB3 H 1 2.934 0.01 . 2 . . . . 41 TRP HB2 . 15512 1 483 . 1 1 41 41 TRP HD1 H 1 7.069 0.01 . 1 . . . . 41 TRP HD1 . 15512 1 484 . 1 1 41 41 TRP HE1 H 1 10.431 0.01 . 1 . . . . 41 TRP HE1 . 15512 1 485 . 1 1 41 41 TRP HE3 H 1 7.273 0.01 . 1 . . . . 41 TRP HE3 . 15512 1 486 . 1 1 41 41 TRP HH2 H 1 6.727 0.01 . 1 . . . . 41 TRP HH2 . 15512 1 487 . 1 1 41 41 TRP HZ2 H 1 6.818 0.01 . 1 . . . . 41 TRP HZ2 . 15512 1 488 . 1 1 41 41 TRP HZ3 H 1 6.871 0.01 . 1 . . . . 41 TRP HZ3 . 15512 1 489 . 1 1 41 41 TRP C C 13 173.150 0.1 . 1 . . . . 41 TRP C . 15512 1 490 . 1 1 41 41 TRP CA C 13 56.113 0.1 . 1 . . . . 41 TRP CA . 15512 1 491 . 1 1 41 41 TRP CB C 13 32.773 0.1 . 1 . . . . 41 TRP CB . 15512 1 492 . 1 1 41 41 TRP CD1 C 13 126.641 0.1 . 1 . . . . 41 TRP CD1 . 15512 1 493 . 1 1 41 41 TRP CE3 C 13 120.312 0.1 . 1 . . . . 41 TRP CE3 . 15512 1 494 . 1 1 41 41 TRP CH2 C 13 123.359 0.1 . 1 . . . . 41 TRP CH2 . 15512 1 495 . 1 1 41 41 TRP CZ2 C 13 113.838 0.1 . 1 . . . . 41 TRP CZ2 . 15512 1 496 . 1 1 41 41 TRP CZ3 C 13 119.140 0.1 . 1 . . . . 41 TRP CZ3 . 15512 1 497 . 1 1 41 41 TRP N N 15 121.610 0.1 . 1 . . . . 41 TRP N . 15512 1 498 . 1 1 41 41 TRP NE1 N 15 130.182 0.1 . 1 . . . . 41 TRP NE1 . 15512 1 499 . 1 1 42 42 PHE H H 1 9.759 0.01 . 1 . . . . 42 PHE HN . 15512 1 500 . 1 1 42 42 PHE HA H 1 5.134 0.01 . 1 . . . . 42 PHE HA . 15512 1 501 . 1 1 42 42 PHE HB2 H 1 2.784 0.01 . 2 . . . . 42 PHE HB1 . 15512 1 502 . 1 1 42 42 PHE HB3 H 1 2.423 0.01 . 2 . . . . 42 PHE HB2 . 15512 1 503 . 1 1 42 42 PHE HD1 H 1 6.835 0.01 . 3 . . . . 42 PHE HD1 . 15512 1 504 . 1 1 42 42 PHE HD2 H 1 6.835 0.01 . 3 . . . . 42 PHE HD2 . 15512 1 505 . 1 1 42 42 PHE HE1 H 1 6.851 0.01 . 3 . . . . 42 PHE HE1 . 15512 1 506 . 1 1 42 42 PHE HE2 H 1 6.851 0.01 . 3 . . . . 42 PHE HE2 . 15512 1 507 . 1 1 42 42 PHE C C 13 174.282 0.1 . 1 . . . . 42 PHE C . 15512 1 508 . 1 1 42 42 PHE CA C 13 56.043 0.1 . 1 . . . . 42 PHE CA . 15512 1 509 . 1 1 42 42 PHE CB C 13 43.638 0.1 . 1 . . . . 42 PHE CB . 15512 1 510 . 1 1 42 42 PHE CD1 C 13 131.564 0.1 . 3 . . . . 42 PHE CD1 . 15512 1 511 . 1 1 42 42 PHE CD2 C 13 131.564 0.1 . 3 . . . . 42 PHE CD2 . 15512 1 512 . 1 1 42 42 PHE CE1 C 13 131.564 0.1 . 3 . . . . 42 PHE CE1 . 15512 1 513 . 1 1 42 42 PHE CE2 C 13 131.564 0.1 . 3 . . . . 42 PHE CE2 . 15512 1 514 . 1 1 42 42 PHE N N 15 117.888 0.1 . 1 . . . . 42 PHE N . 15512 1 515 . 1 1 43 43 LYS H H 1 8.847 0.01 . 1 . . . . 43 LYS HN . 15512 1 516 . 1 1 43 43 LYS HA H 1 4.652 0.01 . 1 . . . . 43 LYS HA . 15512 1 517 . 1 1 43 43 LYS HB2 H 1 1.650 0.01 . 2 . . . . 43 LYS HB1 . 15512 1 518 . 1 1 43 43 LYS HB3 H 1 1.186 0.01 . 2 . . . . 43 LYS HB2 . 15512 1 519 . 1 1 43 43 LYS HD2 H 1 1.192 0.01 . 2 . . . . 43 LYS HD1 . 15512 1 520 . 1 1 43 43 LYS HD3 H 1 1.509 0.01 . 2 . . . . 43 LYS HD2 . 15512 1 521 . 1 1 43 43 LYS HE2 H 1 3.133 0.01 . 2 . . . . 43 LYS HE1 . 15512 1 522 . 1 1 43 43 LYS HE3 H 1 2.456 0.01 . 2 . . . . 43 LYS HE2 . 15512 1 523 . 1 1 43 43 LYS HG2 H 1 0.668 0.01 . 2 . . . . 43 LYS HG1 . 15512 1 524 . 1 1 43 43 LYS HG3 H 1 0.645 0.01 . 2 . . . . 43 LYS HG2 . 15512 1 525 . 1 1 43 43 LYS C C 13 174.282 0.1 . 1 . . . . 43 LYS C . 15512 1 526 . 1 1 43 43 LYS CA C 13 54.905 0.1 . 1 . . . . 43 LYS CA . 15512 1 527 . 1 1 43 43 LYS CB C 13 34.153 0.1 . 1 . . . . 43 LYS CB . 15512 1 528 . 1 1 43 43 LYS CD C 13 28.674 0.1 . 1 . . . . 43 LYS CD . 15512 1 529 . 1 1 43 43 LYS CE C 13 43.850 0.1 . 1 . . . . 43 LYS CE . 15512 1 530 . 1 1 43 43 LYS CG C 13 25.648 0.1 . 1 . . . . 43 LYS CG . 15512 1 531 . 1 1 43 43 LYS N N 15 121.414 0.1 . 1 . . . . 43 LYS N . 15512 1 532 . 1 1 44 44 ASP H H 1 9.621 0.01 . 1 . . . . 44 ASP HN . 15512 1 533 . 1 1 44 44 ASP HA H 1 4.337 0.01 . 1 . . . . 44 ASP HA . 15512 1 534 . 1 1 44 44 ASP HB2 H 1 2.899 0.01 . 2 . . . . 44 ASP HB1 . 15512 1 535 . 1 1 44 44 ASP HB3 H 1 2.662 0.01 . 2 . . . . 44 ASP HB2 . 15512 1 536 . 1 1 44 44 ASP C C 13 176.033 0.1 . 1 . . . . 44 ASP C . 15512 1 537 . 1 1 44 44 ASP CA C 13 56.126 0.1 . 1 . . . . 44 ASP CA . 15512 1 538 . 1 1 44 44 ASP CB C 13 40.419 0.1 . 1 . . . . 44 ASP CB . 15512 1 539 . 1 1 44 44 ASP N N 15 128.809 0.1 . 1 . . . . 44 ASP N . 15512 1 540 . 1 1 45 45 GLY H H 1 8.306 0.01 . 1 . . . . 45 GLY HN . 15512 1 541 . 1 1 45 45 GLY HA2 H 1 3.493 0.01 . 2 . . . . 45 GLY HA1 . 15512 1 542 . 1 1 45 45 GLY HA3 H 1 4.160 0.01 . 2 . . . . 45 GLY HA2 . 15512 1 543 . 1 1 45 45 GLY C C 13 173.530 0.1 . 1 . . . . 45 GLY C . 15512 1 544 . 1 1 45 45 GLY CA C 13 45.402 0.1 . 1 . . . . 45 GLY CA . 15512 1 545 . 1 1 45 45 GLY N N 15 101.859 0.1 . 1 . . . . 45 GLY N . 15512 1 546 . 1 1 46 46 LYS H H 1 8.044 0.01 . 1 . . . . 46 LYS HN . 15512 1 547 . 1 1 46 46 LYS HA H 1 4.772 0.01 . 1 . . . . 46 LYS HA . 15512 1 548 . 1 1 46 46 LYS HB2 H 1 1.928 0.01 . 2 . . . . 46 LYS HB1 . 15512 1 549 . 1 1 46 46 LYS HB3 H 1 1.928 0.01 . 2 . . . . 46 LYS HB2 . 15512 1 550 . 1 1 46 46 LYS HD2 H 1 1.765 0.01 . 2 . . . . 46 LYS HD1 . 15512 1 551 . 1 1 46 46 LYS HD3 H 1 1.765 0.01 . 2 . . . . 46 LYS HD2 . 15512 1 552 . 1 1 46 46 LYS HE2 H 1 3.073 0.01 . 2 . . . . 46 LYS HE1 . 15512 1 553 . 1 1 46 46 LYS HE3 H 1 3.073 0.01 . 2 . . . . 46 LYS HE2 . 15512 1 554 . 1 1 46 46 LYS HG2 H 1 1.488 0.01 . 2 . . . . 46 LYS HG1 . 15512 1 555 . 1 1 46 46 LYS HG3 H 1 1.488 0.01 . 2 . . . . 46 LYS HG2 . 15512 1 556 . 1 1 46 46 LYS C C 13 176.025 0.1 . 1 . . . . 46 LYS C . 15512 1 557 . 1 1 46 46 LYS CA C 13 54.783 0.1 . 1 . . . . 46 LYS CA . 15512 1 558 . 1 1 46 46 LYS CB C 13 33.676 0.1 . 1 . . . . 46 LYS CB . 15512 1 559 . 1 1 46 46 LYS CD C 13 28.900 0.1 . 1 . . . . 46 LYS CD . 15512 1 560 . 1 1 46 46 LYS CE C 13 42.309 0.1 . 1 . . . . 46 LYS CE . 15512 1 561 . 1 1 46 46 LYS CG C 13 24.690 0.1 . 1 . . . . 46 LYS CG . 15512 1 562 . 1 1 46 46 LYS N N 15 122.206 0.1 . 1 . . . . 46 LYS N . 15512 1 563 . 1 1 47 47 GLN H H 1 9.178 0.01 . 1 . . . . 47 GLN HN . 15512 1 564 . 1 1 47 47 GLN HA H 1 3.945 0.01 . 1 . . . . 47 GLN HA . 15512 1 565 . 1 1 47 47 GLN HB2 H 1 1.855 0.01 . 2 . . . . 47 GLN HB1 . 15512 1 566 . 1 1 47 47 GLN HB3 H 1 1.855 0.01 . 2 . . . . 47 GLN HB2 . 15512 1 567 . 1 1 47 47 GLN HE21 H 1 7.541 0.01 . 2 . . . . 47 GLN HE21 . 15512 1 568 . 1 1 47 47 GLN HE22 H 1 6.921 0.01 . 2 . . . . 47 GLN HE22 . 15512 1 569 . 1 1 47 47 GLN HG2 H 1 2.151 0.01 . 2 . . . . 47 GLN HG1 . 15512 1 570 . 1 1 47 47 GLN HG3 H 1 2.151 0.01 . 2 . . . . 47 GLN HG2 . 15512 1 571 . 1 1 47 47 GLN C C 13 176.121 0.1 . 1 . . . . 47 GLN C . 15512 1 572 . 1 1 47 47 GLN CA C 13 57.180 0.1 . 1 . . . . 47 GLN CA . 15512 1 573 . 1 1 47 47 GLN CB C 13 28.566 0.1 . 1 . . . . 47 GLN CB . 15512 1 574 . 1 1 47 47 GLN CG C 13 33.586 0.1 . 1 . . . . 47 GLN CG . 15512 1 575 . 1 1 47 47 GLN N N 15 127.830 0.1 . 1 . . . . 47 GLN N . 15512 1 576 . 1 1 47 47 GLN NE2 N 15 110.624 0.1 . 1 . . . . 47 GLN NE2 . 15512 1 577 . 1 1 48 48 ILE H H 1 8.734 0.01 . 1 . . . . 48 ILE HN . 15512 1 578 . 1 1 48 48 ILE HA H 1 4.010 0.01 . 1 . . . . 48 ILE HA . 15512 1 579 . 1 1 48 48 ILE HB H 1 1.476 0.01 . 1 . . . . 48 ILE HB . 15512 1 580 . 1 1 48 48 ILE HD11 H 1 0.401 0.01 . 1 . . . . 48 ILE HD11 . 15512 1 581 . 1 1 48 48 ILE HD12 H 1 0.401 0.01 . 