data_52972 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52972 _Entry.Title ; 1H/15N/13C chemical shift assignments of ephrin A1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-17 _Entry.Accession_date 2025-03-17 _Entry.Last_release_date 2025-03-17 _Entry.Original_release_date 2025-03-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H/15N/13C chemical shift assignments of ephrin A1 protein in the major state' _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.ORCID _Entry_author.Entry_ID 1 Konstantin Mineev . S. . 0000-0002-2418-9421 52972 2 Santosh Gande . L. . . 52972 3 Verena Linhard . . . 0000-0002-0278-9792 52972 4 Harald Schwalbe . . . 0000-0001-5693-7909 52972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 52972 '15N chemical shifts' 110 52972 '1H chemical shifts' 714 52972 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-09-26 . original BMRB . 52972 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52972 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40998111 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural role of conformational heterogeneity and juxtamembrane regions in the Ephrin A1 interactions with the EphA2 receptor ligand-binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 2025 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Konstantin Mineev K. S. . . 52972 1 2 Santosh Gande S. L. . . 52972 1 3 Annika Wenzel A. . . . 52972 1 4 Verena Linhard V. . . . 52972 1 5 'Halle Andrews' Clark H. A. . . 52972 1 6 Kerstin Witt K. . . . 52972 1 7 Sabine Koster S. . . . 52972 1 8 Marta Segarra M. . . . 52972 1 9 Melanie McDowell M. A. . . 52972 1 10 Amparo Acker-Palmer A. . . . 52972 1 11 Harald Schwalbe H. . . . 52972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52972 _Assembly.ID 1 _Assembly.Name EFNA1s _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 EFNA1s 1 $entity_1 . . yes native yes yes . . . 52972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHHHHHHHASENLYFQGAM AAADRHTVFWNSSNPKFRNE DYTIHVQLNDYVDIICPHYE DHSVADAAMEQYILYLVEHE EYQLCQPQSKDQVRWQCNRP SAKHGPEKLSEKFQRFTPFT LGKEFKEGHSYYYISKPIHQ HEDRCLRLKVTVSGKITH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'first residue is -4' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP P20827 . EFNA1_HUMAN . . . . . . . . . . . . . . 52972 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ligand of Eph receptors' 52972 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52972 1 2 . SER . 52972 1 3 . HIS . 52972 1 4 . HIS . 52972 1 5 . HIS . 52972 1 6 . HIS . 52972 1 7 . HIS . 52972 1 8 . HIS . 52972 1 9 . HIS . 52972 1 10 . ALA . 52972 1 11 . SER . 52972 1 12 . GLU . 52972 1 13 . ASN . 52972 1 14 . LEU . 52972 1 15 . TYR . 52972 1 16 . PHE . 52972 1 17 . GLN . 52972 1 18 . GLY . 52972 1 19 . ALA . 52972 1 20 . MET . 52972 1 21 . ALA . 52972 1 22 . ALA . 52972 1 23 . ALA . 52972 1 24 . ASP . 52972 1 25 . ARG . 52972 1 26 . HIS . 52972 1 27 . THR . 52972 1 28 . VAL . 52972 1 29 . PHE . 52972 1 30 . TRP . 52972 1 31 . ASN . 52972 1 32 . SER . 52972 1 33 . SER . 52972 1 34 . ASN . 52972 1 35 . PRO . 52972 1 36 . LYS . 52972 1 37 . PHE . 52972 1 38 . ARG . 52972 1 39 . ASN . 52972 1 40 . GLU . 52972 1 41 . ASP . 52972 1 42 . TYR . 52972 1 43 . THR . 52972 1 44 . ILE . 52972 1 45 . HIS . 52972 1 46 . VAL . 52972 1 47 . GLN . 52972 1 48 . LEU . 52972 1 49 . ASN . 52972 1 50 . ASP . 52972 1 51 . TYR . 52972 1 52 . VAL . 52972 1 53 . ASP . 52972 1 54 . ILE . 52972 1 55 . ILE . 52972 1 56 . CYS . 52972 1 57 . PRO . 52972 1 58 . HIS . 52972 1 59 . TYR . 52972 1 60 . GLU . 52972 1 61 . ASP . 52972 1 62 . HIS . 52972 1 63 . SER . 52972 1 64 . VAL . 52972 1 65 . ALA . 52972 1 66 . ASP . 52972 1 67 . ALA . 52972 1 68 . ALA . 52972 1 69 . MET . 52972 1 70 . GLU . 52972 1 71 . GLN . 52972 1 72 . TYR . 52972 1 73 . ILE . 52972 1 74 . LEU . 52972 1 75 . TYR . 52972 1 76 . LEU . 52972 1 77 . VAL . 52972 1 78 . GLU . 52972 1 79 . HIS . 52972 1 80 . GLU . 52972 1 81 . GLU . 52972 1 82 . TYR . 52972 1 83 . GLN . 52972 1 84 . LEU . 52972 1 85 . CYS . 52972 1 86 . GLN . 52972 1 87 . PRO . 52972 1 88 . GLN . 52972 1 89 . SER . 52972 1 90 . LYS . 52972 1 91 . ASP . 52972 1 92 . GLN . 52972 1 93 . VAL . 52972 1 94 . ARG . 52972 1 95 . TRP . 52972 1 96 . GLN . 52972 1 97 . CYS . 52972 1 98 . ASN . 52972 1 99 . ARG . 52972 1 100 . PRO . 52972 1 101 . SER . 52972 1 102 . ALA . 52972 1 103 . LYS . 52972 1 104 . HIS . 52972 1 105 . GLY . 52972 1 106 . PRO . 52972 1 107 . GLU . 52972 1 108 . LYS . 52972 1 109 . LEU . 52972 1 110 . SER . 52972 1 111 . GLU . 52972 1 112 . LYS . 52972 1 113 . PHE . 52972 1 114 . GLN . 52972 1 115 . ARG . 52972 1 116 . PHE . 52972 1 117 . THR . 52972 1 118 . PRO . 52972 1 119 . PHE . 52972 1 120 . THR . 52972 1 121 . LEU . 52972 1 122 . GLY . 52972 1 123 . LYS . 52972 1 124 . GLU . 52972 1 125 . PHE . 52972 1 126 . LYS . 52972 1 127 . GLU . 52972 1 128 . GLY . 52972 1 129 . HIS . 52972 1 130 . SER . 52972 1 131 . TYR . 52972 1 132 . TYR . 52972 1 133 . TYR . 52972 1 134 . ILE . 52972 1 135 . SER . 52972 1 136 . LYS . 52972 1 137 . PRO . 52972 1 138 . ILE . 52972 1 139 . HIS . 52972 1 140 . GLN . 52972 1 141 . HIS . 52972 1 142 . GLU . 52972 1 143 . ASP . 52972 1 144 . ARG . 52972 1 145 . CYS . 52972 1 146 . LEU . 52972 1 147 . ARG . 52972 1 148 . LEU . 52972 1 149 . LYS . 52972 1 150 . VAL . 52972 1 151 . THR . 52972 1 152 . VAL . 52972 1 153 . SER . 52972 1 154 . GLY . 52972 1 155 . LYS . 52972 1 156 . ILE . 52972 1 157 . THR . 52972 1 158 . HIS . 52972 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52972 1 . SER 2 2 52972 1 . HIS 3 3 52972 1 . HIS 4 4 52972 1 . HIS 5 5 52972 1 . HIS 6 6 52972 1 . HIS 7 7 52972 1 . HIS 8 8 52972 1 . HIS 9 9 52972 1 . ALA 10 10 52972 1 . SER 11 11 52972 1 . GLU 12 12 52972 1 . ASN 13 13 52972 1 . LEU 14 14 52972 1 . TYR 15 15 52972 1 . PHE 16 16 52972 1 . GLN 17 17 52972 1 . GLY 18 18 52972 1 . ALA 19 19 52972 1 . MET 20 20 52972 1 . ALA 21 21 52972 1 . ALA 22 22 52972 1 . ALA 23 23 52972 1 . ASP 24 24 52972 1 . ARG 25 25 52972 1 . HIS 26 26 52972 1 . THR 27 27 52972 1 . VAL 28 28 52972 1 . PHE 29 29 52972 1 . TRP 30 30 52972 1 . ASN 31 31 52972 1 . SER 32 32 52972 1 . SER 33 33 52972 1 . ASN 34 34 52972 1 . PRO 35 35 52972 1 . LYS 36 36 52972 1 . PHE 37 37 52972 1 . ARG 38 38 52972 1 . ASN 39 39 52972 1 . GLU 40 40 52972 1 . ASP 41 41 52972 1 . TYR 42 42 52972 1 . THR 43 43 52972 1 . ILE 44 44 52972 1 . HIS 45 45 52972 1 . VAL 46 46 52972 1 . GLN 47 47 52972 1 . LEU 48 48 52972 1 . ASN 49 49 52972 1 . ASP 50 50 52972 1 . TYR 51 51 52972 1 . VAL 52 52 52972 1 . ASP 53 53 52972 1 . ILE 54 54 52972 1 . ILE 55 55 52972 1 . CYS 56 56 52972 1 . PRO 57 57 52972 1 . HIS 58 58 52972 1 . TYR 59 59 52972 1 . GLU 60 60 52972 1 . ASP 61 61 52972 1 . HIS 62 62 52972 1 . SER 63 63 52972 1 . VAL 64 64 52972 1 . ALA 65 65 52972 1 . ASP 66 66 52972 1 . ALA 67 67 52972 1 . ALA 68 68 52972 1 . MET 69 69 52972 1 . GLU 70 70 52972 1 . GLN 71 71 52972 1 . TYR 72 72 52972 1 . ILE 73 73 52972 1 . LEU 74 74 52972 1 . TYR 75 75 52972 1 . LEU 76 76 52972 1 . VAL 77 77 52972 1 . GLU 78 78 52972 1 . HIS 79 79 52972 1 . GLU 80 80 52972 1 . GLU 81 81 52972 1 . TYR 82 82 52972 1 . GLN 83 83 52972 1 . LEU 84 84 52972 1 . CYS 85 85 52972 1 . GLN 86 86 52972 1 . PRO 87 87 52972 1 . GLN 88 88 52972 1 . SER 89 89 52972 1 . LYS 90 90 52972 1 . ASP 91 91 52972 1 . GLN 92 92 52972 1 . VAL 93 93 52972 1 . ARG 94 94 52972 1 . TRP 95 95 52972 1 . GLN 96 96 52972 1 . CYS 97 97 52972 1 . ASN 98 98 52972 1 . ARG 99 99 52972 1 . PRO 100 100 52972 1 . SER 101 101 52972 1 . ALA 102 102 52972 1 . LYS 103 103 52972 1 . HIS 104 104 52972 1 . GLY 105 105 52972 1 . PRO 106 106 52972 1 . GLU 107 107 52972 1 . LYS 108 108 52972 1 . LEU 109 109 52972 1 . SER 110 110 52972 1 . GLU 111 111 52972 1 . LYS 112 112 52972 1 . PHE 113 113 52972 1 . GLN 114 114 52972 1 . ARG 115 115 52972 1 . PHE 116 116 52972 1 . THR 117 117 52972 1 . PRO 118 118 52972 1 . PHE 119 119 52972 1 . THR 120 120 52972 1 . LEU 121 121 52972 1 . GLY 122 122 52972 1 . LYS 123 123 52972 1 . GLU 124 124 52972 1 . PHE 125 125 52972 1 . LYS 126 126 52972 1 . GLU 127 127 52972 1 . GLY 128 128 52972 1 . HIS 129 129 52972 1 . SER 130 130 52972 1 . TYR 131 131 52972 1 . TYR 132 132 52972 1 . TYR 133 133 52972 1 . ILE 134 134 52972 1 . SER 135 135 52972 1 . LYS 136 136 52972 1 . PRO 137 137 52972 1 . ILE 138 138 52972 1 . HIS 139 139 52972 1 . GLN 140 140 52972 1 . HIS 141 141 52972 1 . GLU 142 142 52972 1 . ASP 143 143 52972 1 . ARG 144 144 52972 1 . CYS 145 145 52972 1 . LEU 146 146 52972 1 . ARG 147 147 52972 1 . LEU 148 148 52972 1 . LYS 149 149 52972 1 . VAL 150 150 52972 1 . THR 151 151 52972 1 . VAL 152 152 52972 1 . SER 153 153 52972 1 . GLY 154 154 52972 1 . LYS 155 155 52972 1 . ILE 156 156 52972 1 . THR 157 157 52972 1 . HIS 158 158 52972 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52972 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52972 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52972 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETTev . . . 52972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52972 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 13C/15N _Sample.Aggregate_sample_number 1 _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 EFNA1s '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 52972 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 52972 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 52972 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 52972 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions1 _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' 70 . mM 52972 1 pH 8.0 . pH 52972 1 pressure 1 . atm 52972 1 temperature 293 . K 52972 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52972 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52972 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52972 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52972 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name av600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52972 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 3 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 4 '3D HCCH-TOCSY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 5 '3D 15N-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 6 '3D 13C-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52972 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52972 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref1 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52972 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52972 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list1 _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 $chem_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 '3D HNCO' . . . 52972 1 2 '3D HNCA' . . . 52972 1 3 '3D HN(CO)CA' . . . 52972 1 5 '3D 15N-separated NOESY' . . . 52972 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52972 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 HIS HA H 1 3.815 0.020 . 1 . . . . . 4 HIS HA . 52972 1 2 . 1 . 1 4 4 HIS HB2 H 1 2.896 0.020 . 2 . . . . . 4 HIS HB2 . 52972 1 3 . 1 . 1 4 4 HIS HB3 H 1 2.102 0.020 . 2 . . . . . 4 HIS HB3 . 52972 1 4 . 1 . 1 4 4 HIS C C 13 177.042 0.3 . 1 . . . . . 4 HIS C . 52972 1 5 . 1 . 1 4 4 HIS CA C 13 54.530 0.3 . 1 . . . . . 4 HIS CA . 52972 1 6 . 1 . 1 4 4 HIS CB C 13 31.212 0.3 . 1 . . . . . 4 HIS CB . 52972 1 7 . 1 . 1 5 5 HIS H H 1 8.056 0.020 . 1 . . . . . 5 HIS H . 52972 1 8 . 1 . 1 5 5 HIS HA H 1 4.206 0.020 . 1 . . . . . 5 HIS HA . 52972 1 9 . 1 . 1 5 5 HIS HB2 H 1 2.865 0.020 . 2 . . . . . 5 HIS HB2 . 52972 1 10 . 1 . 1 5 5 HIS HB3 H 1 2.790 0.020 . 2 . . . . . 5 HIS HB3 . 52972 1 11 . 1 . 1 5 5 HIS CA C 13 55.665 0.3 . 1 . . . . . 5 HIS CA . 52972 1 12 . 1 . 1 5 5 HIS CB C 13 31.096 0.3 . 1 . . . . . 5 HIS CB . 52972 1 13 . 1 . 1 5 5 HIS N N 15 119.952 0.3 . 1 . . . . . 5 HIS N . 52972 1 14 . 1 . 1 13 13 ASN HA H 1 4.611 0.020 . 1 . . . . . 13 ASN HA . 52972 1 15 . 1 . 1 13 13 ASN HB2 H 1 2.774 0.020 . 2 . . . . . 13 ASN HB2 . 52972 1 16 . 1 . 1 13 13 ASN HB3 H 1 2.682 0.020 . 2 . . . . . 13 ASN HB3 . 52972 1 17 . 1 . 1 13 13 ASN C C 13 175.410 0.3 . 1 . . . . . 13 ASN C . 52972 1 18 . 1 . 1 13 13 ASN CA C 13 53.661 0.3 . 1 . . . . . 13 ASN CA . 52972 1 19 . 1 . 1 13 13 ASN CB C 13 38.578 0.3 . 1 . . . . . 13 ASN CB . 52972 1 20 . 1 . 1 14 14 LEU H H 1 8.055 0.020 . 1 . . . . . 14 LEU H . 52972 1 21 . 1 . 1 14 14 LEU HA H 1 4.176 0.020 . 1 . . . . . 14 LEU HA . 52972 1 22 . 1 . 1 14 14 LEU HB2 H 1 1.466 0.020 . 2 . . . . . 14 LEU HB2 . 52972 1 23 . 1 . 1 14 14 LEU HB3 H 1 1.334 0.020 . 2 . . . . . 14 LEU HB3 . 52972 1 24 . 1 . 1 14 14 LEU HG H 1 1.475 0.020 . 1 . . . . . 14 LEU HG . 52972 1 25 . 1 . 1 14 14 LEU HD11 H 1 0.840 0.020 . 2 . . . . . 14 LEU HD1 . 52972 1 26 . 1 . 1 14 14 LEU HD12 H 1 0.840 0.020 . 2 . . . . . 14 LEU HD1 . 52972 1 27 . 1 . 1 14 14 LEU HD13 H 1 0.840 0.020 . 2 . . . . . 14 LEU HD1 . 52972 1 28 . 1 . 1 14 14 LEU HD21 H 1 0.771 0.020 . 2 . . . . . 14 LEU HD2 . 52972 1 29 . 1 . 1 14 14 LEU HD22 H 1 0.771 0.020 . 2 . . . . . 14 LEU HD2 . 52972 1 30 . 1 . 1 14 14 LEU HD23 H 1 0.771 0.020 . 2 . . . . . 14 LEU HD2 . 52972 1 31 . 1 . 1 14 14 LEU C C 13 177.276 0.3 . 1 . . . . . 14 LEU C . 52972 1 32 . 1 . 1 14 14 LEU CA C 13 55.732 0.3 . 1 . . . . . 14 LEU CA . 52972 1 33 . 1 . 1 14 14 LEU CB C 13 42.141 0.3 . 1 . . . . . 14 LEU CB . 52972 1 34 . 1 . 1 14 14 LEU CG C 13 26.852 0.3 . 1 . . . . . 14 LEU CG . 52972 1 35 . 1 . 1 14 14 LEU CD1 C 13 24.819 0.3 . 1 . . . . . 14 LEU CD1 . 52972 1 36 . 1 . 1 14 14 LEU CD2 C 13 23.323 0.3 . 1 . . . . . 14 LEU CD2 . 52972 1 37 . 1 . 1 14 14 LEU N N 15 121.680 0.3 . 1 . . . . . 14 LEU N . 52972 1 38 . 1 . 1 15 15 TYR H H 1 8.014 0.020 . 1 . . . . . 15 TYR H . 52972 1 39 . 1 . 1 15 15 TYR HA H 1 4.417 0.020 . 1 . . . . . 15 TYR HA . 52972 1 40 . 1 . 1 15 15 TYR HB2 H 1 2.899 0.020 . 2 . . . . . 15 TYR HB2 . 52972 1 41 . 1 . 1 15 15 TYR HB3 H 1 2.807 0.020 . 2 . . . . . 15 TYR HB3 . 52972 1 42 . 1 . 1 15 15 TYR HD1 H 1 6.879 0.020 . 1 . . . . . 15 TYR HD1 . 52972 1 43 . 1 . 1 15 15 TYR HD2 H 1 6.879 0.020 . 1 . . . . . 15 TYR HD2 . 52972 1 44 . 1 . 1 15 15 TYR CA C 13 58.248 0.3 . 1 . . . . . 15 TYR CA . 52972 1 45 . 1 . 1 15 15 TYR CB C 13 38.521 0.3 . 1 . . . . . 15 TYR CB . 52972 1 46 . 1 . 1 15 15 TYR N N 15 119.367 0.3 . 1 . . . . . 15 TYR N . 52972 1 47 . 1 . 1 16 16 PHE H H 1 7.967 0.020 . 1 . . . . . 16 PHE H . 52972 1 48 . 1 . 1 16 16 PHE HA H 1 3.621 0.020 . 1 . . . . . 16 PHE HA . 52972 1 49 . 1 . 1 16 16 PHE HB2 H 1 2.580 0.020 . 2 . . . . . 16 PHE HB2 . 52972 1 50 . 1 . 1 16 16 PHE HB3 H 1 2.333 0.020 . 2 . . . . . 16 PHE HB3 . 52972 1 51 . 1 . 1 16 16 PHE C C 13 175.139 0.3 . 1 . . . . . 16 PHE C . 52972 1 52 . 1 . 1 16 16 PHE CA C 13 57.906 0.3 . 1 . . . . . 16 PHE CA . 52972 1 53 . 1 . 1 16 16 PHE CB C 13 36.038 0.3 . 1 . . . . . 16 PHE CB . 52972 1 54 . 1 . 1 16 16 PHE N N 15 120.537 0.3 . 1 . . . . . 16 PHE N . 52972 1 55 . 1 . 1 17 17 GLN H H 1 7.498 0.020 . 1 . . . . . 17 GLN H . 52972 1 56 . 1 . 1 17 17 GLN HA H 1 4.666 0.020 . 1 . . . . . 17 GLN HA . 52972 1 57 . 1 . 1 17 17 GLN HB2 H 1 1.748 0.020 . 1 . . . . . 17 GLN HB2 . 52972 1 58 . 1 . 1 17 17 GLN HB3 H 1 1.748 0.020 . 1 . . . . . 17 GLN HB3 . 52972 1 59 . 1 . 1 17 17 GLN HG2 H 1 2.316 0.020 . 2 . . . . . 17 GLN HG2 . 52972 1 60 . 1 . 1 17 17 GLN HG3 H 1 2.256 0.020 . 1 . . . . . 17 GLN HG3 . 52972 1 61 . 1 . 1 17 17 GLN HE21 H 1 7.175 0.020 . 1 . . . . . 17 GLN HE21 . 52972 1 62 . 1 . 1 17 17 GLN HE22 H 1 6.584 0.020 . 1 . . . . . 17 GLN HE22 . 52972 1 63 . 1 . 1 17 17 GLN CA C 13 53.642 0.3 . 1 . . . . . 17 GLN CA . 52972 1 64 . 1 . 1 17 17 GLN CB C 13 31.156 0.3 . 1 . . . . . 17 GLN CB . 52972 1 65 . 1 . 1 17 17 GLN CG C 13 32.320 0.3 . 1 . . . . . 17 GLN CG . 52972 1 66 . 1 . 1 17 17 GLN N N 15 119.994 0.3 . 1 . . . . . 17 GLN N . 52972 1 67 . 1 . 1 17 17 GLN NE2 N 15 109.387 0.3 . 1 . . . . . 17 GLN NE2 . 52972 1 68 . 1 . 1 19 19 ALA CA C 13 52.561 0.3 . 1 . . . . . 19 ALA CA . 52972 1 69 . 1 . 1 20 20 MET H H 1 8.282 0.020 . 1 . . . . . 20 MET H . 52972 1 70 . 1 . 1 20 20 MET HA H 1 4.409 0.020 . 1 . . . . . 20 MET HA . 52972 1 71 . 1 . 1 20 20 MET HB2 H 1 2.047 0.020 . 2 . . . . . 20 MET HB2 . 52972 1 72 . 1 . 1 20 20 MET HB3 H 1 1.948 0.020 . 2 . . . . . 20 MET HB3 . 52972 1 73 . 1 . 1 20 20 MET HG2 H 1 2.544 0.020 . 2 . . . . . 20 MET HG2 . 52972 1 74 . 1 . 1 20 20 MET HG3 H 1 2.477 0.020 . 2 . . . . . 20 MET HG3 . 52972 1 75 . 1 . 1 20 20 MET C C 13 175.861 0.3 . 1 . . . . . 20 MET C . 52972 1 76 . 1 . 1 20 20 MET CA C 13 55.308 0.3 . 1 . . . . . 20 MET CA . 52972 1 77 . 1 . 1 20 20 MET CB C 13 32.930 0.3 . 1 . . . . . 20 MET CB . 52972 1 78 . 1 . 1 20 20 MET CG C 13 32.000 0.3 . 1 . . . . . 20 MET CG . 52972 1 79 . 1 . 1 20 20 MET N N 15 118.951 0.3 . 1 . . . . . 20 MET N . 52972 1 80 . 1 . 1 21 21 ALA H H 1 8.205 0.020 . 1 . . . . . 21 ALA H . 52972 1 81 . 1 . 1 21 21 ALA HA H 1 4.273 0.020 . 1 . . . . . 21 ALA HA . 52972 1 82 . 1 . 1 21 21 ALA HB1 H 1 1.331 0.020 . 1 . . . . . 21 ALA HB . 52972 1 83 . 1 . 1 21 21 ALA HB2 H 1 1.331 0.020 . 1 . . . . . 21 ALA HB . 52972 1 84 . 1 . 1 21 21 ALA HB3 H 1 1.331 0.020 . 1 . . . . . 21 ALA HB . 52972 1 85 . 1 . 1 21 21 ALA C C 13 177.072 0.3 . 1 . . . . . 21 ALA C . 52972 1 86 . 1 . 1 21 21 ALA CA C 13 52.261 0.3 . 1 . . . . . 21 ALA CA . 52972 1 87 . 1 . 1 21 21 ALA CB C 13 19.212 0.3 . 1 . . . . . 21 ALA CB . 52972 1 88 . 1 . 1 21 21 ALA N N 15 125.126 0.3 . 1 . . . . . 21 ALA N . 52972 1 89 . 1 . 1 22 22 ALA H H 1 8.276 0.020 . 1 . . . . . 22 ALA H . 52972 1 90 . 1 . 1 22 22 ALA HA H 1 4.249 0.020 . 1 . . . . . 22 ALA HA . 52972 1 91 . 1 . 1 22 22 ALA HB1 H 1 1.359 0.020 . 1 . . . . . 22 ALA HB . 52972 1 92 . 1 . 1 22 22 ALA HB2 H 1 1.359 0.020 . 1 . . . . . 22 ALA HB . 52972 1 93 . 1 . 1 22 22 ALA HB3 H 1 1.359 0.020 . 1 . . . . . 22 ALA HB . 52972 1 94 . 1 . 1 22 22 ALA CA C 13 51.987 0.3 . 1 . . . . . 22 ALA CA . 52972 1 95 . 1 . 1 22 22 ALA N N 15 123.755 0.3 . 1 . . . . . 22 ALA N . 52972 1 96 . 1 . 1 23 23 ALA HA H 1 4.282 0.020 . 1 . . . . . 23 ALA HA . 52972 1 97 . 1 . 1 23 23 ALA HB1 H 1 1.457 0.020 . 1 . . . . . 23 ALA HB . 52972 1 98 . 1 . 1 23 23 ALA HB2 H 1 1.457 0.020 . 1 . . . . . 23 ALA HB . 52972 1 99 . 1 . 1 23 23 ALA HB3 H 1 1.457 0.020 . 1 . . . . . 23 ALA HB . 52972 1 100 . 1 . 1 23 23 ALA C C 13 177.095 0.3 . 1 . . . . . 23 ALA C . 52972 1 101 . 1 . 1 23 23 ALA CA C 13 52.872 0.3 . 1 . . . . . 23 ALA CA . 52972 1 102 . 1 . 1 23 23 ALA CB C 13 19.638 0.3 . 1 . . . . . 23 ALA CB . 52972 1 103 . 1 . 1 24 24 ASP H H 1 8.315 0.020 . 1 . . . . . 24 ASP H . 52972 1 104 . 1 . 1 24 24 ASP HA H 1 4.595 0.020 . 1 . . . . . 24 ASP HA . 52972 1 105 . 1 . 1 24 24 ASP HB2 H 1 2.916 0.020 . 2 . . . . . 24 ASP HB2 . 52972 1 106 . 1 . 1 24 24 ASP HB3 H 1 2.415 0.020 . 2 . . . . . 24 ASP HB3 . 52972 1 107 . 1 . 1 24 24 ASP C C 13 174.424 0.3 . 1 . . . . . 24 ASP C . 52972 1 108 . 1 . 1 24 24 ASP CA C 13 53.249 0.3 . 1 . . . . . 24 ASP CA . 52972 1 109 . 1 . 1 24 24 ASP CB C 13 41.381 0.3 . 1 . . . . . 24 ASP CB . 52972 1 110 . 1 . 1 24 24 ASP N N 15 118.021 0.3 . 1 . . . . . 24 ASP N . 52972 1 111 . 1 . 1 25 25 ARG H H 1 7.544 0.020 . 1 . . . . . 25 ARG H . 52972 1 112 . 1 . 1 25 25 ARG HA H 1 5.192 0.020 . 1 . . . . . 25 ARG HA . 52972 1 113 . 1 . 1 25 25 ARG HB2 H 1 1.533 0.020 . 2 . . . . . 25 ARG HB2 . 52972 1 114 . 1 . 1 25 25 ARG HB3 H 1 1.533 0.020 . 1 . . . . . 25 ARG HB3 . 52972 1 115 . 1 . 1 25 25 ARG HG2 H 1 1.525 0.020 . 1 . . . . . 25 ARG HG2 . 52972 1 116 . 1 . 1 25 25 ARG HG3 H 1 1.121 0.020 . 2 . . . . . 25 ARG HG3 . 52972 1 117 . 1 . 1 25 25 ARG HD2 H 1 3.126 0.020 . 2 . . . . . 25 ARG HD2 . 52972 1 118 . 1 . 