data_19354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19354 _Entry.Title ; Solution structure of Smoothened ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rajashree Rana . . . 19354 2 Ho-Jin Lee . . . 19354 3 Jie Zheng . J. . 19354 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19354 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Hedgehog . 19354 Smoothened . 19354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 19354 '15N chemical shifts' 125 19354 '1H chemical shifts' 926 19354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-13 2013-07-09 original author . 19354 stop_ save_ ############### # Citations # ############### save_Raji _Citation.Sf_category citations _Citation.Sf_framecode Raji _Citation.Entry_ID 19354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24351982 _Citation.Full_citation . _Citation.Title 'Structural insights into the role of the Smoothened cysteine-rich domain in Hedgehog signalling.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2965 _Citation.Page_last 2965 _Citation.Year 2013 _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 Rajashree Rana . . . 19354 1 2 Candace Carroll . E. . 19354 1 3 Ho-Jin Lee . . . 19354 1 4 Ju Bao . . . 19354 1 5 Suresh Marada . . . 19354 1 6 Christy Grace . R.R. . 19354 1 7 Cristina Guibao . D. . 19354 1 8 Stacey Ogden . K. . 19354 1 9 Jie Zheng . J. . 19354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19354 _Assembly.ID 1 _Assembly.Name Smoothened _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Smoothened 1 $entity A . yes native no no . . . 19354 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 81 81 SG . . 27 CYS SG . . 92 CYS SG 19354 1 2 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 74 74 SG . . 37 CYS SG . . 85 CYS SG 19354 1 3 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 105 105 SG . . 76 CYS SG . . 116 CYS SG 19354 1 4 disulfide single . 1 . 1 CYS 98 98 SG . 1 . 1 CYS 120 120 SG . . 109 CYS SG . . 131 CYS SG 19354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGLVPRGSHMVRRARCYPTS NATNTCFGSKLPYELSSLDL TDFHTEKELNDKLNDYYALK HVPKCWAAIQPFLCAVFKPK CEKINGEDMVYLPSYEMCRI TMEPCRILYNTTFFPKFLRC NETLFPTK ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15224.935 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MAH . "Solution Structure Of Smoothened" . . . . . 100.00 128 100.00 100.00 1.57e-89 . . . . 19354 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 12 SER . 19354 1 2 13 GLY . 19354 1 3 14 LEU . 19354 1 4 15 VAL . 19354 1 5 16 PRO . 19354 1 6 17 ARG . 19354 1 7 18 GLY . 19354 1 8 19 SER . 19354 1 9 20 HIS . 19354 1 10 21 MET . 19354 1 11 22 VAL . 19354 1 12 23 ARG . 19354 1 13 24 ARG . 19354 1 14 25 ALA . 19354 1 15 26 ARG . 19354 1 16 27 CYS . 19354 1 17 28 TYR . 19354 1 18 29 PRO . 19354 1 19 30 THR . 19354 1 20 31 SER . 19354 1 21 32 ASN . 19354 1 22 33 ALA . 19354 1 23 34 THR . 19354 1 24 35 ASN . 19354 1 25 36 THR . 19354 1 26 37 CYS . 19354 1 27 38 PHE . 19354 1 28 39 GLY . 19354 1 29 40 SER . 19354 1 30 41 LYS . 19354 1 31 42 LEU . 19354 1 32 43 PRO . 19354 1 33 44 TYR . 19354 1 34 45 GLU . 19354 1 35 46 LEU . 19354 1 36 47 SER . 19354 1 37 48 SER . 19354 1 38 49 LEU . 19354 1 39 50 ASP . 19354 1 40 51 LEU . 19354 1 41 52 THR . 19354 1 42 53 ASP . 19354 1 43 54 PHE . 19354 1 44 55 HIS . 19354 1 45 56 THR . 19354 1 46 57 GLU . 19354 1 47 58 LYS . 19354 1 48 59 GLU . 19354 1 49 60 LEU . 19354 1 50 61 ASN . 19354 1 51 62 ASP . 19354 1 52 63 LYS . 19354 1 53 64 LEU . 19354 1 54 65 ASN . 19354 1 55 66 ASP . 19354 1 56 67 TYR . 19354 1 57 68 TYR . 19354 1 58 69 ALA . 19354 1 59 70 LEU . 19354 1 60 71 LYS . 19354 1 61 72 HIS . 19354 1 62 73 VAL . 19354 1 63 74 PRO . 19354 1 64 75 LYS . 19354 1 65 76 CYS . 19354 1 66 77 TRP . 19354 1 67 78 ALA . 19354 1 68 79 ALA . 19354 1 69 80 ILE . 19354 1 70 81 GLN . 19354 1 71 82 PRO . 19354 1 72 83 PHE . 19354 1 73 84 LEU . 19354 1 74 85 CYS . 19354 1 75 86 ALA . 19354 1 76 87 VAL . 19354 1 77 88 PHE . 19354 1 78 89 LYS . 19354 1 79 90 PRO . 19354 1 80 91 LYS . 19354 1 81 92 CYS . 19354 1 82 93 GLU . 19354 1 83 94 LYS . 19354 1 84 95 ILE . 19354 1 85 96 ASN . 19354 1 86 97 GLY . 19354 1 87 98 GLU . 19354 1 88 99 ASP . 19354 1 89 100 MET . 19354 1 90 101 VAL . 19354 1 91 102 TYR . 19354 1 92 103 LEU . 19354 1 93 104 PRO . 19354 1 94 105 SER . 19354 1 95 106 TYR . 19354 1 96 107 GLU . 19354 1 97 108 MET . 19354 1 98 109 CYS . 19354 1 99 110 ARG . 19354 1 100 111 ILE . 19354 1 101 112 THR . 19354 1 102 113 MET . 19354 1 103 114 GLU . 19354 1 104 115 PRO . 19354 1 105 116 CYS . 19354 1 106 117 ARG . 19354 1 107 118 ILE . 19354 1 108 119 LEU . 19354 1 109 120 TYR . 19354 1 110 121 ASN . 19354 1 111 122 THR . 19354 1 112 123 THR . 19354 1 113 124 PHE . 19354 1 114 125 PHE . 19354 1 115 126 PRO . 19354 1 116 127 LYS . 19354 1 117 128 PHE . 19354 1 118 129 LEU . 19354 1 119 130 ARG . 19354 1 120 131 CYS . 19354 1 121 132 ASN . 19354 1 122 133 GLU . 19354 1 123 134 THR . 19354 1 124 135 LEU . 19354 1 125 136 PHE . 19354 1 126 137 PRO . 19354 1 127 138 THR . 19354 1 128 139 LYS . 19354 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 . SER 1 1 19354 1 . GLY 2 2 19354 1 . LEU 3 3 19354 1 . VAL 4 4 19354 1 . PRO 5 5 19354 1 . ARG 6 6 19354 1 . GLY 7 7 19354 1 . SER 8 8 19354 1 . HIS 9 9 19354 1 . MET 10 10 19354 1 . VAL 11 11 19354 1 . ARG 12 12 19354 1 . ARG 13 13 19354 1 . ALA 14 14 19354 1 . ARG 15 15 19354 1 . CYS 16 16 19354 1 . TYR 17 17 19354 1 . PRO 18 18 19354 1 . THR 19 19 19354 1 . SER 20 20 19354 1 . ASN 21 21 19354 1 . ALA 22 22 19354 1 . THR 23 23 19354 1 . ASN 24 24 19354 1 . THR 25 25 19354 1 . CYS 26 26 19354 1 . PHE 27 27 19354 1 . GLY 28 28 19354 1 . SER 29 29 19354 1 . LYS 30 30 19354 1 . LEU 31 31 19354 1 . PRO 32 32 19354 1 . TYR 33 33 19354 1 . GLU 34 34 19354 1 . LEU 35 35 19354 1 . SER 36 36 19354 1 . SER 37 37 19354 1 . LEU 38 38 19354 1 . ASP 39 39 19354 1 . LEU 40 40 19354 1 . THR 41 41 19354 1 . ASP 42 42 19354 1 . PHE 43 43 19354 1 . HIS 44 44 19354 1 . THR 45 45 19354 1 . GLU 46 46 19354 1 . LYS 47 47 19354 1 . GLU 48 48 19354 1 . LEU 49 49 19354 1 . ASN 50 50 19354 1 . ASP 51 51 19354 1 . LYS 52 52 19354 1 . LEU 53 53 19354 1 . ASN 54 54 19354 1 . ASP 55 55 19354 1 . TYR 56 56 19354 1 . TYR 57 57 19354 1 . ALA 58 58 19354 1 . LEU 59 59 19354 1 . LYS 60 60 19354 1 . HIS 61 61 19354 1 . VAL 62 62 19354 1 . PRO 63 63 19354 1 . LYS 64 64 19354 1 . CYS 65 65 19354 1 . TRP 66 66 19354 1 . ALA 67 67 19354 1 . ALA 68 68 19354 1 . ILE 69 69 19354 1 . GLN 70 70 19354 1 . PRO 71 71 19354 1 . PHE 72 72 19354 1 . LEU 73 73 19354 1 . CYS 74 74 19354 1 . ALA 75 75 19354 1 . VAL 76 76 19354 1 . PHE 77 77 19354 1 . LYS 78 78 19354 1 . PRO 79 79 19354 1 . LYS 80 80 19354 1 . CYS 81 81 19354 1 . GLU 82 82 19354 1 . LYS 83 83 19354 1 . ILE 84 84 19354 1 . ASN 85 85 19354 1 . GLY 86 86 19354 1 . GLU 87 87 19354 1 . ASP 88 88 19354 1 . MET 89 89 19354 1 . VAL 90 90 19354 1 . TYR 91 91 19354 1 . LEU 92 92 19354 1 . PRO 93 93 19354 1 . SER 94 94 19354 1 . TYR 95 95 19354 1 . GLU 96 96 19354 1 . MET 97 97 19354 1 . CYS 98 98 19354 1 . ARG 99 99 19354 1 . ILE 100 100 19354 1 . THR 101 101 19354 1 . MET 102 102 19354 1 . GLU 103 103 19354 1 . PRO 104 104 19354 1 . CYS 105 105 19354 1 . ARG 106 106 19354 1 . ILE 107 107 19354 1 . LEU 108 108 19354 1 . TYR 109 109 19354 1 . ASN 110 110 19354 1 . THR 111 111 19354 1 . THR 112 112 19354 1 . PHE 113 113 19354 1 . PHE 114 114 19354 1 . PRO 115 115 19354 1 . LYS 116 116 19354 1 . PHE 117 117 19354 1 . LEU 118 118 19354 1 . ARG 119 119 19354 1 . CYS 120 120 19354 1 . ASN 121 121 19354 1 . GLU 122 122 19354 1 . THR 123 123 19354 1 . LEU 124 124 19354 1 . PHE 125 125 19354 1 . PRO 126 126 19354 1 . THR 127 127 19354 1 . LYS 128 128 19354 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 19354 _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 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19354 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 19354 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 19354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 200 . . mM . . . . 19354 1 2 'acetic acid' [U-2H] . . . . . . 10 . . mM . . . . 19354 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19354 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19354 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 19354 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19354 1 pH 5 . pH 19354 1 pressure 1 . atm 19354 1 temperature 298 . K 19354 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19354 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19354 1 'structure solution' 19354 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19354 _NMR_spectrometer.ID 2 _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 19354 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19354 1 2 spectrometer_2 Bruker Avance . 600 . . . 19354 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 19354 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 5 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19354 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19354 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19354 _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 internal indirect 0.25144952 . . . . . . . . . 19354 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.00000000 . . . . . . . . . 19354 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 19354 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 19354 _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' 1 $sample_1 . 19354 1 3 '3D HNCA' 1 $sample_1 . 19354 1 4 '3D HNCACB' 1 $sample_1 . 19354 1 5 '3D HCCH-TOCSY' 1 $sample_1 . 19354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.394 0.020 . 1 . . . A 12 SER HA . 19354 1 2 . 1 1 1 1 SER HB2 H 1 3.739 0.020 . 2 . . . A 12 SER HB2 . 19354 1 3 . 1 1 1 1 SER HB3 H 1 3.739 0.020 . 2 . . . A 12 SER HB3 . 19354 1 4 . 1 1 1 1 SER H H 1 8.442 0.020 . 1 . . . A 12 SER H1 . 19354 1 5 . 1 1 1 1 SER C C 13 175.080 0.300 . 1 . . . A 12 SER C . 19354 1 6 . 1 1 1 1 SER CA C 13 58.057 0.300 . 1 . . . A 12 SER CA . 19354 1 7 . 1 1 1 1 SER CB C 13 63.889 0.300 . 1 . . . A 12 SER CB . 19354 1 8 . 1 1 1 1 SER N N 15 118.102 0.300 . 1 . . . A 12 SER N . 19354 1 9 . 1 1 2 2 GLY H H 1 8.335 0.020 . 1 . . . A 13 GLY H . 19354 1 10 . 1 1 2 2 GLY HA2 H 1 3.816 0.020 . 2 . . . A 13 GLY HA2 . 19354 1 11 . 1 1 2 2 GLY HA3 H 1 3.816 0.020 . 2 . . . A 13 GLY HA3 . 19354 1 12 . 1 1 2 2 GLY C C 13 173.560 0.300 . 1 . . . A 13 GLY C . 19354 1 13 . 1 1 2 2 GLY CA C 13 45.111 0.300 . 1 . . . A 13 GLY CA . 19354 1 14 . 1 1 2 2 GLY N N 15 110.400 0.300 . 1 . . . A 13 GLY N . 19354 1 15 . 1 1 3 3 LEU H H 1 7.915 0.020 . 1 . . . A 14 LEU H . 19354 1 16 . 1 1 3 3 LEU HA H 1 4.378 0.020 . 1 . . . A 14 LEU HA . 19354 1 17 . 1 1 3 3 LEU HB2 H 1 1.495 0.020 . 2 . . . A 14 LEU HB2 . 19354 1 18 . 1 1 3 3 LEU HB3 H 1 1.366 0.020 . 2 . . . A 14 LEU HB3 . 19354 1 19 . 1 1 3 3 LEU HD11 H 1 0.666 0.020 . 2 . . . A 14 LEU HD11 . 19354 1 20 . 1 1 3 3 LEU HD12 H 1 0.666 0.020 . 2 . . . A 14 LEU HD12 . 19354 1 21 . 1 1 3 3 LEU HD13 H 1 0.666 0.020 . 2 . . . A 14 LEU HD13 . 19354 1 22 . 1 1 3 3 LEU HD21 H 1 0.666 0.020 . 2 . . . A 14 LEU HD21 . 19354 1 23 . 1 1 3 3 LEU HD22 H 1 0.666 0.020 . 2 . . . A 14 LEU HD22 . 19354 1 24 . 1 1 3 3 LEU HD23 H 1 0.666 0.020 . 2 . . . A 14 LEU HD23 . 19354 1 25 . 1 1 3 3 LEU C C 13 177.119 0.300 . 1 . . . A 14 LEU C . 19354 1 26 . 1 1 3 3 LEU CA C 13 54.838 0.300 . 1 . . . A 14 LEU CA . 19354 1 27 . 1 1 3 3 LEU CB C 13 42.429 0.300 . 1 . . . A 14 LEU CB . 19354 1 28 . 1 1 3 3 LEU CG C 13 27.222 0.300 . 1 . . . A 14 LEU CG . 19354 1 29 . 1 1 3 3 LEU CD1 C 13 23.463 0.300 . 2 . . . A 14 LEU CD1 . 19354 1 30 . 1 1 3 3 LEU N N 15 121.222 0.300 . 1 . . . A 14 LEU N . 19354 1 31 . 1 1 4 4 VAL H H 1 8.297 0.020 . 1 . . . A 15 VAL H . 19354 1 32 . 1 1 4 4 VAL HA H 1 4.335 0.020 . 1 . . . A 15 VAL HA . 19354 1 33 . 1 1 4 4 VAL HB H 1 1.867 0.020 . 1 . . . A 15 VAL HB . 19354 1 34 . 1 1 4 4 VAL HG11 H 1 0.755 0.020 . 2 . . . A 15 VAL HG11 . 19354 1 35 . 1 1 4 4 VAL HG12 H 1 0.755 0.020 . 2 . . . A 15 VAL HG12 . 19354 1 36 . 1 1 4 4 VAL HG13 H 1 0.755 0.020 . 2 . . . A 15 VAL HG13 . 19354 1 37 . 1 1 4 4 VAL HG21 H 1 0.734 0.020 . 2 . . . A 15 VAL HG21 . 19354 1 38 . 1 1 4 4 VAL HG22 H 1 0.734 0.020 . 2 . . . A 15 VAL HG22 . 19354 1 39 . 1 1 4 4 VAL HG23 H 1 0.734 0.020 . 2 . . . A 15 VAL HG23 . 19354 1 40 . 1 1 4 4 VAL C C 13 175.602 0.300 . 1 . . . A 15 VAL C . 19354 1 41 . 1 1 4 4 VAL CA C 13 59.375 0.300 . 1 . . . A 15 VAL CA . 19354 1 42 . 1 1 4 4 VAL CB C 13 33.197 0.300 . 1 . . . A 15 VAL CB . 19354 1 43 . 1 1 4 4 VAL CG1 C 13 20.610 0.300 . 2 . . . A 15 VAL CG1 . 19354 1 44 . 1 1 4 4 VAL CG2 C 13 20.218 0.300 . 2 . . . A 15 VAL CG2 . 19354 1 45 . 1 1 4 4 VAL N N 15 123.222 0.300 . 1 . . . A 15 VAL N . 19354 1 46 . 1 1 5 5 PRO HA H 1 4.379 0.020 . 1 . . . A 16 PRO HA . 19354 1 47 . 1 1 5 5 PRO HB2 H 1 2.131 0.020 . 2 . . . A 16 PRO HB2 . 19354 1 48 . 1 1 5 5 PRO HB3 H 1 2.131 0.020 . 2 . . . A 16 PRO HB3 . 19354 1 49 . 1 1 5 5 PRO HG2 H 1 1.788 0.020 . 2 . . . A 16 PRO HG2 . 19354 1 50 . 1 1 5 5 PRO HG3 H 1 1.788 0.020 . 2 . . . A 16 PRO HG3 . 19354 1 51 . 1 1 5 5 PRO HD2 H 1 3.672 0.020 . 2 . . . A 16 PRO HD2 . 19354 1 52 . 1 1 5 5 PRO HD3 H 1 3.672 0.020 . 2 . . . A 16 PRO HD3 . 19354 1 53 . 1 1 5 5 PRO CA C 13 62.925 0.300 . 1 . . . A 16 PRO CA . 19354 1 54 . 1 1 5 5 PRO CB C 13 32.043 0.300 . 1 . . . A 16 PRO CB . 19354 1 55 . 1 1 5 5 PRO CG C 13 27.031 0.300 . 1 . . . A 16 PRO CG . 19354 1 56 . 1 1 5 5 PRO CD C 13 50.834 0.300 . 1 . . . A 16 PRO CD . 19354 1 57 . 1 1 6 6 ARG H H 1 8.469 0.020 . 1 . . . A 17 ARG H . 19354 1 58 . 1 1 6 6 ARG HA H 1 4.219 0.020 . 1 . . . A 17 ARG HA . 19354 1 59 . 1 1 6 6 ARG HB2 H 1 1.688 0.020 . 2 . . . A 17 ARG HB2 . 19354 1 60 . 1 1 6 6 ARG HB3 H 1 1.688 0.020 . 2 . . . A 17 ARG HB3 . 19354 1 61 . 1 1 6 6 ARG HG2 H 1 1.485 0.020 . 2 . . . A 17 ARG HG2 . 19354 1 62 . 1 1 6 6 ARG HG3 H 1 1.485 0.020 . 2 . . . A 17 ARG HG3 . 19354 1 63 . 1 1 6 6 ARG HD2 H 1 3.028 0.020 . 2 . . . A 17 ARG HD2 . 19354 1 64 . 1 1 6 6 ARG HD3 H 1 3.028 0.020 . 2 . . . A 17 ARG HD3 . 19354 1 65 . 1 1 6 6 ARG HE H 1 7.198 0.020 . 1 . . . A 17 ARG HE . 19354 1 66 . 1 1 6 6 ARG C C 13 176.586 0.300 . 1 . . . A 17 ARG C . 19354 1 67 . 1 1 6 6 ARG CA C 13 55.479 0.300 . 1 . . . A 17 ARG CA . 19354 1 68 . 1 1 6 6 ARG CB C 13 30.889 0.300 . 1 . . . A 17 ARG CB . 19354 1 69 . 1 1 6 6 ARG CG C 13 30.815 0.300 . 1 . . . A 17 ARG CG . 19354 1 70 . 1 1 6 6 ARG CD C 13 43.224 0.300 . 1 . . . A 17 ARG CD . 19354 1 71 . 1 1 6 6 ARG N N 15 122.742 0.300 . 1 . . . A 17 ARG N . 19354 1 72 . 1 1 7 7 GLY H H 1 8.538 0.020 . 1 . . . A 18 GLY H . 19354 1 73 . 1 1 7 7 GLY HA2 H 1 3.933 0.020 . 2 . . . A 18 GLY HA2 . 19354 1 74 . 1 1 7 7 GLY HA3 H 1 3.750 0.020 . 2 . . . A 18 GLY HA3 . 19354 1 75 . 1 1 7 7 GLY C C 13 174.453 0.300 . 1 . . . A 18 GLY C . 19354 1 76 . 1 1 7 7 GLY CA C 13 45.670 0.300 . 1 . . . A 18 GLY CA . 19354 1 77 . 1 1 7 7 GLY N N 15 111.993 0.300 . 1 . . . A 18 GLY N . 19354 1 78 . 1 1 8 8 SER HA H 1 4.318 0.020 . 1 . . . A 19 SER HA . 19354 1 79 . 1 1 8 8 SER HB2 H 1 3.685 0.020 . 2 . . . A 19 SER HB2 . 19354 1 80 . 1 1 8 8 SER HB3 H 1 3.685 0.020 . 2 . . . A 19 SER HB3 . 19354 1 81 . 1 1 8 8 SER CA C 13 58.480 0.300 . 1 . . . A 19 SER CA . 19354 1 82 . 1 1 8 8 SER CB C 13 63.535 0.300 . 1 . . . A 19 SER CB . 19354 1 83 . 1 1 9 9 HIS H H 1 8.344 0.020 . 1 . . . A 20 HIS H . 19354 1 84 . 1 1 9 9 HIS HA H 1 4.678 0.020 . 1 . . . A 20 HIS HA . 19354 1 85 . 1 1 9 9 HIS HB2 H 1 3.096 0.020 . 2 . . . A 20 HIS HB2 . 19354 1 86 . 1 1 9 9 HIS HB3 H 1 2.960 0.020 . 2 . . . A 20 HIS HB3 . 19354 1 87 . 1 1 9 9 HIS HD2 H 1 6.971 0.020 . 1 . . . A 20 HIS HD2 . 19354 1 88 . 1 1 9 9 HIS HE1 H 1 7.694 0.020 . 1 . . . A 20 HIS HE1 . 19354 1 89 . 1 1 9 9 HIS C C 13 174.263 0.300 . 1 . . . A 20 HIS C . 19354 1 90 . 1 1 9 9 HIS CA C 13 55.889 0.300 . 1 . . . A 20 HIS CA . 19354 1 91 . 1 1 9 9 HIS CB C 13 32.027 0.300 . 1 . . . A 20 HIS CB . 19354 1 92 . 