1 . . . . 48 ILE HD11 . 15512 1 582 . 1 1 48 48 ILE HD13 H 1 0.401 0.01 . 1 . . . . 48 ILE HD11 . 15512 1 583 . 1 1 48 48 ILE HG12 H 1 1.385 0.01 . 1 . . . . 48 ILE HG11 . 15512 1 584 . 1 1 48 48 ILE HG13 H 1 0.933 0.01 . 1 . . . . 48 ILE HG12 . 15512 1 585 . 1 1 48 48 ILE HG21 H 1 0.841 0.01 . 1 . . . . 48 ILE HG21 . 15512 1 586 . 1 1 48 48 ILE HG22 H 1 0.841 0.01 . 1 . . . . 48 ILE HG21 . 15512 1 587 . 1 1 48 48 ILE HG23 H 1 0.841 0.01 . 1 . . . . 48 ILE HG21 . 15512 1 588 . 1 1 48 48 ILE C C 13 175.265 0.1 . 1 . . . . 48 ILE C . 15512 1 589 . 1 1 48 48 ILE CA C 13 60.632 0.1 . 1 . . . . 48 ILE CA . 15512 1 590 . 1 1 48 48 ILE CB C 13 38.867 0.1 . 1 . . . . 48 ILE CB . 15512 1 591 . 1 1 48 48 ILE CD1 C 13 13.442 0.1 . 1 . . . . 48 ILE CD1 . 15512 1 592 . 1 1 48 48 ILE CG1 C 13 27.654 0.1 . 1 . . . . 48 ILE CG1 . 15512 1 593 . 1 1 48 48 ILE CG2 C 13 17.771 0.1 . 1 . . . . 48 ILE CG2 . 15512 1 594 . 1 1 48 48 ILE N N 15 128.936 0.1 . 1 . . . . 48 ILE N . 15512 1 595 . 1 1 49 49 SER H H 1 8.701 0.01 . 1 . . . . 49 SER HN . 15512 1 596 . 1 1 49 49 SER HA H 1 4.855 0.01 . 1 . . . . 49 SER HA . 15512 1 597 . 1 1 49 49 SER HB2 H 1 3.781 0.01 . 2 . . . . 49 SER HB1 . 15512 1 598 . 1 1 49 49 SER HB3 H 1 4.156 0.01 . 2 . . . . 49 SER HB2 . 15512 1 599 . 1 1 49 49 SER C C 13 175.265 0.1 . 1 . . . . 49 SER C . 15512 1 600 . 1 1 49 49 SER CA C 13 55.416 0.1 . 1 . . . . 49 SER CA . 15512 1 601 . 1 1 49 49 SER CB C 13 64.325 0.1 . 1 . . . . 49 SER CB . 15512 1 602 . 1 1 49 49 SER N N 15 122.862 0.1 . 1 . . . . 49 SER N . 15512 1 603 . 1 1 50 50 PRO HA H 1 4.537 0.01 . 1 . . . . 50 PRO HA . 15512 1 604 . 1 1 50 50 PRO HB2 H 1 2.061 0.01 . 2 . . . . 50 PRO HB1 . 15512 1 605 . 1 1 50 50 PRO HB3 H 1 2.451 0.01 . 2 . . . . 50 PRO HB2 . 15512 1 606 . 1 1 50 50 PRO HD2 H 1 4.009 0.01 . 2 . . . . 50 PRO HD1 . 15512 1 607 . 1 1 50 50 PRO HD3 H 1 3.959 0.01 . 2 . . . . 50 PRO HD2 . 15512 1 608 . 1 1 50 50 PRO HG2 H 1 2.090 0.01 . 2 . . . . 50 PRO HG1 . 15512 1 609 . 1 1 50 50 PRO HG3 H 1 2.090 0.01 . 2 . . . . 50 PRO HG2 . 15512 1 610 . 1 1 50 50 PRO C C 13 176.963 0.1 . 1 . . . . 50 PRO C . 15512 1 611 . 1 1 50 50 PRO CA C 13 64.393 0.1 . 1 . . . . 50 PRO CA . 15512 1 612 . 1 1 50 50 PRO CB C 13 32.141 0.1 . 1 . . . . 50 PRO CB . 15512 1 613 . 1 1 50 50 PRO CD C 13 51.371 0.1 . 1 . . . . 50 PRO CD . 15512 1 614 . 1 1 50 50 PRO CG C 13 27.661 0.1 . 1 . . . . 50 PRO CG . 15512 1 615 . 1 1 51 51 LYS H H 1 8.076 0.01 . 1 . . . . 51 LYS HN . 15512 1 616 . 1 1 51 51 LYS HA H 1 4.474 0.01 . 1 . . . . 51 LYS HA . 15512 1 617 . 1 1 51 51 LYS HB2 H 1 1.614 0.01 . 2 . . . . 51 LYS HB1 . 15512 1 618 . 1 1 51 51 LYS HB3 H 1 2.027 0.01 . 2 . . . . 51 LYS HB2 . 15512 1 619 . 1 1 51 51 LYS HD2 H 1 1.664 0.01 . 2 . . . . 51 LYS HD1 . 15512 1 620 . 1 1 51 51 LYS HD3 H 1 1.664 0.01 . 2 . . . . 51 LYS HD2 . 15512 1 621 . 1 1 51 51 LYS HE2 H 1 2.990 0.01 . 2 . . . . 51 LYS HE1 . 15512 1 622 . 1 1 51 51 LYS HE3 H 1 2.990 0.01 . 2 . . . . 51 LYS HE2 . 15512 1 623 . 1 1 51 51 LYS HG2 H 1 1.374 0.01 . 2 . . . . 51 LYS HG1 . 15512 1 624 . 1 1 51 51 LYS HG3 H 1 1.423 0.01 . 2 . . . . 51 LYS HG2 . 15512 1 625 . 1 1 51 51 LYS C C 13 176.134 0.1 . 1 . . . . 51 LYS C . 15512 1 626 . 1 1 51 51 LYS CA C 13 55.303 0.1 . 1 . . . . 51 LYS CA . 15512 1 627 . 1 1 51 51 LYS CB C 13 31.939 0.1 . 1 . . . . 51 LYS CB . 15512 1 628 . 1 1 51 51 LYS CD C 13 28.842 0.1 . 1 . . . . 51 LYS CD . 15512 1 629 . 1 1 51 51 LYS CE C 13 42.180 0.1 . 1 . . . . 51 LYS CE . 15512 1 630 . 1 1 51 51 LYS CG C 13 25.002 0.1 . 1 . . . . 51 LYS CG . 15512 1 631 . 1 1 51 51 LYS N N 15 116.993 0.1 . 1 . . . . 51 LYS N . 15512 1 632 . 1 1 52 52 SER H H 1 7.708 0.01 . 1 . . . . 52 SER HN . 15512 1 633 . 1 1 52 52 SER HA H 1 4.370 0.01 . 1 . . . . 52 SER HA . 15512 1 634 . 1 1 52 52 SER HB2 H 1 3.844 0.01 . 2 . . . . 52 SER HB1 . 15512 1 635 . 1 1 52 52 SER HB3 H 1 3.844 0.01 . 2 . . . . 52 SER HB2 . 15512 1 636 . 1 1 52 52 SER C C 13 174.881 0.1 . 1 . . . . 52 SER C . 15512 1 637 . 1 1 52 52 SER CA C 13 58.931 0.1 . 1 . . . . 52 SER CA . 15512 1 638 . 1 1 52 52 SER CB C 13 63.873 0.1 . 1 . . . . 52 SER CB . 15512 1 639 . 1 1 52 52 SER N N 15 114.547 0.1 . 1 . . . . 52 SER N . 15512 1 640 . 1 1 53 53 ASP H H 1 8.515 0.01 . 1 . . . . 53 ASP HN . 15512 1 641 . 1 1 53 53 ASP HA H 1 4.661 0.01 . 1 . . . . 53 ASP HA . 15512 1 642 . 1 1 53 53 ASP HB2 H 1 2.830 0.01 . 2 . . . . 53 ASP HB1 . 15512 1 643 . 1 1 53 53 ASP HB3 H 1 2.695 0.01 . 2 . . . . 53 ASP HB2 . 15512 1 644 . 1 1 53 53 ASP C C 13 175.959 0.1 . 1 . . . . 53 ASP C . 15512 1 645 . 1 1 53 53 ASP CA C 13 54.393 0.1 . 1 . . . . 53 ASP CA . 15512 1 646 . 1 1 53 53 ASP CB C 13 40.953 0.1 . 1 . . . . 53 ASP CB . 15512 1 647 . 1 1 53 53 ASP N N 15 124.284 0.1 . 1 . . . . 53 ASP N . 15512 1 648 . 1 1 54 54 HIS H H 1 8.368 0.01 . 1 . . . . 54 HIS HN . 15512 1 649 . 1 1 54 54 HIS HA H 1 4.588 0.01 . 1 . . . . 54 HIS HA . 15512 1 650 . 1 1 54 54 HIS HB2 H 1 2.982 0.01 . 2 . . . . 54 HIS HB1 . 15512 1 651 . 1 1 54 54 HIS HB3 H 1 2.481 0.01 . 2 . . . . 54 HIS HB2 . 15512 1 652 . 1 1 54 54 HIS HD2 H 1 5.831 0.01 . 1 . . . . 54 HIS HD2 . 15512 1 653 . 1 1 54 54 HIS HE1 H 1 5.834 0.01 . 1 . . . . 54 HIS HE1 . 15512 1 654 . 1 1 54 54 HIS C C 13 173.977 0.1 . 1 . . . . 54 HIS C . 15512 1 655 . 1 1 54 54 HIS CA C 13 56.741 0.1 . 1 . . . . 54 HIS CA . 15512 1 656 . 1 1 54 54 HIS CB C 13 31.018 0.1 . 1 . . . . 54 HIS CB . 15512 1 657 . 1 1 54 54 HIS CD2 C 13 119.693 0.1 . 1 . . . . 54 HIS CD2 . 15512 1 658 . 1 1 54 54 HIS CE1 C 13 133.038 0.1 . 1 . . . . 54 HIS CE1 . 15512 1 659 . 1 1 54 54 HIS N N 15 118.141 0.1 . 1 . . . . 54 HIS N . 15512 1 660 . 1 1 55 55 TYR H H 1 7.851 0.01 . 1 . . . . 55 TYR HN . 15512 1 661 . 1 1 55 55 TYR HA H 1 4.947 0.01 . 1 . . . . 55 TYR HA . 15512 1 662 . 1 1 55 55 TYR HB2 H 1 2.638 0.01 . 2 . . . . 55 TYR HB1 . 15512 1 663 . 1 1 55 55 TYR HB3 H 1 2.638 0.01 . 2 . . . . 55 TYR HB2 . 15512 1 664 . 1 1 55 55 TYR HD1 H 1 6.932 0.01 . 3 . . . . 55 TYR HD1 . 15512 1 665 . 1 1 55 55 TYR HD2 H 1 6.932 0.01 . 3 . . . . 55 TYR HD2 . 15512 1 666 . 1 1 55 55 TYR HE1 H 1 6.846 0.01 . 3 . . . . 55 TYR HE1 . 15512 1 667 . 1 1 55 55 TYR HE2 H 1 6.846 0.01 . 3 . . . . 55 TYR HE2 . 15512 1 668 . 1 1 55 55 TYR C C 13 175.154 0.1 . 1 . . . . 55 TYR C . 15512 1 669 . 1 1 55 55 TYR CA C 13 55.439 0.1 . 1 . . . . 55 TYR CA . 15512 1 670 . 1 1 55 55 TYR CB C 13 40.720 0.1 . 1 . . . . 55 TYR CB . 15512 1 671 . 1 1 55 55 TYR CD1 C 13 133.673 0.1 . 3 . . . . 55 TYR CD1 . 15512 1 672 . 1 1 55 55 TYR CD2 C 13 133.673 0.1 . 3 . . . . 55 TYR CD2 . 15512 1 673 . 1 1 55 55 TYR CE1 C 13 118.905 0.1 . 3 . . . . 55 TYR CE1 . 15512 1 674 . 1 1 55 55 TYR CE2 C 13 118.905 0.1 . 3 . . . . 55 TYR CE2 . 15512 1 675 . 1 1 55 55 TYR N N 15 117.464 0.1 . 1 . . . . 55 TYR N . 15512 1 676 . 1 1 56 56 THR H H 1 9.132 0.01 . 1 . . . . 56 THR HN . 15512 1 677 . 1 1 56 56 THR HA H 1 4.496 0.01 . 1 . . . . 56 THR HA . 15512 1 678 . 1 1 56 56 THR HB H 1 3.811 0.01 . 1 . . . . 56 THR HB . 15512 1 679 . 1 1 56 56 THR HG21 H 1 1.130 0.01 . 1 . . . . 56 THR HG21 . 15512 1 680 . 1 1 56 56 THR HG22 H 1 1.130 0.01 . 1 . . . . 56 THR HG21 . 