1 25 25 ARG HD3 H 1 2.761 0.020 . 2 . . . . . 25 ARG HD3 . 52972 1 119 . 1 . 1 25 25 ARG C C 13 175.116 0.3 . 1 . . . . . 25 ARG C . 52972 1 120 . 1 . 1 25 25 ARG CA C 13 54.451 0.3 . 1 . . . . . 25 ARG CA . 52972 1 121 . 1 . 1 25 25 ARG CB C 13 32.632 0.3 . 1 . . . . . 25 ARG CB . 52972 1 122 . 1 . 1 25 25 ARG CG C 13 28.248 0.3 . 1 . . . . . 25 ARG CG . 52972 1 123 . 1 . 1 25 25 ARG CD C 13 42.704 0.3 . 1 . . . . . 25 ARG CD . 52972 1 124 . 1 . 1 25 25 ARG N N 15 116.053 0.3 . 1 . . . . . 25 ARG N . 52972 1 125 . 1 . 1 26 26 HIS H H 1 8.588 0.020 . 1 . . . . . 26 HIS H . 52972 1 126 . 1 . 1 26 26 HIS HA H 1 4.679 0.020 . 1 . . . . . 26 HIS HA . 52972 1 127 . 1 . 1 26 26 HIS HB2 H 1 2.908 0.020 . 1 . . . . . 26 HIS HB2 . 52972 1 128 . 1 . 1 26 26 HIS HB3 H 1 2.908 0.020 . 1 . . . . . 26 HIS HB3 . 52972 1 129 . 1 . 1 26 26 HIS C C 13 174.665 0.3 . 1 . . . . . 26 HIS C . 52972 1 130 . 1 . 1 26 26 HIS CA C 13 54.888 0.3 . 1 . . . . . 26 HIS CA . 52972 1 131 . 1 . 1 26 26 HIS CB C 13 32.936 0.3 . 1 . . . . . 26 HIS CB . 52972 1 132 . 1 . 1 26 26 HIS N N 15 125.572 0.3 . 1 . . . . . 26 HIS N . 52972 1 133 . 1 . 1 27 27 THR H H 1 8.750 0.020 . 1 . . . . . 27 THR H . 52972 1 134 . 1 . 1 27 27 THR HA H 1 4.846 0.020 . 1 . . . . . 27 THR HA . 52972 1 135 . 1 . 1 27 27 THR HB H 1 3.764 0.020 . 1 . . . . . 27 THR HB . 52972 1 136 . 1 . 1 27 27 THR HG21 H 1 0.646 0.020 . 1 . . . . . 27 THR HG2 . 52972 1 137 . 1 . 1 27 27 THR HG22 H 1 0.646 0.020 . 1 . . . . . 27 THR HG2 . 52972 1 138 . 1 . 1 27 27 THR HG23 H 1 0.646 0.020 . 1 . . . . . 27 THR HG2 . 52972 1 139 . 1 . 1 27 27 THR C C 13 173.972 0.3 . 1 . . . . . 27 THR C . 52972 1 140 . 1 . 1 27 27 THR CA C 13 63.005 0.3 . 1 . . . . . 27 THR CA . 52972 1 141 . 1 . 1 27 27 THR CB C 13 69.871 0.3 . 1 . . . . . 27 THR CB . 52972 1 142 . 1 . 1 27 27 THR CG2 C 13 22.756 0.3 . 1 . . . . . 27 THR CG2 . 52972 1 143 . 1 . 1 27 27 THR N N 15 120.101 0.3 . 1 . . . . . 27 THR N . 52972 1 144 . 1 . 1 28 28 VAL H H 1 9.174 0.020 . 1 . . . . . 28 VAL H . 52972 1 145 . 1 . 1 28 28 VAL HA H 1 4.361 0.020 . 1 . . . . . 28 VAL HA . 52972 1 146 . 1 . 1 28 28 VAL HB H 1 1.954 0.020 . 1 . . . . . 28 VAL HB . 52972 1 147 . 1 . 1 28 28 VAL HG11 H 1 1.027 0.020 . 2 . . . . . 28 VAL HG1 . 52972 1 148 . 1 . 1 28 28 VAL HG12 H 1 1.027 0.020 . 2 . . . . . 28 VAL HG1 . 52972 1 149 . 1 . 1 28 28 VAL HG13 H 1 1.027 0.020 . 2 . . . . . 28 VAL HG1 . 52972 1 150 . 1 . 1 28 28 VAL HG21 H 1 0.673 0.020 . 2 . . . . . 28 VAL HG2 . 52972 1 151 . 1 . 1 28 28 VAL HG22 H 1 0.673 0.020 . 2 . . . . . 28 VAL HG2 . 52972 1 152 . 1 . 1 28 28 VAL HG23 H 1 0.673 0.020 . 2 . . . . . 28 VAL HG2 . 52972 1 153 . 1 . 1 28 28 VAL C C 13 174.236 0.3 . 1 . . . . . 28 VAL C . 52972 1 154 . 1 . 1 28 28 VAL CA C 13 60.477 0.3 . 1 . . . . . 28 VAL CA . 52972 1 155 . 1 . 1 28 28 VAL CB C 13 35.329 0.3 . 1 . . . . . 28 VAL CB . 52972 1 156 . 1 . 1 28 28 VAL CG1 C 13 21.002 0.3 . 1 . . . . . 28 VAL CG1 . 52972 1 157 . 1 . 1 28 28 VAL CG2 C 13 20.309 0.3 . 1 . . . . . 28 VAL CG2 . 52972 1 158 . 1 . 1 28 28 VAL N N 15 129.045 0.3 . 1 . . . . . 28 VAL N . 52972 1 159 . 1 . 1 29 29 PHE H H 1 8.524 0.020 . 1 . . . . . 29 PHE H . 52972 1 160 . 1 . 1 29 29 PHE HA H 1 4.662 0.020 . 1 . . . . . 29 PHE HA . 52972 1 161 . 1 . 1 29 29 PHE HB2 H 1 3.092 0.020 . 2 . . . . . 29 PHE HB2 . 52972 1 162 . 1 . 1 29 29 PHE HB3 H 1 2.956 0.020 . 2 . . . . . 29 PHE HB3 . 52972 1 163 . 1 . 1 29 29 PHE HD1 H 1 7.210 0.020 . 1 . . . . . 29 PHE HD1 . 52972 1 164 . 1 . 1 29 29 PHE HD2 H 1 7.210 0.020 . 1 . . . . . 29 PHE HD2 . 52972 1 165 . 1 . 1 29 29 PHE C C 13 174.665 0.3 . 1 . . . . . 29 PHE C . 52972 1 166 . 1 . 1 29 29 PHE CA C 13 58.005 0.3 . 1 . . . . . 29 PHE CA . 52972 1 167 . 1 . 1 29 29 PHE CB C 13 38.414 0.3 . 1 . . . . . 29 PHE CB . 52972 1 168 . 1 . 1 29 29 PHE N N 15 126.864 0.3 . 1 . . . . . 29 PHE N . 52972 1 169 . 1 . 1 30 30 TRP H H 1 8.733 0.020 . 1 . . . . . 30 TRP H . 52972 1 170 . 1 . 1 30 30 TRP HA H 1 4.205 0.020 . 1 . . . . . 30 TRP HA . 52972 1 171 . 1 . 1 30 30 TRP HB2 H 1 3.595 0.020 . 2 . . . . . 30 TRP HB2 . 52972 1 172 . 1 . 1 30 30 TRP HB3 H 1 2.624 0.020 . 2 . . . . . 30 TRP HB3 . 52972 1 173 . 1 . 1 30 30 TRP HD1 H 1 5.919 0.020 . 1 . . . . . 30 TRP HD1 . 52972 1 174 . 1 . 1 30 30 TRP HE1 H 1 8.972 0.020 . 1 . . . . . 30 TRP HE1 . 52972 1 175 . 1 . 1 30 30 TRP C C 13 181.467 0.3 . 1 . . . . . 30 TRP C . 52972 1 176 . 1 . 1 30 30 TRP CA C 13 57.780 0.3 . 1 . . . . . 30 TRP CA . 52972 1 177 . 1 . 1 30 30 TRP CB C 13 26.631 0.3 . 1 . . . . . 30 TRP CB . 52972 1 178 . 1 . 1 30 30 TRP N N 15 131.642 0.3 . 1 . . . . . 30 TRP N . 52972 1 179 . 1 . 1 30 30 TRP NE1 N 15 126.774 0.3 . 1 . . . . . 30 TRP NE1 . 52972 1 180 . 1 . 1 31 31 ASN H H 1 7.281 0.020 . 1 . . . . . 31 ASN H . 52972 1 181 . 1 . 1 31 31 ASN HA H 1 4.971 0.020 . 1 . . . . . 31 ASN HA . 52972 1 182 . 1 . 1 31 31 ASN HB2 H 1 3.020 0.020 . 1 . . . . . 31 ASN HB2 . 52972 1 183 . 1 . 1 31 31 ASN HB3 H 1 3.020 0.020 . 1 . . . . . 31 ASN HB3 . 52972 1 184 . 1 . 1 31 31 ASN HD21 H 1 8.185 0.020 . 1 . . . . . 31 ASN HD21 . 52972 1 185 . 1 . 1 31 31 ASN HD22 H 1 7.114 0.020 . 1 . . . . . 31 ASN HD22 . 52972 1 186 . 1 . 1 31 31 ASN C C 13 174.942 0.3 . 1 . . . . . 31 ASN C . 52972 1 187 . 1 . 1 31 31 ASN CA C 13 52.839 0.3 . 1 . . . . . 31 ASN CA . 52972 1 188 . 1 . 1 31 31 ASN CB C 13 41.457 0.3 . 1 . . . . . 31 ASN CB . 52972 1 189 . 1 . 1 31 31 ASN N N 15 116.135 0.3 . 1 . . . . . 31 ASN N . 52972 1 190 . 1 . 1 31 31 ASN ND2 N 15 116.477 0.3 . 1 . . . . . 31 ASN ND2 . 52972 1 191 . 1 . 1 32 32 SER H H 1 10.298 0.020 . 1 . . . . . 32 SER H . 52972 1 192 . 1 . 1 32 32 SER HA H 1 3.963 0.020 . 1 . . . . . 32 SER HA . 52972 1 193 . 1 . 1 32 32 SER HB2 H 1 4.062 0.020 . 1 . . . . . 32 SER HB2 . 52972 1 194 . 1 . 1 32 32 SER HB3 H 1 4.062 0.020 . 1 . . . . . 32 SER HB3 . 52972 1 195 . 1 . 1 32 32 SER C C 13 175.590 0.3 . 1 . . . . . 32 SER C . 52972 1 196 . 1 . 1 32 32 SER CA C 13 61.227 0.3 . 1 . . . . . 32 SER CA . 52972 1 197 . 1 . 1 32 32 SER CB C 13 63.339 0.3 . 1 . . . . . 32 SER CB . 52972 1 198 . 1 . 1 32 32 SER N N 15 115.966 0.3 . 1 . . . . . 32 SER N . 52972 1 199 . 1 . 1 33 33 SER H H 1 8.741 0.020 . 1 . . . . . 33 SER H . 52972 1 200 . 1 . 1 33 33 SER HA H 1 4.566 0.020 . 1 . . . . . 33 SER HA . 52972 1 201 . 1 . 1 33 33 SER HB2 H 1 3.965 0.020 . 1 . . . . . 33 SER HB2 . 52972 1 202 . 1 . 1 33 33 SER HB3 H 1 3.965 0.020 . 1 . . . . . 33 SER HB3 . 52972 1 203 . 1 . 1 33 33 SER C C 13 174.221 0.3 . 1 . . . . . 33 SER C . 52972 1 204 . 1 . 1 33 33 SER CA C 13 58.875 0.3 . 1 . . . . . 33 SER CA . 52972 1 205 . 1 . 1 33 33 SER CB C 13 63.552 0.3 . 1 . . . . . 33 SER CB . 52972 1 206 . 1 . 1 33 33 SER N N 15 118.225 0.3 . 1 . . . . . 33 SER N . 52972 1 207 . 1 . 1 34 34 ASN H H 1 7.488 0.020 . 1 . . . . . 34 ASN H . 52972 1 208 . 1 . 1 34 34 ASN HA H 1 4.799 0.020 . 1 . . . . . 34 ASN HA . 52972 1 209 . 1 . 1 34 34 ASN HB2 H 1 3.686 0.020 . 2 . . . . . 34 ASN HB2 . 52972 1 210 . 1 . 1 34 34 ASN HB3 H 1 2.999 0.020 . 2 . . . . . 34 ASN HB3 . 52972 1 211 . 1 . 1 34 34 ASN HD21 H 1 9.396 0.020 . 1 . . . . . 34 ASN HD21 . 52972 1 212 . 1 . 1 34 34 ASN HD22 H 1 7.747 0.020 . 1 . . . . . 34 ASN HD22 . 52972 1 213 . 1 . 1 34 34 ASN CA C 13 50.661 0.3 . 1 . . . . . 34 ASN CA . 52972 1 214 . 1 . 1 34 34 ASN CB C 13 38.595 0.3 . 1 . . . . . 34 ASN CB . 52972 1 215 . 1 . 1 34 34 ASN N N 15 122.669 0.3 . 1 . . . . . 34 ASN N . 52972 1 216 . 1 . 1 34 34 ASN ND2 N 15 115.278 0.3 . 1 . . . . . 34 ASN ND2 . 52972 1 217 . 1 . 1 35 35 PRO HA H 1 4.307 0.020 . 1 . . . . . 35 PRO HA . 52972 1 218 . 1 . 1 35 35 PRO HB2 H 1 2.008 0.020 . 2 . . . . . 35 PRO HB2 . 52972 1 219 . 1 . 1 35 35 PRO HB3 H 1 2.391 0.020 . 2 . . . . . 35 PRO HB3 . 52972 1 220 . 1 . 1 35 35 PRO HG2 H 1 2.078 0.020 . 2 . . . . . 35 PRO HG2 . 52972 1 221 . 1 . 1 35 35 PRO HG3 H 1 2.015 0.020 . 2 . . . . . 35 PRO HG3 . 52972 1 222 . 1 . 1 35 35 PRO HD2 H 1 4.315 0.020 . 1 . . . . . 35 PRO HD2 . 52972 1 223 . 1 . 1 35 35 PRO HD3 H 1 3.967 0.020 . 2 . . . . . 35 PRO HD3 . 52972 1 224 . 1 . 1 35 35 PRO C C 13 178.848 0.3 . 1 . . . . . 35 PRO C . 52972 1 225 . 1 . 1 35 35 PRO CA C 13 64.350 0.3 . 1 . . . . . 35 PRO CA . 52972 1 226 . 1 . 1 35 35 PRO CB C 13 32.202 0.3 . 1 . . . . . 35 PRO CB . 52972 1 227 . 1 . 1 35 35 PRO CG C 13 27.016 0.3 . 1 . . . . . 35 PRO CG . 52972 1 228 . 1 . 1 35 35 PRO CD C 13 51.681 0.3 . 1 . . . . . 35 PRO CD . 52972 1 229 . 1 . 1 36 36 LYS H H 1 7.936 0.020 . 1 . . . . . 36 LYS H . 52972 1 230 . 1 . 1 36 36 LYS HA H 1 3.666 0.020 . 1 . . . . . 36 LYS HA . 52972 1 231 . 1 . 1 36 36 LYS HB2 H 1 0.005 0.020 . 2 . . . . . 36 LYS HB2 . 52972 1 232 . 1 . 1 36 36 LYS HB3 H 1 0.589 0.020 . 2 . . . . . 36 LYS HB3 . 52972 1 233 . 1 . 1 36 36 LYS HG2 H 1 1.255 0.020 . 1 . . . . . 36 LYS HG2 . 52972 1 234 . 1 . 1 36 36 LYS HG3 H 1 1.133 0.020 . 2 . . . . . 36 LYS HG3 . 52972 1 235 . 1 . 1 36 36 LYS HD2 H 1 1.463 0.020 . 1 . . . . . 36 LYS HD2 . 52972 1 236 . 1 . 1 36 36 LYS HD3 H 1 1.463 0.020 . 1 . . . . . 36 LYS HD3 . 52972 1 237 . 1 . 1 36 36 LYS HE2 H 1 2.963 0.020 . 1 . . . . . 36 LYS HE2 . 52972 1 238 . 1 . 1 36 36 LYS HE3 H 1 2.963 0.020 . 1 . . . . . 36 LYS HE3 . 52972 1 239 . 1 . 1 36 36 LYS C C 13 178.284 0.3 . 1 . . . . . 36 LYS C . 52972 1 240 . 1 . 1 36 36 LYS CA C 13 58.450 0.3 . 1 . . . . . 36 LYS CA . 52972 1 241 . 1 . 1 36 36 LYS CB C 13 30.768 0.3 . 1 . . . . . 36 LYS CB . 52972 1 242 . 1 . 1 36 36 LYS CG C 13 26.100 0.3 . 1 . . . . . 36 LYS CG . 52972 1 243 . 1 . 1 36 36 LYS CD C 13 28.766 0.3 . 1 . . . . . 36 LYS CD . 52972 1 244 . 1 . 1 36 36 LYS CE C 13 42.383 0.3 . 1 . . . . . 36 LYS CE . 52972 1 245 . 1 . 1 36 36 LYS N N 15 117.950 0.3 . 1 . . . . . 36 LYS N . 52972 1 246 . 1 . 1 37 37 PHE H H 1 7.127 0.020 . 1 . . . . . 37 PHE H . 52972 1 247 . 1 . 1 37 37 PHE HA H 1 4.565 0.020 . 1 . . . . . 37 PHE HA . 52972 1 248 . 1 . 1 37 37 PHE HB2 H 1 3.346 0.020 . 