data_19379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19379 _Entry.Title ; NMR structures of the alpha7 nAChR transmembrane domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-19 _Entry.Accession_date 2013-07-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Vasyl Bondarenko . . . 19379 2 David Mowrey . . . 19379 3 Yan Xu . . . 19379 4 Pei Tang . . . 19379 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' . 19379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha7 nAChR' . 19379 NMR . 19379 'transmembrane domain' . 19379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 19379 '15N chemical shifts' 128 19379 '1H chemical shifts' 712 19379 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-07-19 update BMRB 'update entry citation' 19379 1 . . 2013-11-11 2013-07-19 original author 'original release' 19379 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19379 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24384062 _Citation.Full_citation . _Citation.Title 'NMR structures of the human 7 nAChR transmembrane domain and associated anesthetic binding sites.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume . _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 . _Citation.Page_last . _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 Vasyl Bondarenko . . . 19379 1 2 David Mowrey . D. . 19379 1 3 Tommy Tillman . S. . 19379 1 4 Edom Seyoum . . . 19379 1 5 Yan Xu . . . 19379 1 6 Pei Tang . . . 19379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19379 _Assembly.ID 1 _Assembly.Name 'alpha7 nAChR transmembrane domain' _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 'alpha7 nAChR transmembrane domain' 1 $entity A . yes native no no . . . 19379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19379 _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 ; SNAEEELYYGLNLLIPCVLI SALALLVFLLPADSGEKISL GITVLLSLTVFMLLVAEIMP STSDSSPSIAQYFASTMIIV GLSVVVTVIVLQYHHHDPDG GEGGGEGIDRLCLMAFSVFT IICTIGILMSAPNFVEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14309.850 _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 2MAW . "Nmr Structures Of The Alpha7 Nachr Transmembrane Domain" . . . . . 100.00 137 100.00 100.00 1.37e-89 . . . . 19379 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 . SER . 19379 1 2 . ASN . 19379 1 3 . ALA . 19379 1 4 . GLU . 19379 1 5 . GLU . 19379 1 6 . GLU . 19379 1 7 . LEU . 19379 1 8 . TYR . 19379 1 9 . TYR . 19379 1 10 . GLY . 19379 1 11 . LEU . 19379 1 12 . ASN . 19379 1 13 . LEU . 19379 1 14 . LEU . 19379 1 15 . ILE . 19379 1 16 . PRO . 19379 1 17 . CYS . 19379 1 18 . VAL . 19379 1 19 . LEU . 19379 1 20 . ILE . 19379 1 21 . SER . 19379 1 22 . ALA . 19379 1 23 . LEU . 19379 1 24 . ALA . 19379 1 25 . LEU . 19379 1 26 . LEU . 19379 1 27 . VAL . 19379 1 28 . PHE . 19379 1 29 . LEU . 19379 1 30 . LEU . 19379 1 31 . PRO . 19379 1 32 . ALA . 19379 1 33 . ASP . 19379 1 34 . SER . 19379 1 35 . GLY . 19379 1 36 . GLU . 19379 1 37 . LYS . 19379 1 38 . ILE . 19379 1 39 . SER . 19379 1 40 . LEU . 19379 1 41 . GLY . 19379 1 42 . ILE . 19379 1 43 . THR . 19379 1 44 . VAL . 19379 1 45 . LEU . 19379 1 46 . LEU . 19379 1 47 . SER . 19379 1 48 . LEU . 19379 1 49 . THR . 19379 1 50 . VAL . 19379 1 51 . PHE . 19379 1 52 . MET . 19379 1 53 . LEU . 19379 1 54 . LEU . 19379 1 55 . VAL . 19379 1 56 . ALA . 19379 1 57 . GLU . 19379 1 58 . ILE . 19379 1 59 . MET . 19379 1 60 . PRO . 19379 1 61 . SER . 19379 1 62 . THR . 19379 1 63 . SER . 19379 1 64 . ASP . 19379 1 65 . SER . 19379 1 66 . SER . 19379 1 67 . PRO . 19379 1 68 . SER . 19379 1 69 . ILE . 19379 1 70 . ALA . 19379 1 71 . GLN . 19379 1 72 . TYR . 19379 1 73 . PHE . 19379 1 74 . ALA . 19379 1 75 . SER . 19379 1 76 . THR . 19379 1 77 . MET . 19379 1 78 . ILE . 19379 1 79 . ILE . 19379 1 80 . VAL . 19379 1 81 . GLY . 19379 1 82 . LEU . 19379 1 83 . SER . 19379 1 84 . VAL . 19379 1 85 . VAL . 19379 1 86 . VAL . 19379 1 87 . THR . 19379 1 88 . VAL . 19379 1 89 . ILE . 19379 1 90 . VAL . 19379 1 91 . LEU . 19379 1 92 . GLN . 19379 1 93 . TYR . 19379 1 94 . HIS . 19379 1 95 . HIS . 19379 1 96 . HIS . 19379 1 97 . ASP . 19379 1 98 . PRO . 19379 1 99 . ASP . 19379 1 100 . GLY . 19379 1 101 . GLY . 19379 1 102 . GLU . 19379 1 103 . GLY . 19379 1 104 . GLY . 19379 1 105 . GLY . 19379 1 106 . GLU . 19379 1 107 . GLY . 19379 1 108 . ILE . 19379 1 109 . ASP . 19379 1 110 . ARG . 19379 1 111 . LEU . 19379 1 112 . CYS . 19379 1 113 . LEU . 19379 1 114 . MET . 19379 1 115 . ALA . 19379 1 116 . PHE . 19379 1 117 . SER . 19379 1 118 . VAL . 19379 1 119 . PHE . 19379 1 120 . THR . 19379 1 121 . ILE . 19379 1 122 . ILE . 19379 1 123 . CYS . 19379 1 124 . THR . 19379 1 125 . ILE . 19379 1 126 . GLY . 19379 1 127 . ILE . 19379 1 128 . LEU . 19379 1 129 . MET . 19379 1 130 . SER . 19379 1 131 . ALA . 19379 1 132 . PRO . 19379 1 133 . ASN . 19379 1 134 . PHE . 19379 1 135 . VAL . 19379 1 136 . GLU . 19379 1 137 . GLU . 19379 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 19379 1 . ASN 2 2 19379 1 . ALA 3 3 19379 1 . GLU 4 4 19379 1 . GLU 5 5 19379 1 . GLU 6 6 19379 1 . LEU 7 7 19379 1 . TYR 8 8 19379 1 . TYR 9 9 19379 1 . GLY 10 10 19379 1 . LEU 11 11 19379 1 . ASN 12 12 19379 1 . LEU 13 13 19379 1 . LEU 14 14 19379 1 . ILE 15 15 19379 1 . PRO 16 16 19379 1 . CYS 17 17 19379 1 . VAL 18 18 19379 1 . LEU 19 19 19379 1 . ILE 20 20 19379 1 . SER 21 21 19379 1 . ALA 22 22 19379 1 . LEU 23 23 19379 1 . ALA 24 24 19379 1 . LEU 25 25 19379 1 . LEU 26 26 19379 1 . VAL 27 27 19379 1 . PHE 28 28 19379 1 . LEU 29 29 19379 1 . LEU 30 30 19379 1 . PRO 31 31 19379 1 . ALA 32 32 19379 1 . ASP 33 33 19379 1 . SER 34 34 19379 1 . GLY 35 35 19379 1 . GLU 36 36 19379 1 . LYS 37 37 19379 1 . ILE 38 38 19379 1 . SER 39 39 19379 1 . LEU 40 40 19379 1 . GLY 41 41 19379 1 . ILE 42 42 19379 1 . THR 43 43 19379 1 . VAL 44 44 19379 1 . LEU 45 45 19379 1 . LEU 46 46 19379 1 . SER 47 47 19379 1 . LEU 48 48 19379 1 . THR 49 49 19379 1 . VAL 50 50 19379 1 . PHE 51 51 19379 1 . MET 52 52 19379 1 . LEU 53 53 19379 1 . LEU 54 54 19379 1 . VAL 55 55 19379 1 . ALA 56 56 19379 1 . GLU 57 57 19379 1 . ILE 58 58 19379 1 . MET 59 59 19379 1 . PRO 60 60 19379 1 . SER 61 61 19379 1 . THR 62 62 19379 1 . SER 63 63 19379 1 . ASP 64 64 19379 1 . SER 65 65 19379 1 . SER 66 66 19379 1 . PRO 67 67 19379 1 . SER 68 68 19379 1 . ILE 69 69 19379 1 . ALA 70 70 19379 1 . GLN 71 71 19379 1 . TYR 72 72 19379 1 . PHE 73 73 19379 1 . ALA 74 74 19379 1 . SER 75 75 19379 1 . THR 76 76 19379 1 . MET 77 77 19379 1 . ILE 78 78 19379 1 . ILE 79 79 19379 1 . VAL 80 80 19379 1 . GLY 81 81 19379 1 . LEU 82 82 19379 1 . SER 83 83 19379 1 . VAL 84 84 19379 1 . VAL 85 85 19379 1 . VAL 86 86 19379 1 . THR 87 87 19379 1 . VAL 88 88 19379 1 . ILE 89 89 19379 1 . VAL 90 90 19379 1 . LEU 91 91 19379 1 . GLN 92 92 19379 1 . TYR 93 93 19379 1 . HIS 94 94 19379 1 . HIS 95 95 19379 1 . HIS 96 96 19379 1 . ASP 97 97 19379 1 . PRO 98 98 19379 1 . ASP 99 99 19379 1 . GLY 100 100 19379 1 . GLY 101 101 19379 1 . GLU 102 102 19379 1 . GLY 103 103 19379 1 . GLY 104 104 19379 1 . GLY 105 105 19379 1 . GLU 106 106 19379 1 . GLY 107 107 19379 1 . ILE 108 108 19379 1 . ASP 109 109 19379 1 . ARG 110 110 19379 1 . LEU 111 111 19379 1 . CYS 112 112 19379 1 . LEU 113 113 19379 1 . MET 114 114 19379 1 . ALA 115 115 19379 1 . PHE 116 116 19379 1 . SER 117 117 19379 1 . VAL 118 118 19379 1 . PHE 119 119 19379 1 . THR 120 120 19379 1 . ILE 121 121 19379 1 . ILE 122 122 19379 1 . CYS 123 123 19379 1 . THR 124 124 19379 1 . ILE 125 125 19379 1 . GLY 126 126 19379 1 . ILE 127 127 19379 1 . LEU 128 128 19379 1 . MET 129 129 19379 1 . SER 130 130 19379 1 . ALA 131 131 19379 1 . PRO 132 132 19379 1 . ASN 133 133 19379 1 . PHE 134 134 19379 1 . VAL 135 135 19379 1 . GLU 136 136 19379 1 . GLU 137 137 19379 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 19379 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19379 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 19379 _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 . . . . . . . . . . . . . . . . pTBSG . . . . . . 19379 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19379 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7 nAChR transmembrane domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.25 . . mM . . . . 19379 1 2 NaCl 'natural abundacne' . . . . . . 10 . . mM . . . . 19379 1 3 'sodium acetate buffer' 'natural abundacne' . . . . . . 5 . . mM . . . . 19379 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 19379 _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' 0.01 . M 19379 1 pH 4.7 . pH 19379 1 pressure 1 . atm 19379 1 temperature 318 . K 19379 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19379 _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' . . 19379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19379 1 'structure solution' 19379 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19379 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19379 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19379 2 'data analysis' 19379 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19379 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19379 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19379 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19379 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19379 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19379 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR600 _NMR_spectrometer.Entry_ID 19379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR800 _NMR_spectrometer.Entry_ID 19379 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19379 _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 NMR600 Bruker Avance . 600 . . . 19379 1 2 NMR800 Bruker Avance . 800 . . . 19379 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 19379 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19379 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19379 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 19379 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 19379 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 19379 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 19379 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 19379 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19379 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19379 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19379 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19379 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 19379 _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' . . . 19379 1 2 '2D 1H-13C HSQC' . . . 19379 1 3 '3D HNCO' . . . 19379 1 4 '3D HNCA' . . . 19379 1 5 '3D HN(CO)CA' . . . 19379 1 6 '3D 1H-15N NOESY' . . . 19379 1 7 '3D 1H-13C NOESY' . . . 19379 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.739 0.019 . . . . . . 2 ASN HA . 19379 1 2 . 1 1 2 2 ASN HB2 H 1 2.859 0.036 . . . . . . 2 ASN HB2 . 19379 1 3 . 1 1 2 2 ASN HD21 H 1 7.586 0.014 . . . . . . 2 ASN HD21 . 19379 1 4 . 1 1 2 2 ASN HD22 H 1 6.903 0.013 . . . . . . 2 ASN HD22 . 19379 1 5 . 1 1 2 2 ASN C C 13 175.435 0.010 . . . . . . 2 ASN C . 19379 1 6 . 1 1 2 2 ASN CA C 13 53.861 0.043 . . . . . . 2 ASN CA . 19379 1 7 . 1 1 2 2 ASN CB C 13 39.070 0.010 . . . . . . 2 ASN CB . 19379 1 8 . 1 1 2 2 ASN ND2 N 15 112.708 0.014 . . . . . . 2 ASN ND2 . 19379 1 9 . 1 1 3 3 ALA H H 1 8.506 0.016 . . . . . . 3 ALA H . 19379 1 10 . 1 1 3 3 ALA HA H 1 4.165 0.012 . . . . . . 3 ALA HA . 19379 1 11 . 1 1 3 3 ALA HB1 H 1 1.393 0.015 . . . . . . 3 ALA QB . 19379 1 12 . 1 1 3 3 ALA HB2 H 1 1.393 0.015 . . . . . . 3 ALA QB . 19379 1 13 . 1 1 3 3 ALA HB3 H 1 1.393 0.015 . . . . . . 3 ALA QB . 19379 1 14 . 1 1 3 3 ALA C C 13 178.939 0.010 . . . . . . 3 ALA C . 19379 1 15 . 1 1 3 3 ALA CA C 13 54.739 0.030 . . . . . . 3 ALA CA . 19379 1 16 . 1 1 3 3 ALA CB C 13 18.845 0.093 . . . . . . 3 ALA CB . 19379 1 17 . 1 1 3 3 ALA N N 15 123.904 0.056 . . . . . . 3 ALA N . 19379 1 18 . 1 1 4 4 GLU H H 1 8.232 0.016 . . . . . A 4 GLU H . 19379 1 19 . 1 1 4 4 GLU HA H 1 4.041 0.010 . . . . . A 4 GLU HA . 19379 1 20 . 1 1 4 4 GLU HB2 H 1 2.066 0.017 . . . . . A 4 GLU HB2 . 19379 1 21 . 1 1 4 4 GLU HG2 H 1 2.268 0.011 . . . . . A 4 GLU HG2 . 19379 1 22 . 1 1 4 4 GLU C C 13 177.691 0.010 . . . . . A 4 GLU C . 19379 1 23 . 1 1 4 4 GLU CA C 13 59.312 0.019 . . . . . A 4 GLU CA . 19379 1 24 . 1 1 4 4 GLU CB C 13 29.905 0.010 . . . . . A 4 GLU CB . 19379 1 25 . 1 1 4 4 GLU CG C 13 36.009 0.010 . . . . . A 4 GLU CG . 19379 1 26 . 1 1 4 4 GLU N N 15 117.547 0.098 . . . . . A 4 GLU N . 19379 1 27 . 1 1 5 5 GLU H H 1 7.978 0.014 . . . . . A 5 GLU H . 19379 1 28 . 1 1 5 5 GLU HA H 1 4.023 0.018 . . . . . A 5 GLU HA . 19379 1 29 . 1 1 5 5 GLU HB2 H 1 2.083 0.010 . . . . . A 5 GLU HB2 . 19379 1 30 . 1 1 5 5 GLU HG2 H 1 2.399 0.013 . . . . . A 5 GLU HG2 . 19379 1 31 . 1 1 5 5 GLU C C 13 178.676 0.010 . . . . . A 5 GLU C . 19379 1 32 . 1 1 5 5 GLU CA C 13 59.308 0.046 . . . . . A 5 GLU CA . 19379 1 33 . 1 1 5 5 GLU CB C 13 29.905 0.010 . . . . . A 5 GLU CB . 19379 1 34 . 1 1 5 5 GLU CG C 13 36.551 0.010 . . . . . A 5 GLU CG . 19379 1 35 . 1 1 5 5 GLU N N 15 119.031 0.099 . . . . . A 5 GLU N . 19379 1 36 . 1 1 6 6 GLU H H 1 8.159 0.014 . . . . . A 6 GLU H . 19379 1 37 . 1 1 6 6 GLU HA H 1 4.033 0.018 . . . . . A 6 GLU HA . 19379 1 38 . 1 1 6 6 GLU HB2 H 1 2.110 0.013 . . . . . A 6 GLU HB2 . 19379 1 39 . 1 1 6 6 GLU HG2 H 1 2.399 0.014 . . . . . A 6 GLU HG2 . 