15512 1 681 . 1 1 56 56 THR HG23 H 1 1.130 0.01 . 1 . . . . 56 THR HG21 . 15512 1 682 . 1 1 56 56 THR C C 13 173.981 0.1 . 1 . . . . 56 THR C . 15512 1 683 . 1 1 56 56 THR CA C 13 61.792 0.1 . 1 . . . . 56 THR CA . 15512 1 684 . 1 1 56 56 THR CB C 13 70.278 0.1 . 1 . . . . 56 THR CB . 15512 1 685 . 1 1 56 56 THR CG2 C 13 21.856 0.1 . 1 . . . . 56 THR CG2 . 15512 1 686 . 1 1 56 56 THR N N 15 117.404 0.1 . 1 . . . . 56 THR N . 15512 1 687 . 1 1 57 57 ILE H H 1 8.970 0.01 . 1 . . . . 57 ILE HN . 15512 1 688 . 1 1 57 57 ILE HA H 1 4.640 0.01 . 1 . . . . 57 ILE HA . 15512 1 689 . 1 1 57 57 ILE HB H 1 1.626 0.01 . 1 . . . . 57 ILE HB . 15512 1 690 . 1 1 57 57 ILE HD11 H 1 0.636 0.01 . 1 . . . . 57 ILE HD11 . 15512 1 691 . 1 1 57 57 ILE HD12 H 1 0.636 0.01 . 1 . . . . 57 ILE HD11 . 15512 1 692 . 1 1 57 57 ILE HD13 H 1 0.636 0.01 . 1 . . . . 57 ILE HD11 . 15512 1 693 . 1 1 57 57 ILE HG12 H 1 1.268 0.01 . 1 . . . . 57 ILE HG11 . 15512 1 694 . 1 1 57 57 ILE HG13 H 1 0.421 0.01 . 1 . . . . 57 ILE HG12 . 15512 1 695 . 1 1 57 57 ILE HG21 H 1 0.889 0.01 . 1 . . . . 57 ILE HG21 . 15512 1 696 . 1 1 57 57 ILE HG22 H 1 0.889 0.01 . 1 . . . . 57 ILE HG21 . 15512 1 697 . 1 1 57 57 ILE HG23 H 1 0.889 0.01 . 1 . . . . 57 ILE HG21 . 15512 1 698 . 1 1 57 57 ILE C C 13 175.472 0.1 . 1 . . . . 57 ILE C . 15512 1 699 . 1 1 57 57 ILE CA C 13 60.715 0.1 . 1 . . . . 57 ILE CA . 15512 1 700 . 1 1 57 57 ILE CB C 13 40.128 0.1 . 1 . . . . 57 ILE CB . 15512 1 701 . 1 1 57 57 ILE CD1 C 13 13.623 0.1 . 1 . . . . 57 ILE CD1 . 15512 1 702 . 1 1 57 57 ILE CG1 C 13 28.097 0.1 . 1 . . . . 57 ILE CG1 . 15512 1 703 . 1 1 57 57 ILE CG2 C 13 18.461 0.1 . 1 . . . . 57 ILE CG2 . 15512 1 704 . 1 1 57 57 ILE N N 15 130.630 0.1 . 1 . . . . 57 ILE N . 15512 1 705 . 1 1 58 58 GLN H H 1 8.902 0.01 . 1 . . . . 58 GLN HN . 15512 1 706 . 1 1 58 58 GLN HA H 1 4.830 0.01 . 1 . . . . 58 GLN HA . 15512 1 707 . 1 1 58 58 GLN HB2 H 1 1.998 0.01 . 2 . . . . 58 GLN HB1 . 15512 1 708 . 1 1 58 58 GLN HB3 H 1 1.864 0.01 . 2 . . . . 58 GLN HB2 . 15512 1 709 . 1 1 58 58 GLN HE21 H 1 7.688 0.01 . 2 . . . . 58 GLN HE21 . 15512 1 710 . 1 1 58 58 GLN HE22 H 1 6.644 0.01 . 2 . . . . 58 GLN HE22 . 15512 1 711 . 1 1 58 58 GLN HG2 H 1 2.223 0.01 . 2 . . . . 58 GLN HG1 . 15512 1 712 . 1 1 58 58 GLN HG3 H 1 2.171 0.01 . 2 . . . . 58 GLN HG2 . 15512 1 713 . 1 1 58 58 GLN C C 13 174.728 0.1 . 1 . . . . 58 GLN C . 15512 1 714 . 1 1 58 58 GLN CA C 13 54.556 0.1 . 1 . . . . 58 GLN CA . 15512 1 715 . 1 1 58 58 GLN CB C 13 33.299 0.1 . 1 . . . . 58 GLN CB . 15512 1 716 . 1 1 58 58 GLN CG C 13 34.025 0.1 . 1 . . . . 58 GLN CG . 15512 1 717 . 1 1 58 58 GLN N N 15 126.626 0.1 . 1 . . . . 58 GLN N . 15512 1 718 . 1 1 58 58 GLN NE2 N 15 112.409 0.1 . 1 . . . . 58 GLN NE2 . 15512 1 719 . 1 1 59 59 ARG H H 1 8.725 0.01 . 1 . . . . 59 ARG HN . 15512 1 720 . 1 1 59 59 ARG HA H 1 5.231 0.01 . 1 . . . . 59 ARG HA . 15512 1 721 . 1 1 59 59 ARG HB2 H 1 1.788 0.01 . 2 . . . . 59 ARG HB1 . 15512 1 722 . 1 1 59 59 ARG HB3 H 1 1.788 0.01 . 2 . . . . 59 ARG HB2 . 15512 1 723 . 1 1 59 59 ARG HD2 H 1 3.023 0.01 . 2 . . . . 59 ARG HD1 . 15512 1 724 . 1 1 59 59 ARG HD3 H 1 3.128 0.01 . 2 . . . . 59 ARG HD2 . 15512 1 725 . 1 1 59 59 ARG HG2 H 1 1.610 0.01 . 2 . . . . 59 ARG HG1 . 15512 1 726 . 1 1 59 59 ARG HG3 H 1 1.828 0.01 . 2 . . . . 59 ARG HG2 . 15512 1 727 . 1 1 59 59 ARG C C 13 174.508 0.1 . 1 . . . . 59 ARG C . 15512 1 728 . 1 1 59 59 ARG CA C 13 55.877 0.1 . 1 . . . . 59 ARG CA . 15512 1 729 . 1 1 59 59 ARG CB C 13 33.320 0.1 . 1 . . . . 59 ARG CB . 15512 1 730 . 1 1 59 59 ARG CD C 13 44.798 0.1 . 1 . . . . 59 ARG CD . 15512 1 731 . 1 1 59 59 ARG CG C 13 26.579 0.1 . 1 . . . . 59 ARG CG . 15512 1 732 . 1 1 59 59 ARG N N 15 126.189 0.1 . 1 . . . . 59 ARG N . 15512 1 733 . 1 1 60 60 ASP H H 1 8.953 0.01 . 1 . . . . 60 ASP HN . 15512 1 734 . 1 1 60 60 ASP HA H 1 5.084 0.01 . 1 . . . . 60 ASP HA . 15512 1 735 . 1 1 60 60 ASP HB2 H 1 2.839 0.01 . 2 . . . . 60 ASP HB1 . 15512 1 736 . 1 1 60 60 ASP HB3 H 1 3.019 0.01 . 2 . . . . 60 ASP HB2 . 15512 1 737 . 1 1 60 60 ASP C C 13 178.055 0.1 . 1 . . . . 60 ASP C . 15512 1 738 . 1 1 60 60 ASP CA C 13 52.947 0.1 . 1 . . . . 60 ASP CA . 15512 1 739 . 1 1 60 60 ASP CB C 13 43.590 0.1 . 1 . . . . 60 ASP CB . 15512 1 740 . 1 1 60 60 ASP N N 15 127.083 0.1 . 1 . . . . 60 ASP N . 15512 1 741 . 1 1 61 61 LEU H H 1 8.837 0.01 . 1 . . . . 61 LEU HN . 15512 1 742 . 1 1 61 61 LEU HA H 1 4.093 0.01 . 1 . . . . 61 LEU HA . 15512 1 743 . 1 1 61 61 LEU HB2 H 1 1.625 0.01 . 2 . . . . 61 LEU HB1 . 15512 1 744 . 1 1 61 61 LEU HB3 H 1 1.755 0.01 . 2 . . . . 61 LEU HB2 . 15512 1 745 . 1 1 61 61 LEU HD11 H 1 0.957 0.01 . 2 . . . . 61 LEU HD11 . 15512 1 746 . 1 1 61 61 LEU HD12 H 1 0.957 0.01 . 2 . . . . 61 LEU HD11 . 15512 1 747 . 1 1 61 61 LEU HD13 H 1 0.957 0.01 . 2 . . . . 61 LEU HD11 . 15512 1 748 . 1 1 61 61 LEU HD21 H 1 0.916 0.01 . 2 . . . . 61 LEU HD21 . 15512 1 749 . 1 1 61 61 LEU HD22 H 1 0.916 0.01 . 2 . . . . 61 LEU HD21 . 15512 1 750 . 1 1 61 61 LEU HD23 H 1 0.916 0.01 . 2 . . . . 61 LEU HD21 . 15512 1 751 . 1 1 61 61 LEU HG H 1 1.784 0.01 . 1 . . . . 61 LEU HG . 15512 1 752 . 1 1 61 61 LEU C C 13 177.781 0.1 . 1 . . . . 61 LEU C . 15512 1 753 . 1 1 61 61 LEU CA C 13 57.611 0.1 . 1 . . . . 61 LEU CA . 15512 1 754 . 1 1 61 61 LEU CB C 13 41.833 0.1 . 1 . . . . 61 LEU CB . 15512 1 755 . 1 1 61 61 LEU CD1 C 13 24.865 0.1 . 1 . . . . 61 LEU CD1 . 15512 1 756 . 1 1 61 61 LEU CD2 C 13 23.484 0.1 . 1 . . . . 61 LEU CD2 . 15512 1 757 . 1 1 61 61 LEU CG C 13 27.076 0.1 . 1 . . . . 61 LEU CG . 15512 1 758 . 1 1 61 61 LEU N N 15 122.846 0.1 . 1 . . . . 61 LEU N . 15512 1 759 . 1 1 62 62 ASP H H 1 8.271 0.01 . 1 . . . . 62 ASP HN . 15512 1 760 . 1 1 62 62 ASP HA H 1 4.492 0.01 . 1 . . . . 62 ASP HA . 15512 1 761 . 1 1 62 62 ASP HB2 H 1 3.035 0.01 . 2 . . . . 62 ASP HB1 . 15512 1 762 . 1 1 62 62 ASP HB3 H 1 2.634 0.01 . 2 . . . . 62 ASP HB2 . 15512 1 763 . 1 1 62 62 ASP C C 13 176.337 0.1 . 1 . . . . 62 ASP C . 15512 1 764 . 1 1 62 62 ASP CA C 13 53.815 0.1 . 1 . . . . 62 ASP CA . 15512 1 765 . 1 1 62 62 ASP CB C 13 39.895 0.1 . 1 . . . . 62 ASP CB . 15512 1 766 . 1 1 62 62 ASP N N 15 117.276 0.1 . 1 . . . . 62 ASP N . 15512 1 767 . 1 1 63 63 GLY H H 1 7.840 0.01 . 1 . . . . 63 GLY HN . 15512 1 768 . 1 1 63 63 GLY HA2 H 1 3.717 0.01 . 2 . . . . 63 GLY HA1 . 15512 1 769 . 1 1 63 63 GLY HA3 H 1 4.475 0.01 . 2 . . . . 63 GLY HA2 . 15512 1 770 . 1 1 63 63 GLY C C 13 176.337 0.1 . 1 . . . . 63 GLY C . 15512 1 771 . 1 1 63 63 GLY CA C 13 45.280 0.1 . 1 . . . . 63 GLY CA . 15512 1 772 . 1 1 63 63 GLY N N 15 106.728 0.1 . 1 . . . . 63 GLY N . 15512 1 773 . 1 1 64 64 THR H H 1 8.455 0.01 . 1 . . . . 64 THR HN . 15512 1 774 . 1 1 64 64 THR HA H 1 4.681 0.01 . 1 . . . . 64 THR HA . 15512 1 775 . 1 1 64 64 THR HB H 1 4.322 0.01 . 1 . . . . 64 THR HB . 15512 1 776 . 1 1 64 64 THR HG21 H 1 1.211 0.01 . 1 . . . . 64 THR HG21 . 15512 1 777 . 1 1 64 64 THR HG22 H 1 1.211 0.01 . 1 . . . . 64 THR HG21 . 15512 1 778 . 1 1 64 64 THR HG23 H 1 1.211 0.01 . 1 . . . . 64 THR HG21 . 15512 1 779 . 1 1 64 64 THR C C 13 174.622 0.1 . 1 . . . . 64 THR C . 15512 1 780 . 