data_16450 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16450 _Entry.Title ; Backbone and side chain 1H, 13C, 15N chemical shift assignments for YSK2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-17 _Entry.Accession_date 2009-08-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Emma Findlater . E. . 16450 2 Graether Steffen . P. . 16450 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Guelph' . 16450 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16450 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 16450 '15N chemical shifts' 109 16450 '1H chemical shifts' 615 16450 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-25 2009-08-17 update BMRB 'complete entry citation' 16450 1 . . 2009-11-16 2009-08-17 original author 'original release' 16450 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16450 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19842064 _Citation.Full_citation . _Citation.Title 'NMR assignments of the intrinsically disordered K(2) and YSK (2) dehydrins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 273 _Citation.Page_last 275 _Citation.Year 2009 _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 Emma Findlater . E. . 16450 1 2 Steffen Graether . P. . 16450 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16450 _Assembly.ID 1 _Assembly.Name YSK2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YSK2 monomer' 1 $YSK2 A . yes native no no . . . 16450 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YSK2 _Entity.Sf_category entity _Entity.Sf_framecode YSK2 _Entity.Entry_ID 16450 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YSK2 _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 ; MAYQQDPCANPTRQTGKTGG QTDQYGNPVHQTEALGAYGA GTGTGMHGGEHQQQPHQQPG VLNRSGSSSSEDDGQGGRRK KGMKEKIKERIPGMGRKDEQ KQTSATSTPGQGQQQKGMME KIKEKLPGAH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAM13716 . "dehydrin 1a [Vitis hybrid cultivar]" . . . . . 100.00 130 98.46 99.23 1.06e-83 . . . . 16450 1 2 no DBJ BAM13717 . "dehydrin 1a [Vitis flexuosa]" . . . . . 100.00 130 98.46 98.46 2.81e-83 . . . . 16450 1 3 no GB AAF37268 . "dehydrin-like protein [Vitis riparia]" . . . . . 100.00 130 99.23 100.00 1.28e-84 . . . . 16450 1 4 no GB AAW58105 . "dehydrin 1a [Vitis riparia]" . . . . . 100.00 130 100.00 100.00 1.13e-85 . . . . 16450 1 5 no GB AEP60143 . "dehydrin 1 [Vitis yeshanensis]" . . . . . 100.00 130 96.92 97.69 1.34e-81 . . . . 16450 1 6 no GB AFD62287 . "DHN1a [Vitis vinifera]" . . . . . 100.00 130 96.92 97.69 5.71e-82 . . . . 16450 1 7 no GB AFG16844 . "dehydrin 1 [Vitis bryoniifolia var. bryoniifolia]" . . . . . 100.00 130 96.92 97.69 5.71e-82 . . . . 16450 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16450 1 2 . ALA . 16450 1 3 . TYR . 16450 1 4 . GLN . 16450 1 5 . GLN . 16450 1 6 . ASP . 16450 1 7 . PRO . 16450 1 8 . CYS . 16450 1 9 . ALA . 16450 1 10 . ASN . 16450 1 11 . PRO . 16450 1 12 . THR . 16450 1 13 . ARG . 16450 1 14 . GLN . 16450 1 15 . THR . 16450 1 16 . GLY . 16450 1 17 . LYS . 16450 1 18 . THR . 16450 1 19 . GLY . 16450 1 20 . GLY . 16450 1 21 . GLN . 16450 1 22 . THR . 16450 1 23 . ASP . 16450 1 24 . GLN . 16450 1 25 . TYR . 16450 1 26 . GLY . 16450 1 27 . ASN . 16450 1 28 . PRO . 16450 1 29 . VAL . 16450 1 30 . HIS . 16450 1 31 . GLN . 16450 1 32 . THR . 16450 1 33 . GLU . 16450 1 34 . ALA . 16450 1 35 . LEU . 16450 1 36 . GLY . 16450 1 37 . ALA . 16450 1 38 . TYR . 16450 1 39 . GLY . 16450 1 40 . ALA . 16450 1 41 . GLY . 16450 1 42 . THR . 16450 1 43 . GLY . 16450 1 44 . THR . 16450 1 45 . GLY . 16450 1 46 . MET . 16450 1 47 . HIS . 16450 1 48 . GLY . 16450 1 49 . GLY . 16450 1 50 . GLU . 16450 1 51 . HIS . 16450 1 52 . GLN . 16450 1 53 . GLN . 16450 1 54 . GLN . 16450 1 55 . PRO . 16450 1 56 . HIS . 16450 1 57 . GLN . 16450 1 58 . GLN . 16450 1 59 . PRO . 16450 1 60 . GLY . 16450 1 61 . VAL . 16450 1 62 . LEU . 16450 1 63 . ASN . 16450 1 64 . ARG . 16450 1 65 . SER . 16450 1 66 . GLY . 16450 1 67 . SER . 16450 1 68 . SER . 16450 1 69 . SER . 16450 1 70 . SER . 16450 1 71 . GLU . 16450 1 72 . ASP . 16450 1 73 . ASP . 16450 1 74 . GLY . 16450 1 75 . GLN . 16450 1 76 . GLY . 16450 1 77 . GLY . 16450 1 78 . ARG . 16450 1 79 . ARG . 16450 1 80 . LYS . 16450 1 81 . LYS . 16450 1 82 . GLY . 16450 1 83 . MET . 16450 1 84 . LYS . 16450 1 85 . GLU . 16450 1 86 . LYS . 16450 1 87 . ILE . 16450 1 88 . LYS . 16450 1 89 . GLU . 16450 1 90 . ARG . 16450 1 91 . ILE . 16450 1 92 . PRO . 16450 1 93 . GLY . 16450 1 94 . MET . 16450 1 95 . GLY . 16450 1 96 . ARG . 16450 1 97 . LYS . 16450 1 98 . ASP . 16450 1 99 . GLU . 16450 1 100 . GLN . 16450 1 101 . LYS . 16450 1 102 . GLN . 16450 1 103 . THR . 16450 1 104 . SER . 16450 1 105 . ALA . 16450 1 106 . THR . 16450 1 107 . SER . 16450 1 108 . THR . 16450 1 109 . PRO . 16450 1 110 . GLY . 16450 1 111 . GLN . 16450 1 112 . GLY . 16450 1 113 . GLN . 16450 1 114 . GLN . 16450 1 115 . GLN . 16450 1 116 . LYS . 16450 1 117 . GLY . 16450 1 118 . MET . 16450 1 119 . MET . 16450 1 120 . GLU . 16450 1 121 . LYS . 16450 1 122 . ILE . 16450 1 123 . LYS . 16450 1 124 . GLU . 16450 1 125 . LYS . 16450 1 126 . LEU . 16450 1 127 . PRO . 16450 1 128 . GLY . 16450 1 129 . ALA . 16450 1 130 . HIS . 16450 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16450 1 . ALA 2 2 16450 1 . TYR 3 3 16450 1 . GLN 4 4 16450 1 . GLN 5 5 16450 1 . ASP 6 6 16450 1 . PRO 7 7 16450 1 . CYS 8 8 16450 1 . ALA 9 9 16450 1 . ASN 10 10 16450 1 . PRO 11 11 16450 1 . THR 12 12 16450 1 . ARG 13 13 16450 1 . GLN 14 14 16450 1 . THR 15 15 16450 1 . GLY 16 16 16450 1 . LYS 17 17 16450 1 . THR 18 18 16450 1 . GLY 19 19 16450 1 . GLY 20 20 16450 1 . GLN 21 21 16450 1 . THR 22 22 16450 1 . ASP 23 23 16450 1 . GLN 24 24 16450 1 . TYR 25 25 16450 1 . GLY 26 26 16450 1 . ASN 27 27 16450 1 . PRO 28 28 16450 1 . VAL 29 29 16450 1 . HIS 30 30 16450 1 . GLN 31 31 16450 1 . THR 32 32 16450 1 . GLU 33 33 16450 1 . ALA 34 34 16450 1 . LEU 35 35 16450 1 . GLY 36 36 16450 1 . ALA 37 37 16450 1 . TYR 38 38 16450 1 . GLY 39 39 16450 1 . ALA 40 40 16450 1 . GLY 41 41 16450 1 . THR 42 42 16450 1 . GLY 43 43 16450 1 . THR 44 44 16450 1 . GLY 45 45 16450 1 . MET 46 46 16450 1 . HIS 47 47 16450 1 . GLY 48 48 16450 1 . GLY 49 49 16450 1 . GLU 50 50 16450 1 . HIS 51 51 16450 1 . GLN 52 52 16450 1 . GLN 53 53 16450 1 . GLN 54 54 16450 1 . PRO 55 55 16450 1 . HIS 56 56 16450 1 . GLN 57 57 16450 1 . GLN 58 58 16450 1 . PRO 59 59 16450 1 . GLY 60 60 16450 1 . VAL 61 61 16450 1 . LEU 62 62 16450 1 . ASN 63 63 16450 1 . ARG 64 64 16450 1 . SER 65 65 16450 1 . GLY 66 66 16450 1 . SER 67 67 16450 1 . SER 68 68 16450 1 . SER 69 69 16450 1 . SER 70 70 16450 1 . GLU 71 71 16450 1 . ASP 72 72 16450 1 . ASP 73 73 16450 1 . GLY 74 74 16450 1 . GLN 75 75 16450 1 . GLY 76 76 16450 1 . GLY 77 77 16450 1 . ARG 78 78 16450 1 . ARG 79 79 16450 1 . LYS 80 80 16450 1 . LYS 81 81 16450 1 . GLY 82 82 16450 1 . MET 83 83 16450 1 . LYS 84 84 16450 1 . GLU 85 85 16450 1 . LYS 86 86 16450 1 . ILE 87 87 16450 1 . LYS 88 88 16450 1 . GLU 89 89 16450 1 . ARG 90 90 16450 1 . ILE 91 91 16450 1 . PRO 92 92 16450 1 . GLY 93 93 16450 1 . MET 94 94 16450 1 . GLY 95 95 16450 1 . ARG 96 96 16450 1 . LYS 97 97 16450 1 . ASP 98 98 16450 1 . GLU 99 99 16450 1 . GLN 100 100 16450 1 . LYS 101 101 16450 1 . GLN 102 102 16450 1 . THR 103 103 16450 1 . SER 104 104 16450 1 . ALA 105 105 16450 1 . THR 106 106 16450 1 . SER 107 107 16450 1 . THR 108 108 16450 1 . PRO 109 109 16450 1 . GLY 110 110 16450 1 . GLN 111 111 16450 1 . GLY 112 112 16450 1 . GLN 113 113 16450 1 . GLN 114 114 16450 1 . GLN 115 115 16450 1 . LYS 116 116 16450 1 . GLY 117 117 16450 1 . MET 118 118 16450 1 . MET 119 119 16450 1 . GLU 120 120 16450 1 . LYS 121 121 16450 1 . ILE 122 122 16450 1 . LYS 123 123 16450 1 . GLU 124 124 16450 1 . LYS 125 125 16450 1 . LEU 126 126 16450 1 . PRO 127 127 16450 1 . GLY 128 128 16450 1 . ALA 129 129 16450 1 . HIS 130 130 16450 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 16450 _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 $YSK2 . 96939 organism . 'Vitis riparia' eudicots . . Eukaryota Viridiplantae Vitis riparia . . . . . . . . . . . . . . . . . . . . . 16450 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 16450 _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 $YSK2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 16450 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16450 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YSK2 '[U-100% 13C; U-100% 15N]' . . 1 $YSK2 . . 0.6 . . mM . . . . 16450 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16450 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16450 1 4 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16450 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 16450 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 16450 1 pH 6.0 . pH 16450 1 pressure 1 . atm 16450 1 temperature 300 . K 16450 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16450 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16450 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16450 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 16450 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16450 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16450 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16450 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16450 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16450 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 16450 _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 . . . . . . . . . . . . . . . . 16450 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16450 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 16450 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16450 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16450 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16450 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 16450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16450 1 2 '3D CBCA(CO)NH' . . . 16450 1 3 '3D HNCACB' . . . 16450 1 4 '3D HNCO' . . . 16450 1 5 '3D HNCACO' . . . 16450 1 6 '3D 1H-15N TOCSY' . . . 16450 1 7 '3D HCCH-TOCSY' . . . 16450 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.032 0.007 . 1 . . . . 2 Ala H . 16450 1 2 . 1 1 2 2 ALA HA H 1 4.247 0.006 . 1 . . . . 2 Ala HA . 16450 1 3 . 1 1 2 2 ALA HB1 H 1 1.244 0.002 . 1 . . . . 2 Ala HB1 . 16450 1 4 . 1 1 2 2 ALA HB2 H 1 1.244 0.002 . 1 . . . . 2 Ala HB2 . 16450 1 5 . 1 1 2 2 ALA HB3 H 1 1.244 0.002 . 1 . . . . 2 Ala HB3 . 16450 1 6 . 1 1 2 2 ALA C C 13 171.096 0.000 . 1 . . . . 2 Ala C . 16450 1 7 . 1 1 2 2 ALA CA C 13 52.648 0.000 . 1 . . . . 2 Ala CA . 16450 1 8 . 1 1 2 2 ALA CB C 13 18.913 0.000 . 1 . . . . 2 Ala CB . 16450 1 9 . 1 1 2 2 ALA N N 15 123.143 0.083 . 1 . . . . 2 Ala N . 16450 1 10 . 1 1 7 7 PRO C C 13 177.384 0.000 . 1 . . . . 7 Pro C . 16450 1 11 . 1 1 8 8 CYS H H 1 8.525 0.003 . 1 . . . . 8 Cys H . 16450 1 12 . 1 1 8 8 CYS HA H 1 4.669 0.013 . 1 . . . . 8 Cys HA . 16450 1 13 . 1 1 8 8 CYS HB2 H 1 3.026 0.005 . 2 . . . . 8 Cys HB2 . 16450 1 14 . 1 1 8 8 CYS HB3 H 1 3.250 0.002 . 2 . . . . 8 Cys HB3 . 16450 1 15 . 1 1 8 8 CYS C C 13 174.709 0.005 . 1 . . . . 8 Cys C . 16450 1 16 . 1 1 8 8 CYS CA C 13 55.000 0.010 . 1 . . . . 8 Cys CA . 16450 1 17 . 1 1 8 8 CYS CB C 13 39.891 0.000 . 1 . . . . 8 Cys CB . 16450 1 18 . 1 1 8 8 CYS N N 15 117.155 0.067 . 1 . . . . 8 Cys N . 16450 1 19 . 1 1 9 9 ALA H H 1 7.881 0.015 . 1 . . . . 9 Ala H . 16450 1 20 . 1 1 9 9 ALA HA H 1 4.298 0.009 . 1 . . . . 9 Ala HA . 16450 1 21 . 