19379 1 40 . 1 1 6 6 GLU C C 13 178.335 0.010 . . . . . A 6 GLU C . 19379 1 41 . 1 1 6 6 GLU CA C 13 59.526 0.112 . . . . . A 6 GLU CA . 19379 1 42 . 1 1 6 6 GLU CB C 13 29.739 0.010 . . . . . A 6 GLU CB . 19379 1 43 . 1 1 6 6 GLU CG C 13 36.551 0.010 . . . . . A 6 GLU CG . 19379 1 44 . 1 1 6 6 GLU N N 15 118.528 0.076 . . . . . A 6 GLU N . 19379 1 45 . 1 1 7 7 LEU H H 1 7.859 0.015 . . . . . A 7 LEU H . 19379 1 46 . 1 1 7 7 LEU HA H 1 4.019 0.012 . . . . . A 7 LEU HA . 19379 1 47 . 1 1 7 7 LEU HB2 H 1 1.654 0.015 . . . . . A 7 LEU HB2 . 19379 1 48 . 1 1 7 7 LEU HD11 H 1 0.890 0.019 . . . . . A 7 LEU HD11 . 19379 1 49 . 1 1 7 7 LEU HD12 H 1 0.890 0.019 . . . . . A 7 LEU HD12 . 19379 1 50 . 1 1 7 7 LEU HD13 H 1 0.890 0.019 . . . . . A 7 LEU HD13 . 19379 1 51 . 1 1 7 7 LEU C C 13 178.172 0.010 . . . . . A 7 LEU C . 19379 1 52 . 1 1 7 7 LEU CA C 13 58.024 0.018 . . . . . A 7 LEU CA . 19379 1 53 . 1 1 7 7 LEU CB C 13 41.907 0.010 . . . . . A 7 LEU CB . 19379 1 54 . 1 1 7 7 LEU CD1 C 13 25.104 0.049 . . . . . A 7 LEU CD1 . 19379 1 55 . 1 1 7 7 LEU N N 15 119.046 0.092 . . . . . A 7 LEU N . 19379 1 56 . 1 1 8 8 TYR H H 1 7.983 0.015 . . . . . A 8 TYR H . 19379 1 57 . 1 1 8 8 TYR HA H 1 4.097 0.010 . . . . . A 8 TYR HA . 19379 1 58 . 1 1 8 8 TYR HB2 H 1 3.035 0.010 . . . . . A 8 TYR HB2 . 19379 1 59 . 1 1 8 8 TYR HD1 H 1 6.880 0.014 . . . . . A 8 TYR HD1 . 19379 1 60 . 1 1 8 8 TYR HE1 H 1 6.667 0.015 . . . . . A 8 TYR HE1 . 19379 1 61 . 1 1 8 8 TYR C C 13 177.996 0.010 . . . . . A 8 TYR C . 19379 1 62 . 1 1 8 8 TYR CA C 13 60.965 0.031 . . . . . A 8 TYR CA . 19379 1 63 . 1 1 8 8 TYR CB C 13 38.223 0.010 . . . . . A 8 TYR CB . 19379 1 64 . 1 1 8 8 TYR CD1 C 13 132.814 0.087 . . . . . A 8 TYR CD1 . 19379 1 65 . 1 1 8 8 TYR CE1 C 13 118.107 0.042 . . . . . A 8 TYR CE1 . 19379 1 66 . 1 1 8 8 TYR N N 15 117.575 0.100 . . . . . A 8 TYR N . 19379 1 67 . 1 1 9 9 TYR H H 1 8.262 0.017 . . . . . A 9 TYR H . 19379 1 68 . 1 1 9 9 TYR HA H 1 4.131 0.018 . . . . . A 9 TYR HA . 19379 1 69 . 1 1 9 9 TYR HB2 H 1 3.079 0.017 . . . . . A 9 TYR HB2 . 19379 1 70 . 1 1 9 9 TYR HD2 H 1 7.108 0.026 . . . . . A 9 TYR HD2 . 19379 1 71 . 1 1 9 9 TYR HE2 H 1 6.675 0.016 . . . . . A 9 TYR HE2 . 19379 1 72 . 1 1 9 9 TYR C C 13 178.111 0.010 . . . . . A 9 TYR C . 19379 1 73 . 1 1 9 9 TYR CA C 13 61.429 0.041 . . . . . A 9 TYR CA . 19379 1 74 . 1 1 9 9 TYR CB C 13 38.322 0.010 . . . . . A 9 TYR CB . 19379 1 75 . 1 1 9 9 TYR CD2 C 13 133.228 0.247 . . . . . A 9 TYR CD2 . 19379 1 76 . 1 1 9 9 TYR CE2 C 13 117.920 0.251 . . . . . A 9 TYR CE2 . 19379 1 77 . 1 1 9 9 TYR N N 15 119.102 0.116 . . . . . A 9 TYR N . 19379 1 78 . 1 1 10 10 GLY H H 1 8.395 0.010 . . . . . A 10 GLY H . 19379 1 79 . 1 1 10 10 GLY HA2 H 1 3.735 0.016 . . . . . A 10 GLY HA2 . 19379 1 80 . 1 1 10 10 GLY C C 13 175.281 0.010 . . . . . A 10 GLY C . 19379 1 81 . 1 1 10 10 GLY CA C 13 47.308 0.160 . . . . . A 10 GLY CA . 19379 1 82 . 1 1 10 10 GLY N N 15 105.758 0.125 . . . . . A 10 GLY N . 19379 1 83 . 1 1 11 11 LEU H H 1 8.496 0.016 . . . . . A 11 LEU H . 19379 1 84 . 1 1 11 11 LEU HA H 1 4.029 0.010 . . . . . A 11 LEU HA . 19379 1 85 . 1 1 11 11 LEU HB2 H 1 1.909 0.011 . . . . . A 11 LEU HB2 . 19379 1 86 . 1 1 11 11 LEU HD11 H 1 0.844 0.019 . . . . . A 11 LEU HD11 . 19379 1 87 . 1 1 11 11 LEU HD12 H 1 0.844 0.019 . . . . . A 11 LEU HD12 . 19379 1 88 . 1 1 11 11 LEU HD13 H 1 0.844 0.019 . . . . . A 11 LEU HD13 . 19379 1 89 . 1 1 11 11 LEU C C 13 177.943 0.010 . . . . . A 11 LEU C . 19379 1 90 . 1 1 11 11 LEU CA C 13 58.259 0.043 . . . . . A 11 LEU CA . 19379 1 91 . 1 1 11 11 LEU CB C 13 41.896 0.010 . . . . . A 11 LEU CB . 19379 1 92 . 1 1 11 11 LEU CD1 C 13 24.989 0.030 . . . . . A 11 LEU CD1 . 19379 1 93 . 1 1 11 11 LEU N N 15 121.046 0.126 . . . . . A 11 LEU N . 19379 1 94 . 1 1 12 12 ASN H H 1 7.867 0.017 . . . . . A 12 ASN H . 19379 1 95 . 1 1 12 12 ASN HA H 1 4.351 0.016 . . . . . A 12 ASN HA . 19379 1 96 . 1 1 12 12 ASN HB2 H 1 2.675 0.018 . . . . . A 12 ASN HB2 . 19379 1 97 . 1 1 12 12 ASN HB3 H 1 2.739 0.010 . . . . . A 12 ASN HB3 . 19379 1 98 . 1 1 12 12 ASN HD21 H 1 6.787 0.017 . . . . . A 12 ASN HD21 . 19379 1 99 . 1 1 12 12 ASN HD22 H 1 7.503 0.022 . . . . . A 12 ASN HD22 . 19379 1 100 . 1 1 12 12 ASN C C 13 175.617 0.010 . . . . . A 12 ASN C . 19379 1 101 . 1 1 12 12 ASN CA C 13 56.044 0.022 . . . . . A 12 ASN CA . 19379 1 102 . 1 1 12 12 ASN CB C 13 39.643 0.010 . . . . . A 12 ASN CB . 19379 1 103 . 1 1 12 12 ASN N N 15 115.257 0.101 . . . . . A 12 ASN N . 19379 1 104 . 1 1 12 12 ASN ND2 N 15 112.194 0.014 . . . . . A 12 ASN ND2 . 19379 1 105 . 1 1 13 13 LEU H H 1 7.405 0.018 . . . . . A 13 LEU H . 19379 1 106 . 1 1 13 13 LEU HA H 1 4.381 0.016 . . . . . A 13 LEU HA . 19379 1 107 . 1 1 13 13 LEU HB2 H 1 1.646 0.017 . . . . . A 13 LEU HB2 . 19379 1 108 . 1 1 13 13 LEU HD11 H 1 0.766 0.018 . . . . . A 13 LEU HD11 . 19379 1 109 . 1 1 13 13 LEU HD12 H 1 0.766 0.018 . . . . . A 13 LEU HD12 . 19379 1 110 . 1 1 13 13 LEU HD13 H 1 0.766 0.018 . . . . . A 13 LEU HD13 . 19379 1 111 . 1 1 13 13 LEU HD21 H 1 0.849 0.012 . . . . . A 13 LEU HD21 . 19379 1 112 . 1 1 13 13 LEU HD22 H 1 0.849 0.012 . . . . . A 13 LEU HD22 . 19379 1 113 . 1 1 13 13 LEU HD23 H 1 0.849 0.012 . . . . . A 13 LEU HD23 . 19379 1 114 . 1 1 13 13 LEU C C 13 177.603 0.010 . . . . . A 13 LEU C . 19379 1 115 . 1 1 13 13 LEU CA C 13 56.297 0.106 . . . . . A 13 LEU CA . 19379 1 116 . 1 1 13 13 LEU CB C 13 42.221 0.010 . . . . . A 13 LEU CB . 19379 1 117 . 1 1 13 13 LEU CD1 C 13 24.021 0.147 . . . . . A 13 LEU CD1 . 19379 1 118 . 1 1 13 13 LEU CD2 C 13 25.149 0.111 . . . . . A 13 LEU CD2 . 19379 1 119 . 1 1 13 13 LEU N N 15 115.485 0.144 . . . . . A 13 LEU N . 19379 1 120 . 1 1 14 14 LEU H H 1 8.152 0.011 . . . . . A 14 LEU H . 19379 1 121 . 1 1 14 14 LEU HA H 1 4.229 0.012 . . . . . A 14 LEU HA . 19379 1 122 . 1 1 14 14 LEU HB2 H 1 1.554 0.017 . . . . . A 14 LEU HB2 . 19379 1 123 . 1 1 14 14 LEU HD11 H 1 0.781 0.017 . . . . . A 14 LEU HD11 . 19379 1 124 . 1 1 14 14 LEU HD12 H 1 0.781 0.017 . . . . . A 14 LEU HD12 . 19379 1 125 . 1 1 14 14 LEU HD13 H 1 0.781 0.017 . . . . . A 14 LEU HD13 . 19379 1 126 . 1 1 14 14 LEU CA C 13 56.314 0.091 . . . . . A 14 LEU CA . 19379 1 127 . 1 1 14 14 LEU CB C 13 42.156 0.010 . . . . . A 14 LEU CB . 19379 1 128 . 1 1 14 14 LEU CD1 C 13 25.101 0.063 . . . . . A 14 LEU CD1 . 19379 1 129 . 1 1 14 14 LEU N N 15 121.588 0.063 . . . . . A 14 LEU N . 19379 1 130 . 1 1 15 15 ILE H H 1 8.053 0.011 . . . . . A 15 ILE H . 19379 1 131 . 1 1 15 15 ILE HA H 1 3.505 0.013 . . . . . A 15 ILE HA . 19379 1 132 . 1 1 15 15 ILE HB H 1 1.813 0.011 . . . . . A 15 ILE HB . 19379 1 133 . 1 1 15 15 ILE HG13 H 1 1.210 0.012 . . . . . A 15 ILE HG13 . 19379 1 134 . 1 1 15 15 ILE HG21 H 1 0.860 0.019 . . . . . A 15 ILE HG21 . 19379 1 135 . 1 1 15 15 ILE HG22 H 1 0.860 0.019 . . . . . A 15 ILE HG22 . 19379 1 136 . 1 1 15 15 ILE HG23 H 1 0.860 0.019 . . . . . A 15 ILE HG23 . 19379 1 137 . 1 1 15 15 ILE HD11 H 1 0.804 0.013 . . . . . A 15 ILE HD11 . 19379 1 138 . 1 1 15 15 ILE HD12 H 1 0.804 0.013 . . . . . A 15 ILE HD12 . 19379 1 139 . 1 1 15 15 ILE HD13 H 1 0.804 0.013 . . . . . A 15 ILE HD13 . 19379 1 140 . 1 1 15 15 ILE CA C 13 65.938 0.023 . . . . . A 15 ILE CA . 19379 1 141 . 1 1 15 15 ILE CB C 13 37.441 0.010 . . . . . A 15 ILE CB . 19379 1 142 . 1 1 15 15 ILE CG1 C 13 28.214 0.010 . . . . . A 15 ILE CG1 . 19379 1 143 . 1 1 15 15 ILE CG2 C 13 17.734 0.015 . . . . . A 15 ILE CG2 . 19379 1 144 . 1 1 15 15 ILE CD1 C 13 13.263 0.144 . . . . . A 15 ILE CD1 . 19379 1 145 . 1 1 15 15 ILE N N 15 124.062 0.128 . . . . . A 15 ILE N . 19379 1 146 . 1 1 16 16 PRO HA H 1 4.110 0.010 . . . . . A 16 PRO HA . 19379 1 147 . 1 1 16 16 PRO HB3 H 1 1.817 0.018 . . . . . A 16 PRO HB3 . 19379 1 148 . 1 1 16 16 PRO HD2 H 1 3.496 0.012 . . . . . A 16 PRO HD2 . 19379 1 149 . 1 1 16 16 PRO C C 13 177.481 0.010 . . . . . A 16 PRO C . 19379 1 150 . 1 1 16 16 PRO CA C 13 66.636 0.038 . . . . . A 16 PRO CA . 19379 1 151 . 1 1 16 16 PRO CB C 13 31.007 0.010 . . . . . A 16 PRO CB . 19379 1 152 . 1 1 16 16 PRO CD C 13 50.352 0.010 . . . . . A 16 PRO CD . 19379 1 153 . 1 1 17 17 CYS H H 1 7.212 0.010 . . . . . A 17 CYS H . 19379 1 154 . 1 1 17 17 CYS HA H 1 3.931 0.013 . . . . . A 17 CYS HA . 19379 1 155 . 1 1 17 17 CYS HB2 H 1 3.165 0.018 . . . . . A 17 CYS HB2 . 19379 1 156 . 1 1 17 17 CYS HB3 H 1 2.663 0.016 . . . . . A 17 CYS HB3 . 19379 1 157 . 1 1 17 17 CYS C C 13 177.471 0.010 . . . . . A 17 CYS C . 19379 1 158 . 1 1 17 17 CYS CA C 13 64.467 0.092 . . . . . A 17 CYS CA . 19379 1 159 . 1 1 17 17 CYS CB C 13 26.898 0.053 . . . . . A 17 CYS CB . 19379 1 160 . 1 1 17 17 CYS N N 15 113.246 0.115 . . . . . A 17 CYS N . 19379 1 161 . 1 1 18 18 VAL H H 1 8.430 0.012 . . . . . A 18 VAL H . 19379 1 162 . 1 1 18 18 VAL HA H 1 3.549 0.013 . . . . . A 18 VAL HA . 19379 1 163 . 1 1 18 18 VAL HB H 1 2.224 0.015 . . . . . A 18 VAL HB . 19379 1 164 . 1 1 18 18 VAL HG11 H 1 1.047 0.019 . . . . . A 18 VAL HG11 . 19379 1 165 . 1 1 18 18 VAL HG12 H 1 1.047 0.019 . . . . . A 18 VAL HG12 . 19379 1 166 . 1 1 18 18 VAL HG13 H 1 1.047 0.019 . . . . . A 18 VAL HG13 . 19379 1 167 . 1 1 18 18 VAL HG21 H 1 0.923 0.024 . . . . . A 18 VAL HG21 . 19379 1 168 . 1 1 18 18 VAL HG22 H 1 0.923 0.024 . . . . . A 18 VAL HG22 . 19379 1 169 . 1 1 18 18 VAL HG23 H 1 0.923 0.024 . . . . . A 18 VAL HG23 . 19379 1 170 . 1 1 18 18 VAL CA C 13 66.975 0.018 . . . . . A 18 VAL CA . 19379 1 171 . 1 1 18 18 VAL CB C 13 31.769 0.010 . . . . . A 18 VAL CB . 19379 1 172 . 1 1 18 18 VAL CG1 C 13 23.516 0.049 . . . . . A 18 VAL CG1 . 19379 1 173 . 1 1 18 18 VAL CG2 C 13 21.639 0.013 . . . . . A 18 VAL CG2 . 19379 1 174 . 1 1 18 18 VAL N N 15 121.584 0.170 . . . . . A 18 VAL N . 19379 1 175 . 1 1 19 19 LEU H H 1 8.236 0.019 . . . . . A 19 LEU H . 19379 1 176 . 1 1 19 19 LEU HA H 1 3.958 0.019 . . . . . A 19 LEU HA . 19379 1 177 . 1 1 19 19 LEU HB2 H 1 1.679 0.017 . . . . . A 19 LEU HB2 . 19379 1 178 . 1 1 19 19 LEU HD11 H 1 0.835 0.010 . . . . . A 19 LEU HD11 . 19379 1 179 . 1 1 19 19 LEU HD12 H 1 0.835 0.010 . . . . . A 19 LEU HD12 . 19379 1 180 . 1 1 19 19 LEU HD13 H 1 0.835 0.010 . . . . . A 19 LEU HD13 . 19379 1 181 . 1 1 19 19 LEU C C 13 178.109 0.010 . . . . . A 19 LEU C . 19379 1 182 . 1 1 19 19 LEU CA C 13 58.271 0.035 . . . . . A 19 LEU CA . 19379 1 183 . 1 1 19 19 LEU CB C 13 41.971 0.010 . . . . . A 19 LEU CB . 19379 1 184 . 1 1 19 19 LEU CD1 C 13 25.123 0.084 . . . . . A 19 LEU CD1 . 19379 1 185 . 1 1 19 19 LEU N N 15 121.697 0.099 . . . . . A 19 LEU N . 19379 1 186 . 1 1 20 20 ILE H H 1 8.316 0.017 . . . . . A 20 ILE H . 19379 1 187 . 1 1 20 20 ILE HA H 1 3.617 0.018 . . . . . A 20 ILE HA . 19379 1 188 . 1 1 20 20 ILE HB H 1 1.795 0.019 . . . . . A 20 ILE HB . 19379 1 189 . 1 1 20 20 ILE HG21 H 1 0.796 0.018 . . . . . A 20 ILE HG21 . 19379 1 190 . 1 1 20 20 ILE HG22 H 1 0.796 0.018 . . . . . A 20 ILE HG22 . 19379 1 191 . 1 1 20 20 ILE HG23 H 1 0.796 0.018 . . . . . A 20 ILE HG23 . 19379 1 192 . 1 1 20 20 ILE HD11 H 1 0.761 0.014 . . . . . A 20 ILE HD11 . 19379 1 193 . 1 1 20 20 ILE HD12 H 1 0.761 0.014 . . . . . A 20 ILE HD12 . 19379 1 194 . 1 1 20 20 ILE HD13 H 1 0.761 0.014 . . . . . A 20 ILE HD13 . 19379 1 195 . 1 1 20 20 ILE C C 13 176.990 0.010 . . . . . A 20 ILE C . 19379 1 196 . 1 1 20 20 ILE CA C 13 65.162 0.043 . . . . . A 20 ILE CA . 19379 1 197 . 1 1 20 20 ILE CB C 13 37.441 0.010 . . . . . A 20 ILE CB . 19379 1 198 . 1 1 20 20 ILE CG2 C 13 17.544 0.145 . . . . . A 20 ILE CG2 . 19379 1 199 . 1 1 20 20 ILE CD1 C 13 13.476 0.132 . . . . . A 20 ILE CD1 . 19379 1 200 . 1 1 20 20 ILE N N 15 116.592 0.144 . . . . . A 20 ILE N . 19379 1 201 . 1 1 21 21 SER H H 1 7.764 0.010 . . . . . A 21 SER H . 19379 1 202 . 1 1 21 21 SER HA H 1 4.054 0.010 . . . . . A 21 SER HA . 19379 1 203 . 1 1 21 21 SER C C 13 176.114 0.010 . . . . . A 21 SER C . 19379 1 204 . 1 1 21 21 SER CA C 13 63.600 0.035 . . . . . A 21 SER CA . 19379 1 205 . 1 1 21 21 SER N N 15 115.835 0.066 . . . . . A 21 SER N . 19379 1 206 . 1 1 22 22 ALA H H 1 8.242 0.013 . . . . . A 22 ALA H . 19379 1 207 . 1 1 22 22 ALA HA H 1 3.957 0.017 . . . . . A 22 ALA HA . 19379 1 208 . 1 1 22 22 ALA HB1 H 1 1.417 0.016 . . . . . A 22 ALA HB1 . 19379 1 209 . 1 1 22 22 ALA HB2 H 1 1.417 0.016 . . . . . A 22 ALA HB2 . 19379 1 210 . 1 1 22 22 ALA HB3 H 1 1.417 0.016 . . . . . A 22 ALA HB3 . 19379 1 211 . 1 1 22 22 ALA CA C 13 56.071 0.065 . . . . . A 22 ALA CA . 19379 1 212 . 1 1 22 22 ALA CB C 13 18.245 0.084 . . . . . A 22 ALA CB . 19379 1 213 . 1 1 22 22 ALA N N 15 122.587 0.058 . . . . . A 22 ALA N . 19379 1 214 . 1 1 23 23 LEU HA H 1 3.934 0.016 . . . . . A 23 LEU HA . 19379 1 215 . 1 1 23 23 LEU CA C 13 58.245 0.024 . . . . . A 23 LEU CA . 19379 1 216 . 1 1 24 24 ALA H H 1 8.324 0.018 . . . . . A 24 ALA H . 19379 1 217 . 1 1 24 24 ALA HA H 1 3.945 0.022 . . . . . A 24 ALA HA . 19379 1 218 . 1 1 24 24 ALA HB1 H 1 1.451 0.011 . . . . . A 24 ALA HB1 . 19379 1 219 . 1 1 24 24 ALA HB2 H 1 1.451 0.011 . . . . . A 24 ALA HB2 . 19379 1 220 . 1 1 24 24 ALA HB3 H 1 1.451 0.011 . . . . . A 24 ALA HB3 . 19379 1 221 . 1 1 24 24 ALA C C 13 178.759 0.010 . . . . . A 24 ALA C . 19379 1 222 . 1 1 24 24 ALA CA C 13 55.452 0.078 . . . . . A 24 ALA CA . 19379 1 223 . 1 1 24 24 ALA CB C 13 18.309 0.133 . . . . . A 24 ALA CB . 19379 1 224 . 1 1 24 24 ALA N N 15 119.601 0.109 . . . . . A 24 ALA N . 19379 1 225 . 1 1 25 25 LEU H H 1 8.063 0.010 . . . . . A 25 LEU H . 19379 1 226 . 