2 . . . . . 37 PHE HB2 . 52972 1 249 . 1 . 1 37 37 PHE HB3 H 1 2.760 0.020 . 2 . . . . . 37 PHE HB3 . 52972 1 250 . 1 . 1 37 37 PHE C C 13 178.276 0.3 . 1 . . . . . 37 PHE C . 52972 1 251 . 1 . 1 37 37 PHE CA C 13 59.808 0.3 . 1 . . . . . 37 PHE CA . 52972 1 252 . 1 . 1 37 37 PHE CB C 13 40.004 0.3 . 1 . . . . . 37 PHE CB . 52972 1 253 . 1 . 1 37 37 PHE N N 15 112.270 0.3 . 1 . . . . . 37 PHE N . 52972 1 254 . 1 . 1 38 38 ARG H H 1 7.578 0.020 . 1 . . . . . 38 ARG H . 52972 1 255 . 1 . 1 38 38 ARG HA H 1 4.076 0.020 . 1 . . . . . 38 ARG HA . 52972 1 256 . 1 . 1 38 38 ARG HB2 H 1 1.930 0.020 . 1 . . . . . 38 ARG HB2 . 52972 1 257 . 1 . 1 38 38 ARG HB3 H 1 1.930 0.020 . 1 . . . . . 38 ARG HB3 . 52972 1 258 . 1 . 1 38 38 ARG HG2 H 1 1.696 0.020 . 1 . . . . . 38 ARG HG2 . 52972 1 259 . 1 . 1 38 38 ARG HG3 H 1 1.696 0.020 . 1 . . . . . 38 ARG HG3 . 52972 1 260 . 1 . 1 38 38 ARG HD2 H 1 3.222 0.020 . 1 . . . . . 38 ARG HD2 . 52972 1 261 . 1 . 1 38 38 ARG HD3 H 1 3.222 0.020 . 1 . . . . . 38 ARG HD3 . 52972 1 262 . 1 . 1 38 38 ARG C C 13 176.364 0.3 . 1 . . . . . 38 ARG C . 52972 1 263 . 1 . 1 38 38 ARG CA C 13 58.728 0.3 . 1 . . . . . 38 ARG CA . 52972 1 264 . 1 . 1 38 38 ARG CB C 13 30.340 0.3 . 1 . . . . . 38 ARG CB . 52972 1 265 . 1 . 1 38 38 ARG CG C 13 27.291 0.3 . 1 . . . . . 38 ARG CG . 52972 1 266 . 1 . 1 38 38 ARG CD C 13 43.316 0.3 . 1 . . . . . 38 ARG CD . 52972 1 267 . 1 . 1 38 38 ARG N N 15 119.072 0.3 . 1 . . . . . 38 ARG N . 52972 1 268 . 1 . 1 39 39 ASN H H 1 7.959 0.020 . 1 . . . . . 39 ASN H . 52972 1 269 . 1 . 1 39 39 ASN HA H 1 4.916 0.020 . 1 . . . . . 39 ASN HA . 52972 1 270 . 1 . 1 39 39 ASN HB2 H 1 3.035 0.020 . 2 . . . . . 39 ASN HB2 . 52972 1 271 . 1 . 1 39 39 ASN HB3 H 1 2.719 0.020 . 2 . . . . . 39 ASN HB3 . 52972 1 272 . 1 . 1 39 39 ASN HD21 H 1 7.731 0.020 . 1 . . . . . 39 ASN HD21 . 52972 1 273 . 1 . 1 39 39 ASN HD22 H 1 6.925 0.020 . 1 . . . . . 39 ASN HD22 . 52972 1 274 . 1 . 1 39 39 ASN CA C 13 52.438 0.3 . 1 . . . . . 39 ASN CA . 52972 1 275 . 1 . 1 39 39 ASN N N 15 115.793 0.3 . 1 . . . . . 39 ASN N . 52972 1 276 . 1 . 1 39 39 ASN ND2 N 15 112.530 0.3 . 1 . . . . . 39 ASN ND2 . 52972 1 277 . 1 . 1 40 40 GLU HA H 1 4.377 0.020 . 1 . . . . . 40 GLU HA . 52972 1 278 . 1 . 1 40 40 GLU HB2 H 1 2.164 0.020 . 1 . . . . . 40 GLU HB2 . 52972 1 279 . 1 . 1 40 40 GLU HB3 H 1 2.164 0.020 . 1 . . . . . 40 GLU HB3 . 52972 1 280 . 1 . 1 40 40 GLU HG2 H 1 2.322 0.020 . 2 . . . . . 40 GLU HG2 . 52972 1 281 . 1 . 1 40 40 GLU HG3 H 1 2.247 0.020 . 2 . . . . . 40 GLU HG3 . 52972 1 282 . 1 . 1 40 40 GLU C C 13 175.838 0.3 . 1 . . . . . 40 GLU C . 52972 1 283 . 1 . 1 40 40 GLU CA C 13 57.909 0.3 . 1 . . . . . 40 GLU CA . 52972 1 284 . 1 . 1 40 40 GLU CB C 13 27.995 0.3 . 1 . . . . . 40 GLU CB . 52972 1 285 . 1 . 1 40 40 GLU CG C 13 36.424 0.3 . 1 . . . . . 40 GLU CG . 52972 1 286 . 1 . 1 41 41 ASP H H 1 8.157 0.020 . 1 . . . . . 41 ASP H . 52972 1 287 . 1 . 1 41 41 ASP HA H 1 4.897 0.020 . 1 . . . . . 41 ASP HA . 52972 1 288 . 1 . 1 41 41 ASP HB2 H 1 2.585 0.020 . 2 . . . . . 41 ASP HB2 . 52972 1 289 . 1 . 1 41 41 ASP HB3 H 1 2.865 0.020 . 2 . . . . . 41 ASP HB3 . 52972 1 290 . 1 . 1 41 41 ASP C C 13 176.839 0.3 . 1 . . . . . 41 ASP C . 52972 1 291 . 1 . 1 41 41 ASP CA C 13 53.048 0.3 . 1 . . . . . 41 ASP CA . 52972 1 292 . 1 . 1 41 41 ASP CB C 13 41.262 0.3 . 1 . . . . . 41 ASP CB . 52972 1 293 . 1 . 1 41 41 ASP N N 15 117.626 0.3 . 1 . . . . . 41 ASP N . 52972 1 294 . 1 . 1 42 42 TYR H H 1 8.120 0.020 . 1 . . . . . 42 TYR H . 52972 1 295 . 1 . 1 42 42 TYR HA H 1 4.699 0.020 . 1 . . . . . 42 TYR HA . 52972 1 296 . 1 . 1 42 42 TYR HB2 H 1 3.181 0.020 . 1 . . . . . 42 TYR HB2 . 52972 1 297 . 1 . 1 42 42 TYR HB3 H 1 3.181 0.020 . 1 . . . . . 42 TYR HB3 . 52972 1 298 . 1 . 1 42 42 TYR HD1 H 1 6.216 0.020 . 1 . . . . . 42 TYR HD1 . 52972 1 299 . 1 . 1 42 42 TYR HD2 H 1 6.216 0.020 . 1 . . . . . 42 TYR HD2 . 52972 1 300 . 1 . 1 42 42 TYR C C 13 176.109 0.3 . 1 . . . . . 42 TYR C . 52972 1 301 . 1 . 1 42 42 TYR CA C 13 56.811 0.3 . 1 . . . . . 42 TYR CA . 52972 1 302 . 1 . 1 42 42 TYR CB C 13 36.544 0.3 . 1 . . . . . 42 TYR CB . 52972 1 303 . 1 . 1 42 42 TYR N N 15 124.117 0.3 . 1 . . . . . 42 TYR N . 52972 1 304 . 1 . 1 43 43 THR H H 1 9.083 0.020 . 1 . . . . . 43 THR H . 52972 1 305 . 1 . 1 43 43 THR HA H 1 5.622 0.020 . 1 . . . . . 43 THR HA . 52972 1 306 . 1 . 1 43 43 THR HB H 1 3.881 0.020 . 1 . . . . . 43 THR HB . 52972 1 307 . 1 . 1 43 43 THR HG21 H 1 0.712 0.020 . 1 . . . . . 43 THR HG2 . 52972 1 308 . 1 . 1 43 43 THR HG22 H 1 0.712 0.020 . 1 . . . . . 43 THR HG2 . 52972 1 309 . 1 . 1 43 43 THR HG23 H 1 0.712 0.020 . 1 . . . . . 43 THR HG2 . 52972 1 310 . 1 . 1 43 43 THR C C 13 173.115 0.3 . 1 . . . . . 43 THR C . 52972 1 311 . 1 . 1 43 43 THR CA C 13 61.384 0.3 . 1 . . . . . 43 THR CA . 52972 1 312 . 1 . 1 43 43 THR CB C 13 72.547 0.3 . 1 . . . . . 43 THR CB . 52972 1 313 . 1 . 1 43 43 THR CG2 C 13 19.847 0.3 . 1 . . . . . 43 THR CG2 . 52972 1 314 . 1 . 1 43 43 THR N N 15 129.829 0.3 . 1 . . . . . 43 THR N . 52972 1 315 . 1 . 1 44 44 ILE H H 1 8.725 0.020 . 1 . . . . . 44 ILE H . 52972 1 316 . 1 . 1 44 44 ILE HA H 1 4.456 0.020 . 1 . . . . . 44 ILE HA . 52972 1 317 . 1 . 1 44 44 ILE HB H 1 1.471 0.020 . 1 . . . . . 44 ILE HB . 52972 1 318 . 1 . 1 44 44 ILE HG12 H 1 1.079 0.020 . 2 . . . . . 44 ILE HG12 . 52972 1 319 . 1 . 1 44 44 ILE HG13 H 1 0.815 0.020 . 2 . . . . . 44 ILE HG13 . 52972 1 320 . 1 . 1 44 44 ILE HG21 H 1 0.571 0.020 . 1 . . . . . 44 ILE HG2 . 52972 1 321 . 1 . 1 44 44 ILE HG22 H 1 0.571 0.020 . 1 . . . . . 44 ILE HG2 . 52972 1 322 . 1 . 1 44 44 ILE HG23 H 1 0.571 0.020 . 1 . . . . . 44 ILE HG2 . 52972 1 323 . 1 . 1 44 44 ILE HD11 H 1 0.469 0.020 . 1 . . . . . 44 ILE HD1 . 52972 1 324 . 1 . 1 44 44 ILE HD12 H 1 0.469 0.020 . 1 . . . . . 44 ILE HD1 . 52972 1 325 . 1 . 1 44 44 ILE HD13 H 1 0.469 0.020 . 1 . . . . . 44 ILE HD1 . 52972 1 326 . 1 . 1 44 44 ILE C C 13 172.979 0.3 . 1 . . . . . 44 ILE C . 52972 1 327 . 1 . 1 44 44 ILE CA C 13 59.318 0.3 . 1 . . . . . 44 ILE CA . 52972 1 328 . 1 . 1 44 44 ILE CB C 13 40.840 0.3 . 1 . . . . . 44 ILE CB . 52972 1 329 . 1 . 1 44 44 ILE CG1 C 13 26.452 0.3 . 1 . . . . . 44 ILE CG1 . 52972 1 330 . 1 . 1 44 44 ILE CG2 C 13 17.483 0.3 . 1 . . . . . 44 ILE CG2 . 52972 1 331 . 1 . 1 44 44 ILE CD1 C 13 13.505 0.3 . 1 . . . . . 44 ILE CD1 . 52972 1 332 . 1 . 1 44 44 ILE N N 15 122.755 0.3 . 1 . . . . . 44 ILE N . 52972 1 333 . 1 . 1 45 45 HIS H H 1 8.243 0.020 . 1 . . . . . 45 HIS H . 52972 1 334 . 1 . 1 45 45 HIS HA H 1 5.118 0.020 . 1 . . . . . 45 HIS HA . 52972 1 335 . 1 . 1 45 45 HIS HB2 H 1 2.924 0.020 . 2 . . . . . 45 HIS HB2 . 52972 1 336 . 1 . 1 45 45 HIS HB3 H 1 2.786 0.020 . 2 . . . . . 45 HIS HB3 . 52972 1 337 . 1 . 1 45 45 HIS HD2 H 1 6.775 0.020 . 1 . . . . . 45 HIS HD2 . 52972 1 338 . 1 . 1 45 45 HIS C C 13 175.334 0.3 . 1 . . . . . 45 HIS C . 52972 1 339 . 1 . 1 45 45 HIS CA C 13 55.282 0.3 . 1 . . . . . 45 HIS CA . 52972 1 340 . 1 . 1 45 45 HIS CB C 13 31.186 0.3 . 1 . . . . . 45 HIS CB . 52972 1 341 . 1 . 1 45 45 HIS N N 15 124.299 0.3 . 1 . . . . . 45 HIS N . 52972 1 342 . 1 . 1 46 46 VAL H H 1 8.482 0.020 . 1 . . . . . 46 VAL H . 52972 1 343 . 1 . 1 46 46 VAL HA H 1 4.551 0.020 . 1 . . . . . 46 VAL HA . 52972 1 344 . 1 . 1 46 46 VAL HB H 1 2.078 0.020 . 1 . . . . . 46 VAL HB . 52972 1 345 . 1 . 1 46 46 VAL HG11 H 1 -0.072 0.020 . 2 . . . . . 46 VAL HG1 . 52972 1 346 . 1 . 1 46 46 VAL HG12 H 1 -0.072 0.020 . 2 . . . . . 46 VAL HG1 . 52972 1 347 . 1 . 1 46 46 VAL HG13 H 1 -0.072 0.020 . 2 . . . . . 46 VAL HG1 . 52972 1 348 . 1 . 1 46 46 VAL HG21 H 1 -0.229 0.020 . 2 . . . . . 46 VAL HG2 . 52972 1 349 . 1 . 1 46 46 VAL HG22 H 1 -0.229 0.020 . 2 . . . . . 46 VAL HG2 . 52972 1 350 . 1 . 1 46 46 VAL HG23 H 1 -0.229 0.020 . 2 . . . . . 46 VAL HG2 . 52972 1 351 . 1 . 1 46 46 VAL C C 13 174.160 0.3 . 1 . . . . . 46 VAL C . 52972 1 352 . 1 . 1 46 46 VAL CA C 13 57.696 0.3 . 1 . . . . . 46 VAL CA . 52972 1 353 . 1 . 1 46 46 VAL CB C 13 34.123 0.3 . 1 . . . . . 46 VAL CB . 52972 1 354 . 1 . 1 46 46 VAL CG1 C 13 18.527 0.3 . 1 . . . . . 46 VAL CG1 . 52972 1 355 . 1 . 1 46 46 VAL CG2 C 13 20.219 0.3 . 1 . . . . . 46 VAL CG2 . 52972 1 356 . 1 . 1 46 46 VAL N N 15 115.661 0.3 . 1 . . . . . 46 VAL N . 52972 1 357 . 1 . 1 47 47 GLN H H 1 8.491 0.020 . 1 . . . . . 47 GLN H . 52972 1 358 . 1 . 1 47 47 GLN HA H 1 4.706 0.020 . 1 . . . . . 47 GLN HA . 52972 1 359 . 1 . 1 47 47 GLN HB2 H 1 2.080 0.020 . 2 . . . . . 47 GLN HB2 . 52972 1 360 . 1 . 1 47 47 GLN HB3 H 1 1.947 0.020 . 2 . . . . . 47 GLN HB3 . 52972 1 361 . 1 . 1 47 47 GLN HG2 H 1 2.465 0.020 . 2 . . . . . 47 GLN HG2 . 52972 1 362 . 1 . 1 47 47 GLN HG3 H 1 2.359 0.020 . 2 . . . . . 47 GLN HG3 . 52972 1 363 . 1 . 1 47 47 GLN HE21 H 1 7.856 0.020 . 1 . . . . . 47 GLN HE21 . 52972 1 364 . 1 . 1 47 47 GLN HE22 H 1 6.823 0.020 . 1 . . . . . 47 GLN HE22 . 52972 1 365 . 1 . 1 47 47 GLN C C 13 176.049 0.3 . 1 . . . . . 47 GLN C . 52972 1 366 . 1 . 1 47 47 GLN CA C 13 53.467 0.3 . 1 . . . . . 47 GLN CA . 52972 1 367 . 1 . 1 47 47 GLN CB C 13 30.945 0.3 . 1 . . . . . 47 GLN CB . 52972 1 368 . 1 . 1 47 47 GLN CG C 13 34.469 0.3 . 1 . . . . . 47 GLN CG . 52972 1 369 . 1 . 1 47 47 GLN N N 15 119.423 0.3 . 1 . . . . . 47 GLN N . 52972 1 370 . 1 . 1 47 47 GLN NE2 N 15 113.107 0.3 . 1 . . . . . 47 GLN NE2 . 52972 1 371 . 1 . 1 48 48 LEU H H 1 8.614 0.020 . 1 . . . . . 48 LEU H . 52972 1 372 . 1 . 1 48 48 LEU HA H 1 4.024 0.020 . 1 . . . . . 48 LEU HA . 52972 1 373 . 1 . 1 48 48 LEU HB2 H 1 1.484 0.020 . 1 . . . . . 48 LEU HB2 . 52972 1 374 . 1 . 1 48 48 LEU HB3 H 1 1.484 0.020 . 1 . . . . . 48 LEU HB3 . 52972 1 375 . 1 . 1 48 48 LEU HG H 1 1.628 0.020 . 1 . . . . . 48 LEU HG . 52972 1 376 . 1 . 1 48 48 LEU HD11 H 1 0.888 0.020 . 2 . . . . . 48 LEU HD1 . 52972 1 377 . 1 . 1 48 48 LEU HD12 H 1 0.888 0.020 . 2 . . . . . 48 LEU HD1 . 52972 1 378 . 1 . 