1 1 9 9 HIS CD2 C 13 120.436 0.300 . 1 . . . A 20 HIS CD2 . 19354 1 93 . 1 1 9 9 HIS CE1 C 13 138.640 0.300 . 1 . . . A 20 HIS CE1 . 19354 1 94 . 1 1 9 9 HIS N N 15 120.039 0.300 . 1 . . . A 20 HIS N . 19354 1 95 . 1 1 10 10 MET H H 1 8.587 0.020 . 1 . . . A 21 MET H . 19354 1 96 . 1 1 10 10 MET HA H 1 4.676 0.020 . 1 . . . A 21 MET HA . 19354 1 97 . 1 1 10 10 MET HB2 H 1 1.838 0.020 . 2 . . . A 21 MET HB2 . 19354 1 98 . 1 1 10 10 MET HB3 H 1 1.838 0.020 . 2 . . . A 21 MET HB3 . 19354 1 99 . 1 1 10 10 MET HG2 H 1 2.155 0.020 . 2 . . . A 21 MET HG2 . 19354 1 100 . 1 1 10 10 MET HG3 H 1 1.906 0.020 . 2 . . . A 21 MET HG3 . 19354 1 101 . 1 1 10 10 MET HE1 H 1 1.845 0.020 . 1 . . . A 21 MET HE1 . 19354 1 102 . 1 1 10 10 MET HE2 H 1 1.845 0.020 . 1 . . . A 21 MET HE2 . 19354 1 103 . 1 1 10 10 MET HE3 H 1 1.845 0.020 . 1 . . . A 21 MET HE3 . 19354 1 104 . 1 1 10 10 MET C C 13 174.808 0.300 . 1 . . . A 21 MET C . 19354 1 105 . 1 1 10 10 MET CA C 13 54.232 0.300 . 1 . . . A 21 MET CA . 19354 1 106 . 1 1 10 10 MET CB C 13 32.377 0.300 . 1 . . . A 21 MET CB . 19354 1 107 . 1 1 10 10 MET CG C 13 32.481 0.300 . 1 . . . A 21 MET CG . 19354 1 108 . 1 1 10 10 MET CE C 13 16.821 0.300 . 1 . . . A 21 MET CE . 19354 1 109 . 1 1 10 10 MET N N 15 120.453 0.300 . 1 . . . A 21 MET N . 19354 1 110 . 1 1 11 11 VAL H H 1 7.805 0.020 . 1 . . . A 22 VAL H . 19354 1 111 . 1 1 11 11 VAL HA H 1 5.297 0.020 . 1 . . . A 22 VAL HA . 19354 1 112 . 1 1 11 11 VAL HB H 1 1.461 0.020 . 1 . . . A 22 VAL HB . 19354 1 113 . 1 1 11 11 VAL HG11 H 1 0.422 0.020 . 1 . . . A 22 VAL HG11 . 19354 1 114 . 1 1 11 11 VAL HG12 H 1 0.422 0.020 . 1 . . . A 22 VAL HG12 . 19354 1 115 . 1 1 11 11 VAL HG13 H 1 0.422 0.020 . 1 . . . A 22 VAL HG13 . 19354 1 116 . 1 1 11 11 VAL HG21 H 1 -0.260 0.020 . 1 . . . A 22 VAL HG21 . 19354 1 117 . 1 1 11 11 VAL HG22 H 1 -0.260 0.020 . 1 . . . A 22 VAL HG22 . 19354 1 118 . 1 1 11 11 VAL HG23 H 1 -0.260 0.020 . 1 . . . A 22 VAL HG23 . 19354 1 119 . 1 1 11 11 VAL C C 13 175.218 0.300 . 1 . . . A 22 VAL C . 19354 1 120 . 1 1 11 11 VAL CA C 13 57.885 0.300 . 1 . . . A 22 VAL CA . 19354 1 121 . 1 1 11 11 VAL CB C 13 35.895 0.300 . 1 . . . A 22 VAL CB . 19354 1 122 . 1 1 11 11 VAL CG1 C 13 18.515 0.300 . 2 . . . A 22 VAL CG1 . 19354 1 123 . 1 1 11 11 VAL CG2 C 13 20.273 0.300 . 2 . . . A 22 VAL CG2 . 19354 1 124 . 1 1 11 11 VAL N N 15 112.794 0.300 . 1 . . . A 22 VAL N . 19354 1 125 . 1 1 12 12 ARG H H 1 8.430 0.020 . 1 . . . A 23 ARG H . 19354 1 126 . 1 1 12 12 ARG HA H 1 4.578 0.020 . 1 . . . A 23 ARG HA . 19354 1 127 . 1 1 12 12 ARG HB2 H 1 1.638 0.020 . 2 . . . A 23 ARG HB2 . 19354 1 128 . 1 1 12 12 ARG HB3 H 1 1.534 0.020 . 2 . . . A 23 ARG HB3 . 19354 1 129 . 1 1 12 12 ARG HG2 H 1 1.480 0.020 . 2 . . . A 23 ARG HG2 . 19354 1 130 . 1 1 12 12 ARG HG3 H 1 1.480 0.020 . 2 . . . A 23 ARG HG3 . 19354 1 131 . 1 1 12 12 ARG HD2 H 1 2.977 0.020 . 2 . . . A 23 ARG HD2 . 19354 1 132 . 1 1 12 12 ARG HD3 H 1 2.977 0.020 . 1 . . . A 23 ARG HD3 . 19354 1 133 . 1 1 12 12 ARG C C 13 174.128 0.300 . 1 . . . A 23 ARG C . 19354 1 134 . 1 1 12 12 ARG CA C 13 54.192 0.300 . 1 . . . A 23 ARG CA . 19354 1 135 . 1 1 12 12 ARG CB C 13 34.757 0.300 . 1 . . . A 23 ARG CB . 19354 1 136 . 1 1 12 12 ARG CG C 13 26.618 0.300 . 1 . . . A 23 ARG CG . 19354 1 137 . 1 1 12 12 ARG CD C 13 43.850 0.300 . 1 . . . A 23 ARG CD . 19354 1 138 . 1 1 12 12 ARG N N 15 117.854 0.300 . 1 . . . A 23 ARG N . 19354 1 139 . 1 1 13 13 ARG H H 1 8.569 0.020 . 1 . . . A 24 ARG H . 19354 1 140 . 1 1 13 13 ARG HA H 1 4.619 0.020 . 1 . . . A 24 ARG HA . 19354 1 141 . 1 1 13 13 ARG HB2 H 1 1.723 0.020 . 2 . . . A 24 ARG HB2 . 19354 1 142 . 1 1 13 13 ARG HB3 H 1 1.723 0.020 . 2 . . . A 24 ARG HB3 . 19354 1 143 . 1 1 13 13 ARG HG2 H 1 1.517 0.020 . 2 . . . A 24 ARG HG2 . 19354 1 144 . 1 1 13 13 ARG HG3 H 1 1.517 0.020 . 2 . . . A 24 ARG HG3 . 19354 1 145 . 1 1 13 13 ARG HD2 H 1 3.168 0.020 . 2 . . . A 24 ARG HD2 . 19354 1 146 . 1 1 13 13 ARG HD3 H 1 3.168 0.020 . 2 . . . A 24 ARG HD3 . 19354 1 147 . 1 1 13 13 ARG HE H 1 7.419 0.020 . 1 . . . A 24 ARG HE . 19354 1 148 . 1 1 13 13 ARG C C 13 176.265 0.300 . 1 . . . A 24 ARG C . 19354 1 149 . 1 1 13 13 ARG CA C 13 57.824 0.300 . 1 . . . A 24 ARG CA . 19354 1 150 . 1 1 13 13 ARG CB C 13 29.913 0.300 . 1 . . . A 24 ARG CB . 19354 1 151 . 1 1 13 13 ARG CG C 13 28.214 0.300 . 1 . . . A 24 ARG CG . 19354 1 152 . 1 1 13 13 ARG CD C 13 43.181 0.300 . 1 . . . A 24 ARG CD . 19354 1 153 . 1 1 13 13 ARG N N 15 124.928 0.300 . 1 . . . A 24 ARG N . 19354 1 154 . 1 1 14 14 ALA H H 1 8.082 0.020 . 1 . . . A 25 ALA H . 19354 1 155 . 1 1 14 14 ALA HA H 1 4.379 0.020 . 1 . . . A 25 ALA HA . 19354 1 156 . 1 1 14 14 ALA HB1 H 1 1.236 0.020 . 1 . . . A 25 ALA HB1 . 19354 1 157 . 1 1 14 14 ALA HB2 H 1 1.236 0.020 . 1 . . . A 25 ALA HB2 . 19354 1 158 . 1 1 14 14 ALA HB3 H 1 1.236 0.020 . 1 . . . A 25 ALA HB3 . 19354 1 159 . 1 1 14 14 ALA C C 13 174.173 0.300 . 1 . . . A 25 ALA C . 19354 1 160 . 1 1 14 14 ALA CA C 13 51.382 0.300 . 1 . . . A 25 ALA CA . 19354 1 161 . 1 1 14 14 ALA CB C 13 23.050 0.300 . 1 . . . A 25 ALA CB . 19354 1 162 . 1 1 14 14 ALA N N 15 127.390 0.300 . 1 . . . A 25 ALA N . 19354 1 163 . 1 1 15 15 ARG H H 1 8.133 0.020 . 1 . . . A 26 ARG H . 19354 1 164 . 1 1 15 15 ARG HA H 1 4.692 0.020 . 1 . . . A 26 ARG HA . 19354 1 165 . 1 1 15 15 ARG HB2 H 1 1.800 0.020 . 2 . . . A 26 ARG HB2 . 19354 1 166 . 1 1 15 15 ARG HB3 H 1 1.745 0.020 . 2 . . . A 26 ARG HB3 . 19354 1 167 . 1 1 15 15 ARG HG2 H 1 1.587 0.020 . 2 . . . A 26 ARG HG2 . 19354 1 168 . 1 1 15 15 ARG HG3 H 1 1.587 0.020 . 2 . . . A 26 ARG HG3 . 19354 1 169 . 1 1 15 15 ARG HD2 H 1 3.180 0.020 . 2 . . . A 26 ARG HD2 . 19354 1 170 . 1 1 15 15 ARG HD3 H 1 3.180 0.020 . 2 . . . A 26 ARG HD3 . 19354 1 171 . 1 1 15 15 ARG HE H 1 7.313 0.020 . 1 . . . A 26 ARG HE . 19354 1 172 . 1 1 15 15 ARG C C 13 177.847 0.300 . 1 . . . A 26 ARG C . 19354 1 173 . 1 1 15 15 ARG CA C 13 55.271 0.300 . 1 . . . A 26 ARG CA . 19354 1 174 . 1 1 15 15 ARG CB C 13 31.215 0.300 . 1 . . . A 26 ARG CB . 19354 1 175 . 1 1 15 15 ARG CG C 13 26.896 0.300 . 1 . . . A 26 ARG CG . 19354 1 176 . 1 1 15 15 ARG CD C 13 43.086 0.300 . 1 . . . A 26 ARG CD . 19354 1 177 . 1 1 15 15 ARG N N 15 116.820 0.300 . 1 . . . A 26 ARG N . 19354 1 178 . 1 1 16 16 CYS H H 1 9.709 0.020 . 1 . . . A 27 CYS H . 19354 1 179 . 1 1 16 16 CYS HA H 1 5.732 0.020 . 1 . . . A 27 CYS HA . 19354 1 180 . 1 1 16 16 CYS HB2 H 1 3.014 0.020 . 2 . . . A 27 CYS HB2 . 19354 1 181 . 1 1 16 16 CYS HB3 H 1 2.514 0.020 . 2 . . . A 27 CYS HB3 . 19354 1 182 . 1 1 16 16 CYS C C 13 175.288 0.300 . 1 . . . A 27 CYS C . 19354 1 183 . 1 1 16 16 CYS CA C 13 51.785 0.300 . 1 . . . A 27 CYS CA . 19354 1 184 . 1 1 16 16 CYS CB C 13 38.246 0.300 . 1 . . . A 27 CYS CB . 19354 1 185 . 1 1 16 16 CYS N N 15 126.567 0.300 . 1 . . . A 27 CYS N . 19354 1 186 . 1 1 17 17 TYR H H 1 8.870 0.020 . 1 . . . A 28 TYR H . 19354 1 187 . 1 1 17 17 TYR HA H 1 5.079 0.020 . 1 . . . A 28 TYR HA . 19354 1 188 . 1 1 17 17 TYR HB2 H 1 3.040 0.020 . 1 . . . A 28 TYR HB2 . 19354 1 189 . 1 1 17 17 TYR HB3 H 1 2.699 0.020 . 1 . . . A 28 TYR HB3 . 19354 1 190 . 1 1 17 17 TYR HD1 H 1 6.785 0.020 . 1 . . . A 28 TYR HD1 . 19354 1 191 . 1 1 17 17 TYR HD2 H 1 6.785 0.020 . 1 . . . A 28 TYR HD2 . 19354 1 192 . 1 1 17 17 TYR HE1 H 1 6.318 0.020 . 1 . . . A 28 TYR HE1 . 19354 1 193 . 1 1 17 17 TYR HE2 H 1 6.318 0.020 . 1 . . . A 28 TYR HE2 . 19354 1 194 . 1 1 17 17 TYR CA C 13 54.951 0.300 . 1 . . . A 28 TYR CA . 19354 1 195 . 1 1 17 17 TYR CB C 13 39.807 0.300 . 1 . . . A 28 TYR CB . 19354 1 196 . 1 1 17 17 TYR CD2 C 13 134.091 0.300 . 3 . . . A 28 TYR CD2 . 19354 1 197 . 1 1 17 17 TYR CE2 C 13 116.951 0.300 . 3 . . . A 28 TYR CE2 . 19354 1 198 . 1 1 17 17 TYR N N 15 120.309 0.300 . 1 . . . A 28 TYR N . 19354 1 199 . 1 1 18 18 PRO HA H 1 4.836 0.020 . 1 . . . A 29 PRO HA . 19354 1 200 . 1 1 18 18 PRO HB2 H 1 2.030 0.020 . 2 . . . A 29 PRO HB2 . 19354 1 201 . 1 1 18 18 PRO HB3 H 1 1.936 0.020 . 2 . . . A 29 PRO HB3 . 19354 1 202 . 1 1 18 18 PRO HG2 H 1 2.185 0.020 . 1 . . . A 29 PRO HG2 . 19354 1 203 . 1 1 18 18 PRO HG3 H 1 1.994 0.020 . 1 . . . A 29 PRO HG3 . 19354 1 204 . 1 1 18 18 PRO HD2 H 1 3.862 0.020 . 2 . . . A 29 PRO HD2 . 19354 1 205 . 1 1 18 18 PRO HD3 H 1 3.712 0.020 . 2 . . . A 29 PRO HD3 . 19354 1 206 . 1 1 18 18 PRO CA C 13 61.773 0.300 . 1 . . . A 29 PRO CA . 19354 1 207 . 1 1 18 18 PRO CB C 13 31.173 0.300 . 1 . . . A 29 PRO CB . 19354 1 208 . 1 1 18 18 PRO CG C 13 27.009 0.300 . 1 . . . A 29 PRO CG . 19354 1 209 . 1 1 18 18 PRO CD C 13 50.108 0.300 . 1 . . . A 29 PRO CD . 19354 1 210 . 1 1 19 19 THR H H 1 7.978 0.020 . 1 . . . A 30 THR H . 19354 1 211 . 1 1 19 19 THR HA H 1 4.253 0.020 . 1 . . . A 30 THR HA . 19354 1 212 . 1 1 19 19 THR HB H 1 4.041 0.020 . 1 . . . A 30 THR HB . 19354 1 213 . 1 1 19 19 THR HG21 H 1 0.885 0.020 . 1 . . . A 30 THR HG21 . 19354 1 214 . 1 1 19 19 THR HG22 H 1 0.885 0.020 . 1 . . . A 30 THR HG22 . 19354 1 215 . 1 1 19 19 THR HG23 H 1 0.885 0.020 . 1 . . . A 30 THR HG23 . 19354 1 216 . 1 1 19 19 THR C C 13 173.688 0.300 . 1 . . . A 30 THR C . 19354 1 217 . 1 1 19 19 THR CA C 13 61.324 0.300 . 1 . . . A 30 THR CA . 19354 1 218 . 1 1 19 19 THR CB C 13 70.191 0.300 . 1 . . . A 30 THR CB . 19354 1 219 . 1 1 19 19 THR CG2 C 13 21.227 0.300 . 1 . . . A 30 THR CG2 . 19354 1 220 . 1 1 19 19 THR N N 15 115.177 0.300 . 1 . . . A 30 THR N . 19354 1 221 . 1 1 20 20 SER H H 1 8.451 0.020 . 1 . . . A 31 SER H . 19354 1 222 . 1 1 20 20 SER HA H 1 4.702 0.020 . 1 . . . A 31 SER HA . 19354 1 223 . 1 1 20 20 SER HB2 H 1 4.058 0.020 . 2 . . . A 31 SER HB2 . 19354 1 224 . 1 1 20 20 SER HB3 H 1 3.811 0.020 . 2 . . . A 31 SER HB3 . 19354 1 225 . 1 1 20 20 SER C C 13 175.079 0.300 . 1 . . . A 31 SER C . 19354 1 226 . 1 1 20 20 SER CA C 13 57.057 0.300 . 1 . . . A 31 SER CA . 19354 1 227 . 1 1 20 20 SER CB C 13 66.020 0.300 . 1 . . . A 31 SER CB . 19354 1 228 . 1 1 20 20 SER N N 15 116.822 0.300 . 1 . . . A 31 SER N . 19354 1 229 . 1 1 21 21 ASN H H 1 8.802 0.020 . 1 . . . A 32 ASN H . 19354 1 230 . 1 1 21 21 ASN HA H 1 4.385 0.020 . 1 . . . A 32 ASN HA . 19354 1 231 . 1 1 21 21 ASN HB2 H 1 2.715 0.020 . 2 . . . A 32 ASN HB2 . 19354 1 232 . 1 1 21 21 ASN HB3 H 1 2.715 0.020 . 2 . . . A 32 ASN HB3 . 19354 1 233 . 1 1 21 21 ASN HD21 H 1 7.564 0.020 . 2 . . . A 32 ASN HD21 . 19354 1 234 . 1 1 21 21 ASN HD22 H 1 6.893 0.020 . 2 . . . A 32 ASN HD22 . 19354 1 235 . 1 1 21 21 ASN C C 13 175.705 0.300 . 1 . . . A 32 ASN C . 19354 1 236 . 1 1 21 21 ASN CA C 13 55.564 0.300 . 1 . . . A 32 ASN CA . 19354 1 237 . 1 1 21 21 ASN CB C 13 37.637 0.300 . 1 . . . A 32 ASN CB . 19354 1 238 . 1 1 21 21 ASN N N 15 118.803 0.300 . 1 . . . A 32 ASN N . 19354 1 239 . 1 1 21 21 ASN ND2 N 15 112.721 0.300 . 1 . . . A 32 ASN ND2 . 19354 1 240 . 1 1 22 22 ALA H H 1 8.004 0.020 . 1 . . . A 33 ALA H . 19354 1 241 . 1 1 22 22 ALA HA H 1 4.262 0.020 . 1 . . . A 33 ALA HA . 19354 1 242 . 1 1 22 22 ALA HB1 H 1 1.299 0.020 . 1 . . . A 33 ALA HB1 . 19354 1 243 . 1 1 22 22 ALA HB2 H 1 1.299 0.020 . 1 . . . A 33 ALA HB2 . 19354 1 244 . 1 1 22 22 ALA HB3 H 1 1.299 0.020 . 1 . . . A 33 ALA HB3 . 19354 1 245 . 1 1 22 22 ALA C C 13 179.229 0.300 . 1 . . . A 33 ALA C . 19354 1 246 . 1 1 22 22 ALA CA C 13 53.087 0.300 . 1 . . . A 33 ALA CA . 19354 1 247 . 1 1 22 22 ALA CB C 13 19.563 0.300 . 1 . . . A 33 ALA CB . 19354 1 248 . 1 1 22 22 ALA N N 15 118.571 0.300 . 1 . . . A 33 ALA N . 19354 1 249 . 1 1 23 23 THR H H 1 7.551 0.020 . 1 . . . A 34 THR H . 19354 1 250 . 1 1 23 23 THR HA H 1 4.581 0.020 . 1 . . . A 34 THR HA . 19354 1 251 . 1 1 23 23 THR HB H 1 4.653 0.020 . 1 . . . A 34 THR HB . 19354 1 252 . 1 1 23 23 THR HG21 H 1 0.945 0.020 . 1 . . . A 34 THR HG21 . 19354 1 253 . 1 1 23 23 THR HG22 H 1 0.945 0.020 . 1 . . . A 34 THR HG22 . 19354 1 254 . 1 1 23 23 THR HG23 H 1 0.945 0.020 . 1 . . . A 34 THR HG23 . 19354 1 255 . 1 1 23 23 THR C C 13 175.334 0.300 . 1 . . . A 34 THR C . 19354 1 256 . 1 1 23 23 THR CA C 13 60.586 0.300 . 1 . . . A 34 THR CA . 19354 1 257 . 1 1 23 23 THR CB C 13 70.195 0.300 . 1 . . . A 34 THR CB . 19354 1 258 . 1 1 23 23 THR CG2 C 13 21.698 0.300 . 1 . . . A 34 THR CG2 . 19354 1 259 . 1 1 23 23 THR N N 15 106.312 0.300 . 1 . . . A 34 THR N . 19354 1 260 . 1 1 24 24 ASN H H 1 7.897 0.020 . 1 . . . A 35 ASN H . 19354 1 261 . 1 1 24 24 ASN HA H 1 4.528 0.020 . 1 . . . A 35 ASN HA . 19354 1 262 . 1 1 24 24 ASN HB2 H 1 3.194 0.020 . 2 . . . A 35 ASN HB2 . 19354 1 263 . 1 1 24 24 ASN HB3 H 1 2.633 0.020 . 2 . . . A 35 ASN HB3 . 19354 1 264 . 1 1 24 24 ASN HD21 H 1 7.285 0.020 . 2 . . . A 35 ASN HD21 . 19354 1 265 . 1 1 24 24 ASN HD22 H 1 6.414 0.020 . 2 . . . A 35 ASN HD22 . 19354 1 266 . 1 1 24 24 ASN C C 13 174.221 0.300 . 1 . . . A 35 ASN C . 19354 1 267 . 1 1 24 24 ASN CA C 13 52.790 0.300 . 1 . . . A 35 ASN CA . 19354 1 268 . 1 1 24 24 ASN CB C 13 36.768 0.300 . 1 . . . A 35 ASN CB . 19354 1 269 . 1 1 24 24 ASN N N 15 122.599 0.300 . 1 . . . A 35 ASN N . 19354 1 270 . 1 1 24 24 ASN ND2 N 15 106.804 0.300 . 1 . . . A 35 ASN ND2 . 19354 1 271 . 1 1 25 25 THR H H 1 7.490 0.020 . 1 . . . A 36 THR H . 19354 1 272 . 1 1 25 25 THR HA H 1 4.979 0.020 . 1 . . . A 36 THR HA . 19354 1 273 . 1 1 25 25 THR HB H 1 3.486 0.020 . 1 . . . A 36 THR HB . 19354 1 274 . 1 1 25 25 THR HG21 H 1 0.841 0.020 . 1 . . . A 36 THR HG21 . 19354 1 275 . 1 1 25 25 THR HG22 H 1 0.841 0.020 . 1 . . . A 36 THR HG22 . 19354 1 276 . 1 1 25 25 THR HG23 H 1 0.841 0.020 . 1 . . . A 36 THR HG23 . 19354 1 277 . 1 1 25 25 THR C C 13 173.651 0.300 . 1 . . . A 36 THR C . 19354 1 278 . 1 1 25 25 THR CA C 13 59.011 0.300 . 1 . . . A 36 THR CA . 19354 1 279 . 1 1 25 25 THR CB C 13 72.745 0.300 . 1 . . . A 36 THR CB . 19354 1 280 . 1 1 25 25 THR CG2 C 13 20.913 0.300 . 1 . . . A 36 THR CG2 . 19354 1 281 . 1 1 25 25 THR N N 15 107.151 0.300 . 1 . . . A 36 THR N . 19354 1 282 . 1 1 26 26 CYS H H 1 8.632 0.020 . 1 . . . A 37 CYS H . 19354 1 283 . 1 1 26 26 CYS HA H 1 4.095 0.020 . 1 . . . A 37 CYS HA . 19354 1 284 . 1 1 26 26 CYS HB2 H 1 2.919 0.020 . 2 . . . A 37 CYS HB2 . 19354 1 285 . 1 1 26 26 CYS HB3 H 1 2.802 0.020 . 2 . . . A 37 CYS HB3 . 19354 1 286 . 1 1 26 26 CYS C C 13 173.688 0.300 . 1 . . . A 37 CYS C . 19354 1 287 . 1 1 26 26 CYS CA C 13 55.634 0.300 . 1 . . . A 37 CYS CA . 19354 1 288 . 1 1 26 26 CYS CB C 13 45.854 0.300 . 1 . . . A 37 CYS CB . 19354 1 289 . 1 1 26 26 CYS N N 15 118.809 0.300 . 1 . . . A 37 CYS N . 19354 1 290 . 1 1 27 27 PHE H H 1 9.018 0.020 . 1 . . . A 38 PHE H . 19354 1 291 . 1 1 27 27 PHE HA H 1 4.275 0.020 . 1 . . . A 38 PHE HA . 19354 1 292 . 1 1 27 27 PHE HB2 H 1 3.301 0.020 . 2 . . . A 38 PHE HB2 . 19354 1 293 . 1 1 27 27 PHE HB3 H 1 3.021 0.020 . 2 . . . A 38 PHE HB3 . 19354 1 294 . 1 1 27 27 PHE HD1 H 1 6.883 0.020 . 3 . . . A 38 PHE HD1 . 19354 1 295 . 1 1 27 27 PHE HD2 H 1 6.883 0.020 . 3 . . . A 38 PHE HD2 . 19354 1 296 . 1 1 27 27 PHE HE1 H 1 6.886 0.020 . 3 . . . A 38 PHE HE1 . 19354 1 297 . 1 1 27 27 PHE HE2 H 1 6.886 0.020 . 3 . . . A 38 PHE HE2 . 19354 1 298 . 1 1 27 27 PHE HZ H 1 7.334 0.020 . 1 . . . A 38 PHE HZ . 19354 1 299 . 1 1 27 27 PHE C C 13 176.261 0.300 . 1 . . . A 38 PHE C . 19354 1 300 . 1 1 27 27 PHE CA C 13 59.067 0.300 . 1 . . . A 38 PHE CA . 19354 1 301 . 1 1 27 27 PHE CB C 13 36.576 0.300 . 1 . . . A 38 PHE CB . 19354 1 302 . 1 1 27 27 PHE CD2 C 13 132.752 0.300 . 3 . . . A 38 PHE CD2 . 19354 1 303 . 1 1 27 27 PHE CE2 C 13 130.730 0.300 . 3 . . . A 38 PHE CE2 . 19354 1 304 . 1 1 27 27 PHE CZ C 13 131.440 0.300 . 1 . . . A 38 PHE CZ . 19354 1 305 . 1 1 27 27 PHE N N 15 128.190 0.300 . 1 . . . A 38 PHE N . 19354 1 306 . 1 1 28 28 GLY H H 1 8.566 0.020 . 1 . . . A 39 GLY H . 19354 1 307 . 1 1 28 28 GLY HA2 H 1 4.239 0.020 . 2 . . . A 39 GLY HA2 . 19354 1 308 . 1 1 28 28 GLY HA3 H 1 3.561 0.020 . 2 . . . A 39 GLY HA3 . 19354 1 309 . 1 1 28 28 GLY C C 13 174.173 0.300 . 1 . . . A 39 GLY C . 19354 1 310 . 1 1 28 28 GLY CA C 13 45.112 0.300 . 1 . . . A 39 GLY CA . 19354 1 311 . 1 1 28 28 GLY N N 15 104.504 0.300 . 1 . . . A 39 GLY N . 19354 1 312 . 1 1 29 29 SER H H 1 7.533 0.020 . 1 . . . A 40 SER H . 19354 1 313 . 