1 1 25 25 LEU HA H 1 3.955 0.012 . . . . . A 25 LEU HA . 19379 1 227 . 1 1 25 25 LEU HB2 H 1 1.777 0.013 . . . . . A 25 LEU HB2 . 19379 1 228 . 1 1 25 25 LEU HD11 H 1 0.823 0.017 . . . . . A 25 LEU HD11 . 19379 1 229 . 1 1 25 25 LEU HD12 H 1 0.823 0.017 . . . . . A 25 LEU HD12 . 19379 1 230 . 1 1 25 25 LEU HD13 H 1 0.823 0.017 . . . . . A 25 LEU HD13 . 19379 1 231 . 1 1 25 25 LEU C C 13 178.370 0.010 . . . . . A 25 LEU C . 19379 1 232 . 1 1 25 25 LEU CA C 13 58.173 0.059 . . . . . A 25 LEU CA . 19379 1 233 . 1 1 25 25 LEU CB C 13 41.952 0.010 . . . . . A 25 LEU CB . 19379 1 234 . 1 1 25 25 LEU CD1 C 13 25.299 0.265 . . . . . A 25 LEU CD1 . 19379 1 235 . 1 1 25 25 LEU N N 15 116.470 0.144 . . . . . A 25 LEU N . 19379 1 236 . 1 1 26 26 LEU H H 1 8.096 0.015 . . . . . A 26 LEU H . 19379 1 237 . 1 1 26 26 LEU HA H 1 4.048 0.011 . . . . . A 26 LEU HA . 19379 1 238 . 1 1 26 26 LEU HB2 H 1 1.853 0.014 . . . . . A 26 LEU HB2 . 19379 1 239 . 1 1 26 26 LEU HD11 H 1 0.876 0.017 . . . . . A 26 LEU HD11 . 19379 1 240 . 1 1 26 26 LEU HD12 H 1 0.876 0.017 . . . . . A 26 LEU HD12 . 19379 1 241 . 1 1 26 26 LEU HD13 H 1 0.876 0.017 . . . . . A 26 LEU HD13 . 19379 1 242 . 1 1 26 26 LEU C C 13 178.264 0.010 . . . . . A 26 LEU C . 19379 1 243 . 1 1 26 26 LEU CA C 13 58.232 0.020 . . . . . A 26 LEU CA . 19379 1 244 . 1 1 26 26 LEU CB C 13 42.116 0.010 . . . . . A 26 LEU CB . 19379 1 245 . 1 1 26 26 LEU CD1 C 13 25.021 0.012 . . . . . A 26 LEU CD1 . 19379 1 246 . 1 1 26 26 LEU N N 15 112.846 0.116 . . . . . A 26 LEU N . 19379 1 247 . 1 1 27 27 VAL H H 1 7.901 0.011 . . . . . A 27 VAL H . 19379 1 248 . 1 1 27 27 VAL HA H 1 3.560 0.013 . . . . . A 27 VAL HA . 19379 1 249 . 1 1 27 27 VAL HB H 1 2.184 0.014 . . . . . A 27 VAL HB . 19379 1 250 . 1 1 27 27 VAL HG11 H 1 0.893 0.025 . . . . . A 27 VAL HG11 . 19379 1 251 . 1 1 27 27 VAL HG12 H 1 0.893 0.025 . . . . . A 27 VAL HG12 . 19379 1 252 . 1 1 27 27 VAL HG13 H 1 0.893 0.025 . . . . . A 27 VAL HG13 . 19379 1 253 . 1 1 27 27 VAL HG21 H 1 0.669 0.018 . . . . . A 27 VAL HG21 . 19379 1 254 . 1 1 27 27 VAL HG22 H 1 0.669 0.018 . . . . . A 27 VAL HG22 . 19379 1 255 . 1 1 27 27 VAL HG23 H 1 0.669 0.018 . . . . . A 27 VAL HG23 . 19379 1 256 . 1 1 27 27 VAL CA C 13 66.180 0.110 . . . . . A 27 VAL CA . 19379 1 257 . 1 1 27 27 VAL CB C 13 31.662 0.010 . . . . . A 27 VAL CB . 19379 1 258 . 1 1 27 27 VAL CG1 C 13 22.029 0.094 . . . . . A 27 VAL CG1 . 19379 1 259 . 1 1 27 27 VAL CG2 C 13 21.850 0.150 . . . . . A 27 VAL CG2 . 19379 1 260 . 1 1 27 27 VAL N N 15 114.825 0.148 . . . . . A 27 VAL N . 19379 1 261 . 1 1 28 28 PHE H H 1 7.951 0.018 . . . . . A 28 PHE H . 19379 1 262 . 1 1 28 28 PHE HA H 1 4.268 0.021 . . . . . A 28 PHE HA . 19379 1 263 . 1 1 28 28 PHE HB2 H 1 3.130 0.015 . . . . . A 28 PHE HB2 . 19379 1 264 . 1 1 28 28 PHE HD1 H 1 7.351 0.011 . . . . . A 28 PHE HD1 . 19379 1 265 . 1 1 28 28 PHE HE1 H 1 7.156 0.010 . . . . . A 28 PHE HE1 . 19379 1 266 . 1 1 28 28 PHE C C 13 176.498 0.010 . . . . . A 28 PHE C . 19379 1 267 . 1 1 28 28 PHE CA C 13 60.731 0.056 . . . . . A 28 PHE CA . 19379 1 268 . 1 1 28 28 PHE CB C 13 38.365 0.010 . . . . . A 28 PHE CB . 19379 1 269 . 1 1 28 28 PHE CD1 C 13 130.536 0.135 . . . . . A 28 PHE CD1 . 19379 1 270 . 1 1 28 28 PHE N N 15 116.056 0.136 . . . . . A 28 PHE N . 19379 1 271 . 1 1 29 29 LEU H H 1 7.923 0.012 . . . . . A 29 LEU H . 19379 1 272 . 1 1 29 29 LEU HA H 1 4.335 0.022 . . . . . A 29 LEU HA . 19379 1 273 . 1 1 29 29 LEU HB2 H 1 1.909 0.017 . . . . . A 29 LEU HB2 . 19379 1 274 . 1 1 29 29 LEU HB3 H 1 1.479 0.017 . . . . . A 29 LEU HB3 . 19379 1 275 . 1 1 29 29 LEU HD11 H 1 0.636 0.018 . . . . . A 29 LEU HD11 . 19379 1 276 . 1 1 29 29 LEU HD12 H 1 0.636 0.018 . . . . . A 29 LEU HD12 . 19379 1 277 . 1 1 29 29 LEU HD13 H 1 0.636 0.018 . . . . . A 29 LEU HD13 . 19379 1 278 . 1 1 29 29 LEU HD21 H 1 0.856 0.015 . . . . . A 29 LEU HD21 . 19379 1 279 . 1 1 29 29 LEU HD22 H 1 0.856 0.015 . . . . . A 29 LEU HD22 . 19379 1 280 . 1 1 29 29 LEU HD23 H 1 0.856 0.015 . . . . . A 29 LEU HD23 . 19379 1 281 . 1 1 29 29 LEU C C 13 176.971 0.010 . . . . . A 29 LEU C . 19379 1 282 . 1 1 29 29 LEU CA C 13 55.598 0.086 . . . . . A 29 LEU CA . 19379 1 283 . 1 1 29 29 LEU CB C 13 41.956 0.017 . . . . . A 29 LEU CB . 19379 1 284 . 1 1 29 29 LEU CD1 C 13 23.191 0.148 . . . . . A 29 LEU CD1 . 19379 1 285 . 1 1 29 29 LEU CD2 C 13 24.913 0.106 . . . . . A 29 LEU CD2 . 19379 1 286 . 1 1 29 29 LEU N N 15 116.753 0.081 . . . . . A 29 LEU N . 19379 1 287 . 1 1 30 30 LEU H H 1 7.463 0.010 . . . . . A 30 LEU H . 19379 1 288 . 1 1 30 30 LEU HA H 1 4.419 0.010 . . . . . A 30 LEU HA . 19379 1 289 . 1 1 30 30 LEU HB2 H 1 1.962 0.022 . . . . . A 30 LEU HB2 . 19379 1 290 . 1 1 30 30 LEU HD11 H 1 0.843 0.016 . . . . . A 30 LEU HD11 . 19379 1 291 . 1 1 30 30 LEU HD12 H 1 0.843 0.016 . . . . . A 30 LEU HD12 . 19379 1 292 . 1 1 30 30 LEU HD13 H 1 0.843 0.016 . . . . . A 30 LEU HD13 . 19379 1 293 . 1 1 30 30 LEU CA C 13 54.251 0.010 . . . . . A 30 LEU CA . 19379 1 294 . 1 1 30 30 LEU CB C 13 41.985 0.010 . . . . . A 30 LEU CB . 19379 1 295 . 1 1 30 30 LEU CD1 C 13 24.310 0.162 . . . . . A 30 LEU CD1 . 19379 1 296 . 1 1 30 30 LEU N N 15 119.945 0.092 . . . . . A 30 LEU N . 19379 1 297 . 1 1 31 31 PRO HA H 1 4.483 0.018 . . . . . A 31 PRO HA . 19379 1 298 . 1 1 31 31 PRO HB3 H 1 1.993 0.015 . . . . . A 31 PRO HB3 . 19379 1 299 . 1 1 31 31 PRO HD3 H 1 3.543 0.011 . . . . . A 31 PRO HD3 . 19379 1 300 . 1 1 31 31 PRO C C 13 176.353 0.010 . . . . . A 31 PRO C . 19379 1 301 . 1 1 31 31 PRO CA C 13 63.133 0.047 . . . . . A 31 PRO CA . 19379 1 302 . 1 1 31 31 PRO CB C 13 31.189 0.010 . . . . . A 31 PRO CB . 19379 1 303 . 1 1 31 31 PRO CD C 13 50.397 0.010 . . . . . A 31 PRO CD . 19379 1 304 . 1 1 32 32 ALA H H 1 8.195 0.019 . . . . . A 32 ALA H . 19379 1 305 . 1 1 32 32 ALA HA H 1 4.242 0.021 . . . . . A 32 ALA HA . 19379 1 306 . 1 1 32 32 ALA HB1 H 1 1.350 0.017 . . . . . A 32 ALA HB1 . 19379 1 307 . 1 1 32 32 ALA HB2 H 1 1.350 0.017 . . . . . A 32 ALA HB2 . 19379 1 308 . 1 1 32 32 ALA HB3 H 1 1.350 0.017 . . . . . A 32 ALA HB3 . 19379 1 309 . 1 1 32 32 ALA C C 13 177.196 0.010 . . . . . A 32 ALA C . 19379 1 310 . 1 1 32 32 ALA CA C 13 52.857 0.049 . . . . . A 32 ALA CA . 19379 1 311 . 1 1 32 32 ALA CB C 13 19.335 0.122 . . . . . A 32 ALA CB . 19379 1 312 . 1 1 32 32 ALA N N 15 123.652 0.106 . . . . . A 32 ALA N . 19379 1 313 . 1 1 33 33 ASP H H 1 8.239 0.015 . . . . . A 33 ASP H . 19379 1 314 . 1 1 33 33 ASP HA H 1 4.553 0.016 . . . . . A 33 ASP HA . 19379 1 315 . 1 1 33 33 ASP HB2 H 1 2.793 0.015 . . . . . A 33 ASP HB2 . 19379 1 316 . 1 1 33 33 ASP C C 13 176.625 0.010 . . . . . A 33 ASP C . 19379 1 317 . 1 1 33 33 ASP CA C 13 54.352 0.176 . . . . . A 33 ASP CA . 19379 1 318 . 1 1 33 33 ASP CB C 13 41.214 0.010 . . . . . A 33 ASP CB . 19379 1 319 . 1 1 33 33 ASP N N 15 118.001 0.090 . . . . . A 33 ASP N . 19379 1 320 . 1 1 34 34 SER H H 1 8.172 0.010 . . . . . A 34 SER H . 19379 1 321 . 1 1 34 34 SER HA H 1 4.293 0.013 . . . . . A 34 SER HA . 19379 1 322 . 1 1 34 34 SER HB2 H 1 3.881 0.013 . . . . . A 34 SER HB2 . 19379 1 323 . 1 1 34 34 SER C C 13 175.478 0.010 . . . . . A 34 SER C . 19379 1 324 . 1 1 34 34 SER CA C 13 60.288 0.065 . . . . . A 34 SER CA . 19379 1 325 . 1 1 34 34 SER CB C 13 63.500 0.010 . . . . . A 34 SER CB . 19379 1 326 . 1 1 34 34 SER N N 15 115.720 0.059 . . . . . A 34 SER N . 19379 1 327 . 1 1 35 35 GLY H H 1 8.473 0.018 . . . . . A 35 GLY H . 19379 1 328 . 1 1 35 35 GLY HA2 H 1 3.822 0.010 . . . . . A 35 GLY HA2 . 19379 1 329 . 1 1 35 35 GLY C C 13 175.245 0.010 . . . . . A 35 GLY C . 19379 1 330 . 1 1 35 35 GLY CA C 13 46.463 0.209 . . . . . A 35 GLY CA . 19379 1 331 . 1 1 35 35 GLY N N 15 109.872 0.040 . . . . . A 35 GLY N . 19379 1 332 . 1 1 36 36 GLU H H 1 8.240 0.016 . . . . . A 36 GLU H . 19379 1 333 . 1 1 36 36 GLU HA H 1 4.185 0.018 . . . . . A 36 GLU HA . 19379 1 334 . 1 1 36 36 GLU HB2 H 1 2.030 0.019 . . . . . A 36 GLU HB2 . 19379 1 335 . 1 1 36 36 GLU CA C 13 58.361 0.153 . . . . . A 36 GLU CA . 19379 1 336 . 1 1 36 36 GLU CB C 13 29.664 0.010 . . . . . A 36 GLU CB . 19379 1 337 . 1 1 36 36 GLU N N 15 121.668 0.054 . . . . . A 36 GLU N . 19379 1 338 . 1 1 37 37 LYS H H 1 8.433 0.015 . . . . . A 37 LYS H . 19379 1 339 . 1 1 37 37 LYS HA H 1 3.934 0.012 . . . . . A 37 LYS HA . 19379 1 340 . 1 1 37 37 LYS HB2 H 1 1.774 0.010 . . . . . A 37 LYS HB2 . 19379 1 341 . 1 1 37 37 LYS HG2 H 1 1.428 0.010 . . . . . A 37 LYS HG2 . 19379 1 342 . 1 1 37 37 LYS HD2 H 1 1.663 0.016 . . . . . A 37 LYS HD2 . 19379 1 343 . 1 1 37 37 LYS HD3 H 1 1.663 0.016 . . . . . A 37 LYS HD3 . 19379 1 344 . 1 1 37 37 LYS HE2 H 1 2.973 0.012 . . . . . A 37 LYS HE2 . 19379 1 345 . 1 1 37 37 LYS HE3 H 1 2.973 0.012 . . . . . A 37 LYS HE3 . 19379 1 346 . 1 1 37 37 LYS CA C 13 58.205 0.010 . . . . . A 37 LYS CA . 19379 1 347 . 1 1 37 37 LYS CB C 13 31.843 0.010 . . . . . A 37 LYS CB . 19379 1 348 . 1 1 37 37 LYS CG C 13 24.809 0.010 . . . . . A 37 LYS CG . 19379 1 349 . 1 1 37 37 LYS CD C 13 29.208 0.010 . . . . . A 37 LYS CD . 19379 1 350 . 1 1 37 37 LYS CE C 13 42.278 0.011 . . . . . A 37 LYS CE . 19379 1 351 . 1 1 37 37 LYS N N 15 124.380 0.098 . . . . . A 37 LYS N . 19379 1 352 . 1 1 38 38 ILE H H 1 8.249 0.010 . . . . . A 38 ILE H . 19379 1 353 . 1 1 38 38 ILE HA H 1 3.696 0.010 . . . . . A 38 ILE HA . 19379 1 354 . 1 1 38 38 ILE HB H 1 1.960 0.012 . . . . . A 38 ILE HB . 19379 1 355 . 1 1 38 38 ILE HG21 H 1 0.894 0.013 . . . . . A 38 ILE HG21 . 19379 1 356 . 1 1 38 38 ILE HG22 H 1 0.894 0.013 . . . . . A 38 ILE HG22 . 19379 1 357 . 1 1 38 38 ILE HG23 H 1 0.894 0.013 . . . . . A 38 ILE HG23 . 19379 1 358 . 1 1 38 38 ILE HD11 H 1 0.745 0.010 . . . . . A 38 ILE HD11 . 19379 1 359 . 1 1 38 38 ILE HD12 H 1 0.745 0.010 . . . . . A 38 ILE HD12 . 19379 1 360 . 1 1 38 38 ILE HD13 H 1 0.745 0.010 . . . . . A 38 ILE HD13 . 19379 1 361 . 1 1 38 38 ILE CA C 13 64.800 0.161 . . . . . A 38 ILE CA . 19379 1 362 . 1 1 38 38 ILE CB C 13 37.774 0.010 . . . . . A 38 ILE CB . 19379 1 363 . 1 1 38 38 ILE CG2 C 13 18.020 0.010 . . . . . A 38 ILE CG2 . 19379 1 364 . 1 1 38 38 ILE CD1 C 13 13.235 0.010 . . . . . A 38 ILE CD1 . 19379 1 365 . 1 1 38 38 ILE N N 15 116.747 0.010 . . . . . A 38 ILE N . 19379 1 366 . 1 1 39 39 SER H H 1 8.136 0.010 . . . . . A 39 SER H . 19379 1 367 . 1 1 39 39 SER HA H 1 4.027 0.015 . . . . . A 39 SER HA . 19379 1 368 . 1 1 39 39 SER C C 13 176.123 0.010 . . . . . A 39 SER C . 19379 1 369 . 1 1 39 39 SER CA C 13 63.514 0.090 . . . . . A 39 SER CA . 19379 1 370 . 1 1 39 39 SER N N 15 115.805 0.010 . . . . . A 39 SER N . 19379 1 371 . 1 1 40 40 LEU H H 1 8.228 0.018 . . . . . A 40 LEU H . 19379 1 372 . 1 1 40 40 LEU HA H 1 3.966 0.023 . . . . . A 40 LEU HA . 19379 1 373 . 1 1 40 40 LEU HB2 H 1 1.772 0.015 . . . . . A 40 LEU HB2 . 19379 1 374 . 1 1 40 40 LEU HD11 H 1 0.857 0.013 . . . . . A 40 LEU HD11 . 19379 1 375 . 1 1 40 40 LEU HD12 H 1 0.857 0.013 . . . . . A 40 LEU HD12 . 19379 1 376 . 1 1 40 40 LEU HD13 H 1 0.857 0.013 . . . . . A 40 LEU HD13 . 19379 1 377 . 1 1 40 40 LEU C C 13 178.392 0.010 . . . . . A 40 LEU C . 19379 1 378 . 1 1 40 40 LEU CA C 13 58.256 0.029 . . . . . A 40 LEU CA . 19379 1 379 . 1 1 40 40 LEU CB C 13 41.909 0.010 . . . . . A 40 LEU CB . 19379 1 380 . 1 1 40 40 LEU CD1 C 13 25.260 0.010 . . . . . A 40 LEU CD1 . 19379 1 381 . 1 1 40 40 LEU N N 15 121.327 0.015 . . . . . A 40 LEU N . 19379 1 382 . 1 1 41 41 GLY H H 1 8.482 0.015 . . . . . A 41 GLY H . 19379 1 383 . 1 1 41 41 GLY HA2 H 1 3.678 0.022 . . . . . A 41 GLY HA2 . 19379 1 384 . 1 1 41 41 GLY CA C 13 48.005 0.167 . . . . . A 41 GLY CA . 19379 1 385 . 1 1 41 41 GLY N N 15 107.044 0.131 . . . . . A 41 GLY N . 19379 1 386 . 1 1 42 42 ILE HA H 1 3.661 0.010 . . . . . A 42 ILE HA . 19379 1 387 . 1 1 42 42 ILE CA C 13 65.217 0.034 . . . . . A 42 ILE CA . 19379 1 388 . 1 1 43 43 THR H H 1 8.011 0.015 . . . . . A 43 THR H . 19379 1 389 . 1 1 43 43 THR HA H 1 3.625 0.030 . . . . . A 43 THR HA . 19379 1 390 . 1 1 43 43 THR HB H 1 4.255 0.010 . . . . . A 43 THR HB . 19379 1 391 . 1 1 43 43 THR HG21 H 1 1.120 0.011 . . . . . A 43 THR HG21 . 19379 1 392 . 1 1 43 43 THR HG22 H 1 1.120 0.011 . . . . . A 43 THR HG22 . 19379 1 393 . 1 1 43 43 THR HG23 H 1 1.120 0.011 . . . . . A 43 THR HG23 . 19379 1 394 . 1 1 43 43 THR C C 13 175.995 0.010 . . . . . A 43 THR C . 19379 1 395 . 1 1 43 43 THR CA C 13 68.666 0.087 . . . . . A 43 THR CA . 19379 1 396 . 1 1 43 43 THR CG2 C 13 21.868 0.016 . . . . . A 43 THR CG2 . 19379 1 397 . 1 1 43 43 THR N N 15 117.322 0.084 . . . . . A 43 THR N . 19379 1 398 . 1 1 44 44 VAL H H 1 8.278 0.019 . . . . . A 44 VAL H . 19379 1 399 . 1 1 44 44 VAL HA H 1 3.569 0.016 . . . . . A 44 VAL HA . 19379 1 400 . 1 1 44 44 VAL HB H 1 2.172 0.012 . . . . . A 44 VAL HB . 19379 1 401 . 1 1 44 44 VAL HG11 H 1 0.990 0.011 . . . . . A 44 VAL HG11 . 19379 1 402 . 1 1 44 44 VAL HG12 H 1 0.990 0.011 . . . . . A 44 VAL HG12 . 19379 1 403 . 1 1 44 44 VAL HG13 H 1 0.990 0.011 . . . . . A 44 VAL HG13 . 19379 1 404 . 1 1 44 44 VAL HG21 H 1 0.892 0.010 . . . . . A 44 VAL HG21 . 19379 1 405 . 1 1 44 44 VAL HG22 H 1 0.892 0.010 . . . . . A 44 VAL HG22 . 19379 1 406 . 1 1 44 44 VAL HG23 H 1 0.892 0.010 . . . . . A 44 VAL HG23 . 19379 1 407 . 1 1 44 44 VAL C C 13 178.191 0.010 . . . . . A 44 VAL C . 19379 1 408 . 1 1 44 44 VAL CA C 13 67.248 0.083 . . . . . A 44 VAL CA . 19379 1 409 . 1 1 44 44 VAL CB C 13 31.576 0.010 . . . . . A 44 VAL CB . 19379 1 410 . 1 1 44 44 VAL CG1 C 13 23.346 0.012 . . . . . A 44 VAL CG1 . 