1 48 48 LEU HD13 H 1 0.888 0.020 . 2 . . . . . 48 LEU HD1 . 52972 1 379 . 1 . 1 48 48 LEU HD21 H 1 0.820 0.020 . 2 . . . . . 48 LEU HD2 . 52972 1 380 . 1 . 1 48 48 LEU HD22 H 1 0.820 0.020 . 2 . . . . . 48 LEU HD2 . 52972 1 381 . 1 . 1 48 48 LEU HD23 H 1 0.820 0.020 . 2 . . . . . 48 LEU HD2 . 52972 1 382 . 1 . 1 48 48 LEU C C 13 178.434 0.3 . 1 . . . . . 48 LEU C . 52972 1 383 . 1 . 1 48 48 LEU CA C 13 57.085 0.3 . 1 . . . . . 48 LEU CA . 52972 1 384 . 1 . 1 48 48 LEU CB C 13 42.011 0.3 . 1 . . . . . 48 LEU CB . 52972 1 385 . 1 . 1 48 48 LEU CG C 13 26.711 0.3 . 1 . . . . . 48 LEU CG . 52972 1 386 . 1 . 1 48 48 LEU CD1 C 13 24.915 0.3 . 1 . . . . . 48 LEU CD1 . 52972 1 387 . 1 . 1 48 48 LEU CD2 C 13 24.830 0.3 . 1 . . . . . 48 LEU CD2 . 52972 1 388 . 1 . 1 48 48 LEU N N 15 121.080 0.3 . 1 . . . . . 48 LEU N . 52972 1 389 . 1 . 1 49 49 ASN H H 1 8.928 0.020 . 1 . . . . . 49 ASN H . 52972 1 390 . 1 . 1 49 49 ASN HA H 1 3.669 0.020 . 1 . . . . . 49 ASN HA . 52972 1 391 . 1 . 1 49 49 ASN HB2 H 1 3.535 0.020 . 2 . . . . . 49 ASN HB2 . 52972 1 392 . 1 . 1 49 49 ASN HB3 H 1 2.844 0.020 . 2 . . . . . 49 ASN HB3 . 52972 1 393 . 1 . 1 49 49 ASN HD21 H 1 7.654 0.020 . 1 . . . . . 49 ASN HD21 . 52972 1 394 . 1 . 1 49 49 ASN HD22 H 1 6.904 0.020 . 1 . . . . . 49 ASN HD22 . 52972 1 395 . 1 . 1 49 49 ASN C C 13 173.461 0.3 . 1 . . . . . 49 ASN C . 52972 1 396 . 1 . 1 49 49 ASN CA C 13 56.331 0.3 . 1 . . . . . 49 ASN CA . 52972 1 397 . 1 . 1 49 49 ASN CB C 13 36.824 0.3 . 1 . . . . . 49 ASN CB . 52972 1 398 . 1 . 1 49 49 ASN N N 15 115.974 0.3 . 1 . . . . . 49 ASN N . 52972 1 399 . 1 . 1 49 49 ASN ND2 N 15 113.369 0.3 . 1 . . . . . 49 ASN ND2 . 52972 1 400 . 1 . 1 50 50 ASP H H 1 8.117 0.020 . 1 . . . . . 50 ASP H . 52972 1 401 . 1 . 1 50 50 ASP HA H 1 4.931 0.020 . 1 . . . . . 50 ASP HA . 52972 1 402 . 1 . 1 50 50 ASP HB2 H 1 3.138 0.020 . 2 . . . . . 50 ASP HB2 . 52972 1 403 . 1 . 1 50 50 ASP HB3 H 1 2.752 0.020 . 2 . . . . . 50 ASP HB3 . 52972 1 404 . 1 . 1 50 50 ASP C C 13 175.169 0.3 . 1 . . . . . 50 ASP C . 52972 1 405 . 1 . 1 50 50 ASP CA C 13 54.717 0.3 . 1 . . . . . 50 ASP CA . 52972 1 406 . 1 . 1 50 50 ASP CB C 13 42.635 0.3 . 1 . . . . . 50 ASP CB . 52972 1 407 . 1 . 1 50 50 ASP N N 15 119.311 0.3 . 1 . . . . . 50 ASP N . 52972 1 408 . 1 . 1 51 51 TYR H H 1 8.800 0.020 . 1 . . . . . 51 TYR H . 52972 1 409 . 1 . 1 51 51 TYR HA H 1 5.469 0.020 . 1 . . . . . 51 TYR HA . 52972 1 410 . 1 . 1 51 51 TYR HB2 H 1 2.666 0.020 . 2 . . . . . 51 TYR HB2 . 52972 1 411 . 1 . 1 51 51 TYR HB3 H 1 2.601 0.020 . 2 . . . . . 51 TYR HB3 . 52972 1 412 . 1 . 1 51 51 TYR HD1 H 1 6.905 0.020 . 1 . . . . . 51 TYR HD1 . 52972 1 413 . 1 . 1 51 51 TYR HD2 H 1 6.905 0.020 . 1 . . . . . 51 TYR HD2 . 52972 1 414 . 1 . 1 51 51 TYR C C 13 176.877 0.3 . 1 . . . . . 51 TYR C . 52972 1 415 . 1 . 1 51 51 TYR CA C 13 56.706 0.3 . 1 . . . . . 51 TYR CA . 52972 1 416 . 1 . 1 51 51 TYR CB C 13 41.869 0.3 . 1 . . . . . 51 TYR CB . 52972 1 417 . 1 . 1 51 51 TYR N N 15 115.055 0.3 . 1 . . . . . 51 TYR N . 52972 1 418 . 1 . 1 52 52 VAL H H 1 9.102 0.020 . 1 . . . . . 52 VAL H . 52972 1 419 . 1 . 1 52 52 VAL HA H 1 4.629 0.020 . 1 . . . . . 52 VAL HA . 52972 1 420 . 1 . 1 52 52 VAL HB H 1 1.949 0.020 . 1 . . . . . 52 VAL HB . 52972 1 421 . 1 . 1 52 52 VAL HG11 H 1 0.695 0.020 . 2 . . . . . 52 VAL HG1 . 52972 1 422 . 1 . 1 52 52 VAL HG12 H 1 0.695 0.020 . 2 . . . . . 52 VAL HG1 . 52972 1 423 . 1 . 1 52 52 VAL HG13 H 1 0.695 0.020 . 2 . . . . . 52 VAL HG1 . 52972 1 424 . 1 . 1 52 52 VAL HG21 H 1 0.633 0.020 . 2 . . . . . 52 VAL HG2 . 52972 1 425 . 1 . 1 52 52 VAL HG22 H 1 0.633 0.020 . 2 . . . . . 52 VAL HG2 . 52972 1 426 . 1 . 1 52 52 VAL HG23 H 1 0.633 0.020 . 2 . . . . . 52 VAL HG2 . 52972 1 427 . 1 . 1 52 52 VAL C C 13 173.325 0.3 . 1 . . . . . 52 VAL C . 52972 1 428 . 1 . 1 52 52 VAL CA C 13 61.698 0.3 . 1 . . . . . 52 VAL CA . 52972 1 429 . 1 . 1 52 52 VAL CB C 13 34.407 0.3 . 1 . . . . . 52 VAL CB . 52972 1 430 . 1 . 1 52 52 VAL CG1 C 13 23.590 0.3 . 1 . . . . . 52 VAL CG1 . 52972 1 431 . 1 . 1 52 52 VAL CG2 C 13 20.522 0.3 . 1 . . . . . 52 VAL CG2 . 52972 1 432 . 1 . 1 52 52 VAL N N 15 121.176 0.3 . 1 . . . . . 52 VAL N . 52972 1 433 . 1 . 1 53 53 ASP H H 1 8.960 0.020 . 1 . . . . . 53 ASP H . 52972 1 434 . 1 . 1 53 53 ASP HA H 1 5.355 0.020 . 1 . . . . . 53 ASP HA . 52972 1 435 . 1 . 1 53 53 ASP HB2 H 1 1.981 0.020 . 2 . . . . . 53 ASP HB2 . 52972 1 436 . 1 . 1 53 53 ASP HB3 H 1 2.472 0.020 . 2 . . . . . 53 ASP HB3 . 52972 1 437 . 1 . 1 53 53 ASP C C 13 173.701 0.3 . 1 . . . . . 53 ASP C . 52972 1 438 . 1 . 1 53 53 ASP CA C 13 52.247 0.3 . 1 . . . . . 53 ASP CA . 52972 1 439 . 1 . 1 53 53 ASP CB C 13 42.173 0.3 . 1 . . . . . 53 ASP CB . 52972 1 440 . 1 . 1 53 53 ASP N N 15 127.616 0.3 . 1 . . . . . 53 ASP N . 52972 1 441 . 1 . 1 54 54 ILE H H 1 9.287 0.020 . 1 . . . . . 54 ILE H . 52972 1 442 . 1 . 1 54 54 ILE HA H 1 4.456 0.020 . 1 . . . . . 54 ILE HA . 52972 1 443 . 1 . 1 54 54 ILE HB H 1 1.347 0.020 . 1 . . . . . 54 ILE HB . 52972 1 444 . 1 . 1 54 54 ILE HG12 H 1 1.211 0.020 . 2 . . . . . 54 ILE HG12 . 52972 1 445 . 1 . 1 54 54 ILE HG13 H 1 0.558 0.020 . 2 . . . . . 54 ILE HG13 . 52972 1 446 . 1 . 1 54 54 ILE HG21 H 1 0.691 0.020 . 1 . . . . . 54 ILE HG2 . 52972 1 447 . 1 . 1 54 54 ILE HG22 H 1 0.691 0.020 . 1 . . . . . 54 ILE HG2 . 52972 1 448 . 1 . 1 54 54 ILE HG23 H 1 0.691 0.020 . 1 . . . . . 54 ILE HG2 . 52972 1 449 . 1 . 1 54 54 ILE HD11 H 1 0.111 0.020 . 1 . . . . . 54 ILE HD1 . 52972 1 450 . 1 . 1 54 54 ILE HD12 H 1 0.111 0.020 . 1 . . . . . 54 ILE HD1 . 52972 1 451 . 1 . 1 54 54 ILE HD13 H 1 0.111 0.020 . 1 . . . . . 54 ILE HD1 . 52972 1 452 . 1 . 1 54 54 ILE C C 13 174.063 0.3 . 1 . . . . . 54 ILE C . 52972 1 453 . 1 . 1 54 54 ILE CA C 13 60.540 0.3 . 1 . . . . . 54 ILE CA . 52972 1 454 . 1 . 1 54 54 ILE CB C 13 38.539 0.3 . 1 . . . . . 54 ILE CB . 52972 1 455 . 1 . 1 54 54 ILE CG1 C 13 28.170 0.3 . 1 . . . . . 54 ILE CG1 . 52972 1 456 . 1 . 1 54 54 ILE CG2 C 13 19.134 0.3 . 1 . . . . . 54 ILE CG2 . 52972 1 457 . 1 . 1 54 54 ILE CD1 C 13 12.149 0.3 . 1 . . . . . 54 ILE CD1 . 52972 1 458 . 1 . 1 54 54 ILE N N 15 124.922 0.3 . 1 . . . . . 54 ILE N . 52972 1 459 . 1 . 1 55 55 ILE H H 1 9.161 0.020 . 1 . . . . . 55 ILE H . 52972 1 460 . 1 . 1 55 55 ILE HA H 1 4.183 0.020 . 1 . . . . . 55 ILE HA . 52972 1 461 . 1 . 1 55 55 ILE HB H 1 1.791 0.020 . 1 . . . . . 55 ILE HB . 52972 1 462 . 1 . 1 55 55 ILE HG12 H 1 0.752 0.020 . 2 . . . . . 55 ILE HG12 . 52972 1 463 . 1 . 1 55 55 ILE HG13 H 1 0.866 0.020 . 2 . . . . . 55 ILE HG13 . 52972 1 464 . 1 . 1 55 55 ILE HG21 H 1 0.961 0.020 . 1 . . . . . 55 ILE HG2 . 52972 1 465 . 1 . 1 55 55 ILE HG22 H 1 0.961 0.020 . 1 . . . . . 55 ILE HG2 . 52972 1 466 . 1 . 1 55 55 ILE HG23 H 1 0.961 0.020 . 1 . . . . . 55 ILE HG2 . 52972 1 467 . 1 . 1 55 55 ILE HD11 H 1 0.344 0.020 . 1 . . . . . 55 ILE HD1 . 52972 1 468 . 1 . 1 55 55 ILE HD12 H 1 0.344 0.020 . 1 . . . . . 55 ILE HD1 . 52972 1 469 . 1 . 1 55 55 ILE HD13 H 1 0.344 0.020 . 1 . . . . . 55 ILE HD1 . 52972 1 470 . 1 . 1 55 55 ILE C C 13 177.095 0.3 . 1 . . . . . 55 ILE C . 52972 1 471 . 1 . 1 55 55 ILE CA C 13 59.320 0.3 . 1 . . . . . 55 ILE CA . 52972 1 472 . 1 . 1 55 55 ILE CB C 13 36.550 0.3 . 1 . . . . . 55 ILE CB . 52972 1 473 . 1 . 1 55 55 ILE CG1 C 13 26.536 0.3 . 1 . . . . . 55 ILE CG1 . 52972 1 474 . 1 . 1 55 55 ILE CG2 C 13 17.579 0.3 . 1 . . . . . 55 ILE CG2 . 52972 1 475 . 1 . 1 55 55 ILE CD1 C 13 10.545 0.3 . 1 . . . . . 55 ILE CD1 . 52972 1 476 . 1 . 1 55 55 ILE N N 15 126.202 0.3 . 1 . . . . . 55 ILE N . 52972 1 477 . 1 . 1 56 56 CYS H H 1 8.688 0.020 . 1 . . . . . 56 CYS H . 52972 1 478 . 1 . 1 56 56 CYS HA H 1 4.993 0.020 . 1 . . . . . 56 CYS HA . 52972 1 479 . 1 . 1 56 56 CYS HB2 H 1 3.412 0.020 . 2 . . . . . 56 CYS HB2 . 52972 1 480 . 1 . 1 56 56 CYS HB3 H 1 3.099 0.020 . 2 . . . . . 56 CYS HB3 . 52972 1 481 . 1 . 1 56 56 CYS CA C 13 53.798 0.3 . 1 . . . . . 56 CYS CA . 52972 1 482 . 1 . 1 56 56 CYS CB C 13 36.519 0.3 . 1 . . . . . 56 CYS CB . 52972 1 483 . 1 . 1 56 56 CYS N N 15 127.503 0.3 . 1 . . . . . 56 CYS N . 52972 1 484 . 1 . 1 57 57 PRO C C 13 174.665 0.3 . 1 . . . . . 57 PRO C . 52972 1 485 . 1 . 1 57 57 PRO CA C 13 56.901 0.3 . 1 . . . . . 57 PRO CA . 52972 1 486 . 1 . 1 58 58 HIS H H 1 8.574 0.020 . 1 . . . . . 58 HIS H . 52972 1 487 . 1 . 1 58 58 HIS HA H 1 5.356 0.020 . 1 . . . . . 58 HIS HA . 52972 1 488 . 1 . 1 58 58 HIS HB2 H 1 2.867 0.020 . 1 . . . . . 58 HIS HB2 . 52972 1 489 . 1 . 1 58 58 HIS HB3 H 1 2.867 0.020 . 1 . . . . . 58 HIS HB3 . 52972 1 490 . 1 . 1 58 58 HIS C C 13 172.573 0.3 . 1 . . . . . 58 HIS C . 52972 1 491 . 1 . 1 58 58 HIS CA C 13 56.516 0.3 . 1 . . . . . 58 HIS CA . 52972 1 492 . 1 . 1 58 58 HIS CB C 13 35.440 0.3 . 1 . . . . . 58 HIS CB . 52972 1 493 . 1 . 1 58 58 HIS N N 15 121.512 0.3 . 1 . . . . . 58 HIS N . 52972 1 494 . 1 . 1 59 59 TYR H H 1 7.928 0.020 . 1 . . . . . 59 TYR H . 52972 1 495 . 1 . 1 59 59 TYR HA H 1 4.395 0.020 . 1 . . . . . 59 TYR HA . 52972 1 496 . 1 . 1 59 59 TYR HB2 H 1 2.947 0.020 . 2 . . . . . 59 TYR HB2 . 52972 1 497 . 1 . 1 59 59 TYR HB3 H 1 2.338 0.020 . 1 . . . . . 59 TYR HB3 . 52972 1 498 . 1 . 1 59 59 TYR CA C 13 56.923 0.3 . 1 . . . . . 59 TYR CA . 52972 1 499 . 1 . 1 59 59 TYR CB C 13 39.982 0.3 . 1 . . . . . 59 TYR CB . 52972 1 500 . 1 . 1 59 59 TYR N N 15 124.647 0.3 . 1 . . . . . 59 TYR N . 52972 1 501 . 1 . 1 63 63 SER C C 13 174.416 0.3 . 1 . . . . . 63 SER C . 52972 1 502 . 1 . 1 63 63 SER CA C 13 59.823 0.3 . 1 . . . . . 63 SER CA . 52972 1 503 . 1 . 1 64 64 VAL H H 1 7.657 0.020 . 1 . . . . . 64 VAL H . 52972 1 504 . 1 . 1 64 64 VAL HA H 1 4.041 0.020 . 1 . . . . . 64 VAL HA . 52972 1 505 . 1 . 1 64 64 VAL HB H 1 1.847 0.020 . 1 . . . . . 64 VAL HB . 52972 1 506 . 1 . 1 64 64 VAL HG11 H 1 0.818 0.020 . 2 . . . . . 64 VAL HG1 . 52972 1 507 . 1 . 1 64 64 VAL HG12 H 1 0.818 0.020 . 2 . . . . . 64 VAL HG1 . 52972 1 508 . 1 . 