1 1 9 9 ALA HB1 H 1 1.405 0.004 . 1 . . . . 9 Ala HB1 . 16450 1 22 . 1 1 9 9 ALA HB2 H 1 1.405 0.004 . 1 . . . . 9 Ala HB2 . 16450 1 23 . 1 1 9 9 ALA HB3 H 1 1.405 0.004 . 1 . . . . 9 Ala HB3 . 16450 1 24 . 1 1 9 9 ALA C C 13 176.911 0.011 . 1 . . . . 9 Ala C . 16450 1 25 . 1 1 9 9 ALA CA C 13 52.662 0.019 . 1 . . . . 9 Ala CA . 16450 1 26 . 1 1 9 9 ALA CB C 13 19.272 0.042 . 1 . . . . 9 Ala CB . 16450 1 27 . 1 1 9 9 ALA N N 15 124.413 0.079 . 1 . . . . 9 Ala N . 16450 1 28 . 1 1 10 10 ASN H H 1 8.211 0.002 . 1 . . . . 10 Asn H . 16450 1 29 . 1 1 10 10 ASN HA H 1 4.945 0.001 . 1 . . . . 10 Asn HA . 16450 1 30 . 1 1 10 10 ASN HB2 H 1 2.762 0.002 . 1 . . . . 10 Asn HB2 . 16450 1 31 . 1 1 10 10 ASN HB3 H 1 2.762 0.002 . 1 . . . . 10 Asn HB3 . 16450 1 32 . 1 1 10 10 ASN C C 13 173.431 0.000 . 1 . . . . 10 Asn C . 16450 1 33 . 1 1 10 10 ASN CA C 13 51.447 0.000 . 1 . . . . 10 Asn CA . 16450 1 34 . 1 1 10 10 ASN CB C 13 39.011 0.000 . 1 . . . . 10 Asn CB . 16450 1 35 . 1 1 10 10 ASN N N 15 118.392 0.054 . 1 . . . . 10 Asn N . 16450 1 36 . 1 1 11 11 PRO HA H 1 4.520 0.019 . 1 . . . . 11 Pro HA . 16450 1 37 . 1 1 11 11 PRO HB2 H 1 2.301 0.001 . 1 . . . . 11 Pro HB2 . 16450 1 38 . 1 1 11 11 PRO HB3 H 1 2.301 0.001 . 1 . . . . 11 Pro HB3 . 16450 1 39 . 1 1 11 11 PRO HD2 H 1 3.876 0.007 . 1 . . . . 11 Pro HD2 . 16450 1 40 . 1 1 11 11 PRO HD3 H 1 3.875 0.007 . 1 . . . . 11 Pro HD3 . 16450 1 41 . 1 1 11 11 PRO HG2 H 1 2.003 0.002 . 1 . . . . 11 Pro HG2 . 16450 1 42 . 1 1 11 11 PRO HG3 H 1 2.005 0.000 . 1 . . . . 11 Pro HG3 . 16450 1 43 . 1 1 11 11 PRO C C 13 177.337 0.000 . 1 . . . . 11 Pro C . 16450 1 44 . 1 1 11 11 PRO CA C 13 63.847 0.064 . 1 . . . . 11 Pro CA . 16450 1 45 . 1 1 11 11 PRO CB C 13 32.161 0.006 . 1 . . . . 11 Pro CB . 16450 1 46 . 1 1 11 11 PRO CD C 13 50.273 0.000 . 1 . . . . 11 Pro CD . 16450 1 47 . 1 1 12 12 THR H H 1 8.200 0.003 . 1 . . . . 12 Thr H . 16450 1 48 . 1 1 12 12 THR HA H 1 4.377 0.002 . 1 . . . . 12 Thr HA . 16450 1 49 . 1 1 12 12 THR HB H 1 4.236 0.012 . 1 . . . . 12 Thr HB . 16450 1 50 . 1 1 12 12 THR HG21 H 1 1.220 0.007 . 1 . . . . 12 Thr HG21 . 16450 1 51 . 1 1 12 12 THR HG22 H 1 1.220 0.007 . 1 . . . . 12 Thr HG22 . 16450 1 52 . 1 1 12 12 THR HG23 H 1 1.220 0.007 . 1 . . . . 12 Thr HG23 . 16450 1 53 . 1 1 12 12 THR C C 13 174.686 0.005 . 1 . . . . 12 Thr C . 16450 1 54 . 1 1 12 12 THR CA C 13 62.383 0.000 . 1 . . . . 12 Thr CA . 16450 1 55 . 1 1 12 12 THR CB C 13 69.739 0.014 . 1 . . . . 12 Thr CB . 16450 1 56 . 1 1 12 12 THR CG2 C 13 21.516 0.000 . 1 . . . . 12 Thr CG2 . 16450 1 57 . 1 1 12 12 THR N N 15 113.650 0.052 . 1 . . . . 12 Thr N . 16450 1 58 . 1 1 13 13 ARG H H 1 8.163 0.003 . 1 . . . . 13 Arg H . 16450 1 59 . 1 1 13 13 ARG HA H 1 4.135 0.002 . 1 . . . . 13 Arg HA . 16450 1 60 . 1 1 13 13 ARG HB2 H 1 1.847 0.002 . 1 . . . . 13 Arg HB2 . 16450 1 61 . 1 1 13 13 ARG HB3 H 1 1.847 0.002 . 1 . . . . 13 Arg HB3 . 16450 1 62 . 1 1 13 13 ARG HD2 H 1 3.199 0.003 . 1 . . . . 13 Arg HD2 . 16450 1 63 . 1 1 13 13 ARG HD3 H 1 3.199 0.003 . 1 . . . . 13 Arg HD3 . 16450 1 64 . 1 1 13 13 ARG HG2 H 1 1.766 0.003 . 1 . . . . 13 Arg HG2 . 16450 1 65 . 1 1 13 13 ARG HG3 H 1 1.766 0.003 . 1 . . . . 13 Arg HG3 . 16450 1 66 . 1 1 13 13 ARG C C 13 176.091 0.000 . 1 . . . . 13 Arg C . 16450 1 67 . 1 1 13 13 ARG CA C 13 56.290 0.000 . 1 . . . . 13 Arg CA . 16450 1 68 . 1 1 13 13 ARG CB C 13 30.728 0.000 . 1 . . . . 13 Arg CB . 16450 1 69 . 1 1 13 13 ARG CD C 13 43.516 0.000 . 1 . . . . 13 Arg CD . 16450 1 70 . 1 1 13 13 ARG CG C 13 27.930 0.000 . 1 . . . . 13 Arg CG . 16450 1 71 . 1 1 13 13 ARG N N 15 123.181 0.051 . 1 . . . . 13 Arg N . 16450 1 72 . 1 1 14 14 GLN H H 1 8.421 0.004 . 1 . . . . 14 Gln H . 16450 1 73 . 1 1 14 14 GLN HA H 1 4.411 0.006 . 1 . . . . 14 Gln HA . 16450 1 74 . 1 1 14 14 GLN HB2 H 1 2.034 0.005 . 1 . . . . 14 Gln HB2 . 16450 1 75 . 1 1 14 14 GLN HB3 H 1 2.036 0.002 . 1 . . . . 14 Gln HB3 . 16450 1 76 . 1 1 14 14 GLN HG2 H 1 2.320 0.006 . 1 . . . . 14 Gln HG2 . 16450 1 77 . 1 1 14 14 GLN HG3 H 1 2.320 0.006 . 1 . . . . 14 Gln HG3 . 16450 1 78 . 1 1 14 14 GLN C C 13 177.016 0.000 . 1 . . . . 14 Gln C . 16450 1 79 . 1 1 14 14 GLN CA C 13 56.227 0.000 . 1 . . . . 14 Gln CA . 16450 1 80 . 1 1 14 14 GLN CB C 13 29.560 0.000 . 1 . . . . 14 Gln CB . 16450 1 81 . 1 1 14 14 GLN CG C 13 32.930 0.000 . 1 . . . . 14 Gln CG . 16450 1 82 . 1 1 14 14 GLN N N 15 119.500 0.000 . 1 . . . . 14 Gln N . 16450 1 83 . 1 1 15 15 THR H H 1 8.234 0.007 . 1 . . . . 15 Thr H . 16450 1 84 . 1 1 15 15 THR HA H 1 4.427 0.008 . 1 . . . . 15 Thr HA . 16450 1 85 . 1 1 15 15 THR HB H 1 4.255 0.004 . 1 . . . . 15 Thr HB . 16450 1 86 . 1 1 15 15 THR HG21 H 1 1.200 0.003 . 1 . . . . 15 Thr HG21 . 16450 1 87 . 1 1 15 15 THR HG22 H 1 1.200 0.003 . 1 . . . . 15 Thr HG22 . 16450 1 88 . 1 1 15 15 THR HG23 H 1 1.200 0.003 . 1 . . . . 15 Thr HG23 . 16450 1 89 . 1 1 15 15 THR C C 13 175.119 0.000 . 1 . . . . 15 Thr C . 16450 1 90 . 1 1 15 15 THR CA C 13 62.202 0.000 . 1 . . . . 15 Thr CA . 16450 1 91 . 1 1 15 15 THR CB C 13 70.670 0.000 . 1 . . . . 15 Thr CB . 16450 1 92 . 1 1 15 15 THR CG2 C 13 21.758 0.000 . 1 . . . . 15 Thr CG2 . 16450 1 93 . 1 1 15 15 THR N N 15 115.095 0.091 . 1 . . . . 15 Thr N . 16450 1 94 . 1 1 16 16 GLY H H 1 8.458 0.005 . 1 . . . . 16 Gly H . 16450 1 95 . 1 1 16 16 GLY HA2 H 1 4.000 0.000 . 1 . . . . 16 Gly HA2 . 16450 1 96 . 1 1 16 16 GLY HA3 H 1 4.000 0.000 . 1 . . . . 16 Gly HA3 . 16450 1 97 . 1 1 16 16 GLY C C 13 174.072 0.000 . 1 . . . . 16 Gly C . 16450 1 98 . 1 1 16 16 GLY CA C 13 45.384 0.000 . 1 . . . . 16 Gly CA . 16450 1 99 . 1 1 16 16 GLY N N 15 111.373 0.002 . 1 . . . . 16 Gly N . 16450 1 100 . 1 1 17 17 LYS H H 1 8.179 0.008 . 1 . . . . 17 Lys H . 16450 1 101 . 1 1 17 17 LYS HA H 1 4.501 0.002 . 1 . . . . 17 Lys HA . 16450 1 102 . 1 1 17 17 LYS HB2 H 1 1.881 0.001 . 1 . . . . 17 Lys HB2 . 16450 1 103 . 1 1 17 17 LYS HB3 H 1 1.881 0.001 . 1 . . . . 17 Lys HB3 . 16450 1 104 . 1 1 17 17 LYS HE2 H 1 2.995 0.002 . 1 . . . . 17 Lys HE2 . 16450 1 105 . 1 1 17 17 LYS HE3 H 1 2.995 0.002 . 1 . . . . 17 Lys HE3 . 16450 1 106 . 1 1 17 17 LYS C C 13 176.831 0.000 . 1 . . . . 17 Lys C . 16450 1 107 . 1 1 17 17 LYS CA C 13 55.922 0.000 . 1 . . . . 17 Lys CA . 16450 1 108 . 1 1 17 17 LYS CB C 13 32.865 0.000 . 1 . . . . 17 Lys CB . 16450 1 109 . 1 1 17 17 LYS N N 15 119.792 0.062 . 1 . . . . 17 Lys N . 16450 1 110 . 1 1 18 18 THR H H 1 8.240 0.006 . 1 . . . . 18 Thr H . 16450 1 111 . 1 1 18 18 THR HA H 1 4.418 0.009 . 1 . . . . 18 Thr HA . 16450 1 112 . 1 1 18 18 THR HB H 1 4.265 0.002 . 1 . . . . 18 Thr HB . 16450 1 113 . 1 1 18 18 THR HG21 H 1 1.212 0.004 . 1 . . . . 18 Thr HG21 . 16450 1 114 . 1 1 18 18 THR HG22 H 1 1.212 0.004 . 1 . . . . 18 Thr HG22 . 16450 1 115 . 1 1 18 18 THR HG23 H 1 1.212 0.004 . 1 . . . . 18 Thr HG23 . 16450 1 116 . 1 1 18 18 THR C C 13 174.585 0.000 . 1 . . . . 18 Thr C . 16450 1 117 . 1 1 18 18 THR CA C 13 62.039 0.000 . 1 . . . . 18 Thr CA . 16450 1 118 . 1 1 18 18 THR CB C 13 70.004 0.000 . 1 . . . . 18 Thr CB . 16450 1 119 . 1 1 18 18 THR CG2 C 13 22.102 0.000 . 1 . . . . 18 Thr CG2 . 16450 1 120 . 1 1 18 18 THR N N 15 115.284 0.138 . 1 . . . . 18 Thr N . 16450 1 121 . 1 1 19 19 GLY H H 1 8.454 0.004 . 1 . . . . 19 Gly H . 16450 1 122 . 1 1 19 19 GLY HA2 H 1 3.999 0.000 . 1 . . . . 19 Gly HA2 . 16450 1 123 . 1 1 19 19 GLY HA3 H 1 3.999 0.000 . 1 . . . . 19 Gly HA3 . 16450 1 124 . 1 1 19 19 GLY C C 13 174.578 0.000 . 1 . . . . 19 Gly C . 16450 1 125 . 1 1 19 19 GLY CA C 13 45.404 0.000 . 1 . . . . 19 Gly CA . 16450 1 126 . 1 1 19 19 GLY N N 15 111.220 0.000 . 1 . . . . 19 Gly N . 16450 1 127 . 1 1 20 20 GLY H H 1 8.305 0.004 . 1 . . . . 20 Gly H . 16450 1 128 . 1 1 20 20 GLY HA2 H 1 3.942 0.000 . 1 . . . . 20 Gly HA2 . 16450 1 129 . 1 1 20 20 GLY HA3 H 1 3.942 0.000 . 1 . . . . 20 Gly HA3 . 16450 1 130 . 1 1 20 20 GLY C C 13 174.105 0.000 . 1 . . . . 20 Gly C . 16450 1 131 . 1 1 20 20 GLY CA C 13 45.252 0.000 . 1 . . . . 20 Gly CA . 16450 1 132 . 1 1 20 20 GLY N N 15 108.822 0.051 . 1 . . . . 20 Gly N . 16450 1 133 . 1 1 21 21 GLN H H 1 8.405 0.002 . 1 . . . . 21 Gln H . 16450 1 134 . 1 1 21 21 GLN HA H 1 4.463 0.016 . 1 . . . . 21 Gln HA . 16450 1 135 . 1 1 21 21 GLN HB2 H 1 2.039 0.010 . 1 . . . . 21 Gln HB2 . 16450 1 136 . 1 1 21 21 GLN HB3 H 1 2.039 0.010 . 1 . . . . 21 Gln HB3 . 16450 1 137 . 1 1 21 21 GLN HG2 H 1 2.335 0.014 . 1 . . . . 21 Gln HG2 . 16450 1 138 . 1 1 21 21 GLN HG3 H 1 2.335 0.014 . 1 . . . . 21 Gln HG3 . 16450 1 139 . 1 1 21 21 GLN C C 13 176.307 0.000 . 1 . . . . 21 Gln C . 16450 1 140 . 1 1 21 21 GLN CA C 13 56.207 0.000 . 1 . . . . 21 Gln CA . 16450 1 141 . 1 1 21 21 GLN CB C 13 29.357 0.000 . 1 . . . . 21 Gln CB . 16450 1 142 . 1 1 21 21 GLN CG C 13 33.516 0.000 . 1 . . . . 21 Gln CG . 16450 1 143 . 1 1 21 21 GLN N N 15 119.500 0.000 . 1 . . . . 21 Gln N . 16450 1 144 . 1 1 22 22 THR H H 1 8.222 0.002 . 1 . . . . 22 Thr H . 16450 1 145 . 1 1 22 22 THR HA H 1 4.762 0.007 . 1 . . . . 22 Thr HA . 16450 1 146 . 1 1 22 22 THR HB H 1 4.090 0.023 . 1 . . . . 22 Thr HB . 16450 1 147 . 1 1 22 22 THR HG21 H 1 1.049 0.010 . 1 . . . . 22 Thr HG21 . 16450 1 148 . 1 1 22 22 THR HG22 H 1 1.049 0.010 . 1 . . . . 22 Thr HG22 . 16450 1 149 . 1 1 22 22 THR HG23 H 1 1.049 0.010 . 1 . . . . 22 Thr HG23 . 16450 1 150 . 1 1 22 22 THR C C 13 174.540 0.006 . 1 . . . . 22 Thr C . 16450 1 151 . 1 1 22 22 THR CA C 13 60.799 0.000 . 1 . . . . 22 Thr CA . 16450 1 152 . 1 1 22 22 THR CB C 13 71.448 0.000 . 1 . . . . 22 Thr CB . 16450 1 153 . 1 1 22 22 THR CG2 C 13 20.930 0.000 . 1 . . . . 22 Thr CG2 . 16450 1 154 . 1 1 22 22 THR N N 15 114.131 0.052 . 1 . . . . 22 Thr N . 16450 1 155 . 1 1 23 23 ASP H H 1 8.586 0.003 . 1 . . . . 23 Asp H . 16450 1 156 . 1 1 23 23 ASP HA H 1 4.654 0.000 . 1 . . . . 23 Asp HA . 16450 1 157 . 1 1 23 23 ASP C C 13 177.589 0.001 . 1 . . . . 23 Asp C . 16450 1 158 . 1 1 23 23 ASP CA C 13 53.350 0.016 . 1 . . . . 23 Asp CA . 16450 1 159 . 1 1 23 23 ASP CB C 13 41.232 0.000 . 1 . . . . 23 Asp CB . 16450 1 160 . 1 1 23 23 ASP N N 15 121.970 0.057 . 1 . . . . 23 Asp N . 16450 1 161 . 1 1 24 24 GLN H H 1 8.545 0.002 . 1 . . . . 24 Gln H . 16450 1 162 . 1 1 24 24 GLN HA H 1 4.135 0.000 . 1 . . . . 24 Gln HA . 16450 1 163 . 1 1 24 24 GLN C C 13 175.733 0.006 . 1 . . . . 24 Gln C . 16450 1 164 . 1 1 24 24 GLN CA C 13 57.218 0.000 . 1 . . . . 24 Gln CA . 16450 1 165 . 1 1 24 24 GLN CB C 13 28.438 0.001 . 1 . . . . 24 Gln CB . 16450 1 166 . 1 1 24 24 GLN N N 15 118.005 0.057 . 1 . . . . 24 Gln N . 16450 1 167 . 1 1 25 25 TYR H H 1 8.122 0.002 . 1 . . . . 25 Tyr H . 16450 1 168 . 1 1 25 25 TYR HA H 1 4.630 0.013 . 1 . . . . 25 Tyr HA . 16450 1 169 . 1 1 25 25 TYR HB2 H 1 2.894 0.003 . 2 . . . . 25 Tyr HB2 . 16450 1 170 . 1 1 25 25 TYR HB3 H 1 3.282 0.003 . 2 . . . . 25 Tyr HB3 . 16450 1 171 . 1 1 25 25 TYR C C 13 176.086 0.004 . 1 . . . . 25 Tyr C . 16450 1 172 . 1 1 25 25 TYR CA C 13 57.609 0.000 . 1 . . . . 25 Tyr CA . 16450 1 173 . 1 1 25 25 TYR CB C 13 38.403 0.016 . 1 . . . . 25 Tyr CB . 16450 1 174 . 1 1 25 25 TYR N N 15 120.074 0.111 . 1 . . . . 25 Tyr N . 16450 1 175 . 1 1 26 26 GLY H H 1 8.054 0.003 . 1 . . . . 26 Gly H . 16450 1 176 . 1 1 26 26 GLY HA2 H 1 3.734 0.000 . 2 . . . . 26 Gly HA2 . 16450 1 177 . 1 1 26 26 GLY HA3 H 1 4.145 0.000 . 2 . . . . 26 Gly HA3 . 16450 1 178 . 1 1 26 26 GLY C C 13 173.817 0.003 . 1 . . . . 26 Gly C . 16450 1 179 . 1 1 26 26 GLY CA C 13 45.162 0.000 . 1 . . . . 26 Gly CA . 16450 1 180 . 1 1 26 26 GLY N N 15 108.362 0.057 . 1 . . . . 26 Gly N . 16450 1 181 . 1 1 27 27 ASN H H 1 8.477 0.006 . 1 . . . . 27 Asn H . 