1 1 64 64 THR CA C 13 64.936 0.1 . 1 . . . . 64 THR CA . 15512 1 781 . 1 1 64 64 THR CB C 13 67.654 0.1 . 1 . . . . 64 THR CB . 15512 1 782 . 1 1 64 64 THR CG2 C 13 21.555 0.1 . 1 . . . . 64 THR CG2 . 15512 1 783 . 1 1 64 64 THR N N 15 121.060 0.1 . 1 . . . . 64 THR N . 15512 1 784 . 1 1 65 65 CYS H H 1 9.084 0.01 . 1 . . . . 65 CYS HN . 15512 1 785 . 1 1 65 65 CYS HA H 1 5.353 0.01 . 1 . . . . 65 CYS HA . 15512 1 786 . 1 1 65 65 CYS HB2 H 1 3.240 0.01 . 2 . . . . 65 CYS HB1 . 15512 1 787 . 1 1 65 65 CYS HB3 H 1 3.017 0.01 . 2 . . . . 65 CYS HB2 . 15512 1 788 . 1 1 65 65 CYS C C 13 173.534 0.1 . 1 . . . . 65 CYS C . 15512 1 789 . 1 1 65 65 CYS CA C 13 58.665 0.1 . 1 . . . . 65 CYS CA . 15512 1 790 . 1 1 65 65 CYS CB C 13 30.461 0.1 . 1 . . . . 65 CYS CB . 15512 1 791 . 1 1 65 65 CYS N N 15 129.804 0.1 . 1 . . . . 65 CYS N . 15512 1 792 . 1 1 66 66 SER H H 1 9.180 0.01 . 1 . . . . 66 SER HN . 15512 1 793 . 1 1 66 66 SER HA H 1 5.957 0.01 . 1 . . . . 66 SER HA . 15512 1 794 . 1 1 66 66 SER HB2 H 1 3.632 0.01 . 2 . . . . 66 SER HB1 . 15512 1 795 . 1 1 66 66 SER HB3 H 1 3.691 0.01 . 2 . . . . 66 SER HB2 . 15512 1 796 . 1 1 66 66 SER C C 13 171.281 0.1 . 1 . . . . 66 SER C . 15512 1 797 . 1 1 66 66 SER CA C 13 56.432 0.1 . 1 . . . . 66 SER CA . 15512 1 798 . 1 1 66 66 SER CB C 13 67.559 0.1 . 1 . . . . 66 SER CB . 15512 1 799 . 1 1 66 66 SER N N 15 116.548 0.1 . 1 . . . . 66 SER N . 15512 1 800 . 1 1 67 67 LEU H H 1 8.348 0.01 . 1 . . . . 67 LEU HN . 15512 1 801 . 1 1 67 67 LEU HA H 1 4.534 0.01 . 1 . . . . 67 LEU HA . 15512 1 802 . 1 1 67 67 LEU HB2 H 1 0.595 0.01 . 2 . . . . 67 LEU HB1 . 15512 1 803 . 1 1 67 67 LEU HB3 H 1 -0.719 0.01 . 2 . . . . 67 LEU HB2 . 15512 1 804 . 1 1 67 67 LEU HD11 H 1 0.325 0.01 . 2 . . . . 67 LEU HD11 . 15512 1 805 . 1 1 67 67 LEU HD12 H 1 0.325 0.01 . 2 . . . . 67 LEU HD11 . 15512 1 806 . 1 1 67 67 LEU HD13 H 1 0.325 0.01 . 2 . . . . 67 LEU HD11 . 15512 1 807 . 1 1 67 67 LEU HD21 H 1 0.063 0.01 . 2 . . . . 67 LEU HD21 . 15512 1 808 . 1 1 67 67 LEU HD22 H 1 0.063 0.01 . 2 . . . . 67 LEU HD21 . 15512 1 809 . 1 1 67 67 LEU HD23 H 1 0.063 0.01 . 2 . . . . 67 LEU HD21 . 15512 1 810 . 1 1 67 67 LEU HG H 1 0.794 0.01 . 1 . . . . 67 LEU HG . 15512 1 811 . 1 1 67 67 LEU C C 13 174.870 0.1 . 1 . . . . 67 LEU C . 15512 1 812 . 1 1 67 67 LEU CA C 13 53.911 0.1 . 1 . . . . 67 LEU CA . 15512 1 813 . 1 1 67 67 LEU CB C 13 43.710 0.1 . 1 . . . . 67 LEU CB . 15512 1 814 . 1 1 67 67 LEU CD1 C 13 25.755 0.1 . 1 . . . . 67 LEU CD1 . 15512 1 815 . 1 1 67 67 LEU CD2 C 13 25.981 0.1 . 1 . . . . 67 LEU CD2 . 15512 1 816 . 1 1 67 67 LEU CG C 13 27.196 0.1 . 1 . . . . 67 LEU CG . 15512 1 817 . 1 1 67 67 LEU N N 15 123.405 0.1 . 1 . . . . 67 LEU N . 15512 1 818 . 1 1 68 68 HIS H H 1 8.867 0.01 . 1 . . . . 68 HIS HN . 15512 1 819 . 1 1 68 68 HIS HA H 1 5.844 0.01 . 1 . . . . 68 HIS HA . 15512 1 820 . 1 1 68 68 HIS HB2 H 1 3.034 0.01 . 2 . . . . 68 HIS HB1 . 15512 1 821 . 1 1 68 68 HIS HB3 H 1 2.932 0.01 . 2 . . . . 68 HIS HB2 . 15512 1 822 . 1 1 68 68 HIS HD2 H 1 6.966 0.01 . 1 . . . . 68 HIS HD2 . 15512 1 823 . 1 1 68 68 HIS C C 13 174.300 0.1 . 1 . . . . 68 HIS C . 15512 1 824 . 1 1 68 68 HIS CA C 13 53.654 0.1 . 1 . . . . 68 HIS CA . 15512 1 825 . 1 1 68 68 HIS CB C 13 33.398 0.1 . 1 . . . . 68 HIS CB . 15512 1 826 . 1 1 68 68 HIS CD2 C 13 120.217 0.1 . 1 . . . . 68 HIS CD2 . 15512 1 827 . 1 1 68 68 HIS N N 15 124.664 0.1 . 1 . . . . 68 HIS N . 15512 1 828 . 1 1 69 69 THR H H 1 8.068 0.01 . 1 . . . . 69 THR HN . 15512 1 829 . 1 1 69 69 THR HA H 1 4.460 0.01 . 1 . . . . 69 THR HA . 15512 1 830 . 1 1 69 69 THR HB H 1 3.466 0.01 . 1 . . . . 69 THR HB . 15512 1 831 . 1 1 69 69 THR HG21 H 1 0.665 0.01 . 1 . . . . 69 THR HG21 . 15512 1 832 . 1 1 69 69 THR HG22 H 1 0.665 0.01 . 1 . . . . 69 THR HG21 . 15512 1 833 . 1 1 69 69 THR HG23 H 1 0.665 0.01 . 1 . . . . 69 THR HG21 . 15512 1 834 . 1 1 69 69 THR C C 13 172.530 0.1 . 1 . . . . 69 THR C . 15512 1 835 . 1 1 69 69 THR CA C 13 60.167 0.1 . 1 . . . . 69 THR CA . 15512 1 836 . 1 1 69 69 THR CB C 13 70.153 0.1 . 1 . . . . 69 THR CB . 15512 1 837 . 1 1 69 69 THR CG2 C 13 19.977 0.1 . 1 . . . . 69 THR CG2 . 15512 1 838 . 1 1 69 69 THR N N 15 117.670 0.1 . 1 . . . . 69 THR N . 15512 1 839 . 1 1 70 70 THR H H 1 8.216 0.01 . 1 . . . . 70 THR HN . 15512 1 840 . 1 1 70 70 THR HA H 1 3.856 0.01 . 1 . . . . 70 THR HA . 15512 1 841 . 1 1 70 70 THR HB H 1 4.058 0.01 . 1 . . . . 70 THR HB . 15512 1 842 . 1 1 70 70 THR HG21 H 1 1.213 0.01 . 1 . . . . 70 THR HG21 . 15512 1 843 . 1 1 70 70 THR HG22 H 1 1.213 0.01 . 1 . . . . 70 THR HG21 . 15512 1 844 . 1 1 70 70 THR HG23 H 1 1.213 0.01 . 1 . . . . 70 THR HG21 . 15512 1 845 . 1 1 70 70 THR C C 13 176.653 0.1 . 1 . . . . 70 THR C . 15512 1 846 . 1 1 70 70 THR CA C 13 64.044 0.1 . 1 . . . . 70 THR CA . 15512 1 847 . 1 1 70 70 THR CB C 13 68.977 0.1 . 1 . . . . 70 THR CB . 15512 1 848 . 1 1 70 70 THR CG2 C 13 22.148 0.1 . 1 . . . . 70 THR CG2 . 15512 1 849 . 1 1 70 70 THR N N 15 118.475 0.1 . 1 . . . . 70 THR N . 15512 1 850 . 1 1 71 71 ALA H H 1 7.253 0.01 . 1 . . . . 71 ALA HN . 15512 1 851 . 1 1 71 71 ALA HA H 1 3.977 0.01 . 1 . . . . 71 ALA HA . 15512 1 852 . 1 1 71 71 ALA HB1 H 1 1.174 0.01 . 1 . . . . 71 ALA HB1 . 15512 1 853 . 1 1 71 71 ALA HB2 H 1 1.174 0.01 . 1 . . . . 71 ALA HB1 . 15512 1 854 . 1 1 71 71 ALA HB3 H 1 1.174 0.01 . 1 . . . . 71 ALA HB1 . 15512 1 855 . 1 1 71 71 ALA C C 13 176.653 0.1 . 1 . . . . 71 ALA C . 15512 1 856 . 1 1 71 71 ALA CA C 13 51.896 0.1 . 1 . . . . 71 ALA CA . 15512 1 857 . 1 1 71 71 ALA CB C 13 19.723 0.1 . 1 . . . . 71 ALA CB . 15512 1 858 . 1 1 71 71 ALA N N 15 122.390 0.1 . 1 . . . . 71 ALA N . 15512 1 859 . 1 1 72 72 SER H H 1 7.800 0.01 . 1 . . . . 72 SER HN . 15512 1 860 . 1 1 72 72 SER HA H 1 4.690 0.01 . 1 . . . . 72 SER HA . 15512 1 861 . 1 1 72 72 SER HB2 H 1 3.802 0.01 . 2 . . . . 72 SER HB1 . 15512 1 862 . 1 1 72 72 SER HB3 H 1 3.802 0.01 . 2 . . . . 72 SER HB2 . 15512 1 863 . 1 1 72 72 SER C C 13 175.031 0.1 . 1 . . . . 72 SER C . 15512 1 864 . 1 1 72 72 SER CA C 13 58.950 0.1 . 1 . . . . 72 SER CA . 15512 1 865 . 1 1 72 72 SER CB C 13 64.784 0.1 . 1 . . . . 72 SER CB . 15512 1 866 . 1 1 72 72 SER N N 15 119.045 0.1 . 1 . . . . 72 SER N . 15512 1 867 . 1 1 73 73 THR H H 1 9.398 0.01 . 1 . . . . 73 THR HN . 15512 1 868 . 1 1 73 73 THR HA H 1 4.897 0.01 . 1 . . . . 73 THR HA . 15512 1 869 . 1 1 73 73 THR HB H 1 4.559 0.01 . 1 . . . . 73 THR HB . 15512 1 870 . 1 1 73 73 THR HG21 H 1 1.144 0.01 . 1 . . . . 73 THR HG21 . 15512 1 871 . 1 1 73 73 THR HG22 H 1 1.144 0.01 . 1 . . . . 73 THR HG21 . 15512 1 872 . 1 1 73 73 THR HG23 H 1 1.144 0.01 . 1 . . . . 73 THR HG21 . 15512 1 873 . 1 1 73 73 THR C C 13 176.347 0.1 . 1 . . . . 73 THR C . 15512 1 874 . 1 1 73 73 THR CA C 13 59.257 0.1 . 1 . . . . 73 THR CA . 15512 1 875 . 1 1 73 73 THR CB C 13 71.832 0.1 . 1 . . . . 73 THR CB . 15512 1 876 . 1 1 73 73 THR CG2 C 13 21.622 0.1 . 1 . . . . 73 THR CG2 . 15512 1 877 . 1 1 73 73 THR N N 15 114.899 0.1 . 1 . . . . 73 THR N . 15512 1 878 . 1 1 74 74 LEU H H 1 9.006 0.01 . 1 . . . . 74 LEU HN . 15512 1 879 . 1 1 74 74 LEU HA H 1 3.924 0.01 . 