1 64 64 VAL HG13 H 1 0.818 0.020 . 2 . . . . . 64 VAL HG1 . 52972 1 509 . 1 . 1 64 64 VAL HG21 H 1 0.777 0.020 . 2 . . . . . 64 VAL HG2 . 52972 1 510 . 1 . 1 64 64 VAL HG22 H 1 0.777 0.020 . 2 . . . . . 64 VAL HG2 . 52972 1 511 . 1 . 1 64 64 VAL HG23 H 1 0.777 0.020 . 2 . . . . . 64 VAL HG2 . 52972 1 512 . 1 . 1 64 64 VAL C C 13 174.732 0.3 . 1 . . . . . 64 VAL C . 52972 1 513 . 1 . 1 64 64 VAL CA C 13 61.340 0.3 . 1 . . . . . 64 VAL CA . 52972 1 514 . 1 . 1 64 64 VAL CB C 13 33.368 0.3 . 1 . . . . . 64 VAL CB . 52972 1 515 . 1 . 1 64 64 VAL CG1 C 13 20.976 0.3 . 1 . . . . . 64 VAL CG1 . 52972 1 516 . 1 . 1 64 64 VAL CG2 C 13 21.291 0.3 . 1 . . . . . 64 VAL CG2 . 52972 1 517 . 1 . 1 64 64 VAL N N 15 121.164 0.3 . 1 . . . . . 64 VAL N . 52972 1 518 . 1 . 1 65 65 ALA H H 1 8.368 0.020 . 1 . . . . . 65 ALA H . 52972 1 519 . 1 . 1 65 65 ALA HA H 1 4.145 0.020 . 1 . . . . . 65 ALA HA . 52972 1 520 . 1 . 1 65 65 ALA HB1 H 1 1.366 0.020 . 1 . . . . . 65 ALA HB . 52972 1 521 . 1 . 1 65 65 ALA HB2 H 1 1.366 0.020 . 1 . . . . . 65 ALA HB . 52972 1 522 . 1 . 1 65 65 ALA HB3 H 1 1.366 0.020 . 1 . . . . . 65 ALA HB . 52972 1 523 . 1 . 1 65 65 ALA C C 13 178.239 0.3 . 1 . . . . . 65 ALA C . 52972 1 524 . 1 . 1 65 65 ALA CA C 13 52.261 0.3 . 1 . . . . . 65 ALA CA . 52972 1 525 . 1 . 1 65 65 ALA CB C 13 18.652 0.3 . 1 . . . . . 65 ALA CB . 52972 1 526 . 1 . 1 65 65 ALA N N 15 127.343 0.3 . 1 . . . . . 65 ALA N . 52972 1 527 . 1 . 1 66 66 ASP H H 1 8.359 0.020 . 1 . . . . . 66 ASP H . 52972 1 528 . 1 . 1 66 66 ASP HA H 1 4.273 0.020 . 1 . . . . . 66 ASP HA . 52972 1 529 . 1 . 1 66 66 ASP HB2 H 1 2.553 0.020 . 1 . . . . . 66 ASP HB2 . 52972 1 530 . 1 . 1 66 66 ASP HB3 H 1 2.553 0.020 . 1 . . . . . 66 ASP HB3 . 52972 1 531 . 1 . 1 66 66 ASP C C 13 178.329 0.3 . 1 . . . . . 66 ASP C . 52972 1 532 . 1 . 1 66 66 ASP CA C 13 57.030 0.3 . 1 . . . . . 66 ASP CA . 52972 1 533 . 1 . 1 66 66 ASP CB C 13 40.552 0.3 . 1 . . . . . 66 ASP CB . 52972 1 534 . 1 . 1 66 66 ASP N N 15 121.276 0.3 . 1 . . . . . 66 ASP N . 52972 1 535 . 1 . 1 67 67 ALA H H 1 8.275 0.020 . 1 . . . . . 67 ALA H . 52972 1 536 . 1 . 1 67 67 ALA HA H 1 4.028 0.020 . 1 . . . . . 67 ALA HA . 52972 1 537 . 1 . 1 67 67 ALA HB1 H 1 1.297 0.020 . 1 . . . . . 67 ALA HB . 52972 1 538 . 1 . 1 67 67 ALA HB2 H 1 1.297 0.020 . 1 . . . . . 67 ALA HB . 52972 1 539 . 1 . 1 67 67 ALA HB3 H 1 1.297 0.020 . 1 . . . . . 67 ALA HB . 52972 1 540 . 1 . 1 67 67 ALA C C 13 177.471 0.3 . 1 . . . . . 67 ALA C . 52972 1 541 . 1 . 1 67 67 ALA CA C 13 53.527 0.3 . 1 . . . . . 67 ALA CA . 52972 1 542 . 1 . 1 67 67 ALA CB C 13 18.506 0.3 . 1 . . . . . 67 ALA CB . 52972 1 543 . 1 . 1 67 67 ALA N N 15 118.541 0.3 . 1 . . . . . 67 ALA N . 52972 1 544 . 1 . 1 68 68 ALA H H 1 7.733 0.020 . 1 . . . . . 68 ALA H . 52972 1 545 . 1 . 1 68 68 ALA HA H 1 4.275 0.020 . 1 . . . . . 68 ALA HA . 52972 1 546 . 1 . 1 68 68 ALA HB1 H 1 1.336 0.020 . 1 . . . . . 68 ALA HB . 52972 1 547 . 1 . 1 68 68 ALA HB2 H 1 1.336 0.020 . 1 . . . . . 68 ALA HB . 52972 1 548 . 1 . 1 68 68 ALA HB3 H 1 1.336 0.020 . 1 . . . . . 68 ALA HB . 52972 1 549 . 1 . 1 68 68 ALA C C 13 177.306 0.3 . 1 . . . . . 68 ALA C . 52972 1 550 . 1 . 1 68 68 ALA CA C 13 51.523 0.3 . 1 . . . . . 68 ALA CA . 52972 1 551 . 1 . 1 68 68 ALA CB C 13 19.132 0.3 . 1 . . . . . 68 ALA CB . 52972 1 552 . 1 . 1 68 68 ALA N N 15 118.935 0.3 . 1 . . . . . 68 ALA N . 52972 1 553 . 1 . 1 69 69 MET H H 1 7.243 0.020 . 1 . . . . . 69 MET H . 52972 1 554 . 1 . 1 69 69 MET HA H 1 3.495 0.020 . 1 . . . . . 69 MET HA . 52972 1 555 . 1 . 1 69 69 MET HB2 H 1 1.804 0.020 . 1 . . . . . 69 MET HB2 . 52972 1 556 . 1 . 1 69 69 MET HB3 H 1 1.804 0.020 . 1 . . . . . 69 MET HB3 . 52972 1 557 . 1 . 1 69 69 MET HG2 H 1 2.251 0.020 . 1 . . . . . 69 MET HG2 . 52972 1 558 . 1 . 1 69 69 MET HG3 H 1 2.251 0.020 . 1 . . . . . 69 MET HG3 . 52972 1 559 . 1 . 1 69 69 MET C C 13 175.372 0.3 . 1 . . . . . 69 MET C . 52972 1 560 . 1 . 1 69 69 MET CA C 13 56.439 0.3 . 1 . . . . . 69 MET CA . 52972 1 561 . 1 . 1 69 69 MET CB C 13 32.625 0.3 . 1 . . . . . 69 MET CB . 52972 1 562 . 1 . 1 69 69 MET CG C 13 32.675 0.3 . 1 . . . . . 69 MET CG . 52972 1 563 . 1 . 1 69 69 MET N N 15 118.809 0.3 . 1 . . . . . 69 MET N . 52972 1 564 . 1 . 1 70 70 GLU H H 1 8.279 0.020 . 1 . . . . . 70 GLU H . 52972 1 565 . 1 . 1 70 70 GLU HA H 1 4.115 0.020 . 1 . . . . . 70 GLU HA . 52972 1 566 . 1 . 1 70 70 GLU HB2 H 1 2.187 0.020 . 1 . . . . . 70 GLU HB2 . 52972 1 567 . 1 . 1 70 70 GLU HB3 H 1 2.187 0.020 . 1 . . . . . 70 GLU HB3 . 52972 1 568 . 1 . 1 70 70 GLU HG2 H 1 2.389 0.020 . 1 . . . . . 70 GLU HG2 . 52972 1 569 . 1 . 1 70 70 GLU HG3 H 1 2.389 0.020 . 1 . . . . . 70 GLU HG3 . 52972 1 570 . 1 . 1 70 70 GLU CA C 13 57.617 0.3 . 1 . . . . . 70 GLU CA . 52972 1 571 . 1 . 1 70 70 GLU CB C 13 29.969 0.3 . 1 . . . . . 70 GLU CB . 52972 1 572 . 1 . 1 70 70 GLU CG C 13 37.041 0.3 . 1 . . . . . 70 GLU CG . 52972 1 573 . 1 . 1 70 70 GLU N N 15 122.742 0.3 . 1 . . . . . 70 GLU N . 52972 1 574 . 1 . 1 71 71 GLN C C 13 173.506 0.3 . 1 . . . . . 71 GLN C . 52972 1 575 . 1 . 1 71 71 GLN CA C 13 61.635 0.3 . 1 . . . . . 71 GLN CA . 52972 1 576 . 1 . 1 72 72 TYR H H 1 8.097 0.020 . 1 . . . . . 72 TYR H . 52972 1 577 . 1 . 1 72 72 TYR HA H 1 5.593 0.020 . 1 . . . . . 72 TYR HA . 52972 1 578 . 1 . 1 72 72 TYR HB2 H 1 3.093 0.020 . 2 . . . . . 72 TYR HB2 . 52972 1 579 . 1 . 1 72 72 TYR HB3 H 1 2.186 0.020 . 2 . . . . . 72 TYR HB3 . 52972 1 580 . 1 . 1 72 72 TYR C C 13 174.055 0.3 . 1 . . . . . 72 TYR C . 52972 1 581 . 1 . 1 72 72 TYR CA C 13 57.476 0.3 . 1 . . . . . 72 TYR CA . 52972 1 582 . 1 . 1 72 72 TYR CB C 13 45.953 0.3 . 1 . . . . . 72 TYR CB . 52972 1 583 . 1 . 1 72 72 TYR N N 15 127.902 0.3 . 1 . . . . . 72 TYR N . 52972 1 584 . 1 . 1 73 73 ILE H H 1 9.244 0.020 . 1 . . . . . 73 ILE H . 52972 1 585 . 1 . 1 73 73 ILE HA H 1 4.214 0.020 . 1 . . . . . 73 ILE HA . 52972 1 586 . 1 . 1 73 73 ILE HB H 1 1.739 0.020 . 1 . . . . . 73 ILE HB . 52972 1 587 . 1 . 1 73 73 ILE HG12 H 1 1.602 0.020 . 2 . . . . . 73 ILE HG12 . 52972 1 588 . 1 . 1 73 73 ILE HG13 H 1 1.023 0.020 . 2 . . . . . 73 ILE HG13 . 52972 1 589 . 1 . 1 73 73 ILE HG21 H 1 0.543 0.020 . 1 . . . . . 73 ILE HG2 . 52972 1 590 . 1 . 1 73 73 ILE HG22 H 1 0.543 0.020 . 1 . . . . . 73 ILE HG2 . 52972 1 591 . 1 . 1 73 73 ILE HG23 H 1 0.543 0.020 . 1 . . . . . 73 ILE HG2 . 52972 1 592 . 1 . 1 73 73 ILE HD11 H 1 0.840 0.020 . 1 . . . . . 73 ILE HD1 . 52972 1 593 . 1 . 1 73 73 ILE HD12 H 1 0.840 0.020 . 1 . . . . . 73 ILE HD1 . 52972 1 594 . 1 . 1 73 73 ILE HD13 H 1 0.840 0.020 . 1 . . . . . 73 ILE HD1 . 52972 1 595 . 1 . 1 73 73 ILE C C 13 174.454 0.3 . 1 . . . . . 73 ILE C . 52972 1 596 . 1 . 1 73 73 ILE CA C 13 61.635 0.3 . 1 . . . . . 73 ILE CA . 52972 1 597 . 1 . 1 73 73 ILE CB C 13 39.431 0.3 . 1 . . . . . 73 ILE CB . 52972 1 598 . 1 . 1 73 73 ILE CG1 C 13 27.612 0.3 . 1 . . . . . 73 ILE CG1 . 52972 1 599 . 1 . 1 73 73 ILE CG2 C 13 19.392 0.3 . 1 . . . . . 73 ILE CG2 . 52972 1 600 . 1 . 1 73 73 ILE CD1 C 13 12.941 0.3 . 1 . . . . . 73 ILE CD1 . 52972 1 601 . 1 . 1 73 73 ILE N N 15 121.885 0.3 . 1 . . . . . 73 ILE N . 52972 1 602 . 1 . 1 74 74 LEU H H 1 8.682 0.020 . 1 . . . . . 74 LEU H . 52972 1 603 . 1 . 1 74 74 LEU HA H 1 4.987 0.020 . 1 . . . . . 74 LEU HA . 52972 1 604 . 1 . 1 74 74 LEU HB2 H 1 1.575 0.020 . 2 . . . . . 74 LEU HB2 . 52972 1 605 . 1 . 1 74 74 LEU HB3 H 1 1.243 0.020 . 2 . . . . . 74 LEU HB3 . 52972 1 606 . 1 . 1 74 74 LEU HG H 1 0.950 0.020 . 1 . . . . . 74 LEU HG . 52972 1 607 . 1 . 1 74 74 LEU HD11 H 1 0.129 0.020 . 2 . . . . . 74 LEU HD1 . 52972 1 608 . 1 . 1 74 74 LEU HD12 H 1 0.129 0.020 . 2 . . . . . 74 LEU HD1 . 52972 1 609 . 1 . 1 74 74 LEU HD13 H 1 0.129 0.020 . 2 . . . . . 74 LEU HD1 . 52972 1 610 . 1 . 1 74 74 LEU HD21 H 1 -0.410 0.020 . 2 . . . . . 74 LEU HD2 . 52972 1 611 . 1 . 1 74 74 LEU HD22 H 1 -0.410 0.020 . 2 . . . . . 74 LEU HD2 . 52972 1 612 . 1 . 1 74 74 LEU HD23 H 1 -0.410 0.020 . 2 . . . . . 74 LEU HD2 . 52972 1 613 . 1 . 1 74 74 LEU C C 13 175.468 0.3 . 1 . . . . . 74 LEU C . 52972 1 614 . 1 . 1 74 74 LEU CA C 13 54.662 0.3 . 1 . . . . . 74 LEU CA . 52972 1 615 . 1 . 1 74 74 LEU CB C 13 44.991 0.3 . 1 . . . . . 74 LEU CB . 52972 1 616 . 1 . 1 74 74 LEU CG C 13 29.702 0.3 . 1 . . . . . 74 LEU CG . 52972 1 617 . 1 . 1 74 74 LEU CD1 C 13 24.594 0.3 . 1 . . . . . 74 LEU CD1 . 52972 1 618 . 1 . 1 74 74 LEU CD2 C 13 23.998 0.3 . 1 . . . . . 74 LEU CD2 . 52972 1 619 . 1 . 1 74 74 LEU N N 15 126.232 0.3 . 1 . . . . . 74 LEU N . 52972 1 620 . 1 . 1 75 75 TYR H H 1 9.415 0.020 . 1 . . . . . 75 TYR H . 52972 1 621 . 1 . 1 75 75 TYR HA H 1 4.831 0.020 . 1 . . . . . 75 TYR HA . 52972 1 622 . 1 . 1 75 75 TYR HB2 H 1 2.626 0.020 . 1 . . . . . 75 TYR HB2 . 52972 1 623 . 1 . 1 75 75 TYR HB3 H 1 2.626 0.020 . 2 . . . . . 75 TYR HB3 . 52972 1 624 . 1 . 1 75 75 TYR HD1 H 1 6.873 0.020 . 1 . . . . . 75 TYR HD1 . 52972 1 625 . 1 . 1 75 75 TYR HD2 H 1 6.873 0.020 . 1 . . . . . 75 TYR HD2 . 52972 1 626 . 1 . 1 75 75 TYR HE1 H 1 7.097 0.020 . 1 . . . . . 75 TYR HE1 . 52972 1 627 . 1 . 1 75 75 TYR HE2 H 1 7.097 0.020 . 1 . . . . . 75 TYR HE2 . 52972 1 628 . 1 . 1 75 75 TYR C C 13 173.491 0.3 . 1 . . . . . 75 TYR C . 52972 1 629 . 1 . 1 75 75 TYR CA C 13 57.154 0.3 . 1 . . . . . 75 TYR CA . 52972 1 630 . 1 . 1 75 75 TYR CB C 13 39.600 0.3 . 1 . . . . . 75 TYR CB . 52972 1 631 . 1 . 1 75 75 TYR N N 15 120.204 0.3 . 1 . . . . . 75 TYR N . 52972 1 632 . 1 . 1 76 76 LEU H H 1 8.396 0.020 . 1 . . . . . 76 LEU H . 52972 1 633 . 1 . 1 76 76 LEU HA H 1 5.116 0.020 . 1 . . . . . 76 LEU HA . 52972 1 634 . 1 . 1 76 76 LEU HB2 H 1 1.845 0.020 . 2 . . . . . 76 LEU HB2 . 52972 1 635 . 1 . 1 76 76 LEU HB3 H 1 1.074 0.020 . 2 . . . . . 76 LEU HB3 . 52972 1 636 . 1 . 1 76 76 LEU HG H 1 1.407 0.020 . 1 . . . . . 76 LEU HG . 52972 1 637 . 1 . 1 76 76 LEU HD11 H 1 0.836 0.020 . 2 . . . . . 76 LEU HD1 . 52972 1 638 . 1 . 