16450 1 182 . 1 1 27 27 ASN HA H 1 5.026 0.001 . 1 . . . . 27 Asn HA . 16450 1 183 . 1 1 27 27 ASN HB2 H 1 2.820 0.008 . 1 . . . . 27 Asn HB2 . 16450 1 184 . 1 1 27 27 ASN HB3 H 1 2.820 0.008 . 1 . . . . 27 Asn HB3 . 16450 1 185 . 1 1 27 27 ASN C C 13 173.193 0.000 . 1 . . . . 27 Asn C . 16450 1 186 . 1 1 27 27 ASN CA C 13 51.402 0.000 . 1 . . . . 27 Asn CA . 16450 1 187 . 1 1 27 27 ASN CB C 13 38.435 0.000 . 1 . . . . 27 Asn CB . 16450 1 188 . 1 1 27 27 ASN N N 15 120.564 0.148 . 1 . . . . 27 Asn N . 16450 1 189 . 1 1 28 28 PRO HA H 1 4.508 0.007 . 1 . . . . 28 Pro HA . 16450 1 190 . 1 1 28 28 PRO HB2 H 1 2.300 0.003 . 1 . . . . 28 Pro HB2 . 16450 1 191 . 1 1 28 28 PRO HB3 H 1 2.300 0.003 . 1 . . . . 28 Pro HB3 . 16450 1 192 . 1 1 28 28 PRO HD2 H 1 3.871 0.003 . 1 . . . . 28 Pro HD2 . 16450 1 193 . 1 1 28 28 PRO HD3 H 1 3.871 0.003 . 1 . . . . 28 Pro HD3 . 16450 1 194 . 1 1 28 28 PRO HG2 H 1 2.019 0.006 . 1 . . . . 28 Pro HG2 . 16450 1 195 . 1 1 28 28 PRO HG3 H 1 2.019 0.006 . 1 . . . . 28 Pro HG3 . 16450 1 196 . 1 1 28 28 PRO C C 13 176.943 0.000 . 1 . . . . 28 Pro C . 16450 1 197 . 1 1 28 28 PRO CA C 13 63.425 0.019 . 1 . . . . 28 Pro CA . 16450 1 198 . 1 1 28 28 PRO CB C 13 32.001 0.000 . 1 . . . . 28 Pro CB . 16450 1 199 . 1 1 28 28 PRO CD C 13 50.273 0.000 . 1 . . . . 28 Pro CD . 16450 1 200 . 1 1 28 28 PRO CG C 13 27.687 0.000 . 1 . . . . 28 Pro CG . 16450 1 201 . 1 1 29 29 VAL H H 1 7.979 0.003 . 1 . . . . 29 Val H . 16450 1 202 . 1 1 29 29 VAL HA H 1 4.065 0.004 . 1 . . . . 29 Val HA . 16450 1 203 . 1 1 29 29 VAL HB H 1 1.920 0.012 . 1 . . . . 29 Val HB . 16450 1 204 . 1 1 29 29 VAL HG11 H 1 0.821 0.001 . 1 . . . . 29 Val HG11 . 16450 1 205 . 1 1 29 29 VAL HG12 H 1 0.821 0.001 . 1 . . . . 29 Val HG12 . 16450 1 206 . 1 1 29 29 VAL HG13 H 1 0.821 0.001 . 1 . . . . 29 Val HG13 . 16450 1 207 . 1 1 29 29 VAL HG21 H 1 0.821 0.001 . 1 . . . . 29 Val HG21 . 16450 1 208 . 1 1 29 29 VAL HG22 H 1 0.821 0.001 . 1 . . . . 29 Val HG22 . 16450 1 209 . 1 1 29 29 VAL HG23 H 1 0.821 0.001 . 1 . . . . 29 Val HG23 . 16450 1 210 . 1 1 29 29 VAL C C 13 175.852 0.000 . 1 . . . . 29 Val C . 16450 1 211 . 1 1 29 29 VAL CA C 13 62.364 0.000 . 1 . . . . 29 Val CA . 16450 1 212 . 1 1 29 29 VAL CB C 13 32.721 0.000 . 1 . . . . 29 Val CB . 16450 1 213 . 1 1 29 29 VAL CG1 C 13 20.930 0.000 . 1 . . . . 29 Val CG1 . 16450 1 214 . 1 1 29 29 VAL CG2 C 13 20.930 0.000 . 1 . . . . 29 Val CG2 . 16450 1 215 . 1 1 29 29 VAL N N 15 120.701 0.052 . 1 . . . . 29 Val N . 16450 1 216 . 1 1 30 30 HIS H H 1 8.447 0.005 . 1 . . . . 30 His H . 16450 1 217 . 1 1 30 30 HIS HA H 1 4.636 0.005 . 1 . . . . 30 His HA . 16450 1 218 . 1 1 30 30 HIS HB2 H 1 3.196 0.013 . 1 . . . . 30 His HB2 . 16450 1 219 . 1 1 30 30 HIS HB3 H 1 3.196 0.013 . 1 . . . . 30 His HB3 . 16450 1 220 . 1 1 30 30 HIS C C 13 174.096 0.005 . 1 . . . . 30 His C . 16450 1 221 . 1 1 30 30 HIS CA C 13 56.340 0.000 . 1 . . . . 30 His CA . 16450 1 222 . 1 1 30 30 HIS CB C 13 29.603 0.000 . 1 . . . . 30 His CB . 16450 1 223 . 1 1 30 30 HIS N N 15 122.771 0.222 . 1 . . . . 30 His N . 16450 1 224 . 1 1 31 31 GLN H H 1 8.474 0.001 . 1 . . . . 31 Gln H . 16450 1 225 . 1 1 31 31 GLN HA H 1 4.313 0.005 . 1 . . . . 31 Gln HA . 16450 1 226 . 1 1 31 31 GLN HB2 H 1 2.102 0.006 . 1 . . . . 31 Gln HB2 . 16450 1 227 . 1 1 31 31 GLN HB3 H 1 2.102 0.006 . 1 . . . . 31 Gln HB3 . 16450 1 228 . 1 1 31 31 GLN HG2 H 1 2.362 0.007 . 1 . . . . 31 Gln HG2 . 16450 1 229 . 1 1 31 31 GLN HG3 H 1 2.362 0.007 . 1 . . . . 31 Gln HG3 . 16450 1 230 . 1 1 31 31 GLN C C 13 176.250 0.000 . 1 . . . . 31 Gln C . 16450 1 231 . 1 1 31 31 GLN CA C 13 56.316 0.000 . 1 . . . . 31 Gln CA . 16450 1 232 . 1 1 31 31 GLN CB C 13 29.732 0.000 . 1 . . . . 31 Gln CB . 16450 1 233 . 1 1 31 31 GLN CG C 13 32.786 0.000 . 1 . . . . 31 Gln CG . 16450 1 234 . 1 1 31 31 GLN N N 15 121.100 0.000 . 1 . . . . 31 Gln N . 16450 1 235 . 1 1 32 32 THR H H 1 8.271 0.004 . 1 . . . . 32 Thr H . 16450 1 236 . 1 1 32 32 THR HA H 1 4.377 0.008 . 1 . . . . 32 Thr HA . 16450 1 237 . 1 1 32 32 THR HB H 1 4.282 0.003 . 1 . . . . 32 Thr HB . 16450 1 238 . 1 1 32 32 THR HG21 H 1 1.204 0.010 . 1 . . . . 32 Thr HG21 . 16450 1 239 . 1 1 32 32 THR HG22 H 1 1.204 0.010 . 1 . . . . 32 Thr HG22 . 16450 1 240 . 1 1 32 32 THR HG23 H 1 1.204 0.010 . 1 . . . . 32 Thr HG23 . 16450 1 241 . 1 1 32 32 THR C C 13 174.605 0.000 . 1 . . . . 32 Thr C . 16450 1 242 . 1 1 32 32 THR CA C 13 62.176 0.000 . 1 . . . . 32 Thr CA . 16450 1 243 . 1 1 32 32 THR CB C 13 69.933 0.000 . 1 . . . . 32 Thr CB . 16450 1 244 . 1 1 32 32 THR CG2 C 13 22.102 0.000 . 1 . . . . 32 Thr CG2 . 16450 1 245 . 1 1 32 32 THR N N 15 115.878 0.029 . 1 . . . . 32 Thr N . 16450 1 246 . 1 1 33 33 GLU H H 1 8.472 0.003 . 1 . . . . 33 Glu H . 16450 1 247 . 1 1 33 33 GLU HA H 1 4.309 0.006 . 1 . . . . 33 Glu HA . 16450 1 248 . 1 1 33 33 GLU HB2 H 1 2.003 0.005 . 1 . . . . 33 Glu HB2 . 16450 1 249 . 1 1 33 33 GLU HB3 H 1 2.003 0.005 . 1 . . . . 33 Glu HB3 . 16450 1 250 . 1 1 33 33 GLU HG2 H 1 2.262 0.001 . 1 . . . . 33 Glu HG2 . 16450 1 251 . 1 1 33 33 GLU HG3 H 1 2.262 0.001 . 1 . . . . 33 Glu HG3 . 16450 1 252 . 1 1 33 33 GLU C C 13 176.180 0.006 . 1 . . . . 33 Glu C . 16450 1 253 . 1 1 33 33 GLU CA C 13 56.781 0.000 . 1 . . . . 33 Glu CA . 16450 1 254 . 1 1 33 33 GLU CB C 13 30.251 0.000 . 1 . . . . 33 Glu CB . 16450 1 255 . 1 1 33 33 GLU CG C 13 35.516 0.000 . 1 . . . . 33 Glu CG . 16450 1 256 . 1 1 33 33 GLU N N 15 123.542 0.052 . 1 . . . . 33 Glu N . 16450 1 257 . 1 1 34 34 ALA H H 1 8.318 0.003 . 1 . . . . 34 Ala H . 16450 1 258 . 1 1 34 34 ALA HA H 1 4.325 0.005 . 1 . . . . 34 Ala HA . 16450 1 259 . 1 1 34 34 ALA HB1 H 1 1.362 0.003 . 1 . . . . 34 Ala HB1 . 16450 1 260 . 1 1 34 34 ALA HB2 H 1 1.362 0.003 . 1 . . . . 34 Ala HB2 . 16450 1 261 . 1 1 34 34 ALA HB3 H 1 1.362 0.003 . 1 . . . . 34 Ala HB3 . 16450 1 262 . 1 1 34 34 ALA C C 13 177.646 0.011 . 1 . . . . 34 Ala C . 16450 1 263 . 1 1 34 34 ALA CA C 13 52.564 0.014 . 1 . . . . 34 Ala CA . 16450 1 264 . 1 1 34 34 ALA CB C 13 19.026 0.000 . 1 . . . . 34 Ala CB . 16450 1 265 . 1 1 34 34 ALA N N 15 125.327 0.054 . 1 . . . . 34 Ala N . 16450 1 266 . 1 1 35 35 LEU H H 1 8.175 0.005 . 1 . . . . 35 Leu H . 16450 1 267 . 1 1 35 35 LEU HA H 1 4.329 0.011 . 1 . . . . 35 Leu HA . 16450 1 268 . 1 1 35 35 LEU HB2 H 1 1.641 0.004 . 1 . . . . 35 Leu HB2 . 16450 1 269 . 1 1 35 35 LEU HB3 H 1 1.641 0.004 . 1 . . . . 35 Leu HB3 . 16450 1 270 . 1 1 35 35 LEU HD11 H 1 0.913 0.015 . 1 . . . . 35 Leu HD11 . 16450 1 271 . 1 1 35 35 LEU HD12 H 1 0.913 0.015 . 1 . . . . 35 Leu HD12 . 16450 1 272 . 1 1 35 35 LEU HD13 H 1 0.913 0.015 . 1 . . . . 35 Leu HD13 . 16450 1 273 . 1 1 35 35 LEU HD21 H 1 0.913 0.015 . 1 . . . . 35 Leu HD21 . 16450 1 274 . 1 1 35 35 LEU HD22 H 1 0.913 0.015 . 1 . . . . 35 Leu HD22 . 16450 1 275 . 1 1 35 35 LEU HD23 H 1 0.913 0.015 . 1 . . . . 35 Leu HD23 . 16450 1 276 . 1 1 35 35 LEU HG H 1 1.582 0.005 . 1 . . . . 35 Leu HG . 16450 1 277 . 1 1 35 35 LEU C C 13 178.044 0.005 . 1 . . . . 35 Leu C . 16450 1 278 . 1 1 35 35 LEU CA C 13 55.490 0.016 . 1 . . . . 35 Leu CA . 16450 1 279 . 1 1 35 35 LEU CB C 13 42.332 0.003 . 1 . . . . 35 Leu CB . 16450 1 280 . 1 1 35 35 LEU CD1 C 13 24.172 0.000 . 1 . . . . 35 Leu CD1 . 16450 1 281 . 1 1 35 35 LEU CD2 C 13 24.172 0.000 . 1 . . . . 35 Leu CD2 . 16450 1 282 . 1 1 35 35 LEU CG C 13 27.102 0.000 . 1 . . . . 35 Leu CG . 16450 1 283 . 1 1 35 35 LEU N N 15 121.381 0.052 . 1 . . . . 35 Leu N . 16450 1 284 . 1 1 36 36 GLY H H 1 8.296 0.005 . 1 . . . . 36 Gly H . 16450 1 285 . 1 1 36 36 GLY HA2 H 1 3.916 0.000 . 1 . . . . 36 Gly HA2 . 16450 1 286 . 1 1 36 36 GLY HA3 H 1 3.916 0.000 . 1 . . . . 36 Gly HA3 . 16450 1 287 . 1 1 36 36 GLY C C 13 173.923 0.009 . 1 . . . . 36 Gly C . 16450 1 288 . 1 1 36 36 GLY CA C 13 45.293 0.000 . 1 . . . . 36 Gly CA . 16450 1 289 . 1 1 36 36 GLY N N 15 109.399 0.059 . 1 . . . . 36 Gly N . 16450 1 290 . 1 1 37 37 ALA H H 1 8.054 0.004 . 1 . . . . 37 Ala H . 16450 1 291 . 1 1 37 37 ALA HA H 1 4.241 0.010 . 1 . . . . 37 Ala HA . 16450 1 292 . 1 1 37 37 ALA HB1 H 1 1.261 0.007 . 1 . . . . 37 Ala HB1 . 16450 1 293 . 1 1 37 37 ALA HB2 H 1 1.261 0.007 . 1 . . . . 37 Ala HB2 . 16450 1 294 . 1 1 37 37 ALA HB3 H 1 1.261 0.007 . 1 . . . . 37 Ala HB3 . 16450 1 295 . 1 1 37 37 ALA C C 13 177.552 0.000 . 1 . . . . 37 Ala C . 16450 1 296 . 1 1 37 37 ALA CA C 13 52.619 0.020 . 1 . . . . 37 Ala CA . 16450 1 297 . 1 1 37 37 ALA CB C 13 19.079 0.000 . 1 . . . . 37 Ala CB . 16450 1 298 . 1 1 37 37 ALA N N 15 123.221 0.152 . 1 . . . . 37 Ala N . 16450 1 299 . 1 1 38 38 TYR H H 1 8.167 0.003 . 1 . . . . 38 Tyr H . 16450 1 300 . 1 1 38 38 TYR HA H 1 4.544 0.005 . 1 . . . . 38 Tyr HA . 16450 1 301 . 1 1 38 38 TYR HB2 H 1 3.009 0.010 . 1 . . . . 38 Tyr HB2 . 16450 1 302 . 1 1 38 38 TYR HB3 H 1 3.009 0.010 . 1 . . . . 38 Tyr HB3 . 16450 1 303 . 1 1 38 38 TYR C C 13 176.528 0.001 . 1 . . . . 38 Tyr C . 16450 1 304 . 1 1 38 38 TYR CA C 13 58.200 0.000 . 1 . . . . 38 Tyr CA . 16450 1 305 . 1 1 38 38 TYR CB C 13 38.555 0.035 . 1 . . . . 38 Tyr CB . 16450 1 306 . 1 1 38 38 TYR N N 15 119.183 0.054 . 1 . . . . 38 Tyr N . 16450 1 307 . 1 1 39 39 GLY H H 1 8.218 0.003 . 1 . . . . 39 Gly H . 16450 1 308 . 1 1 39 39 GLY HA2 H 1 3.894 0.000 . 1 . . . . 39 Gly HA2 . 16450 1 309 . 1 1 39 39 GLY HA3 H 1 3.894 0.000 . 1 . . . . 39 Gly HA3 . 16450 1 310 . 1 1 39 39 GLY C C 13 173.898 0.005 . 1 . . . . 39 Gly C . 16450 1 311 . 1 1 39 39 GLY CA C 13 45.322 0.004 . 1 . . . . 39 Gly CA . 16450 1 312 . 1 1 39 39 GLY N N 15 110.541 0.059 . 1 . . . . 39 Gly N . 16450 1 313 . 1 1 40 40 ALA H H 1 8.156 0.004 . 1 . . . . 40 Ala H . 16450 1 314 . 1 1 40 40 ALA HA H 1 4.318 0.001 . 1 . . . . 40 Ala HA . 16450 1 315 . 1 1 40 40 ALA HB1 H 1 1.394 0.007 . 1 . . . . 40 Ala HB1 . 16450 1 316 . 1 1 40 40 ALA HB2 H 1 1.394 0.007 . 1 . . . . 40 Ala HB2 . 16450 1 317 . 1 1 40 40 ALA HB3 H 1 1.394 0.007 . 1 . . . . 40 Ala HB3 . 16450 1 318 . 1 1 40 40 ALA C C 13 178.319 0.004 . 1 . . . . 40 Ala C . 16450 1 319 . 1 1 40 40 ALA CA C 13 52.749 0.004 . 1 . . . . 40 Ala CA . 16450 1 320 . 1 1 40 40 ALA CB C 13 19.202 0.000 . 1 . . . . 40 Ala CB . 16450 1 321 . 1 1 40 40 ALA N N 15 123.813 0.025 . 1 . . . . 40 Ala N . 16450 1 322 . 1 1 41 41 GLY H H 1 8.433 0.003 . 1 . . . . 41 Gly H . 16450 1 323 . 1 1 41 41 GLY HA2 H 1 4.003 0.000 . 1 . . . . 41 Gly HA2 . 16450 1 324 . 1 1 41 41 GLY HA3 H 1 4.003 0.000 . 1 . . . . 41 Gly HA3 . 16450 1 325 . 1 1 41 41 GLY C C 13 174.579 0.000 . 1 . . . . 41 Gly C . 16450 1 326 . 1 1 41 41 GLY CA C 13 45.397 0.013 . 1 . . . . 41 Gly CA . 16450 1 327 . 1 1 41 41 GLY N N 15 108.187 0.059 . 1 . . . . 41 Gly N . 16450 1 328 . 1 1 42 42 THR H H 1 8.115 0.003 . 1 . . . . 42 Thr H . 16450 1 329 . 1 1 42 42 THR HA H 1 4.345 0.006 . 1 . . . . 42 Thr HA . 16450 1 330 . 1 1 42 42 THR HB H 1 4.265 0.003 . 1 . . . . 42 Thr HB . 16450 1 331 . 1 1 42 42 THR HG21 H 1 1.186 0.009 . 1 . . . . 42 Thr HG21 . 16450 1 332 . 1 1 42 42 THR HG22 H 1 1.186 0.009 . 1 . . . . 42 Thr HG22 . 16450 1 333 . 1 1 42 42 THR HG23 H 1 1.186 0.009 . 1 . . . . 42 Thr HG23 . 16450 1 334 . 1 1 42 42 THR C C 13 175.349 0.000 . 1 . . . . 42 Thr C . 16450 1 335 . 1 1 42 42 THR CA C 13 61.851 0.000 . 1 . . . . 42 Thr CA . 16450 1 336 . 1 1 42 42 THR CB C 13 69.775 0.000 . 1 . . . . 42 Thr CB . 16450 1 337 . 1 1 42 42 THR CG2 C 13 21.930 0.000 . 1 . . . . 42 Thr CG2 . 16450 1 338 . 1 1 42 42 THR N N 15 113.051 0.059 . 1 . . . . 42 Thr N . 16450 1 339 . 1 1 43 43 GLY H H 1 8.510 0.002 . 1 . . . . 43 Gly H . 16450 1 340 . 1 1 43 43 GLY HA2 H 1 3.989 0.000 . 1 . . . . 43 Gly HA2 . 16450 1 341 . 