19379 1 411 . 1 1 44 44 VAL CG2 C 13 21.538 0.088 . . . . . A 44 VAL CG2 . 19379 1 412 . 1 1 44 44 VAL N N 15 123.833 0.052 . . . . . A 44 VAL N . 19379 1 413 . 1 1 45 45 LEU H H 1 8.038 0.012 . . . . . A 45 LEU H . 19379 1 414 . 1 1 45 45 LEU HA H 1 4.048 0.018 . . . . . A 45 LEU HA . 19379 1 415 . 1 1 45 45 LEU HB2 H 1 1.780 0.014 . . . . . A 45 LEU HB2 . 19379 1 416 . 1 1 45 45 LEU HD11 H 1 0.825 0.018 . . . . . A 45 LEU HD11 . 19379 1 417 . 1 1 45 45 LEU HD12 H 1 0.825 0.018 . . . . . A 45 LEU HD12 . 19379 1 418 . 1 1 45 45 LEU HD13 H 1 0.825 0.018 . . . . . A 45 LEU HD13 . 19379 1 419 . 1 1 45 45 LEU C C 13 180.075 0.010 . . . . . A 45 LEU C . 19379 1 420 . 1 1 45 45 LEU CA C 13 58.717 0.025 . . . . . A 45 LEU CA . 19379 1 421 . 1 1 45 45 LEU CB C 13 41.974 0.010 . . . . . A 45 LEU CB . 19379 1 422 . 1 1 45 45 LEU CD1 C 13 25.074 0.036 . . . . . A 45 LEU CD1 . 19379 1 423 . 1 1 45 45 LEU N N 15 118.865 0.094 . . . . . A 45 LEU N . 19379 1 424 . 1 1 46 46 LEU H H 1 8.887 0.010 . . . . . A 46 LEU H . 19379 1 425 . 1 1 46 46 LEU HA H 1 3.982 0.012 . . . . . A 46 LEU HA . 19379 1 426 . 1 1 46 46 LEU HB2 H 1 1.757 0.015 . . . . . A 46 LEU HB2 . 19379 1 427 . 1 1 46 46 LEU HB3 H 1 1.512 0.014 . . . . . A 46 LEU HB3 . 19379 1 428 . 1 1 46 46 LEU HD11 H 1 0.864 0.016 . . . . . A 46 LEU HD11 . 19379 1 429 . 1 1 46 46 LEU HD12 H 1 0.864 0.016 . . . . . A 46 LEU HD12 . 19379 1 430 . 1 1 46 46 LEU HD13 H 1 0.864 0.016 . . . . . A 46 LEU HD13 . 19379 1 431 . 1 1 46 46 LEU C C 13 178.433 0.010 . . . . . A 46 LEU C . 19379 1 432 . 1 1 46 46 LEU CA C 13 58.396 0.101 . . . . . A 46 LEU CA . 19379 1 433 . 1 1 46 46 LEU CB C 13 41.968 0.017 . . . . . A 46 LEU CB . 19379 1 434 . 1 1 46 46 LEU CD1 C 13 24.989 0.030 . . . . . A 46 LEU CD1 . 19379 1 435 . 1 1 46 46 LEU N N 15 120.099 0.116 . . . . . A 46 LEU N . 19379 1 436 . 1 1 47 47 SER H H 1 8.128 0.017 . . . . . A 47 SER H . 19379 1 437 . 1 1 47 47 SER HA H 1 4.046 0.010 . . . . . A 47 SER HA . 19379 1 438 . 1 1 47 47 SER HB2 H 1 3.966 0.018 . . . . . A 47 SER HB2 . 19379 1 439 . 1 1 47 47 SER CA C 13 63.653 0.067 . . . . . A 47 SER CA . 19379 1 440 . 1 1 47 47 SER CB C 13 63.274 0.010 . . . . . A 47 SER CB . 19379 1 441 . 1 1 47 47 SER N N 15 115.346 0.129 . . . . . A 47 SER N . 19379 1 442 . 1 1 48 48 LEU HA H 1 3.956 0.012 . . . . . A 48 LEU HA . 19379 1 443 . 1 1 48 48 LEU HB2 H 1 1.753 0.014 . . . . . A 48 LEU HB2 . 19379 1 444 . 1 1 48 48 LEU HD11 H 1 0.821 0.017 . . . . . A 48 LEU HD11 . 19379 1 445 . 1 1 48 48 LEU HD12 H 1 0.821 0.017 . . . . . A 48 LEU HD12 . 19379 1 446 . 1 1 48 48 LEU HD13 H 1 0.821 0.017 . . . . . A 48 LEU HD13 . 19379 1 447 . 1 1 48 48 LEU C C 13 178.008 0.010 . . . . . A 48 LEU C . 19379 1 448 . 1 1 48 48 LEU CA C 13 58.397 0.052 . . . . . A 48 LEU CA . 19379 1 449 . 1 1 48 48 LEU CB C 13 41.888 0.010 . . . . . A 48 LEU CB . 19379 1 450 . 1 1 48 48 LEU CD1 C 13 24.766 0.226 . . . . . A 48 LEU CD1 . 19379 1 451 . 1 1 49 49 THR H H 1 8.267 0.017 . . . . . A 49 THR H . 19379 1 452 . 1 1 49 49 THR HA H 1 3.725 0.024 . . . . . A 49 THR HA . 19379 1 453 . 1 1 49 49 THR HG21 H 1 1.134 0.015 . . . . . A 49 THR HG21 . 19379 1 454 . 1 1 49 49 THR HG22 H 1 1.134 0.015 . . . . . A 49 THR HG22 . 19379 1 455 . 1 1 49 49 THR HG23 H 1 1.134 0.015 . . . . . A 49 THR HG23 . 19379 1 456 . 1 1 49 49 THR C C 13 175.952 0.010 . . . . . A 49 THR C . 19379 1 457 . 1 1 49 49 THR CA C 13 68.782 0.068 . . . . . A 49 THR CA . 19379 1 458 . 1 1 49 49 THR CG2 C 13 21.999 0.112 . . . . . A 49 THR CG2 . 19379 1 459 . 1 1 49 49 THR N N 15 115.799 0.105 . . . . . A 49 THR N . 19379 1 460 . 1 1 50 50 VAL H H 1 8.178 0.012 . . . . . A 50 VAL H . 19379 1 461 . 1 1 50 50 VAL HA H 1 3.511 0.015 . . . . . A 50 VAL HA . 19379 1 462 . 1 1 50 50 VAL HB H 1 2.191 0.013 . . . . . A 50 VAL HB . 19379 1 463 . 1 1 50 50 VAL HG11 H 1 0.962 0.017 . . . . . A 50 VAL HG11 . 19379 1 464 . 1 1 50 50 VAL HG12 H 1 0.962 0.017 . . . . . A 50 VAL HG12 . 19379 1 465 . 1 1 50 50 VAL HG13 H 1 0.962 0.017 . . . . . A 50 VAL HG13 . 19379 1 466 . 1 1 50 50 VAL HG21 H 1 0.835 0.010 . . . . . A 50 VAL HG21 . 19379 1 467 . 1 1 50 50 VAL HG22 H 1 0.835 0.010 . . . . . A 50 VAL HG22 . 19379 1 468 . 1 1 50 50 VAL HG23 H 1 0.835 0.010 . . . . . A 50 VAL HG23 . 19379 1 469 . 1 1 50 50 VAL C C 13 177.285 0.010 . . . . . A 50 VAL C . 19379 1 470 . 1 1 50 50 VAL CA C 13 67.360 0.051 . . . . . A 50 VAL CA . 19379 1 471 . 1 1 50 50 VAL CB C 13 31.662 0.010 . . . . . A 50 VAL CB . 19379 1 472 . 1 1 50 50 VAL CG1 C 13 22.689 0.095 . . . . . A 50 VAL CG1 . 19379 1 473 . 1 1 50 50 VAL CG2 C 13 21.327 0.023 . . . . . A 50 VAL CG2 . 19379 1 474 . 1 1 50 50 VAL N N 15 118.667 0.080 . . . . . A 50 VAL N . 19379 1 475 . 1 1 51 51 PHE H H 1 8.255 0.011 . . . . . A 51 PHE H . 19379 1 476 . 1 1 51 51 PHE HA H 1 4.150 0.010 . . . . . A 51 PHE HA . 19379 1 477 . 1 1 51 51 PHE HD1 H 1 7.356 0.012 . . . . . A 51 PHE HD1 . 19379 1 478 . 1 1 51 51 PHE C C 13 177.051 0.010 . . . . . A 51 PHE C . 19379 1 479 . 1 1 51 51 PHE CA C 13 61.907 0.042 . . . . . A 51 PHE CA . 19379 1 480 . 1 1 51 51 PHE CD1 C 13 130.626 0.062 . . . . . A 51 PHE CD1 . 19379 1 481 . 1 1 51 51 PHE N N 15 118.529 0.064 . . . . . A 51 PHE N . 19379 1 482 . 1 1 52 52 MET H H 1 8.408 0.011 . . . . . A 52 MET H . 19379 1 483 . 1 1 52 52 MET HA H 1 4.128 0.012 . . . . . A 52 MET HA . 19379 1 484 . 1 1 52 52 MET HB2 H 1 1.979 0.017 . . . . . A 52 MET HB2 . 19379 1 485 . 1 1 52 52 MET HG2 H 1 2.600 0.014 . . . . . A 52 MET HG2 . 19379 1 486 . 1 1 52 52 MET HG3 H 1 2.397 0.010 . . . . . A 52 MET HG3 . 19379 1 487 . 1 1 52 52 MET HE1 H 1 1.979 0.010 . . . . . A 52 MET HE1 . 19379 1 488 . 1 1 52 52 MET HE2 H 1 1.979 0.010 . . . . . A 52 MET HE2 . 19379 1 489 . 1 1 52 52 MET HE3 H 1 1.979 0.010 . . . . . A 52 MET HE3 . 19379 1 490 . 1 1 52 52 MET C C 13 178.115 0.010 . . . . . A 52 MET C . 19379 1 491 . 1 1 52 52 MET CA C 13 58.882 0.064 . . . . . A 52 MET CA . 19379 1 492 . 1 1 52 52 MET CB C 13 31.930 0.010 . . . . . A 52 MET CB . 19379 1 493 . 1 1 52 52 MET CG C 13 33.329 0.071 . . . . . A 52 MET CG . 19379 1 494 . 1 1 52 52 MET CE C 13 17.395 0.010 . . . . . A 52 MET CE . 19379 1 495 . 1 1 52 52 MET N N 15 116.331 0.083 . . . . . A 52 MET N . 19379 1 496 . 1 1 53 53 LEU H H 1 8.099 0.013 . . . . . A 53 LEU H . 19379 1 497 . 1 1 53 53 LEU HA H 1 3.975 0.010 . . . . . A 53 LEU HA . 19379 1 498 . 1 1 53 53 LEU HB2 H 1 1.855 0.012 . . . . . A 53 LEU HB2 . 19379 1 499 . 1 1 53 53 LEU HD11 H 1 0.818 0.016 . . . . . A 53 LEU HD11 . 19379 1 500 . 1 1 53 53 LEU HD12 H 1 0.818 0.016 . . . . . A 53 LEU HD12 . 19379 1 501 . 1 1 53 53 LEU HD13 H 1 0.818 0.016 . . . . . A 53 LEU HD13 . 19379 1 502 . 1 1 53 53 LEU C C 13 178.244 0.010 . . . . . A 53 LEU C . 19379 1 503 . 1 1 53 53 LEU CA C 13 58.144 0.018 . . . . . A 53 LEU CA . 19379 1 504 . 1 1 53 53 LEU CB C 13 42.116 0.010 . . . . . A 53 LEU CB . 19379 1 505 . 1 1 53 53 LEU CD1 C 13 24.968 0.051 . . . . . A 53 LEU CD1 . 19379 1 506 . 1 1 53 53 LEU N N 15 119.984 0.113 . . . . . A 53 LEU N . 19379 1 507 . 1 1 54 54 LEU H H 1 8.040 0.016 . . . . . A 54 LEU H . 19379 1 508 . 1 1 54 54 LEU HA H 1 3.978 0.023 . . . . . A 54 LEU HA . 19379 1 509 . 1 1 54 54 LEU HB2 H 1 1.846 0.013 . . . . . A 54 LEU HB2 . 19379 1 510 . 1 1 54 54 LEU HD11 H 1 0.796 0.014 . . . . . A 54 LEU HD11 . 19379 1 511 . 1 1 54 54 LEU HD12 H 1 0.796 0.014 . . . . . A 54 LEU HD12 . 19379 1 512 . 1 1 54 54 LEU HD13 H 1 0.796 0.014 . . . . . A 54 LEU HD13 . 19379 1 513 . 1 1 54 54 LEU C C 13 178.026 0.010 . . . . . A 54 LEU C . 19379 1 514 . 1 1 54 54 LEU CA C 13 58.259 0.050 . . . . . A 54 LEU CA . 19379 1 515 . 1 1 54 54 LEU CB C 13 42.116 0.010 . . . . . A 54 LEU CB . 19379 1 516 . 1 1 54 54 LEU CD1 C 13 24.527 0.015 . . . . . A 54 LEU CD1 . 19379 1 517 . 1 1 54 54 LEU N N 15 118.145 0.096 . . . . . A 54 LEU N . 19379 1 518 . 1 1 55 55 VAL H H 1 8.061 0.017 . . . . . A 55 VAL H . 19379 1 519 . 1 1 55 55 VAL HA H 1 3.422 0.030 . . . . . A 55 VAL HA . 19379 1 520 . 1 1 55 55 VAL HB H 1 1.956 0.019 . . . . . A 55 VAL HB . 19379 1 521 . 1 1 55 55 VAL HG11 H 1 0.942 0.021 . . . . . A 55 VAL HG11 . 19379 1 522 . 1 1 55 55 VAL HG12 H 1 0.942 0.021 . . . . . A 55 VAL HG12 . 19379 1 523 . 1 1 55 55 VAL HG13 H 1 0.942 0.021 . . . . . A 55 VAL HG13 . 19379 1 524 . 1 1 55 55 VAL HG21 H 1 0.768 0.016 . . . . . A 55 VAL HG21 . 19379 1 525 . 1 1 55 55 VAL HG22 H 1 0.768 0.016 . . . . . A 55 VAL HG22 . 19379 1 526 . 1 1 55 55 VAL HG23 H 1 0.768 0.016 . . . . . A 55 VAL HG23 . 19379 1 527 . 1 1 55 55 VAL C C 13 177.370 0.010 . . . . . A 55 VAL C . 19379 1 528 . 1 1 55 55 VAL CA C 13 66.793 0.043 . . . . . A 55 VAL CA . 19379 1 529 . 1 1 55 55 VAL CB C 13 31.930 0.010 . . . . . A 55 VAL CB . 19379 1 530 . 1 1 55 55 VAL CG1 C 13 22.671 0.062 . . . . . A 55 VAL CG1 . 19379 1 531 . 1 1 55 55 VAL CG2 C 13 22.265 0.245 . . . . . A 55 VAL CG2 . 19379 1 532 . 1 1 55 55 VAL N N 15 117.236 0.059 . . . . . A 55 VAL N . 19379 1 533 . 1 1 56 56 ALA H H 1 7.961 0.016 . . . . . A 56 ALA H . 19379 1 534 . 1 1 56 56 ALA HA H 1 3.953 0.018 . . . . . A 56 ALA HA . 19379 1 535 . 1 1 56 56 ALA HB1 H 1 1.449 0.010 . . . . . A 56 ALA HB1 . 19379 1 536 . 1 1 56 56 ALA HB2 H 1 1.449 0.010 . . . . . A 56 ALA HB2 . 19379 1 537 . 1 1 56 56 ALA HB3 H 1 1.449 0.010 . . . . . A 56 ALA HB3 . 19379 1 538 . 1 1 56 56 ALA C C 13 178.769 0.010 . . . . . A 56 ALA C . 19379 1 539 . 1 1 56 56 ALA CA C 13 54.712 0.043 . . . . . A 56 ALA CA . 19379 1 540 . 1 1 56 56 ALA CB C 13 18.659 0.059 . . . . . A 56 ALA CB . 19379 1 541 . 1 1 56 56 ALA N N 15 119.488 0.043 . . . . . A 56 ALA N . 19379 1 542 . 1 1 57 57 GLU H H 1 7.618 0.010 . . . . . A 57 GLU H . 19379 1 543 . 1 1 57 57 GLU HA H 1 4.263 0.011 . . . . . A 57 GLU HA . 19379 1 544 . 1 1 57 57 GLU HB2 H 1 2.086 0.010 . . . . . A 57 GLU HB2 . 19379 1 545 . 1 1 57 57 GLU HG2 H 1 2.211 0.010 . . . . . A 57 GLU HG2 . 19379 1 546 . 1 1 57 57 GLU C C 13 177.300 0.010 . . . . . A 57 GLU C . 19379 1 547 . 1 1 57 57 GLU CA C 13 57.203 0.056 . . . . . A 57 GLU CA . 19379 1 548 . 1 1 57 57 GLU CB C 13 29.578 0.010 . . . . . A 57 GLU CB . 19379 1 549 . 1 1 57 57 GLU CG C 13 36.039 0.010 . . . . . A 57 GLU CG . 19379 1 550 . 1 1 57 57 GLU N N 15 113.390 0.108 . . . . . A 57 GLU N . 19379 1 551 . 1 1 58 58 ILE H H 1 7.676 0.011 . . . . . A 58 ILE H . 19379 1 552 . 1 1 58 58 ILE HA H 1 4.176 0.017 . . . . . A 58 ILE HA . 19379 1 553 . 1 1 58 58 ILE HB H 1 1.907 0.015 . . . . . A 58 ILE HB . 19379 1 554 . 1 1 58 58 ILE HG13 H 1 1.316 0.025 . . . . . A 58 ILE HG13 . 19379 1 555 . 1 1 58 58 ILE HG21 H 1 0.913 0.013 . . . . . A 58 ILE HG21 . 19379 1 556 . 1 1 58 58 ILE HG22 H 1 0.913 0.013 . . . . . A 58 ILE HG22 . 19379 1 557 . 1 1 58 58 ILE HG23 H 1 0.913 0.013 . . . . . A 58 ILE HG23 . 19379 1 558 . 1 1 58 58 ILE HD11 H 1 0.781 0.015 . . . . . A 58 ILE HD11 . 19379 1 559 . 1 1 58 58 ILE HD12 H 1 0.781 0.015 . . . . . A 58 ILE HD12 . 19379 1 560 . 1 1 58 58 ILE HD13 H 1 0.781 0.015 . . . . . A 58 ILE HD13 . 19379 1 561 . 1 1 58 58 ILE C C 13 175.556 0.010 . . . . . A 58 ILE C . 19379 1 562 . 1 1 58 58 ILE CA C 13 61.911 0.066 . . . . . A 58 ILE CA . 19379 1 563 . 1 1 58 58 ILE CB C 13 38.515 0.010 . . . . . A 58 ILE CB . 19379 1 564 . 1 1 58 58 ILE CG1 C 13 28.268 0.010 . . . . . A 58 ILE CG1 . 19379 1 565 . 1 1 58 58 ILE CG2 C 13 18.203 0.031 . . . . . A 58 ILE CG2 . 19379 1 566 . 1 1 58 58 ILE CD1 C 13 13.652 0.265 . . . . . A 58 ILE CD1 . 19379 1 567 . 1 1 58 58 ILE N N 15 113.877 0.096 . . . . . A 58 ILE N . 19379 1 568 . 1 1 59 59 MET H H 1 7.640 0.015 . . . . . A 59 MET H . 19379 1 569 . 1 1 59 59 MET HA H 1 4.567 0.014 . . . . . A 59 MET HA . 19379 1 570 . 1 1 59 59 MET HB2 H 1 2.018 0.018 . . . . . A 59 MET HB2 . 19379 1 571 . 1 1 59 59 MET HG2 H 1 2.564 0.018 . . . . . A 59 MET HG2 . 19379 1 572 . 1 1 59 59 MET HE1 H 1 1.979 0.010 . . . . . A 59 MET HE1 . 19379 1 573 . 1 1 59 59 MET HE2 H 1 1.979 0.010 . . . . . A 59 MET HE2 . 19379 1 574 . 1 1 59 59 MET HE3 H 1 1.979 0.010 . . . . . A 59 MET HE3 . 19379 1 575 . 1 1 59 59 MET CA C 13 54.317 0.042 . . . . . A 59 MET CA . 19379 1 576 . 1 1 59 59 MET CB C 13 33.005 0.010 . . . . . A 59 MET CB . 19379 1 577 . 1 1 59 59 MET CG C 13 32.806 0.010 . . . . . A 59 MET CG . 19379 1 578 . 1 1 59 59 MET CE C 13 17.395 0.010 . . . . . A 59 MET CE . 19379 1 579 . 1 1 59 59 MET N N 15 120.029 0.103 . . . . . A 59 MET N . 19379 1 580 . 1 1 60 60 PRO HA H 1 4.465 0.010 . . . . . A 60 PRO HA . 19379 1 581 . 1 1 60 60 PRO HB2 H 1 2.287 0.014 . . . . . A 60 PRO HB2 . 19379 1 582 . 1 1 60 60 PRO HB3 H 1 1.909 0.017 . . . . . A 60 PRO HB3 . 19379 1 583 . 1 1 60 60 PRO HD3 H 1 3.609 0.015 . . . . . A 60 PRO HD3 . 19379 1 584 . 1 1 60 60 PRO C C 13 176.874 0.010 . . . . . A 60 PRO C . 19379 1 585 . 1 1 60 60 PRO CA C 13 63.525 0.028 . . . . . A 60 PRO CA . 19379 1 586 . 1 1 60 60 PRO CB C 13 31.232 0.011 . . . . . A 60 PRO CB . 19379 1 587 . 1 1 60 60 PRO CD C 13 50.595 0.010 . . . . . A 60 PRO CD . 19379 1 588 . 1 1 61 61 SER H H 1 8.313 0.017 . . . . . A 61 SER H . 19379 1 589 . 1 1 61 61 SER HA H 1 4.476 0.020 . . . . . A 61 SER HA . 19379 1 590 . 1 1 61 61 SER HB2 H 1 3.870 0.010 . . . . . A 61 SER HB2 . 19379 1 591 . 1 1 61 61 SER C C 13 174.979 0.010 . . . . . A 61 SER C . 19379 1 592 . 1 1 61 61 SER CA C 13 58.527 0.022 . . . . . A 61 SER CA . 19379 1 593 . 1 1 61 61 SER CB C 13 63.554 0.010 . . . . . A 61 SER CB . 19379 1 594 . 1 1 61 61 SER N N 15 115.199 0.048 . . . . . A 61 SER N . 