1 76 76 LEU HD12 H 1 0.836 0.020 . 2 . . . . . 76 LEU HD1 . 52972 1 639 . 1 . 1 76 76 LEU HD13 H 1 0.836 0.020 . 2 . . . . . 76 LEU HD1 . 52972 1 640 . 1 . 1 76 76 LEU HD21 H 1 0.665 0.020 . 2 . . . . . 76 LEU HD2 . 52972 1 641 . 1 . 1 76 76 LEU HD22 H 1 0.665 0.020 . 2 . . . . . 76 LEU HD2 . 52972 1 642 . 1 . 1 76 76 LEU HD23 H 1 0.665 0.020 . 2 . . . . . 76 LEU HD2 . 52972 1 643 . 1 . 1 76 76 LEU C C 13 176.749 0.3 . 1 . . . . . 76 LEU C . 52972 1 644 . 1 . 1 76 76 LEU CA C 13 54.557 0.3 . 1 . . . . . 76 LEU CA . 52972 1 645 . 1 . 1 76 76 LEU CB C 13 43.628 0.3 . 1 . . . . . 76 LEU CB . 52972 1 646 . 1 . 1 76 76 LEU CG C 13 27.703 0.3 . 1 . . . . . 76 LEU CG . 52972 1 647 . 1 . 1 76 76 LEU CD1 C 13 26.356 0.3 . 1 . . . . . 76 LEU CD1 . 52972 1 648 . 1 . 1 76 76 LEU CD2 C 13 22.571 0.3 . 1 . . . . . 76 LEU CD2 . 52972 1 649 . 1 . 1 76 76 LEU N N 15 126.770 0.3 . 1 . . . . . 76 LEU N . 52972 1 650 . 1 . 1 77 77 VAL H H 1 9.147 0.020 . 1 . . . . . 77 VAL H . 52972 1 651 . 1 . 1 77 77 VAL HA H 1 5.134 0.020 . 1 . . . . . 77 VAL HA . 52972 1 652 . 1 . 1 77 77 VAL HB H 1 2.692 0.020 . 1 . . . . . 77 VAL HB . 52972 1 653 . 1 . 1 77 77 VAL HG11 H 1 0.761 0.020 . 2 . . . . . 77 VAL HG1 . 52972 1 654 . 1 . 1 77 77 VAL HG12 H 1 0.761 0.020 . 2 . . . . . 77 VAL HG1 . 52972 1 655 . 1 . 1 77 77 VAL HG13 H 1 0.761 0.020 . 2 . . . . . 77 VAL HG1 . 52972 1 656 . 1 . 1 77 77 VAL HG21 H 1 0.744 0.020 . 2 . . . . . 77 VAL HG2 . 52972 1 657 . 1 . 1 77 77 VAL HG22 H 1 0.744 0.020 . 2 . . . . . 77 VAL HG2 . 52972 1 658 . 1 . 1 77 77 VAL HG23 H 1 0.744 0.020 . 2 . . . . . 77 VAL HG2 . 52972 1 659 . 1 . 1 77 77 VAL C C 13 175.468 0.3 . 1 . . . . . 77 VAL C . 52972 1 660 . 1 . 1 77 77 VAL CA C 13 58.789 0.3 . 1 . . . . . 77 VAL CA . 52972 1 661 . 1 . 1 77 77 VAL CB C 13 35.830 0.3 . 1 . . . . . 77 VAL CB . 52972 1 662 . 1 . 1 77 77 VAL CG1 C 13 22.429 0.3 . 1 . . . . . 77 VAL CG1 . 52972 1 663 . 1 . 1 77 77 VAL CG2 C 13 18.489 0.3 . 1 . . . . . 77 VAL CG2 . 52972 1 664 . 1 . 1 77 77 VAL N N 15 119.086 0.3 . 1 . . . . . 77 VAL N . 52972 1 665 . 1 . 1 78 78 GLU H H 1 8.488 0.020 . 1 . . . . . 78 GLU H . 52972 1 666 . 1 . 1 78 78 GLU HA H 1 4.708 0.020 . 1 . . . . . 78 GLU HA . 52972 1 667 . 1 . 1 78 78 GLU HB2 H 1 2.190 0.020 . 1 . . . . . 78 GLU HB2 . 52972 1 668 . 1 . 1 78 78 GLU HB3 H 1 2.190 0.020 . 2 . . . . . 78 GLU HB3 . 52972 1 669 . 1 . 1 78 78 GLU HG2 H 1 2.430 0.020 . 2 . . . . . 78 GLU HG2 . 52972 1 670 . 1 . 1 78 78 GLU HG3 H 1 2.570 0.020 . 2 . . . . . 78 GLU HG3 . 52972 1 671 . 1 . 1 78 78 GLU C C 13 177.396 0.3 . 1 . . . . . 78 GLU C . 52972 1 672 . 1 . 1 78 78 GLU CA C 13 55.101 0.3 . 1 . . . . . 78 GLU CA . 52972 1 673 . 1 . 1 78 78 GLU CB C 13 30.652 0.3 . 1 . . . . . 78 GLU CB . 52972 1 674 . 1 . 1 78 78 GLU CG C 13 36.815 0.3 . 1 . . . . . 78 GLU CG . 52972 1 675 . 1 . 1 78 78 GLU N N 15 117.720 0.3 . 1 . . . . . 78 GLU N . 52972 1 676 . 1 . 1 79 79 HIS H H 1 8.790 0.020 . 1 . . . . . 79 HIS H . 52972 1 677 . 1 . 1 79 79 HIS HA H 1 2.792 0.020 . 1 . . . . . 79 HIS HA . 52972 1 678 . 1 . 1 79 79 HIS HB2 H 1 2.866 0.020 . 1 . . . . . 79 HIS HB2 . 52972 1 679 . 1 . 1 79 79 HIS HB3 H 1 2.866 0.020 . 1 . . . . . 79 HIS HB3 . 52972 1 680 . 1 . 1 79 79 HIS HD2 H 1 6.251 0.020 . 1 . . . . . 79 HIS HD2 . 52972 1 681 . 1 . 1 79 79 HIS C C 13 176.764 0.3 . 1 . . . . . 79 HIS C . 52972 1 682 . 1 . 1 79 79 HIS CA C 13 60.372 0.3 . 1 . . . . . 79 HIS CA . 52972 1 683 . 1 . 1 79 79 HIS CB C 13 30.393 0.3 . 1 . . . . . 79 HIS CB . 52972 1 684 . 1 . 1 79 79 HIS N N 15 119.839 0.3 . 1 . . . . . 79 HIS N . 52972 1 685 . 1 . 1 80 80 GLU H H 1 9.015 0.020 . 1 . . . . . 80 GLU H . 52972 1 686 . 1 . 1 80 80 GLU HA H 1 3.764 0.020 . 1 . . . . . 80 GLU HA . 52972 1 687 . 1 . 1 80 80 GLU HB2 H 1 2.019 0.020 . 2 . . . . . 80 GLU HB2 . 52972 1 688 . 1 . 1 80 80 GLU HB3 H 1 1.900 0.020 . 2 . . . . . 80 GLU HB3 . 52972 1 689 . 1 . 1 80 80 GLU HG2 H 1 2.332 0.020 . 2 . . . . . 80 GLU HG2 . 52972 1 690 . 1 . 1 80 80 GLU HG3 H 1 2.240 0.020 . 2 . . . . . 80 GLU HG3 . 52972 1 691 . 1 . 1 80 80 GLU C C 13 178.555 0.3 . 1 . . . . . 80 GLU C . 52972 1 692 . 1 . 1 80 80 GLU CA C 13 60.455 0.3 . 1 . . . . . 80 GLU CA . 52972 1 693 . 1 . 1 80 80 GLU CB C 13 28.831 0.3 . 1 . . . . . 80 GLU CB . 52972 1 694 . 1 . 1 80 80 GLU CG C 13 36.784 0.3 . 1 . . . . . 80 GLU CG . 52972 1 695 . 1 . 1 80 80 GLU N N 15 117.413 0.3 . 1 . . . . . 80 GLU N . 52972 1 696 . 1 . 1 81 81 GLU H H 1 7.169 0.020 . 1 . . . . . 81 GLU H . 52972 1 697 . 1 . 1 81 81 GLU HA H 1 3.957 0.020 . 1 . . . . . 81 GLU HA . 52972 1 698 . 1 . 1 81 81 GLU HB2 H 1 1.975 0.020 . 2 . . . . . 81 GLU HB2 . 52972 1 699 . 1 . 1 81 81 GLU HB3 H 1 2.297 0.020 . 2 . . . . . 81 GLU HB3 . 52972 1 700 . 1 . 1 81 81 GLU HG2 H 1 2.233 0.020 . 1 . . . . . 81 GLU HG2 . 52972 1 701 . 1 . 1 81 81 GLU HG3 H 1 2.233 0.020 . 1 . . . . . 81 GLU HG3 . 52972 1 702 . 1 . 1 81 81 GLU C C 13 178.660 0.3 . 1 . . . . . 81 GLU C . 52972 1 703 . 1 . 1 81 81 GLU CA C 13 60.020 0.3 . 1 . . . . . 81 GLU CA . 52972 1 704 . 1 . 1 81 81 GLU CB C 13 30.456 0.3 . 1 . . . . . 81 GLU CB . 52972 1 705 . 1 . 1 81 81 GLU CG C 13 39.261 0.3 . 1 . . . . . 81 GLU CG . 52972 1 706 . 1 . 1 81 81 GLU N N 15 118.223 0.3 . 1 . . . . . 81 GLU N . 52972 1 707 . 1 . 1 82 82 TYR H H 1 7.747 0.020 . 1 . . . . . 82 TYR H . 52972 1 708 . 1 . 1 82 82 TYR HA H 1 4.030 0.020 . 1 . . . . . 82 TYR HA . 52972 1 709 . 1 . 1 82 82 TYR HB2 H 1 2.878 0.020 . 2 . . . . . 82 TYR HB2 . 52972 1 710 . 1 . 1 82 82 TYR HB3 H 1 2.494 0.020 . 2 . . . . . 82 TYR HB3 . 52972 1 711 . 1 . 1 82 82 TYR C C 13 177.652 0.3 . 1 . . . . . 82 TYR C . 52972 1 712 . 1 . 1 82 82 TYR CA C 13 60.263 0.3 . 1 . . . . . 82 TYR CA . 52972 1 713 . 1 . 1 82 82 TYR CB C 13 37.361 0.3 . 1 . . . . . 82 TYR CB . 52972 1 714 . 1 . 1 82 82 TYR N N 15 121.122 0.3 . 1 . . . . . 82 TYR N . 52972 1 715 . 1 . 1 83 83 GLN H H 1 8.303 0.020 . 1 . . . . . 83 GLN H . 52972 1 716 . 1 . 1 83 83 GLN HA H 1 3.690 0.020 . 1 . . . . . 83 GLN HA . 52972 1 717 . 1 . 1 83 83 GLN HB2 H 1 2.016 0.020 . 2 . . . . . 83 GLN HB2 . 52972 1 718 . 1 . 1 83 83 GLN HB3 H 1 2.199 0.020 . 2 . . . . . 83 GLN HB3 . 52972 1 719 . 1 . 1 83 83 GLN HG2 H 1 2.164 0.020 . 2 . . . . . 83 GLN HG2 . 52972 1 720 . 1 . 1 83 83 GLN HG3 H 1 1.981 0.020 . 2 . . . . . 83 GLN HG3 . 52972 1 721 . 1 . 1 83 83 GLN HE21 H 1 7.120 0.020 . 1 . . . . . 83 GLN HE21 . 52972 1 722 . 1 . 1 83 83 GLN HE22 H 1 6.920 0.020 . 1 . . . . . 83 GLN HE22 . 52972 1 723 . 1 . 1 83 83 GLN C C 13 178.261 0.3 . 1 . . . . . 83 GLN C . 52972 1 724 . 1 . 1 83 83 GLN CA C 13 58.509 0.3 . 1 . . . . . 83 GLN CA . 52972 1 725 . 1 . 1 83 83 GLN CG C 13 33.413 0.3 . 1 . . . . . 83 GLN CG . 52972 1 726 . 1 . 1 83 83 GLN N N 15 119.786 0.3 . 1 . . . . . 83 GLN N . 52972 1 727 . 1 . 1 83 83 GLN NE2 N 15 111.253 0.3 . 1 . . . . . 83 GLN NE2 . 52972 1 728 . 1 . 1 84 84 LEU H H 1 7.442 0.020 . 1 . . . . . 84 LEU H . 52972 1 729 . 1 . 1 84 84 LEU HA H 1 4.117 0.020 . 1 . . . . . 84 LEU HA . 52972 1 730 . 1 . 1 84 84 LEU HB2 H 1 1.656 0.020 . 2 . . . . . 84 LEU HB2 . 52972 1 731 . 1 . 1 84 84 LEU HB3 H 1 1.656 0.020 . 1 . . . . . 84 LEU HB3 . 52972 1 732 . 1 . 1 84 84 LEU HG H 1 1.732 0.020 . 1 . . . . . 84 LEU HG . 52972 1 733 . 1 . 1 84 84 LEU HD11 H 1 0.838 0.020 . 2 . . . . . 84 LEU HD1 . 52972 1 734 . 1 . 1 84 84 LEU HD12 H 1 0.838 0.020 . 2 . . . . . 84 LEU HD1 . 52972 1 735 . 1 . 1 84 84 LEU HD13 H 1 0.838 0.020 . 2 . . . . . 84 LEU HD1 . 52972 1 736 . 1 . 1 84 84 LEU HD21 H 1 0.814 0.020 . 2 . . . . . 84 LEU HD2 . 52972 1 737 . 1 . 1 84 84 LEU HD22 H 1 0.814 0.020 . 2 . . . . . 84 LEU HD2 . 52972 1 738 . 1 . 1 84 84 LEU HD23 H 1 0.814 0.020 . 2 . . . . . 84 LEU HD2 . 52972 1 739 . 1 . 1 84 84 LEU C C 13 175.778 0.3 . 1 . . . . . 84 LEU C . 52972 1 740 . 1 . 1 84 84 LEU CA C 13 54.973 0.3 . 1 . . . . . 84 LEU CA . 52972 1 741 . 1 . 1 84 84 LEU CB C 13 42.645 0.3 . 1 . . . . . 84 LEU CB . 52972 1 742 . 1 . 1 84 84 LEU CG C 13 26.801 0.3 . 1 . . . . . 84 LEU CG . 52972 1 743 . 1 . 1 84 84 LEU CD1 C 13 25.059 0.3 . 1 . . . . . 84 LEU CD1 . 52972 1 744 . 1 . 1 84 84 LEU CD2 C 13 22.535 0.3 . 1 . . . . . 84 LEU CD2 . 52972 1 745 . 1 . 1 84 84 LEU N N 15 116.814 0.3 . 1 . . . . . 84 LEU N . 52972 1 746 . 1 . 1 85 85 CYS H H 1 7.993 0.020 . 1 . . . . . 85 CYS H . 52972 1 747 . 1 . 1 85 85 CYS HA H 1 3.877 0.020 . 1 . . . . . 85 CYS HA . 52972 1 748 . 1 . 1 85 85 CYS HB2 H 1 2.646 0.020 . 1 . . . . . 85 CYS HB2 . 52972 1 749 . 1 . 1 85 85 CYS HB3 H 1 2.646 0.020 . 2 . . . . . 85 CYS HB3 . 52972 1 750 . 1 . 1 85 85 CYS C C 13 173.649 0.3 . 1 . . . . . 85 CYS C . 52972 1 751 . 1 . 1 85 85 CYS CA C 13 59.234 0.3 . 1 . . . . . 85 CYS CA . 52972 1 752 . 1 . 1 85 85 CYS CB C 13 39.350 0.3 . 1 . . . . . 85 CYS CB . 52972 1 753 . 1 . 1 85 85 CYS N N 15 121.039 0.3 . 1 . . . . . 85 CYS N . 52972 1 754 . 1 . 1 86 86 GLN H H 1 7.741 0.020 . 1 . . . . . 86 GLN H . 52972 1 755 . 1 . 1 86 86 GLN HA H 1 4.716 0.020 . 1 . . . . . 86 GLN HA . 52972 1 756 . 1 . 1 86 86 GLN HB2 H 1 1.797 0.020 . 2 . . . . . 86 GLN HB2 . 52972 1 757 . 1 . 1 86 86 GLN HB3 H 1 1.624 0.020 . 2 . . . . . 86 GLN HB3 . 52972 1 758 . 1 . 1 86 86 GLN HG2 H 1 2.251 0.020 . 2 . . . . . 86 GLN HG2 . 52972 1 759 . 1 . 1 86 86 GLN HG3 H 1 2.207 0.020 . 2 . . . . . 86 GLN HG3 . 52972 1 760 . 1 . 1 86 86 GLN HE21 H 1 7.435 0.020 . 1 . . . . . 86 GLN HE21 . 52972 1 761 . 1 . 1 86 86 GLN HE22 H 1 6.853 0.020 . 1 . . . . . 86 GLN HE22 . 52972 1 762 . 1 . 1 86 86 GLN CA C 13 52.239 0.3 . 1 . . . . . 86 GLN CA . 52972 1 763 . 1 . 1 86 86 GLN CB C 13 31.923 0.3 . 1 . . . . . 86 GLN CB . 52972 1 764 . 1 . 1 86 86 GLN CG C 13 32.426 0.3 . 1 . . . . . 86 GLN CG . 52972 1 765 . 1 . 1 86 86 GLN N N 15 116.084 0.3 . 1 . . . . . 86 GLN N . 52972 1 766 . 1 . 1 86 86 GLN NE2 N 15 111.269 0.3 . 1 . . . . . 86 GLN NE2 . 52972 1 767 . 1 . 1 89 89 SER HA H 1 6.388 0.020 . 1 . . . . . 89 SER HA . 52972 1 768 . 1 . 