1 1 43 43 GLY HA3 H 1 3.989 0.000 . 1 . . . . 43 Gly HA3 . 16450 1 342 . 1 1 43 43 GLY C C 13 174.543 0.020 . 1 . . . . 43 Gly C . 16450 1 343 . 1 1 43 43 GLY CA C 13 45.479 0.000 . 1 . . . . 43 Gly CA . 16450 1 344 . 1 1 43 43 GLY N N 15 111.274 0.059 . 1 . . . . 43 Gly N . 16450 1 345 . 1 1 44 44 THR H H 1 8.068 0.003 . 1 . . . . 44 Thr H . 16450 1 346 . 1 1 44 44 THR HA H 1 4.377 0.002 . 1 . . . . 44 Thr HA . 16450 1 347 . 1 1 44 44 THR HB H 1 4.266 0.004 . 1 . . . . 44 Thr HB . 16450 1 348 . 1 1 44 44 THR HG21 H 1 1.196 0.008 . 1 . . . . 44 Thr HG21 . 16450 1 349 . 1 1 44 44 THR HG22 H 1 1.196 0.008 . 1 . . . . 44 Thr HG22 . 16450 1 350 . 1 1 44 44 THR HG23 H 1 1.196 0.008 . 1 . . . . 44 Thr HG23 . 16450 1 351 . 1 1 44 44 THR C C 13 175.389 0.000 . 1 . . . . 44 Thr C . 16450 1 352 . 1 1 44 44 THR CA C 13 62.081 0.000 . 1 . . . . 44 Thr CA . 16450 1 353 . 1 1 44 44 THR CB C 13 69.984 0.000 . 1 . . . . 44 Thr CB . 16450 1 354 . 1 1 44 44 THR CG2 C 13 21.758 0.000 . 1 . . . . 44 Thr CG2 . 16450 1 355 . 1 1 44 44 THR N N 15 112.845 0.079 . 1 . . . . 44 Thr N . 16450 1 356 . 1 1 45 45 GLY H H 1 8.488 0.002 . 1 . . . . 45 Gly H . 16450 1 357 . 1 1 45 45 GLY HA2 H 1 3.986 0.000 . 1 . . . . 45 Gly HA2 . 16450 1 358 . 1 1 45 45 GLY HA3 H 1 3.986 0.000 . 1 . . . . 45 Gly HA3 . 16450 1 359 . 1 1 45 45 GLY C C 13 174.172 0.000 . 1 . . . . 45 Gly C . 16450 1 360 . 1 1 45 45 GLY CA C 13 45.430 0.013 . 1 . . . . 45 Gly CA . 16450 1 361 . 1 1 45 45 GLY N N 15 111.122 0.059 . 1 . . . . 45 Gly N . 16450 1 362 . 1 1 46 46 MET H H 1 8.181 0.003 . 1 . . . . 46 Met H . 16450 1 363 . 1 1 46 46 MET HA H 1 4.455 0.004 . 1 . . . . 46 Met HA . 16450 1 364 . 1 1 46 46 MET HB2 H 1 2.058 0.012 . 1 . . . . 46 Met HB2 . 16450 1 365 . 1 1 46 46 MET HB3 H 1 2.058 0.012 . 1 . . . . 46 Met HB3 . 16450 1 366 . 1 1 46 46 MET HG2 H 1 2.565 0.018 . 1 . . . . 46 Met HG2 . 16450 1 367 . 1 1 46 46 MET HG3 H 1 2.565 0.018 . 1 . . . . 46 Met HG3 . 16450 1 368 . 1 1 46 46 MET C C 13 176.189 0.000 . 1 . . . . 46 Met C . 16450 1 369 . 1 1 46 46 MET CA C 13 55.786 0.000 . 1 . . . . 46 Met CA . 16450 1 370 . 1 1 46 46 MET CB C 13 32.863 0.000 . 1 . . . . 46 Met CB . 16450 1 371 . 1 1 46 46 MET CG C 13 31.691 0.000 . 1 . . . . 46 Met CG . 16450 1 372 . 1 1 46 46 MET N N 15 119.200 0.000 . 1 . . . . 46 Met N . 16450 1 373 . 1 1 48 48 GLY H H 1 8.630 0.005 . 1 . . . . 48 Gly H . 16450 1 374 . 1 1 48 48 GLY HA2 H 1 3.958 0.000 . 1 . . . . 48 Gly HA2 . 16450 1 375 . 1 1 48 48 GLY HA3 H 1 3.958 0.000 . 1 . . . . 48 Gly HA3 . 16450 1 376 . 1 1 48 48 GLY C C 13 175.191 0.003 . 1 . . . . 48 Gly C . 16450 1 377 . 1 1 48 48 GLY CA C 13 45.926 0.005 . 1 . . . . 48 Gly CA . 16450 1 378 . 1 1 48 48 GLY N N 15 109.744 0.069 . 1 . . . . 48 Gly N . 16450 1 379 . 1 1 49 49 GLY H H 1 8.426 0.005 . 1 . . . . 49 Gly H . 16450 1 380 . 1 1 49 49 GLY HA2 H 1 3.970 0.000 . 1 . . . . 49 Gly HA2 . 16450 1 381 . 1 1 49 49 GLY HA3 H 1 3.970 0.000 . 1 . . . . 49 Gly HA3 . 16450 1 382 . 1 1 49 49 GLY C C 13 174.576 0.003 . 1 . . . . 49 Gly C . 16450 1 383 . 1 1 49 49 GLY CA C 13 45.473 0.000 . 1 . . . . 49 Gly CA . 16450 1 384 . 1 1 49 49 GLY N N 15 109.279 0.065 . 1 . . . . 49 Gly N . 16450 1 385 . 1 1 50 50 GLU H H 1 8.133 0.005 . 1 . . . . 50 Glu H . 16450 1 386 . 1 1 50 50 GLU HA H 1 4.385 0.006 . 1 . . . . 50 Glu HA . 16450 1 387 . 1 1 50 50 GLU HB2 H 1 1.848 0.002 . 1 . . . . 50 Glu HB2 . 16450 1 388 . 1 1 50 50 GLU HB3 H 1 1.848 0.002 . 1 . . . . 50 Glu HB3 . 16450 1 389 . 1 1 50 50 GLU HG2 H 1 2.262 0.000 . 1 . . . . 50 Glu HG2 . 16450 1 390 . 1 1 50 50 GLU HG3 H 1 2.262 0.000 . 1 . . . . 50 Glu HG3 . 16450 1 391 . 1 1 50 50 GLU C C 13 176.081 0.000 . 1 . . . . 50 Glu C . 16450 1 392 . 1 1 50 50 GLU CA C 13 56.273 0.000 . 1 . . . . 50 Glu CA . 16450 1 393 . 1 1 50 50 GLU CB C 13 30.759 0.000 . 1 . . . . 50 Glu CB . 16450 1 394 . 1 1 50 50 GLU N N 15 120.320 0.000 . 1 . . . . 50 Glu N . 16450 1 395 . 1 1 51 51 HIS H H 1 8.402 0.005 . 1 . . . . 51 His H . 16450 1 396 . 1 1 51 51 HIS HA H 1 4.454 0.001 . 1 . . . . 51 His HA . 16450 1 397 . 1 1 51 51 HIS HB2 H 1 3.206 0.006 . 1 . . . . 51 His HB2 . 16450 1 398 . 1 1 51 51 HIS HB3 H 1 3.206 0.006 . 1 . . . . 51 His HB3 . 16450 1 399 . 1 1 51 51 HIS C C 13 177.183 0.000 . 1 . . . . 51 His C . 16450 1 400 . 1 1 51 51 HIS CA C 13 56.585 0.000 . 1 . . . . 51 His CA . 16450 1 401 . 1 1 51 51 HIS CB C 13 29.580 0.000 . 1 . . . . 51 His CB . 16450 1 402 . 1 1 51 51 HIS N N 15 122.810 0.000 . 1 . . . . 51 His N . 16450 1 403 . 1 1 55 55 PRO HA H 1 4.432 0.003 . 1 . . . . 55 Pro HA . 16450 1 404 . 1 1 55 55 PRO HB2 H 1 2.303 0.002 . 1 . . . . 55 Pro HB2 . 16450 1 405 . 1 1 55 55 PRO HB3 H 1 2.303 0.002 . 1 . . . . 55 Pro HB3 . 16450 1 406 . 1 1 55 55 PRO HD2 H 1 3.904 0.005 . 1 . . . . 55 Pro HD2 . 16450 1 407 . 1 1 55 55 PRO HD3 H 1 3.904 0.005 . 1 . . . . 55 Pro HD3 . 16450 1 408 . 1 1 55 55 PRO HG2 H 1 1.975 0.012 . 1 . . . . 55 Pro HG2 . 16450 1 409 . 1 1 55 55 PRO HG3 H 1 1.975 0.012 . 1 . . . . 55 Pro HG3 . 16450 1 410 . 1 1 55 55 PRO C C 13 176.705 0.000 . 1 . . . . 55 Pro C . 16450 1 411 . 1 1 55 55 PRO CA C 13 63.336 0.000 . 1 . . . . 55 Pro CA . 16450 1 412 . 1 1 55 55 PRO CB C 13 32.010 0.017 . 1 . . . . 55 Pro CB . 16450 1 413 . 1 1 55 55 PRO CD C 13 50.273 0.000 . 1 . . . . 55 Pro CD . 16450 1 414 . 1 1 55 55 PRO CG C 13 27.102 0.000 . 1 . . . . 55 Pro CG . 16450 1 415 . 1 1 56 56 HIS H H 1 8.394 0.002 . 1 . . . . 56 His H . 16450 1 416 . 1 1 56 56 HIS C C 13 176.280 0.000 . 1 . . . . 56 His C . 16450 1 417 . 1 1 56 56 HIS CA C 13 56.215 0.000 . 1 . . . . 56 His CA . 16450 1 418 . 1 1 56 56 HIS CB C 13 29.609 0.000 . 1 . . . . 56 His CB . 16450 1 419 . 1 1 56 56 HIS N N 15 119.200 0.000 . 1 . . . . 56 His N . 16450 1 420 . 1 1 59 59 PRO HA H 1 4.382 0.009 . 1 . . . . 59 Pro HA . 16450 1 421 . 1 1 59 59 PRO HB2 H 1 2.302 0.003 . 1 . . . . 59 Pro HB2 . 16450 1 422 . 1 1 59 59 PRO HB3 H 1 2.302 0.004 . 1 . . . . 59 Pro HB3 . 16450 1 423 . 1 1 59 59 PRO HD2 H 1 3.707 0.001 . 1 . . . . 59 Pro HD2 . 16450 1 424 . 1 1 59 59 PRO HD3 H 1 3.707 0.001 . 1 . . . . 59 Pro HD3 . 16450 1 425 . 1 1 59 59 PRO HG2 H 1 2.008 0.000 . 1 . . . . 59 Pro HG2 . 16450 1 426 . 1 1 59 59 PRO HG3 H 1 2.008 0.000 . 1 . . . . 59 Pro HG3 . 16450 1 427 . 1 1 59 59 PRO C C 13 177.491 0.000 . 1 . . . . 59 Pro C . 16450 1 428 . 1 1 59 59 PRO CA C 13 63.714 0.000 . 1 . . . . 59 Pro CA . 16450 1 429 . 1 1 59 59 PRO CB C 13 31.998 0.002 . 1 . . . . 59 Pro CB . 16450 1 430 . 1 1 59 59 PRO CD C 13 50.711 0.000 . 1 . . . . 59 Pro CD . 16450 1 431 . 1 1 60 60 GLY H H 1 8.479 0.004 . 1 . . . . 60 Gly H . 16450 1 432 . 1 1 60 60 GLY HA2 H 1 3.949 0.000 . 1 . . . . 60 Gly HA2 . 16450 1 433 . 1 1 60 60 GLY HA3 H 1 3.949 0.000 . 1 . . . . 60 Gly HA3 . 16450 1 434 . 1 1 60 60 GLY C C 13 173.743 0.022 . 1 . . . . 60 Gly C . 16450 1 435 . 1 1 60 60 GLY CA C 13 45.421 0.003 . 1 . . . . 60 Gly CA . 16450 1 436 . 1 1 60 60 GLY N N 15 109.339 0.121 . 1 . . . . 60 Gly N . 16450 1 437 . 1 1 61 61 VAL H H 1 7.879 0.005 . 1 . . . . 61 Val H . 16450 1 438 . 1 1 61 61 VAL HA H 1 4.106 0.009 . 1 . . . . 61 Val HA . 16450 1 439 . 1 1 61 61 VAL HB H 1 2.073 0.020 . 1 . . . . 61 Val HB . 16450 1 440 . 1 1 61 61 VAL HG11 H 1 0.912 0.008 . 1 . . . . 61 Val HG11 . 16450 1 441 . 1 1 61 61 VAL HG12 H 1 0.912 0.008 . 1 . . . . 61 Val HG12 . 16450 1 442 . 1 1 61 61 VAL HG13 H 1 0.912 0.008 . 1 . . . . 61 Val HG13 . 16450 1 443 . 1 1 61 61 VAL HG21 H 1 0.912 0.011 . 1 . . . . 61 Val HG21 . 16450 1 444 . 1 1 61 61 VAL HG22 H 1 0.912 0.011 . 1 . . . . 61 Val HG22 . 16450 1 445 . 1 1 61 61 VAL HG23 H 1 0.912 0.011 . 1 . . . . 61 Val HG23 . 16450 1 446 . 1 1 61 61 VAL C C 13 176.172 0.000 . 1 . . . . 61 Val C . 16450 1 447 . 1 1 61 61 VAL CA C 13 62.518 0.000 . 1 . . . . 61 Val CA . 16450 1 448 . 1 1 61 61 VAL CB C 13 32.629 0.000 . 1 . . . . 61 Val CB . 16450 1 449 . 1 1 61 61 VAL CG1 C 13 20.930 0.000 . 1 . . . . 61 Val CG1 . 16450 1 450 . 1 1 61 61 VAL CG2 C 13 20.930 0.000 . 1 . . . . 61 Val CG2 . 16450 1 451 . 1 1 61 61 VAL N N 15 119.242 0.025 . 1 . . . . 61 Val N . 16450 1 452 . 1 1 62 62 LEU H H 1 8.306 0.003 . 1 . . . . 62 Leu H . 16450 1 453 . 1 1 62 62 LEU HA H 1 4.354 0.011 . 1 . . . . 62 Leu HA . 16450 1 454 . 1 1 62 62 LEU HB2 H 1 1.571 0.005 . 1 . . . . 62 Leu HB2 . 16450 1 455 . 1 1 62 62 LEU HB3 H 1 1.571 0.005 . 1 . . . . 62 Leu HB3 . 16450 1 456 . 1 1 62 62 LEU HD11 H 1 0.910 0.005 . 1 . . . . 62 Leu HD11 . 16450 1 457 . 1 1 62 62 LEU HD12 H 1 0.910 0.005 . 1 . . . . 62 Leu HD12 . 16450 1 458 . 1 1 62 62 LEU HD13 H 1 0.910 0.005 . 1 . . . . 62 Leu HD13 . 16450 1 459 . 1 1 62 62 LEU HD21 H 1 0.910 0.005 . 1 . . . . 62 Leu HD21 . 16450 1 460 . 1 1 62 62 LEU HD22 H 1 0.910 0.005 . 1 . . . . 62 Leu HD22 . 16450 1 461 . 1 1 62 62 LEU HD23 H 1 0.910 0.005 . 1 . . . . 62 Leu HD23 . 16450 1 462 . 1 1 62 62 LEU C C 13 176.925 0.016 . 1 . . . . 62 Leu C . 16450 1 463 . 1 1 62 62 LEU CA C 13 55.211 0.015 . 1 . . . . 62 Leu CA . 16450 1 464 . 1 1 62 62 LEU CB C 13 42.381 0.000 . 1 . . . . 62 Leu CB . 16450 1 465 . 1 1 62 62 LEU CD1 C 13 24.102 0.000 . 1 . . . . 62 Leu CD1 . 16450 1 466 . 1 1 62 62 LEU CD2 C 13 24.102 0.000 . 1 . . . . 62 Leu CD2 . 16450 1 467 . 1 1 62 62 LEU N N 15 125.399 0.052 . 1 . . . . 62 Leu N . 16450 1 468 . 1 1 63 63 ASN H H 1 8.408 0.004 . 1 . . . . 63 Asn H . 16450 1 469 . 1 1 63 63 ASN HA H 1 4.717 0.005 . 1 . . . . 63 Asn HA . 16450 1 470 . 1 1 63 63 ASN HB2 H 1 2.818 0.010 . 1 . . . . 63 Asn HB2 . 16450 1 471 . 1 1 63 63 ASN HB3 H 1 2.818 0.010 . 1 . . . . 63 Asn HB3 . 16450 1 472 . 1 1 63 63 ASN C C 13 175.158 0.003 . 1 . . . . 63 Asn C . 16450 1 473 . 1 1 63 63 ASN CA C 13 53.205 0.004 . 1 . . . . 63 Asn CA . 16450 1 474 . 1 1 63 63 ASN CB C 13 38.762 0.028 . 1 . . . . 63 Asn CB . 16450 1 475 . 1 1 63 63 ASN N N 15 119.521 0.055 . 1 . . . . 63 Asn N . 16450 1 476 . 1 1 64 64 ARG H H 1 8.410 0.008 . 1 . . . . 64 Arg H . 16450 1 477 . 1 1 64 64 ARG HA H 1 4.523 0.015 . 1 . . . . 64 Arg HA . 16450 1 478 . 1 1 64 64 ARG HB2 H 1 2.043 0.014 . 1 . . . . 64 Arg HB2 . 16450 1 479 . 1 1 64 64 ARG HB3 H 1 2.039 0.011 . 1 . . . . 64 Arg HB3 . 16450 1 480 . 1 1 64 64 ARG C C 13 175.156 0.000 . 1 . . . . 64 Arg C . 16450 1 481 . 1 1 64 64 ARG CA C 13 56.297 0.010 . 1 . . . . 64 Arg CA . 16450 1 482 . 1 1 64 64 ARG CB C 13 30.155 0.000 . 1 . . . . 64 Arg CB . 16450 1 483 . 1 1 64 64 ARG N N 15 120.538 0.057 . 1 . . . . 64 Arg N . 16450 1 484 . 1 1 65 65 SER H H 1 8.406 0.002 . 1 . . . . 65 Ser H . 16450 1 485 . 1 1 65 65 SER HA H 1 4.478 0.004 . 1 . . . . 65 Ser HA . 16450 1 486 . 1 1 65 65 SER HB2 H 1 3.909 0.003 . 1 . . . . 65 Ser HB2 . 16450 1 487 . 1 1 65 65 SER HB3 H 1 3.909 0.003 . 1 . . . . 65 Ser HB3 . 16450 1 488 . 1 1 65 65 SER C C 13 175.090 0.013 . 1 . . . . 65 Ser C . 16450 1 489 . 1 1 65 65 SER CA C 13 58.687 0.001 . 1 . . . . 65 Ser CA . 16450 1 490 . 1 1 65 65 SER CB C 13 63.992 0.016 . 1 . . . . 65 Ser CB . 16450 1 491 . 1 1 65 65 SER N N 15 117.053 0.054 . 1 . . . . 65 Ser N . 16450 1 492 . 1 1 66 66 GLY H H 1 8.449 0.003 . 1 . . . . 66 Gly H . 16450 1 493 . 1 1 66 66 GLY HA2 H 1 4.005 0.000 . 1 . . . . 66 Gly HA2 . 16450 1 494 . 1 1 66 66 GLY HA3 H 1 4.005 0.000 . 1 . . . . 66 Gly HA3 . 16450 1 495 . 1 1 66 66 GLY C C 13 174.207 0.000 . 1 . . . . 66 Gly C . 16450 1 496 . 1 1 66 66 GLY CA C 13 45.423 0.000 . 1 . . . . 66 Gly CA . 16450 1 497 . 1 1 66 66 GLY N N 15 111.211 0.079 . 1 . . . . 66 Gly N . 16450 1 498 . 1 1 67 67 SER H H 1 8.244 0.006 . 1 . . . . 67 Ser H . 16450 1 499 . 1 1 67 67 SER HA H 1 4.332 0.000 . 1 . . . . 67 Ser HA . 16450 1 500 . 