19379 1 595 . 1 1 62 62 THR H H 1 8.023 0.015 . . . . . A 62 THR H . 19379 1 596 . 1 1 62 62 THR HA H 1 4.407 0.013 . . . . . A 62 THR HA . 19379 1 597 . 1 1 62 62 THR HG21 H 1 1.177 0.017 . . . . . A 62 THR HG21 . 19379 1 598 . 1 1 62 62 THR HG22 H 1 1.177 0.017 . . . . . A 62 THR HG22 . 19379 1 599 . 1 1 62 62 THR HG23 H 1 1.177 0.017 . . . . . A 62 THR HG23 . 19379 1 600 . 1 1 62 62 THR C C 13 174.765 0.010 . . . . . A 62 THR C . 19379 1 601 . 1 1 62 62 THR CA C 13 61.995 0.048 . . . . . A 62 THR CA . 19379 1 602 . 1 1 62 62 THR CG2 C 13 21.888 0.028 . . . . . A 62 THR CG2 . 19379 1 603 . 1 1 62 62 THR N N 15 114.342 0.163 . . . . . A 62 THR N . 19379 1 604 . 1 1 63 63 SER H H 1 8.190 0.016 . . . . . A 63 SER H . 19379 1 605 . 1 1 63 63 SER HA H 1 4.404 0.012 . . . . . A 63 SER HA . 19379 1 606 . 1 1 63 63 SER HB2 H 1 3.848 0.010 . . . . . A 63 SER HB2 . 19379 1 607 . 1 1 63 63 SER C C 13 174.351 0.010 . . . . . A 63 SER C . 19379 1 608 . 1 1 63 63 SER CA C 13 58.748 0.079 . . . . . A 63 SER CA . 19379 1 609 . 1 1 63 63 SER CB C 13 63.992 0.010 . . . . . A 63 SER CB . 19379 1 610 . 1 1 63 63 SER N N 15 116.548 0.063 . . . . . A 63 SER N . 19379 1 611 . 1 1 64 64 ASP H H 1 8.166 0.014 . . . . . A 64 ASP H . 19379 1 612 . 1 1 64 64 ASP HA H 1 4.504 0.015 . . . . . A 64 ASP HA . 19379 1 613 . 1 1 64 64 ASP HB2 H 1 2.684 0.020 . . . . . A 64 ASP HB2 . 19379 1 614 . 1 1 64 64 ASP C C 13 176.016 0.010 . . . . . A 64 ASP C . 19379 1 615 . 1 1 64 64 ASP CA C 13 54.587 0.045 . . . . . A 64 ASP CA . 19379 1 616 . 1 1 64 64 ASP CB C 13 41.293 0.010 . . . . . A 64 ASP CB . 19379 1 617 . 1 1 64 64 ASP N N 15 121.604 0.052 . . . . . A 64 ASP N . 19379 1 618 . 1 1 65 65 SER H H 1 8.022 0.014 . . . . . A 65 SER H . 19379 1 619 . 1 1 65 65 SER HA H 1 4.429 0.016 . . . . . A 65 SER HA . 19379 1 620 . 1 1 65 65 SER HB2 H 1 3.861 0.012 . . . . . A 65 SER HB2 . 19379 1 621 . 1 1 65 65 SER C C 13 174.398 0.010 . . . . . A 65 SER C . 19379 1 622 . 1 1 65 65 SER CA C 13 58.612 0.030 . . . . . A 65 SER CA . 19379 1 623 . 1 1 65 65 SER CB C 13 63.992 0.010 . . . . . A 65 SER CB . 19379 1 624 . 1 1 65 65 SER N N 15 114.720 0.127 . . . . . A 65 SER N . 19379 1 625 . 1 1 66 66 SER H H 1 8.149 0.019 . . . . . A 66 SER H . 19379 1 626 . 1 1 66 66 SER HA H 1 4.684 0.016 . . . . . A 66 SER HA . 19379 1 627 . 1 1 66 66 SER HB2 H 1 3.889 0.015 . . . . . A 66 SER HB2 . 19379 1 628 . 1 1 66 66 SER CA C 13 57.401 0.019 . . . . . A 66 SER CA . 19379 1 629 . 1 1 66 66 SER CB C 13 64.027 0.010 . . . . . A 66 SER CB . 19379 1 630 . 1 1 66 66 SER N N 15 117.939 0.104 . . . . . A 66 SER N . 19379 1 631 . 1 1 67 67 PRO HA H 1 4.373 0.010 . . . . . A 67 PRO HA . 19379 1 632 . 1 1 67 67 PRO HB3 H 1 2.183 0.010 . . . . . A 67 PRO HB3 . 19379 1 633 . 1 1 67 67 PRO HD2 H 1 3.486 0.010 . . . . . A 67 PRO HD2 . 19379 1 634 . 1 1 67 67 PRO HD3 H 1 3.567 0.012 . . . . . A 67 PRO HD3 . 19379 1 635 . 1 1 67 67 PRO C C 13 177.094 0.010 . . . . . A 67 PRO C . 19379 1 636 . 1 1 67 67 PRO CA C 13 63.920 0.046 . . . . . A 67 PRO CA . 19379 1 637 . 1 1 67 67 PRO CB C 13 31.275 0.010 . . . . . A 67 PRO CB . 19379 1 638 . 1 1 67 67 PRO CD C 13 50.427 0.010 . . . . . A 67 PRO CD . 19379 1 639 . 1 1 68 68 SER H H 1 8.083 0.015 . . . . . A 68 SER H . 19379 1 640 . 1 1 68 68 SER HA H 1 4.437 0.010 . . . . . A 68 SER HA . 19379 1 641 . 1 1 68 68 SER HB2 H 1 3.872 0.011 . . . . . A 68 SER HB2 . 19379 1 642 . 1 1 68 68 SER C C 13 175.206 0.010 . . . . . A 68 SER C . 19379 1 643 . 1 1 68 68 SER CA C 13 58.830 0.016 . . . . . A 68 SER CA . 19379 1 644 . 1 1 68 68 SER CB C 13 63.768 0.010 . . . . . A 68 SER CB . 19379 1 645 . 1 1 68 68 SER N N 15 115.315 0.152 . . . . . A 68 SER N . 19379 1 646 . 1 1 69 69 ILE H H 1 8.452 0.018 . . . . . A 69 ILE H . 19379 1 647 . 1 1 69 69 ILE HA H 1 3.947 0.018 . . . . . A 69 ILE HA . 19379 1 648 . 1 1 69 69 ILE HB H 1 1.933 0.015 . . . . . A 69 ILE HB . 19379 1 649 . 1 1 69 69 ILE HG12 H 1 1.652 0.013 . . . . . A 69 ILE HG12 . 19379 1 650 . 1 1 69 69 ILE HG13 H 1 1.280 0.015 . . . . . A 69 ILE HG13 . 19379 1 651 . 1 1 69 69 ILE HG21 H 1 0.953 0.017 . . . . . A 69 ILE HG21 . 19379 1 652 . 1 1 69 69 ILE HG22 H 1 0.953 0.017 . . . . . A 69 ILE HG22 . 19379 1 653 . 1 1 69 69 ILE HG23 H 1 0.953 0.017 . . . . . A 69 ILE HG23 . 19379 1 654 . 1 1 69 69 ILE HD11 H 1 0.910 0.019 . . . . . A 69 ILE HD11 . 19379 1 655 . 1 1 69 69 ILE HD12 H 1 0.910 0.019 . . . . . A 69 ILE HD12 . 19379 1 656 . 1 1 69 69 ILE HD13 H 1 0.910 0.019 . . . . . A 69 ILE HD13 . 19379 1 657 . 1 1 69 69 ILE C C 13 177.493 0.010 . . . . . A 69 ILE C . 19379 1 658 . 1 1 69 69 ILE CA C 13 64.525 0.019 . . . . . A 69 ILE CA . 19379 1 659 . 1 1 69 69 ILE CB C 13 37.602 0.010 . . . . . A 69 ILE CB . 19379 1 660 . 1 1 69 69 ILE CG1 C 13 28.483 0.075 . . . . . A 69 ILE CG1 . 19379 1 661 . 1 1 69 69 ILE CG2 C 13 17.843 0.122 . . . . . A 69 ILE CG2 . 19379 1 662 . 1 1 69 69 ILE CD1 C 13 13.365 0.049 . . . . . A 69 ILE CD1 . 19379 1 663 . 1 1 69 69 ILE N N 15 122.021 0.058 . . . . . A 69 ILE N . 19379 1 664 . 1 1 70 70 ALA H H 1 8.286 0.019 . . . . . A 70 ALA H . 19379 1 665 . 1 1 70 70 ALA HA H 1 3.964 0.020 . . . . . A 70 ALA HA . 19379 1 666 . 1 1 70 70 ALA HB1 H 1 1.409 0.019 . . . . . A 70 ALA HB1 . 19379 1 667 . 1 1 70 70 ALA HB2 H 1 1.409 0.019 . . . . . A 70 ALA HB2 . 19379 1 668 . 1 1 70 70 ALA HB3 H 1 1.409 0.019 . . . . . A 70 ALA HB3 . 19379 1 669 . 1 1 70 70 ALA C C 13 179.564 0.010 . . . . . A 70 ALA C . 19379 1 670 . 1 1 70 70 ALA CA C 13 55.603 0.090 . . . . . A 70 ALA CA . 19379 1 671 . 1 1 70 70 ALA CB C 13 18.255 0.074 . . . . . A 70 ALA CB . 19379 1 672 . 1 1 70 70 ALA N N 15 122.217 0.160 . . . . . A 70 ALA N . 19379 1 673 . 1 1 71 71 GLN H H 1 7.934 0.014 . . . . . A 71 GLN H . 19379 1 674 . 1 1 71 71 GLN HA H 1 3.954 0.016 . . . . . A 71 GLN HA . 19379 1 675 . 1 1 71 71 GLN HB2 H 1 2.188 0.012 . . . . . A 71 GLN HB2 . 19379 1 676 . 1 1 71 71 GLN HG2 H 1 2.262 0.025 . . . . . A 71 GLN HG2 . 19379 1 677 . 1 1 71 71 GLN HG3 H 1 2.262 0.025 . . . . . A 71 GLN HG3 . 19379 1 678 . 1 1 71 71 GLN HE21 H 1 6.729 0.014 . . . . . A 71 GLN HE21 . 19379 1 679 . 1 1 71 71 GLN HE22 H 1 7.399 0.013 . . . . . A 71 GLN HE22 . 19379 1 680 . 1 1 71 71 GLN CA C 13 59.229 0.059 . . . . . A 71 GLN CA . 19379 1 681 . 1 1 71 71 GLN CB C 13 28.648 0.010 . . . . . A 71 GLN CB . 19379 1 682 . 1 1 71 71 GLN CG C 13 34.336 0.010 . . . . . A 71 GLN CG . 19379 1 683 . 1 1 71 71 GLN N N 15 116.578 0.118 . . . . . A 71 GLN N . 19379 1 684 . 1 1 71 71 GLN NE2 N 15 111.637 0.017 . . . . . A 71 GLN NE2 . 19379 1 685 . 1 1 72 72 TYR H H 1 8.240 0.019 . . . . . A 72 TYR H . 19379 1 686 . 1 1 72 72 TYR HA H 1 4.191 0.011 . . . . . A 72 TYR HA . 19379 1 687 . 1 1 72 72 TYR HB2 H 1 3.292 0.017 . . . . . A 72 TYR HB2 . 19379 1 688 . 1 1 72 72 TYR HB3 H 1 3.045 0.014 . . . . . A 72 TYR HB3 . 19379 1 689 . 1 1 72 72 TYR HD2 H 1 7.115 0.018 . . . . . A 72 TYR HD2 . 19379 1 690 . 1 1 72 72 TYR HE2 H 1 6.778 0.013 . . . . . A 72 TYR HE2 . 19379 1 691 . 1 1 72 72 TYR C C 13 179.414 0.010 . . . . . A 72 TYR C . 19379 1 692 . 1 1 72 72 TYR CA C 13 61.653 0.093 . . . . . A 72 TYR CA . 19379 1 693 . 1 1 72 72 TYR CB C 13 38.376 0.021 . . . . . A 72 TYR CB . 19379 1 694 . 1 1 72 72 TYR CD2 C 13 133.253 0.137 . . . . . A 72 TYR CD2 . 19379 1 695 . 1 1 72 72 TYR CE2 C 13 118.199 0.035 . . . . . A 72 TYR CE2 . 19379 1 696 . 1 1 72 72 TYR N N 15 120.219 0.187 . . . . . A 72 TYR N . 19379 1 697 . 1 1 73 73 PHE H H 1 8.366 0.014 . . . . . A 73 PHE H . 19379 1 698 . 1 1 73 73 PHE HA H 1 4.168 0.014 . . . . . A 73 PHE HA . 19379 1 699 . 1 1 73 73 PHE HB2 H 1 3.086 0.014 . . . . . A 73 PHE HB2 . 19379 1 700 . 1 1 73 73 PHE HD2 H 1 7.000 0.020 . . . . . A 73 PHE HD2 . 19379 1 701 . 1 1 73 73 PHE HE2 H 1 7.003 0.031 . . . . . A 73 PHE HE2 . 19379 1 702 . 1 1 73 73 PHE C C 13 177.647 0.010 . . . . . A 73 PHE C . 19379 1 703 . 1 1 73 73 PHE CA C 13 61.315 0.076 . . . . . A 73 PHE CA . 19379 1 704 . 1 1 73 73 PHE CB C 13 38.365 0.010 . . . . . A 73 PHE CB . 19379 1 705 . 1 1 73 73 PHE CD2 C 13 131.232 0.014 . . . . . A 73 PHE CD2 . 19379 1 706 . 1 1 73 73 PHE N N 15 118.274 0.049 . . . . . A 73 PHE N . 19379 1 707 . 1 1 74 74 ALA H H 1 8.576 0.012 . . . . . A 74 ALA H . 19379 1 708 . 1 1 74 74 ALA HA H 1 3.861 0.010 . . . . . A 74 ALA HA . 19379 1 709 . 1 1 74 74 ALA HB1 H 1 1.508 0.019 . . . . . A 74 ALA HB1 . 19379 1 710 . 1 1 74 74 ALA HB2 H 1 1.508 0.019 . . . . . A 74 ALA HB2 . 19379 1 711 . 1 1 74 74 ALA HB3 H 1 1.508 0.019 . . . . . A 74 ALA HB3 . 19379 1 712 . 1 1 74 74 ALA C C 13 179.197 0.010 . . . . . A 74 ALA C . 19379 1 713 . 1 1 74 74 ALA CA C 13 55.902 0.075 . . . . . A 74 ALA CA . 19379 1 714 . 1 1 74 74 ALA CB C 13 18.689 0.134 . . . . . A 74 ALA CB . 19379 1 715 . 1 1 74 74 ALA N N 15 121.474 0.106 . . . . . A 74 ALA N . 19379 1 716 . 1 1 75 75 SER H H 1 8.232 0.019 . . . . . A 75 SER H . 19379 1 717 . 1 1 75 75 SER HA H 1 4.009 0.019 . . . . . A 75 SER HA . 19379 1 718 . 1 1 75 75 SER CA C 13 63.448 0.055 . . . . . A 75 SER CA . 19379 1 719 . 1 1 75 75 SER N N 15 111.824 0.103 . . . . . A 75 SER N . 19379 1 720 . 1 1 76 76 THR H H 1 8.184 0.011 . . . . . A 76 THR H . 19379 1 721 . 1 1 76 76 THR HA H 1 3.444 0.019 . . . . . A 76 THR HA . 19379 1 722 . 1 1 76 76 THR HG21 H 1 1.116 0.017 . . . . . A 76 THR HG21 . 19379 1 723 . 1 1 76 76 THR HG22 H 1 1.116 0.017 . . . . . A 76 THR HG22 . 19379 1 724 . 1 1 76 76 THR HG23 H 1 1.116 0.017 . . . . . A 76 THR HG23 . 19379 1 725 . 1 1 76 76 THR C C 13 176.476 0.010 . . . . . A 76 THR C . 19379 1 726 . 1 1 76 76 THR CA C 13 67.971 0.035 . . . . . A 76 THR CA . 19379 1 727 . 1 1 76 76 THR CG2 C 13 21.907 0.034 . . . . . A 76 THR CG2 . 19379 1 728 . 1 1 76 76 THR N N 15 115.733 0.064 . . . . . A 76 THR N . 19379 1 729 . 1 1 77 77 MET H H 1 8.169 0.018 . . . . . A 77 MET H . 19379 1 730 . 1 1 77 77 MET HA H 1 4.054 0.016 . . . . . A 77 MET HA . 19379 1 731 . 1 1 77 77 MET HB2 H 1 1.946 0.019 . . . . . A 77 MET HB2 . 19379 1 732 . 1 1 77 77 MET HG2 H 1 2.532 0.011 . . . . . A 77 MET HG2 . 19379 1 733 . 1 1 77 77 MET HG3 H 1 2.644 0.020 . . . . . A 77 MET HG3 . 19379 1 734 . 1 1 77 77 MET CA C 13 59.326 0.015 . . . . . A 77 MET CA . 19379 1 735 . 1 1 77 77 MET CB C 13 31.995 0.010 . . . . . A 77 MET CB . 19379 1 736 . 1 1 77 77 MET CG C 13 33.269 0.036 . . . . . A 77 MET CG . 19379 1 737 . 1 1 77 77 MET N N 15 119.747 0.056 . . . . . A 77 MET N . 19379 1 738 . 1 1 78 78 ILE H H 1 8.203 0.018 . . . . . A 78 ILE H . 19379 1 739 . 1 1 78 78 ILE HA H 1 3.478 0.019 . . . . . A 78 ILE HA . 19379 1 740 . 1 1 78 78 ILE HB H 1 1.833 0.010 . . . . . A 78 ILE HB . 19379 1 741 . 1 1 78 78 ILE HG21 H 1 0.812 0.011 . . . . . A 78 ILE HG21 . 19379 1 742 . 1 1 78 78 ILE HG22 H 1 0.812 0.011 . . . . . A 78 ILE HG22 . 19379 1 743 . 1 1 78 78 ILE HG23 H 1 0.812 0.011 . . . . . A 78 ILE HG23 . 19379 1 744 . 1 1 78 78 ILE HD11 H 1 0.704 0.018 . . . . . A 78 ILE HD11 . 19379 1 745 . 1 1 78 78 ILE HD12 H 1 0.704 0.018 . . . . . A 78 ILE HD12 . 19379 1 746 . 1 1 78 78 ILE HD13 H 1 0.704 0.018 . . . . . A 78 ILE HD13 . 19379 1 747 . 1 1 78 78 ILE CA C 13 65.845 0.083 . . . . . A 78 ILE CA . 19379 1 748 . 1 1 78 78 ILE CB C 13 37.387 0.010 . . . . . A 78 ILE CB . 19379 1 749 . 1 1 78 78 ILE CG2 C 13 17.679 0.070 . . . . . A 78 ILE CG2 . 19379 1 750 . 1 1 78 78 ILE CD1 C 13 13.127 0.158 . . . . . A 78 ILE CD1 . 19379 1 751 . 1 1 78 78 ILE N N 15 119.328 0.012 . . . . . A 78 ILE N . 19379 1 752 . 1 1 79 79 ILE H H 1 8.162 0.016 . . . . . A 79 ILE H . 19379 1 753 . 1 1 79 79 ILE HA H 1 3.686 0.016 . . . . . A 79 ILE HA . 19379 1 754 . 1 1 79 79 ILE HB H 1 1.853 0.010 . . . . . A 79 ILE HB . 19379 1 755 . 1 1 79 79 ILE HG21 H 1 0.839 0.016 . . . . . A 79 ILE HG21 . 19379 1 756 . 1 1 79 79 ILE HG22 H 1 0.839 0.016 . . . . . A 79 ILE HG22 . 19379 1 757 . 1 1 79 79 ILE HG23 H 1 0.839 0.016 . . . . . A 79 ILE HG23 . 19379 1 758 . 1 1 79 79 ILE HD11 H 1 0.832 0.016 . . . . . A 79 ILE HD11 . 19379 1 759 . 1 1 79 79 ILE HD12 H 1 0.832 0.016 . . . . . A 79 ILE HD12 . 19379 1 760 . 1 1 79 79 ILE HD13 H 1 0.832 0.016 . . . . . A 79 ILE HD13 . 19379 1 761 . 1 1 79 79 ILE C C 13 178.115 0.010 . . . . . A 79 ILE C . 19379 1 762 . 1 1 79 79 ILE CA C 13 66.007 0.024 . . . . . A 79 ILE CA . 19379 1 763 . 1 1 79 79 ILE CB C 13 37.386 0.010 . . . . . A 79 ILE CB . 19379 1 764 . 1 1 79 79 ILE CG2 C 13 17.724 0.012 . . . . . A 79 ILE CG2 . 19379 1 765 . 1 1 79 79 ILE CD1 C 13 13.330 0.076 . . . . . A 79 ILE CD1 . 19379 1 766 . 1 1 79 79 ILE N N 15 119.686 0.043 . . . . . A 79 ILE N . 19379 1 767 . 1 1 80 80 VAL H H 1 8.425 0.019 . . . . . A 80 VAL H . 19379 1 768 . 1 1 80 80 VAL HA H 1 3.675 0.013 . . . . . A 80 VAL HA . 19379 1 769 . 1 1 80 80 VAL HB H 1 2.322 0.012 . . . . . A 80 VAL HB . 19379 1 770 . 1 1 80 80 VAL HG11 H 1 1.023 0.020 . . . . . A 80 VAL HG11 . 19379 1 771 . 1 1 80 80 VAL HG12 H 1 1.023 0.020 . . . . . A 80 VAL HG12 . 19379 1 772 . 1 1 80 80 VAL HG13 H 1 1.023 0.020 . . . . . A 80 VAL HG13 . 19379 1 773 . 1 1 80 80 VAL HG21 H 1 0.945 0.018 . . . . . A 80 VAL HG21 . 19379 1 774 . 1 1 80 80 VAL HG22 H 1 0.945 0.018 . . . . . A 80 VAL HG22 . 19379 1 775 . 1 1 80 80 VAL HG23 H 1 0.945 0.018 . . . . . A 80 VAL HG23 . 19379 1 776 . 1 1 80 80 VAL CA C 13 67.149 0.041 . . . . . A 80 VAL CA . 19379 1 777 . 1 1 80 80 VAL CB C 13 31.511 0.010 . . . . . A 80 VAL CB . 19379 1 778 . 1 1 80 80 VAL CG1 C 13 23.355 0.234 . . . . . A 80 VAL CG1 . 19379 1 779 . 