1 1 29 29 SER HA H 1 4.529 0.020 . 1 . . . A 40 SER HA . 19354 1 314 . 1 1 29 29 SER HB2 H 1 3.730 0.020 . 2 . . . A 40 SER HB2 . 19354 1 315 . 1 1 29 29 SER HB3 H 1 3.730 0.020 . 2 . . . A 40 SER HB3 . 19354 1 316 . 1 1 29 29 SER C C 13 173.873 0.300 . 1 . . . A 40 SER C . 19354 1 317 . 1 1 29 29 SER CA C 13 57.436 0.300 . 1 . . . A 40 SER CA . 19354 1 318 . 1 1 29 29 SER CB C 13 63.718 0.300 . 1 . . . A 40 SER CB . 19354 1 319 . 1 1 29 29 SER N N 15 116.201 0.300 . 1 . . . A 40 SER N . 19354 1 320 . 1 1 30 30 LYS H H 1 8.768 0.020 . 1 . . . A 41 LYS H . 19354 1 321 . 1 1 30 30 LYS HA H 1 4.056 0.020 . 1 . . . A 41 LYS HA . 19354 1 322 . 1 1 30 30 LYS HB2 H 1 1.538 0.020 . 2 . . . A 41 LYS HB2 . 19354 1 323 . 1 1 30 30 LYS HB3 H 1 1.538 0.020 . 2 . . . A 41 LYS HB3 . 19354 1 324 . 1 1 30 30 LYS HG2 H 1 1.198 0.020 . 2 . . . A 41 LYS HG2 . 19354 1 325 . 1 1 30 30 LYS HG3 H 1 1.198 0.020 . 2 . . . A 41 LYS HG3 . 19354 1 326 . 1 1 30 30 LYS HD2 H 1 1.417 0.020 . 2 . . . A 41 LYS HD2 . 19354 1 327 . 1 1 30 30 LYS HD3 H 1 1.417 0.020 . 2 . . . A 41 LYS HD3 . 19354 1 328 . 1 1 30 30 LYS HE2 H 1 2.785 0.020 . 2 . . . A 41 LYS HE2 . 19354 1 329 . 1 1 30 30 LYS HE3 H 1 2.785 0.020 . 2 . . . A 41 LYS HE3 . 19354 1 330 . 1 1 30 30 LYS C C 13 176.632 0.300 . 1 . . . A 41 LYS C . 19354 1 331 . 1 1 30 30 LYS CA C 13 56.409 0.300 . 1 . . . A 41 LYS CA . 19354 1 332 . 1 1 30 30 LYS CB C 13 32.169 0.300 . 1 . . . A 41 LYS CB . 19354 1 333 . 1 1 30 30 LYS CG C 13 24.365 0.300 . 1 . . . A 41 LYS CG . 19354 1 334 . 1 1 30 30 LYS CD C 13 28.605 0.300 . 1 . . . A 41 LYS CD . 19354 1 335 . 1 1 30 30 LYS CE C 13 41.628 0.300 . 1 . . . A 41 LYS CE . 19354 1 336 . 1 1 30 30 LYS N N 15 127.456 0.300 . 1 . . . A 41 LYS N . 19354 1 337 . 1 1 31 31 LEU H H 1 8.304 0.020 . 1 . . . A 42 LEU H . 19354 1 338 . 1 1 31 31 LEU HA H 1 4.120 0.020 . 1 . . . A 42 LEU HA . 19354 1 339 . 1 1 31 31 LEU HB2 H 1 1.323 0.020 . 2 . . . A 42 LEU HB2 . 19354 1 340 . 1 1 31 31 LEU HB3 H 1 0.205 0.020 . 2 . . . A 42 LEU HB3 . 19354 1 341 . 1 1 31 31 LEU HG H 1 1.239 0.020 . 1 . . . A 42 LEU HG . 19354 1 342 . 1 1 31 31 LEU HD11 H 1 0.630 0.020 . 2 . . . A 42 LEU HD11 . 19354 1 343 . 1 1 31 31 LEU HD12 H 1 0.630 0.020 . 2 . . . A 42 LEU HD12 . 19354 1 344 . 1 1 31 31 LEU HD13 H 1 0.630 0.020 . 2 . . . A 42 LEU HD13 . 19354 1 345 . 1 1 31 31 LEU HD21 H 1 0.626 0.020 . 2 . . . A 42 LEU HD21 . 19354 1 346 . 1 1 31 31 LEU HD22 H 1 0.626 0.020 . 2 . . . A 42 LEU HD22 . 19354 1 347 . 1 1 31 31 LEU HD23 H 1 0.626 0.020 . 2 . . . A 42 LEU HD23 . 19354 1 348 . 1 1 31 31 LEU CA C 13 52.010 0.300 . 1 . . . A 42 LEU CA . 19354 1 349 . 1 1 31 31 LEU CB C 13 40.680 0.300 . 1 . . . A 42 LEU CB . 19354 1 350 . 1 1 31 31 LEU CG C 13 26.621 0.300 . 1 . . . A 42 LEU CG . 19354 1 351 . 1 1 31 31 LEU CD1 C 13 25.453 0.300 . 2 . . . A 42 LEU CD1 . 19354 1 352 . 1 1 31 31 LEU CD2 C 13 22.219 0.300 . 2 . . . A 42 LEU CD2 . 19354 1 353 . 1 1 31 31 LEU N N 15 128.016 0.300 . 1 . . . A 42 LEU N . 19354 1 354 . 1 1 32 32 PRO HA H 1 4.453 0.020 . 1 . . . A 43 PRO HA . 19354 1 355 . 1 1 32 32 PRO HB2 H 1 2.145 0.020 . 2 . . . A 43 PRO HB2 . 19354 1 356 . 1 1 32 32 PRO HB3 H 1 1.926 0.020 . 2 . . . A 43 PRO HB3 . 19354 1 357 . 1 1 32 32 PRO HG2 H 1 1.950 0.020 . 2 . . . A 43 PRO HG2 . 19354 1 358 . 1 1 32 32 PRO HG3 H 1 1.776 0.020 . 2 . . . A 43 PRO HG3 . 19354 1 359 . 1 1 32 32 PRO HD2 H 1 3.530 0.020 . 2 . . . A 43 PRO HD2 . 19354 1 360 . 1 1 32 32 PRO HD3 H 1 3.027 0.020 . 2 . . . A 43 PRO HD3 . 19354 1 361 . 1 1 32 32 PRO CA C 13 62.807 0.300 . 1 . . . A 43 PRO CA . 19354 1 362 . 1 1 32 32 PRO CB C 13 29.625 0.300 . 1 . . . A 43 PRO CB . 19354 1 363 . 1 1 32 32 PRO CG C 13 26.537 0.300 . 1 . . . A 43 PRO CG . 19354 1 364 . 1 1 32 32 PRO CD C 13 49.961 0.300 . 1 . . . A 43 PRO CD . 19354 1 365 . 1 1 33 33 TYR H H 1 6.311 0.020 . 1 . . . A 44 TYR H . 19354 1 366 . 1 1 33 33 TYR HA H 1 4.689 0.020 . 1 . . . A 44 TYR HA . 19354 1 367 . 1 1 33 33 TYR HB2 H 1 3.173 0.020 . 2 . . . A 44 TYR HB2 . 19354 1 368 . 1 1 33 33 TYR HB3 H 1 3.026 0.020 . 2 . . . A 44 TYR HB3 . 19354 1 369 . 1 1 33 33 TYR HD1 H 1 6.836 0.020 . 3 . . . A 44 TYR HD1 . 19354 1 370 . 1 1 33 33 TYR HD2 H 1 6.836 0.020 . 3 . . . A 44 TYR HD2 . 19354 1 371 . 1 1 33 33 TYR HE1 H 1 6.525 0.020 . 3 . . . A 44 TYR HE1 . 19354 1 372 . 1 1 33 33 TYR HE2 H 1 6.525 0.020 . 3 . . . A 44 TYR HE2 . 19354 1 373 . 1 1 33 33 TYR C C 13 175.239 0.300 . 1 . . . A 44 TYR C . 19354 1 374 . 1 1 33 33 TYR CA C 13 53.718 0.300 . 1 . . . A 44 TYR CA . 19354 1 375 . 1 1 33 33 TYR CB C 13 38.637 0.300 . 1 . . . A 44 TYR CB . 19354 1 376 . 1 1 33 33 TYR CD1 C 13 134.566 0.300 . 3 . . . A 44 TYR CD1 . 19354 1 377 . 1 1 33 33 TYR CE1 C 13 117.894 0.300 . 3 . . . A 44 TYR CE1 . 19354 1 378 . 1 1 33 33 TYR N N 15 116.871 0.300 . 1 . . . A 44 TYR N . 19354 1 379 . 1 1 34 34 GLU H H 1 8.591 0.020 . 1 . . . A 45 GLU H . 19354 1 380 . 1 1 34 34 GLU HA H 1 4.138 0.020 . 1 . . . A 45 GLU HA . 19354 1 381 . 1 1 34 34 GLU HB2 H 1 1.864 0.020 . 2 . . . A 45 GLU HB2 . 19354 1 382 . 1 1 34 34 GLU HB3 H 1 1.864 0.020 . 2 . . . A 45 GLU HB3 . 19354 1 383 . 1 1 34 34 GLU HG2 H 1 2.135 0.020 . 2 . . . A 45 GLU HG2 . 19354 1 384 . 1 1 34 34 GLU HG3 H 1 2.135 0.020 . 2 . . . A 45 GLU HG3 . 19354 1 385 . 1 1 34 34 GLU C C 13 176.282 0.300 . 1 . . . A 45 GLU C . 19354 1 386 . 1 1 34 34 GLU CA C 13 57.502 0.300 . 1 . . . A 45 GLU CA . 19354 1 387 . 1 1 34 34 GLU CB C 13 31.105 0.300 . 1 . . . A 45 GLU CB . 19354 1 388 . 1 1 34 34 GLU CG C 13 36.100 0.300 . 1 . . . A 45 GLU CG . 19354 1 389 . 1 1 34 34 GLU N N 15 118.221 0.300 . 1 . . . A 45 GLU N . 19354 1 390 . 1 1 35 35 LEU H H 1 8.176 0.020 . 1 . . . A 46 LEU H . 19354 1 391 . 1 1 35 35 LEU HA H 1 4.974 0.020 . 1 . . . A 46 LEU HA . 19354 1 392 . 1 1 35 35 LEU HB2 H 1 2.217 0.020 . 2 . . . A 46 LEU HB2 . 19354 1 393 . 1 1 35 35 LEU HB3 H 1 0.963 0.020 . 2 . . . A 46 LEU HB3 . 19354 1 394 . 1 1 35 35 LEU HG H 1 1.507 0.020 . 1 . . . A 46 LEU HG . 19354 1 395 . 1 1 35 35 LEU HD11 H 1 0.713 0.020 . 2 . . . A 46 LEU HD11 . 19354 1 396 . 1 1 35 35 LEU HD12 H 1 0.713 0.020 . 2 . . . A 46 LEU HD12 . 19354 1 397 . 1 1 35 35 LEU HD13 H 1 0.713 0.020 . 2 . . . A 46 LEU HD13 . 19354 1 398 . 1 1 35 35 LEU HD21 H 1 0.588 0.020 . 2 . . . A 46 LEU HD21 . 19354 1 399 . 1 1 35 35 LEU HD22 H 1 0.588 0.020 . 2 . . . A 46 LEU HD22 . 19354 1 400 . 1 1 35 35 LEU HD23 H 1 0.588 0.020 . 2 . . . A 46 LEU HD23 . 19354 1 401 . 1 1 35 35 LEU C C 13 175.420 0.300 . 1 . . . A 46 LEU C . 19354 1 402 . 1 1 35 35 LEU CA C 13 53.202 0.300 . 1 . . . A 46 LEU CA . 19354 1 403 . 1 1 35 35 LEU CB C 13 43.587 0.300 . 1 . . . A 46 LEU CB . 19354 1 404 . 1 1 35 35 LEU CG C 13 27.153 0.300 . 1 . . . A 46 LEU CG . 19354 1 405 . 1 1 35 35 LEU CD1 C 13 25.498 0.300 . 2 . . . A 46 LEU CD1 . 19354 1 406 . 1 1 35 35 LEU CD2 C 13 23.139 0.300 . 2 . . . A 46 LEU CD2 . 19354 1 407 . 1 1 35 35 LEU N N 15 119.826 0.300 . 1 . . . A 46 LEU N . 19354 1 408 . 1 1 36 36 SER H H 1 7.924 0.020 . 1 . . . A 47 SER H . 19354 1 409 . 1 1 36 36 SER HA H 1 5.020 0.020 . 1 . . . A 47 SER HA . 19354 1 410 . 1 1 36 36 SER HB2 H 1 3.208 0.020 . 2 . . . A 47 SER HB2 . 19354 1 411 . 1 1 36 36 SER HB3 H 1 2.838 0.020 . 2 . . . A 47 SER HB3 . 19354 1 412 . 1 1 36 36 SER C C 13 173.833 0.300 . 1 . . . A 47 SER C . 19354 1 413 . 1 1 36 36 SER CA C 13 53.006 0.300 . 1 . . . A 47 SER CA . 19354 1 414 . 1 1 36 36 SER CB C 13 64.691 0.300 . 1 . . . A 47 SER CB . 19354 1 415 . 1 1 36 36 SER N N 15 111.561 0.300 . 1 . . . A 47 SER N . 19354 1 416 . 1 1 37 37 SER H H 1 8.628 0.020 . 1 . . . A 48 SER H . 19354 1 417 . 1 1 37 37 SER HA H 1 4.841 0.020 . 1 . . . A 48 SER HA . 19354 1 418 . 1 1 37 37 SER HB2 H 1 3.016 0.020 . 2 . . . A 48 SER HB2 . 19354 1 419 . 1 1 37 37 SER HB3 H 1 3.016 0.020 . 2 . . . A 48 SER HB3 . 19354 1 420 . 1 1 37 37 SER C C 13 175.602 0.300 . 1 . . . A 48 SER C . 19354 1 421 . 1 1 37 37 SER CA C 13 57.388 0.300 . 1 . . . A 48 SER CA . 19354 1 422 . 1 1 37 37 SER CB C 13 66.333 0.300 . 1 . . . A 48 SER CB . 19354 1 423 . 1 1 37 37 SER N N 15 111.459 0.300 . 1 . . . A 48 SER N . 19354 1 424 . 1 1 38 38 LEU H H 1 9.519 0.020 . 1 . . . A 49 LEU H . 19354 1 425 . 1 1 38 38 LEU HA H 1 4.383 0.020 . 1 . . . A 49 LEU HA . 19354 1 426 . 1 1 38 38 LEU HB2 H 1 1.551 0.020 . 2 . . . A 49 LEU HB2 . 19354 1 427 . 1 1 38 38 LEU HB3 H 1 1.551 0.020 . 2 . . . A 49 LEU HB3 . 19354 1 428 . 1 1 38 38 LEU HG H 1 1.294 0.020 . 1 . . . A 49 LEU HG . 19354 1 429 . 1 1 38 38 LEU HD11 H 1 0.413 0.020 . 2 . . . A 49 LEU HD11 . 19354 1 430 . 1 1 38 38 LEU HD12 H 1 0.413 0.020 . 2 . . . A 49 LEU HD12 . 19354 1 431 . 1 1 38 38 LEU HD13 H 1 0.413 0.020 . 2 . . . A 49 LEU HD13 . 19354 1 432 . 1 1 38 38 LEU HD21 H 1 0.552 0.020 . 2 . . . A 49 LEU HD21 . 19354 1 433 . 1 1 38 38 LEU HD22 H 1 0.552 0.020 . 2 . . . A 49 LEU HD22 . 19354 1 434 . 1 1 38 38 LEU HD23 H 1 0.552 0.020 . 2 . . . A 49 LEU HD23 . 19354 1 435 . 1 1 38 38 LEU C C 13 179.571 0.300 . 1 . . . A 49 LEU C . 19354 1 436 . 1 1 38 38 LEU CA C 13 56.032 0.300 . 1 . . . A 49 LEU CA . 19354 1 437 . 1 1 38 38 LEU CB C 13 41.904 0.300 . 1 . . . A 49 LEU CB . 19354 1 438 . 1 1 38 38 LEU CG C 13 26.938 0.300 . 1 . . . A 49 LEU CG . 19354 1 439 . 1 1 38 38 LEU CD1 C 13 25.003 0.300 . 2 . . . A 49 LEU CD1 . 19354 1 440 . 1 1 38 38 LEU CD2 C 13 24.013 0.300 . 2 . . . A 49 LEU CD2 . 19354 1 441 . 1 1 38 38 LEU N N 15 128.995 0.300 . 1 . . . A 49 LEU N . 19354 1 442 . 1 1 39 39 ASP H H 1 8.191 0.020 . 1 . . . A 50 ASP H . 19354 1 443 . 1 1 39 39 ASP HA H 1 4.168 0.020 . 1 . . . A 50 ASP HA . 19354 1 444 . 1 1 39 39 ASP HB2 H 1 2.754 0.020 . 2 . . . A 50 ASP HB2 . 19354 1 445 . 1 1 39 39 ASP HB3 H 1 2.418 0.020 . 2 . . . A 50 ASP HB3 . 19354 1 446 . 1 1 39 39 ASP C C 13 176.486 0.300 . 1 . . . A 50 ASP C . 19354 1 447 . 1 1 39 39 ASP CA C 13 58.352 0.300 . 1 . . . A 50 ASP CA . 19354 1 448 . 1 1 39 39 ASP CB C 13 41.259 0.300 . 1 . . . A 50 ASP CB . 19354 1 449 . 1 1 39 39 ASP N N 15 115.013 0.300 . 1 . . . A 50 ASP N . 19354 1 450 . 1 1 40 40 LEU H H 1 8.732 0.020 . 1 . . . A 51 LEU H . 19354 1 451 . 1 1 40 40 LEU HA H 1 4.329 0.020 . 1 . . . A 51 LEU HA . 19354 1 452 . 1 1 40 40 LEU HB2 H 1 2.141 0.020 . 2 . . . A 51 LEU HB2 . 19354 1 453 . 1 1 40 40 LEU HB3 H 1 1.470 0.020 . 2 . . . A 51 LEU HB3 . 19354 1 454 . 1 1 40 40 LEU HG H 1 1.056 0.020 . 1 . . . A 51 LEU HG . 19354 1 455 . 1 1 40 40 LEU HD11 H 1 0.645 0.020 . 2 . . . A 51 LEU HD11 . 19354 1 456 . 1 1 40 40 LEU HD12 H 1 0.645 0.020 . 2 . . . A 51 LEU HD12 . 19354 1 457 . 1 1 40 40 LEU HD13 H 1 0.645 0.020 . 2 . . . A 51 LEU HD13 . 19354 1 458 . 1 1 40 40 LEU HD21 H 1 0.645 0.020 . 2 . . . A 51 LEU HD21 . 19354 1 459 . 1 1 40 40 LEU HD22 H 1 0.645 0.020 . 2 . . . A 51 LEU HD22 . 19354 1 460 . 1 1 40 40 LEU HD23 H 1 0.645 0.020 . 2 . . . A 51 LEU HD23 . 19354 1 461 . 1 1 40 40 LEU C C 13 175.556 0.300 . 1 . . . A 51 LEU C . 19354 1 462 . 1 1 40 40 LEU CA C 13 54.483 0.300 . 1 . . . A 51 LEU CA . 19354 1 463 . 1 1 40 40 LEU CB C 13 39.219 0.300 . 1 . . . A 51 LEU CB . 19354 1 464 . 1 1 40 40 LEU CG C 13 26.318 0.300 . 1 . . . A 51 LEU CG . 19354 1 465 . 1 1 40 40 LEU CD1 C 13 21.976 0.300 . 2 . . . A 51 LEU CD1 . 19354 1 466 . 1 1 40 40 LEU N N 15 118.298 0.300 . 1 . . . A 51 LEU N . 19354 1 467 . 1 1 41 41 THR H H 1 7.574 0.020 . 1 . . . A 52 THR H . 19354 1 468 . 1 1 41 41 THR HA H 1 2.784 0.020 . 1 . . . A 52 THR HA . 19354 1 469 . 1 1 41 41 THR HB H 1 2.647 0.020 . 1 . . . A 52 THR HB . 19354 1 470 . 1 1 41 41 THR HG21 H 1 0.328 0.020 . 1 . . . A 52 THR HG21 . 19354 1 471 . 1 1 41 41 THR HG22 H 1 0.328 0.020 . 1 . . . A 52 THR HG22 . 19354 1 472 . 1 1 41 41 THR HG23 H 1 0.328 0.020 . 1 . . . A 52 THR HG23 . 19354 1 473 . 1 1 41 41 THR C C 13 172.812 0.300 . 1 . . . A 52 THR C . 19354 1 474 . 1 1 41 41 THR CA C 13 58.759 0.300 . 1 . . . A 52 THR CA . 19354 1 475 . 1 1 41 41 THR CB C 13 71.985 0.300 . 1 . . . A 52 THR CB . 19354 1 476 . 1 1 41 41 THR CG2 C 13 20.435 0.300 . 1 . . . A 52 THR CG2 . 19354 1 477 . 1 1 41 41 THR N N 15 106.427 0.300 . 1 . . . A 52 THR N . 19354 1 478 . 1 1 42 42 ASP HA H 1 4.398 0.020 . 1 . . . A 53 ASP HA . 19354 1 479 . 1 1 42 42 ASP HB2 H 1 2.459 0.020 . 1 . . . A 53 ASP HB2 . 19354 1 480 . 1 1 42 42 ASP HB3 H 1 2.076 0.020 . 1 . . . A 53 ASP HB3 . 19354 1 481 . 1 1 42 42 ASP CA C 13 52.757 0.300 . 1 . . . A 53 ASP CA . 19354 1 482 . 1 1 42 42 ASP CB C 13 40.737 0.300 . 1 . . . A 53 ASP CB . 19354 1 483 . 1 1 43 43 PHE H H 1 7.575 0.020 . 1 . . . A 54 PHE H . 19354 1 484 . 1 1 43 43 PHE HA H 1 4.498 0.020 . 1 . . . A 54 PHE HA . 19354 1 485 . 1 1 43 43 PHE HB2 H 1 3.109 0.020 . 2 . . . A 54 PHE HB2 . 19354 1 486 . 1 1 43 43 PHE HB3 H 1 2.648 0.020 . 2 . . . A 54 PHE HB3 . 19354 1 487 . 1 1 43 43 PHE HD1 H 1 7.151 0.020 . 3 . . . A 54 PHE HD1 . 19354 1 488 . 1 1 43 43 PHE HD2 H 1 7.151 0.020 . 3 . . . A 54 PHE HD2 . 19354 1 489 . 1 1 43 43 PHE HE1 H 1 7.407 0.020 . 3 . . . A 54 PHE HE1 . 19354 1 490 . 1 1 43 43 PHE HE2 H 1 7.407 0.020 . 3 . . . A 54 PHE HE2 . 19354 1 491 . 1 1 43 43 PHE HZ H 1 6.935 0.020 . 1 . . . A 54 PHE HZ . 19354 1 492 . 1 1 43 43 PHE C C 13 176.169 0.300 . 1 . . . A 54 PHE C . 19354 1 493 . 1 1 43 43 PHE CA C 13 57.477 0.300 . 1 . . . A 54 PHE CA . 19354 1 494 . 1 1 43 43 PHE CB C 13 39.270 0.300 . 1 . . . A 54 PHE CB . 19354 1 495 . 1 1 43 43 PHE CD1 C 13 131.518 0.300 . 3 . . . A 54 PHE CD1 . 19354 1 496 . 1 1 43 43 PHE CE1 C 13 132.594 0.300 . 3 . . . A 54 PHE CE1 . 19354 1 497 . 1 1 43 43 PHE CZ C 13 131.862 0.300 . 1 . . . A 54 PHE CZ . 19354 1 498 . 1 1 43 43 PHE N N 15 117.929 0.300 . 1 . . . A 54 PHE N . 19354 1 499 . 1 1 44 44 HIS H H 1 9.230 0.020 . 1 . . . A 55 HIS H . 19354 1 500 . 1 1 44 44 HIS HA H 1 4.585 0.020 . 1 . . . A 55 HIS HA . 19354 1 501 . 1 1 44 44 HIS HB2 H 1 3.258 0.020 . 2 . . . A 55 HIS HB2 . 19354 1 502 . 1 1 44 44 HIS HB3 H 1 3.071 0.020 . 2 . . . A 55 HIS HB3 . 19354 1 503 . 1 1 44 44 HIS HD2 H 1 7.098 0.020 . 1 . . . A 55 HIS HD2 . 19354 1 504 . 1 1 44 44 HIS HE1 H 1 8.077 0.020 . 1 . . . A 55 HIS HE1 . 19354 1 505 . 1 1 44 44 HIS C C 13 175.080 0.300 . 1 . . . A 55 HIS C . 19354 1 506 . 1 1 44 44 HIS CA C 13 56.439 0.300 . 1 . . . A 55 HIS CA . 19354 1 507 . 1 1 44 44 HIS CB C 13 31.104 0.300 . 1 . . . A 55 HIS CB . 19354 1 508 . 1 1 44 44 HIS CD2 C 13 119.685 0.300 . 1 . . . A 55 HIS CD2 . 19354 1 509 . 1 1 44 44 HIS CE1 C 13 137.643 0.300 . 1 . . . A 55 HIS CE1 . 19354 1 510 . 1 1 44 44 HIS N N 15 115.333 0.300 . 1 . . . A 55 HIS N . 19354 1 511 . 1 1 45 45 THR H H 1 7.343 0.020 . 1 . . . A 56 THR H . 19354 1 512 . 1 1 45 45 THR HA H 1 4.528 0.020 . 1 . . . A 56 THR HA . 19354 1 513 . 1 1 45 45 THR HB H 1 4.387 0.020 . 1 . . . A 56 THR HB . 19354 1 514 . 1 1 45 45 THR HG21 H 1 1.096 0.020 . 1 . . . A 56 THR HG21 . 19354 1 515 . 1 1 45 45 THR HG22 H 1 1.096 0.020 . 1 . . . A 56 THR HG22 . 19354 1 516 . 1 1 45 45 THR HG23 H 1 1.096 0.020 . 1 . . . A 56 THR HG23 . 19354 1 517 . 1 1 45 45 THR C C 13 173.696 0.300 . 1 . . . A 56 THR C . 19354 1 518 . 1 1 45 45 THR CA C 13 58.725 0.300 . 1 . . . A 56 THR CA . 19354 1 519 . 1 1 45 45 THR CB C 13 72.851 0.300 . 1 . . . A 56 THR CB . 19354 1 520 . 1 1 45 45 THR CG2 C 13 21.622 0.300 . 1 . . . A 56 THR CG2 . 19354 1 521 . 1 1 45 45 THR N N 15 106.891 0.300 . 1 . . . A 56 THR N . 19354 1 522 . 1 1 46 46 GLU H H 1 8.841 0.020 . 1 . . . A 57 GLU H . 19354 1 523 . 1 1 46 46 GLU HA H 1 3.611 0.020 . 1 . . . A 57 GLU HA . 19354 1 524 . 1 1 46 46 GLU HB2 H 1 1.797 0.020 . 2 . . . A 57 GLU HB2 . 19354 1 525 . 1 1 46 46 GLU HB3 H 1 1.528 0.020 . 2 . . . A 57 GLU HB3 . 19354 1 526 . 1 1 46 46 GLU HG2 H 1 1.890 0.020 . 2 . . . A 57 GLU HG2 . 19354 1 527 . 1 1 46 46 GLU HG3 H 1 1.617 0.020 . 2 . . . A 57 GLU HG3 . 19354 1 528 . 1 1 46 46 GLU C C 13 178.417 0.300 . 1 . . . A 57 GLU C . 19354 1 529 . 1 1 46 46 GLU CA C 13 59.380 0.300 . 1 . . . A 57 GLU CA . 19354 1 530 . 1 1 46 46 GLU CB C 13 29.873 0.300 . 1 . . . A 57 GLU CB . 19354 1 531 . 1 1 46 46 GLU CG C 13 36.482 0.300 . 1 . . . A 57 GLU CG . 19354 1 532 . 1 1 46 46 GLU N N 15 121.798 0.300 . 1 . . . A 57 GLU N . 19354 1 533 . 1 1 47 47 LYS H H 1 8.307 0.020 . 