1 . . . . 74 LEU HA . 15512 1 880 . 1 1 74 74 LEU HB2 H 1 1.565 0.01 . 2 . . . . 74 LEU HB1 . 15512 1 881 . 1 1 74 74 LEU HB3 H 1 1.747 0.01 . 2 . . . . 74 LEU HB2 . 15512 1 882 . 1 1 74 74 LEU HD11 H 1 0.940 0.01 . 2 . . . . 74 LEU HD11 . 15512 1 883 . 1 1 74 74 LEU HD12 H 1 0.940 0.01 . 2 . . . . 74 LEU HD11 . 15512 1 884 . 1 1 74 74 LEU HD13 H 1 0.940 0.01 . 2 . . . . 74 LEU HD11 . 15512 1 885 . 1 1 74 74 LEU HD21 H 1 0.770 0.01 . 2 . . . . 74 LEU HD21 . 15512 1 886 . 1 1 74 74 LEU HD22 H 1 0.770 0.01 . 2 . . . . 74 LEU HD21 . 15512 1 887 . 1 1 74 74 LEU HD23 H 1 0.770 0.01 . 2 . . . . 74 LEU HD21 . 15512 1 888 . 1 1 74 74 LEU HG H 1 1.682 0.01 . 1 . . . . 74 LEU HG . 15512 1 889 . 1 1 74 74 LEU C C 13 179.806 0.1 . 1 . . . . 74 LEU C . 15512 1 890 . 1 1 74 74 LEU CA C 13 58.537 0.1 . 1 . . . . 74 LEU CA . 15512 1 891 . 1 1 74 74 LEU CB C 13 40.854 0.1 . 1 . . . . 74 LEU CB . 15512 1 892 . 1 1 74 74 LEU CD1 C 13 25.368 0.1 . 1 . . . . 74 LEU CD1 . 15512 1 893 . 1 1 74 74 LEU CD2 C 13 22.745 0.1 . 1 . . . . 74 LEU CD2 . 15512 1 894 . 1 1 74 74 LEU CG C 13 27.456 0.1 . 1 . . . . 74 LEU CG . 15512 1 895 . 1 1 74 74 LEU N N 15 120.466 0.1 . 1 . . . . 74 LEU N . 15512 1 896 . 1 1 75 75 ASP H H 1 7.856 0.01 . 1 . . . . 75 ASP HN . 15512 1 897 . 1 1 75 75 ASP HA H 1 4.492 0.01 . 1 . . . . 75 ASP HA . 15512 1 898 . 1 1 75 75 ASP HB2 H 1 2.583 0.01 . 2 . . . . 75 ASP HB1 . 15512 1 899 . 1 1 75 75 ASP HB3 H 1 2.466 0.01 . 2 . . . . 75 ASP HB2 . 15512 1 900 . 1 1 75 75 ASP C C 13 175.993 0.1 . 1 . . . . 75 ASP C . 15512 1 901 . 1 1 75 75 ASP CA C 13 55.901 0.1 . 1 . . . . 75 ASP CA . 15512 1 902 . 1 1 75 75 ASP CB C 13 40.922 0.1 . 1 . . . . 75 ASP CB . 15512 1 903 . 1 1 75 75 ASP N N 15 116.830 0.1 . 1 . . . . 75 ASP N . 15512 1 904 . 1 1 76 76 ASP H H 1 7.789 0.01 . 1 . . . . 76 ASP HN . 15512 1 905 . 1 1 76 76 ASP HA H 1 4.665 0.01 . 1 . . . . 76 ASP HA . 15512 1 906 . 1 1 76 76 ASP HB2 H 1 3.137 0.01 . 2 . . . . 76 ASP HB1 . 15512 1 907 . 1 1 76 76 ASP HB3 H 1 2.833 0.01 . 2 . . . . 76 ASP HB2 . 15512 1 908 . 1 1 76 76 ASP C C 13 174.005 0.1 . 1 . . . . 76 ASP C . 15512 1 909 . 1 1 76 76 ASP CA C 13 55.767 0.1 . 1 . . . . 76 ASP CA . 15512 1 910 . 1 1 76 76 ASP CB C 13 40.256 0.1 . 1 . . . . 76 ASP CB . 15512 1 911 . 1 1 76 76 ASP N N 15 116.116 0.1 . 1 . . . . 76 ASP N . 15512 1 912 . 1 1 77 77 ASP H H 1 7.289 0.01 . 1 . . . . 77 ASP HN . 15512 1 913 . 1 1 77 77 ASP HA H 1 4.416 0.01 . 1 . . . . 77 ASP HA . 15512 1 914 . 1 1 77 77 ASP HB2 H 1 2.567 0.01 . 2 . . . . 77 ASP HB1 . 15512 1 915 . 1 1 77 77 ASP HB3 H 1 2.964 0.01 . 2 . . . . 77 ASP HB2 . 15512 1 916 . 1 1 77 77 ASP C C 13 175.906 0.1 . 1 . . . . 77 ASP C . 15512 1 917 . 1 1 77 77 ASP CA C 13 55.708 0.1 . 1 . . . . 77 ASP CA . 15512 1 918 . 1 1 77 77 ASP CB C 13 44.281 0.1 . 1 . . . . 77 ASP CB . 15512 1 919 . 1 1 77 77 ASP N N 15 122.481 0.1 . 1 . . . . 77 ASP N . 15512 1 920 . 1 1 78 78 GLY H H 1 9.153 0.01 . 1 . . . . 78 GLY HN . 15512 1 921 . 1 1 78 78 GLY HA2 H 1 3.986 0.01 . 2 . . . . 78 GLY HA1 . 15512 1 922 . 1 1 78 78 GLY HA3 H 1 4.874 0.01 . 2 . . . . 78 GLY HA2 . 15512 1 923 . 1 1 78 78 GLY C C 13 171.542 0.1 . 1 . . . . 78 GLY C . 15512 1 924 . 1 1 78 78 GLY CA C 13 45.489 0.1 . 1 . . . . 78 GLY CA . 15512 1 925 . 1 1 78 78 GLY N N 15 114.789 0.1 . 1 . . . . 78 GLY N . 15512 1 926 . 1 1 79 79 ASN H H 1 9.109 0.01 . 1 . . . . 79 ASN HN . 15512 1 927 . 1 1 79 79 ASN HA H 1 5.348 0.01 . 1 . . . . 79 ASN HA . 15512 1 928 . 1 1 79 79 ASN HB2 H 1 2.217 0.01 . 2 . . . . 79 ASN HB1 . 15512 1 929 . 1 1 79 79 ASN HB3 H 1 2.782 0.01 . 2 . . . . 79 ASN HB2 . 15512 1 930 . 1 1 79 79 ASN HD21 H 1 7.521 0.01 . 2 . . . . 79 ASN HD21 . 15512 1 931 . 1 1 79 79 ASN HD22 H 1 6.688 0.01 . 2 . . . . 79 ASN HD22 . 15512 1 932 . 1 1 79 79 ASN C C 13 171.542 0.1 . 1 . . . . 79 ASN C . 15512 1 933 . 1 1 79 79 ASN CA C 13 52.721 0.1 . 1 . . . . 79 ASN CA . 15512 1 934 . 1 1 79 79 ASN CB C 13 40.677 0.1 . 1 . . . . 79 ASN CB . 15512 1 935 . 1 1 79 79 ASN N N 15 119.922 0.1 . 1 . . . . 79 ASN N . 15512 1 936 . 1 1 79 79 ASN ND2 N 15 112.808 0.1 . 1 . . . . 79 ASN ND2 . 15512 1 937 . 1 1 80 80 TYR H H 1 9.638 0.01 . 1 . . . . 80 TYR HN . 15512 1 938 . 1 1 80 80 TYR HA H 1 5.195 0.01 . 1 . . . . 80 TYR HA . 15512 1 939 . 1 1 80 80 TYR HB2 H 1 2.261 0.01 . 2 . . . . 80 TYR HB1 . 15512 1 940 . 1 1 80 80 TYR HB3 H 1 2.128 0.01 . 2 . . . . 80 TYR HB2 . 15512 1 941 . 1 1 80 80 TYR HD1 H 1 6.934 0.01 . 3 . . . . 80 TYR HD1 . 15512 1 942 . 1 1 80 80 TYR HD2 H 1 6.934 0.01 . 3 . . . . 80 TYR HD2 . 15512 1 943 . 1 1 80 80 TYR HE1 H 1 6.819 0.01 . 3 . . . . 80 TYR HE1 . 15512 1 944 . 1 1 80 80 TYR HE2 H 1 6.819 0.01 . 3 . . . . 80 TYR HE2 . 15512 1 945 . 1 1 80 80 TYR C C 13 174.093 0.1 . 1 . . . . 80 TYR C . 15512 1 946 . 1 1 80 80 TYR CA C 13 57.320 0.1 . 1 . . . . 80 TYR CA . 15512 1 947 . 1 1 80 80 TYR CB C 13 38.986 0.1 . 1 . . . . 80 TYR CB . 15512 1 948 . 1 1 80 80 TYR CD1 C 13 133.158 0.1 . 3 . . . . 80 TYR CD1 . 15512 1 949 . 1 1 80 80 TYR CD2 C 13 133.158 0.1 . 3 . . . . 80 TYR CD2 . 15512 1 950 . 1 1 80 80 TYR CE1 C 13 118.074 0.1 . 3 . . . . 80 TYR CE1 . 15512 1 951 . 1 1 80 80 TYR CE2 C 13 118.074 0.1 . 3 . . . . 80 TYR CE2 . 15512 1 952 . 1 1 80 80 TYR N N 15 127.484 0.1 . 1 . . . . 80 TYR N . 15512 1 953 . 1 1 81 81 THR H H 1 9.235 0.01 . 1 . . . . 81 THR HN . 15512 1 954 . 1 1 81 81 THR HA H 1 5.312 0.01 . 1 . . . . 81 THR HA . 15512 1 955 . 1 1 81 81 THR HB H 1 3.679 0.01 . 1 . . . . 81 THR HB . 15512 1 956 . 1 1 81 81 THR HG21 H 1 0.978 0.01 . 1 . . . . 81 THR HG21 . 15512 1 957 . 1 1 81 81 THR HG22 H 1 0.978 0.01 . 1 . . . . 81 THR HG21 . 15512 1 958 . 1 1 81 81 THR HG23 H 1 0.978 0.01 . 1 . . . . 81 THR HG21 . 15512 1 959 . 1 1 81 81 THR C C 13 172.225 0.1 . 1 . . . . 81 THR C . 15512 1 960 . 1 1 81 81 THR CA C 13 60.806 0.1 . 1 . . . . 81 THR CA . 15512 1 961 . 1 1 81 81 THR CB C 13 72.292 0.1 . 1 . . . . 81 THR CB . 15512 1 962 . 1 1 81 81 THR CG2 C 13 21.519 0.1 . 1 . . . . 81 THR CG2 . 15512 1 963 . 1 1 81 81 THR N N 15 120.141 0.1 . 1 . . . . 81 THR N . 15512 1 964 . 1 1 82 82 ILE H H 1 8.639 0.01 . 1 . . . . 82 ILE HN . 15512 1 965 . 1 1 82 82 ILE HA H 1 4.939 0.01 . 1 . . . . 82 ILE HA . 15512 1 966 . 1 1 82 82 ILE HB H 1 0.044 0.01 . 1 . . . . 82 ILE HB . 15512 1 967 . 1 1 82 82 ILE HD11 H 1 0.254 0.01 . 1 . . . . 82 ILE HD11 . 15512 1 968 . 1 1 82 82 ILE HD12 H 1 0.254 0.01 . 1 . . . . 82 ILE HD11 . 15512 1 969 . 1 1 82 82 ILE HD13 H 1 0.254 0.01 . 1 . . . . 82 ILE HD11 . 15512 1 970 . 1 1 82 82 ILE HG12 H 1 0.265 0.01 . 1 . . . . 82 ILE HG11 . 15512 1 971 . 1 1 82 82 ILE HG13 H 1 0.388 0.01 . 1 . . . . 82 ILE HG12 . 15512 1 972 . 1 1 82 82 ILE HG21 H 1 0.714 0.01 . 1 . . . . 82 ILE HG21 . 15512 1 973 . 1 1 82 82 ILE HG22 H 1 0.714 0.01 . 1 . . . . 82 ILE HG21 . 15512 1 974 . 1 1 82 82 ILE HG23 H 1 0.714 0.01 . 1 . . . . 82 ILE HG21 . 15512 1 975 . 1 1 82 82 ILE C C 13 172.621 0.1 . 1 . . . . 82 ILE C . 15512 1 976 . 1 1 82 82 ILE CA C 13 57.293 0.1 . 1 . . . . 82 ILE CA . 15512 1 977 . 1 1 82 82 ILE CB C 13 39.255 0.1 . 1 . . . . 82 ILE CB . 15512 1 978 . 1 1 82 82 ILE CD1 C 13 13.476 0.1 . 1 . . . . 