1 1 67 67 SER HB2 H 1 3.889 0.000 . 1 . . . . 67 Ser HB2 . 16450 1 501 . 1 1 67 67 SER HB3 H 1 3.889 0.000 . 1 . . . . 67 Ser HB3 . 16450 1 502 . 1 1 67 67 SER C C 13 174.600 0.000 . 1 . . . . 67 Ser C . 16450 1 503 . 1 1 67 67 SER CA C 13 58.338 0.000 . 1 . . . . 67 Ser CA . 16450 1 504 . 1 1 67 67 SER CB C 13 64.130 0.000 . 1 . . . . 67 Ser CB . 16450 1 505 . 1 1 67 67 SER N N 15 115.702 0.073 . 1 . . . . 67 Ser N . 16450 1 506 . 1 1 68 68 SER H H 1 8.453 0.004 . 1 . . . . 68 Ser H . 16450 1 507 . 1 1 68 68 SER HA H 1 4.565 0.001 . 1 . . . . 68 Ser HA . 16450 1 508 . 1 1 68 68 SER HB2 H 1 3.902 0.001 . 1 . . . . 68 Ser HB2 . 16450 1 509 . 1 1 68 68 SER HB3 H 1 3.902 0.001 . 1 . . . . 68 Ser HB3 . 16450 1 510 . 1 1 68 68 SER C C 13 174.584 0.000 . 1 . . . . 68 Ser C . 16450 1 511 . 1 1 68 68 SER CA C 13 58.489 0.000 . 1 . . . . 68 Ser CA . 16450 1 512 . 1 1 68 68 SER CB C 13 63.953 0.000 . 1 . . . . 68 Ser CB . 16450 1 513 . 1 1 68 68 SER N N 15 117.997 0.057 . 1 . . . . 68 Ser N . 16450 1 514 . 1 1 69 69 SER H H 1 8.417 0.003 . 1 . . . . 69 Ser H . 16450 1 515 . 1 1 69 69 SER HA H 1 4.536 0.012 . 1 . . . . 69 Ser HA . 16450 1 516 . 1 1 69 69 SER HB2 H 1 3.889 0.005 . 1 . . . . 69 Ser HB2 . 16450 1 517 . 1 1 69 69 SER HB3 H 1 3.889 0.005 . 1 . . . . 69 Ser HB3 . 16450 1 518 . 1 1 69 69 SER C C 13 174.680 0.000 . 1 . . . . 69 Ser C . 16450 1 519 . 1 1 69 69 SER CA C 13 58.685 0.046 . 1 . . . . 69 Ser CA . 16450 1 520 . 1 1 69 69 SER CB C 13 64.057 0.065 . 1 . . . . 69 Ser CB . 16450 1 521 . 1 1 69 69 SER N N 15 117.911 0.103 . 1 . . . . 69 Ser N . 16450 1 522 . 1 1 70 70 SER H H 1 8.392 0.005 . 1 . . . . 70 Ser H . 16450 1 523 . 1 1 70 70 SER HA H 1 4.537 0.006 . 1 . . . . 70 Ser HA . 16450 1 524 . 1 1 70 70 SER HB2 H 1 3.885 0.003 . 1 . . . . 70 Ser HB2 . 16450 1 525 . 1 1 70 70 SER HB3 H 1 3.885 0.003 . 1 . . . . 70 Ser HB3 . 16450 1 526 . 1 1 70 70 SER C C 13 174.696 0.000 . 1 . . . . 70 Ser C . 16450 1 527 . 1 1 70 70 SER CA C 13 58.717 0.000 . 1 . . . . 70 Ser CA . 16450 1 528 . 1 1 70 70 SER CB C 13 64.120 0.000 . 1 . . . . 70 Ser CB . 16450 1 529 . 1 1 70 70 SER N N 15 117.884 0.054 . 1 . . . . 70 Ser N . 16450 1 530 . 1 1 71 71 GLU H H 1 8.422 0.004 . 1 . . . . 71 Glu H . 16450 1 531 . 1 1 71 71 GLU HA H 1 4.384 0.020 . 1 . . . . 71 Glu HA . 16450 1 532 . 1 1 71 71 GLU HB2 H 1 1.854 0.015 . 1 . . . . 71 Glu HB2 . 16450 1 533 . 1 1 71 71 GLU HB3 H 1 1.854 0.015 . 1 . . . . 71 Glu HB3 . 16450 1 534 . 1 1 71 71 GLU HG2 H 1 2.259 0.004 . 1 . . . . 71 Glu HG2 . 16450 1 535 . 1 1 71 71 GLU HG3 H 1 2.259 0.004 . 1 . . . . 71 Glu HG3 . 16450 1 536 . 1 1 71 71 GLU C C 13 176.184 0.000 . 1 . . . . 71 Glu C . 16450 1 537 . 1 1 71 71 GLU CA C 13 56.472 0.000 . 1 . . . . 71 Glu CA . 16450 1 538 . 1 1 71 71 GLU CB C 13 30.039 0.000 . 1 . . . . 71 Glu CB . 16450 1 539 . 1 1 71 71 GLU CG C 13 33.172 0.000 . 1 . . . . 71 Glu CG . 16450 1 540 . 1 1 71 71 GLU N N 15 122.302 0.055 . 1 . . . . 71 Glu N . 16450 1 541 . 1 1 72 72 ASP H H 1 8.240 0.003 . 1 . . . . 72 Asp H . 16450 1 542 . 1 1 72 72 ASP HA H 1 4.645 0.003 . 1 . . . . 72 Asp HA . 16450 1 543 . 1 1 72 72 ASP HB2 H 1 2.687 0.012 . 1 . . . . 72 Asp HB2 . 16450 1 544 . 1 1 72 72 ASP HB3 H 1 2.687 0.012 . 1 . . . . 72 Asp HB3 . 16450 1 545 . 1 1 72 72 ASP C C 13 176.139 0.003 . 1 . . . . 72 Asp C . 16450 1 546 . 1 1 72 72 ASP CA C 13 54.515 0.000 . 1 . . . . 72 Asp CA . 16450 1 547 . 1 1 72 72 ASP CB C 13 41.537 0.000 . 1 . . . . 72 Asp CB . 16450 1 548 . 1 1 72 72 ASP N N 15 121.041 0.054 . 1 . . . . 72 Asp N . 16450 1 549 . 1 1 73 73 ASP H H 1 8.263 0.004 . 1 . . . . 73 Asp H . 16450 1 550 . 1 1 73 73 ASP HA H 1 4.606 0.016 . 1 . . . . 73 Asp HA . 16450 1 551 . 1 1 73 73 ASP HB2 H 1 2.743 0.004 . 1 . . . . 73 Asp HB2 . 16450 1 552 . 1 1 73 73 ASP HB3 H 1 2.743 0.004 . 1 . . . . 73 Asp HB3 . 16450 1 553 . 1 1 73 73 ASP C C 13 177.306 0.002 . 1 . . . . 73 Asp C . 16450 1 554 . 1 1 73 73 ASP CA C 13 54.691 0.000 . 1 . . . . 73 Asp CA . 16450 1 555 . 1 1 73 73 ASP CB C 13 41.056 0.000 . 1 . . . . 73 Asp CB . 16450 1 556 . 1 1 73 73 ASP N N 15 122.177 0.103 . 1 . . . . 73 Asp N . 16450 1 557 . 1 1 74 74 GLY H H 1 8.539 0.003 . 1 . . . . 74 Gly H . 16450 1 558 . 1 1 74 74 GLY HA2 H 1 3.971 0.000 . 1 . . . . 74 Gly HA2 . 16450 1 559 . 1 1 74 74 GLY HA3 H 1 3.971 0.000 . 1 . . . . 74 Gly HA3 . 16450 1 560 . 1 1 74 74 GLY C C 13 175.015 0.007 . 1 . . . . 74 Gly C . 16450 1 561 . 1 1 74 74 GLY CA C 13 45.813 0.000 . 1 . . . . 74 Gly CA . 16450 1 562 . 1 1 74 74 GLY N N 15 109.251 0.062 . 1 . . . . 74 Gly N . 16450 1 563 . 1 1 75 75 GLN H H 1 8.404 0.006 . 1 . . . . 75 Gln H . 16450 1 564 . 1 1 75 75 GLN HA H 1 4.398 0.014 . 1 . . . . 75 Gln HA . 16450 1 565 . 1 1 75 75 GLN HB2 H 1 2.096 0.024 . 1 . . . . 75 Gln HB2 . 16450 1 566 . 1 1 75 75 GLN HB3 H 1 2.096 0.024 . 1 . . . . 75 Gln HB3 . 16450 1 567 . 1 1 75 75 GLN HG2 H 1 2.351 0.016 . 1 . . . . 75 Gln HG2 . 16450 1 568 . 1 1 75 75 GLN HG3 H 1 2.351 0.015 . 1 . . . . 75 Gln HG3 . 16450 1 569 . 1 1 75 75 GLN C C 13 177.017 0.000 . 1 . . . . 75 Gln C . 16450 1 570 . 1 1 75 75 GLN CA C 13 56.160 0.006 . 1 . . . . 75 Gln CA . 16450 1 571 . 1 1 75 75 GLN CB C 13 29.371 0.000 . 1 . . . . 75 Gln CB . 16450 1 572 . 1 1 75 75 GLN CG C 13 32.344 0.000 . 1 . . . . 75 Gln CG . 16450 1 573 . 1 1 75 75 GLN N N 15 119.672 0.189 . 1 . . . . 75 Gln N . 16450 1 574 . 1 1 76 76 GLY H H 1 8.347 0.003 . 1 . . . . 76 Gly H . 16450 1 575 . 1 1 76 76 GLY HA2 H 1 3.972 0.000 . 1 . . . . 76 Gly HA2 . 16450 1 576 . 1 1 76 76 GLY HA3 H 1 3.972 0.000 . 1 . . . . 76 Gly HA3 . 16450 1 577 . 1 1 76 76 GLY C C 13 174.358 0.000 . 1 . . . . 76 Gly C . 16450 1 578 . 1 1 76 76 GLY CA C 13 45.188 0.000 . 1 . . . . 76 Gly CA . 16450 1 579 . 1 1 76 76 GLY N N 15 108.994 0.065 . 1 . . . . 76 Gly N . 16450 1 580 . 1 1 77 77 GLY H H 1 8.492 0.003 . 1 . . . . 77 Gly H . 16450 1 581 . 1 1 77 77 GLY HA2 H 1 3.960 0.000 . 1 . . . . 77 Gly HA2 . 16450 1 582 . 1 1 77 77 GLY HA3 H 1 3.960 0.000 . 1 . . . . 77 Gly HA3 . 16450 1 583 . 1 1 77 77 GLY C C 13 174.669 0.000 . 1 . . . . 77 Gly C . 16450 1 584 . 1 1 77 77 GLY CA C 13 45.331 0.000 . 1 . . . . 77 Gly CA . 16450 1 585 . 1 1 77 77 GLY N N 15 110.304 0.123 . 1 . . . . 77 Gly N . 16450 1 586 . 1 1 78 78 ARG H H 1 8.132 0.001 . 1 . . . . 78 Arg H . 16450 1 587 . 1 1 78 78 ARG HA H 1 4.338 0.005 . 1 . . . . 78 Arg HA . 16450 1 588 . 1 1 78 78 ARG HB2 H 1 1.760 0.001 . 1 . . . . 78 Arg HB2 . 16450 1 589 . 1 1 78 78 ARG HB3 H 1 1.760 0.001 . 1 . . . . 78 Arg HB3 . 16450 1 590 . 1 1 78 78 ARG HD2 H 1 3.202 0.006 . 1 . . . . 78 Arg HD2 . 16450 1 591 . 1 1 78 78 ARG HD3 H 1 3.202 0.006 . 1 . . . . 78 Arg HD3 . 16450 1 592 . 1 1 78 78 ARG HG2 H 1 1.625 0.003 . 1 . . . . 78 Arg HG2 . 16450 1 593 . 1 1 78 78 ARG HG3 H 1 1.625 0.003 . 1 . . . . 78 Arg HG3 . 16450 1 594 . 1 1 78 78 ARG C C 13 176.633 0.005 . 1 . . . . 78 Arg C . 16450 1 595 . 1 1 78 78 ARG CA C 13 57.304 0.000 . 1 . . . . 78 Arg CA . 16450 1 596 . 1 1 78 78 ARG CB C 13 30.749 0.000 . 1 . . . . 78 Arg CB . 16450 1 597 . 1 1 78 78 ARG CD C 13 42.102 0.000 . 1 . . . . 78 Arg CD . 16450 1 598 . 1 1 78 78 ARG CG C 13 27.102 0.000 . 1 . . . . 78 Arg CG . 16450 1 599 . 1 1 78 78 ARG N N 15 120.868 0.036 . 1 . . . . 78 Arg N . 16450 1 600 . 1 1 79 79 ARG H H 1 8.323 0.003 . 1 . . . . 79 Arg H . 16450 1 601 . 1 1 79 79 ARG HA H 1 4.259 0.003 . 1 . . . . 79 Arg HA . 16450 1 602 . 1 1 79 79 ARG HB2 H 1 1.933 0.007 . 1 . . . . 79 Arg HB2 . 16450 1 603 . 1 1 79 79 ARG HB3 H 1 1.933 0.007 . 1 . . . . 79 Arg HB3 . 16450 1 604 . 1 1 79 79 ARG C C 13 176.260 0.007 . 1 . . . . 79 Arg C . 16450 1 605 . 1 1 79 79 ARG CA C 13 57.287 0.031 . 1 . . . . 79 Arg CA . 16450 1 606 . 1 1 79 79 ARG CB C 13 30.133 0.250 . 1 . . . . 79 Arg CB . 16450 1 607 . 1 1 79 79 ARG N N 15 121.460 0.053 . 1 . . . . 79 Arg N . 16450 1 608 . 1 1 80 80 LYS H H 1 8.295 0.002 . 1 . . . . 80 Lys H . 16450 1 609 . 1 1 80 80 LYS HA H 1 4.249 0.008 . 1 . . . . 80 Lys HA . 16450 1 610 . 1 1 80 80 LYS HB2 H 1 1.991 0.007 . 1 . . . . 80 Lys HB2 . 16450 1 611 . 1 1 80 80 LYS HB3 H 1 1.991 0.007 . 1 . . . . 80 Lys HB3 . 16450 1 612 . 1 1 80 80 LYS C C 13 176.592 0.000 . 1 . . . . 80 Lys C . 16450 1 613 . 1 1 80 80 LYS CA C 13 56.677 0.000 . 1 . . . . 80 Lys CA . 16450 1 614 . 1 1 80 80 LYS CB C 13 30.180 0.000 . 1 . . . . 80 Lys CB . 16450 1 615 . 1 1 80 80 LYS N N 15 121.431 0.054 . 1 . . . . 80 Lys N . 16450 1 616 . 1 1 81 81 LYS H H 1 8.297 0.006 . 1 . . . . 81 Lys H . 16450 1 617 . 1 1 81 81 LYS HA H 1 4.232 0.002 . 1 . . . . 81 Lys HA . 16450 1 618 . 1 1 81 81 LYS HB2 H 1 1.825 0.005 . 1 . . . . 81 Lys HB2 . 16450 1 619 . 1 1 81 81 LYS HB3 H 1 1.825 0.005 . 1 . . . . 81 Lys HB3 . 16450 1 620 . 1 1 81 81 LYS HD2 H 1 1.676 0.002 . 1 . . . . 81 Lys HD2 . 16450 1 621 . 1 1 81 81 LYS HD3 H 1 1.676 0.002 . 1 . . . . 81 Lys HD3 . 16450 1 622 . 1 1 81 81 LYS HE2 H 1 2.993 0.006 . 1 . . . . 81 Lys HE2 . 16450 1 623 . 1 1 81 81 LYS HE3 H 1 2.993 0.006 . 1 . . . . 81 Lys HE3 . 16450 1 624 . 1 1 81 81 LYS HG2 H 1 1.450 0.006 . 1 . . . . 81 Lys HG2 . 16450 1 625 . 1 1 81 81 LYS HG3 H 1 1.450 0.006 . 1 . . . . 81 Lys HG3 . 16450 1 626 . 1 1 81 81 LYS C C 13 176.604 0.000 . 1 . . . . 81 Lys C . 16450 1 627 . 1 1 81 81 LYS CA C 13 56.839 0.004 . 1 . . . . 81 Lys CA . 16450 1 628 . 1 1 81 81 LYS CB C 13 30.031 0.000 . 1 . . . . 81 Lys CB . 16450 1 629 . 1 1 81 81 LYS CD C 13 30.000 0.000 . 1 . . . . 81 Lys CD . 16450 1 630 . 1 1 81 81 LYS CG C 13 23.516 0.000 . 1 . . . . 81 Lys CG . 16450 1 631 . 1 1 81 81 LYS N N 15 122.182 0.059 . 1 . . . . 81 Lys N . 16450 1 632 . 1 1 82 82 GLY H H 1 8.539 0.002 . 1 . . . . 82 Gly H . 16450 1 633 . 1 1 82 82 GLY HA2 H 1 3.972 0.000 . 1 . . . . 82 Gly HA2 . 16450 1 634 . 1 1 82 82 GLY HA3 H 1 3.972 0.000 . 1 . . . . 82 Gly HA3 . 16450 1 635 . 1 1 82 82 GLY C C 13 174.349 0.005 . 1 . . . . 82 Gly C . 16450 1 636 . 1 1 82 82 GLY CA C 13 45.338 0.000 . 1 . . . . 82 Gly CA . 16450 1 637 . 1 1 82 82 GLY N N 15 109.537 0.088 . 1 . . . . 82 Gly N . 16450 1 638 . 1 1 83 83 MET H H 1 8.456 0.002 . 1 . . . . 83 Met H . 16450 1 639 . 1 1 83 83 MET HA H 1 4.266 0.007 . 1 . . . . 83 Met HA . 16450 1 640 . 1 1 83 83 MET HB2 H 1 2.034 0.057 . 1 . . . . 83 Met HB2 . 16450 1 641 . 1 1 83 83 MET HB3 H 1 2.034 0.057 . 1 . . . . 83 Met HB3 . 16450 1 642 . 1 1 83 83 MET HG2 H 1 2.263 0.001 . 1 . . . . 83 Met HG2 . 16450 1 643 . 1 1 83 83 MET HG3 H 1 2.263 0.001 . 1 . . . . 83 Met HG3 . 16450 1 644 . 1 1 83 83 MET C C 13 176.560 0.000 . 1 . . . . 83 Met C . 16450 1 645 . 1 1 83 83 MET CA C 13 56.004 0.000 . 1 . . . . 83 Met CA . 16450 1 646 . 1 1 83 83 MET CB C 13 29.984 0.123 . 1 . . . . 83 Met CB . 16450 1 647 . 1 1 83 83 MET N N 15 120.863 0.000 . 1 . . . . 83 Met N . 16450 1 648 . 1 1 84 84 LYS H H 1 8.503 0.006 . 1 . . . . 84 Lys H . 16450 1 649 . 1 1 84 84 LYS HA H 1 4.284 0.002 . 1 . . . . 84 Lys HA . 16450 1 650 . 1 1 84 84 LYS HB2 H 1 1.851 0.001 . 1 . . . . 84 Lys HB2 . 16450 1 651 . 1 1 84 84 LYS HB3 H 1 1.850 0.010 . 1 . . . . 84 Lys HB3 . 16450 1 652 . 1 1 84 84 LYS HD2 H 1 1.679 0.000 . 1 . . . . 84 Lys HD2 . 16450 1 653 . 1 1 84 84 LYS HD3 H 1 1.679 0.000 . 1 . . . . 84 Lys HD3 . 16450 1 654 . 1 1 84 84 LYS HG2 H 1 1.456 0.002 . 1 . . . . 84 Lys HG2 . 16450 1 655 . 1 1 84 84 LYS HG3 H 1 1.456 0.002 . 1 . . . . 84 Lys HG3 . 16450 1 656 . 1 1 84 84 LYS C C 13 176.373 0.002 . 1 . . . . 84 Lys C . 16450 1 657 . 1 1 84 84 LYS CA C 13 56.513 0.015 . 1 . . . . 84 Lys CA . 16450 1 658 . 1 1 84 84 LYS CB C 13 32.948 0.000 . 1 . . . . 84 Lys CB . 16450 1 659 . 1 1 84 84 LYS CG C 13 24.687 0.000 . 1 . . . . 84 Lys CG . 16450 1 660 . 