1 1 80 80 VAL CG2 C 13 22.133 0.023 . . . . . A 80 VAL CG2 . 19379 1 780 . 1 1 80 80 VAL N N 15 118.126 0.060 . . . . . A 80 VAL N . 19379 1 781 . 1 1 81 81 GLY H H 1 8.672 0.011 . . . . . A 81 GLY H . 19379 1 782 . 1 1 81 81 GLY HA2 H 1 3.621 0.019 . . . . . A 81 GLY HA2 . 19379 1 783 . 1 1 81 81 GLY C C 13 174.948 0.010 . . . . . A 81 GLY C . 19379 1 784 . 1 1 81 81 GLY CA C 13 48.004 0.151 . . . . . A 81 GLY CA . 19379 1 785 . 1 1 81 81 GLY N N 15 107.212 0.073 . . . . . A 81 GLY N . 19379 1 786 . 1 1 82 82 LEU H H 1 8.692 0.019 . . . . . A 82 LEU H . 19379 1 787 . 1 1 82 82 LEU HA H 1 4.027 0.010 . . . . . A 82 LEU HA . 19379 1 788 . 1 1 82 82 LEU HB2 H 1 1.603 0.014 . . . . . A 82 LEU HB2 . 19379 1 789 . 1 1 82 82 LEU HD11 H 1 0.795 0.013 . . . . . A 82 LEU HD11 . 19379 1 790 . 1 1 82 82 LEU HD12 H 1 0.795 0.013 . . . . . A 82 LEU HD12 . 19379 1 791 . 1 1 82 82 LEU HD13 H 1 0.795 0.013 . . . . . A 82 LEU HD13 . 19379 1 792 . 1 1 82 82 LEU C C 13 178.413 0.010 . . . . . A 82 LEU C . 19379 1 793 . 1 1 82 82 LEU CA C 13 58.221 0.013 . . . . . A 82 LEU CA . 19379 1 794 . 1 1 82 82 LEU CB C 13 42.275 0.010 . . . . . A 82 LEU CB . 19379 1 795 . 1 1 82 82 LEU CD1 C 13 25.125 0.087 . . . . . A 82 LEU CD1 . 19379 1 796 . 1 1 82 82 LEU N N 15 120.130 0.160 . . . . . A 82 LEU N . 19379 1 797 . 1 1 83 83 SER H H 1 8.132 0.017 . . . . . A 83 SER H . 19379 1 798 . 1 1 83 83 SER HA H 1 4.034 0.010 . . . . . A 83 SER HA . 19379 1 799 . 1 1 83 83 SER CA C 13 63.693 0.011 . . . . . A 83 SER CA . 19379 1 800 . 1 1 83 83 SER N N 15 115.749 0.079 . . . . . A 83 SER N . 19379 1 801 . 1 1 84 84 VAL H H 1 8.689 0.018 . . . . . A 84 VAL H . 19379 1 802 . 1 1 84 84 VAL HA H 1 3.558 0.013 . . . . . A 84 VAL HA . 19379 1 803 . 1 1 84 84 VAL HG11 H 1 1.056 0.016 . . . . . A 84 VAL HG11 . 19379 1 804 . 1 1 84 84 VAL HG12 H 1 1.056 0.016 . . . . . A 84 VAL HG12 . 19379 1 805 . 1 1 84 84 VAL HG13 H 1 1.056 0.016 . . . . . A 84 VAL HG13 . 19379 1 806 . 1 1 84 84 VAL CA C 13 67.677 0.078 . . . . . A 84 VAL CA . 19379 1 807 . 1 1 84 84 VAL CG1 C 13 23.488 0.010 . . . . . A 84 VAL CG1 . 19379 1 808 . 1 1 84 84 VAL N N 15 121.493 0.075 . . . . . A 84 VAL N . 19379 1 809 . 1 1 85 85 VAL H H 1 8.454 0.018 . . . . . A 85 VAL H . 19379 1 810 . 1 1 85 85 VAL HA H 1 3.441 0.010 . . . . . A 85 VAL HA . 19379 1 811 . 1 1 85 85 VAL HB H 1 2.214 0.013 . . . . . A 85 VAL HB . 19379 1 812 . 1 1 85 85 VAL HG11 H 1 1.004 0.018 . . . . . A 85 VAL HG11 . 19379 1 813 . 1 1 85 85 VAL HG12 H 1 1.004 0.018 . . . . . A 85 VAL HG12 . 19379 1 814 . 1 1 85 85 VAL HG13 H 1 1.004 0.018 . . . . . A 85 VAL HG13 . 19379 1 815 . 1 1 85 85 VAL HG21 H 1 0.872 0.010 . . . . . A 85 VAL HG21 . 19379 1 816 . 1 1 85 85 VAL HG22 H 1 0.872 0.010 . . . . . A 85 VAL HG22 . 19379 1 817 . 1 1 85 85 VAL HG23 H 1 0.872 0.010 . . . . . A 85 VAL HG23 . 19379 1 818 . 1 1 85 85 VAL C C 13 177.476 0.010 . . . . . A 85 VAL C . 19379 1 819 . 1 1 85 85 VAL CA C 13 67.544 0.060 . . . . . A 85 VAL CA . 19379 1 820 . 1 1 85 85 VAL CB C 13 31.383 0.010 . . . . . A 85 VAL CB . 19379 1 821 . 1 1 85 85 VAL CG1 C 13 23.378 0.033 . . . . . A 85 VAL CG1 . 19379 1 822 . 1 1 85 85 VAL CG2 C 13 21.606 0.020 . . . . . A 85 VAL CG2 . 19379 1 823 . 1 1 85 85 VAL N N 15 116.720 0.021 . . . . . A 85 VAL N . 19379 1 824 . 1 1 86 86 VAL H H 1 7.899 0.019 . . . . . A 86 VAL H . 19379 1 825 . 1 1 86 86 VAL HA H 1 3.358 0.017 . . . . . A 86 VAL HA . 19379 1 826 . 1 1 86 86 VAL HB H 1 2.215 0.012 . . . . . A 86 VAL HB . 19379 1 827 . 1 1 86 86 VAL HG11 H 1 1.012 0.010 . . . . . A 86 VAL HG11 . 19379 1 828 . 1 1 86 86 VAL HG12 H 1 1.012 0.010 . . . . . A 86 VAL HG12 . 19379 1 829 . 1 1 86 86 VAL HG13 H 1 1.012 0.010 . . . . . A 86 VAL HG13 . 19379 1 830 . 1 1 86 86 VAL HG21 H 1 0.913 0.013 . . . . . A 86 VAL HG21 . 19379 1 831 . 1 1 86 86 VAL HG22 H 1 0.913 0.013 . . . . . A 86 VAL HG22 . 19379 1 832 . 1 1 86 86 VAL HG23 H 1 0.913 0.013 . . . . . A 86 VAL HG23 . 19379 1 833 . 1 1 86 86 VAL C C 13 177.915 0.010 . . . . . A 86 VAL C . 19379 1 834 . 1 1 86 86 VAL CA C 13 67.618 0.055 . . . . . A 86 VAL CA . 19379 1 835 . 1 1 86 86 VAL CB C 13 31.823 0.010 . . . . . A 86 VAL CB . 19379 1 836 . 1 1 86 86 VAL CG1 C 13 23.395 0.050 . . . . . A 86 VAL CG1 . 19379 1 837 . 1 1 86 86 VAL CG2 C 13 21.708 0.082 . . . . . A 86 VAL CG2 . 19379 1 838 . 1 1 86 86 VAL N N 15 118.694 0.061 . . . . . A 86 VAL N . 19379 1 839 . 1 1 87 87 THR H H 1 7.771 0.010 . . . . . A 87 THR H . 19379 1 840 . 1 1 87 87 THR HA H 1 3.614 0.018 . . . . . A 87 THR HA . 19379 1 841 . 1 1 87 87 THR HG21 H 1 1.074 0.011 . . . . . A 87 THR HG21 . 19379 1 842 . 1 1 87 87 THR HG22 H 1 1.074 0.011 . . . . . A 87 THR HG22 . 19379 1 843 . 1 1 87 87 THR HG23 H 1 1.074 0.011 . . . . . A 87 THR HG23 . 19379 1 844 . 1 1 87 87 THR C C 13 175.144 0.010 . . . . . A 87 THR C . 19379 1 845 . 1 1 87 87 THR CA C 13 68.841 0.261 . . . . . A 87 THR CA . 19379 1 846 . 1 1 87 87 THR CG2 C 13 21.454 0.039 . . . . . A 87 THR CG2 . 19379 1 847 . 1 1 87 87 THR N N 15 115.939 0.084 . . . . . A 87 THR N . 19379 1 848 . 1 1 88 88 VAL H H 1 8.106 0.012 . . . . . A 88 VAL H . 19379 1 849 . 1 1 88 88 VAL HA H 1 3.510 0.019 . . . . . A 88 VAL HA . 19379 1 850 . 1 1 88 88 VAL HB H 1 2.133 0.012 . . . . . A 88 VAL HB . 19379 1 851 . 1 1 88 88 VAL HG11 H 1 1.010 0.015 . . . . . A 88 VAL HG11 . 19379 1 852 . 1 1 88 88 VAL HG12 H 1 1.010 0.015 . . . . . A 88 VAL HG12 . 19379 1 853 . 1 1 88 88 VAL HG13 H 1 1.010 0.015 . . . . . A 88 VAL HG13 . 19379 1 854 . 1 1 88 88 VAL HG21 H 1 0.938 0.014 . . . . . A 88 VAL HG21 . 19379 1 855 . 1 1 88 88 VAL HG22 H 1 0.938 0.014 . . . . . A 88 VAL HG22 . 19379 1 856 . 1 1 88 88 VAL HG23 H 1 0.938 0.014 . . . . . A 88 VAL HG23 . 19379 1 857 . 1 1 88 88 VAL C C 13 177.125 0.010 . . . . . A 88 VAL C . 19379 1 858 . 1 1 88 88 VAL CA C 13 67.571 0.087 . . . . . A 88 VAL CA . 19379 1 859 . 1 1 88 88 VAL CB C 13 31.587 0.010 . . . . . A 88 VAL CB . 19379 1 860 . 1 1 88 88 VAL CG1 C 13 23.537 0.028 . . . . . A 88 VAL CG1 . 19379 1 861 . 1 1 88 88 VAL CG2 C 13 22.002 0.100 . . . . . A 88 VAL CG2 . 19379 1 862 . 1 1 88 88 VAL N N 15 119.727 0.142 . . . . . A 88 VAL N . 19379 1 863 . 1 1 89 89 ILE H H 1 8.406 0.013 . . . . . A 89 ILE H . 19379 1 864 . 1 1 89 89 ILE HA H 1 3.971 0.017 . . . . . A 89 ILE HA . 19379 1 865 . 1 1 89 89 ILE HB H 1 1.917 0.014 . . . . . A 89 ILE HB . 19379 1 866 . 1 1 89 89 ILE HG13 H 1 1.300 0.017 . . . . . A 89 ILE HG13 . 19379 1 867 . 1 1 89 89 ILE HG21 H 1 0.878 0.010 . . . . . A 89 ILE HG21 . 19379 1 868 . 1 1 89 89 ILE HG22 H 1 0.878 0.010 . . . . . A 89 ILE HG22 . 19379 1 869 . 1 1 89 89 ILE HG23 H 1 0.878 0.010 . . . . . A 89 ILE HG23 . 19379 1 870 . 1 1 89 89 ILE C C 13 177.874 0.010 . . . . . A 89 ILE C . 19379 1 871 . 1 1 89 89 ILE CA C 13 64.454 0.012 . . . . . A 89 ILE CA . 19379 1 872 . 1 1 89 89 ILE CB C 13 37.881 0.010 . . . . . A 89 ILE CB . 19379 1 873 . 1 1 89 89 ILE CG1 C 13 28.321 0.010 . . . . . A 89 ILE CG1 . 19379 1 874 . 1 1 89 89 ILE CG2 C 13 17.815 0.066 . . . . . A 89 ILE CG2 . 19379 1 875 . 1 1 89 89 ILE N N 15 119.106 0.081 . . . . . A 89 ILE N . 19379 1 876 . 1 1 90 90 VAL H H 1 8.144 0.014 . . . . . A 90 VAL H . 19379 1 877 . 1 1 90 90 VAL HA H 1 3.825 0.018 . . . . . A 90 VAL HA . 19379 1 878 . 1 1 90 90 VAL HG21 H 1 0.897 0.015 . . . . . A 90 VAL HG21 . 19379 1 879 . 1 1 90 90 VAL HG22 H 1 0.897 0.015 . . . . . A 90 VAL HG22 . 19379 1 880 . 1 1 90 90 VAL HG23 H 1 0.897 0.015 . . . . . A 90 VAL HG23 . 19379 1 881 . 1 1 90 90 VAL CA C 13 64.469 0.076 . . . . . A 90 VAL CA . 19379 1 882 . 1 1 90 90 VAL CG2 C 13 21.526 0.100 . . . . . A 90 VAL CG2 . 19379 1 883 . 1 1 90 90 VAL N N 15 118.919 0.128 . . . . . A 90 VAL N . 19379 1 884 . 1 1 91 91 LEU H H 1 8.103 0.013 . . . . . A 91 LEU H . 19379 1 885 . 1 1 91 91 LEU HA H 1 4.276 0.013 . . . . . A 91 LEU HA . 19379 1 886 . 1 1 91 91 LEU HB2 H 1 1.847 0.019 . . . . . A 91 LEU HB2 . 19379 1 887 . 1 1 91 91 LEU HD11 H 1 0.826 0.018 . . . . . A 91 LEU HD11 . 19379 1 888 . 1 1 91 91 LEU HD12 H 1 0.826 0.018 . . . . . A 91 LEU HD12 . 19379 1 889 . 1 1 91 91 LEU HD13 H 1 0.826 0.018 . . . . . A 91 LEU HD13 . 19379 1 890 . 1 1 91 91 LEU CA C 13 56.450 0.014 . . . . . A 91 LEU CA . 19379 1 891 . 1 1 91 91 LEU CB C 13 42.156 0.010 . . . . . A 91 LEU CB . 19379 1 892 . 1 1 91 91 LEU CD1 C 13 24.602 0.067 . . . . . A 91 LEU CD1 . 19379 1 893 . 1 1 91 91 LEU N N 15 120.214 0.076 . . . . . A 91 LEU N . 19379 1 894 . 1 1 92 92 GLN HA H 1 4.218 0.010 . . . . . A 92 GLN HA . 19379 1 895 . 1 1 92 92 GLN HB2 H 1 2.123 0.010 . . . . . A 92 GLN HB2 . 19379 1 896 . 1 1 92 92 GLN HG2 H 1 2.340 0.010 . . . . . A 92 GLN HG2 . 19379 1 897 . 1 1 92 92 GLN HG3 H 1 2.340 0.010 . . . . . A 92 GLN HG3 . 19379 1 898 . 1 1 92 92 GLN HE21 H 1 6.577 0.013 . . . . . A 92 GLN HE21 . 19379 1 899 . 1 1 92 92 GLN HE22 H 1 7.121 0.014 . . . . . A 92 GLN HE22 . 19379 1 900 . 1 1 92 92 GLN C C 13 175.901 0.010 . . . . . A 92 GLN C . 19379 1 901 . 1 1 92 92 GLN CA C 13 57.581 0.064 . . . . . A 92 GLN CA . 19379 1 902 . 1 1 92 92 GLN CB C 13 29.610 0.010 . . . . . A 92 GLN CB . 19379 1 903 . 1 1 92 92 GLN CG C 13 34.006 0.010 . . . . . A 92 GLN CG . 19379 1 904 . 1 1 92 92 GLN NE2 N 15 109.806 0.021 . . . . . A 92 GLN NE2 . 19379 1 905 . 1 1 93 93 TYR H H 1 8.100 0.016 . . . . . A 93 TYR H . 19379 1 906 . 1 1 93 93 TYR HA H 1 4.349 0.016 . . . . . A 93 TYR HA . 19379 1 907 . 1 1 93 93 TYR HB2 H 1 2.718 0.016 . . . . . A 93 TYR HB2 . 19379 1 908 . 1 1 93 93 TYR HB3 H 1 2.806 0.017 . . . . . A 93 TYR HB3 . 19379 1 909 . 1 1 93 93 TYR HD2 H 1 6.966 0.020 . . . . . A 93 TYR HD2 . 19379 1 910 . 1 1 93 93 TYR HE2 H 1 6.700 0.013 . . . . . A 93 TYR HE2 . 19379 1 911 . 1 1 93 93 TYR C C 13 176.629 0.010 . . . . . A 93 TYR C . 19379 1 912 . 1 1 93 93 TYR CA C 13 59.972 0.017 . . . . . A 93 TYR CA . 19379 1 913 . 1 1 93 93 TYR CB C 13 39.004 0.017 . . . . . A 93 TYR CB . 19379 1 914 . 1 1 93 93 TYR CD2 C 13 133.192 0.098 . . . . . A 93 TYR CD2 . 19379 1 915 . 1 1 93 93 TYR CE2 C 13 118.131 0.054 . . . . . A 93 TYR CE2 . 19379 1 916 . 1 1 93 93 TYR N N 15 119.718 0.114 . . . . . A 93 TYR N . 19379 1 917 . 1 1 94 94 HIS H H 1 8.060 0.019 . . . . . A 94 HIS H . 19379 1 918 . 1 1 94 94 HIS HA H 1 4.572 0.015 . . . . . A 94 HIS HA . 19379 1 919 . 1 1 94 94 HIS HB2 H 1 3.135 0.010 . . . . . A 94 HIS HB2 . 19379 1 920 . 1 1 94 94 HIS HB3 H 1 3.065 0.019 . . . . . A 94 HIS HB3 . 19379 1 921 . 1 1 94 94 HIS CA C 13 56.222 0.059 . . . . . A 94 HIS CA . 19379 1 922 . 1 1 94 94 HIS CB C 13 29.778 0.014 . . . . . A 94 HIS CB . 19379 1 923 . 1 1 94 94 HIS N N 15 122.371 0.070 . . . . . A 94 HIS N . 19379 1 924 . 1 1 95 95 HIS H H 1 8.232 0.016 . . . . . A 95 HIS H . 19379 1 925 . 1 1 95 95 HIS HA H 1 4.550 0.014 . . . . . A 95 HIS HA . 19379 1 926 . 1 1 95 95 HIS HB2 H 1 3.129 0.016 . . . . . A 95 HIS HB2 . 19379 1 927 . 1 1 95 95 HIS HB3 H 1 3.069 0.011 . . . . . A 95 HIS HB3 . 19379 1 928 . 1 1 95 95 HIS CA C 13 56.096 0.040 . . . . . A 95 HIS CA . 19379 1 929 . 1 1 95 95 HIS CB C 13 29.769 0.014 . . . . . A 95 HIS CB . 19379 1 930 . 1 1 95 95 HIS N N 15 121.349 0.021 . . . . . A 95 HIS N . 19379 1 931 . 1 1 96 96 HIS HA H 1 4.558 0.013 . . . . . A 96 HIS HA . 19379 1 932 . 1 1 96 96 HIS HB2 H 1 3.131 0.015 . . . . . A 96 HIS HB2 . 19379 1 933 . 1 1 96 96 HIS HB3 H 1 3.077 0.016 . . . . . A 96 HIS HB3 . 19379 1 934 . 1 1 96 96 HIS C C 13 173.576 0.010 . . . . . A 96 HIS C . 19379 1 935 . 1 1 96 96 HIS CA C 13 55.461 0.035 . . . . . A 96 HIS CA . 19379 1 936 . 1 1 96 96 HIS CB C 13 29.778 0.014 . . . . . A 96 HIS CB . 19379 1 937 . 1 1 97 97 ASP H H 1 8.285 0.012 . . . . . A 97 ASP H . 19379 1 938 . 1 1 97 97 ASP HA H 1 4.826 0.017 . . . . . A 97 ASP HA . 19379 1 939 . 1 1 97 97 ASP HB2 H 1 2.464 0.011 . . . . . A 97 ASP HB2 . 19379 1 940 . 1 1 97 97 ASP HB3 H 1 2.701 0.010 . . . . . A 97 ASP HB3 . 19379 1 941 . 1 1 97 97 ASP CA C 13 52.867 0.177 . . . . . A 97 ASP CA . 19379 1 942 . 1 1 97 97 ASP CB C 13 41.132 0.030 . . . . . A 97 ASP CB . 19379 1 943 . 1 1 97 97 ASP N N 15 123.696 0.116 . . . . . A 97 ASP N . 19379 1 944 . 1 1 98 98 PRO HA H 1 4.370 0.016 . . . . . A 98 PRO HA . 19379 1 945 . 1 1 98 98 PRO HB3 H 1 1.952 0.016 . . . . . A 98 PRO HB3 . 19379 1 946 . 1 1 98 98 PRO HD3 H 1 3.736 0.016 . . . . . A 98 PRO HD3 . 19379 1 947 . 1 1 98 98 PRO C C 13 176.796 0.010 . . . . . A 98 PRO C . 19379 1 948 . 1 1 98 98 PRO CA C 13 64.012 0.071 . . . . . A 98 PRO CA . 19379 1 949 . 1 1 98 98 PRO CB C 13 31.823 0.010 . . . . . A 98 PRO CB . 19379 1 950 . 1 1 98 98 PRO CD C 13 50.637 0.010 . . . . . A 98 PRO CD . 19379 1 951 . 1 1 99 99 ASP H H 1 8.259 0.015 . . . . . A 99 ASP H . 19379 1 952 . 1 1 99 99 ASP HA H 1 4.601 0.012 . . . . . A 99 ASP HA . 19379 1 953 . 1 1 99 99 ASP HB2 H 1 2.683 0.018 . . . . . A 99 ASP HB2 . 19379 1 954 . 1 1 99 99 ASP C C 13 176.763 0.010 . . . . . A 99 ASP C . 19379 1 955 . 1 1 99 99 ASP CA C 13 54.341 0.027 . . . . . A 99 ASP CA . 19379 1 956 . 1 1 99 99 ASP CB C 13 41.050 0.242 . . . . . A 99 ASP CB . 19379 1 957 . 1 1 99 99 ASP N N 15 119.137 0.049 . . . . . A 99 ASP N . 19379 1 958 . 1 1 100 100 GLY H H 1 8.155 0.015 . . . . . A 100 GLY H . 19379 1 959 . 1 1 100 100 GLY HA2 H 1 3.914 0.012 . . . . . A 100 GLY HA2 . 19379 1 960 . 1 1 100 100 GLY C C 13 175.056 0.010 . . . . . A 100 GLY C . 19379 1 961 . 1 1 100 100 GLY CA C 13 45.867 0.121 . . . . . A 100 GLY CA . 19379 1 962 . 1 1 100 100 GLY N N 15 108.744 0.057 . . . . . A 100 GLY N . 19379 1 963 . 1 1 101 101 GLY H H 1 8.317 0.017 . . . . . A 101 GLY H . 