82 ILE CD1 . 15512 1 979 . 1 1 82 82 ILE CG1 C 13 27.542 0.1 . 1 . . . . 82 ILE CG1 . 15512 1 980 . 1 1 82 82 ILE CG2 C 13 16.346 0.1 . 1 . . . . 82 ILE CG2 . 15512 1 981 . 1 1 82 82 ILE N N 15 125.710 0.1 . 1 . . . . 82 ILE N . 15512 1 982 . 1 1 83 83 MET H H 1 9.275 0.01 . 1 . . . . 83 MET HN . 15512 1 983 . 1 1 83 83 MET HA H 1 5.285 0.01 . 1 . . . . 83 MET HA . 15512 1 984 . 1 1 83 83 MET HB2 H 1 1.873 0.01 . 2 . . . . 83 MET HB1 . 15512 1 985 . 1 1 83 83 MET HB3 H 1 2.140 0.01 . 2 . . . . 83 MET HB2 . 15512 1 986 . 1 1 83 83 MET HG2 H 1 2.440 0.01 . 2 . . . . 83 MET HG1 . 15512 1 987 . 1 1 83 83 MET HG3 H 1 2.256 0.01 . 2 . . . . 83 MET HG2 . 15512 1 988 . 1 1 83 83 MET C C 13 172.951 0.1 . 1 . . . . 83 MET C . 15512 1 989 . 1 1 83 83 MET CA C 13 53.434 0.1 . 1 . . . . 83 MET CA . 15512 1 990 . 1 1 83 83 MET CB C 13 37.806 0.1 . 1 . . . . 83 MET CB . 15512 1 991 . 1 1 83 83 MET CG C 13 31.613 0.1 . 1 . . . . 83 MET CG . 15512 1 992 . 1 1 83 83 MET N N 15 127.983 0.1 . 1 . . . . 83 MET N . 15512 1 993 . 1 1 84 84 ALA H H 1 9.106 0.01 . 1 . . . . 84 ALA HN . 15512 1 994 . 1 1 84 84 ALA HA H 1 5.671 0.01 . 1 . . . . 84 ALA HA . 15512 1 995 . 1 1 84 84 ALA HB1 H 1 0.847 0.01 . 1 . . . . 84 ALA HB1 . 15512 1 996 . 1 1 84 84 ALA HB2 H 1 0.847 0.01 . 1 . . . . 84 ALA HB1 . 15512 1 997 . 1 1 84 84 ALA HB3 H 1 0.847 0.01 . 1 . . . . 84 ALA HB1 . 15512 1 998 . 1 1 84 84 ALA C C 13 175.744 0.1 . 1 . . . . 84 ALA C . 15512 1 999 . 1 1 84 84 ALA CA C 13 49.157 0.1 . 1 . . . . 84 ALA CA . 15512 1 1000 . 1 1 84 84 ALA CB C 13 23.278 0.1 . 1 . . . . 84 ALA CB . 15512 1 1001 . 1 1 84 84 ALA N N 15 128.065 0.1 . 1 . . . . 84 ALA N . 15512 1 1002 . 1 1 85 85 ALA H H 1 9.011 0.01 . 1 . . . . 85 ALA HN . 15512 1 1003 . 1 1 85 85 ALA HA H 1 5.447 0.01 . 1 . . . . 85 ALA HA . 15512 1 1004 . 1 1 85 85 ALA HB1 H 1 1.442 0.01 . 1 . . . . 85 ALA HB1 . 15512 1 1005 . 1 1 85 85 ALA HB2 H 1 1.442 0.01 . 1 . . . . 85 ALA HB1 . 15512 1 1006 . 1 1 85 85 ALA HB3 H 1 1.442 0.01 . 1 . . . . 85 ALA HB1 . 15512 1 1007 . 1 1 85 85 ALA C C 13 175.596 0.1 . 1 . . . . 85 ALA C . 15512 1 1008 . 1 1 85 85 ALA CA C 13 51.036 0.1 . 1 . . . . 85 ALA CA . 15512 1 1009 . 1 1 85 85 ALA CB C 13 24.158 0.1 . 1 . . . . 85 ALA CB . 15512 1 1010 . 1 1 85 85 ALA N N 15 123.301 0.1 . 1 . . . . 85 ALA N . 15512 1 1011 . 1 1 86 86 ASN H H 1 9.358 0.01 . 1 . . . . 86 ASN HN . 15512 1 1012 . 1 1 86 86 ASN HA H 1 4.961 0.01 . 1 . . . . 86 ASN HA . 15512 1 1013 . 1 1 86 86 ASN HB2 H 1 3.332 0.01 . 2 . . . . 86 ASN HB1 . 15512 1 1014 . 1 1 86 86 ASN HB3 H 1 2.519 0.01 . 2 . . . . 86 ASN HB2 . 15512 1 1015 . 1 1 86 86 ASN C C 13 175.596 0.1 . 1 . . . . 86 ASN C . 15512 1 1016 . 1 1 86 86 ASN CA C 13 51.834 0.1 . 1 . . . . 86 ASN CA . 15512 1 1017 . 1 1 86 86 ASN CB C 13 40.022 0.1 . 1 . . . . 86 ASN CB . 15512 1 1018 . 1 1 86 86 ASN N N 15 124.198 0.1 . 1 . . . . 86 ASN N . 15512 1 1019 . 1 1 87 87 PRO HA H 1 4.326 0.01 . 1 . . . . 87 PRO HA . 15512 1 1020 . 1 1 87 87 PRO HB2 H 1 1.772 0.01 . 2 . . . . 87 PRO HB1 . 15512 1 1021 . 1 1 87 87 PRO HB3 H 1 2.429 0.01 . 2 . . . . 87 PRO HB2 . 15512 1 1022 . 1 1 87 87 PRO HD2 H 1 3.973 0.01 . 2 . . . . 87 PRO HD1 . 15512 1 1023 . 1 1 87 87 PRO HG2 H 1 2.092 0.01 . 2 . . . . 87 PRO HG1 . 15512 1 1024 . 1 1 87 87 PRO C C 13 176.830 0.1 . 1 . . . . 87 PRO C . 15512 1 1025 . 1 1 87 87 PRO CA C 13 66.034 0.1 . 1 . . . . 87 PRO CA . 15512 1 1026 . 1 1 87 87 PRO CB C 13 31.540 0.1 . 1 . . . . 87 PRO CB . 15512 1 1027 . 1 1 87 87 PRO CD C 13 51.205 0.1 . 1 . . . . 87 PRO CD . 15512 1 1028 . 1 1 87 87 PRO CG C 13 28.223 0.1 . 1 . . . . 87 PRO CG . 15512 1 1029 . 1 1 88 88 GLN H H 1 7.861 0.01 . 1 . . . . 88 GLN HN . 15512 1 1030 . 1 1 88 88 GLN HA H 1 4.324 0.01 . 1 . . . . 88 GLN HA . 15512 1 1031 . 1 1 88 88 GLN HB2 H 1 1.972 0.01 . 2 . . . . 88 GLN HB1 . 15512 1 1032 . 1 1 88 88 GLN HB3 H 1 2.155 0.01 . 2 . . . . 88 GLN HB2 . 15512 1 1033 . 1 1 88 88 GLN HE21 H 1 7.379 0.01 . 2 . . . . 88 GLN HE21 . 15512 1 1034 . 1 1 88 88 GLN HE22 H 1 6.708 0.01 . 2 . . . . 88 GLN HE22 . 15512 1 1035 . 1 1 88 88 GLN HG2 H 1 2.116 0.01 . 2 . . . . 88 GLN HG1 . 15512 1 1036 . 1 1 88 88 GLN HG3 H 1 2.156 0.01 . 2 . . . . 88 GLN HG2 . 15512 1 1037 . 1 1 88 88 GLN C C 13 176.244 0.1 . 1 . . . . 88 GLN C . 15512 1 1038 . 1 1 88 88 GLN CA C 13 55.436 0.1 . 1 . . . . 88 GLN CA . 15512 1 1039 . 1 1 88 88 GLN CB C 13 29.424 0.1 . 1 . . . . 88 GLN CB . 15512 1 1040 . 1 1 88 88 GLN CG C 13 35.141 0.1 . 1 . . . . 88 GLN CG . 15512 1 1041 . 1 1 88 88 GLN N N 15 112.550 0.1 . 1 . . . . 88 GLN N . 15512 1 1042 . 1 1 88 88 GLN NE2 N 15 111.490 0.1 . 1 . . . . 88 GLN NE2 . 15512 1 1043 . 1 1 89 89 GLY H H 1 7.944 0.01 . 1 . . . . 89 GLY HN . 15512 1 1044 . 1 1 89 89 GLY HA2 H 1 4.027 0.01 . 2 . . . . 89 GLY HA1 . 15512 1 1045 . 1 1 89 89 GLY HA3 H 1 4.405 0.01 . 2 . . . . 89 GLY HA2 . 15512 1 1046 . 1 1 89 89 GLY C C 13 169.679 0.1 . 1 . . . . 89 GLY C . 15512 1 1047 . 1 1 89 89 GLY CA C 13 45.963 0.1 . 1 . . . . 89 GLY CA . 15512 1 1048 . 1 1 89 89 GLY N N 15 107.020 0.1 . 1 . . . . 89 GLY N . 15512 1 1049 . 1 1 90 90 ARG H H 1 8.236 0.01 . 1 . . . . 90 ARG HN . 15512 1 1050 . 1 1 90 90 ARG HA H 1 5.571 0.01 . 1 . . . . 90 ARG HA . 15512 1 1051 . 1 1 90 90 ARG HB2 H 1 1.740 0.01 . 2 . . . . 90 ARG HB1 . 15512 1 1052 . 1 1 90 90 ARG HB3 H 1 1.818 0.01 . 2 . . . . 90 ARG HB2 . 15512 1 1053 . 1 1 90 90 ARG HD2 H 1 3.146 0.01 . 2 . . . . 90 ARG HD1 . 15512 1 1054 . 1 1 90 90 ARG HD3 H 1 3.146 0.01 . 2 . . . . 90 ARG HD2 . 15512 1 1055 . 1 1 90 90 ARG HG2 H 1 1.585 0.01 . 2 . . . . 90 ARG HG1 . 15512 1 1056 . 1 1 90 90 ARG HG3 H 1 1.585 0.01 . 2 . . . . 90 ARG HG2 . 15512 1 1057 . 1 1 90 90 ARG C C 13 175.104 0.1 . 1 . . . . 90 ARG C . 15512 1 1058 . 1 1 90 90 ARG CA C 13 54.536 0.1 . 1 . . . . 90 ARG CA . 15512 1 1059 . 1 1 90 90 ARG CB C 13 33.846 0.1 . 1 . . . . 90 ARG CB . 15512 1 1060 . 1 1 90 90 ARG CD C 13 43.911 0.1 . 1 . . . . 90 ARG CD . 15512 1 1061 . 1 1 90 90 ARG CG C 13 26.346 0.1 . 1 . . . . 90 ARG CG . 15512 1 1062 . 1 1 90 90 ARG N N 15 116.204 0.1 . 1 . . . . 90 ARG N . 15512 1 1063 . 1 1 91 91 VAL H H 1 8.812 0.01 . 1 . . . . 91 VAL HN . 15512 1 1064 . 1 1 91 91 VAL HA H 1 4.763 0.01 . 1 . . . . 91 VAL HA . 15512 1 1065 . 1 1 91 91 VAL HB H 1 2.184 0.01 . 1 . . . . 91 VAL HB . 15512 1 1066 . 1 1 91 91 VAL HG11 H 1 0.677 0.01 . 2 . . . . 91 VAL HG11 . 15512 1 1067 . 1 1 91 91 VAL HG12 H 1 0.677 0.01 . 2 . . . . 91 VAL HG11 . 15512 1 1068 . 1 1 91 91 VAL HG13 H 1 0.677 0.01 . 2 . . . . 91 VAL HG11 . 15512 1 1069 . 1 1 91 91 VAL HG21 H 1 0.778 0.01 . 2 . . . . 91 VAL HG21 . 15512 1 1070 . 1 1 91 91 VAL HG22 H 1 0.778 0.01 . 2 . . . . 91 VAL HG21 . 15512 1 1071 . 1 1 91 91 VAL HG23 H 1 0.778 0.01 . 2 . . . . 91 VAL HG21 . 15512 1 1072 . 1 1 91 91 VAL C C 13 173.351 0.1 . 1 . . . . 91 VAL C . 15512 1 1073 . 1 1 91 91 VAL CA C 13 60.163 0.1 . 1 . . . . 91 VAL CA . 15512 1 1074 . 1 1 91 91 VAL CB C 13 36.096 0.1 . 1 . . . . 91 VAL CB . 15512 1 1075 . 1 1 91 91 VAL CG1 C 13 19.957 0.1 . 1 . . . . 91 VAL CG1 . 15512 1 1076 . 1 1 91 91 VAL CG2 C 13 21.666 0.1 . 1 . . . . 91 VAL CG2 . 15512 1 1077 . 