1 1 84 84 LYS N N 15 123.057 0.097 . 1 . . . . 84 Lys N . 16450 1 661 . 1 1 85 85 GLU H H 1 8.345 0.004 . 1 . . . . 85 Glu H . 16450 1 662 . 1 1 85 85 GLU HA H 1 4.246 0.003 . 1 . . . . 85 Glu HA . 16450 1 663 . 1 1 85 85 GLU HB2 H 1 1.967 0.013 . 1 . . . . 85 Glu HB2 . 16450 1 664 . 1 1 85 85 GLU HB3 H 1 1.967 0.013 . 1 . . . . 85 Glu HB3 . 16450 1 665 . 1 1 85 85 GLU HG2 H 1 2.265 0.003 . 1 . . . . 85 Glu HG2 . 16450 1 666 . 1 1 85 85 GLU HG3 H 1 2.263 0.004 . 1 . . . . 85 Glu HG3 . 16450 1 667 . 1 1 85 85 GLU C C 13 176.475 0.001 . 1 . . . . 85 Glu C . 16450 1 668 . 1 1 85 85 GLU CA C 13 56.842 0.000 . 1 . . . . 85 Glu CA . 16450 1 669 . 1 1 85 85 GLU CB C 13 30.267 0.000 . 1 . . . . 85 Glu CB . 16450 1 670 . 1 1 85 85 GLU CG C 13 36.687 0.000 . 1 . . . . 85 Glu CG . 16450 1 671 . 1 1 85 85 GLU N N 15 121.335 0.103 . 1 . . . . 85 Glu N . 16450 1 672 . 1 1 86 86 LYS H H 1 8.267 0.004 . 1 . . . . 86 Lys H . 16450 1 673 . 1 1 86 86 LYS HA H 1 4.302 0.004 . 1 . . . . 86 Lys HA . 16450 1 674 . 1 1 86 86 LYS HB2 H 1 1.851 0.005 . 1 . . . . 86 Lys HB2 . 16450 1 675 . 1 1 86 86 LYS HB3 H 1 1.851 0.005 . 1 . . . . 86 Lys HB3 . 16450 1 676 . 1 1 86 86 LYS HD2 H 1 1.683 0.003 . 1 . . . . 86 Lys HD2 . 16450 1 677 . 1 1 86 86 LYS HD3 H 1 1.683 0.003 . 1 . . . . 86 Lys HD3 . 16450 1 678 . 1 1 86 86 LYS HG2 H 1 1.426 0.006 . 1 . . . . 86 Lys HG2 . 16450 1 679 . 1 1 86 86 LYS HG3 H 1 1.426 0.006 . 1 . . . . 86 Lys HG3 . 16450 1 680 . 1 1 86 86 LYS C C 13 176.712 0.004 . 1 . . . . 86 Lys C . 16450 1 681 . 1 1 86 86 LYS CA C 13 56.657 0.015 . 1 . . . . 86 Lys CA . 16450 1 682 . 1 1 86 86 LYS CB C 13 32.967 0.000 . 1 . . . . 86 Lys CB . 16450 1 683 . 1 1 86 86 LYS CD C 13 28.414 0.000 . 1 . . . . 86 Lys CD . 16450 1 684 . 1 1 86 86 LYS CG C 13 24.687 0.000 . 1 . . . . 86 Lys CG . 16450 1 685 . 1 1 86 86 LYS N N 15 121.951 0.114 . 1 . . . . 86 Lys N . 16450 1 686 . 1 1 87 87 ILE H H 1 8.088 0.004 . 1 . . . . 87 Ile H . 16450 1 687 . 1 1 87 87 ILE HA H 1 4.106 0.002 . 1 . . . . 87 Ile HA . 16450 1 688 . 1 1 87 87 ILE HB H 1 1.879 0.012 . 1 . . . . 87 Ile HB . 16450 1 689 . 1 1 87 87 ILE HG12 H 1 0.897 0.008 . 1 . . . . 87 Ile HG12 . 16450 1 690 . 1 1 87 87 ILE HG13 H 1 0.897 0.008 . 1 . . . . 87 Ile HG13 . 16450 1 691 . 1 1 87 87 ILE HG21 H 1 0.965 0.000 . 1 . . . . 87 Ile HG21 . 16450 1 692 . 1 1 87 87 ILE HG22 H 1 0.965 0.000 . 1 . . . . 87 Ile HG22 . 16450 1 693 . 1 1 87 87 ILE HG23 H 1 0.965 0.000 . 1 . . . . 87 Ile HG23 . 16450 1 694 . 1 1 87 87 ILE C C 13 176.325 0.006 . 1 . . . . 87 Ile C . 16450 1 695 . 1 1 87 87 ILE CA C 13 61.612 0.017 . 1 . . . . 87 Ile CA . 16450 1 696 . 1 1 87 87 ILE CB C 13 38.566 0.021 . 1 . . . . 87 Ile CB . 16450 1 697 . 1 1 87 87 ILE CG2 C 13 20.000 0.000 . 1 . . . . 87 Ile CG2 . 16450 1 698 . 1 1 87 87 ILE N N 15 122.061 0.054 . 1 . . . . 87 Ile N . 16450 1 699 . 1 1 88 88 LYS H H 1 8.311 0.002 . 1 . . . . 88 Lys H . 16450 1 700 . 1 1 88 88 LYS HA H 1 4.296 0.003 . 1 . . . . 88 Lys HA . 16450 1 701 . 1 1 88 88 LYS HB2 H 1 1.707 0.021 . 1 . . . . 88 Lys HB2 . 16450 1 702 . 1 1 88 88 LYS HB3 H 1 1.716 0.017 . 1 . . . . 88 Lys HB3 . 16450 1 703 . 1 1 88 88 LYS HD3 H 1 1.443 0.005 . 1 . . . . 88 Lys HD3 . 16450 1 704 . 1 1 88 88 LYS HE2 H 1 2.995 0.005 . 1 . . . . 88 Lys HE2 . 16450 1 705 . 1 1 88 88 LYS HE3 H 1 2.995 0.005 . 1 . . . . 88 Lys HE3 . 16450 1 706 . 1 1 88 88 LYS HG2 H 1 1.443 0.004 . 1 . . . . 88 Lys HG2 . 16450 1 707 . 1 1 88 88 LYS HG3 H 1 1.444 0.000 . 1 . . . . 88 Lys HG3 . 16450 1 708 . 1 1 88 88 LYS C C 13 176.432 0.000 . 1 . . . . 88 Lys C . 16450 1 709 . 1 1 88 88 LYS CA C 13 56.752 0.071 . 1 . . . . 88 Lys CA . 16450 1 710 . 1 1 88 88 LYS CB C 13 32.943 0.019 . 1 . . . . 88 Lys CB . 16450 1 711 . 1 1 88 88 LYS CG C 13 24.753 0.065 . 1 . . . . 88 Lys CG . 16450 1 712 . 1 1 88 88 LYS N N 15 125.124 0.050 . 1 . . . . 88 Lys N . 16450 1 713 . 1 1 89 89 GLU H H 1 8.402 0.003 . 1 . . . . 89 Glu H . 16450 1 714 . 1 1 89 89 GLU HA H 1 4.450 0.015 . 1 . . . . 89 Glu HA . 16450 1 715 . 1 1 89 89 GLU HB2 H 1 2.113 0.005 . 1 . . . . 89 Glu HB2 . 16450 1 716 . 1 1 89 89 GLU HB3 H 1 2.113 0.005 . 1 . . . . 89 Glu HB3 . 16450 1 717 . 1 1 89 89 GLU HG2 H 1 2.372 0.001 . 1 . . . . 89 Glu HG2 . 16450 1 718 . 1 1 89 89 GLU HG3 H 1 2.372 0.001 . 1 . . . . 89 Glu HG3 . 16450 1 719 . 1 1 89 89 GLU C C 13 176.068 0.026 . 1 . . . . 89 Glu C . 16450 1 720 . 1 1 89 89 GLU CA C 13 56.207 0.002 . 1 . . . . 89 Glu CA . 16450 1 721 . 1 1 89 89 GLU CB C 13 29.211 0.000 . 1 . . . . 89 Glu CB . 16450 1 722 . 1 1 89 89 GLU CG C 13 32.930 0.000 . 1 . . . . 89 Glu CG . 16450 1 723 . 1 1 89 89 GLU N N 15 121.205 0.056 . 1 . . . . 89 Glu N . 16450 1 724 . 1 1 90 90 ARG H H 1 8.391 0.002 . 1 . . . . 90 Arg H . 16450 1 725 . 1 1 90 90 ARG HA H 1 4.302 0.016 . 1 . . . . 90 Arg HA . 16450 1 726 . 1 1 90 90 ARG HB2 H 1 1.778 0.015 . 1 . . . . 90 Arg HB2 . 16450 1 727 . 1 1 90 90 ARG HB3 H 1 1.778 0.015 . 1 . . . . 90 Arg HB3 . 16450 1 728 . 1 1 90 90 ARG HD2 H 1 3.185 0.015 . 1 . . . . 90 Arg HD2 . 16450 1 729 . 1 1 90 90 ARG HD3 H 1 3.189 0.015 . 1 . . . . 90 Arg HD3 . 16450 1 730 . 1 1 90 90 ARG HG2 H 1 1.678 0.000 . 1 . . . . 90 Arg HG2 . 16450 1 731 . 1 1 90 90 ARG HG3 H 1 1.678 0.000 . 1 . . . . 90 Arg HG3 . 16450 1 732 . 1 1 90 90 ARG C C 13 175.911 0.000 . 1 . . . . 90 Arg C . 16450 1 733 . 1 1 90 90 ARG CA C 13 56.082 0.000 . 1 . . . . 90 Arg CA . 16450 1 734 . 1 1 90 90 ARG CB C 13 30.750 0.000 . 1 . . . . 90 Arg CB . 16450 1 735 . 1 1 90 90 ARG CD C 13 42.930 0.000 . 1 . . . . 90 Arg CD . 16450 1 736 . 1 1 90 90 ARG N N 15 122.802 0.049 . 1 . . . . 90 Arg N . 16450 1 737 . 1 1 91 91 ILE H H 1 8.209 0.004 . 1 . . . . 91 Ile H . 16450 1 738 . 1 1 91 91 ILE HA H 1 4.482 0.015 . 1 . . . . 91 Ile HA . 16450 1 739 . 1 1 91 91 ILE HB H 1 1.878 0.007 . 1 . . . . 91 Ile HB . 16450 1 740 . 1 1 91 91 ILE HD11 H 1 0.899 0.000 . 1 . . . . 91 Ile HD11 . 16450 1 741 . 1 1 91 91 ILE HD12 H 1 0.899 0.000 . 1 . . . . 91 Ile HD12 . 16450 1 742 . 1 1 91 91 ILE HD13 H 1 0.899 0.000 . 1 . . . . 91 Ile HD13 . 16450 1 743 . 1 1 91 91 ILE HG12 H 1 0.947 0.003 . 1 . . . . 91 Ile HG12 . 16450 1 744 . 1 1 91 91 ILE HG13 H 1 0.948 0.004 . 1 . . . . 91 Ile HG13 . 16450 1 745 . 1 1 91 91 ILE C C 13 174.580 0.000 . 1 . . . . 91 Ile C . 16450 1 746 . 1 1 91 91 ILE CA C 13 58.668 0.000 . 1 . . . . 91 Ile CA . 16450 1 747 . 1 1 91 91 ILE CB C 13 38.674 0.006 . 1 . . . . 91 Ile CB . 16450 1 748 . 1 1 91 91 ILE CD1 C 13 12.730 0.000 . 1 . . . . 91 Ile CD1 . 16450 1 749 . 1 1 91 91 ILE CG2 C 13 16.730 0.000 . 1 . . . . 91 Ile CG2 . 16450 1 750 . 1 1 91 91 ILE N N 15 124.029 0.030 . 1 . . . . 91 Ile N . 16450 1 751 . 1 1 92 92 PRO HA H 1 4.323 0.000 . 1 . . . . 92 Pro HA . 16450 1 752 . 1 1 92 92 PRO HB2 H 1 2.358 0.000 . 1 . . . . 92 Pro HB2 . 16450 1 753 . 1 1 92 92 PRO HB3 H 1 2.358 0.000 . 1 . . . . 92 Pro HB3 . 16450 1 754 . 1 1 92 92 PRO C C 13 177.550 0.000 . 1 . . . . 92 Pro C . 16450 1 755 . 1 1 92 92 PRO CA C 13 63.648 0.000 . 1 . . . . 92 Pro CA . 16450 1 756 . 1 1 92 92 PRO CB C 13 32.170 0.090 . 1 . . . . 92 Pro CB . 16450 1 757 . 1 1 93 93 GLY H H 1 8.509 0.003 . 1 . . . . 93 Gly H . 16450 1 758 . 1 1 93 93 GLY HA2 H 1 3.960 0.000 . 1 . . . . 93 Gly HA2 . 16450 1 759 . 1 1 93 93 GLY HA3 H 1 3.960 0.000 . 1 . . . . 93 Gly HA3 . 16450 1 760 . 1 1 93 93 GLY C C 13 174.346 0.001 . 1 . . . . 93 Gly C . 16450 1 761 . 1 1 93 93 GLY CA C 13 45.342 0.000 . 1 . . . . 93 Gly CA . 16450 1 762 . 1 1 93 93 GLY N N 15 109.603 0.134 . 1 . . . . 93 Gly N . 16450 1 763 . 1 1 94 94 MET H H 1 8.189 0.002 . 1 . . . . 94 Met H . 16450 1 764 . 1 1 94 94 MET HA H 1 4.441 0.007 . 1 . . . . 94 Met HA . 16450 1 765 . 1 1 94 94 MET HB2 H 1 2.059 0.005 . 1 . . . . 94 Met HB2 . 16450 1 766 . 1 1 94 94 MET HB3 H 1 2.059 0.005 . 1 . . . . 94 Met HB3 . 16450 1 767 . 1 1 94 94 MET HG2 H 1 2.559 0.014 . 1 . . . . 94 Met HG2 . 16450 1 768 . 1 1 94 94 MET HG3 H 1 2.559 0.014 . 1 . . . . 94 Met HG3 . 16450 1 769 . 1 1 94 94 MET C C 13 176.815 0.009 . 1 . . . . 94 Met C . 16450 1 770 . 1 1 94 94 MET CA C 13 55.964 0.008 . 1 . . . . 94 Met CA . 16450 1 771 . 1 1 94 94 MET CB C 13 32.863 0.001 . 1 . . . . 94 Met CB . 16450 1 772 . 1 1 94 94 MET CG C 13 32.260 0.000 . 1 . . . . 94 Met CG . 16450 1 773 . 1 1 94 94 MET N N 15 119.739 0.068 . 1 . . . . 94 Met N . 16450 1 774 . 1 1 95 95 GLY H H 1 8.528 0.003 . 1 . . . . 95 Gly H . 16450 1 775 . 1 1 95 95 GLY HA2 H 1 3.987 0.000 . 1 . . . . 95 Gly HA2 . 16450 1 776 . 1 1 95 95 GLY HA3 H 1 3.987 0.000 . 1 . . . . 95 Gly HA3 . 16450 1 777 . 1 1 95 95 GLY C C 13 173.994 0.003 . 1 . . . . 95 Gly C . 16450 1 778 . 1 1 95 95 GLY CA C 13 45.374 0.035 . 1 . . . . 95 Gly CA . 16450 1 779 . 1 1 95 95 GLY N N 15 110.252 0.123 . 1 . . . . 95 Gly N . 16450 1 780 . 1 1 96 96 ARG H H 1 8.221 0.006 . 1 . . . . 96 Arg H . 16450 1 781 . 1 1 96 96 ARG HA H 1 4.344 0.012 . 1 . . . . 96 Arg HA . 16450 1 782 . 1 1 96 96 ARG HB2 H 1 1.771 0.013 . 1 . . . . 96 Arg HB2 . 16450 1 783 . 1 1 96 96 ARG HB3 H 1 1.771 0.013 . 1 . . . . 96 Arg HB3 . 16450 1 784 . 1 1 96 96 ARG HD2 H 1 3.191 0.006 . 1 . . . . 96 Arg HD2 . 16450 1 785 . 1 1 96 96 ARG HD3 H 1 3.192 0.005 . 1 . . . . 96 Arg HD3 . 16450 1 786 . 1 1 96 96 ARG C C 13 176.642 0.000 . 1 . . . . 96 Arg C . 16450 1 787 . 1 1 96 96 ARG CA C 13 56.250 0.000 . 1 . . . . 96 Arg CA . 16450 1 788 . 1 1 96 96 ARG CB C 13 31.019 0.000 . 1 . . . . 96 Arg CB . 16450 1 789 . 1 1 96 96 ARG CD C 13 43.490 0.000 . 1 . . . . 96 Arg CD . 16450 1 790 . 1 1 96 96 ARG N N 15 120.782 0.087 . 1 . . . . 96 Arg N . 16450 1 791 . 1 1 97 97 LYS H H 1 8.507 0.002 . 1 . . . . 97 Lys H . 16450 1 792 . 1 1 97 97 LYS HA H 1 4.283 0.002 . 1 . . . . 97 Lys HA . 16450 1 793 . 1 1 97 97 LYS HB2 H 1 1.938 0.010 . 1 . . . . 97 Lys HB2 . 16450 1 794 . 1 1 97 97 LYS HB3 H 1 1.938 0.010 . 1 . . . . 97 Lys HB3 . 16450 1 795 . 1 1 97 97 LYS HD2 H 1 1.765 0.000 . 1 . . . . 97 Lys HD2 . 16450 1 796 . 1 1 97 97 LYS HD3 H 1 1.765 0.000 . 1 . . . . 97 Lys HD3 . 16450 1 797 . 1 1 97 97 LYS HE2 H 1 2.996 0.007 . 1 . . . . 97 Lys HE2 . 16450 1 798 . 1 1 97 97 LYS HE3 H 1 2.995 0.006 . 1 . . . . 97 Lys HE3 . 16450 1 799 . 1 1 97 97 LYS HG2 H 1 1.468 0.011 . 1 . . . . 97 Lys HG2 . 16450 1 800 . 1 1 97 97 LYS HG3 H 1 1.471 0.012 . 1 . . . . 97 Lys HG3 . 16450 1 801 . 1 1 97 97 LYS C C 13 173.988 0.000 . 1 . . . . 97 Lys C . 16450 1 802 . 1 1 97 97 LYS CA C 13 56.758 0.000 . 1 . . . . 97 Lys CA . 16450 1 803 . 1 1 97 97 LYS CB C 13 32.978 0.000 . 1 . . . . 97 Lys CB . 16450 1 804 . 1 1 97 97 LYS CE C 13 42.080 0.000 . 1 . . . . 97 Lys CE . 16450 1 805 . 1 1 97 97 LYS CG C 13 24.880 0.000 . 1 . . . . 97 Lys CG . 16450 1 806 . 1 1 97 97 LYS N N 15 123.115 0.065 . 1 . . . . 97 Lys N . 16450 1 807 . 1 1 100 100 GLN H H 1 8.570 0.007 . 1 . . . . 100 Gln H . 16450 1 808 . 1 1 100 100 GLN HA H 1 4.296 0.009 . 1 . . . . 100 Gln HA . 16450 1 809 . 1 1 100 100 GLN HB2 H 1 1.925 0.005 . 1 . . . . 100 Gln HB2 . 16450 1 810 . 1 1 100 100 GLN HB3 H 1 1.925 0.005 . 1 . . . . 100 Gln HB3 . 16450 1 811 . 1 1 100 100 GLN HG2 H 1 2.338 0.015 . 1 . . . . 100 Gln HG2 . 16450 1 812 . 1 1 100 100 GLN HG3 H 1 2.328 0.002 . 1 . . . . 100 Gln HG3 . 16450 1 813 . 1 1 100 100 GLN C C 13 176.239 0.009 . 1 . . . . 100 Gln C . 16450 1 814 . 1 1 100 100 GLN CA C 13 56.768 0.068 . 1 . . . . 100 Gln CA . 16450 1 815 . 1 1 100 100 GLN CB C 13 30.337 0.057 . 1 . . . . 100 Gln CB . 16450 1 816 . 1 1 100 100 GLN CG C 13 35.710 0.000 . 1 . . . . 100 Gln CG . 16450 1 817 . 1 1 100 100 GLN N N 15 123.167 0.045 . 1 . . . . 100 Gln N . 16450 1 818 . 1 1 101 101 LYS H H 1 8.459 0.004 . 1 . . . . 101 Lys H . 