1 . . . A 58 LYS H . 19354 1 534 . 1 1 47 47 LYS HA H 1 3.903 0.020 . 1 . . . A 58 LYS HA . 19354 1 535 . 1 1 47 47 LYS HB2 H 1 1.751 0.020 . 2 . . . A 58 LYS HB2 . 19354 1 536 . 1 1 47 47 LYS HB3 H 1 1.751 0.020 . 2 . . . A 58 LYS HB3 . 19354 1 537 . 1 1 47 47 LYS HG2 H 1 1.288 0.020 . 2 . . . A 58 LYS HG2 . 19354 1 538 . 1 1 47 47 LYS HG3 H 1 1.214 0.020 . 2 . . . A 58 LYS HG3 . 19354 1 539 . 1 1 47 47 LYS HD2 H 1 1.599 0.020 . 2 . . . A 58 LYS HD2 . 19354 1 540 . 1 1 47 47 LYS HD3 H 1 1.599 0.020 . 2 . . . A 58 LYS HD3 . 19354 1 541 . 1 1 47 47 LYS HE2 H 1 2.897 0.020 . 2 . . . A 58 LYS HE2 . 19354 1 542 . 1 1 47 47 LYS HE3 H 1 2.897 0.020 . 2 . . . A 58 LYS HE3 . 19354 1 543 . 1 1 47 47 LYS C C 13 177.745 0.300 . 1 . . . A 58 LYS C . 19354 1 544 . 1 1 47 47 LYS CA C 13 59.470 0.300 . 1 . . . A 58 LYS CA . 19354 1 545 . 1 1 47 47 LYS CB C 13 32.130 0.300 . 1 . . . A 58 LYS CB . 19354 1 546 . 1 1 47 47 LYS CG C 13 24.437 0.300 . 1 . . . A 58 LYS CG . 19354 1 547 . 1 1 47 47 LYS CD C 13 28.386 0.300 . 1 . . . A 58 LYS CD . 19354 1 548 . 1 1 47 47 LYS CE C 13 42.016 0.300 . 1 . . . A 58 LYS CE . 19354 1 549 . 1 1 47 47 LYS N N 15 121.091 0.300 . 1 . . . A 58 LYS N . 19354 1 550 . 1 1 48 48 GLU H H 1 7.537 0.020 . 1 . . . A 59 GLU H . 19354 1 551 . 1 1 48 48 GLU HA H 1 3.852 0.020 . 1 . . . A 59 GLU HA . 19354 1 552 . 1 1 48 48 GLU HB2 H 1 1.948 0.020 . 2 . . . A 59 GLU HB2 . 19354 1 553 . 1 1 48 48 GLU HB3 H 1 1.948 0.020 . 2 . . . A 59 GLU HB3 . 19354 1 554 . 1 1 48 48 GLU HG2 H 1 2.143 0.020 . 2 . . . A 59 GLU HG2 . 19354 1 555 . 1 1 48 48 GLU HG3 H 1 2.039 0.020 . 2 . . . A 59 GLU HG3 . 19354 1 556 . 1 1 48 48 GLU C C 13 178.051 0.300 . 1 . . . A 59 GLU C . 19354 1 557 . 1 1 48 48 GLU CA C 13 59.094 0.300 . 1 . . . A 59 GLU CA . 19354 1 558 . 1 1 48 48 GLU CB C 13 30.468 0.300 . 1 . . . A 59 GLU CB . 19354 1 559 . 1 1 48 48 GLU CG C 13 36.919 0.300 . 1 . . . A 59 GLU CG . 19354 1 560 . 1 1 48 48 GLU N N 15 117.790 0.300 . 1 . . . A 59 GLU N . 19354 1 561 . 1 1 49 49 LEU H H 1 7.321 0.020 . 1 . . . A 60 LEU H . 19354 1 562 . 1 1 49 49 LEU HA H 1 3.211 0.020 . 1 . . . A 60 LEU HA . 19354 1 563 . 1 1 49 49 LEU HB2 H 1 1.810 0.020 . 2 . . . A 60 LEU HB2 . 19354 1 564 . 1 1 49 49 LEU HB3 H 1 1.569 0.020 . 2 . . . A 60 LEU HB3 . 19354 1 565 . 1 1 49 49 LEU HG H 1 1.295 0.020 . 1 . . . A 60 LEU HG . 19354 1 566 . 1 1 49 49 LEU HD11 H 1 1.021 0.020 . 2 . . . A 60 LEU HD11 . 19354 1 567 . 1 1 49 49 LEU HD12 H 1 1.021 0.020 . 2 . . . A 60 LEU HD12 . 19354 1 568 . 1 1 49 49 LEU HD13 H 1 1.021 0.020 . 2 . . . A 60 LEU HD13 . 19354 1 569 . 1 1 49 49 LEU HD21 H 1 1.021 0.020 . 2 . . . A 60 LEU HD21 . 19354 1 570 . 1 1 49 49 LEU HD22 H 1 1.021 0.020 . 2 . . . A 60 LEU HD22 . 19354 1 571 . 1 1 49 49 LEU HD23 H 1 1.021 0.020 . 2 . . . A 60 LEU HD23 . 19354 1 572 . 1 1 49 49 LEU C C 13 178.070 0.300 . 1 . . . A 60 LEU C . 19354 1 573 . 1 1 49 49 LEU CA C 13 59.007 0.300 . 1 . . . A 60 LEU CA . 19354 1 574 . 1 1 49 49 LEU CB C 13 42.750 0.300 . 1 . . . A 60 LEU CB . 19354 1 575 . 1 1 49 49 LEU CG C 13 27.001 0.300 . 1 . . . A 60 LEU CG . 19354 1 576 . 1 1 49 49 LEU CD1 C 13 24.927 0.300 . 2 . . . A 60 LEU CD1 . 19354 1 577 . 1 1 49 49 LEU N N 15 118.763 0.300 . 1 . . . A 60 LEU N . 19354 1 578 . 1 1 50 50 ASN H H 1 8.335 0.020 . 1 . . . A 61 ASN H . 19354 1 579 . 1 1 50 50 ASN HA H 1 4.127 0.020 . 1 . . . A 61 ASN HA . 19354 1 580 . 1 1 50 50 ASN HB2 H 1 2.714 0.020 . 2 . . . A 61 ASN HB2 . 19354 1 581 . 1 1 50 50 ASN HB3 H 1 2.529 0.020 . 2 . . . A 61 ASN HB3 . 19354 1 582 . 1 1 50 50 ASN HD21 H 1 7.498 0.020 . 2 . . . A 61 ASN HD21 . 19354 1 583 . 1 1 50 50 ASN HD22 H 1 6.842 0.020 . 2 . . . A 61 ASN HD22 . 19354 1 584 . 1 1 50 50 ASN C C 13 177.689 0.300 . 1 . . . A 61 ASN C . 19354 1 585 . 1 1 50 50 ASN CA C 13 57.310 0.300 . 1 . . . A 61 ASN CA . 19354 1 586 . 1 1 50 50 ASN CB C 13 39.288 0.300 . 1 . . . A 61 ASN CB . 19354 1 587 . 1 1 50 50 ASN N N 15 116.987 0.300 . 1 . . . A 61 ASN N . 19354 1 588 . 1 1 50 50 ASN ND2 N 15 112.590 0.300 . 1 . . . A 61 ASN ND2 . 19354 1 589 . 1 1 51 51 ASP H H 1 8.376 0.020 . 1 . . . A 62 ASP H . 19354 1 590 . 1 1 51 51 ASP HA H 1 4.306 0.020 . 1 . . . A 62 ASP HA . 19354 1 591 . 1 1 51 51 ASP HB2 H 1 2.629 0.020 . 2 . . . A 62 ASP HB2 . 19354 1 592 . 1 1 51 51 ASP HB3 H 1 2.510 0.020 . 2 . . . A 62 ASP HB3 . 19354 1 593 . 1 1 51 51 ASP C C 13 178.868 0.300 . 1 . . . A 62 ASP C . 19354 1 594 . 1 1 51 51 ASP CA C 13 57.510 0.300 . 1 . . . A 62 ASP CA . 19354 1 595 . 1 1 51 51 ASP CB C 13 39.596 0.300 . 1 . . . A 62 ASP CB . 19354 1 596 . 1 1 51 51 ASP N N 15 120.935 0.300 . 1 . . . A 62 ASP N . 19354 1 597 . 1 1 52 52 LYS H H 1 7.748 0.020 . 1 . . . A 63 LYS H . 19354 1 598 . 1 1 52 52 LYS HA H 1 4.168 0.020 . 1 . . . A 63 LYS HA . 19354 1 599 . 1 1 52 52 LYS HB2 H 1 1.780 0.020 . 2 . . . A 63 LYS HB2 . 19354 1 600 . 1 1 52 52 LYS HB3 H 1 1.780 0.020 . 2 . . . A 63 LYS HB3 . 19354 1 601 . 1 1 52 52 LYS HG2 H 1 1.171 0.020 . 2 . . . A 63 LYS HG2 . 19354 1 602 . 1 1 52 52 LYS HG3 H 1 1.171 0.020 . 2 . . . A 63 LYS HG3 . 19354 1 603 . 1 1 52 52 LYS HD2 H 1 1.726 0.020 . 2 . . . A 63 LYS HD2 . 19354 1 604 . 1 1 52 52 LYS HD3 H 1 1.726 0.020 . 2 . . . A 63 LYS HD3 . 19354 1 605 . 1 1 52 52 LYS HE2 H 1 2.938 0.020 . 2 . . . A 63 LYS HE2 . 19354 1 606 . 1 1 52 52 LYS HE3 H 1 2.938 0.020 . 2 . . . A 63 LYS HE3 . 19354 1 607 . 1 1 52 52 LYS C C 13 179.458 0.300 . 1 . . . A 63 LYS C . 19354 1 608 . 1 1 52 52 LYS CA C 13 55.698 0.300 . 1 . . . A 63 LYS CA . 19354 1 609 . 1 1 52 52 LYS CB C 13 31.082 0.300 . 1 . . . A 63 LYS CB . 19354 1 610 . 1 1 52 52 LYS CG C 13 24.521 0.300 . 1 . . . A 63 LYS CG . 19354 1 611 . 1 1 52 52 LYS CD C 13 28.082 0.300 . 1 . . . A 63 LYS CD . 19354 1 612 . 1 1 52 52 LYS CE C 13 41.937 0.300 . 1 . . . A 63 LYS CE . 19354 1 613 . 1 1 52 52 LYS N N 15 119.626 0.300 . 1 . . . A 63 LYS N . 19354 1 614 . 1 1 53 53 LEU H H 1 8.221 0.020 . 1 . . . A 64 LEU H . 19354 1 615 . 1 1 53 53 LEU HA H 1 3.688 0.020 . 1 . . . A 64 LEU HA . 19354 1 616 . 1 1 53 53 LEU HB2 H 1 1.661 0.020 . 2 . . . A 64 LEU HB2 . 19354 1 617 . 1 1 53 53 LEU HB3 H 1 1.339 0.020 . 2 . . . A 64 LEU HB3 . 19354 1 618 . 1 1 53 53 LEU HG H 1 1.130 0.020 . 1 . . . A 64 LEU HG . 19354 1 619 . 1 1 53 53 LEU HD11 H 1 0.392 0.020 . 2 . . . A 64 LEU HD11 . 19354 1 620 . 1 1 53 53 LEU HD12 H 1 0.392 0.020 . 2 . . . A 64 LEU HD12 . 19354 1 621 . 1 1 53 53 LEU HD13 H 1 0.392 0.020 . 2 . . . A 64 LEU HD13 . 19354 1 622 . 1 1 53 53 LEU HD21 H 1 0.046 0.020 . 2 . . . A 64 LEU HD21 . 19354 1 623 . 1 1 53 53 LEU HD22 H 1 0.046 0.020 . 2 . . . A 64 LEU HD22 . 19354 1 624 . 1 1 53 53 LEU HD23 H 1 0.046 0.020 . 2 . . . A 64 LEU HD23 . 19354 1 625 . 1 1 53 53 LEU C C 13 178.732 0.300 . 1 . . . A 64 LEU C . 19354 1 626 . 1 1 53 53 LEU CA C 13 57.722 0.300 . 1 . . . A 64 LEU CA . 19354 1 627 . 1 1 53 53 LEU CB C 13 41.236 0.300 . 1 . . . A 64 LEU CB . 19354 1 628 . 1 1 53 53 LEU CG C 13 25.852 0.300 . 1 . . . A 64 LEU CG . 19354 1 629 . 1 1 53 53 LEU CD1 C 13 25.602 0.300 . 2 . . . A 64 LEU CD1 . 19354 1 630 . 1 1 53 53 LEU CD2 C 13 22.655 0.300 . 2 . . . A 64 LEU CD2 . 19354 1 631 . 1 1 53 53 LEU N N 15 120.255 0.300 . 1 . . . A 64 LEU N . 19354 1 632 . 1 1 54 54 ASN H H 1 7.482 0.020 . 1 . . . A 65 ASN H . 19354 1 633 . 1 1 54 54 ASN HA H 1 4.580 0.020 . 1 . . . A 65 ASN HA . 19354 1 634 . 1 1 54 54 ASN HB2 H 1 2.914 0.020 . 2 . . . A 65 ASN HB2 . 19354 1 635 . 1 1 54 54 ASN HB3 H 1 2.864 0.020 . 2 . . . A 65 ASN HB3 . 19354 1 636 . 1 1 54 54 ASN HD21 H 1 7.775 0.020 . 2 . . . A 65 ASN HD21 . 19354 1 637 . 1 1 54 54 ASN HD22 H 1 6.846 0.020 . 2 . . . A 65 ASN HD22 . 19354 1 638 . 1 1 54 54 ASN C C 13 178.394 0.300 . 1 . . . A 65 ASN C . 19354 1 639 . 1 1 54 54 ASN CA C 13 55.628 0.300 . 1 . . . A 65 ASN CA . 19354 1 640 . 1 1 54 54 ASN CB C 13 38.269 0.300 . 1 . . . A 65 ASN CB . 19354 1 641 . 1 1 54 54 ASN N N 15 113.630 0.300 . 1 . . . A 65 ASN N . 19354 1 642 . 1 1 54 54 ASN ND2 N 15 113.685 0.300 . 1 . . . A 65 ASN ND2 . 19354 1 643 . 1 1 55 55 ASP H H 1 7.834 0.020 . 1 . . . A 66 ASP H . 19354 1 644 . 1 1 55 55 ASP HA H 1 4.482 0.020 . 1 . . . A 66 ASP HA . 19354 1 645 . 1 1 55 55 ASP HB2 H 1 2.866 0.020 . 2 . . . A 66 ASP HB2 . 19354 1 646 . 1 1 55 55 ASP HB3 H 1 2.455 0.020 . 2 . . . A 66 ASP HB3 . 19354 1 647 . 1 1 55 55 ASP C C 13 179.095 0.300 . 1 . . . A 66 ASP C . 19354 1 648 . 1 1 55 55 ASP CA C 13 56.623 0.300 . 1 . . . A 66 ASP CA . 19354 1 649 . 1 1 55 55 ASP CB C 13 39.883 0.300 . 1 . . . A 66 ASP CB . 19354 1 650 . 1 1 55 55 ASP N N 15 120.683 0.300 . 1 . . . A 66 ASP N . 19354 1 651 . 1 1 56 56 TYR H H 1 8.132 0.020 . 1 . . . A 67 TYR H . 19354 1 652 . 1 1 56 56 TYR HA H 1 3.984 0.020 . 1 . . . A 67 TYR HA . 19354 1 653 . 1 1 56 56 TYR HB2 H 1 3.380 0.020 . 2 . . . A 67 TYR HB2 . 19354 1 654 . 1 1 56 56 TYR HB3 H 1 3.100 0.020 . 2 . . . A 67 TYR HB3 . 19354 1 655 . 1 1 56 56 TYR HD1 H 1 7.330 0.020 . 3 . . . A 67 TYR HD1 . 19354 1 656 . 1 1 56 56 TYR HD2 H 1 7.330 0.020 . 3 . . . A 67 TYR HD2 . 19354 1 657 . 1 1 56 56 TYR HE1 H 1 6.750 0.020 . 3 . . . A 67 TYR HE1 . 19354 1 658 . 1 1 56 56 TYR HE2 H 1 6.750 0.020 . 3 . . . A 67 TYR HE2 . 19354 1 659 . 1 1 56 56 TYR C C 13 176.554 0.300 . 1 . . . A 67 TYR C . 19354 1 660 . 1 1 56 56 TYR CA C 13 62.142 0.300 . 1 . . . A 67 TYR CA . 19354 1 661 . 1 1 56 56 TYR CB C 13 37.436 0.300 . 1 . . . A 67 TYR CB . 19354 1 662 . 1 1 56 56 TYR CD2 C 13 133.432 0.300 . 3 . . . A 67 TYR CD2 . 19354 1 663 . 1 1 56 56 TYR CE2 C 13 118.373 0.300 . 3 . . . A 67 TYR CE2 . 19354 1 664 . 1 1 56 56 TYR N N 15 116.512 0.300 . 1 . . . A 67 TYR N . 19354 1 665 . 1 1 57 57 TYR H H 1 7.558 0.020 . 1 . . . A 68 TYR H . 19354 1 666 . 1 1 57 57 TYR HA H 1 3.632 0.020 . 1 . . . A 68 TYR HA . 19354 1 667 . 1 1 57 57 TYR HB2 H 1 2.851 0.020 . 2 . . . A 68 TYR HB2 . 19354 1 668 . 1 1 57 57 TYR HB3 H 1 2.851 0.020 . 2 . . . A 68 TYR HB3 . 19354 1 669 . 1 1 57 57 TYR HD1 H 1 7.174 0.020 . 3 . . . A 68 TYR HD1 . 19354 1 670 . 1 1 57 57 TYR HD2 H 1 7.174 0.020 . 3 . . . A 68 TYR HD2 . 19354 1 671 . 1 1 57 57 TYR HE1 H 1 6.895 0.020 . 3 . . . A 68 TYR HE1 . 19354 1 672 . 1 1 57 57 TYR HE2 H 1 6.895 0.020 . 3 . . . A 68 TYR HE2 . 19354 1 673 . 1 1 57 57 TYR C C 13 177.915 0.300 . 1 . . . A 68 TYR C . 19354 1 674 . 1 1 57 57 TYR CA C 13 61.395 0.300 . 1 . . . A 68 TYR CA . 19354 1 675 . 1 1 57 57 TYR CB C 13 37.345 0.300 . 1 . . . A 68 TYR CB . 19354 1 676 . 1 1 57 57 TYR CD1 C 13 133.470 0.300 . 3 . . . A 68 TYR CD1 . 19354 1 677 . 1 1 57 57 TYR CE1 C 13 118.363 0.300 . 3 . . . A 68 TYR CE1 . 19354 1 678 . 1 1 57 57 TYR N N 15 118.786 0.300 . 1 . . . A 68 TYR N . 19354 1 679 . 1 1 58 58 ALA H H 1 7.453 0.020 . 1 . . . A 69 ALA H . 19354 1 680 . 1 1 58 58 ALA HA H 1 3.935 0.020 . 1 . . . A 69 ALA HA . 19354 1 681 . 1 1 58 58 ALA HB1 H 1 1.354 0.020 . 1 . . . A 69 ALA HB1 . 19354 1 682 . 1 1 58 58 ALA HB2 H 1 1.354 0.020 . 1 . . . A 69 ALA HB2 . 19354 1 683 . 1 1 58 58 ALA HB3 H 1 1.354 0.020 . 1 . . . A 69 ALA HB3 . 19354 1 684 . 1 1 58 58 ALA C C 13 179.390 0.300 . 1 . . . A 69 ALA C . 19354 1 685 . 1 1 58 58 ALA CA C 13 54.015 0.300 . 1 . . . A 69 ALA CA . 19354 1 686 . 1 1 58 58 ALA CB C 13 18.529 0.300 . 1 . . . A 69 ALA CB . 19354 1 687 . 1 1 58 58 ALA N N 15 120.715 0.300 . 1 . . . A 69 ALA N . 19354 1 688 . 1 1 59 59 LEU H H 1 7.764 0.020 . 1 . . . A 70 LEU H . 19354 1 689 . 1 1 59 59 LEU HA H 1 3.765 0.020 . 1 . . . A 70 LEU HA . 19354 1 690 . 1 1 59 59 LEU HB2 H 1 2.069 0.020 . 2 . . . A 70 LEU HB2 . 19354 1 691 . 1 1 59 59 LEU HB3 H 1 1.570 0.020 . 2 . . . A 70 LEU HB3 . 19354 1 692 . 1 1 59 59 LEU HG H 1 1.641 0.020 . 1 . . . A 70 LEU HG . 19354 1 693 . 1 1 59 59 LEU HD11 H 1 0.868 0.020 . 2 . . . A 70 LEU HD11 . 19354 1 694 . 1 1 59 59 LEU HD12 H 1 0.868 0.020 . 2 . . . A 70 LEU HD12 . 19354 1 695 . 1 1 59 59 LEU HD13 H 1 0.868 0.020 . 2 . . . A 70 LEU HD13 . 19354 1 696 . 1 1 59 59 LEU HD21 H 1 0.670 0.020 . 2 . . . A 70 LEU HD21 . 19354 1 697 . 1 1 59 59 LEU HD22 H 1 0.670 0.020 . 2 . . . A 70 LEU HD22 . 19354 1 698 . 1 1 59 59 LEU HD23 H 1 0.670 0.020 . 2 . . . A 70 LEU HD23 . 19354 1 699 . 1 1 59 59 LEU C C 13 177.280 0.300 . 1 . . . A 70 LEU C . 19354 1 700 . 1 1 59 59 LEU CA C 13 56.634 0.300 . 1 . . . A 70 LEU CA . 19354 1 701 . 1 1 59 59 LEU CB C 13 41.045 0.300 . 1 . . . A 70 LEU CB . 19354 1 702 . 1 1 59 59 LEU CG C 13 28.196 0.300 . 1 . . . A 70 LEU CG . 19354 1 703 . 1 1 59 59 LEU CD1 C 13 26.081 0.300 . 2 . . . A 70 LEU CD1 . 19354 1 704 . 1 1 59 59 LEU CD2 C 13 23.773 0.300 . 2 . . . A 70 LEU CD2 . 19354 1 705 . 1 1 59 59 LEU N N 15 117.212 0.300 . 1 . . . A 70 LEU N . 19354 1 706 . 1 1 60 60 LYS H H 1 7.001 0.020 . 1 . . . A 71 LYS H . 19354 1 707 . 1 1 60 60 LYS HA H 1 3.039 0.020 . 1 . . . A 71 LYS HA . 19354 1 708 . 1 1 60 60 LYS HB2 H 1 0.896 0.020 . 2 . . . A 71 LYS HB2 . 19354 1 709 . 1 1 60 60 LYS HB3 H 1 0.818 0.020 . 2 . . . A 71 LYS HB3 . 19354 1 710 . 1 1 60 60 LYS HG2 H 1 0.127 0.020 . 2 . . . A 71 LYS HG2 . 19354 1 711 . 1 1 60 60 LYS HG3 H 1 0.047 0.020 . 2 . . . A 71 LYS HG3 . 19354 1 712 . 1 1 60 60 LYS HD2 H 1 1.077 0.020 . 2 . . . A 71 LYS HD2 . 19354 1 713 . 1 1 60 60 LYS HD3 H 1 1.077 0.020 . 2 . . . A 71 LYS HD3 . 19354 1 714 . 1 1 60 60 LYS HE2 H 1 2.529 0.020 . 2 . . . A 71 LYS HE2 . 19354 1 715 . 1 1 60 60 LYS HE3 H 1 2.460 0.020 . 2 . . . A 71 LYS HE3 . 19354 1 716 . 1 1 60 60 LYS C C 13 177.121 0.300 . 1 . . . A 71 LYS C . 19354 1 717 . 1 1 60 60 LYS CA C 13 58.865 0.300 . 1 . . . A 71 LYS CA . 19354 1 718 . 1 1 60 60 LYS CB C 13 31.247 0.300 . 1 . . . A 71 LYS CB . 19354 1 719 . 1 1 60 60 LYS CG C 13 23.834 0.300 . 1 . . . A 71 LYS CG . 19354 1 720 . 1 1 60 60 LYS CD C 13 28.957 0.300 . 1 . . . A 71 LYS CD . 19354 1 721 . 1 1 60 60 LYS CE C 13 41.183 0.300 . 1 . . . A 71 LYS CE . 19354 1 722 . 1 1 60 60 LYS N N 15 118.756 0.300 . 1 . . . A 71 LYS N . 19354 1 723 . 1 1 61 61 HIS H H 1 6.973 0.020 . 1 . . . A 72 HIS H . 19354 1 724 . 1 1 61 61 HIS HA H 1 4.304 0.020 . 1 . . . A 72 HIS HA . 19354 1 725 . 1 1 61 61 HIS HB2 H 1 3.129 0.020 . 2 . . . A 72 HIS HB2 . 19354 1 726 . 1 1 61 61 HIS HB3 H 1 2.868 0.020 . 2 . . . A 72 HIS HB3 . 19354 1 727 . 1 1 61 61 HIS HD2 H 1 7.035 0.020 . 1 . . . A 72 HIS HD2 . 19354 1 728 . 1 1 61 61 HIS HE1 H 1 7.623 0.020 . 1 . . . A 72 HIS HE1 . 19354 1 729 . 1 1 61 61 HIS C C 13 174.232 0.300 . 1 . . . A 72 HIS C . 19354 1 730 . 1 1 61 61 HIS CA C 13 57.245 0.300 . 1 . . . A 72 HIS CA . 19354 1 731 . 1 1 61 61 HIS CB C 13 30.221 0.300 . 1 . . . A 72 HIS CB . 19354 1 732 . 1 1 61 61 HIS CD2 C 13 120.468 0.300 . 1 . . . A 72 HIS CD2 . 19354 1 733 . 1 1 61 61 HIS CE1 C 13 138.791 0.300 . 1 . . . A 72 HIS CE1 . 19354 1 734 . 1 1 61 61 HIS N N 15 113.331 0.300 . 1 . . . A 72 HIS N . 19354 1 735 . 1 1 62 62 VAL H H 1 7.821 0.020 . 1 . . . A 73 VAL H . 19354 1 736 . 1 1 62 62 VAL HA H 1 4.531 0.020 . 1 . . . A 73 VAL HA . 19354 1 737 . 1 1 62 62 VAL HB H 1 2.150 0.020 . 1 . . . A 73 VAL HB . 19354 1 738 . 1 1 62 62 VAL HG11 H 1 0.935 0.020 . 2 . . . A 73 VAL HG11 . 19354 1 739 . 1 1 62 62 VAL HG12 H 1 0.935 0.020 . 2 . . . A 73 VAL HG12 . 19354 1 740 . 1 1 62 62 VAL HG13 H 1 0.935 0.020 . 2 . . . A 73 VAL HG13 . 19354 1 741 . 1 1 62 62 VAL HG21 H 1 0.770 0.020 . 2 . . . A 73 VAL HG21 . 19354 1 742 . 1 1 62 62 VAL HG22 H 1 0.770 0.020 . 2 . . . A 73 VAL HG22 . 19354 1 743 . 1 1 62 62 VAL HG23 H 1 0.770 0.020 . 2 . . . A 73 VAL HG23 . 19354 1 744 . 1 1 62 62 VAL CA C 13 59.159 0.300 . 1 . . . A 73 VAL CA . 19354 1 745 . 1 1 62 62 VAL CB C 13 30.604 0.300 . 1 . . . A 73 VAL CB . 19354 1 746 . 1 1 62 62 VAL CG1 C 13 22.649 0.300 . 2 . . . A 73 VAL CG1 . 19354 1 747 . 1 1 62 62 VAL CG2 C 13 20.108 0.300 . 2 . . . A 73 VAL CG2 . 19354 1 748 . 1 1 62 62 VAL N N 15 121.486 0.300 . 1 . . . A 73 VAL N . 19354 1 749 . 1 1 63 63 PRO HA H 1 4.070 0.020 . 1 . . . A 74 PRO HA . 19354 1 750 . 1 1 63 63 PRO HB2 H 1 2.405 0.020 . 2 . . . A 74 PRO HB2 . 19354 1 751 . 1 1 63 63 PRO HB3 H 1 1.977 0.020 . 2 . . . A 74 PRO HB3 . 19354 1 752 . 1 1 63 63 PRO HG2 H 1 1.998 0.020 . 2 . . . A 74 PRO HG2 . 19354 1 753 . 1 1 63 63 PRO HG3 H 1 1.998 0.020 . 