1 1 91 91 VAL N N 15 118.314 0.1 . 1 . . . . 91 VAL N . 15512 1 1078 . 1 1 92 92 SER H H 1 8.583 0.01 . 1 . . . . 92 SER HN . 15512 1 1079 . 1 1 92 92 SER HA H 1 6.093 0.01 . 1 . . . . 92 SER HA . 15512 1 1080 . 1 1 92 92 SER HB2 H 1 3.644 0.01 . 2 . . . . 92 SER HB1 . 15512 1 1081 . 1 1 92 92 SER HB3 H 1 3.644 0.01 . 2 . . . . 92 SER HB2 . 15512 1 1082 . 1 1 92 92 SER C C 13 173.830 0.1 . 1 . . . . 92 SER C . 15512 1 1083 . 1 1 92 92 SER CA C 13 57.202 0.1 . 1 . . . . 92 SER CA . 15512 1 1084 . 1 1 92 92 SER CB C 13 67.088 0.1 . 1 . . . . 92 SER CB . 15512 1 1085 . 1 1 92 92 SER N N 15 115.790 0.1 . 1 . . . . 92 SER N . 15512 1 1086 . 1 1 93 93 CYS H H 1 8.699 0.01 . 1 . . . . 93 CYS HN . 15512 1 1087 . 1 1 93 93 CYS HA H 1 4.845 0.01 . 1 . . . . 93 CYS HA . 15512 1 1088 . 1 1 93 93 CYS HB2 H 1 2.532 0.01 . 2 . . . . 93 CYS HB1 . 15512 1 1089 . 1 1 93 93 CYS HB3 H 1 2.759 0.01 . 2 . . . . 93 CYS HB2 . 15512 1 1090 . 1 1 93 93 CYS C C 13 173.411 0.1 . 1 . . . . 93 CYS C . 15512 1 1091 . 1 1 93 93 CYS CA C 13 57.566 0.1 . 1 . . . . 93 CYS CA . 15512 1 1092 . 1 1 93 93 CYS CB C 13 29.858 0.1 . 1 . . . . 93 CYS CB . 15512 1 1093 . 1 1 93 93 CYS N N 15 116.354 0.1 . 1 . . . . 93 CYS N . 15512 1 1094 . 1 1 94 94 THR H H 1 8.426 0.01 . 1 . . . . 94 THR HN . 15512 1 1095 . 1 1 94 94 THR HA H 1 5.608 0.01 . 1 . . . . 94 THR HA . 15512 1 1096 . 1 1 94 94 THR HB H 1 3.723 0.01 . 1 . . . . 94 THR HB . 15512 1 1097 . 1 1 94 94 THR HG21 H 1 1.049 0.01 . 1 . . . . 94 THR HG21 . 15512 1 1098 . 1 1 94 94 THR HG22 H 1 1.049 0.01 . 1 . . . . 94 THR HG21 . 15512 1 1099 . 1 1 94 94 THR HG23 H 1 1.049 0.01 . 1 . . . . 94 THR HG21 . 15512 1 1100 . 1 1 94 94 THR C C 13 173.411 0.1 . 1 . . . . 94 THR C . 15512 1 1101 . 1 1 94 94 THR CA C 13 61.640 0.1 . 1 . . . . 94 THR CA . 15512 1 1102 . 1 1 94 94 THR CB C 13 72.427 0.1 . 1 . . . . 94 THR CB . 15512 1 1103 . 1 1 94 94 THR CG2 C 13 21.596 0.1 . 1 . . . . 94 THR CG2 . 15512 1 1104 . 1 1 94 94 THR N N 15 117.458 0.1 . 1 . . . . 94 THR N . 15512 1 1105 . 1 1 95 95 GLY H H 1 9.736 0.01 . 1 . . . . 95 GLY HN . 15512 1 1106 . 1 1 95 95 GLY HA2 H 1 3.684 0.01 . 2 . . . . 95 GLY HA1 . 15512 1 1107 . 1 1 95 95 GLY HA3 H 1 4.605 0.01 . 2 . . . . 95 GLY HA2 . 15512 1 1108 . 1 1 95 95 GLY CA C 13 44.345 0.1 . 1 . . . . 95 GLY CA . 15512 1 1109 . 1 1 95 95 GLY N N 15 117.541 0.1 . 1 . . . . 95 GLY N . 15512 1 1110 . 1 1 96 96 ARG H H 1 10.370 0.01 . 1 . . . . 96 ARG HN . 15512 1 1111 . 1 1 96 96 ARG HA H 1 5.212 0.01 . 1 . . . . 96 ARG HA . 15512 1 1112 . 1 1 96 96 ARG HB2 H 1 1.773 0.01 . 2 . . . . 96 ARG HB1 . 15512 1 1113 . 1 1 96 96 ARG HB3 H 1 1.832 0.01 . 2 . . . . 96 ARG HB2 . 15512 1 1114 . 1 1 96 96 ARG HD2 H 1 3.103 0.01 . 2 . . . . 96 ARG HD1 . 15512 1 1115 . 1 1 96 96 ARG HD3 H 1 3.156 0.01 . 2 . . . . 96 ARG HD2 . 15512 1 1116 . 1 1 96 96 ARG HG2 H 1 1.434 0.01 . 2 . . . . 96 ARG HG1 . 15512 1 1117 . 1 1 96 96 ARG HG3 H 1 1.434 0.01 . 2 . . . . 96 ARG HG2 . 15512 1 1118 . 1 1 96 96 ARG CA C 13 55.366 0.1 . 1 . . . . 96 ARG CA . 15512 1 1119 . 1 1 96 96 ARG CB C 13 32.328 0.1 . 1 . . . . 96 ARG CB . 15512 1 1120 . 1 1 96 96 ARG CD C 13 43.850 0.1 . 1 . . . . 96 ARG CD . 15512 1 1121 . 1 1 96 96 ARG CG C 13 27.983 0.1 . 1 . . . . 96 ARG CG . 15512 1 1122 . 1 1 96 96 ARG N N 15 127.360 0.1 . 1 . . . . 96 ARG N . 15512 1 1123 . 1 1 97 97 LEU H H 1 9.578 0.01 . 1 . . . . 97 LEU HN . 15512 1 1124 . 1 1 97 97 LEU HA H 1 5.425 0.01 . 1 . . . . 97 LEU HA . 15512 1 1125 . 1 1 97 97 LEU HB2 H 1 2.705 0.01 . 2 . . . . 97 LEU HB1 . 15512 1 1126 . 1 1 97 97 LEU HB3 H 1 1.691 0.01 . 2 . . . . 97 LEU HB2 . 15512 1 1127 . 1 1 97 97 LEU HD11 H 1 0.854 0.01 . 2 . . . . 97 LEU HD11 . 15512 1 1128 . 1 1 97 97 LEU HD12 H 1 0.854 0.01 . 2 . . . . 97 LEU HD11 . 15512 1 1129 . 1 1 97 97 LEU HD13 H 1 0.854 0.01 . 2 . . . . 97 LEU HD11 . 15512 1 1130 . 1 1 97 97 LEU HD21 H 1 0.855 0.01 . 2 . . . . 97 LEU HD21 . 15512 1 1131 . 1 1 97 97 LEU HD22 H 1 0.855 0.01 . 2 . . . . 97 LEU HD21 . 15512 1 1132 . 1 1 97 97 LEU HD23 H 1 0.855 0.01 . 2 . . . . 97 LEU HD21 . 15512 1 1133 . 1 1 97 97 LEU HG H 1 1.346 0.01 . 1 . . . . 97 LEU HG . 15512 1 1134 . 1 1 97 97 LEU C C 13 175.999 0.1 . 1 . . . . 97 LEU C . 15512 1 1135 . 1 1 97 97 LEU CA C 13 53.363 0.1 . 1 . . . . 97 LEU CA . 15512 1 1136 . 1 1 97 97 LEU CB C 13 45.667 0.1 . 1 . . . . 97 LEU CB . 15512 1 1137 . 1 1 97 97 LEU CD1 C 13 24.366 0.1 . 1 . . . . 97 LEU CD1 . 15512 1 1138 . 1 1 97 97 LEU CD2 C 13 25.940 0.1 . 1 . . . . 97 LEU CD2 . 15512 1 1139 . 1 1 97 97 LEU CG C 13 27.858 0.1 . 1 . . . . 97 LEU CG . 15512 1 1140 . 1 1 97 97 LEU N N 15 126.535 0.1 . 1 . . . . 97 LEU N . 15512 1 1141 . 1 1 98 98 MET H H 1 9.004 0.01 . 1 . . . . 98 MET HN . 15512 1 1142 . 1 1 98 98 MET HA H 1 5.206 0.01 . 1 . . . . 98 MET HA . 15512 1 1143 . 1 1 98 98 MET HB2 H 1 1.913 0.01 . 2 . . . . 98 MET HB1 . 15512 1 1144 . 1 1 98 98 MET HB3 H 1 2.043 0.01 . 2 . . . . 98 MET HB2 . 15512 1 1145 . 1 1 98 98 MET HG2 H 1 2.482 0.01 . 2 . . . . 98 MET HG1 . 15512 1 1146 . 1 1 98 98 MET HG3 H 1 2.568 0.01 . 2 . . . . 98 MET HG2 . 15512 1 1147 . 1 1 98 98 MET C C 13 174.581 0.1 . 1 . . . . 98 MET C . 15512 1 1148 . 1 1 98 98 MET CA C 13 54.108 0.1 . 1 . . . . 98 MET CA . 15512 1 1149 . 1 1 98 98 MET CB C 13 34.950 0.1 . 1 . . . . 98 MET CB . 15512 1 1150 . 1 1 98 98 MET CG C 13 32.351 0.1 . 1 . . . . 98 MET CG . 15512 1 1151 . 1 1 98 98 MET N N 15 129.309 0.1 . 1 . . . . 98 MET N . 15512 1 1152 . 1 1 99 99 VAL H H 1 9.399 0.01 . 1 . . . . 99 VAL HN . 15512 1 1153 . 1 1 99 99 VAL HA H 1 4.376 0.01 . 1 . . . . 99 VAL HA . 15512 1 1154 . 1 1 99 99 VAL HB H 1 1.986 0.01 . 1 . . . . 99 VAL HB . 15512 1 1155 . 1 1 99 99 VAL HG11 H 1 0.773 0.01 . 2 . . . . 99 VAL HG11 . 15512 1 1156 . 1 1 99 99 VAL HG12 H 1 0.773 0.01 . 2 . . . . 99 VAL HG11 . 15512 1 1157 . 1 1 99 99 VAL HG13 H 1 0.773 0.01 . 2 . . . . 99 VAL HG11 . 15512 1 1158 . 1 1 99 99 VAL HG21 H 1 0.603 0.01 . 2 . . . . 99 VAL HG21 . 15512 1 1159 . 1 1 99 99 VAL HG22 H 1 0.603 0.01 . 2 . . . . 99 VAL HG21 . 15512 1 1160 . 1 1 99 99 VAL HG23 H 1 0.603 0.01 . 2 . . . . 99 VAL HG21 . 15512 1 1161 . 1 1 99 99 VAL C C 13 174.732 0.1 . 1 . . . . 99 VAL C . 15512 1 1162 . 1 1 99 99 VAL CA C 13 61.073 0.1 . 1 . . . . 99 VAL CA . 15512 1 1163 . 1 1 99 99 VAL CB C 13 33.450 0.1 . 1 . . . . 99 VAL CB . 15512 1 1164 . 1 1 99 99 VAL CG1 C 13 20.310 0.1 . 1 . . . . 99 VAL CG1 . 15512 1 1165 . 1 1 99 99 VAL CG2 C 13 21.320 0.1 . 1 . . . . 99 VAL CG2 . 15512 1 1166 . 1 1 99 99 VAL N N 15 125.348 0.1 . 1 . . . . 99 VAL N . 15512 1 1167 . 1 1 100 100 GLN H H 1 8.771 0.01 . 1 . . . . 100 GLN HN . 15512 1 1168 . 1 1 100 100 GLN HA H 1 4.474 0.01 . 1 . . . . 100 GLN HA . 15512 1 1169 . 1 1 100 100 GLN HB2 H 1 1.818 0.01 . 2 . . . . 100 GLN HB1 . 15512 1 1170 . 1 1 100 100 GLN HB3 H 1 1.585 0.01 . 2 . . . . 100 GLN HB2 . 15512 1 1171 . 1 1 100 100 GLN HE21 H 1 6.815 0.01 . 2 . . . . 100 GLN HE21 . 15512 1 1172 . 1 1 100 100 GLN HE22 H 1 6.707 0.01 . 2 . . . . 100 GLN HE22 . 15512 1 1173 . 1 1 100 100 GLN HG2 H 1 2.131 0.01 . 2 . . . . 100 GLN HG1 . 15512 1 1174 . 1 1 100 100 GLN HG3 H 1 2.130 0.01 . 2 . . . . 100 GLN HG2 . 