16450 1 819 . 1 1 101 101 LYS HA H 1 4.289 0.010 . 1 . . . . 101 Lys HA . 16450 1 820 . 1 1 101 101 LYS HB3 H 1 2.013 0.000 . 1 . . . . 101 Lys HB3 . 16450 1 821 . 1 1 101 101 LYS HD2 H 1 1.999 0.000 . 1 . . . . 101 Lys HD2 . 16450 1 822 . 1 1 101 101 LYS HD3 H 1 2.006 0.007 . 1 . . . . 101 Lys HD3 . 16450 1 823 . 1 1 101 101 LYS C C 13 176.481 0.000 . 1 . . . . 101 Lys C . 16450 1 824 . 1 1 101 101 LYS CA C 13 56.492 0.000 . 1 . . . . 101 Lys CA . 16450 1 825 . 1 1 101 101 LYS CB C 13 32.977 0.000 . 1 . . . . 101 Lys CB . 16450 1 826 . 1 1 101 101 LYS N N 15 123.322 0.054 . 1 . . . . 101 Lys N . 16450 1 827 . 1 1 102 102 GLN H H 1 8.472 0.003 . 1 . . . . 102 Gln H . 16450 1 828 . 1 1 102 102 GLN HA H 1 4.313 0.003 . 1 . . . . 102 Gln HA . 16450 1 829 . 1 1 102 102 GLN HB2 H 1 2.044 0.007 . 1 . . . . 102 Gln HB2 . 16450 1 830 . 1 1 102 102 GLN HB3 H 1 2.042 0.006 . 1 . . . . 102 Gln HB3 . 16450 1 831 . 1 1 102 102 GLN HG2 H 1 2.355 0.011 . 1 . . . . 102 Gln HG2 . 16450 1 832 . 1 1 102 102 GLN HG3 H 1 2.350 0.004 . 1 . . . . 102 Gln HG3 . 16450 1 833 . 1 1 102 102 GLN C C 13 176.242 0.010 . 1 . . . . 102 Gln C . 16450 1 834 . 1 1 102 102 GLN CA C 13 56.047 0.020 . 1 . . . . 102 Gln CA . 16450 1 835 . 1 1 102 102 GLN CB C 13 29.667 0.000 . 1 . . . . 102 Gln CB . 16450 1 836 . 1 1 102 102 GLN CG C 13 33.320 0.000 . 1 . . . . 102 Gln CG . 16450 1 837 . 1 1 102 102 GLN N N 15 121.852 0.052 . 1 . . . . 102 Gln N . 16450 1 838 . 1 1 103 103 THR H H 1 8.274 0.004 . 1 . . . . 103 Thr H . 16450 1 839 . 1 1 103 103 THR HA H 1 4.391 0.005 . 1 . . . . 103 Thr HA . 16450 1 840 . 1 1 103 103 THR HB H 1 4.229 0.011 . 1 . . . . 103 Thr HB . 16450 1 841 . 1 1 103 103 THR HG21 H 1 1.212 0.008 . 1 . . . . 103 Thr HG21 . 16450 1 842 . 1 1 103 103 THR HG22 H 1 1.212 0.008 . 1 . . . . 103 Thr HG22 . 16450 1 843 . 1 1 103 103 THR HG23 H 1 1.212 0.008 . 1 . . . . 103 Thr HG23 . 16450 1 844 . 1 1 103 103 THR C C 13 174.588 0.000 . 1 . . . . 103 Thr C . 16450 1 845 . 1 1 103 103 THR CA C 13 61.482 1.005 . 1 . . . . 103 Thr CA . 16450 1 846 . 1 1 103 103 THR CB C 13 68.891 1.502 . 1 . . . . 103 Thr CB . 16450 1 847 . 1 1 103 103 THR CG2 C 13 21.910 0.000 . 1 . . . . 103 Thr CG2 . 16450 1 848 . 1 1 103 103 THR N N 15 115.871 0.052 . 1 . . . . 103 Thr N . 16450 1 849 . 1 1 104 104 SER H H 1 8.364 0.009 . 1 . . . . 104 Ser H . 16450 1 850 . 1 1 104 104 SER HA H 1 4.556 0.000 . 1 . . . . 104 Ser HA . 16450 1 851 . 1 1 104 104 SER HB2 H 1 3.889 0.000 . 1 . . . . 104 Ser HB2 . 16450 1 852 . 1 1 104 104 SER HB3 H 1 3.889 0.000 . 1 . . . . 104 Ser HB3 . 16450 1 853 . 1 1 104 104 SER C C 13 174.319 0.000 . 1 . . . . 104 Ser C . 16450 1 854 . 1 1 104 104 SER CA C 13 58.496 0.000 . 1 . . . . 104 Ser CA . 16450 1 855 . 1 1 104 104 SER CB C 13 63.994 0.009 . 1 . . . . 104 Ser CB . 16450 1 856 . 1 1 104 104 SER N N 15 118.157 0.054 . 1 . . . . 104 Ser N . 16450 1 857 . 1 1 105 105 ALA H H 1 8.420 0.004 . 1 . . . . 105 Ala H . 16450 1 858 . 1 1 105 105 ALA HA H 1 4.376 0.000 . 1 . . . . 105 Ala HA . 16450 1 859 . 1 1 105 105 ALA HB1 H 1 1.448 0.000 . 1 . . . . 105 Ala HB1 . 16450 1 860 . 1 1 105 105 ALA HB2 H 1 1.448 0.000 . 1 . . . . 105 Ala HB2 . 16450 1 861 . 1 1 105 105 ALA HB3 H 1 1.448 0.000 . 1 . . . . 105 Ala HB3 . 16450 1 862 . 1 1 105 105 ALA C C 13 177.940 0.004 . 1 . . . . 105 Ala C . 16450 1 863 . 1 1 105 105 ALA CA C 13 52.815 0.021 . 1 . . . . 105 Ala CA . 16450 1 864 . 1 1 105 105 ALA CB C 13 19.264 0.040 . 1 . . . . 105 Ala CB . 16450 1 865 . 1 1 105 105 ALA N N 15 126.118 0.070 . 1 . . . . 105 Ala N . 16450 1 866 . 1 1 106 106 THR H H 1 8.111 0.003 . 1 . . . . 106 Thr H . 16450 1 867 . 1 1 106 106 THR HA H 1 4.391 0.004 . 1 . . . . 106 Thr HA . 16450 1 868 . 1 1 106 106 THR HB H 1 4.265 0.011 . 1 . . . . 106 Thr HB . 16450 1 869 . 1 1 106 106 THR HG21 H 1 1.210 0.007 . 1 . . . . 106 Thr HG21 . 16450 1 870 . 1 1 106 106 THR HG22 H 1 1.210 0.007 . 1 . . . . 106 Thr HG22 . 16450 1 871 . 1 1 106 106 THR HG23 H 1 1.210 0.007 . 1 . . . . 106 Thr HG23 . 16450 1 872 . 1 1 106 106 THR C C 13 174.528 0.000 . 1 . . . . 106 Thr C . 16450 1 873 . 1 1 106 106 THR CA C 13 61.987 0.000 . 1 . . . . 106 Thr CA . 16450 1 874 . 1 1 106 106 THR CB C 13 69.941 0.000 . 1 . . . . 106 Thr CB . 16450 1 875 . 1 1 106 106 THR CG2 C 13 21.910 0.000 . 1 . . . . 106 Thr CG2 . 16450 1 876 . 1 1 106 106 THR N N 15 112.744 0.052 . 1 . . . . 106 Thr N . 16450 1 877 . 1 1 107 107 SER H H 1 8.258 0.003 . 1 . . . . 107 Ser H . 16450 1 878 . 1 1 107 107 SER HA H 1 4.648 0.012 . 1 . . . . 107 Ser HA . 16450 1 879 . 1 1 107 107 SER HB2 H 1 3.898 0.005 . 1 . . . . 107 Ser HB2 . 16450 1 880 . 1 1 107 107 SER HB3 H 1 3.898 0.005 . 1 . . . . 107 Ser HB3 . 16450 1 881 . 1 1 107 107 SER C C 13 174.209 0.000 . 1 . . . . 107 Ser C . 16450 1 882 . 1 1 107 107 SER CA C 13 58.279 0.000 . 1 . . . . 107 Ser CA . 16450 1 883 . 1 1 107 107 SER CB C 13 64.040 0.000 . 1 . . . . 107 Ser CB . 16450 1 884 . 1 1 107 107 SER N N 15 118.317 0.043 . 1 . . . . 107 Ser N . 16450 1 885 . 1 1 108 108 THR H H 1 8.250 0.002 . 1 . . . . 108 Thr H . 16450 1 886 . 1 1 108 108 THR HA H 1 4.648 0.004 . 1 . . . . 108 Thr HA . 16450 1 887 . 1 1 108 108 THR HB H 1 4.160 0.011 . 1 . . . . 108 Thr HB . 16450 1 888 . 1 1 108 108 THR HG21 H 1 1.233 0.011 . 1 . . . . 108 Thr HG21 . 16450 1 889 . 1 1 108 108 THR HG22 H 1 1.233 0.011 . 1 . . . . 108 Thr HG22 . 16450 1 890 . 1 1 108 108 THR HG23 H 1 1.233 0.011 . 1 . . . . 108 Thr HG23 . 16450 1 891 . 1 1 108 108 THR C C 13 172.916 0.000 . 1 . . . . 108 Thr C . 16450 1 892 . 1 1 108 108 THR CA C 13 59.962 0.000 . 1 . . . . 108 Thr CA . 16450 1 893 . 1 1 108 108 THR CB C 13 69.920 0.000 . 1 . . . . 108 Thr CB . 16450 1 894 . 1 1 108 108 THR CG2 C 13 20.080 0.000 . 1 . . . . 108 Thr CG2 . 16450 1 895 . 1 1 108 108 THR N N 15 118.307 0.053 . 1 . . . . 108 Thr N . 16450 1 896 . 1 1 109 109 PRO HA H 1 4.396 0.000 . 1 . . . . 109 Pro HA . 16450 1 897 . 1 1 109 109 PRO HB2 H 1 2.313 0.006 . 1 . . . . 109 Pro HB2 . 16450 1 898 . 1 1 109 109 PRO HB3 H 1 2.313 0.006 . 1 . . . . 109 Pro HB3 . 16450 1 899 . 1 1 109 109 PRO C C 13 177.598 0.004 . 1 . . . . 109 Pro C . 16450 1 900 . 1 1 109 109 PRO CA C 13 63.824 0.000 . 1 . . . . 109 Pro CA . 16450 1 901 . 1 1 109 109 PRO CB C 13 32.213 0.009 . 1 . . . . 109 Pro CB . 16450 1 902 . 1 1 110 110 GLY H H 1 8.508 0.003 . 1 . . . . 110 Gly H . 16450 1 903 . 1 1 110 110 GLY HA2 H 1 3.956 0.000 . 1 . . . . 110 Gly HA2 . 16450 1 904 . 1 1 110 110 GLY HA3 H 1 3.956 0.000 . 1 . . . . 110 Gly HA3 . 16450 1 905 . 1 1 110 110 GLY C C 13 174.352 0.023 . 1 . . . . 110 Gly C . 16450 1 906 . 1 1 110 110 GLY CA C 13 45.362 0.045 . 1 . . . . 110 Gly CA . 16450 1 907 . 1 1 110 110 GLY N N 15 109.509 0.058 . 1 . . . . 110 Gly N . 16450 1 908 . 1 1 111 111 GLN H H 1 8.207 0.003 . 1 . . . . 111 Gln H . 16450 1 909 . 1 1 111 111 GLN HA H 1 4.333 0.019 . 1 . . . . 111 Gln HA . 16450 1 910 . 1 1 111 111 GLN HB2 H 1 2.063 0.000 . 1 . . . . 111 Gln HB2 . 16450 1 911 . 1 1 111 111 GLN HB3 H 1 2.064 0.001 . 1 . . . . 111 Gln HB3 . 16450 1 912 . 1 1 111 111 GLN HG2 H 1 2.389 0.009 . 1 . . . . 111 Gln HG2 . 16450 1 913 . 1 1 111 111 GLN HG3 H 1 2.389 0.009 . 1 . . . . 111 Gln HG3 . 16450 1 914 . 1 1 111 111 GLN C C 13 176.753 0.009 . 1 . . . . 111 Gln C . 16450 1 915 . 1 1 111 111 GLN CA C 13 56.070 0.000 . 1 . . . . 111 Gln CA . 16450 1 916 . 1 1 111 111 GLN CB C 13 29.459 0.021 . 1 . . . . 111 Gln CB . 16450 1 917 . 1 1 111 111 GLN CG C 13 33.080 0.000 . 1 . . . . 111 Gln CG . 16450 1 918 . 1 1 111 111 GLN N N 15 119.814 0.054 . 1 . . . . 111 Gln N . 16450 1 919 . 1 1 112 112 GLY H H 1 8.538 0.002 . 1 . . . . 112 Gly H . 16450 1 920 . 1 1 112 112 GLY HA2 H 1 3.962 0.000 . 1 . . . . 112 Gly HA2 . 16450 1 921 . 1 1 112 112 GLY HA3 H 1 3.962 0.000 . 1 . . . . 112 Gly HA3 . 16450 1 922 . 1 1 112 112 GLY C C 13 174.322 0.003 . 1 . . . . 112 Gly C . 16450 1 923 . 1 1 112 112 GLY CA C 13 45.445 0.000 . 1 . . . . 112 Gly CA . 16450 1 924 . 1 1 112 112 GLY N N 15 110.152 0.061 . 1 . . . . 112 Gly N . 16450 1 925 . 1 1 113 113 GLN H H 1 8.274 0.003 . 1 . . . . 113 Gln H . 16450 1 926 . 1 1 113 113 GLN HA H 1 4.348 0.005 . 1 . . . . 113 Gln HA . 16450 1 927 . 1 1 113 113 GLN HB2 H 1 2.043 0.007 . 1 . . . . 113 Gln HB2 . 16450 1 928 . 1 1 113 113 GLN HB3 H 1 2.043 0.007 . 1 . . . . 113 Gln HB3 . 16450 1 929 . 1 1 113 113 GLN HG2 H 1 2.338 0.000 . 1 . . . . 113 Gln HG2 . 16450 1 930 . 1 1 113 113 GLN HG3 H 1 2.338 0.000 . 1 . . . . 113 Gln HG3 . 16450 1 931 . 1 1 113 113 GLN C C 13 176.266 0.007 . 1 . . . . 113 Gln C . 16450 1 932 . 1 1 113 113 GLN CA C 13 56.228 0.010 . 1 . . . . 113 Gln CA . 16450 1 933 . 1 1 113 113 GLN CB C 13 29.412 0.018 . 1 . . . . 113 Gln CB . 16450 1 934 . 1 1 113 113 GLN CG C 13 33.320 0.000 . 1 . . . . 113 Gln CG . 16450 1 935 . 1 1 113 113 GLN N N 15 119.893 0.072 . 1 . . . . 113 Gln N . 16450 1 936 . 1 1 114 114 GLN H H 1 8.478 0.004 . 1 . . . . 114 Gln H . 16450 1 937 . 1 1 114 114 GLN HA H 1 4.331 0.015 . 1 . . . . 114 Gln HA . 16450 1 938 . 1 1 114 114 GLN HB2 H 1 2.072 0.025 . 1 . . . . 114 Gln HB2 . 16450 1 939 . 1 1 114 114 GLN HB3 H 1 2.072 0.025 . 1 . . . . 114 Gln HB3 . 16450 1 940 . 1 1 114 114 GLN HG2 H 1 2.381 0.015 . 1 . . . . 114 Gln HG2 . 16450 1 941 . 1 1 114 114 GLN HG3 H 1 2.381 0.015 . 1 . . . . 114 Gln HG3 . 16450 1 942 . 1 1 114 114 GLN C C 13 176.114 0.002 . 1 . . . . 114 Gln C . 16450 1 943 . 1 1 114 114 GLN CA C 13 56.178 0.000 . 1 . . . . 114 Gln CA . 16450 1 944 . 1 1 114 114 GLN CB C 13 29.366 0.000 . 1 . . . . 114 Gln CB . 16450 1 945 . 1 1 114 114 GLN CG C 13 33.910 0.000 . 1 . . . . 114 Gln CG . 16450 1 946 . 1 1 114 114 GLN N N 15 121.429 0.052 . 1 . . . . 114 Gln N . 16450 1 947 . 1 1 115 115 GLN H H 1 8.422 0.002 . 1 . . . . 115 Gln H . 16450 1 948 . 1 1 115 115 GLN HA H 1 4.314 0.009 . 1 . . . . 115 Gln HA . 16450 1 949 . 1 1 115 115 GLN HB2 H 1 2.029 0.010 . 1 . . . . 115 Gln HB2 . 16450 1 950 . 1 1 115 115 GLN HB3 H 1 2.029 0.010 . 1 . . . . 115 Gln HB3 . 16450 1 951 . 1 1 115 115 GLN HG2 H 1 2.333 0.000 . 1 . . . . 115 Gln HG2 . 16450 1 952 . 1 1 115 115 GLN HG3 H 1 2.333 0.000 . 1 . . . . 115 Gln HG3 . 16450 1 953 . 1 1 115 115 GLN C C 13 176.069 0.039 . 1 . . . . 115 Gln C . 16450 1 954 . 1 1 115 115 GLN CA C 13 56.209 0.001 . 1 . . . . 115 Gln CA . 16450 1 955 . 1 1 115 115 GLN CB C 13 29.335 0.002 . 1 . . . . 115 Gln CB . 16450 1 956 . 1 1 115 115 GLN CG C 13 33.910 0.000 . 1 . . . . 115 Gln CG . 16450 1 957 . 1 1 115 115 GLN N N 15 121.758 0.056 . 1 . . . . 115 Gln N . 16450 1 958 . 1 1 116 116 LYS H H 1 8.387 0.003 . 1 . . . . 116 Lys H . 16450 1 959 . 1 1 116 116 LYS HA H 1 4.301 0.018 . 1 . . . . 116 Lys HA . 16450 1 960 . 1 1 116 116 LYS HB2 H 1 1.681 0.001 . 1 . . . . 116 Lys HB2 . 16450 1 961 . 1 1 116 116 LYS HB3 H 1 1.684 0.006 . 1 . . . . 116 Lys HB3 . 16450 1 962 . 1 1 116 116 LYS HD2 H 1 1.599 0.216 . 1 . . . . 116 Lys HD2 . 16450 1 963 . 1 1 116 116 LYS HD3 H 1 1.599 0.216 . 1 . . . . 116 Lys HD3 . 16450 1 964 . 1 1 116 116 LYS HE2 H 1 3.002 0.001 . 1 . . . . 116 Lys HE2 . 16450 1 965 . 1 1 116 116 LYS HE3 H 1 3.002 0.001 . 1 . . . . 116 Lys HE3 . 16450 1 966 . 1 1 116 116 LYS HG2 H 1 1.451 0.000 . 1 . . . . 116 Lys HG2 . 16450 1 967 . 1 1 116 116 LYS HG3 H 1 1.451 0.000 . 1 . . . . 116 Lys HG3 . 16450 1 968 . 1 1 116 116 LYS C C 13 177.181 0.005 . 1 . . . . 116 Lys C . 16450 1 969 . 1 1 116 116 LYS CA C 13 56.634 0.014 . 1 . . . . 116 Lys CA . 16450 1 970 . 1 1 116 116 LYS CB C 13 33.012 0.003 . 1 . . . . 116 Lys CB . 16450 1 971 . 1 1 116 116 LYS CG C 13 24.490 0.000 . 1 . . . . 116 Lys CG . 