19379 1 964 . 1 1 101 101 GLY HA2 H 1 3.942 0.017 . . . . . A 101 GLY HA2 . 19379 1 965 . 1 1 101 101 GLY C C 13 174.526 0.010 . . . . . A 101 GLY C . 19379 1 966 . 1 1 101 101 GLY CA C 13 45.784 0.149 . . . . . A 101 GLY CA . 19379 1 967 . 1 1 101 101 GLY N N 15 108.800 0.107 . . . . . A 101 GLY N . 19379 1 968 . 1 1 102 102 GLU H H 1 8.355 0.016 . . . . . A 102 GLU H . 19379 1 969 . 1 1 102 102 GLU HA H 1 4.295 0.012 . . . . . A 102 GLU HA . 19379 1 970 . 1 1 102 102 GLU HB2 H 1 1.938 0.019 . . . . . A 102 GLU HB2 . 19379 1 971 . 1 1 102 102 GLU HG2 H 1 2.250 0.016 . . . . . A 102 GLU HG2 . 19379 1 972 . 1 1 102 102 GLU C C 13 177.160 0.010 . . . . . A 102 GLU C . 19379 1 973 . 1 1 102 102 GLU CA C 13 56.936 0.051 . . . . . A 102 GLU CA . 19379 1 974 . 1 1 102 102 GLU CB C 13 30.003 0.010 . . . . . A 102 GLU CB . 19379 1 975 . 1 1 102 102 GLU CG C 13 36.854 0.010 . . . . . A 102 GLU CG . 19379 1 976 . 1 1 102 102 GLU N N 15 120.334 0.046 . . . . . A 102 GLU N . 19379 1 977 . 1 1 103 103 GLY H H 1 8.446 0.019 . . . . . A 103 GLY H . 19379 1 978 . 1 1 103 103 GLY HA2 H 1 3.954 0.015 . . . . . A 103 GLY HA2 . 19379 1 979 . 1 1 103 103 GLY C C 13 174.905 0.010 . . . . . A 103 GLY C . 19379 1 980 . 1 1 103 103 GLY CA C 13 45.673 0.129 . . . . . A 103 GLY CA . 19379 1 981 . 1 1 103 103 GLY N N 15 109.395 0.046 . . . . . A 103 GLY N . 19379 1 982 . 1 1 104 104 GLY H H 1 8.235 0.016 . . . . . A 104 GLY H . 19379 1 983 . 1 1 104 104 GLY HA2 H 1 3.953 0.016 . . . . . A 104 GLY HA2 . 19379 1 984 . 1 1 104 104 GLY C C 13 174.905 0.010 . . . . . A 104 GLY C . 19379 1 985 . 1 1 104 104 GLY CA C 13 45.641 0.160 . . . . . A 104 GLY CA . 19379 1 986 . 1 1 104 104 GLY N N 15 108.542 0.037 . . . . . A 104 GLY N . 19379 1 987 . 1 1 105 105 GLY H H 1 8.235 0.016 . . . . . A 105 GLY H . 19379 1 988 . 1 1 105 105 GLY HA2 H 1 3.947 0.019 . . . . . A 105 GLY HA2 . 19379 1 989 . 1 1 105 105 GLY C C 13 174.526 0.010 . . . . . A 105 GLY C . 19379 1 990 . 1 1 105 105 GLY CA C 13 45.653 0.145 . . . . . A 105 GLY CA . 19379 1 991 . 1 1 105 105 GLY N N 15 108.542 0.037 . . . . . A 105 GLY N . 19379 1 992 . 1 1 106 106 GLU H H 1 8.380 0.013 . . . . . A 106 GLU H . 19379 1 993 . 1 1 106 106 GLU HA H 1 4.251 0.014 . . . . . A 106 GLU HA . 19379 1 994 . 1 1 106 106 GLU HB2 H 1 2.038 0.017 . . . . . A 106 GLU HB2 . 19379 1 995 . 1 1 106 106 GLU HG2 H 1 2.308 0.016 . . . . . A 106 GLU HG2 . 19379 1 996 . 1 1 106 106 GLU C C 13 177.363 0.010 . . . . . A 106 GLU C . 19379 1 997 . 1 1 106 106 GLU CA C 13 57.441 0.051 . . . . . A 106 GLU CA . 19379 1 998 . 1 1 106 106 GLU CB C 13 29.610 0.010 . . . . . A 106 GLU CB . 19379 1 999 . 1 1 106 106 GLU CG C 13 36.549 0.010 . . . . . A 106 GLU CG . 19379 1 1000 . 1 1 106 106 GLU N N 15 120.310 0.046 . . . . . A 106 GLU N . 19379 1 1001 . 1 1 107 107 GLY H H 1 8.317 0.017 . . . . . A 107 GLY H . 19379 1 1002 . 1 1 107 107 GLY HA2 H 1 3.915 0.019 . . . . . A 107 GLY HA2 . 19379 1 1003 . 1 1 107 107 GLY C C 13 175.755 0.010 . . . . . A 107 GLY C . 19379 1 1004 . 1 1 107 107 GLY CA C 13 46.427 0.182 . . . . . A 107 GLY CA . 19379 1 1005 . 1 1 107 107 GLY N N 15 108.339 0.120 . . . . . A 107 GLY N . 19379 1 1006 . 1 1 108 108 ILE H H 1 8.099 0.014 . . . . . A 108 ILE H . 19379 1 1007 . 1 1 108 108 ILE HA H 1 3.949 0.015 . . . . . A 108 ILE HA . 19379 1 1008 . 1 1 108 108 ILE HB H 1 1.886 0.012 . . . . . A 108 ILE HB . 19379 1 1009 . 1 1 108 108 ILE HG21 H 1 0.831 0.016 . . . . . A 108 ILE HG21 . 19379 1 1010 . 1 1 108 108 ILE HG22 H 1 0.831 0.016 . . . . . A 108 ILE HG22 . 19379 1 1011 . 1 1 108 108 ILE HG23 H 1 0.831 0.016 . . . . . A 108 ILE HG23 . 19379 1 1012 . 1 1 108 108 ILE HD11 H 1 0.824 0.017 . . . . . A 108 ILE HD11 . 19379 1 1013 . 1 1 108 108 ILE HD12 H 1 0.824 0.017 . . . . . A 108 ILE HD12 . 19379 1 1014 . 1 1 108 108 ILE HD13 H 1 0.824 0.017 . . . . . A 108 ILE HD13 . 19379 1 1015 . 1 1 108 108 ILE C C 13 176.816 0.010 . . . . . A 108 ILE C . 19379 1 1016 . 1 1 108 108 ILE CA C 13 65.522 0.131 . . . . . A 108 ILE CA . 19379 1 1017 . 1 1 108 108 ILE CB C 13 37.484 0.010 . . . . . A 108 ILE CB . 19379 1 1018 . 1 1 108 108 ILE CG2 C 13 17.777 0.028 . . . . . A 108 ILE CG2 . 19379 1 1019 . 1 1 108 108 ILE CD1 C 13 13.384 0.013 . . . . . A 108 ILE CD1 . 19379 1 1020 . 1 1 108 108 ILE N N 15 120.595 0.020 . . . . . A 108 ILE N . 19379 1 1021 . 1 1 109 109 ASP H H 1 8.234 0.018 . . . . . A 109 ASP H . 19379 1 1022 . 1 1 109 109 ASP HA H 1 4.317 0.012 . . . . . A 109 ASP HA . 19379 1 1023 . 1 1 109 109 ASP HB2 H 1 2.598 0.014 . . . . . A 109 ASP HB2 . 19379 1 1024 . 1 1 109 109 ASP C C 13 176.972 0.010 . . . . . A 109 ASP C . 19379 1 1025 . 1 1 109 109 ASP CA C 13 57.157 0.050 . . . . . A 109 ASP CA . 19379 1 1026 . 1 1 109 109 ASP CB C 13 39.868 0.010 . . . . . A 109 ASP CB . 19379 1 1027 . 1 1 109 109 ASP N N 15 121.592 0.093 . . . . . A 109 ASP N . 19379 1 1028 . 1 1 110 110 ARG H H 1 7.788 0.017 . . . . . A 110 ARG H . 19379 1 1029 . 1 1 110 110 ARG HA H 1 4.014 0.016 . . . . . A 110 ARG HA . 19379 1 1030 . 1 1 110 110 ARG HB2 H 1 2.091 0.015 . . . . . A 110 ARG HB2 . 19379 1 1031 . 1 1 110 110 ARG HG3 H 1 1.604 0.010 . . . . . A 110 ARG HG3 . 19379 1 1032 . 1 1 110 110 ARG HD2 H 1 3.167 0.015 . . . . . A 110 ARG HD2 . 19379 1 1033 . 1 1 110 110 ARG HD3 H 1 3.167 0.015 . . . . . A 110 ARG HD3 . 19379 1 1034 . 1 1 110 110 ARG C C 13 176.625 0.010 . . . . . A 110 ARG C . 19379 1 1035 . 1 1 110 110 ARG CA C 13 59.739 0.037 . . . . . A 110 ARG CA . 19379 1 1036 . 1 1 110 110 ARG CB C 13 30.115 0.010 . . . . . A 110 ARG CB . 19379 1 1037 . 1 1 110 110 ARG CG C 13 27.190 0.106 . . . . . A 110 ARG CG . 19379 1 1038 . 1 1 110 110 ARG CD C 13 43.504 0.016 . . . . . A 110 ARG CD . 19379 1 1039 . 1 1 110 110 ARG N N 15 118.062 0.122 . . . . . A 110 ARG N . 19379 1 1040 . 1 1 111 111 LEU H H 1 7.966 0.013 . . . . . A 111 LEU H . 19379 1 1041 . 1 1 111 111 LEU HA H 1 3.941 0.015 . . . . . A 111 LEU HA . 19379 1 1042 . 1 1 111 111 LEU HB2 H 1 1.773 0.011 . . . . . A 111 LEU HB2 . 19379 1 1043 . 1 1 111 111 LEU HD11 H 1 0.898 0.012 . . . . . A 111 LEU HD11 . 19379 1 1044 . 1 1 111 111 LEU HD12 H 1 0.898 0.012 . . . . . A 111 LEU HD12 . 19379 1 1045 . 1 1 111 111 LEU HD13 H 1 0.898 0.012 . . . . . A 111 LEU HD13 . 19379 1 1046 . 1 1 111 111 LEU CA C 13 58.442 0.043 . . . . . A 111 LEU CA . 19379 1 1047 . 1 1 111 111 LEU CB C 13 41.974 0.010 . . . . . A 111 LEU CB . 19379 1 1048 . 1 1 111 111 LEU CD1 C 13 25.177 0.158 . . . . . A 111 LEU CD1 . 19379 1 1049 . 1 1 111 111 LEU N N 15 120.157 0.077 . . . . . A 111 LEU N . 19379 1 1050 . 1 1 112 112 CYS H H 1 8.405 0.015 . . . . . A 112 CYS H . 19379 1 1051 . 1 1 112 112 CYS HA H 1 4.047 0.013 . . . . . A 112 CYS HA . 19379 1 1052 . 1 1 112 112 CYS HB2 H 1 3.175 0.011 . . . . . A 112 CYS HB2 . 19379 1 1053 . 1 1 112 112 CYS HB3 H 1 2.614 0.010 . . . . . A 112 CYS HB3 . 19379 1 1054 . 1 1 112 112 CYS C C 13 177.817 0.010 . . . . . A 112 CYS C . 19379 1 1055 . 1 1 112 112 CYS CA C 13 64.614 0.030 . . . . . A 112 CYS CA . 19379 1 1056 . 1 1 112 112 CYS CB C 13 27.053 0.108 . . . . . A 112 CYS CB . 19379 1 1057 . 1 1 112 112 CYS N N 15 116.886 0.107 . . . . . A 112 CYS N . 19379 1 1058 . 1 1 113 113 LEU H H 1 8.165 0.011 . . . . . A 113 LEU H . 19379 1 1059 . 1 1 113 113 LEU HA H 1 4.059 0.015 . . . . . A 113 LEU HA . 19379 1 1060 . 1 1 113 113 LEU HB2 H 1 1.716 0.011 . . . . . A 113 LEU HB2 . 19379 1 1061 . 1 1 113 113 LEU HD11 H 1 0.881 0.010 . . . . . A 113 LEU HD11 . 19379 1 1062 . 1 1 113 113 LEU HD12 H 1 0.881 0.010 . . . . . A 113 LEU HD12 . 19379 1 1063 . 1 1 113 113 LEU HD13 H 1 0.881 0.010 . . . . . A 113 LEU HD13 . 19379 1 1064 . 1 1 113 113 LEU C C 13 179.889 0.010 . . . . . A 113 LEU C . 19379 1 1065 . 1 1 113 113 LEU CA C 13 58.510 0.056 . . . . . A 113 LEU CA . 19379 1 1066 . 1 1 113 113 LEU CB C 13 41.909 0.010 . . . . . A 113 LEU CB . 19379 1 1067 . 1 1 113 113 LEU CD1 C 13 25.164 0.105 . . . . . A 113 LEU CD1 . 19379 1 1068 . 1 1 113 113 LEU N N 15 119.564 0.126 . . . . . A 113 LEU N . 19379 1 1069 . 1 1 114 114 MET H H 1 8.487 0.017 . . . . . A 114 MET H . 19379 1 1070 . 1 1 114 114 MET HA H 1 4.058 0.017 . . . . . A 114 MET HA . 19379 1 1071 . 1 1 114 114 MET HB2 H 1 1.929 0.013 . . . . . A 114 MET HB2 . 19379 1 1072 . 1 1 114 114 MET HG2 H 1 2.765 0.016 . . . . . A 114 MET HG2 . 19379 1 1073 . 1 1 114 114 MET C C 13 178.998 0.010 . . . . . A 114 MET C . 19379 1 1074 . 1 1 114 114 MET CA C 13 59.512 0.063 . . . . . A 114 MET CA . 19379 1 1075 . 1 1 114 114 MET CB C 13 31.952 0.010 . . . . . A 114 MET CB . 19379 1 1076 . 1 1 114 114 MET CG C 13 33.424 0.010 . . . . . A 114 MET CG . 19379 1 1077 . 1 1 114 114 MET N N 15 120.780 0.024 . . . . . A 114 MET N . 19379 1 1078 . 1 1 115 115 ALA H H 1 8.650 0.010 . . . . . A 115 ALA H . 19379 1 1079 . 1 1 115 115 ALA HA H 1 3.991 0.028 . . . . . A 115 ALA HA . 19379 1 1080 . 1 1 115 115 ALA HB1 H 1 1.411 0.014 . . . . . A 115 ALA HB1 . 19379 1 1081 . 1 1 115 115 ALA HB2 H 1 1.411 0.014 . . . . . A 115 ALA HB2 . 19379 1 1082 . 1 1 115 115 ALA HB3 H 1 1.411 0.014 . . . . . A 115 ALA HB3 . 19379 1 1083 . 1 1 115 115 ALA C C 13 177.967 0.010 . . . . . A 115 ALA C . 19379 1 1084 . 1 1 115 115 ALA CA C 13 55.595 0.094 . . . . . A 115 ALA CA . 19379 1 1085 . 1 1 115 115 ALA CB C 13 18.239 0.090 . . . . . A 115 ALA CB . 19379 1 1086 . 1 1 115 115 ALA N N 15 121.292 0.080 . . . . . A 115 ALA N . 19379 1 1087 . 1 1 116 116 PHE H H 1 8.643 0.016 . . . . . A 116 PHE H . 19379 1 1088 . 1 1 116 116 PHE HA H 1 4.160 0.011 . . . . . A 116 PHE HA . 19379 1 1089 . 1 1 116 116 PHE HB2 H 1 3.150 0.013 . . . . . A 116 PHE HB2 . 19379 1 1090 . 1 1 116 116 PHE HD2 H 1 7.226 0.012 . . . . . A 116 PHE HD2 . 19379 1 1091 . 1 1 116 116 PHE HE2 H 1 7.170 0.025 . . . . . A 116 PHE HE2 . 19379 1 1092 . 1 1 116 116 PHE C C 13 178.156 0.010 . . . . . A 116 PHE C . 19379 1 1093 . 1 1 116 116 PHE CA C 13 61.427 0.011 . . . . . A 116 PHE CA . 19379 1 1094 . 1 1 116 116 PHE CB C 13 38.386 0.010 . . . . . A 116 PHE CB . 19379 1 1095 . 1 1 116 116 PHE CD2 C 13 131.239 0.136 . . . . . A 116 PHE CD2 . 19379 1 1096 . 1 1 116 116 PHE CE2 C 13 130.442 0.010 . . . . . A 116 PHE CE2 . 19379 1 1097 . 1 1 116 116 PHE N N 15 116.448 0.075 . . . . . A 116 PHE N . 19379 1 1098 . 1 1 117 117 SER H H 1 7.820 0.013 . . . . . A 117 SER H . 19379 1 1099 . 1 1 117 117 SER HA H 1 4.106 0.010 . . . . . A 117 SER HA . 19379 1 1100 . 1 1 117 117 SER HB2 H 1 3.943 0.010 . . . . . A 117 SER HB2 . 19379 1 1101 . 1 1 117 117 SER HB3 H 1 3.943 0.010 . . . . . A 117 SER HB3 . 19379 1 1102 . 1 1 117 117 SER C C 13 176.592 0.010 . . . . . A 117 SER C . 19379 1 1103 . 1 1 117 117 SER CA C 13 63.216 0.186 . . . . . A 117 SER CA . 19379 1 1104 . 1 1 117 117 SER N N 15 117.735 0.069 . . . . . A 117 SER N . 19379 1 1105 . 1 1 118 118 VAL H H 1 8.564 0.015 . . . . . A 118 VAL H . 19379 1 1106 . 1 1 118 118 VAL HA H 1 3.589 0.022 . . . . . A 118 VAL HA . 19379 1 1107 . 1 1 118 118 VAL HB H 1 2.228 0.017 . . . . . A 118 VAL HB . 19379 1 1108 . 1 1 118 118 VAL HG11 H 1 0.974 0.018 . . . . . A 118 VAL HG11 . 19379 1 1109 . 1 1 118 118 VAL HG12 H 1 0.974 0.018 . . . . . A 118 VAL HG12 . 19379 1 1110 . 1 1 118 118 VAL HG13 H 1 0.974 0.018 . . . . . A 118 VAL HG13 . 19379 1 1111 . 1 1 118 118 VAL HG21 H 1 0.875 0.010 . . . . . A 118 VAL HG21 . 19379 1 1112 . 1 1 118 118 VAL HG22 H 1 0.875 0.010 . . . . . A 118 VAL HG22 . 19379 1 1113 . 1 1 118 118 VAL HG23 H 1 0.875 0.010 . . . . . A 118 VAL HG23 . 19379 1 1114 . 1 1 118 118 VAL C C 13 178.998 0.010 . . . . . A 118 VAL C . 19379 1 1115 . 1 1 118 118 VAL CA C 13 67.572 0.012 . . . . . A 118 VAL CA . 19379 1 1116 . 1 1 118 118 VAL CB C 13 31.791 0.010 . . . . . A 118 VAL CB . 19379 1 1117 . 1 1 118 118 VAL CG1 C 13 23.341 0.014 . . . . . A 118 VAL CG1 . 19379 1 1118 . 1 1 118 118 VAL CG2 C 13 21.719 0.093 . . . . . A 118 VAL CG2 . 19379 1 1119 . 1 1 118 118 VAL N N 15 123.351 0.175 . . . . . A 118 VAL N . 19379 1 1120 . 1 1 119 119 PHE H H 1 8.683 0.013 . . . . . A 119 PHE H . 19379 1 1121 . 1 1 119 119 PHE HA H 1 4.031 0.019 . . . . . A 119 PHE HA . 19379 1 1122 . 1 1 119 119 PHE HB2 H 1 3.205 0.015 . . . . . A 119 PHE HB2 . 19379 1 1123 . 1 1 119 119 PHE HD2 H 1 7.161 0.017 . . . . . A 119 PHE HD2 . 19379 1 1124 . 1 1 119 119 PHE HE2 H 1 7.127 0.010 . . . . . A 119 PHE HE2 . 19379 1 1125 . 1 1 119 119 PHE CA C 13 61.672 0.054 . . . . . A 119 PHE CA . 19379 1 1126 . 1 1 119 119 PHE CB C 13 38.397 0.010 . . . . . A 119 PHE CB . 19379 1 1127 . 1 1 119 119 PHE CD2 C 13 131.354 0.010 . . . . . A 119 PHE CD2 . 19379 1 1128 . 1 1 119 119 PHE CE2 C 13 130.661 0.132 . . . . . A 119 PHE CE2 . 19379 1 1129 . 1 1 119 119 PHE N N 15 121.439 0.117 . . . . . A 119 PHE N . 19379 1 1130 . 1 1 120 120 THR HA H 1 3.727 0.010 . . . . . A 120 THR HA . 19379 1 1131 . 1 1 120 120 THR HG21 H 1 1.116 0.014 . . . . . A 120 THR HG21 . 19379 1 1132 . 1 1 120 120 THR HG22 H 1 1.116 0.014 . . . . . A 120 THR HG22 . 19379 1 1133 . 1 1 120 120 THR HG23 H 1 1.116 0.014 . . . . . A 120 THR HG23 . 19379 1 1134 . 1 1 120 120 THR C C 13 176.743 0.010 . . . . . A 120 THR C . 19379 1 1135 . 1 1 120 120 THR CA C 13 68.301 0.010 . . . . . A 120 THR CA . 19379 1 1136 . 1 1 120 120 THR CG2 C 13 21.958 0.109 . . . . . A 120 THR CG2 . 19379 1 1137 . 1 1 121 121 ILE H H 1 8.021 0.017 . . . . . A 121 ILE H . 19379 1 1138 . 1 1 121 121 ILE HA H 1 3.587 0.011 . . . . . A 121 ILE HA . 19379 1 1139 . 