2 . . . A 74 PRO HG3 . 19354 1 754 . 1 1 63 63 PRO HD2 H 1 3.750 0.020 . 2 . . . A 74 PRO HD2 . 19354 1 755 . 1 1 63 63 PRO HD3 H 1 3.568 0.020 . 2 . . . A 74 PRO HD3 . 19354 1 756 . 1 1 63 63 PRO CA C 13 66.637 0.300 . 1 . . . A 74 PRO CA . 19354 1 757 . 1 1 63 63 PRO CB C 13 32.212 0.300 . 1 . . . A 74 PRO CB . 19354 1 758 . 1 1 63 63 PRO CG C 13 27.321 0.300 . 1 . . . A 74 PRO CG . 19354 1 759 . 1 1 63 63 PRO CD C 13 51.022 0.300 . 1 . . . A 74 PRO CD . 19354 1 760 . 1 1 64 64 LYS H H 1 9.234 0.020 . 1 . . . A 75 LYS H . 19354 1 761 . 1 1 64 64 LYS HA H 1 4.099 0.020 . 1 . . . A 75 LYS HA . 19354 1 762 . 1 1 64 64 LYS HB2 H 1 1.877 0.020 . 2 . . . A 75 LYS HB2 . 19354 1 763 . 1 1 64 64 LYS HB3 H 1 1.877 0.020 . 2 . . . A 75 LYS HB3 . 19354 1 764 . 1 1 64 64 LYS HG2 H 1 1.597 0.020 . 2 . . . A 75 LYS HG2 . 19354 1 765 . 1 1 64 64 LYS HG3 H 1 1.597 0.020 . 2 . . . A 75 LYS HG3 . 19354 1 766 . 1 1 64 64 LYS HD2 H 1 1.718 0.020 . 2 . . . A 75 LYS HD2 . 19354 1 767 . 1 1 64 64 LYS HD3 H 1 1.718 0.020 . 2 . . . A 75 LYS HD3 . 19354 1 768 . 1 1 64 64 LYS HE2 H 1 2.931 0.020 . 2 . . . A 75 LYS HE2 . 19354 1 769 . 1 1 64 64 LYS HE3 H 1 2.931 0.020 . 2 . . . A 75 LYS HE3 . 19354 1 770 . 1 1 64 64 LYS C C 13 180.048 0.300 . 1 . . . A 75 LYS C . 19354 1 771 . 1 1 64 64 LYS CA C 13 59.398 0.300 . 1 . . . A 75 LYS CA . 19354 1 772 . 1 1 64 64 LYS CB C 13 31.296 0.300 . 1 . . . A 75 LYS CB . 19354 1 773 . 1 1 64 64 LYS CG C 13 24.657 0.300 . 1 . . . A 75 LYS CG . 19354 1 774 . 1 1 64 64 LYS CD C 13 27.876 0.300 . 1 . . . A 75 LYS CD . 19354 1 775 . 1 1 64 64 LYS CE C 13 41.760 0.300 . 1 . . . A 75 LYS CE . 19354 1 776 . 1 1 64 64 LYS N N 15 116.832 0.300 . 1 . . . A 75 LYS N . 19354 1 777 . 1 1 65 65 CYS H H 1 7.496 0.020 . 1 . . . A 76 CYS H . 19354 1 778 . 1 1 65 65 CYS HA H 1 4.320 0.020 . 1 . . . A 76 CYS HA . 19354 1 779 . 1 1 65 65 CYS HB2 H 1 3.230 0.020 . 2 . . . A 76 CYS HB2 . 19354 1 780 . 1 1 65 65 CYS HB3 H 1 3.031 0.020 . 2 . . . A 76 CYS HB3 . 19354 1 781 . 1 1 65 65 CYS C C 13 175.012 0.300 . 1 . . . A 76 CYS C . 19354 1 782 . 1 1 65 65 CYS CA C 13 58.297 0.300 . 1 . . . A 76 CYS CA . 19354 1 783 . 1 1 65 65 CYS CB C 13 38.803 0.300 . 1 . . . A 76 CYS CB . 19354 1 784 . 1 1 65 65 CYS N N 15 116.333 0.300 . 1 . . . A 76 CYS N . 19354 1 785 . 1 1 66 66 TRP H H 1 8.254 0.020 . 1 . . . A 77 TRP H . 19354 1 786 . 1 1 66 66 TRP HA H 1 4.452 0.020 . 1 . . . A 77 TRP HA . 19354 1 787 . 1 1 66 66 TRP HB2 H 1 3.234 0.020 . 2 . . . A 77 TRP HB2 . 19354 1 788 . 1 1 66 66 TRP HB3 H 1 2.964 0.020 . 2 . . . A 77 TRP HB3 . 19354 1 789 . 1 1 66 66 TRP HD1 H 1 7.061 0.020 . 1 . . . A 77 TRP HD1 . 19354 1 790 . 1 1 66 66 TRP HE1 H 1 9.844 0.020 . 1 . . . A 77 TRP HE1 . 19354 1 791 . 1 1 66 66 TRP HE3 H 1 6.825 0.020 . 1 . . . A 77 TRP HE3 . 19354 1 792 . 1 1 66 66 TRP HZ2 H 1 6.824 0.020 . 1 . . . A 77 TRP HZ2 . 19354 1 793 . 1 1 66 66 TRP HZ3 H 1 6.175 0.020 . 1 . . . A 77 TRP HZ3 . 19354 1 794 . 1 1 66 66 TRP HH2 H 1 5.215 0.020 . 1 . . . A 77 TRP HH2 . 19354 1 795 . 1 1 66 66 TRP C C 13 177.462 0.300 . 1 . . . A 77 TRP C . 19354 1 796 . 1 1 66 66 TRP CA C 13 58.821 0.300 . 1 . . . A 77 TRP CA . 19354 1 797 . 1 1 66 66 TRP CB C 13 30.425 0.300 . 1 . . . A 77 TRP CB . 19354 1 798 . 1 1 66 66 TRP CD1 C 13 126.832 0.300 . 1 . . . A 77 TRP CD1 . 19354 1 799 . 1 1 66 66 TRP CE3 C 13 119.770 0.300 . 1 . . . A 77 TRP CE3 . 19354 1 800 . 1 1 66 66 TRP CZ2 C 13 113.921 0.300 . 1 . . . A 77 TRP CZ2 . 19354 1 801 . 1 1 66 66 TRP CZ3 C 13 122.123 0.300 . 1 . . . A 77 TRP CZ3 . 19354 1 802 . 1 1 66 66 TRP CH2 C 13 124.328 0.300 . 1 . . . A 77 TRP CH2 . 19354 1 803 . 1 1 66 66 TRP N N 15 119.987 0.300 . 1 . . . A 77 TRP N . 19354 1 804 . 1 1 66 66 TRP NE1 N 15 128.198 0.300 . 1 . . . A 77 TRP NE1 . 19354 1 805 . 1 1 67 67 ALA H H 1 7.968 0.020 . 1 . . . A 78 ALA H . 19354 1 806 . 1 1 67 67 ALA HA H 1 3.736 0.020 . 1 . . . A 78 ALA HA . 19354 1 807 . 1 1 67 67 ALA HB1 H 1 1.324 0.020 . 1 . . . A 78 ALA HB1 . 19354 1 808 . 1 1 67 67 ALA HB2 H 1 1.324 0.020 . 1 . . . A 78 ALA HB2 . 19354 1 809 . 1 1 67 67 ALA HB3 H 1 1.324 0.020 . 1 . . . A 78 ALA HB3 . 19354 1 810 . 1 1 67 67 ALA C C 13 178.845 0.300 . 1 . . . A 78 ALA C . 19354 1 811 . 1 1 67 67 ALA CA C 13 54.188 0.300 . 1 . . . A 78 ALA CA . 19354 1 812 . 1 1 67 67 ALA CB C 13 18.323 0.300 . 1 . . . A 78 ALA CB . 19354 1 813 . 1 1 67 67 ALA N N 15 116.093 0.300 . 1 . . . A 78 ALA N . 19354 1 814 . 1 1 68 68 ALA H H 1 6.929 0.020 . 1 . . . A 79 ALA H . 19354 1 815 . 1 1 68 68 ALA HA H 1 4.147 0.020 . 1 . . . A 79 ALA HA . 19354 1 816 . 1 1 68 68 ALA HB1 H 1 1.321 0.020 . 1 . . . A 79 ALA HB1 . 19354 1 817 . 1 1 68 68 ALA HB2 H 1 1.321 0.020 . 1 . . . A 79 ALA HB2 . 19354 1 818 . 1 1 68 68 ALA HB3 H 1 1.321 0.020 . 1 . . . A 79 ALA HB3 . 19354 1 819 . 1 1 68 68 ALA C C 13 178.414 0.300 . 1 . . . A 79 ALA C . 19354 1 820 . 1 1 68 68 ALA CA C 13 53.243 0.300 . 1 . . . A 79 ALA CA . 19354 1 821 . 1 1 68 68 ALA CB C 13 19.832 0.300 . 1 . . . A 79 ALA CB . 19354 1 822 . 1 1 68 68 ALA N N 15 116.351 0.300 . 1 . . . A 79 ALA N . 19354 1 823 . 1 1 69 69 ILE H H 1 8.695 0.020 . 1 . . . A 80 ILE H . 19354 1 824 . 1 1 69 69 ILE HA H 1 4.218 0.020 . 1 . . . A 80 ILE HA . 19354 1 825 . 1 1 69 69 ILE HB H 1 2.045 0.020 . 1 . . . A 80 ILE HB . 19354 1 826 . 1 1 69 69 ILE HG12 H 1 1.697 0.020 . 2 . . . A 80 ILE HG12 . 19354 1 827 . 1 1 69 69 ILE HG21 H 1 0.958 0.020 . 1 . . . A 80 ILE HG21 . 19354 1 828 . 1 1 69 69 ILE HG22 H 1 0.958 0.020 . 1 . . . A 80 ILE HG22 . 19354 1 829 . 1 1 69 69 ILE HG23 H 1 0.958 0.020 . 1 . . . A 80 ILE HG23 . 19354 1 830 . 1 1 69 69 ILE HD11 H 1 1.128 0.020 . 1 . . . A 80 ILE HD11 . 19354 1 831 . 1 1 69 69 ILE HD12 H 1 1.128 0.020 . 1 . . . A 80 ILE HD12 . 19354 1 832 . 1 1 69 69 ILE HD13 H 1 1.128 0.020 . 1 . . . A 80 ILE HD13 . 19354 1 833 . 1 1 69 69 ILE C C 13 176.350 0.300 . 1 . . . A 80 ILE C . 19354 1 834 . 1 1 69 69 ILE CA C 13 62.069 0.300 . 1 . . . A 80 ILE CA . 19354 1 835 . 1 1 69 69 ILE CB C 13 39.375 0.300 . 1 . . . A 80 ILE CB . 19354 1 836 . 1 1 69 69 ILE CG1 C 13 31.092 0.300 . 1 . . . A 80 ILE CG1 . 19354 1 837 . 1 1 69 69 ILE CG2 C 13 17.874 0.300 . 1 . . . A 80 ILE CG2 . 19354 1 838 . 1 1 69 69 ILE CD1 C 13 14.590 0.300 . 1 . . . A 80 ILE CD1 . 19354 1 839 . 1 1 69 69 ILE N N 15 115.150 0.300 . 1 . . . A 80 ILE N . 19354 1 840 . 1 1 70 70 GLN H H 1 7.315 0.020 . 1 . . . A 81 GLN H . 19354 1 841 . 1 1 70 70 GLN HA H 1 3.332 0.020 . 1 . . . A 81 GLN HA . 19354 1 842 . 1 1 70 70 GLN HB2 H 1 1.555 0.020 . 2 . . . A 81 GLN HB2 . 19354 1 843 . 1 1 70 70 GLN HB3 H 1 1.555 0.020 . 2 . . . A 81 GLN HB3 . 19354 1 844 . 1 1 70 70 GLN HG2 H 1 1.265 0.020 . 2 . . . A 81 GLN HG2 . 19354 1 845 . 1 1 70 70 GLN HG3 H 1 1.028 0.020 . 2 . . . A 81 GLN HG3 . 19354 1 846 . 1 1 70 70 GLN HE21 H 1 6.316 0.020 . 2 . . . A 81 GLN HE21 . 19354 1 847 . 1 1 70 70 GLN HE22 H 1 5.640 0.020 . 2 . . . A 81 GLN HE22 . 19354 1 848 . 1 1 70 70 GLN C C 13 173.470 0.300 . 1 . . . A 81 GLN C . 19354 1 849 . 1 1 70 70 GLN CA C 13 61.829 0.300 . 1 . . . A 81 GLN CA . 19354 1 850 . 1 1 70 70 GLN CB C 13 25.973 0.300 . 1 . . . A 81 GLN CB . 19354 1 851 . 1 1 70 70 GLN CG C 13 33.328 0.300 . 1 . . . A 81 GLN CG . 19354 1 852 . 1 1 70 70 GLN N N 15 122.564 0.300 . 1 . . . A 81 GLN N . 19354 1 853 . 1 1 70 70 GLN NE2 N 15 109.407 0.300 . 1 . . . A 81 GLN NE2 . 19354 1 854 . 1 1 71 71 PRO HA H 1 4.076 0.020 . 1 . . . A 82 PRO HA . 19354 1 855 . 1 1 71 71 PRO HB2 H 1 2.131 0.020 . 2 . . . A 82 PRO HB2 . 19354 1 856 . 1 1 71 71 PRO HB3 H 1 2.131 0.020 . 2 . . . A 82 PRO HB3 . 19354 1 857 . 1 1 71 71 PRO HG2 H 1 1.913 0.020 . 2 . . . A 82 PRO HG2 . 19354 1 858 . 1 1 71 71 PRO HD2 H 1 3.375 0.020 . 2 . . . A 82 PRO HD2 . 19354 1 859 . 1 1 71 71 PRO HD3 H 1 3.268 0.020 . 2 . . . A 82 PRO HD3 . 19354 1 860 . 1 1 71 71 PRO CA C 13 65.894 0.300 . 1 . . . A 82 PRO CA . 19354 1 861 . 1 1 71 71 PRO CB C 13 30.481 0.300 . 1 . . . A 82 PRO CB . 19354 1 862 . 1 1 71 71 PRO CG C 13 27.833 0.300 . 1 . . . A 82 PRO CG . 19354 1 863 . 1 1 71 71 PRO CD C 13 49.756 0.300 . 1 . . . A 82 PRO CD . 19354 1 864 . 1 1 72 72 PHE H H 1 6.892 0.020 . 1 . . . A 83 PHE H . 19354 1 865 . 1 1 72 72 PHE HA H 1 4.289 0.020 . 1 . . . A 83 PHE HA . 19354 1 866 . 1 1 72 72 PHE HB2 H 1 3.230 0.020 . 2 . . . A 83 PHE HB2 . 19354 1 867 . 1 1 72 72 PHE HB3 H 1 2.868 0.020 . 2 . . . A 83 PHE HB3 . 19354 1 868 . 1 1 72 72 PHE HD1 H 1 6.865 0.020 . 3 . . . A 83 PHE HD1 . 19354 1 869 . 1 1 72 72 PHE HD2 H 1 6.865 0.020 . 3 . . . A 83 PHE HD2 . 19354 1 870 . 1 1 72 72 PHE HE1 H 1 7.009 0.020 . 3 . . . A 83 PHE HE1 . 19354 1 871 . 1 1 72 72 PHE HE2 H 1 7.009 0.020 . 3 . . . A 83 PHE HE2 . 19354 1 872 . 1 1 72 72 PHE HZ H 1 7.309 0.020 . 1 . . . A 83 PHE HZ . 19354 1 873 . 1 1 72 72 PHE C C 13 175.919 0.300 . 1 . . . A 83 PHE C . 19354 1 874 . 1 1 72 72 PHE CA C 13 59.712 0.300 . 1 . . . A 83 PHE CA . 19354 1 875 . 1 1 72 72 PHE CB C 13 39.329 0.300 . 1 . . . A 83 PHE CB . 19354 1 876 . 1 1 72 72 PHE CD2 C 13 132.442 0.300 . 3 . . . A 83 PHE CD2 . 19354 1 877 . 1 1 72 72 PHE CE2 C 13 130.945 0.300 . 3 . . . A 83 PHE CE2 . 19354 1 878 . 1 1 72 72 PHE CZ C 13 132.380 0.300 . 1 . . . A 83 PHE CZ . 19354 1 879 . 1 1 72 72 PHE N N 15 119.137 0.300 . 1 . . . A 83 PHE N . 19354 1 880 . 1 1 73 73 LEU H H 1 8.589 0.020 . 1 . . . A 84 LEU H . 19354 1 881 . 1 1 73 73 LEU HA H 1 3.611 0.020 . 1 . . . A 84 LEU HA . 19354 1 882 . 1 1 73 73 LEU HB2 H 1 1.918 0.020 . 2 . . . A 84 LEU HB2 . 19354 1 883 . 1 1 73 73 LEU HB3 H 1 1.004 0.020 . 2 . . . A 84 LEU HB3 . 19354 1 884 . 1 1 73 73 LEU HG H 1 1.643 0.020 . 1 . . . A 84 LEU HG . 19354 1 885 . 1 1 73 73 LEU HD11 H 1 0.565 0.020 . 2 . . . A 84 LEU HD11 . 19354 1 886 . 1 1 73 73 LEU HD12 H 1 0.565 0.020 . 2 . . . A 84 LEU HD12 . 19354 1 887 . 1 1 73 73 LEU HD13 H 1 0.565 0.020 . 2 . . . A 84 LEU HD13 . 19354 1 888 . 1 1 73 73 LEU HD21 H 1 0.323 0.020 . 2 . . . A 84 LEU HD21 . 19354 1 889 . 1 1 73 73 LEU HD22 H 1 0.323 0.020 . 2 . . . A 84 LEU HD22 . 19354 1 890 . 1 1 73 73 LEU HD23 H 1 0.323 0.020 . 2 . . . A 84 LEU HD23 . 19354 1 891 . 1 1 73 73 LEU C C 13 180.297 0.300 . 1 . . . A 84 LEU C . 19354 1 892 . 1 1 73 73 LEU CA C 13 57.952 0.300 . 1 . . . A 84 LEU CA . 19354 1 893 . 1 1 73 73 LEU CB C 13 41.645 0.300 . 1 . . . A 84 LEU CB . 19354 1 894 . 1 1 73 73 LEU CG C 13 26.484 0.300 . 1 . . . A 84 LEU CG . 19354 1 895 . 1 1 73 73 LEU CD1 C 13 27.209 0.300 . 2 . . . A 84 LEU CD1 . 19354 1 896 . 1 1 73 73 LEU CD2 C 13 22.994 0.300 . 2 . . . A 84 LEU CD2 . 19354 1 897 . 1 1 73 73 LEU N N 15 116.693 0.300 . 1 . . . A 84 LEU N . 19354 1 898 . 1 1 74 74 CYS H H 1 8.001 0.020 . 1 . . . A 85 CYS H . 19354 1 899 . 1 1 74 74 CYS HA H 1 4.127 0.020 . 1 . . . A 85 CYS HA . 19354 1 900 . 1 1 74 74 CYS HB2 H 1 2.898 0.020 . 2 . . . A 85 CYS HB2 . 19354 1 901 . 1 1 74 74 CYS HB3 H 1 2.706 0.020 . 2 . . . A 85 CYS HB3 . 19354 1 902 . 1 1 74 74 CYS C C 13 175.556 0.300 . 1 . . . A 85 CYS C . 19354 1 903 . 1 1 74 74 CYS CA C 13 57.678 0.300 . 1 . . . A 85 CYS CA . 19354 1 904 . 1 1 74 74 CYS CB C 13 39.396 0.300 . 1 . . . A 85 CYS CB . 19354 1 905 . 1 1 74 74 CYS N N 15 115.085 0.300 . 1 . . . A 85 CYS N . 19354 1 906 . 1 1 75 75 ALA H H 1 7.671 0.020 . 1 . . . A 86 ALA H . 19354 1 907 . 1 1 75 75 ALA HA H 1 3.922 0.020 . 1 . . . A 86 ALA HA . 19354 1 908 . 1 1 75 75 ALA HB1 H 1 1.380 0.020 . 1 . . . A 86 ALA HB1 . 19354 1 909 . 1 1 75 75 ALA HB2 H 1 1.380 0.020 . 1 . . . A 86 ALA HB2 . 19354 1 910 . 1 1 75 75 ALA HB3 H 1 1.380 0.020 . 1 . . . A 86 ALA HB3 . 19354 1 911 . 1 1 75 75 ALA C C 13 177.745 0.300 . 1 . . . A 86 ALA C . 19354 1 912 . 1 1 75 75 ALA CA C 13 54.306 0.300 . 1 . . . A 86 ALA CA . 19354 1 913 . 1 1 75 75 ALA CB C 13 18.778 0.300 . 1 . . . A 86 ALA CB . 19354 1 914 . 1 1 75 75 ALA N N 15 121.743 0.300 . 1 . . . A 86 ALA N . 19354 1 915 . 1 1 76 76 VAL H H 1 7.460 0.020 . 1 . . . A 87 VAL H . 19354 1 916 . 1 1 76 76 VAL HA H 1 3.735 0.020 . 1 . . . A 87 VAL HA . 19354 1 917 . 1 1 76 76 VAL HB H 1 1.511 0.020 . 1 . . . A 87 VAL HB . 19354 1 918 . 1 1 76 76 VAL HG11 H 1 0.609 0.020 . 2 . . . A 87 VAL HG11 . 19354 1 919 . 1 1 76 76 VAL HG12 H 1 0.609 0.020 . 2 . . . A 87 VAL HG12 . 19354 1 920 . 1 1 76 76 VAL HG13 H 1 0.609 0.020 . 2 . . . A 87 VAL HG13 . 19354 1 921 . 1 1 76 76 VAL HG21 H 1 0.296 0.020 . 2 . . . A 87 VAL HG21 . 19354 1 922 . 1 1 76 76 VAL HG22 H 1 0.296 0.020 . 2 . . . A 87 VAL HG22 . 19354 1 923 . 1 1 76 76 VAL HG23 H 1 0.296 0.020 . 2 . . . A 87 VAL HG23 . 19354 1 924 . 1 1 76 76 VAL C C 13 175.806 0.300 . 1 . . . A 87 VAL C . 19354 1 925 . 1 1 76 76 VAL CA C 13 64.622 0.300 . 1 . . . A 87 VAL CA . 19354 1 926 . 1 1 76 76 VAL CB C 13 32.936 0.300 . 1 . . . A 87 VAL CB . 19354 1 927 . 1 1 76 76 VAL CG1 C 13 21.660 0.300 . 2 . . . A 87 VAL CG1 . 19354 1 928 . 1 1 76 76 VAL CG2 C 13 23.716 0.300 . 2 . . . A 87 VAL CG2 . 19354 1 929 . 1 1 76 76 VAL N N 15 115.667 0.300 . 1 . . . A 87 VAL N . 19354 1 930 . 1 1 77 77 PHE H H 1 8.930 0.020 . 1 . . . A 88 PHE H . 19354 1 931 . 1 1 77 77 PHE HA H 1 4.048 0.020 . 1 . . . A 88 PHE HA . 19354 1 932 . 1 1 77 77 PHE HB2 H 1 3.143 0.020 . 2 . . . A 88 PHE HB2 . 19354 1 933 . 1 1 77 77 PHE HB3 H 1 2.704 0.020 . 2 . . . A 88 PHE HB3 . 19354 1 934 . 1 1 77 77 PHE HD1 H 1 7.374 0.020 . 3 . . . A 88 PHE HD1 . 19354 1 935 . 1 1 77 77 PHE HD2 H 1 7.374 0.020 . 3 . . . A 88 PHE HD2 . 19354 1 936 . 1 1 77 77 PHE HE1 H 1 7.148 0.020 . 3 . . . A 88 PHE HE1 . 19354 1 937 . 1 1 77 77 PHE HE2 H 1 7.148 0.020 . 3 . . . A 88 PHE HE2 . 19354 1 938 . 1 1 77 77 PHE HZ H 1 6.935 0.020 . 1 . . . A 88 PHE HZ . 19354 1 939 . 1 1 77 77 PHE C C 13 176.192 0.300 . 1 . . . A 88 PHE C . 19354 1 940 . 1 1 77 77 PHE CA C 13 60.420 0.300 . 1 . . . A 88 PHE CA . 19354 1 941 . 1 1 77 77 PHE CB C 13 40.182 0.300 . 1 . . . A 88 PHE CB . 19354 1 942 . 1 1 77 77 PHE CD1 C 13 132.710 0.300 . 3 . . . A 88 PHE CD1 . 19354 1 943 . 1 1 77 77 PHE CE1 C 13 129.398 0.300 . 3 . . . A 88 PHE CE1 . 19354 1 944 . 1 1 77 77 PHE CZ C 13 130.249 0.300 . 1 . . . A 88 PHE CZ . 19354 1 945 . 1 1 77 77 PHE N N 15 115.306 0.300 . 1 . . . A 88 PHE N . 19354 1 946 . 1 1 78 78 LYS H H 1 7.802 0.020 . 1 . . . A 89 LYS H . 19354 1 947 . 1 1 78 78 LYS HA H 1 4.816 0.020 . 1 . . . A 89 LYS HA . 19354 1 948 . 1 1 78 78 LYS HB2 H 1 1.785 0.020 . 2 . . . A 89 LYS HB2 . 19354 1 949 . 1 1 78 78 LYS HB3 H 1 1.785 0.020 . 2 . . . A 89 LYS HB3 . 19354 1 950 . 1 1 78 78 LYS HG2 H 1 1.226 0.020 . 2 . . . A 89 LYS HG2 . 19354 1 951 . 1 1 78 78 LYS HG3 H 1 1.226 0.020 . 2 . . . A 89 LYS HG3 . 19354 1 952 . 1 1 78 78 LYS HD2 H 1 1.675 0.020 . 2 . . . A 89 LYS HD2 . 19354 1 953 . 1 1 78 78 LYS HD3 H 1 1.379 0.020 . 2 . . . A 89 LYS HD3 . 19354 1 954 . 1 1 78 78 LYS HE2 H 1 2.815 0.020 . 2 . . . A 89 LYS HE2 . 19354 1 955 . 1 1 78 78 LYS HE3 H 1 2.708 0.020 . 2 . . . A 89 LYS HE3 . 19354 1 956 . 1 1 78 78 LYS C C 13 184.176 0.300 . 1 . . . A 89 LYS C . 19354 1 957 . 1 1 78 78 LYS CA C 13 53.428 0.300 . 1 . . . A 89 LYS CA . 19354 1 958 . 1 1 78 78 LYS CB C 13 33.274 0.300 . 1 . . . A 89 LYS CB . 19354 1 959 . 1 1 78 78 LYS CG C 13 25.540 0.300 . 1 . . . A 89 LYS CG . 19354 1 960 . 1 1 78 78 LYS CD C 13 29.658 0.300 . 1 . . . A 89 LYS CD . 19354 1 961 . 1 1 78 78 LYS CE C 13 42.810 0.300 . 1 . . . A 89 LYS CE . 19354 1 962 . 1 1 78 78 LYS N N 15 115.470 0.300 . 1 . . . A 89 LYS N . 19354 1 963 . 1 1 79 79 PRO HA H 1 4.250 0.020 . 1 . . . A 90 PRO HA . 19354 1 964 . 1 1 79 79 PRO HB2 H 1 2.543 0.020 . 2 . . . A 90 PRO HB2 . 19354 1 965 . 1 1 79 79 PRO HB3 H 1 2.543 0.020 . 2 . . . A 90 PRO HB3 . 19354 1 966 . 1 1 79 79 PRO HG2 H 1 1.902 0.020 . 2 . . . A 90 PRO HG2 . 19354 1 967 . 1 1 79 79 PRO HG3 H 1 1.902 0.020 . 2 . . . A 90 PRO HG3 . 19354 1 968 . 1 1 79 79 PRO HD2 H 1 3.449 0.020 . 2 . . . A 90 PRO HD2 . 19354 1 969 . 1 1 79 79 PRO HD3 H 1 3.158 0.020 . 2 . . . A 90 PRO HD3 . 19354 1 970 . 1 1 79 79 PRO CA C 13 62.682 0.300 . 1 . . . A 90 PRO CA . 19354 1 971 . 1 1 79 79 PRO CB C 13 32.358 0.300 . 1 . . . A 90 PRO CB . 19354 1 972 . 1 1 79 79 PRO CG C 13 27.595 0.300 . 1 . . . A 90 PRO CG . 19354 1 973 . 1 1 79 79 PRO CD C 13 50.340 0.300 . 