15512 1 1175 . 1 1 100 100 GLN C C 13 175.093 0.1 . 1 . . . . 100 GLN C . 15512 1 1176 . 1 1 100 100 GLN CA C 13 54.296 0.1 . 1 . . . . 100 GLN CA . 15512 1 1177 . 1 1 100 100 GLN CB C 13 31.416 0.1 . 1 . . . . 100 GLN CB . 15512 1 1178 . 1 1 100 100 GLN CG C 13 34.435 0.1 . 1 . . . . 100 GLN CG . 15512 1 1179 . 1 1 100 100 GLN N N 15 125.988 0.1 . 1 . . . . 100 GLN N . 15512 1 1180 . 1 1 100 100 GLN NE2 N 15 110.959 0.1 . 1 . . . . 100 GLN NE2 . 15512 1 1181 . 1 1 101 101 ALA H H 1 8.728 0.01 . 1 . . . . 101 ALA HN . 15512 1 1182 . 1 1 101 101 ALA HA H 1 4.533 0.01 . 1 . . . . 101 ALA HA . 15512 1 1183 . 1 1 101 101 ALA HB1 H 1 1.460 0.01 . 1 . . . . 101 ALA HB1 . 15512 1 1184 . 1 1 101 101 ALA HB2 H 1 1.460 0.01 . 1 . . . . 101 ALA HB1 . 15512 1 1185 . 1 1 101 101 ALA HB3 H 1 1.460 0.01 . 1 . . . . 101 ALA HB1 . 15512 1 1186 . 1 1 101 101 ALA C C 13 178.226 0.1 . 1 . . . . 101 ALA C . 15512 1 1187 . 1 1 101 101 ALA CA C 13 52.333 0.1 . 1 . . . . 101 ALA CA . 15512 1 1188 . 1 1 101 101 ALA CB C 13 19.513 0.1 . 1 . . . . 101 ALA CB . 15512 1 1189 . 1 1 101 101 ALA N N 15 127.328 0.1 . 1 . . . . 101 ALA N . 15512 1 1190 . 1 1 102 102 VAL H H 1 9.046 0.01 . 1 . . . . 102 VAL HN . 15512 1 1191 . 1 1 102 102 VAL HA H 1 4.102 0.01 . 1 . . . . 102 VAL HA . 15512 1 1192 . 1 1 102 102 VAL HB H 1 2.055 0.01 . 1 . . . . 102 VAL HB . 15512 1 1193 . 1 1 102 102 VAL HG11 H 1 1.002 0.01 . 2 . . . . 102 VAL HG11 . 15512 1 1194 . 1 1 102 102 VAL HG12 H 1 1.002 0.01 . 2 . . . . 102 VAL HG11 . 15512 1 1195 . 1 1 102 102 VAL HG13 H 1 1.002 0.01 . 2 . . . . 102 VAL HG11 . 15512 1 1196 . 1 1 102 102 VAL HG21 H 1 0.914 0.01 . 2 . . . . 102 VAL HG21 . 15512 1 1197 . 1 1 102 102 VAL HG22 H 1 0.914 0.01 . 2 . . . . 102 VAL HG21 . 15512 1 1198 . 1 1 102 102 VAL HG23 H 1 0.914 0.01 . 2 . . . . 102 VAL HG21 . 15512 1 1199 . 1 1 102 102 VAL C C 13 178.226 0.1 . 1 . . . . 102 VAL C . 15512 1 1200 . 1 1 102 102 VAL CA C 13 62.975 0.1 . 1 . . . . 102 VAL CA . 15512 1 1201 . 1 1 102 102 VAL CB C 13 32.938 0.1 . 1 . . . . 102 VAL CB . 15512 1 1202 . 1 1 102 102 VAL CG1 C 13 21.288 0.1 . 1 . . . . 102 VAL CG1 . 15512 1 1203 . 1 1 102 102 VAL CG2 C 13 21.307 0.1 . 1 . . . . 102 VAL CG2 . 15512 1 1204 . 1 1 102 102 VAL N N 15 119.855 0.1 . 1 . . . . 102 VAL N . 15512 1 1205 . 1 1 103 103 ASN H H 1 8.419 0.01 . 1 . . . . 103 ASN HN . 15512 1 1206 . 1 1 103 103 ASN HD21 H 1 7.618 0.01 . 2 . . . . 103 ASN HD21 . 15512 1 1207 . 1 1 103 103 ASN HD22 H 1 6.898 0.01 . 2 . . . . 103 ASN HD22 . 15512 1 1208 . 1 1 103 103 ASN C C 13 171.163 0.1 . 1 . . . . 103 ASN C . 15512 1 1209 . 1 1 103 103 ASN CA C 13 53.348 0.1 . 1 . . . . 103 ASN CA . 15512 1 1210 . 1 1 103 103 ASN CB C 13 38.692 0.1 . 1 . . . . 103 ASN CB . 15512 1 1211 . 1 1 103 103 ASN N N 15 121.224 0.1 . 1 . . . . 103 ASN N . 15512 1 1212 . 1 1 103 103 ASN ND2 N 15 112.796 0.1 . 1 . . . . 103 ASN ND2 . 15512 1 1213 . 1 1 104 104 GLN H H 1 8.425 0.01 . 1 . . . . 104 GLN HN . 15512 1 1214 . 1 1 104 104 GLN HA H 1 4.295 0.01 . 1 . . . . 104 GLN HA . 15512 1 1215 . 1 1 104 104 GLN HB2 H 1 2.152 0.01 . 2 . . . . 104 GLN HB1 . 15512 1 1216 . 1 1 104 104 GLN HB3 H 1 1.973 0.01 . 2 . . . . 104 GLN HB2 . 15512 1 1217 . 1 1 104 104 GLN HE21 H 1 7.521 0.01 . 2 . . . . 104 GLN HE21 . 15512 1 1218 . 1 1 104 104 GLN HE22 H 1 6.856 0.01 . 2 . . . . 104 GLN HE22 . 15512 1 1219 . 1 1 104 104 GLN HG2 H 1 2.353 0.01 . 2 . . . . 104 GLN HG1 . 15512 1 1220 . 1 1 104 104 GLN HG3 H 1 2.353 0.01 . 2 . . . . 104 GLN HG2 . 15512 1 1221 . 1 1 104 104 GLN C C 13 176.014 0.1 . 1 . . . . 104 GLN C . 15512 1 1222 . 1 1 104 104 GLN CA C 13 56.026 0.1 . 1 . . . . 104 GLN CA . 15512 1 1223 . 1 1 104 104 GLN CB C 13 29.391 0.1 . 1 . . . . 104 GLN CB . 15512 1 1224 . 1 1 104 104 GLN CG C 13 33.841 0.1 . 1 . . . . 104 GLN CG . 15512 1 1225 . 1 1 104 104 GLN N N 15 121.018 0.1 . 1 . . . . 104 GLN N . 15512 1 1226 . 1 1 104 104 GLN NE2 N 15 112.530 0.1 . 1 . . . . 104 GLN NE2 . 15512 1 1227 . 1 1 105 105 ARG H H 1 8.333 0.01 . 1 . . . . 105 ARG HN . 15512 1 1228 . 1 1 105 105 ARG HA H 1 4.246 0.01 . 1 . . . . 105 ARG HA . 15512 1 1229 . 1 1 105 105 ARG HB2 H 1 1.841 0.01 . 2 . . . . 105 ARG HB1 . 15512 1 1230 . 1 1 105 105 ARG HB3 H 1 1.729 0.01 . 2 . . . . 105 ARG HB2 . 15512 1 1231 . 1 1 105 105 ARG HD2 H 1 3.182 0.01 . 2 . . . . 105 ARG HD1 . 15512 1 1232 . 1 1 105 105 ARG HD3 H 1 3.182 0.01 . 2 . . . . 105 ARG HD2 . 15512 1 1233 . 1 1 105 105 ARG HG2 H 1 1.620 0.01 . 2 . . . . 105 ARG HG1 . 15512 1 1234 . 1 1 105 105 ARG HG3 H 1 1.620 0.01 . 2 . . . . 105 ARG HG2 . 15512 1 1235 . 1 1 105 105 ARG C C 13 176.871 0.1 . 1 . . . . 105 ARG C . 15512 1 1236 . 1 1 105 105 ARG CA C 13 56.609 0.1 . 1 . . . . 105 ARG CA . 15512 1 1237 . 1 1 105 105 ARG CB C 13 30.594 0.1 . 1 . . . . 105 ARG CB . 15512 1 1238 . 1 1 105 105 ARG CD C 13 43.397 0.1 . 1 . . . . 105 ARG CD . 15512 1 1239 . 1 1 105 105 ARG CG C 13 27.036 0.1 . 1 . . . . 105 ARG CG . 15512 1 1240 . 1 1 105 105 ARG N N 15 122.041 0.1 . 1 . . . . 105 ARG N . 15512 1 1241 . 1 1 106 106 GLY H H 1 8.447 0.01 . 1 . . . . 106 GLY HN . 15512 1 1242 . 1 1 106 106 GLY HA2 H 1 3.950 0.01 . 2 . . . . 106 GLY HA1 . 15512 1 1243 . 1 1 106 106 GLY HA3 H 1 3.950 0.01 . 2 . . . . 106 GLY HA2 . 15512 1 1244 . 1 1 106 106 GLY C C 13 173.918 0.1 . 1 . . . . 106 GLY C . 15512 1 1245 . 1 1 106 106 GLY CA C 13 45.336 0.1 . 1 . . . . 106 GLY CA . 15512 1 1246 . 1 1 106 106 GLY N N 15 110.261 0.1 . 1 . . . . 106 GLY N . 15512 1 1247 . 1 1 107 107 ARG H H 1 8.146 0.01 . 1 . . . . 107 ARG HN . 15512 1 1248 . 1 1 107 107 ARG HA H 1 4.441 0.01 . 1 . . . . 107 ARG HA . 15512 1 1249 . 1 1 107 107 ARG HB2 H 1 1.760 0.01 . 2 . . . . 107 ARG HB1 . 15512 1 1250 . 1 1 107 107 ARG HB3 H 1 1.908 0.01 . 2 . . . . 107 ARG HB2 . 15512 1 1251 . 1 1 107 107 ARG HD2 H 1 3.174 0.01 . 2 . . . . 107 ARG HD1 . 15512 1 1252 . 1 1 107 107 ARG HD3 H 1 3.174 0.01 . 2 . . . . 107 ARG HD2 . 15512 1 1253 . 1 1 107 107 ARG HG2 H 1 1.622 0.01 . 2 . . . . 107 ARG HG1 . 15512 1 1254 . 1 1 107 107 ARG HG3 H 1 1.622 0.01 . 2 . . . . 107 ARG HG2 . 15512 1 1255 . 1 1 107 107 ARG C C 13 175.600 0.1 . 1 . . . . 107 ARG C . 15512 1 1256 . 1 1 107 107 ARG CA C 13 56.014 0.1 . 1 . . . . 107 ARG CA . 15512 1 1257 . 1 1 107 107 ARG CB C 13 31.030 0.1 . 1 . . . . 107 ARG CB . 15512 1 1258 . 1 1 107 107 ARG CD C 13 43.407 0.1 . 1 . . . . 107 ARG CD . 15512 1 1259 . 1 1 107 107 ARG CG C 13 29.928 0.1 . 1 . . . . 107 ARG CG . 15512 1 1260 . 1 1 107 107 ARG N N 15 120.819 0.1 . 1 . . . . 107 ARG N . 15512 1 1261 . 1 1 108 108 SER H H 1 8.031 0.01 . 1 . . . . 108 SER HN . 15512 1 1262 . 1 1 108 108 SER HA H 1 4.264 0.01 . 1 . . . . 108 SER HA . 15512 1 1263 . 1 1 108 108 SER HB2 H 1 3.829 0.01 . 2 . . . . 108 SER HB1 . 15512 1 1264 . 1 1 108 108 SER HB3 H 1 3.829 0.01 . 2 . . . . 108 SER HB2 . 15512 1 1265 . 1 1 108 108 SER C C 13 175.600 0.1 . 1 . . . . 108 SER C . 15512 1 1266 . 1 1 108 108 SER CA C 13 59.993 0.1 . 1 . . . . 108 SER CA . 15512 1 1267 . 1 1 108 108 SER CB C 13 64.804 0.1 . 1 . . . . 108 SER CB . 15512 1 1268 . 1 1 108 108 SER N N 15 122.744 0.1 . 1 . . . . 108 SER N . 15512 1 stop_ save_