1 1 121 121 ILE HB H 1 1.874 0.017 . . . . . A 121 ILE HB . 19379 1 1140 . 1 1 121 121 ILE HG21 H 1 0.848 0.010 . . . . . A 121 ILE HG21 . 19379 1 1141 . 1 1 121 121 ILE HG22 H 1 0.848 0.010 . . . . . A 121 ILE HG22 . 19379 1 1142 . 1 1 121 121 ILE HG23 H 1 0.848 0.010 . . . . . A 121 ILE HG23 . 19379 1 1143 . 1 1 121 121 ILE C C 13 176.625 0.010 . . . . . A 121 ILE C . 19379 1 1144 . 1 1 121 121 ILE CA C 13 65.501 0.018 . . . . . A 121 ILE CA . 19379 1 1145 . 1 1 121 121 ILE CB C 13 37.452 0.010 . . . . . A 121 ILE CB . 19379 1 1146 . 1 1 121 121 ILE CG2 C 13 17.773 0.010 . . . . . A 121 ILE CG2 . 19379 1 1147 . 1 1 121 121 ILE N N 15 118.724 0.010 . . . . . A 121 ILE N . 19379 1 1148 . 1 1 122 122 ILE H H 1 7.894 0.010 . . . . . A 122 ILE H . 19379 1 1149 . 1 1 122 122 ILE HA H 1 3.620 0.013 . . . . . A 122 ILE HA . 19379 1 1150 . 1 1 122 122 ILE HB H 1 1.814 0.018 . . . . . A 122 ILE HB . 19379 1 1151 . 1 1 122 122 ILE HG13 H 1 1.290 0.018 . . . . . A 122 ILE HG13 . 19379 1 1152 . 1 1 122 122 ILE HG21 H 1 0.837 0.014 . . . . . A 122 ILE HG21 . 19379 1 1153 . 1 1 122 122 ILE HG22 H 1 0.837 0.014 . . . . . A 122 ILE HG22 . 19379 1 1154 . 1 1 122 122 ILE HG23 H 1 0.837 0.014 . . . . . A 122 ILE HG23 . 19379 1 1155 . 1 1 122 122 ILE HD11 H 1 0.768 0.015 . . . . . A 122 ILE HD11 . 19379 1 1156 . 1 1 122 122 ILE HD12 H 1 0.768 0.015 . . . . . A 122 ILE HD12 . 19379 1 1157 . 1 1 122 122 ILE HD13 H 1 0.768 0.015 . . . . . A 122 ILE HD13 . 19379 1 1158 . 1 1 122 122 ILE C C 13 177.540 0.010 . . . . . A 122 ILE C . 19379 1 1159 . 1 1 122 122 ILE CA C 13 65.522 0.012 . . . . . A 122 ILE CA . 19379 1 1160 . 1 1 122 122 ILE CB C 13 37.441 0.010 . . . . . A 122 ILE CB . 19379 1 1161 . 1 1 122 122 ILE CG1 C 13 28.257 0.010 . . . . . A 122 ILE CG1 . 19379 1 1162 . 1 1 122 122 ILE CG2 C 13 17.802 0.046 . . . . . A 122 ILE CG2 . 19379 1 1163 . 1 1 122 122 ILE CD1 C 13 13.448 0.061 . . . . . A 122 ILE CD1 . 19379 1 1164 . 1 1 122 122 ILE N N 15 119.435 0.128 . . . . . A 122 ILE N . 19379 1 1165 . 1 1 123 123 CYS H H 1 8.206 0.016 . . . . . A 123 CYS H . 19379 1 1166 . 1 1 123 123 CYS HA H 1 3.885 0.018 . . . . . A 123 CYS HA . 19379 1 1167 . 1 1 123 123 CYS HB2 H 1 2.593 0.012 . . . . . A 123 CYS HB2 . 19379 1 1168 . 1 1 123 123 CYS C C 13 177.425 0.010 . . . . . A 123 CYS C . 19379 1 1169 . 1 1 123 123 CYS CA C 13 64.121 0.075 . . . . . A 123 CYS CA . 19379 1 1170 . 1 1 123 123 CYS CB C 13 26.940 0.010 . . . . . A 123 CYS CB . 19379 1 1171 . 1 1 123 123 CYS N N 15 116.809 0.085 . . . . . A 123 CYS N . 19379 1 1172 . 1 1 124 124 THR H H 1 7.901 0.010 . . . . . A 124 THR H . 19379 1 1173 . 1 1 124 124 THR HA H 1 3.710 0.010 . . . . . A 124 THR HA . 19379 1 1174 . 1 1 124 124 THR HB H 1 4.199 0.010 . . . . . A 124 THR HB . 19379 1 1175 . 1 1 124 124 THR HG21 H 1 1.063 0.019 . . . . . A 124 THR HG21 . 19379 1 1176 . 1 1 124 124 THR HG22 H 1 1.063 0.019 . . . . . A 124 THR HG22 . 19379 1 1177 . 1 1 124 124 THR HG23 H 1 1.063 0.019 . . . . . A 124 THR HG23 . 19379 1 1178 . 1 1 124 124 THR CA C 13 68.236 0.050 . . . . . A 124 THR CA . 19379 1 1179 . 1 1 124 124 THR CG2 C 13 21.459 0.176 . . . . . A 124 THR CG2 . 19379 1 1180 . 1 1 124 124 THR N N 15 115.712 0.139 . . . . . A 124 THR N . 19379 1 1181 . 1 1 125 125 ILE H H 1 7.939 0.018 . . . . . A 125 ILE H . 19379 1 1182 . 1 1 125 125 ILE HA H 1 3.717 0.023 . . . . . A 125 ILE HA . 19379 1 1183 . 1 1 125 125 ILE HB H 1 1.941 0.017 . . . . . A 125 ILE HB . 19379 1 1184 . 1 1 125 125 ILE HG21 H 1 0.870 0.016 . . . . . A 125 ILE HG21 . 19379 1 1185 . 1 1 125 125 ILE HG22 H 1 0.870 0.016 . . . . . A 125 ILE HG22 . 19379 1 1186 . 1 1 125 125 ILE HG23 H 1 0.870 0.016 . . . . . A 125 ILE HG23 . 19379 1 1187 . 1 1 125 125 ILE HD11 H 1 0.790 0.012 . . . . . A 125 ILE HD11 . 19379 1 1188 . 1 1 125 125 ILE HD12 H 1 0.790 0.012 . . . . . A 125 ILE HD12 . 19379 1 1189 . 1 1 125 125 ILE HD13 H 1 0.790 0.012 . . . . . A 125 ILE HD13 . 19379 1 1190 . 1 1 125 125 ILE CA C 13 65.759 0.121 . . . . . A 125 ILE CA . 19379 1 1191 . 1 1 125 125 ILE CB C 13 37.623 0.010 . . . . . A 125 ILE CB . 19379 1 1192 . 1 1 125 125 ILE CG2 C 13 17.874 0.017 . . . . . A 125 ILE CG2 . 19379 1 1193 . 1 1 125 125 ILE CD1 C 13 13.453 0.066 . . . . . A 125 ILE CD1 . 19379 1 1194 . 1 1 125 125 ILE N N 15 118.755 0.089 . . . . . A 125 ILE N . 19379 1 1195 . 1 1 126 126 GLY H H 1 8.383 0.019 . . . . . A 126 GLY H . 19379 1 1196 . 1 1 126 126 GLY HA2 H 1 3.615 0.012 . . . . . A 126 GLY HA2 . 19379 1 1197 . 1 1 126 126 GLY C C 13 175.794 0.010 . . . . . A 126 GLY C . 19379 1 1198 . 1 1 126 126 GLY CA C 13 46.427 0.182 . . . . . A 126 GLY CA . 19379 1 1199 . 1 1 126 126 GLY N N 15 105.948 0.128 . . . . . A 126 GLY N . 19379 1 1200 . 1 1 127 127 ILE H H 1 8.095 0.017 . . . . . A 127 ILE H . 19379 1 1201 . 1 1 127 127 ILE HA H 1 3.959 0.014 . . . . . A 127 ILE HA . 19379 1 1202 . 1 1 127 127 ILE HB H 1 1.970 0.018 . . . . . A 127 ILE HB . 19379 1 1203 . 1 1 127 127 ILE HG13 H 1 1.226 0.010 . . . . . A 127 ILE HG13 . 19379 1 1204 . 1 1 127 127 ILE HG21 H 1 0.877 0.019 . . . . . A 127 ILE HG21 . 19379 1 1205 . 1 1 127 127 ILE HG22 H 1 0.877 0.019 . . . . . A 127 ILE HG22 . 19379 1 1206 . 1 1 127 127 ILE HG23 H 1 0.877 0.019 . . . . . A 127 ILE HG23 . 19379 1 1207 . 1 1 127 127 ILE HD11 H 1 0.810 0.014 . . . . . A 127 ILE HD11 . 19379 1 1208 . 1 1 127 127 ILE HD12 H 1 0.810 0.014 . . . . . A 127 ILE HD12 . 19379 1 1209 . 1 1 127 127 ILE HD13 H 1 0.810 0.014 . . . . . A 127 ILE HD13 . 19379 1 1210 . 1 1 127 127 ILE C C 13 177.090 0.010 . . . . . A 127 ILE C . 19379 1 1211 . 1 1 127 127 ILE CA C 13 63.120 0.046 . . . . . A 127 ILE CA . 19379 1 1212 . 1 1 127 127 ILE CB C 13 37.742 0.010 . . . . . A 127 ILE CB . 19379 1 1213 . 1 1 127 127 ILE CG2 C 13 17.997 0.236 . . . . . A 127 ILE CG2 . 19379 1 1214 . 1 1 127 127 ILE CD1 C 13 13.427 0.028 . . . . . A 127 ILE CD1 . 19379 1 1215 . 1 1 127 127 ILE N N 15 120.859 0.063 . . . . . A 127 ILE N . 19379 1 1216 . 1 1 128 128 LEU H H 1 8.373 0.016 . . . . . A 128 LEU H . 19379 1 1217 . 1 1 128 128 LEU HA H 1 4.118 0.017 . . . . . A 128 LEU HA . 19379 1 1218 . 1 1 128 128 LEU HB2 H 1 1.781 0.014 . . . . . A 128 LEU HB2 . 19379 1 1219 . 1 1 128 128 LEU HD11 H 1 0.891 0.025 . . . . . A 128 LEU HD11 . 19379 1 1220 . 1 1 128 128 LEU HD12 H 1 0.891 0.025 . . . . . A 128 LEU HD12 . 19379 1 1221 . 1 1 128 128 LEU HD13 H 1 0.891 0.025 . . . . . A 128 LEU HD13 . 19379 1 1222 . 1 1 128 128 LEU C C 13 178.269 0.010 . . . . . A 128 LEU C . 19379 1 1223 . 1 1 128 128 LEU CA C 13 57.521 0.045 . . . . . A 128 LEU CA . 19379 1 1224 . 1 1 128 128 LEU CB C 13 42.130 0.010 . . . . . A 128 LEU CB . 19379 1 1225 . 1 1 128 128 LEU CD1 C 13 25.112 0.094 . . . . . A 128 LEU CD1 . 19379 1 1226 . 1 1 128 128 LEU N N 15 122.601 0.142 . . . . . A 128 LEU N . 19379 1 1227 . 1 1 129 129 MET H H 1 7.992 0.011 . . . . . A 129 MET H . 19379 1 1228 . 1 1 129 129 MET HA H 1 4.117 0.012 . . . . . A 129 MET HA . 19379 1 1229 . 1 1 129 129 MET HB2 H 1 2.049 0.017 . . . . . A 129 MET HB2 . 19379 1 1230 . 1 1 129 129 MET HG2 H 1 2.547 0.013 . . . . . A 129 MET HG2 . 19379 1 1231 . 1 1 129 129 MET HG3 H 1 2.416 0.010 . . . . . A 129 MET HG3 . 19379 1 1232 . 1 1 129 129 MET HE1 H 1 1.972 0.017 . . . . . A 129 MET HE1 . 19379 1 1233 . 1 1 129 129 MET HE2 H 1 1.972 0.017 . . . . . A 129 MET HE2 . 19379 1 1234 . 1 1 129 129 MET HE3 H 1 1.972 0.017 . . . . . A 129 MET HE3 . 19379 1 1235 . 1 1 129 129 MET C C 13 176.393 0.010 . . . . . A 129 MET C . 19379 1 1236 . 1 1 129 129 MET CA C 13 57.183 0.112 . . . . . A 129 MET CA . 19379 1 1237 . 1 1 129 129 MET CG C 13 33.041 0.285 . . . . . A 129 MET CG . 19379 1 1238 . 1 1 129 129 MET CE C 13 17.395 0.010 . . . . . A 129 MET CE . 19379 1 1239 . 1 1 129 129 MET N N 15 116.856 0.054 . . . . . A 129 MET N . 19379 1 1240 . 1 1 130 130 SER H H 1 7.511 0.017 . . . . . A 130 SER H . 19379 1 1241 . 1 1 130 130 SER HA H 1 4.407 0.011 . . . . . A 130 SER HA . 19379 1 1242 . 1 1 130 130 SER HB2 H 1 3.855 0.018 . . . . . A 130 SER HB2 . 19379 1 1243 . 1 1 130 130 SER C C 13 173.598 0.010 . . . . . A 130 SER C . 19379 1 1244 . 1 1 130 130 SER CA C 13 59.453 0.065 . . . . . A 130 SER CA . 19379 1 1245 . 1 1 130 130 SER CB C 13 63.992 0.010 . . . . . A 130 SER CB . 19379 1 1246 . 1 1 130 130 SER N N 15 112.314 0.076 . . . . . A 130 SER N . 19379 1 1247 . 1 1 131 131 ALA H H 1 7.704 0.016 . . . . . A 131 ALA H . 19379 1 1248 . 1 1 131 131 ALA HA H 1 4.471 0.010 . . . . . A 131 ALA HA . 19379 1 1249 . 1 1 131 131 ALA HB1 H 1 1.319 0.017 . . . . . A 131 ALA HB1 . 19379 1 1250 . 1 1 131 131 ALA HB2 H 1 1.319 0.017 . . . . . A 131 ALA HB2 . 19379 1 1251 . 1 1 131 131 ALA HB3 H 1 1.319 0.017 . . . . . A 131 ALA HB3 . 19379 1 1252 . 1 1 131 131 ALA CA C 13 51.231 0.105 . . . . . A 131 ALA CA . 19379 1 1253 . 1 1 131 131 ALA CB C 13 18.419 0.014 . . . . . A 131 ALA CB . 19379 1 1254 . 1 1 131 131 ALA N N 15 124.666 0.066 . . . . . A 131 ALA N . 19379 1 1255 . 1 1 132 132 PRO HA H 1 4.401 0.020 . . . . . A 132 PRO HA . 19379 1 1256 . 1 1 132 132 PRO HB3 H 1 1.857 0.011 . . . . . A 132 PRO HB3 . 19379 1 1257 . 1 1 132 132 PRO HD3 H 1 3.686 0.014 . . . . . A 132 PRO HD3 . 19379 1 1258 . 1 1 132 132 PRO C C 13 176.530 0.010 . . . . . A 132 PRO C . 19379 1 1259 . 1 1 132 132 PRO CA C 13 64.164 0.070 . . . . . A 132 PRO CA . 19379 1 1260 . 1 1 132 132 PRO CB C 13 31.192 0.010 . . . . . A 132 PRO CB . 19379 1 1261 . 1 1 132 132 PRO CD C 13 50.599 0.010 . . . . . A 132 PRO CD . 19379 1 1262 . 1 1 133 133 ASN H H 1 8.180 0.018 . . . . . A 133 ASN H . 19379 1 1263 . 1 1 133 133 ASN HA H 1 4.534 0.012 . . . . . A 133 ASN HA . 19379 1 1264 . 1 1 133 133 ASN HB2 H 1 2.685 0.016 . . . . . A 133 ASN HB2 . 19379 1 1265 . 1 1 133 133 ASN HB3 H 1 2.753 0.012 . . . . . A 133 ASN HB3 . 19379 1 1266 . 1 1 133 133 ASN HD21 H 1 6.807 0.015 . . . . . A 133 ASN HD21 . 19379 1 1267 . 1 1 133 133 ASN HD22 H 1 7.476 0.017 . . . . . A 133 ASN HD22 . 19379 1 1268 . 1 1 133 133 ASN C C 13 175.456 0.010 . . . . . A 133 ASN C . 19379 1 1269 . 1 1 133 133 ASN CA C 13 54.058 0.025 . . . . . A 133 ASN CA . 19379 1 1270 . 1 1 133 133 ASN CB C 13 38.435 0.011 . . . . . A 133 ASN CB . 19379 1 1271 . 1 1 133 133 ASN N N 15 114.774 0.047 . . . . . A 133 ASN N . 19379 1 1272 . 1 1 133 133 ASN ND2 N 15 112.190 0.043 . . . . . A 133 ASN ND2 . 19379 1 1273 . 1 1 134 134 PHE H H 1 7.953 0.017 . . . . . A 134 PHE H . 19379 1 1274 . 1 1 134 134 PHE HA H 1 4.538 0.019 . . . . . A 134 PHE HA . 19379 1 1275 . 1 1 134 134 PHE HB2 H 1 3.128 0.014 . . . . . A 134 PHE HB2 . 19379 1 1276 . 1 1 134 134 PHE HD1 H 1 7.192 0.015 . . . . . A 134 PHE HD1 . 19379 1 1277 . 1 1 134 134 PHE C C 13 175.080 0.010 . . . . . A 134 PHE C . 19379 1 1278 . 1 1 134 134 PHE CA C 13 58.653 0.016 . . . . . A 134 PHE CA . 19379 1 1279 . 1 1 134 134 PHE CB C 13 39.594 0.010 . . . . . A 134 PHE CB . 19379 1 1280 . 1 1 134 134 PHE CD1 C 13 131.432 0.078 . . . . . A 134 PHE CD1 . 19379 1 1281 . 1 1 134 134 PHE N N 15 118.679 0.091 . . . . . A 134 PHE N . 19379 1 1282 . 1 1 135 135 VAL H H 1 7.556 0.016 . . . . . A 135 VAL H . 19379 1 1283 . 1 1 135 135 VAL HA H 1 4.063 0.016 . . . . . A 135 VAL HA . 19379 1 1284 . 1 1 135 135 VAL HB H 1 2.099 0.014 . . . . . A 135 VAL HB . 19379 1 1285 . 1 1 135 135 VAL HG11 H 1 0.861 0.015 . . . . . A 135 VAL HG11 . 19379 1 1286 . 1 1 135 135 VAL HG12 H 1 0.861 0.015 . . . . . A 135 VAL HG12 . 19379 1 1287 . 1 1 135 135 VAL HG13 H 1 0.861 0.015 . . . . . A 135 VAL HG13 . 19379 1 1288 . 1 1 135 135 VAL HG21 H 1 0.850 0.015 . . . . . A 135 VAL HG21 . 19379 1 1289 . 1 1 135 135 VAL HG22 H 1 0.850 0.015 . . . . . A 135 VAL HG22 . 19379 1 1290 . 1 1 135 135 VAL HG23 H 1 0.850 0.015 . . . . . A 135 VAL HG23 . 19379 1 1291 . 1 1 135 135 VAL C C 13 174.837 0.010 . . . . . A 135 VAL C . 19379 1 1292 . 1 1 135 135 VAL CA C 13 62.330 0.028 . . . . . A 135 VAL CA . 19379 1 1293 . 1 1 135 135 VAL CB C 13 32.947 0.010 . . . . . A 135 VAL CB . 19379 1 1294 . 1 1 135 135 VAL CG1 C 13 21.743 0.101 . . . . . A 135 VAL CG1 . 19379 1 1295 . 1 1 135 135 VAL CG2 C 13 20.955 0.084 . . . . . A 135 VAL CG2 . 19379 1 1296 . 1 1 135 135 VAL N N 15 115.300 0.054 . . . . . A 135 VAL N . 19379 1 1297 . 1 1 136 136 GLU H H 1 7.851 0.016 . . . . . A 136 GLU H . 19379 1 1298 . 1 1 136 136 GLU HA H 1 4.281 0.016 . . . . . A 136 GLU HA . 19379 1 1299 . 1 1 136 136 GLU HB2 H 1 1.921 0.013 . . . . . A 136 GLU HB2 . 19379 1 1300 . 1 1 136 136 GLU HG2 H 1 2.218 0.010 . . . . . A 136 GLU HG2 . 19379 1 1301 . 1 1 136 136 GLU C C 13 174.971 0.010 . . . . . A 136 GLU C . 19379 1 1302 . 1 1 136 136 GLU CA C 13 56.302 0.045 . . . . . A 136 GLU CA . 19379 1 1303 . 1 1 136 136 GLU CB C 13 29.836 0.010 . . . . . A 136 GLU CB . 19379 1 1304 . 1 1 136 136 GLU CG C 13 36.855 0.010 . . . . . A 136 GLU CG . 19379 1 1305 . 1 1 136 136 GLU N N 15 121.084 0.082 . . . . . A 136 GLU N . 19379 1 1306 . 1 1 137 137 GLU H H 1 7.679 0.015 . . . . . A 137 GLU H . 19379 1 1307 . 1 1 137 137 GLU HA H 1 4.083 0.013 . . . . . A 137 GLU HA . 19379 1 1308 . 1 1 137 137 GLU HB2 H 1 1.898 0.020 . . . . . A 137 GLU HB2 . 19379 1 1309 . 1 1 137 137 GLU HG2 H 1 2.226 0.019 . . . . . A 137 GLU HG2 . 19379 1 1310 . 1 1 137 137 GLU CA C 13 57.784 0.078 . . . . . A 137 GLU CA . 19379 1 1311 . 1 1 137 137 GLU CB C 13 29.681 0.010 . . . . . A 137 GLU CB . 19379 1 1312 . 1 1 137 137 GLU CG C 13 36.854 0.010 . . . . . A 137 GLU CG . 19379 1 1313 . 1 1 137 137 GLU N N 15 124.929 0.080 . . . . . A 137 GLU N . 19379 1 stop_ save_