1 . . . A 90 PRO CD . 19354 1 974 . 1 1 80 80 LYS H H 1 8.537 0.020 . 1 . . . A 91 LYS H . 19354 1 975 . 1 1 80 80 LYS HA H 1 3.039 0.020 . 1 . . . A 91 LYS HA . 19354 1 976 . 1 1 80 80 LYS HB2 H 1 0.687 0.020 . 2 . . . A 91 LYS HB2 . 19354 1 977 . 1 1 80 80 LYS HB3 H 1 -0.075 0.020 . 2 . . . A 91 LYS HB3 . 19354 1 978 . 1 1 80 80 LYS HG2 H 1 0.411 0.020 . 2 . . . A 91 LYS HG2 . 19354 1 979 . 1 1 80 80 LYS HG3 H 1 0.411 0.020 . 2 . . . A 91 LYS HG3 . 19354 1 980 . 1 1 80 80 LYS HD2 H 1 0.749 0.020 . 2 . . . A 91 LYS HD2 . 19354 1 981 . 1 1 80 80 LYS HD3 H 1 0.354 0.020 . 2 . . . A 91 LYS HD3 . 19354 1 982 . 1 1 80 80 LYS HE2 H 1 2.183 0.020 . 2 . . . A 91 LYS HE2 . 19354 1 983 . 1 1 80 80 LYS HE3 H 1 2.081 0.020 . 2 . . . A 91 LYS HE3 . 19354 1 984 . 1 1 80 80 LYS C C 13 173.356 0.300 . 1 . . . A 91 LYS C . 19354 1 985 . 1 1 80 80 LYS CA C 13 58.027 0.300 . 1 . . . A 91 LYS CA . 19354 1 986 . 1 1 80 80 LYS CB C 13 31.285 0.300 . 1 . . . A 91 LYS CB . 19354 1 987 . 1 1 80 80 LYS CG C 13 25.275 0.300 . 1 . . . A 91 LYS CG . 19354 1 988 . 1 1 80 80 LYS CD C 13 28.730 0.300 . 1 . . . A 91 LYS CD . 19354 1 989 . 1 1 80 80 LYS CE C 13 40.857 0.300 . 1 . . . A 91 LYS CE . 19354 1 990 . 1 1 80 80 LYS N N 15 122.391 0.300 . 1 . . . A 91 LYS N . 19354 1 991 . 1 1 81 81 CYS H H 1 7.037 0.020 . 1 . . . A 92 CYS H . 19354 1 992 . 1 1 81 81 CYS HA H 1 5.391 0.020 . 1 . . . A 92 CYS HA . 19354 1 993 . 1 1 81 81 CYS HB2 H 1 2.309 0.020 . 2 . . . A 92 CYS HB2 . 19354 1 994 . 1 1 81 81 CYS HB3 H 1 1.792 0.020 . 2 . . . A 92 CYS HB3 . 19354 1 995 . 1 1 81 81 CYS C C 13 171.655 0.300 . 1 . . . A 92 CYS C . 19354 1 996 . 1 1 81 81 CYS CA C 13 53.804 0.300 . 1 . . . A 92 CYS CA . 19354 1 997 . 1 1 81 81 CYS CB C 13 41.219 0.300 . 1 . . . A 92 CYS CB . 19354 1 998 . 1 1 81 81 CYS N N 15 127.562 0.300 . 1 . . . A 92 CYS N . 19354 1 999 . 1 1 82 82 GLU H H 1 9.401 0.020 . 1 . . . A 93 GLU H . 19354 1 1000 . 1 1 82 82 GLU HA H 1 4.492 0.020 . 1 . . . A 93 GLU HA . 19354 1 1001 . 1 1 82 82 GLU HB2 H 1 1.894 0.020 . 2 . . . A 93 GLU HB2 . 19354 1 1002 . 1 1 82 82 GLU HB3 H 1 1.839 0.020 . 2 . . . A 93 GLU HB3 . 19354 1 1003 . 1 1 82 82 GLU HG2 H 1 2.070 0.020 . 2 . . . A 93 GLU HG2 . 19354 1 1004 . 1 1 82 82 GLU HG3 H 1 2.026 0.020 . 2 . . . A 93 GLU HG3 . 19354 1 1005 . 1 1 82 82 GLU C C 13 173.371 0.300 . 1 . . . A 93 GLU C . 19354 1 1006 . 1 1 82 82 GLU CA C 13 54.874 0.300 . 1 . . . A 93 GLU CA . 19354 1 1007 . 1 1 82 82 GLU CB C 13 34.630 0.300 . 1 . . . A 93 GLU CB . 19354 1 1008 . 1 1 82 82 GLU CG C 13 35.918 0.300 . 1 . . . A 93 GLU CG . 19354 1 1009 . 1 1 82 82 GLU N N 15 124.483 0.300 . 1 . . . A 93 GLU N . 19354 1 1010 . 1 1 83 83 LYS H H 1 8.526 0.020 . 1 . . . A 94 LYS H . 19354 1 1011 . 1 1 83 83 LYS HA H 1 4.581 0.020 . 1 . . . A 94 LYS HA . 19354 1 1012 . 1 1 83 83 LYS HB2 H 1 1.531 0.020 . 2 . . . A 94 LYS HB2 . 19354 1 1013 . 1 1 83 83 LYS HB3 H 1 1.391 0.020 . 2 . . . A 94 LYS HB3 . 19354 1 1014 . 1 1 83 83 LYS HG2 H 1 1.135 0.020 . 2 . . . A 94 LYS HG2 . 19354 1 1015 . 1 1 83 83 LYS HG3 H 1 1.042 0.020 . 2 . . . A 94 LYS HG3 . 19354 1 1016 . 1 1 83 83 LYS HD2 H 1 1.433 0.020 . 2 . . . A 94 LYS HD2 . 19354 1 1017 . 1 1 83 83 LYS HD3 H 1 1.433 0.020 . 2 . . . A 94 LYS HD3 . 19354 1 1018 . 1 1 83 83 LYS HE2 H 1 2.822 0.020 . 2 . . . A 94 LYS HE2 . 19354 1 1019 . 1 1 83 83 LYS HE3 H 1 2.767 0.020 . 2 . . . A 94 LYS HE3 . 19354 1 1020 . 1 1 83 83 LYS C C 13 176.509 0.300 . 1 . . . A 94 LYS C . 19354 1 1021 . 1 1 83 83 LYS CA C 13 55.856 0.300 . 1 . . . A 94 LYS CA . 19354 1 1022 . 1 1 83 83 LYS CB C 13 31.809 0.300 . 1 . . . A 94 LYS CB . 19354 1 1023 . 1 1 83 83 LYS CG C 13 24.612 0.300 . 1 . . . A 94 LYS CG . 19354 1 1024 . 1 1 83 83 LYS CD C 13 28.476 0.300 . 1 . . . A 94 LYS CD . 19354 1 1025 . 1 1 83 83 LYS CE C 13 41.177 0.300 . 1 . . . A 94 LYS CE . 19354 1 1026 . 1 1 83 83 LYS N N 15 122.694 0.300 . 1 . . . A 94 LYS N . 19354 1 1027 . 1 1 84 84 ILE H H 1 9.001 0.020 . 1 . . . A 95 ILE H . 19354 1 1028 . 1 1 84 84 ILE HA H 1 4.049 0.020 . 1 . . . A 95 ILE HA . 19354 1 1029 . 1 1 84 84 ILE HB H 1 1.556 0.020 . 1 . . . A 95 ILE HB . 19354 1 1030 . 1 1 84 84 ILE HG12 H 1 1.365 0.020 . 2 . . . A 95 ILE HG12 . 19354 1 1031 . 1 1 84 84 ILE HG13 H 1 1.294 0.020 . 2 . . . A 95 ILE HG13 . 19354 1 1032 . 1 1 84 84 ILE HG21 H 1 0.666 0.020 . 1 . . . A 95 ILE HG21 . 19354 1 1033 . 1 1 84 84 ILE HG22 H 1 0.666 0.020 . 1 . . . A 95 ILE HG22 . 19354 1 1034 . 1 1 84 84 ILE HG23 H 1 0.666 0.020 . 1 . . . A 95 ILE HG23 . 19354 1 1035 . 1 1 84 84 ILE HD11 H 1 0.580 0.020 . 1 . . . A 95 ILE HD11 . 19354 1 1036 . 1 1 84 84 ILE HD12 H 1 0.580 0.020 . 1 . . . A 95 ILE HD12 . 19354 1 1037 . 1 1 84 84 ILE HD13 H 1 0.580 0.020 . 1 . . . A 95 ILE HD13 . 19354 1 1038 . 1 1 84 84 ILE C C 13 176.337 0.300 . 1 . . . A 95 ILE C . 19354 1 1039 . 1 1 84 84 ILE CA C 13 60.847 0.300 . 1 . . . A 95 ILE CA . 19354 1 1040 . 1 1 84 84 ILE CB C 13 39.625 0.300 . 1 . . . A 95 ILE CB . 19354 1 1041 . 1 1 84 84 ILE CG1 C 13 27.170 0.300 . 1 . . . A 95 ILE CG1 . 19354 1 1042 . 1 1 84 84 ILE CG2 C 13 16.511 0.300 . 1 . . . A 95 ILE CG2 . 19354 1 1043 . 1 1 84 84 ILE CD1 C 13 12.600 0.300 . 1 . . . A 95 ILE CD1 . 19354 1 1044 . 1 1 84 84 ILE N N 15 128.382 0.300 . 1 . . . A 95 ILE N . 19354 1 1045 . 1 1 85 85 ASN H H 1 9.474 0.020 . 1 . . . A 96 ASN H . 19354 1 1046 . 1 1 85 85 ASN HA H 1 4.212 0.020 . 1 . . . A 96 ASN HA . 19354 1 1047 . 1 1 85 85 ASN HB2 H 1 2.949 0.020 . 2 . . . A 96 ASN HB2 . 19354 1 1048 . 1 1 85 85 ASN HB3 H 1 2.666 0.020 . 2 . . . A 96 ASN HB3 . 19354 1 1049 . 1 1 85 85 ASN HD21 H 1 7.578 0.020 . 2 . . . A 96 ASN HD21 . 19354 1 1050 . 1 1 85 85 ASN HD22 H 1 6.795 0.020 . 2 . . . A 96 ASN HD22 . 19354 1 1051 . 1 1 85 85 ASN C C 13 175.496 0.300 . 1 . . . A 96 ASN C . 19354 1 1052 . 1 1 85 85 ASN CA C 13 53.970 0.300 . 1 . . . A 96 ASN CA . 19354 1 1053 . 1 1 85 85 ASN CB C 13 37.238 0.300 . 1 . . . A 96 ASN CB . 19354 1 1054 . 1 1 85 85 ASN N N 15 127.596 0.300 . 1 . . . A 96 ASN N . 19354 1 1055 . 1 1 85 85 ASN ND2 N 15 112.813 0.300 . 1 . . . A 96 ASN ND2 . 19354 1 1056 . 1 1 86 86 GLY H H 1 8.476 0.020 . 1 . . . A 97 GLY H . 19354 1 1057 . 1 1 86 86 GLY HA2 H 1 4.094 0.020 . 2 . . . A 97 GLY HA2 . 19354 1 1058 . 1 1 86 86 GLY HA3 H 1 3.373 0.020 . 2 . . . A 97 GLY HA3 . 19354 1 1059 . 1 1 86 86 GLY C C 13 173.651 0.300 . 1 . . . A 97 GLY C . 19354 1 1060 . 1 1 86 86 GLY CA C 13 45.167 0.300 . 1 . . . A 97 GLY CA . 19354 1 1061 . 1 1 86 86 GLY N N 15 101.656 0.300 . 1 . . . A 97 GLY N . 19354 1 1062 . 1 1 87 87 GLU H H 1 7.591 0.020 . 1 . . . A 98 GLU H . 19354 1 1063 . 1 1 87 87 GLU HA H 1 4.587 0.020 . 1 . . . A 98 GLU HA . 19354 1 1064 . 1 1 87 87 GLU HB2 H 1 1.804 0.020 . 2 . . . A 98 GLU HB2 . 19354 1 1065 . 1 1 87 87 GLU HB3 H 1 1.804 0.020 . 2 . . . A 98 GLU HB3 . 19354 1 1066 . 1 1 87 87 GLU HG2 H 1 2.105 0.020 . 2 . . . A 98 GLU HG2 . 19354 1 1067 . 1 1 87 87 GLU HG3 H 1 1.999 0.020 . 2 . . . A 98 GLU HG3 . 19354 1 1068 . 1 1 87 87 GLU C C 13 174.422 0.300 . 1 . . . A 98 GLU C . 19354 1 1069 . 1 1 87 87 GLU CA C 13 54.294 0.300 . 1 . . . A 98 GLU CA . 19354 1 1070 . 1 1 87 87 GLU CB C 13 32.934 0.300 . 1 . . . A 98 GLU CB . 19354 1 1071 . 1 1 87 87 GLU CG C 13 35.875 0.300 . 1 . . . A 98 GLU CG . 19354 1 1072 . 1 1 87 87 GLU N N 15 120.042 0.300 . 1 . . . A 98 GLU N . 19354 1 1073 . 1 1 88 88 ASP H H 1 8.489 0.020 . 1 . . . A 99 ASP H . 19354 1 1074 . 1 1 88 88 ASP HA H 1 4.340 0.020 . 1 . . . A 99 ASP HA . 19354 1 1075 . 1 1 88 88 ASP HB2 H 1 2.908 0.020 . 2 . . . A 99 ASP HB2 . 19354 1 1076 . 1 1 88 88 ASP HB3 H 1 2.555 0.020 . 2 . . . A 99 ASP HB3 . 19354 1 1077 . 1 1 88 88 ASP C C 13 176.214 0.300 . 1 . . . A 99 ASP C . 19354 1 1078 . 1 1 88 88 ASP CA C 13 55.408 0.300 . 1 . . . A 99 ASP CA . 19354 1 1079 . 1 1 88 88 ASP CB C 13 41.629 0.300 . 1 . . . A 99 ASP CB . 19354 1 1080 . 1 1 88 88 ASP N N 15 126.603 0.300 . 1 . . . A 99 ASP N . 19354 1 1081 . 1 1 89 89 MET H H 1 8.853 0.020 . 1 . . . A 100 MET H . 19354 1 1082 . 1 1 89 89 MET HA H 1 4.911 0.020 . 1 . . . A 100 MET HA . 19354 1 1083 . 1 1 89 89 MET HB2 H 1 1.787 0.020 . 2 . . . A 100 MET HB2 . 19354 1 1084 . 1 1 89 89 MET HB3 H 1 1.278 0.020 . 2 . . . A 100 MET HB3 . 19354 1 1085 . 1 1 89 89 MET HG2 H 1 2.468 0.020 . 2 . . . A 100 MET HG2 . 19354 1 1086 . 1 1 89 89 MET HG3 H 1 2.342 0.020 . 2 . . . A 100 MET HG3 . 19354 1 1087 . 1 1 89 89 MET HE1 H 1 1.723 0.020 . 1 . . . A 100 MET HE1 . 19354 1 1088 . 1 1 89 89 MET HE2 H 1 1.723 0.020 . 1 . . . A 100 MET HE2 . 19354 1 1089 . 1 1 89 89 MET HE3 H 1 1.723 0.020 . 1 . . . A 100 MET HE3 . 19354 1 1090 . 1 1 89 89 MET C C 13 172.900 0.300 . 1 . . . A 100 MET C . 19354 1 1091 . 1 1 89 89 MET CA C 13 53.649 0.300 . 1 . . . A 100 MET CA . 19354 1 1092 . 1 1 89 89 MET CB C 13 35.529 0.300 . 1 . . . A 100 MET CB . 19354 1 1093 . 1 1 89 89 MET CG C 13 32.804 0.300 . 1 . . . A 100 MET CG . 19354 1 1094 . 1 1 89 89 MET CE C 13 18.224 0.300 . 1 . . . A 100 MET CE . 19354 1 1095 . 1 1 89 89 MET N N 15 121.977 0.300 . 1 . . . A 100 MET N . 19354 1 1096 . 1 1 90 90 VAL H H 1 8.964 0.020 . 1 . . . A 101 VAL H . 19354 1 1097 . 1 1 90 90 VAL HA H 1 4.814 0.020 . 1 . . . A 101 VAL HA . 19354 1 1098 . 1 1 90 90 VAL HB H 1 1.559 0.020 . 1 . . . A 101 VAL HB . 19354 1 1099 . 1 1 90 90 VAL HG11 H 1 0.907 0.020 . 2 . . . A 101 VAL HG11 . 19354 1 1100 . 1 1 90 90 VAL HG12 H 1 0.907 0.020 . 2 . . . A 101 VAL HG12 . 19354 1 1101 . 1 1 90 90 VAL HG13 H 1 0.907 0.020 . 2 . . . A 101 VAL HG13 . 19354 1 1102 . 1 1 90 90 VAL HG21 H 1 0.685 0.020 . 2 . . . A 101 VAL HG21 . 19354 1 1103 . 1 1 90 90 VAL HG22 H 1 0.685 0.020 . 2 . . . A 101 VAL HG22 . 19354 1 1104 . 1 1 90 90 VAL HG23 H 1 0.685 0.020 . 2 . . . A 101 VAL HG23 . 19354 1 1105 . 1 1 90 90 VAL C C 13 172.991 0.300 . 1 . . . A 101 VAL C . 19354 1 1106 . 1 1 90 90 VAL CA C 13 58.203 0.300 . 1 . . . A 101 VAL CA . 19354 1 1107 . 1 1 90 90 VAL CB C 13 34.629 0.300 . 1 . . . A 101 VAL CB . 19354 1 1108 . 1 1 90 90 VAL CG1 C 13 24.114 0.300 . 2 . . . A 101 VAL CG1 . 19354 1 1109 . 1 1 90 90 VAL CG2 C 13 21.050 0.300 . 2 . . . A 101 VAL CG2 . 19354 1 1110 . 1 1 90 90 VAL N N 15 119.963 0.300 . 1 . . . A 101 VAL N . 19354 1 1111 . 1 1 91 91 TYR H H 1 8.137 0.020 . 1 . . . A 102 TYR H . 19354 1 1112 . 1 1 91 91 TYR HA H 1 4.444 0.020 . 1 . . . A 102 TYR HA . 19354 1 1113 . 1 1 91 91 TYR HB2 H 1 2.789 0.020 . 2 . . . A 102 TYR HB2 . 19354 1 1114 . 1 1 91 91 TYR HB3 H 1 2.581 0.020 . 2 . . . A 102 TYR HB3 . 19354 1 1115 . 1 1 91 91 TYR HD1 H 1 6.750 0.020 . 3 . . . A 102 TYR HD1 . 19354 1 1116 . 1 1 91 91 TYR HD2 H 1 6.750 0.020 . 3 . . . A 102 TYR HD2 . 19354 1 1117 . 1 1 91 91 TYR HE1 H 1 6.348 0.020 . 3 . . . A 102 TYR HE1 . 19354 1 1118 . 1 1 91 91 TYR HE2 H 1 6.348 0.020 . 3 . . . A 102 TYR HE2 . 19354 1 1119 . 1 1 91 91 TYR C C 13 176.464 0.300 . 1 . . . A 102 TYR C . 19354 1 1120 . 1 1 91 91 TYR CA C 13 57.549 0.300 . 1 . . . A 102 TYR CA . 19354 1 1121 . 1 1 91 91 TYR CB C 13 38.274 0.300 . 1 . . . A 102 TYR CB . 19354 1 1122 . 1 1 91 91 TYR CD2 C 13 133.471 0.300 . 1 . . . A 102 TYR CD2 . 19354 1 1123 . 1 1 91 91 TYR CE2 C 13 117.567 0.300 . 1 . . . A 102 TYR CE2 . 19354 1 1124 . 1 1 91 91 TYR N N 15 125.849 0.300 . 1 . . . A 102 TYR N . 19354 1 1125 . 1 1 92 92 LEU H H 1 8.308 0.020 . 1 . . . A 103 LEU H . 19354 1 1126 . 1 1 92 92 LEU HA H 1 4.683 0.020 . 1 . . . A 103 LEU HA . 19354 1 1127 . 1 1 92 92 LEU HB2 H 1 1.505 0.020 . 2 . . . A 103 LEU HB2 . 19354 1 1128 . 1 1 92 92 LEU HB3 H 1 1.505 0.020 . 2 . . . A 103 LEU HB3 . 19354 1 1129 . 1 1 92 92 LEU HG H 1 1.582 0.020 . 1 . . . A 103 LEU HG . 19354 1 1130 . 1 1 92 92 LEU HD11 H 1 0.769 0.020 . 2 . . . A 103 LEU HD11 . 19354 1 1131 . 1 1 92 92 LEU HD12 H 1 0.769 0.020 . 2 . . . A 103 LEU HD12 . 19354 1 1132 . 1 1 92 92 LEU HD13 H 1 0.769 0.020 . 2 . . . A 103 LEU HD13 . 19354 1 1133 . 1 1 92 92 LEU HD21 H 1 0.701 0.020 . 2 . . . A 103 LEU HD21 . 19354 1 1134 . 1 1 92 92 LEU HD22 H 1 0.701 0.020 . 2 . . . A 103 LEU HD22 . 19354 1 1135 . 1 1 92 92 LEU HD23 H 1 0.701 0.020 . 2 . . . A 103 LEU HD23 . 19354 1 1136 . 1 1 92 92 LEU CA C 13 52.426 0.300 . 1 . . . A 103 LEU CA . 19354 1 1137 . 1 1 92 92 LEU CB C 13 42.038 0.300 . 1 . . . A 103 LEU CB . 19354 1 1138 . 1 1 92 92 LEU CG C 13 27.028 0.300 . 1 . . . A 103 LEU CG . 19354 1 1139 . 1 1 92 92 LEU CD1 C 13 24.515 0.300 . 2 . . . A 103 LEU CD1 . 19354 1 1140 . 1 1 92 92 LEU CD2 C 13 24.681 0.300 . 2 . . . A 103 LEU CD2 . 19354 1 1141 . 1 1 92 92 LEU N N 15 123.151 0.300 . 1 . . . A 103 LEU N . 19354 1 1142 . 1 1 93 93 PRO HA H 1 4.678 0.020 . 1 . . . A 104 PRO HA . 19354 1 1143 . 1 1 93 93 PRO HB2 H 1 2.237 0.020 . 2 . . . A 104 PRO HB2 . 19354 1 1144 . 1 1 93 93 PRO HB3 H 1 2.117 0.020 . 2 . . . A 104 PRO HB3 . 19354 1 1145 . 1 1 93 93 PRO HG2 H 1 1.957 0.020 . 2 . . . A 104 PRO HG2 . 19354 1 1146 . 1 1 93 93 PRO HG3 H 1 1.875 0.020 . 2 . . . A 104 PRO HG3 . 19354 1 1147 . 1 1 93 93 PRO HD2 H 1 3.824 0.020 . 2 . . . A 104 PRO HD2 . 19354 1 1148 . 1 1 93 93 PRO HD3 H 1 3.659 0.020 . 2 . . . A 104 PRO HD3 . 19354 1 1149 . 1 1 93 93 PRO CA C 13 61.704 0.300 . 1 . . . A 104 PRO CA . 19354 1 1150 . 1 1 93 93 PRO CB C 13 32.020 0.300 . 1 . . . A 104 PRO CB . 19354 1 1151 . 1 1 93 93 PRO CG C 13 27.297 0.300 . 1 . . . A 104 PRO CG . 19354 1 1152 . 1 1 93 93 PRO CD C 13 50.256 0.300 . 1 . . . A 104 PRO CD . 19354 1 1153 . 1 1 94 94 SER H H 1 7.668 0.020 . 1 . . . A 105 SER H . 19354 1 1154 . 1 1 94 94 SER HA H 1 4.632 0.020 . 1 . . . A 105 SER HA . 19354 1 1155 . 1 1 94 94 SER HB2 H 1 4.265 0.020 . 1 . . . A 105 SER HB2 . 19354 1 1156 . 1 1 94 94 SER HB3 H 1 3.894 0.020 . 1 . . . A 105 SER HB3 . 19354 1 1157 . 1 1 94 94 SER C C 13 175.473 0.300 . 1 . . . A 105 SER C . 19354 1 1158 . 1 1 94 94 SER CA C 13 56.324 0.300 . 1 . . . A 105 SER CA . 19354 1 1159 . 1 1 94 94 SER CB C 13 65.193 0.300 . 1 . . . A 105 SER CB . 19354 1 1160 . 1 1 94 94 SER N N 15 113.955 0.300 . 1 . . . A 105 SER N . 19354 1 1161 . 1 1 95 95 TYR H H 1 8.492 0.020 . 1 . . . A 106 TYR H . 19354 1 1162 . 1 1 95 95 TYR HA H 1 3.724 0.020 . 1 . . . A 106 TYR HA . 19354 1 1163 . 1 1 95 95 TYR HB2 H 1 3.294 0.020 . 2 . . . A 106 TYR HB2 . 19354 1 1164 . 1 1 95 95 TYR HB3 H 1 2.626 0.020 . 2 . . . A 106 TYR HB3 . 19354 1 1165 . 1 1 95 95 TYR HD1 H 1 6.950 0.020 . 3 . . . A 106 TYR HD1 . 19354 1 1166 . 1 1 95 95 TYR HD2 H 1 6.950 0.020 . 3 . . . A 106 TYR HD2 . 19354 1 1167 . 1 1 95 95 TYR HE1 H 1 6.688 0.020 . 3 . . . A 106 TYR HE1 . 19354 1 1168 . 1 1 95 95 TYR HE2 H 1 6.688 0.020 . 3 . . . A 106 TYR HE2 . 19354 1 1169 . 1 1 95 95 TYR C C 13 178.116 0.300 . 1 . . . A 106 TYR C . 19354 1 1170 . 1 1 95 95 TYR CA C 13 62.057 0.300 . 1 . . . A 106 TYR CA . 19354 1 1171 . 1 1 95 95 TYR CB C 13 37.925 0.300 . 1 . . . A 106 TYR CB . 19354 1 1172 . 1 1 95 95 TYR CD1 C 13 133.485 0.300 . 1 . . . A 106 TYR CD1 . 19354 1 1173 . 1 1 95 95 TYR CE1 C 13 118.180 0.300 . 1 . . . A 106 TYR CE1 . 19354 1 1174 . 1 1 95 95 TYR N N 15 122.582 0.300 . 1 . . . A 106 TYR N . 19354 1 1175 . 1 1 96 96 GLU H H 1 8.503 0.020 . 1 . . . A 107 GLU H . 19354 1 1176 . 1 1 96 96 GLU HA H 1 3.846 0.020 . 1 . . . A 107 GLU HA . 19354 1 1177 . 1 1 96 96 GLU HB2 H 1 1.932 0.020 . 2 . . . A 107 GLU HB2 . 19354 1 1178 . 1 1 96 96 GLU HB3 H 1 1.701 0.020 . 2 . . . A 107 GLU HB3 . 19354 1 1179 . 1 1 96 96 GLU HG2 H 1 2.150 0.020 . 2 . . . A 107 GLU HG2 . 19354 1 1180 . 1 1 96 96 GLU HG3 H 1 2.150 0.020 . 2 . . . A 107 GLU HG3 . 19354 1 1181 . 1 1 96 96 GLU C C 13 177.421 0.300 . 1 . . . A 107 GLU C . 19354 1 1182 . 1 1 96 96 GLU CA C 13 58.867 0.300 . 1 . . . A 107 GLU CA . 19354 1 1183 . 1 1 96 96 GLU CB C 13 28.969 0.300 . 1 . . . A 107 GLU CB . 19354 1 1184 . 1 1 96 96 GLU CG C 13 36.427 0.300 . 1 . . . A 107 GLU CG . 19354 1 1185 . 1 1 96 96 GLU N N 15 118.362 0.300 . 1 . . . A 107 GLU N . 19354 1 1186 . 1 1 97 97 MET H H 1 7.409 0.020 . 1 . . . A 108 MET H . 19354 1 1187 . 1 1 97 97 MET HA H 1 3.708 0.020 . 1 . . . A 108 MET HA . 19354 1 1188 . 1 1 97 97 MET HB2 H 1 2.139 0.020 . 2 . . . A 108 MET HB2 . 19354 1 1189 . 1 1 97 97 MET HB3 H 1 2.139 0.020 . 2 . . . A 108 MET HB3 . 