16450 1 972 . 1 1 116 116 LYS N N 15 122.791 0.057 . 1 . . . . 116 Lys N . 16450 1 973 . 1 1 117 117 GLY H H 1 8.489 0.003 . 1 . . . . 117 Gly H . 16450 1 974 . 1 1 117 117 GLY HA2 H 1 3.949 0.000 . 1 . . . . 117 Gly HA2 . 16450 1 975 . 1 1 117 117 GLY HA3 H 1 3.949 0.000 . 1 . . . . 117 Gly HA3 . 16450 1 976 . 1 1 117 117 GLY C C 13 174.337 0.000 . 1 . . . . 117 Gly C . 16450 1 977 . 1 1 117 117 GLY CA C 13 45.221 0.000 . 1 . . . . 117 Gly CA . 16450 1 978 . 1 1 117 117 GLY N N 15 109.911 0.059 . 1 . . . . 117 Gly N . 16450 1 979 . 1 1 118 118 MET H H 1 8.183 0.003 . 1 . . . . 118 Met H . 16450 1 980 . 1 1 118 118 MET HA H 1 4.488 0.014 . 1 . . . . 118 Met HA . 16450 1 981 . 1 1 118 118 MET HB2 H 1 2.075 0.017 . 1 . . . . 118 Met HB2 . 16450 1 982 . 1 1 118 118 MET HB3 H 1 2.075 0.017 . 1 . . . . 118 Met HB3 . 16450 1 983 . 1 1 118 118 MET HG2 H 1 2.598 0.011 . 1 . . . . 118 Met HG2 . 16450 1 984 . 1 1 118 118 MET HG3 H 1 2.598 0.011 . 1 . . . . 118 Met HG3 . 16450 1 985 . 1 1 118 118 MET C C 13 176.824 0.000 . 1 . . . . 118 Met C . 16450 1 986 . 1 1 118 118 MET CA C 13 55.808 0.000 . 1 . . . . 118 Met CA . 16450 1 987 . 1 1 118 118 MET CB C 13 32.930 0.000 . 1 . . . . 118 Met CB . 16450 1 988 . 1 1 118 118 MET CG C 13 31.910 0.000 . 1 . . . . 118 Met CG . 16450 1 989 . 1 1 118 118 MET N N 15 119.713 0.059 . 1 . . . . 118 Met N . 16450 1 990 . 1 1 119 119 MET H H 1 8.396 0.003 . 1 . . . . 119 Met H . 16450 1 991 . 1 1 119 119 MET HA H 1 4.368 0.001 . 1 . . . . 119 Met HA . 16450 1 992 . 1 1 119 119 MET HB2 H 1 2.072 0.021 . 1 . . . . 119 Met HB2 . 16450 1 993 . 1 1 119 119 MET HB3 H 1 2.072 0.021 . 1 . . . . 119 Met HB3 . 16450 1 994 . 1 1 119 119 MET HG2 H 1 2.360 0.011 . 1 . . . . 119 Met HG2 . 16450 1 995 . 1 1 119 119 MET HG3 H 1 2.360 0.011 . 1 . . . . 119 Met HG3 . 16450 1 996 . 1 1 119 119 MET C C 13 176.365 0.008 . 1 . . . . 119 Met C . 16450 1 997 . 1 1 119 119 MET CA C 13 55.811 0.000 . 1 . . . . 119 Met CA . 16450 1 998 . 1 1 119 119 MET CB C 13 32.646 0.000 . 1 . . . . 119 Met CB . 16450 1 999 . 1 1 119 119 MET CG C 13 32.646 0.000 . 1 . . . . 119 Met CG . 16450 1 1000 . 1 1 119 119 MET N N 15 120.956 0.055 . 1 . . . . 119 Met N . 16450 1 1001 . 1 1 120 120 GLU H H 1 8.344 0.003 . 1 . . . . 120 Glu H . 16450 1 1002 . 1 1 120 120 GLU HA H 1 4.231 0.005 . 1 . . . . 120 Glu HA . 16450 1 1003 . 1 1 120 120 GLU HB2 H 1 1.969 0.006 . 1 . . . . 120 Glu HB2 . 16450 1 1004 . 1 1 120 120 GLU HB3 H 1 1.969 0.006 . 1 . . . . 120 Glu HB3 . 16450 1 1005 . 1 1 120 120 GLU HG2 H 1 2.261 0.005 . 1 . . . . 120 Glu HG2 . 16450 1 1006 . 1 1 120 120 GLU HG3 H 1 2.261 0.005 . 1 . . . . 120 Glu HG3 . 16450 1 1007 . 1 1 120 120 GLU C C 13 176.467 0.007 . 1 . . . . 120 Glu C . 16450 1 1008 . 1 1 120 120 GLU CA C 13 56.991 0.000 . 1 . . . . 120 Glu CA . 16450 1 1009 . 1 1 120 120 GLU CB C 13 30.387 0.000 . 1 . . . . 120 Glu CB . 16450 1 1010 . 1 1 120 120 GLU CG C 13 36.330 0.000 . 1 . . . . 120 Glu CG . 16450 1 1011 . 1 1 120 120 GLU N N 15 121.961 0.052 . 1 . . . . 120 Glu N . 16450 1 1012 . 1 1 121 121 LYS H H 1 8.265 0.003 . 1 . . . . 121 Lys H . 16450 1 1013 . 1 1 121 121 LYS HA H 1 4.303 0.009 . 1 . . . . 121 Lys HA . 16450 1 1014 . 1 1 121 121 LYS HB2 H 1 1.583 0.173 . 1 . . . . 121 Lys HB2 . 16450 1 1015 . 1 1 121 121 LYS HB3 H 1 1.583 0.173 . 1 . . . . 121 Lys HB3 . 16450 1 1016 . 1 1 121 121 LYS C C 13 176.493 0.000 . 1 . . . . 121 Lys C . 16450 1 1017 . 1 1 121 121 LYS CA C 13 56.470 0.000 . 1 . . . . 121 Lys CA . 16450 1 1018 . 1 1 121 121 LYS CB C 13 32.672 0.000 . 1 . . . . 121 Lys CB . 16450 1 1019 . 1 1 121 121 LYS N N 15 122.300 0.042 . 1 . . . . 121 Lys N . 16450 1 1020 . 1 1 122 122 ILE H H 1 8.171 0.012 . 1 . . . . 122 Ile H . 16450 1 1021 . 1 1 122 122 ILE HA H 1 4.112 0.004 . 1 . . . . 122 Ile HA . 16450 1 1022 . 1 1 122 122 ILE HB H 1 1.858 0.003 . 1 . . . . 122 Ile HB . 16450 1 1023 . 1 1 122 122 ILE HD11 H 1 0.866 0.002 . 1 . . . . 122 Ile HD11 . 16450 1 1024 . 1 1 122 122 ILE HD12 H 1 0.866 0.002 . 1 . . . . 122 Ile HD12 . 16450 1 1025 . 1 1 122 122 ILE HD13 H 1 0.866 0.002 . 1 . . . . 122 Ile HD13 . 16450 1 1026 . 1 1 122 122 ILE HG12 H 1 0.862 0.001 . 1 . . . . 122 Ile HG12 . 16450 1 1027 . 1 1 122 122 ILE HG13 H 1 0.862 0.001 . 1 . . . . 122 Ile HG13 . 16450 1 1028 . 1 1 122 122 ILE C C 13 176.177 0.006 . 1 . . . . 122 Ile C . 16450 1 1029 . 1 1 122 122 ILE CA C 13 61.310 0.037 . 1 . . . . 122 Ile CA . 16450 1 1030 . 1 1 122 122 ILE CB C 13 38.732 0.031 . 1 . . . . 122 Ile CB . 16450 1 1031 . 1 1 122 122 ILE CD1 C 13 12.730 0.000 . 1 . . . . 122 Ile CD1 . 16450 1 1032 . 1 1 122 122 ILE CG1 C 13 25.200 0.000 . 1 . . . . 122 Ile CG1 . 16450 1 1033 . 1 1 122 122 ILE CG2 C 13 17.400 0.000 . 1 . . . . 122 Ile CG2 . 16450 1 1034 . 1 1 122 122 ILE N N 15 122.897 0.014 . 1 . . . . 122 Ile N . 16450 1 1035 . 1 1 123 123 LYS H H 1 8.402 0.002 . 1 . . . . 123 Lys H . 16450 1 1036 . 1 1 123 123 LYS HA H 1 4.305 0.009 . 1 . . . . 123 Lys HA . 16450 1 1037 . 1 1 123 123 LYS HB2 H 1 1.805 0.018 . 1 . . . . 123 Lys HB2 . 16450 1 1038 . 1 1 123 123 LYS HB3 H 1 1.805 0.018 . 1 . . . . 123 Lys HB3 . 16450 1 1039 . 1 1 123 123 LYS HD2 H 1 1.695 0.000 . 1 . . . . 123 Lys HD2 . 16450 1 1040 . 1 1 123 123 LYS HD3 H 1 1.695 0.000 . 1 . . . . 123 Lys HD3 . 16450 1 1041 . 1 1 123 123 LYS HE2 H 1 3.004 0.000 . 1 . . . . 123 Lys HE2 . 16450 1 1042 . 1 1 123 123 LYS HE3 H 1 3.004 0.000 . 1 . . . . 123 Lys HE3 . 16450 1 1043 . 1 1 123 123 LYS HG2 H 1 1.416 0.003 . 1 . . . . 123 Lys HG2 . 16450 1 1044 . 1 1 123 123 LYS HG3 H 1 1.416 0.003 . 1 . . . . 123 Lys HG3 . 16450 1 1045 . 1 1 123 123 LYS C C 13 176.292 0.000 . 1 . . . . 123 Lys C . 16450 1 1046 . 1 1 123 123 LYS CA C 13 56.427 0.000 . 1 . . . . 123 Lys CA . 16450 1 1047 . 1 1 123 123 LYS CB C 13 32.953 0.000 . 1 . . . . 123 Lys CB . 16450 1 1048 . 1 1 123 123 LYS CD C 13 29.157 0.000 . 1 . . . . 123 Lys CD . 16450 1 1049 . 1 1 123 123 LYS CG C 13 24.490 0.000 . 1 . . . . 123 Lys CG . 16450 1 1050 . 1 1 123 123 LYS N N 15 126.032 0.055 . 1 . . . . 123 Lys N . 16450 1 1051 . 1 1 124 124 GLU H H 1 8.360 0.003 . 1 . . . . 124 Glu H . 16450 1 1052 . 1 1 124 124 GLU HA H 1 4.262 0.015 . 1 . . . . 124 Glu HA . 16450 1 1053 . 1 1 124 124 GLU HB2 H 1 1.924 0.012 . 1 . . . . 124 Glu HB2 . 16450 1 1054 . 1 1 124 124 GLU HB3 H 1 1.924 0.012 . 1 . . . . 124 Glu HB3 . 16450 1 1055 . 1 1 124 124 GLU HG2 H 1 2.257 0.003 . 1 . . . . 124 Glu HG2 . 16450 1 1056 . 1 1 124 124 GLU HG3 H 1 2.257 0.003 . 1 . . . . 124 Glu HG3 . 16450 1 1057 . 1 1 124 124 GLU C C 13 176.128 0.000 . 1 . . . . 124 Glu C . 16450 1 1058 . 1 1 124 124 GLU CA C 13 56.921 0.000 . 1 . . . . 124 Glu CA . 16450 1 1059 . 1 1 124 124 GLU CB C 13 30.592 0.000 . 1 . . . . 124 Glu CB . 16450 1 1060 . 1 1 124 124 GLU CG C 13 36.250 0.000 . 1 . . . . 124 Glu CG . 16450 1 1061 . 1 1 124 124 GLU N N 15 122.707 0.041 . 1 . . . . 124 Glu N . 16450 1 1062 . 1 1 125 125 LYS H H 1 8.300 0.002 . 1 . . . . 125 Lys H . 16450 1 1063 . 1 1 125 125 LYS HA H 1 4.294 0.007 . 1 . . . . 125 Lys HA . 16450 1 1064 . 1 1 125 125 LYS HB3 H 1 1.781 0.020 . 1 . . . . 125 Lys HB3 . 16450 1 1065 . 1 1 125 125 LYS HD2 H 1 1.830 0.000 . 1 . . . . 125 Lys HD2 . 16450 1 1066 . 1 1 125 125 LYS HD3 H 1 1.830 0.000 . 1 . . . . 125 Lys HD3 . 16450 1 1067 . 1 1 125 125 LYS HG2 H 1 1.418 0.007 . 1 . . . . 125 Lys HG2 . 16450 1 1068 . 1 1 125 125 LYS HG3 H 1 1.418 0.007 . 1 . . . . 125 Lys HG3 . 16450 1 1069 . 1 1 125 125 LYS C C 13 176.613 0.000 . 1 . . . . 125 Lys C . 16450 1 1070 . 1 1 125 125 LYS CA C 13 56.321 0.000 . 1 . . . . 125 Lys CA . 16450 1 1071 . 1 1 125 125 LYS CB C 13 33.041 0.000 . 1 . . . . 125 Lys CB . 16450 1 1072 . 1 1 125 125 LYS CG C 13 24.490 0.000 . 1 . . . . 125 Lys CG . 16450 1 1073 . 1 1 125 125 LYS N N 15 122.668 0.057 . 1 . . . . 125 Lys N . 16450 1 1074 . 1 1 126 126 LEU H H 1 8.283 0.004 . 1 . . . . 126 Leu H . 16450 1 1075 . 1 1 126 126 LEU HA H 1 4.594 0.000 . 1 . . . . 126 Leu HA . 16450 1 1076 . 1 1 126 126 LEU HB2 H 1 1.595 0.013 . 1 . . . . 126 Leu HB2 . 16450 1 1077 . 1 1 126 126 LEU HB3 H 1 1.595 0.013 . 1 . . . . 126 Leu HB3 . 16450 1 1078 . 1 1 126 126 LEU HD11 H 1 0.914 0.013 . 1 . . . . 126 Leu HD11 . 16450 1 1079 . 1 1 126 126 LEU HD12 H 1 0.914 0.013 . 1 . . . . 126 Leu HD12 . 16450 1 1080 . 1 1 126 126 LEU HD13 H 1 0.914 0.013 . 1 . . . . 126 Leu HD13 . 16450 1 1081 . 1 1 126 126 LEU HD21 H 1 0.912 0.012 . 1 . . . . 126 Leu HD21 . 16450 1 1082 . 1 1 126 126 LEU HD22 H 1 0.912 0.012 . 1 . . . . 126 Leu HD22 . 16450 1 1083 . 1 1 126 126 LEU HD23 H 1 0.912 0.012 . 1 . . . . 126 Leu HD23 . 16450 1 1084 . 1 1 126 126 LEU HG H 1 1.626 0.014 . 1 . . . . 126 Leu HG . 16450 1 1085 . 1 1 126 126 LEU C C 13 175.289 0.000 . 1 . . . . 126 Leu C . 16450 1 1086 . 1 1 126 126 LEU CA C 13 53.106 0.000 . 1 . . . . 126 Leu CA . 16450 1 1087 . 1 1 126 126 LEU CB C 13 41.546 0.000 . 1 . . . . 126 Leu CB . 16450 1 1088 . 1 1 126 126 LEU CD1 C 13 24.000 0.000 . 1 . . . . 126 Leu CD1 . 16450 1 1089 . 1 1 126 126 LEU CD2 C 13 24.000 0.000 . 1 . . . . 126 Leu CD2 . 16450 1 1090 . 1 1 126 126 LEU CG C 13 27.010 0.000 . 1 . . . . 126 Leu CG . 16450 1 1091 . 1 1 126 126 LEU N N 15 125.258 0.095 . 1 . . . . 126 Leu N . 16450 1 1092 . 1 1 127 127 PRO HA H 1 4.440 0.019 . 1 . . . . 127 Pro HA . 16450 1 1093 . 1 1 127 127 PRO HB2 H 1 2.301 0.003 . 1 . . . . 127 Pro HB2 . 16450 1 1094 . 1 1 127 127 PRO HB3 H 1 2.307 0.010 . 1 . . . . 127 Pro HB3 . 16450 1 1095 . 1 1 127 127 PRO HG2 H 1 2.071 0.001 . 1 . . . . 127 Pro HG2 . 16450 1 1096 . 1 1 127 127 PRO HG3 H 1 2.071 0.001 . 1 . . . . 127 Pro HG3 . 16450 1 1097 . 1 1 127 127 PRO C C 13 175.341 0.000 . 1 . . . . 127 Pro C . 16450 1 1098 . 1 1 127 127 PRO CA C 13 63.646 0.000 . 1 . . . . 127 Pro CA . 16450 1 1099 . 1 1 127 127 PRO CB C 13 32.017 0.010 . 1 . . . . 127 Pro CB . 16450 1 1100 . 1 1 128 128 GLY H H 1 8.486 0.007 . 1 . . . . 128 Gly H . 16450 1 1101 . 1 1 128 128 GLY HA2 H 1 3.950 0.000 . 1 . . . . 128 Gly HA2 . 16450 1 1102 . 1 1 128 128 GLY HA3 H 1 3.950 0.000 . 1 . . . . 128 Gly HA3 . 16450 1 1103 . 1 1 128 128 GLY C C 13 173.705 0.005 . 1 . . . . 128 Gly C . 16450 1 1104 . 1 1 128 128 GLY CA C 13 45.325 0.000 . 1 . . . . 128 Gly CA . 16450 1 1105 . 1 1 128 128 GLY N N 15 109.986 0.206 . 1 . . . . 128 Gly N . 16450 1 1106 . 1 1 129 129 ALA H H 1 7.986 0.004 . 1 . . . . 129 Ala H . 16450 1 1107 . 1 1 129 129 ALA HA H 1 4.336 0.010 . 1 . . . . 129 Ala HA . 16450 1 1108 . 1 1 129 129 ALA HB1 H 1 1.371 0.002 . 1 . . . . 129 Ala HB1 . 16450 1 1109 . 1 1 129 129 ALA HB2 H 1 1.371 0.002 . 1 . . . . 129 Ala HB2 . 16450 1 1110 . 1 1 129 129 ALA HB3 H 1 1.371 0.002 . 1 . . . . 129 Ala HB3 . 16450 1 1111 . 1 1 129 129 ALA C C 13 176.805 0.000 . 1 . . . . 129 Ala C . 16450 1 1112 . 1 1 129 129 ALA CA C 13 52.496 0.007 . 1 . . . . 129 Ala CA . 16450 1 1113 . 1 1 129 129 ALA CB C 13 19.455 0.036 . 1 . . . . 129 Ala CB . 16450 1 1114 . 1 1 129 129 ALA N N 15 123.903 0.044 . 1 . . . . 129 Ala N . 16450 1 1115 . 1 1 130 130 HIS H H 1 7.999 0.010 . 1 . . . . 130 His H . 16450 1 1116 . 1 1 130 130 HIS HA H 1 4.456 0.004 . 1 . . . . 130 His HA . 16450 1 1117 . 1 1 130 130 HIS HB2 H 1 3.153 0.005 . 1 . . . . 130 His HB2 . 16450 1 1118 . 1 1 130 130 HIS HB3 H 1 3.153 0.005 . 1 . . . . 130 His HB3 . 16450 1 1119 . 1 1 130 130 HIS C C 13 170.981 0.000 . 1 . . . . 130 His C . 16450 1 1120 . 1 1 130 130 HIS CA C 13 57.137 0.000 . 1 . . . . 130 His CA . 16450 1 1121 . 1 1 130 130 HIS CB C 13 30.340 0.003 . 1 . . . . 130 His CB . 16450 1 1122 . 1 1 130 130 HIS N N 15 123.062 0.093 . 1 . . . . 130 His N . 16450 1 stop_ save_