19354 1 1190 . 1 1 97 97 MET HG2 H 1 2.526 0.020 . 2 . . . A 108 MET HG2 . 19354 1 1191 . 1 1 97 97 MET HG3 H 1 2.456 0.020 . 2 . . . A 108 MET HG3 . 19354 1 1192 . 1 1 97 97 MET HE1 H 1 2.006 0.020 . 1 . . . A 108 MET HE1 . 19354 1 1193 . 1 1 97 97 MET HE2 H 1 2.006 0.020 . 1 . . . A 108 MET HE2 . 19354 1 1194 . 1 1 97 97 MET HE3 H 1 2.006 0.020 . 1 . . . A 108 MET HE3 . 19354 1 1195 . 1 1 97 97 MET C C 13 176.804 0.300 . 1 . . . A 108 MET C . 19354 1 1196 . 1 1 97 97 MET CA C 13 58.648 0.300 . 1 . . . A 108 MET CA . 19354 1 1197 . 1 1 97 97 MET CB C 13 33.058 0.300 . 1 . . . A 108 MET CB . 19354 1 1198 . 1 1 97 97 MET CG C 13 32.282 0.300 . 1 . . . A 108 MET CG . 19354 1 1199 . 1 1 97 97 MET CE C 13 16.827 0.300 . 1 . . . A 108 MET CE . 19354 1 1200 . 1 1 97 97 MET N N 15 116.221 0.300 . 1 . . . A 108 MET N . 19354 1 1201 . 1 1 98 98 CYS H H 1 6.817 0.020 . 1 . . . A 109 CYS H . 19354 1 1202 . 1 1 98 98 CYS HA H 1 3.857 0.020 . 1 . . . A 109 CYS HA . 19354 1 1203 . 1 1 98 98 CYS HB2 H 1 2.278 0.020 . 2 . . . A 109 CYS HB2 . 19354 1 1204 . 1 1 98 98 CYS HB3 H 1 2.131 0.020 . 2 . . . A 109 CYS HB3 . 19354 1 1205 . 1 1 98 98 CYS C C 13 178.047 0.300 . 1 . . . A 109 CYS C . 19354 1 1206 . 1 1 98 98 CYS CA C 13 58.737 0.300 . 1 . . . A 109 CYS CA . 19354 1 1207 . 1 1 98 98 CYS CB C 13 35.006 0.300 . 1 . . . A 109 CYS CB . 19354 1 1208 . 1 1 98 98 CYS N N 15 114.131 0.300 . 1 . . . A 109 CYS N . 19354 1 1209 . 1 1 99 99 ARG H H 1 8.885 0.020 . 1 . . . A 110 ARG H . 19354 1 1210 . 1 1 99 99 ARG HA H 1 3.376 0.020 . 1 . . . A 110 ARG HA . 19354 1 1211 . 1 1 99 99 ARG HB2 H 1 1.404 0.020 . 2 . . . A 110 ARG HB2 . 19354 1 1212 . 1 1 99 99 ARG HB3 H 1 1.192 0.020 . 2 . . . A 110 ARG HB3 . 19354 1 1213 . 1 1 99 99 ARG HG2 H 1 1.381 0.020 . 2 . . . A 110 ARG HG2 . 19354 1 1214 . 1 1 99 99 ARG HG3 H 1 1.381 0.020 . 2 . . . A 110 ARG HG3 . 19354 1 1215 . 1 1 99 99 ARG HD2 H 1 2.872 0.020 . 2 . . . A 110 ARG HD2 . 19354 1 1216 . 1 1 99 99 ARG HD3 H 1 2.872 0.020 . 2 . . . A 110 ARG HD3 . 19354 1 1217 . 1 1 99 99 ARG C C 13 179.435 0.300 . 1 . . . A 110 ARG C . 19354 1 1218 . 1 1 99 99 ARG CA C 13 59.641 0.300 . 1 . . . A 110 ARG CA . 19354 1 1219 . 1 1 99 99 ARG CB C 13 29.273 0.300 . 1 . . . A 110 ARG CB . 19354 1 1220 . 1 1 99 99 ARG CG C 13 25.796 0.300 . 1 . . . A 110 ARG CG . 19354 1 1221 . 1 1 99 99 ARG CD C 13 43.003 0.300 . 1 . . . A 110 ARG CD . 19354 1 1222 . 1 1 99 99 ARG N N 15 124.629 0.300 . 1 . . . A 110 ARG N . 19354 1 1223 . 1 1 100 100 ILE H H 1 7.422 0.020 . 1 . . . A 111 ILE H . 19354 1 1224 . 1 1 100 100 ILE HA H 1 3.796 0.020 . 1 . . . A 111 ILE HA . 19354 1 1225 . 1 1 100 100 ILE HB H 1 1.853 0.020 . 1 . . . A 111 ILE HB . 19354 1 1226 . 1 1 100 100 ILE HG12 H 1 1.412 0.020 . 2 . . . A 111 ILE HG12 . 19354 1 1227 . 1 1 100 100 ILE HG13 H 1 1.150 0.020 . 2 . . . A 111 ILE HG13 . 19354 1 1228 . 1 1 100 100 ILE HG21 H 1 0.846 0.020 . 1 . . . A 111 ILE HG21 . 19354 1 1229 . 1 1 100 100 ILE HG22 H 1 0.846 0.020 . 1 . . . A 111 ILE HG22 . 19354 1 1230 . 1 1 100 100 ILE HG23 H 1 0.846 0.020 . 1 . . . A 111 ILE HG23 . 19354 1 1231 . 1 1 100 100 ILE HD11 H 1 0.780 0.020 . 1 . . . A 111 ILE HD11 . 19354 1 1232 . 1 1 100 100 ILE HD12 H 1 0.780 0.020 . 1 . . . A 111 ILE HD12 . 19354 1 1233 . 1 1 100 100 ILE HD13 H 1 0.780 0.020 . 1 . . . A 111 ILE HD13 . 19354 1 1234 . 1 1 100 100 ILE C C 13 175.624 0.300 . 1 . . . A 111 ILE C . 19354 1 1235 . 1 1 100 100 ILE CA C 13 63.811 0.300 . 1 . . . A 111 ILE CA . 19354 1 1236 . 1 1 100 100 ILE CB C 13 38.229 0.300 . 1 . . . A 111 ILE CB . 19354 1 1237 . 1 1 100 100 ILE CG1 C 13 26.623 0.300 . 1 . . . A 111 ILE CG1 . 19354 1 1238 . 1 1 100 100 ILE CG2 C 13 17.501 0.300 . 1 . . . A 111 ILE CG2 . 19354 1 1239 . 1 1 100 100 ILE CD1 C 13 14.098 0.300 . 1 . . . A 111 ILE CD1 . 19354 1 1240 . 1 1 100 100 ILE N N 15 113.379 0.300 . 1 . . . A 111 ILE N . 19354 1 1241 . 1 1 101 101 THR H H 1 7.574 0.020 . 1 . . . A 112 THR H . 19354 1 1242 . 1 1 101 101 THR HA H 1 3.889 0.020 . 1 . . . A 112 THR HA . 19354 1 1243 . 1 1 101 101 THR HB H 1 4.129 0.020 . 1 . . . A 112 THR HB . 19354 1 1244 . 1 1 101 101 THR HG21 H 1 1.111 0.020 . 1 . . . A 112 THR HG21 . 19354 1 1245 . 1 1 101 101 THR HG22 H 1 1.111 0.020 . 1 . . . A 112 THR HG22 . 19354 1 1246 . 1 1 101 101 THR HG23 H 1 1.111 0.020 . 1 . . . A 112 THR HG23 . 19354 1 1247 . 1 1 101 101 THR C C 13 175.798 0.300 . 1 . . . A 112 THR C . 19354 1 1248 . 1 1 101 101 THR CA C 13 62.856 0.300 . 1 . . . A 112 THR CA . 19354 1 1249 . 1 1 101 101 THR CB C 13 70.168 0.300 . 1 . . . A 112 THR CB . 19354 1 1250 . 1 1 101 101 THR CG2 C 13 22.263 0.300 . 1 . . . A 112 THR CG2 . 19354 1 1251 . 1 1 101 101 THR N N 15 109.403 0.300 . 1 . . . A 112 THR N . 19354 1 1252 . 1 1 102 102 MET H H 1 7.152 0.020 . 1 . . . A 113 MET H . 19354 1 1253 . 1 1 102 102 MET HA H 1 3.541 0.020 . 1 . . . A 113 MET HA . 19354 1 1254 . 1 1 102 102 MET HB2 H 1 2.070 0.020 . 2 . . . A 113 MET HB2 . 19354 1 1255 . 1 1 102 102 MET HB3 H 1 2.070 0.020 . 2 . . . A 113 MET HB3 . 19354 1 1256 . 1 1 102 102 MET HG2 H 1 2.455 0.020 . 2 . . . A 113 MET HG2 . 19354 1 1257 . 1 1 102 102 MET HG3 H 1 2.455 0.020 . 2 . . . A 113 MET HG3 . 19354 1 1258 . 1 1 102 102 MET HE1 H 1 1.862 0.020 . 1 . . . A 113 MET HE1 . 19354 1 1259 . 1 1 102 102 MET HE2 H 1 1.862 0.020 . 1 . . . A 113 MET HE2 . 19354 1 1260 . 1 1 102 102 MET HE3 H 1 1.862 0.020 . 1 . . . A 113 MET HE3 . 19354 1 1261 . 1 1 102 102 MET C C 13 177.174 0.300 . 1 . . . A 113 MET C . 19354 1 1262 . 1 1 102 102 MET CA C 13 60.235 0.300 . 1 . . . A 113 MET CA . 19354 1 1263 . 1 1 102 102 MET CB C 13 32.338 0.300 . 1 . . . A 113 MET CB . 19354 1 1264 . 1 1 102 102 MET CG C 13 32.327 0.300 . 1 . . . A 113 MET CG . 19354 1 1265 . 1 1 102 102 MET CE C 13 16.098 0.300 . 1 . . . A 113 MET CE . 19354 1 1266 . 1 1 102 102 MET N N 15 119.638 0.300 . 1 . . . A 113 MET N . 19354 1 1267 . 1 1 103 103 GLU H H 1 8.580 0.020 . 1 . . . A 114 GLU H . 19354 1 1268 . 1 1 103 103 GLU HA H 1 4.114 0.020 . 1 . . . A 114 GLU HA . 19354 1 1269 . 1 1 103 103 GLU HB2 H 1 1.952 0.020 . 2 . . . A 114 GLU HB2 . 19354 1 1270 . 1 1 103 103 GLU HB3 H 1 1.872 0.020 . 2 . . . A 114 GLU HB3 . 19354 1 1271 . 1 1 103 103 GLU HG2 H 1 2.105 0.020 . 2 . . . A 114 GLU HG2 . 19354 1 1272 . 1 1 103 103 GLU HG3 H 1 2.105 0.020 . 2 . . . A 114 GLU HG3 . 19354 1 1273 . 1 1 103 103 GLU CA C 13 60.422 0.300 . 1 . . . A 114 GLU CA . 19354 1 1274 . 1 1 103 103 GLU CB C 13 26.103 0.300 . 1 . . . A 114 GLU CB . 19354 1 1275 . 1 1 103 103 GLU CG C 13 36.005 0.300 . 1 . . . A 114 GLU CG . 19354 1 1276 . 1 1 103 103 GLU N N 15 117.224 0.300 . 1 . . . A 114 GLU N . 19354 1 1277 . 1 1 104 104 PRO HA H 1 4.304 0.020 . 1 . . . A 115 PRO HA . 19354 1 1278 . 1 1 104 104 PRO HB2 H 1 1.981 0.020 . 2 . . . A 115 PRO HB2 . 19354 1 1279 . 1 1 104 104 PRO HB3 H 1 1.437 0.020 . 2 . . . A 115 PRO HB3 . 19354 1 1280 . 1 1 104 104 PRO HG2 H 1 1.978 0.020 . 2 . . . A 115 PRO HG2 . 19354 1 1281 . 1 1 104 104 PRO HG3 H 1 1.907 0.020 . 2 . . . A 115 PRO HG3 . 19354 1 1282 . 1 1 104 104 PRO HD2 H 1 3.597 0.020 . 2 . . . A 115 PRO HD2 . 19354 1 1283 . 1 1 104 104 PRO HD3 H 1 3.423 0.020 . 2 . . . A 115 PRO HD3 . 19354 1 1284 . 1 1 104 104 PRO CA C 13 65.128 0.300 . 1 . . . A 115 PRO CA . 19354 1 1285 . 1 1 104 104 PRO CB C 13 31.141 0.300 . 1 . . . A 115 PRO CB . 19354 1 1286 . 1 1 104 104 PRO CG C 13 27.893 0.300 . 1 . . . A 115 PRO CG . 19354 1 1287 . 1 1 104 104 PRO CD C 13 50.204 0.300 . 1 . . . A 115 PRO CD . 19354 1 1288 . 1 1 105 105 CYS H H 1 7.208 0.020 . 1 . . . A 116 CYS H . 19354 1 1289 . 1 1 105 105 CYS HA H 1 4.679 0.020 . 1 . . . A 116 CYS HA . 19354 1 1290 . 1 1 105 105 CYS HB2 H 1 3.187 0.020 . 2 . . . A 116 CYS HB2 . 19354 1 1291 . 1 1 105 105 CYS HB3 H 1 3.071 0.020 . 2 . . . A 116 CYS HB3 . 19354 1 1292 . 1 1 105 105 CYS C C 13 174.808 0.300 . 1 . . . A 116 CYS C . 19354 1 1293 . 1 1 105 105 CYS CA C 13 54.060 0.300 . 1 . . . A 116 CYS CA . 19354 1 1294 . 1 1 105 105 CYS CB C 13 42.879 0.300 . 1 . . . A 116 CYS CB . 19354 1 1295 . 1 1 105 105 CYS N N 15 111.879 0.300 . 1 . . . A 116 CYS N . 19354 1 1296 . 1 1 106 106 ARG H H 1 7.436 0.020 . 1 . . . A 117 ARG H . 19354 1 1297 . 1 1 106 106 ARG HA H 1 3.161 0.020 . 1 . . . A 117 ARG HA . 19354 1 1298 . 1 1 106 106 ARG HB2 H 1 1.906 0.020 . 2 . . . A 117 ARG HB2 . 19354 1 1299 . 1 1 106 106 ARG HB3 H 1 1.642 0.020 . 2 . . . A 117 ARG HB3 . 19354 1 1300 . 1 1 106 106 ARG HG2 H 1 1.368 0.020 . 2 . . . A 117 ARG HG2 . 19354 1 1301 . 1 1 106 106 ARG HG3 H 1 1.368 0.020 . 2 . . . A 117 ARG HG3 . 19354 1 1302 . 1 1 106 106 ARG HD2 H 1 3.049 0.020 . 2 . . . A 117 ARG HD2 . 19354 1 1303 . 1 1 106 106 ARG HD3 H 1 3.049 0.020 . 2 . . . A 117 ARG HD3 . 19354 1 1304 . 1 1 106 106 ARG HE H 1 7.016 0.020 . 1 . . . A 117 ARG HE . 19354 1 1305 . 1 1 106 106 ARG C C 13 178.210 0.300 . 1 . . . A 117 ARG C . 19354 1 1306 . 1 1 106 106 ARG CA C 13 59.743 0.300 . 1 . . . A 117 ARG CA . 19354 1 1307 . 1 1 106 106 ARG CB C 13 29.486 0.300 . 1 . . . A 117 ARG CB . 19354 1 1308 . 1 1 106 106 ARG CG C 13 26.057 0.300 . 1 . . . A 117 ARG CG . 19354 1 1309 . 1 1 106 106 ARG CD C 13 43.243 0.300 . 1 . . . A 117 ARG CD . 19354 1 1310 . 1 1 106 106 ARG N N 15 123.750 0.300 . 1 . . . A 117 ARG N . 19354 1 1311 . 1 1 107 107 ILE H H 1 8.130 0.020 . 1 . . . A 118 ILE H . 19354 1 1312 . 1 1 107 107 ILE HA H 1 4.000 0.020 . 1 . . . A 118 ILE HA . 19354 1 1313 . 1 1 107 107 ILE HB H 1 1.844 0.020 . 1 . . . A 118 ILE HB . 19354 1 1314 . 1 1 107 107 ILE HG12 H 1 1.363 0.020 . 2 . . . A 118 ILE HG12 . 19354 1 1315 . 1 1 107 107 ILE HG13 H 1 1.214 0.020 . 2 . . . A 118 ILE HG13 . 19354 1 1316 . 1 1 107 107 ILE HG21 H 1 0.831 0.020 . 1 . . . A 118 ILE HG21 . 19354 1 1317 . 1 1 107 107 ILE HG22 H 1 0.831 0.020 . 1 . . . A 118 ILE HG22 . 19354 1 1318 . 1 1 107 107 ILE HG23 H 1 0.831 0.020 . 1 . . . A 118 ILE HG23 . 19354 1 1319 . 1 1 107 107 ILE HD11 H 1 0.788 0.020 . 1 . . . A 118 ILE HD11 . 19354 1 1320 . 1 1 107 107 ILE HD12 H 1 0.788 0.020 . 1 . . . A 118 ILE HD12 . 19354 1 1321 . 1 1 107 107 ILE HD13 H 1 0.788 0.020 . 1 . . . A 118 ILE HD13 . 19354 1 1322 . 1 1 107 107 ILE C C 13 176.577 0.300 . 1 . . . A 118 ILE C . 19354 1 1323 . 1 1 107 107 ILE CA C 13 63.166 0.300 . 1 . . . A 118 ILE CA . 19354 1 1324 . 1 1 107 107 ILE CB C 13 37.781 0.300 . 1 . . . A 118 ILE CB . 19354 1 1325 . 1 1 107 107 ILE CG1 C 13 27.844 0.300 . 1 . . . A 118 ILE CG1 . 19354 1 1326 . 1 1 107 107 ILE CG2 C 13 17.306 0.300 . 1 . . . A 118 ILE CG2 . 19354 1 1327 . 1 1 107 107 ILE CD1 C 13 13.593 0.300 . 1 . . . A 118 ILE CD1 . 19354 1 1328 . 1 1 107 107 ILE N N 15 116.384 0.300 . 1 . . . A 118 ILE N . 19354 1 1329 . 1 1 108 108 LEU H H 1 7.771 0.020 . 1 . . . A 119 LEU H . 19354 1 1330 . 1 1 108 108 LEU HA H 1 4.540 0.020 . 1 . . . A 119 LEU HA . 19354 1 1331 . 1 1 108 108 LEU HB2 H 1 1.805 0.020 . 2 . . . A 119 LEU HB2 . 19354 1 1332 . 1 1 108 108 LEU HB3 H 1 1.685 0.020 . 2 . . . A 119 LEU HB3 . 19354 1 1333 . 1 1 108 108 LEU HG H 1 1.504 0.020 . 1 . . . A 119 LEU HG . 19354 1 1334 . 1 1 108 108 LEU HD11 H 1 0.910 0.020 . 2 . . . A 119 LEU HD11 . 19354 1 1335 . 1 1 108 108 LEU HD12 H 1 0.910 0.020 . 2 . . . A 119 LEU HD12 . 19354 1 1336 . 1 1 108 108 LEU HD13 H 1 0.910 0.020 . 2 . . . A 119 LEU HD13 . 19354 1 1337 . 1 1 108 108 LEU HD21 H 1 0.826 0.020 . 2 . . . A 119 LEU HD21 . 19354 1 1338 . 1 1 108 108 LEU HD22 H 1 0.826 0.020 . 2 . . . A 119 LEU HD22 . 19354 1 1339 . 1 1 108 108 LEU HD23 H 1 0.826 0.020 . 2 . . . A 119 LEU HD23 . 19354 1 1340 . 1 1 108 108 LEU C C 13 178.346 0.300 . 1 . . . A 119 LEU C . 19354 1 1341 . 1 1 108 108 LEU CA C 13 54.697 0.300 . 1 . . . A 119 LEU CA . 19354 1 1342 . 1 1 108 108 LEU CB C 13 42.872 0.300 . 1 . . . A 119 LEU CB . 19354 1 1343 . 1 1 108 108 LEU CG C 13 27.304 0.300 . 1 . . . A 119 LEU CG . 19354 1 1344 . 1 1 108 108 LEU CD1 C 13 26.603 0.300 . 2 . . . A 119 LEU CD1 . 19354 1 1345 . 1 1 108 108 LEU CD2 C 13 22.845 0.300 . 2 . . . A 119 LEU CD2 . 19354 1 1346 . 1 1 108 108 LEU N N 15 119.738 0.300 . 1 . . . A 119 LEU N . 19354 1 1347 . 1 1 109 109 TYR H H 1 7.886 0.020 . 1 . . . A 120 TYR H . 19354 1 1348 . 1 1 109 109 TYR HA H 1 4.125 0.020 . 1 . . . A 120 TYR HA . 19354 1 1349 . 1 1 109 109 TYR HB2 H 1 2.965 0.020 . 2 . . . A 120 TYR HB2 . 19354 1 1350 . 1 1 109 109 TYR HB3 H 1 2.903 0.020 . 2 . . . A 120 TYR HB3 . 19354 1 1351 . 1 1 109 109 TYR HD1 H 1 6.459 0.020 . 3 . . . A 120 TYR HD1 . 19354 1 1352 . 1 1 109 109 TYR HD2 H 1 6.459 0.020 . 3 . . . A 120 TYR HD2 . 19354 1 1353 . 1 1 109 109 TYR HE1 H 1 7.004 0.020 . 3 . . . A 120 TYR HE1 . 19354 1 1354 . 1 1 109 109 TYR HE2 H 1 7.004 0.020 . 3 . . . A 120 TYR HE2 . 19354 1 1355 . 1 1 109 109 TYR C C 13 176.169 0.300 . 1 . . . A 120 TYR C . 19354 1 1356 . 1 1 109 109 TYR CA C 13 59.682 0.300 . 1 . . . A 120 TYR CA . 19354 1 1357 . 1 1 109 109 TYR CB C 13 37.180 0.300 . 1 . . . A 120 TYR CB . 19354 1 1358 . 1 1 109 109 TYR CD1 C 13 131.938 0.300 . 1 . . . A 120 TYR CD1 . 19354 1 1359 . 1 1 109 109 TYR CE1 C 13 120.703 0.300 . 1 . . . A 120 TYR CE1 . 19354 1 1360 . 1 1 109 109 TYR N N 15 121.945 0.300 . 1 . . . A 120 TYR N . 19354 1 1361 . 1 1 110 110 ASN H H 1 8.228 0.020 . 1 . . . A 121 ASN H . 19354 1 1362 . 1 1 110 110 ASN HA H 1 4.885 0.020 . 1 . . . A 121 ASN HA . 19354 1 1363 . 1 1 110 110 ASN HB2 H 1 2.886 0.020 . 2 . . . A 121 ASN HB2 . 19354 1 1364 . 1 1 110 110 ASN HB3 H 1 2.805 0.020 . 2 . . . A 121 ASN HB3 . 19354 1 1365 . 1 1 110 110 ASN HD21 H 1 7.568 0.020 . 2 . . . A 121 ASN HD21 . 19354 1 1366 . 1 1 110 110 ASN HD22 H 1 6.795 0.020 . 2 . . . A 121 ASN HD22 . 19354 1 1367 . 1 1 110 110 ASN C C 13 175.612 0.300 . 1 . . . A 121 ASN C . 19354 1 1368 . 1 1 110 110 ASN CA C 13 52.670 0.300 . 1 . . . A 121 ASN CA . 19354 1 1369 . 1 1 110 110 ASN CB C 13 38.058 0.300 . 1 . . . A 121 ASN CB . 19354 1 1370 . 1 1 110 110 ASN N N 15 115.992 0.300 . 1 . . . A 121 ASN N . 19354 1 1371 . 1 1 110 110 ASN ND2 N 15 111.975 0.300 . 1 . . . A 121 ASN ND2 . 19354 1 1372 . 1 1 111 111 THR H H 1 7.649 0.020 . 1 . . . A 122 THR H . 19354 1 1373 . 1 1 111 111 THR HA H 1 4.682 0.020 . 1 . . . A 122 THR HA . 19354 1 1374 . 1 1 111 111 THR HB H 1 4.469 0.020 . 1 . . . A 122 THR HB . 19354 1 1375 . 1 1 111 111 THR HG21 H 1 1.288 0.020 . 1 . . . A 122 THR HG21 . 19354 1 1376 . 1 1 111 111 THR HG22 H 1 1.288 0.020 . 1 . . . A 122 THR HG22 . 19354 1 1377 . 1 1 111 111 THR HG23 H 1 1.288 0.020 . 1 . . . A 122 THR HG23 . 19354 1 1378 . 1 1 111 111 THR C C 13 175.844 0.300 . 1 . . . A 122 THR C . 19354 1 1379 . 1 1 111 111 THR CA C 13 61.815 0.300 . 1 . . . A 122 THR CA . 19354 1 1380 . 1 1 111 111 THR CB C 13 72.484 0.300 . 1 . . . A 122 THR CB . 19354 1 1381 . 1 1 111 111 THR CG2 C 13 21.264 0.300 . 1 . . . A 122 THR CG2 . 19354 1 1382 . 1 1 111 111 THR N N 15 109.094 0.300 . 1 . . . A 122 THR N . 19354 1 1383 . 1 1 112 112 THR H H 1 8.261 0.020 . 1 . . . A 123 THR H . 19354 1 1384 . 1 1 112 112 THR HA H 1 4.026 0.020 . 1 . . . A 123 THR HA . 19354 1 1385 . 1 1 112 112 THR HB H 1 4.134 0.020 . 1 . . . A 123 THR HB . 19354 1 1386 . 1 1 112 112 THR HG21 H 1 0.981 0.020 . 1 . . . A 123 THR HG21 . 19354 1 1387 . 1 1 112 112 THR HG22 H 1 0.981 0.020 . 1 . . . A 123 THR HG22 . 19354 1 1388 . 1 1 112 112 THR HG23 H 1 0.981 0.020 . 1 . . . A 123 THR HG23 . 19354 1 1389 . 1 1 112 112 THR C C 13 175.033 0.300 . 1 . . . A 123 THR C . 19354 1 1390 . 1 1 112 112 THR CA C 13 63.174 0.300 . 1 . . . A 123 THR CA . 19354 1 1391 . 1 1 112 112 THR CB C 13 68.529 0.300 . 1 . . . A 123 THR CB . 19354 1 1392 . 1 1 112 112 THR CG2 C 13 21.201 0.300 . 1 . . . A 123 THR CG2 . 19354 1 1393 . 1 1 112 112 THR N N 15 112.067 0.300 . 1 . . . A 123 THR N . 19354 1 1394 . 1 1 113 113 PHE H H 1 7.764 0.020 . 1 . . . A 124 PHE H . 19354 1 1395 . 1 1 113 113 PHE HA H 1 4.153 0.020 . 1 . . . A 124 PHE HA . 19354 1 1396 . 1 1 113 113 PHE HB2 H 1 2.884 0.020 . 2 . . . A 124 PHE HB2 . 19354 1 1397 . 1 1 113 113 PHE HB3 H 1 2.884 0.020 . 2 . . . A 124 PHE HB3 . 19354 1 1398 . 1 1 113 113 PHE HD1 H 1 6.844 0.020 . 3 . . . A 124 PHE HD1 . 19354 1 1399 . 1 1 113 113 PHE HD2 H 1 6.844 0.020 . 3 . . . A 124 PHE HD2 . 19354 1 1400 . 1 1 113 113 PHE HE1 H 1 7.025 0.020 . 3 . . . A 124 PHE HE1 . 19354 1 1401 . 1 1 113 113 PHE HE2 H 1 7.025 0.020 . 3 . . . A 124 PHE HE2 . 19354 1 1402 . 1 1 113 113 PHE C C 13 175.398 0.300 . 1 . . . A 124 PHE C . 19354 1 1403 . 1 1 113 113 PHE CA C 13 59.890 0.300 . 1 . . . A 124 PHE CA . 19354 1 1404 . 1 1 113 113 PHE CB C 13 39.668 0.300 . 1 . . . A 124 PHE CB . 19354 1 1405 . 1 1 113 113 PHE CD2 C 13 131.517 0.300 . 3 . . . A 124 PHE CD2 . 19354 1 1406 . 1 1 113 113 PHE CE2 C 13 131.784 0.300 . 3 . . . A 124 PHE CE2 . 19354 1 1407 . 1 1 113 113 PHE N N 15 118.139 0.300 . 1 . . . A 124 PHE N . 19354 1 1408 . 1 1 114 114 PHE H H 1 7.670 0.020 . 1 . . . A 125 PHE H . 19354 1 1409 . 1 1 114 114 PHE HA H 1 4.662 0.020 . 1 . . . A 125 PHE HA . 19354 1 1410 . 1 1 114 114 PHE HB2 H 1 2.789 0.020 . 2 . . . A 125 PHE HB2 . 19354 1 1411 . 1 1 114 114 PHE HB3 H 1 2.574 0.020 . 2 . . . A 125 PHE HB3 . 19354 1 1412 . 1 1 114 114 PHE HD1 H 1 6.754 0.020 . 3 . . . A 125 PHE HD1 . 19354 1 1413 . 1 1 114 114 PHE HD2 H 1 6.754 0.020 . 3 . . . A 125 PHE HD2 . 19354 1 1414 . 1 1 114 114 PHE HE1 H 1 7.029 0.020 . 3 . . . A 125 PHE HE1 . 19354 1 1415 . 1 1 114 114 PHE HE2 H 1 7.029 0.020 . 3 . . . A 125 PHE HE2 . 19354 1 1416 . 1 1 114 114 PHE CA C 13 56.245 0.300 . 1 . . . A 125 PHE CA . 19354 1 1417 . 1 1 114 114 PHE CB C 13 38.810 0.300 . 1 . . . A 125 PHE CB . 19354 1 1418 . 1 1 114 114 PHE CD1 C 13 132.999 0.300 . 3 . . . A 125 PHE CD1 . 19354 1 1419 . 1 1 114 114 PHE CE1 C 13 130.252 0.300 . 3 . . . A 125 PHE CE1 . 19354 1 1420 . 1 1 114 114 PHE N N 15 118.447 0.300 . 1 . . . A 125 PHE N . 19354 1 1421 . 1 1 115 115 PRO HA H 1 4.398 0.020 . 1 . . . A 126 PRO HA . 19354 1 1422 . 1 1 115 115 PRO HB2 H 1 2.140 0.020 . 2 . . . A 126 PRO HB2 . 19354 1 1423 . 1 1 115 115 PRO HB3 H 1 1.387 0.020 . 2 . . . A 126 PRO HB3 . 19354 1 1424 . 1 1 115 115 PRO HG2 H 1 1.651 0.020 . 2 . . . A 126 PRO HG2 . 19354 1 1425 . 1 1 115 115 PRO HG3 H 1 1.651 0.020 . 2 . . . A 126 PRO HG3 . 19354 1 1426 . 1 1 115 115 PRO HD2 H 1 3.327 0.020 . 2 . . . A 126 PRO HD2 . 19354 1 1427 . 1 1 115 115 PRO HD3 H 1 3.128 0.020 . 2 . . . A 126 PRO HD3 . 19354 1 1428 . 1 1 115 115 PRO CA C 13 62.432 0.300 . 1 . . . A 126 PRO CA . 19354 1 1429 . 1 1 115 115 PRO CB C 13 32.670 0.300 . 1 . . . A 126 PRO CB . 19354 1 1430 . 1 1 115 115 PRO CG C 13 26.937 0.300 . 1 . . . A 126 PRO CG . 19354 1 1431 . 1 1 115 115 PRO CD C 13 50.420 0.300 . 1 . . . A 126 PRO CD . 19354 1 1432 . 1 1 116 116 LYS H H 1 8.565 0.020 . 1 . . . A 127 LYS H . 19354 1 1433 . 1 1 116 116 LYS HA H 1 3.580 0.020 . 1 . . . A 127 LYS HA . 19354 1 1434 . 1 1 116 116 LYS HB2 H 1 1.753 0.020 . 2 . . . A 127 LYS HB2 . 19354 1 1435 . 1 1 116 116 LYS HB3 H 1 1.753 0.020 . 2 . . . A 127 LYS HB3 . 19354 1 1436 . 1 1 116 116 LYS HG2 H 1 1.401 0.020 . 2 . . . A 127 LYS HG2 . 19354 1 1437 . 1 1 116 116 LYS HG3 H 1 1.314 0.020 . 2 . . . A 127 LYS HG3 . 19354 1 1438 . 1 1 116 116 LYS HD2 H 1 1.587 0.020 . 2 . . . A 127 LYS HD2 . 19354 1 1439 . 1 1 116 116 LYS HD3 H 1 1.587 0.020 . 2 . . . A 127 LYS HD3 . 19354 1 1440 . 1 1 116 116 LYS HE2 H 1 2.836 0.020 . 2 . . . A 127 LYS HE2 . 19354 1 1441 . 1 1 116 116 LYS HE3 H 1 2.836 0.020 . 2 . . . A 127 LYS HE3 . 19354 1 1442 . 1 1 116 116 LYS C C 13 177.977 0.300 . 1 . . . A 127 LYS C . 19354 1 1443 . 1 1 116 116 LYS CA C 13 60.279 0.300 . 1 . . . A 127 LYS CA . 19354 1 1444 . 1 1 116 116 LYS CB C 13 31.599 0.300 . 1 . . . A 127 LYS CB . 19354 1 1445 . 1 1 116 116 LYS CG C 13 24.915 0.300 . 1 . . . A 127 LYS CG . 19354 1 1446 . 1 1 116 116 LYS CD C 13 28.946 0.300 . 1 . . . A 127 LYS CD . 19354 1 1447 . 1 1 116 116 LYS CE C 13 42.607 0.300 . 1 . . . A 127 LYS CE . 19354 1 1448 . 1 1 116 116 LYS N N 15 118.753 0.300 . 1 . . . A 127 LYS N . 19354 1 1449 . 1 1 117 117 PHE H H 1 6.795 0.020 . 1 . . . A 128 PHE H . 19354 1 1450 . 1 1 117 117 PHE HA H 1 4.481 0.020 . 1 . . . A 128 PHE HA . 19354 1 1451 . 1 1 117 117 PHE HB2 H 1 3.487 0.020 . 2 . . . A 128 PHE HB2 . 19354 1 1452 . 1 1 117 117 PHE HB3 H 1 2.661 0.020 . 2 . . . A 128 PHE HB3 . 19354 1 1453 . 1 1 117 117 PHE HD1 H 1 7.036 0.020 . 3 . . . A 128 PHE HD1 . 19354 1 1454 . 1 1 117 117 PHE HD2 H 1 7.036 0.020 . 3 . . . A 128 PHE HD2 . 19354 1 1455 . 1 1 117 117 PHE HE1 H 1 6.900 0.020 . 3 . . . A 128 PHE HE1 . 19354 1 1456 . 1 1 117 117 PHE HE2 H 1 6.900 0.020 . 3 . . . A 128 PHE HE2 . 19354 1 1457 . 1 1 117 117 PHE HZ H 1 7.343 0.020 . 1 . . . A 128 PHE HZ . 19354 1 1458 . 1 1 117 117 PHE C C 13 173.946 0.300 . 1 . . . A 128 PHE C . 19354 1 1459 . 1 1 117 117 PHE CA C 13 57.841 0.300 . 1 . . . A 128 PHE CA . 19354 1 1460 . 1 1 117 117 PHE CB C 13 36.807 0.300 . 1 . . . A 128 PHE CB . 19354 1 1461 . 1 1 117 117 PHE CD1 C 13 133.281 0.300 . 1 . . . A 128 PHE CD1 . 19354 1 1462 . 1 1 117 117 PHE CE1 C 13 132.398 0.300 . 1 . . . A 128 PHE CE1 . 19354 1 1463 . 1 1 117 117 PHE CZ C 13 131.403 0.300 . 1 . . . A 128 PHE CZ . 19354 1 1464 . 1 1 117 117 PHE N N 15 110.638 0.300 . 1 . . . A 128 PHE N . 19354 1 1465 . 1 1 118 118 LEU H H 1 7.204 0.020 . 1 . . . A 129 LEU H . 19354 1 1466 . 1 1 118 118 LEU HA H 1 4.710 0.020 . 1 . . . A 129 LEU HA . 19354 1 1467 . 1 1 118 118 LEU HB2 H 1 1.792 0.020 . 2 . . . A 129 LEU HB2 . 19354 1 1468 . 1 1 118 118 LEU HB3 H 1 1.024 0.020 . 2 . . . A 129 LEU HB3 . 19354 1 1469 . 1 1 118 118 LEU HG H 1 1.826 0.020 . 1 . . . A 129 LEU HG . 19354 1 1470 . 1 1 118 118 LEU HD11 H 1 0.736 0.020 . 2 . . . A 129 LEU HD11 . 19354 1 1471 . 1 1 118 118 LEU HD12 H 1 0.736 0.020 . 2 . . . A 129 LEU HD12 . 19354 1 1472 . 1 1 118 118 LEU HD13 H 1 0.736 0.020 . 2 . . . A 129 LEU HD13 . 19354 1 1473 . 1 1 118 118 LEU HD21 H 1 0.691 0.020 . 2 . . . A 129 LEU HD21 . 19354 1 1474 . 1 1 118 118 LEU HD22 H 1 0.691 0.020 . 2 . . . A 129 LEU HD22 . 19354 1 1475 . 1 1 118 118 LEU HD23 H 1 0.691 0.020 . 2 . . . A 129 LEU HD23 . 19354 1 1476 . 1 1 118 118 LEU C C 13 175.398 0.300 . 1 . . . A 129 LEU C . 19354 1 1477 . 1 1 118 118 LEU CA C 13 53.169 0.300 . 1 . . . A 129 LEU CA . 19354 1 1478 . 1 1 118 118 LEU CB C 13 44.901 0.300 . 1 . . . A 129 LEU CB . 19354 1 1479 . 1 1 118 118 LEU CG C 13 24.522 0.300 . 1 . . . A 129 LEU CG . 19354 1 1480 . 1 1 118 118 LEU CD1 C 13 25.563 0.300 . 2 . . . A 129 LEU CD1 . 19354 1 1481 . 1 1 118 118 LEU CD2 C 13 25.567 0.300 . 2 . . . A 129 LEU CD2 . 19354 1 1482 . 1 1 118 118 LEU N N 15 119.653 0.300 . 1 . . . A 129 LEU N . 19354 1 1483 . 1 1 119 119 ARG H H 1 7.090 0.020 . 1 . . . A 130 ARG H . 19354 1 1484 . 1 1 119 119 ARG HA H 1 4.328 0.020 . 1 . . . A 130 ARG HA . 19354 1 1485 . 1 1 119 119 ARG HB2 H 1 1.742 0.020 . 2 . . . A 130 ARG HB2 . 19354 1 1486 . 1 1 119 119 ARG HB3 H 1 1.742 0.020 . 2 . . . A 130 ARG HB3 . 19354 1 1487 . 1 1 119 119 ARG HG2 H 1 1.587 0.020 . 2 . . . A 130 ARG HG2 . 19354 1 1488 . 1 1 119 119 ARG HG3 H 1 1.587 0.020 . 2 . . . A 130 ARG HG3 . 19354 1 1489 . 1 1 119 119 ARG HD2 H 1 2.791 0.020 . 2 . . . A 130 ARG HD2 . 19354 1 1490 . 1 1 119 119 ARG HD3 H 1 2.791 0.020 . 2 . . . A 130 ARG HD3 . 19354 1 1491 . 1 1 119 119 ARG C C 13 177.099 0.300 . 1 . . . A 130 ARG C . 19354 1 1492 . 1 1 119 119 ARG CA C 13 55.250 0.300 . 1 . . . A 130 ARG CA . 19354 1 1493 . 1 1 119 119 ARG CB C 13 30.355 0.300 . 1 . . . A 130 ARG CB . 19354 1 1494 . 1 1 119 119 ARG CG C 13 27.160 0.300 . 1 . . . A 130 ARG CG . 19354 1 1495 . 1 1 119 119 ARG CD C 13 42.817 0.300 . 1 . . . A 130 ARG CD . 19354 1 1496 . 1 1 119 119 ARG N N 15 116.807 0.300 . 1 . . . A 130 ARG N . 19354 1 1497 . 1 1 120 120 CYS H H 1 8.210 0.020 . 1 . . . A 131 CYS H . 19354 1 1498 . 1 1 120 120 CYS HA H 1 4.588 0.020 . 1 . . . A 131 CYS HA . 19354 1 1499 . 1 1 120 120 CYS HB2 H 1 2.881 0.020 . 2 . . . A 131 CYS HB2 . 19354 1 1500 . 1 1 120 120 CYS HB3 H 1 2.733 0.020 . 2 . . . A 131 CYS HB3 . 19354 1 1501 . 1 1 120 120 CYS C C 13 175.022 0.300 . 1 . . . A 131 CYS C . 19354 1 1502 . 1 1 120 120 CYS CA C 13 54.449 0.300 . 1 . . . A 131 CYS CA . 19354 1 1503 . 1 1 120 120 CYS CB C 13 34.958 0.300 . 1 . . . A 131 CYS CB . 19354 1 1504 . 1 1 120 120 CYS N N 15 117.271 0.300 . 1 . . . A 131 CYS N . 19354 1 1505 . 1 1 121 121 ASN H H 1 7.801 0.020 . 1 . . . A 132 ASN H . 19354 1 1506 . 1 1 121 121 ASN HA H 1 4.811 0.020 . 1 . . . A 132 ASN HA . 19354 1 1507 . 1 1 121 121 ASN HB2 H 1 2.839 0.020 . 2 . . . A 132 ASN HB2 . 19354 1 1508 . 1 1 121 121 ASN HB3 H 1 2.670 0.020 . 2 . . . A 132 ASN HB3 . 19354 1 1509 . 1 1 121 121 ASN HD21 H 1 7.657 0.020 . 2 . . . A 132 ASN HD21 . 19354 1 1510 . 1 1 121 121 ASN HD22 H 1 6.952 0.020 . 2 . . . A 132 ASN HD22 . 19354 1 1511 . 1 1 121 121 ASN C C 13 175.080 0.300 . 1 . . . A 132 ASN C . 19354 1 1512 . 1 1 121 121 ASN CA C 13 53.188 0.300 . 1 . . . A 132 ASN CA . 19354 1 1513 . 1 1 121 121 ASN CB C 13 40.003 0.300 . 1 . . . A 132 ASN CB . 19354 1 1514 . 1 1 121 121 ASN N N 15 120.232 0.300 . 1 . . . A 132 ASN N . 19354 1 1515 . 1 1 121 121 ASN ND2 N 15 114.087 0.300 . 1 . . . A 132 ASN ND2 . 19354 1 1516 . 1 1 122 122 GLU H H 1 9.086 0.020 . 1 . . . A 133 GLU H . 19354 1 1517 . 1 1 122 122 GLU HA H 1 4.225 0.020 . 1 . . . A 133 GLU HA . 19354 1 1518 . 1 1 122 122 GLU HB2 H 1 1.911 0.020 . 2 . . . A 133 GLU HB2 . 19354 1 1519 . 1 1 122 122 GLU HB3 H 1 1.911 0.020 . 2 . . . A 133 GLU HB3 . 19354 1 1520 . 1 1 122 122 GLU HG2 H 1 1.924 0.020 . 2 . . . A 133 GLU HG2 . 19354 1 1521 . 1 1 122 122 GLU HG3 H 1 1.924 0.020 . 2 . . . A 133 GLU HG3 . 19354 1 1522 . 1 1 122 122 GLU C C 13 176.447 0.300 . 1 . . . A 133 GLU C . 19354 1 1523 . 1 1 122 122 GLU CA C 13 57.928 0.300 . 1 . . . A 133 GLU CA . 19354 1 1524 . 1 1 122 122 GLU CB C 13 29.822 0.300 . 1 . . . A 133 GLU CB . 19354 1 1525 . 1 1 122 122 GLU CG C 13 36.338 0.300 . 1 . . . A 133 GLU CG . 19354 1 1526 . 1 1 122 122 GLU N N 15 123.435 0.300 . 1 . . . A 133 GLU N . 19354 1 1527 . 1 1 123 123 THR H H 1 8.067 0.020 . 1 . . . A 134 THR H . 19354 1 1528 . 1 1 123 123 THR HA H 1 3.964 0.020 . 1 . . . A 134 THR HA . 19354 1 1529 . 1 1 123 123 THR HB H 1 3.951 0.020 . 1 . . . A 134 THR HB . 19354 1 1530 . 1 1 123 123 THR HG21 H 1 1.012 0.020 . 1 . . . A 134 THR HG21 . 19354 1 1531 . 1 1 123 123 THR HG22 H 1 1.012 0.020 . 1 . . . A 134 THR HG22 . 19354 1 1532 . 1 1 123 123 THR HG23 H 1 1.012 0.020 . 1 . . . A 134 THR HG23 . 19354 1 1533 . 1 1 123 123 THR C C 13 174.853 0.300 . 1 . . . A 134 THR C . 19354 1 1534 . 1 1 123 123 THR CA C 13 63.694 0.300 . 1 . . . A 134 THR CA . 19354 1 1535 . 1 1 123 123 THR CB C 13 68.841 0.300 . 1 . . . A 134 THR CB . 19354 1 1536 . 1 1 123 123 THR CG2 C 13 21.608 0.300 . 1 . . . A 134 THR CG2 . 19354 1 1537 . 1 1 123 123 THR N N 15 113.403 0.300 . 1 . . . A 134 THR N . 19354 1 1538 . 1 1 124 124 LEU H H 1 7.448 0.020 . 1 . . . A 135 LEU H . 19354 1 1539 . 1 1 124 124 LEU HA H 1 3.964 0.020 . 1 . . . A 135 LEU HA . 19354 1 1540 . 1 1 124 124 LEU HB2 H 1 1.079 0.020 . 2 . . . A 135 LEU HB2 . 19354 1 1541 . 1 1 124 124 LEU HB3 H 1 0.643 0.020 . 2 . . . A 135 LEU HB3 . 19354 1 1542 . 1 1 124 124 LEU HG H 1 1.204 0.020 . 1 . . . A 135 LEU HG . 19354 1 1543 . 1 1 124 124 LEU HD11 H 1 0.761 0.020 . 2 . . . A 135 LEU HD11 . 19354 1 1544 . 1 1 124 124 LEU HD12 H 1 0.761 0.020 . 2 . . . A 135 LEU HD12 . 19354 1 1545 . 1 1 124 124 LEU HD13 H 1 0.761 0.020 . 2 . . . A 135 LEU HD13 . 19354 1 1546 . 1 1 124 124 LEU HD21 H 1 0.617 0.020 . 2 . . . A 135 LEU HD21 . 19354 1 1547 . 1 1 124 124 LEU HD22 H 1 0.617 0.020 . 2 . . . A 135 LEU HD22 . 19354 1 1548 . 1 1 124 124 LEU HD23 H 1 0.617 0.020 . 2 . . . A 135 LEU HD23 . 19354 1 1549 . 1 1 124 124 LEU C C 13 176.215 0.300 . 1 . . . A 135 LEU C . 19354 1 1550 . 1 1 124 124 LEU CA C 13 55.656 0.300 . 1 . . . A 135 LEU CA . 19354 1 1551 . 1 1 124 124 LEU CB C 13 42.291 0.300 . 1 . . . A 135 LEU CB . 19354 1 1552 . 1 1 124 124 LEU CG C 13 26.850 0.300 . 1 . . . A 135 LEU CG . 19354 1 1553 . 1 1 124 124 LEU CD1 C 13 24.960 0.300 . 2 . . . A 135 LEU CD1 . 19354 1 1554 . 1 1 124 124 LEU CD2 C 13 23.206 0.300 . 2 . . . A 135 LEU CD2 . 19354 1 1555 . 1 1 124 124 LEU N N 15 121.377 0.300 . 1 . . . A 135 LEU N . 19354 1 1556 . 1 1 125 125 PHE H H 1 7.542 0.020 . 1 . . . A 136 PHE H . 19354 1 1557 . 1 1 125 125 PHE HA H 1 5.202 0.020 . 1 . . . A 136 PHE HA . 19354 1 1558 . 1 1 125 125 PHE HB2 H 1 3.008 0.020 . 2 . . . A 136 PHE HB2 . 19354 1 1559 . 1 1 125 125 PHE HB3 H 1 2.814 0.020 . 2 . . . A 136 PHE HB3 . 19354 1 1560 . 1 1 125 125 PHE HD1 H 1 7.259 0.020 . 3 . . . A 136 PHE HD1 . 19354 1 1561 . 1 1 125 125 PHE HD2 H 1 7.259 0.020 . 3 . . . A 136 PHE HD2 . 19354 1 1562 . 1 1 125 125 PHE HE1 H 1 7.161 0.020 . 3 . . . A 136 PHE HE1 . 19354 1 1563 . 1 1 125 125 PHE HE2 H 1 7.161 0.020 . 3 . . . A 136 PHE HE2 . 19354 1 1564 . 1 1 125 125 PHE C C 13 179.412 0.300 . 1 . . . A 136 PHE C . 19354 1 1565 . 1 1 125 125 PHE CA C 13 53.495 0.300 . 1 . . . A 136 PHE CA . 19354 1 1566 . 1 1 125 125 PHE CB C 13 39.248 0.300 . 1 . . . A 136 PHE CB . 19354 1 1567 . 1 1 125 125 PHE CD2 C 13 132.342 0.300 . 1 . . . A 136 PHE CD2 . 19354 1 1568 . 1 1 125 125 PHE CE2 C 13 130.432 0.300 . 1 . . . A 136 PHE CE2 . 19354 1 1569 . 1 1 125 125 PHE N N 15 117.704 0.300 . 1 . . . A 136 PHE N . 19354 1 1570 . 1 1 126 126 PRO HA H 1 4.528 0.020 . 1 . . . A 137 PRO HA . 19354 1 1571 . 1 1 126 126 PRO HB2 H 1 2.214 0.020 . 2 . . . A 137 PRO HB2 . 19354 1 1572 . 1 1 126 126 PRO HB3 H 1 1.891 0.020 . 2 . . . A 137 PRO HB3 . 19354 1 1573 . 1 1 126 126 PRO HG2 H 1 1.852 0.020 . 2 . . . A 137 PRO HG2 . 19354 1 1574 . 1 1 126 126 PRO HG3 H 1 1.792 0.020 . 2 . . . A 137 PRO HG3 . 19354 1 1575 . 1 1 126 126 PRO HD2 H 1 3.754 0.020 . 2 . . . A 137 PRO HD2 . 19354 1 1576 . 1 1 126 126 PRO HD3 H 1 3.492 0.020 . 2 . . . A 137 PRO HD3 . 19354 1 1577 . 1 1 126 126 PRO CA C 13 62.949 0.300 . 1 . . . A 137 PRO CA . 19354 1 1578 . 1 1 126 126 PRO CB C 13 32.242 0.300 . 1 . . . A 137 PRO CB . 19354 1 1579 . 1 1 126 126 PRO CG C 13 27.435 0.300 . 1 . . . A 137 PRO CG . 19354 1 1580 . 1 1 126 126 PRO CD C 13 50.414 0.300 . 1 . . . A 137 PRO CD . 19354 1 1581 . 1 1 127 127 THR H H 1 8.452 0.020 . 1 . . . A 138 THR H . 19354 1 1582 . 1 1 127 127 THR HA H 1 4.324 0.020 . 1 . . . A 138 THR HA . 19354 1 1583 . 1 1 127 127 THR HB H 1 4.123 0.020 . 1 . . . A 138 THR HB . 19354 1 1584 . 1 1 127 127 THR HG21 H 1 1.076 0.020 . 1 . . . A 138 THR HG21 . 19354 1 1585 . 1 1 127 127 THR HG22 H 1 1.076 0.020 . 1 . . . A 138 THR HG22 . 19354 1 1586 . 1 1 127 127 THR HG23 H 1 1.076 0.020 . 1 . . . A 138 THR HG23 . 19354 1 1587 . 1 1 127 127 THR C C 13 174.175 0.300 . 1 . . . A 138 THR C . 19354 1 1588 . 1 1 127 127 THR CA C 13 61.863 0.300 . 1 . . . A 138 THR CA . 19354 1 1589 . 1 1 127 127 THR CB C 13 69.742 0.300 . 1 . . . A 138 THR CB . 19354 1 1590 . 1 1 127 127 THR CG2 C 13 21.498 0.300 . 1 . . . A 138 THR CG2 . 19354 1 1591 . 1 1 127 127 THR N N 15 114.025 0.300 . 1 . . . A 138 THR N . 19354 1 1592 . 1 1 128 128 LYS H H 1 7.831 0.020 . 1 . . . A 139 LYS H . 19354 1 1593 . 1 1 128 128 LYS HA H 1 4.046 0.020 . 1 . . . A 139 LYS HA . 19354 1 1594 . 1 1 128 128 LYS HB2 H 1 1.692 0.020 . 2 . . . A 139 LYS HB2 . 19354 1 1595 . 1 1 128 128 LYS HB3 H 1 1.605 0.020 . 2 . . . A 139 LYS HB3 . 19354 1 1596 . 1 1 128 128 LYS HG2 H 1 1.248 0.020 . 2 . . . A 139 LYS HG2 . 19354 1 1597 . 1 1 128 128 LYS HG3 H 1 1.248 0.020 . 2 . . . A 139 LYS HG3 . 19354 1 1598 . 1 1 128 128 LYS HD2 H 1 1.417 0.020 . 2 . . . A 139 LYS HD2 . 19354 1 1599 . 1 1 128 128 LYS HD3 H 1 1.417 0.020 . 2 . . . A 139 LYS HD3 . 19354 1 1600 . 1 1 128 128 LYS HE2 H 1 3.185 0.020 . 2 . . . A 139 LYS HE2 . 19354 1 1601 . 1 1 128 128 LYS HE3 H 1 3.185 0.020 . 2 . . . A 139 LYS HE3 . 19354 1 1602 . 1 1 128 128 LYS CA C 13 57.661 0.300 . 1 . . . A 139 LYS CA . 19354 1 1603 . 1 1 128 128 LYS CB C 13 33.467 0.300 . 1 . . . A 139 LYS CB . 19354 1 1604 . 1 1 128 128 LYS CG C 13 24.484 0.300 . 1 . . . A 139 LYS CG . 19354 1 1605 . 1 1 128 128 LYS CD C 13 28.887 0.300 . 1 . . . A 139 LYS CD . 19354 1 1606 . 1 1 128 128 LYS CE C 13 42.239 0.300 . 1 . . . A 139 LYS CE . 19354 1 1607 . 1 1 128 128 LYS N N 15 127.089 0.300 . 1 . . . A 139 LYS N . 19354 1 stop_ save_