1 89 89 SER HB2 H 1 3.623 0.020 . 2 . . . . . 89 SER HB2 . 52972 1 769 . 1 . 1 89 89 SER HB3 H 1 4.101 0.020 . 2 . . . . . 89 SER HB3 . 52972 1 770 . 1 . 1 89 89 SER C C 13 174.889 0.3 . 1 . . . . . 89 SER C . 52972 1 771 . 1 . 1 89 89 SER CA C 13 55.784 0.3 . 1 . . . . . 89 SER CA . 52972 1 772 . 1 . 1 89 89 SER CB C 13 68.269 0.3 . 1 . . . . . 89 SER CB . 52972 1 773 . 1 . 1 90 90 LYS H H 1 9.082 0.020 . 1 . . . . . 90 LYS H . 52972 1 774 . 1 . 1 90 90 LYS HA H 1 5.260 0.020 . 1 . . . . . 90 LYS HA . 52972 1 775 . 1 . 1 90 90 LYS HB2 H 1 2.047 0.020 . 1 . . . . . 90 LYS HB2 . 52972 1 776 . 1 . 1 90 90 LYS HB3 H 1 1.931 0.020 . 2 . . . . . 90 LYS HB3 . 52972 1 777 . 1 . 1 90 90 LYS HG2 H 1 1.709 0.020 . 2 . . . . . 90 LYS HG2 . 52972 1 778 . 1 . 1 90 90 LYS HG3 H 1 1.390 0.020 . 2 . . . . . 90 LYS HG3 . 52972 1 779 . 1 . 1 90 90 LYS HD2 H 1 1.930 0.020 . 1 . . . . . 90 LYS HD2 . 52972 1 780 . 1 . 1 90 90 LYS HD3 H 1 1.930 0.020 . 1 . . . . . 90 LYS HD3 . 52972 1 781 . 1 . 1 90 90 LYS HE2 H 1 3.049 0.020 . 1 . . . . . 90 LYS HE2 . 52972 1 782 . 1 . 1 90 90 LYS HE3 H 1 3.049 0.020 . 1 . . . . . 90 LYS HE3 . 52972 1 783 . 1 . 1 90 90 LYS CA C 13 52.245 0.3 . 1 . . . . . 90 LYS CA . 52972 1 784 . 1 . 1 90 90 LYS CB C 13 34.916 0.3 . 1 . . . . . 90 LYS CB . 52972 1 785 . 1 . 1 90 90 LYS CG C 13 23.940 0.3 . 1 . . . . . 90 LYS CG . 52972 1 786 . 1 . 1 90 90 LYS CD C 13 28.343 0.3 . 1 . . . . . 90 LYS CD . 52972 1 787 . 1 . 1 90 90 LYS CE C 13 42.515 0.3 . 1 . . . . . 90 LYS CE . 52972 1 788 . 1 . 1 90 90 LYS N N 15 117.481 0.3 . 1 . . . . . 90 LYS N . 52972 1 789 . 1 . 1 93 93 VAL HA H 1 3.218 0.020 . 1 . . . . . 93 VAL HA . 52972 1 790 . 1 . 1 93 93 VAL HB H 1 1.873 0.020 . 1 . . . . . 93 VAL HB . 52972 1 791 . 1 . 1 93 93 VAL HG11 H 1 0.835 0.020 . 2 . . . . . 93 VAL HG1 . 52972 1 792 . 1 . 1 93 93 VAL HG12 H 1 0.835 0.020 . 2 . . . . . 93 VAL HG1 . 52972 1 793 . 1 . 1 93 93 VAL HG13 H 1 0.835 0.020 . 2 . . . . . 93 VAL HG1 . 52972 1 794 . 1 . 1 93 93 VAL HG21 H 1 0.654 0.020 . 2 . . . . . 93 VAL HG2 . 52972 1 795 . 1 . 1 93 93 VAL HG22 H 1 0.654 0.020 . 2 . . . . . 93 VAL HG2 . 52972 1 796 . 1 . 1 93 93 VAL HG23 H 1 0.654 0.020 . 2 . . . . . 93 VAL HG2 . 52972 1 797 . 1 . 1 93 93 VAL CA C 13 64.370 0.3 . 1 . . . . . 93 VAL CA . 52972 1 798 . 1 . 1 93 93 VAL CB C 13 32.566 0.3 . 1 . . . . . 93 VAL CB . 52972 1 799 . 1 . 1 93 93 VAL CG1 C 13 22.846 0.3 . 1 . . . . . 93 VAL CG1 . 52972 1 800 . 1 . 1 93 93 VAL CG2 C 13 21.134 0.3 . 1 . . . . . 93 VAL CG2 . 52972 1 801 . 1 . 1 97 97 CYS C C 13 174.686 0.3 . 1 . . . . . 97 CYS C . 52972 1 802 . 1 . 1 98 98 ASN H H 1 7.869 0.020 . 1 . . . . . 98 ASN H . 52972 1 803 . 1 . 1 98 98 ASN HA H 1 5.336 0.020 . 1 . . . . . 98 ASN HA . 52972 1 804 . 1 . 1 98 98 ASN HB2 H 1 3.232 0.020 . 2 . . . . . 98 ASN HB2 . 52972 1 805 . 1 . 1 98 98 ASN HB3 H 1 2.308 0.020 . 2 . . . . . 98 ASN HB3 . 52972 1 806 . 1 . 1 98 98 ASN C C 13 175.297 0.3 . 1 . . . . . 98 ASN C . 52972 1 807 . 1 . 1 98 98 ASN CA C 13 51.006 0.3 . 1 . . . . . 98 ASN CA . 52972 1 808 . 1 . 1 98 98 ASN CB C 13 38.414 0.3 . 1 . . . . . 98 ASN CB . 52972 1 809 . 1 . 1 98 98 ASN N N 15 118.303 0.3 . 1 . . . . . 98 ASN N . 52972 1 810 . 1 . 1 99 99 ARG H H 1 9.250 0.020 . 1 . . . . . 99 ARG H . 52972 1 811 . 1 . 1 99 99 ARG HA H 1 4.916 0.020 . 1 . . . . . 99 ARG HA . 52972 1 812 . 1 . 1 99 99 ARG HB2 H 1 1.936 0.020 . 2 . . . . . 99 ARG HB2 . 52972 1 813 . 1 . 1 99 99 ARG HB3 H 1 1.762 0.020 . 2 . . . . . 99 ARG HB3 . 52972 1 814 . 1 . 1 99 99 ARG HG2 H 1 1.609 0.020 . 2 . . . . . 99 ARG HG2 . 52972 1 815 . 1 . 1 99 99 ARG HG3 H 1 1.730 0.020 . 2 . . . . . 99 ARG HG3 . 52972 1 816 . 1 . 1 99 99 ARG HD2 H 1 3.298 0.020 . 1 . . . . . 99 ARG HD2 . 52972 1 817 . 1 . 1 99 99 ARG HD3 H 1 3.253 0.020 . 2 . . . . . 99 ARG HD3 . 52972 1 818 . 1 . 1 99 99 ARG CA C 13 53.752 0.3 . 1 . . . . . 99 ARG CA . 52972 1 819 . 1 . 1 99 99 ARG CB C 13 31.333 0.3 . 1 . . . . . 99 ARG CB . 52972 1 820 . 1 . 1 99 99 ARG CG C 13 26.483 0.3 . 1 . . . . . 99 ARG CG . 52972 1 821 . 1 . 1 99 99 ARG CD C 13 43.816 0.3 . 1 . . . . . 99 ARG CD . 52972 1 822 . 1 . 1 99 99 ARG N N 15 119.701 0.3 . 1 . . . . . 99 ARG N . 52972 1 823 . 1 . 1 100 100 PRO C C 13 175.116 0.3 . 1 . . . . . 100 PRO C . 52972 1 824 . 1 . 1 100 100 PRO CA C 13 64.837 0.3 . 1 . . . . . 100 PRO CA . 52972 1 825 . 1 . 1 101 101 SER H H 1 8.313 0.020 . 1 . . . . . 101 SER H . 52972 1 826 . 1 . 1 101 101 SER HA H 1 4.855 0.020 . 1 . . . . . 101 SER HA . 52972 1 827 . 1 . 1 101 101 SER HB2 H 1 3.575 0.020 . 2 . . . . . 101 SER HB2 . 52972 1 828 . 1 . 1 101 101 SER HB3 H 1 3.901 0.020 . 1 . . . . . 101 SER HB3 . 52972 1 829 . 1 . 1 101 101 SER CA C 13 55.842 0.3 . 1 . . . . . 101 SER CA . 52972 1 830 . 1 . 1 101 101 SER CB C 13 63.733 0.3 . 1 . . . . . 101 SER CB . 52972 1 831 . 1 . 1 101 101 SER N N 15 112.303 0.3 . 1 . . . . . 101 SER N . 52972 1 832 . 1 . 1 102 102 ALA HA H 1 4.196 0.020 . 1 . . . . . 102 ALA HA . 52972 1 833 . 1 . 1 102 102 ALA HB1 H 1 1.648 0.020 . 1 . . . . . 102 ALA HB . 52972 1 834 . 1 . 1 102 102 ALA HB2 H 1 1.648 0.020 . 1 . . . . . 102 ALA HB . 52972 1 835 . 1 . 1 102 102 ALA HB3 H 1 1.648 0.020 . 1 . . . . . 102 ALA HB . 52972 1 836 . 1 . 1 102 102 ALA CA C 13 53.365 0.3 . 1 . . . . . 102 ALA CA . 52972 1 837 . 1 . 1 102 102 ALA CB C 13 18.979 0.3 . 1 . . . . . 102 ALA CB . 52972 1 838 . 1 . 1 104 104 HIS C C 13 175.236 0.3 . 1 . . . . . 104 HIS C . 52972 1 839 . 1 . 1 104 104 HIS CA C 13 56.775 0.3 . 1 . . . . . 104 HIS CA . 52972 1 840 . 1 . 1 105 105 GLY H H 1 7.158 0.020 . 1 . . . . . 105 GLY H . 52972 1 841 . 1 . 1 105 105 GLY HA2 H 1 4.206 0.020 . 2 . . . . . 105 GLY HA2 . 52972 1 842 . 1 . 1 105 105 GLY HA3 H 1 3.233 0.020 . 2 . . . . . 105 GLY HA3 . 52972 1 843 . 1 . 1 105 105 GLY CA C 13 43.599 0.3 . 1 . . . . . 105 GLY CA . 52972 1 844 . 1 . 1 105 105 GLY N N 15 107.292 0.3 . 1 . . . . . 105 GLY N . 52972 1 845 . 1 . 1 110 110 SER HA H 1 5.473 0.020 . 1 . . . . . 110 SER HA . 52972 1 846 . 1 . 1 110 110 SER HB2 H 1 3.593 0.020 . 2 . . . . . 110 SER HB2 . 52972 1 847 . 1 . 1 110 110 SER HB3 H 1 3.407 0.020 . 2 . . . . . 110 SER HB3 . 52972 1 848 . 1 . 1 110 110 SER C C 13 173.197 0.3 . 1 . . . . . 110 SER C . 52972 1 849 . 1 . 1 110 110 SER CA C 13 57.048 0.3 . 1 . . . . . 110 SER CA . 52972 1 850 . 1 . 1 110 110 SER CB C 13 64.505 0.3 . 1 . . . . . 110 SER CB . 52972 1 851 . 1 . 1 111 111 GLU H H 1 9.206 0.020 . 1 . . . . . 111 GLU H . 52972 1 852 . 1 . 1 111 111 GLU HA H 1 4.706 0.020 . 1 . . . . . 111 GLU HA . 52972 1 853 . 1 . 1 111 111 GLU HB2 H 1 2.224 0.020 . 2 . . . . . 111 GLU HB2 . 52972 1 854 . 1 . 1 111 111 GLU HB3 H 1 2.083 0.020 . 2 . . . . . 111 GLU HB3 . 52972 1 855 . 1 . 1 111 111 GLU HG2 H 1 2.032 0.020 . 2 . . . . . 111 GLU HG2 . 52972 1 856 . 1 . 1 111 111 GLU HG3 H 1 1.857 0.020 . 2 . . . . . 111 GLU HG3 . 52972 1 857 . 1 . 1 111 111 GLU C C 13 174.213 0.3 . 1 . . . . . 111 GLU C . 52972 1 858 . 1 . 1 111 111 GLU CA C 13 54.289 0.3 . 1 . . . . . 111 GLU CA . 52972 1 859 . 1 . 1 111 111 GLU CB C 13 36.185 0.3 . 1 . . . . . 111 GLU CB . 52972 1 860 . 1 . 1 111 111 GLU CG C 13 34.953 0.3 . 1 . . . . . 111 GLU CG . 52972 1 861 . 1 . 1 111 111 GLU N N 15 128.889 0.3 . 1 . . . . . 111 GLU N . 52972 1 862 . 1 . 1 112 112 LYS H H 1 8.598 0.020 . 1 . . . . . 112 LYS H . 52972 1 863 . 1 . 1 112 112 LYS HA H 1 4.239 0.020 . 1 . . . . . 112 LYS HA . 52972 1 864 . 1 . 1 112 112 LYS HB2 H 1 1.274 0.020 . 2 . . . . . 112 LYS HB2 . 52972 1 865 . 1 . 1 112 112 LYS HB3 H 1 1.573 0.020 . 2 . . . . . 112 LYS HB3 . 52972 1 866 . 1 . 1 112 112 LYS HG2 H 1 1.124 0.020 . 1 . . . . . 112 LYS HG2 . 52972 1 867 . 1 . 1 112 112 LYS C C 13 174.942 0.3 . 1 . . . . . 112 LYS C . 52972 1 868 . 1 . 1 112 112 LYS CA C 13 54.884 0.3 . 1 . . . . . 112 LYS CA . 52972 1 869 . 1 . 1 112 112 LYS CB C 13 34.132 0.3 . 1 . . . . . 112 LYS CB . 52972 1 870 . 1 . 1 112 112 LYS CG C 13 24.879 0.3 . 1 . . . . . 112 LYS CG . 52972 1 871 . 1 . 1 112 112 LYS CD C 13 29.409 0.3 . 1 . . . . . 112 LYS CD . 52972 1 872 . 1 . 1 112 112 LYS N N 15 127.300 0.3 . 1 . . . . . 112 LYS N . 52972 1 873 . 1 . 1 113 113 PHE H H 1 8.166 0.020 . 1 . . . . . 113 PHE H . 52972 1 874 . 1 . 1 113 113 PHE HA H 1 4.349 0.020 . 1 . . . . . 113 PHE HA . 52972 1 875 . 1 . 1 113 113 PHE HB2 H 1 2.896 0.020 . 2 . . . . . 113 PHE HB2 . 52972 1 876 . 1 . 1 113 113 PHE HB3 H 1 3.124 0.020 . 1 . . . . . 113 PHE HB3 . 52972 1 877 . 1 . 1 113 113 PHE CA C 13 55.039 0.3 . 1 . . . . . 113 PHE CA . 52972 1 878 . 1 . 1 113 113 PHE CB C 13 37.469 0.3 . 1 . . . . . 113 PHE CB . 52972 1 879 . 1 . 1 113 113 PHE N N 15 124.033 0.3 . 1 . . . . . 113 PHE N . 52972 1 880 . 1 . 1 123 123 LYS HA H 1 4.235 0.020 . 1 . . . . . 123 LYS HA . 52972 1 881 . 1 . 1 123 123 LYS HB2 H 1 1.529 0.020 . 2 . . . . . 123 LYS HB2 . 52972 1 882 . 1 . 1 123 123 LYS HB3 H 1 1.073 0.020 . 2 . . . . . 123 LYS HB3 . 52972 1 883 . 1 . 1 123 123 LYS HG2 H 1 0.630 0.020 . 2 . . . . . 123 LYS HG2 . 52972 1 884 . 1 . 1 123 123 LYS HG3 H 1 1.260 0.020 . 2 . . . . . 123 LYS HG3 . 52972 1 885 . 1 . 1 123 123 LYS HD2 H 1 1.278 0.020 . 1 . . . . . 123 LYS HD2 . 52972 1 886 . 1 . 1 123 123 LYS HD3 H 1 1.278 0.020 . 1 . . . . . 123 LYS HD3 . 52972 1 887 . 1 . 1 123 123 LYS HE2 H 1 2.944 0.020 . 2 . . . . . 123 LYS HE2 . 52972 1 888 . 1 . 1 123 123 LYS HE3 H 1 3.558 0.020 . 2 . . . . . 123 LYS HE3 . 52972 1 889 . 1 . 1 123 123 LYS C C 13 176.260 0.3 . 1 . . . . . 123 LYS C . 52972 1 890 . 1 . 1 123 123 LYS CA C 13 61.824 0.3 . 1 . . . . . 123 LYS CA . 52972 1 891 . 1 . 1 123 123 LYS CB C 13 32.048 0.3 . 1 . . . . . 123 LYS CB . 52972 1 892 . 1 . 1 123 123 LYS CG C 13 25.502 0.3 . 1 . . . . . 123 LYS CG . 52972 1 893 . 1 . 1 123 123 LYS CE C 13 49.919 0.3 . 1 . . . . . 123 LYS CE . 52972 1 894 . 1 . 1 124 124 GLU H H 1 9.800 0.020 . 1 . . . . . 124 GLU H . 52972 1 895 . 1 . 1 124 124 GLU HA H 1 4.231 0.020 . 1 . . . . . 124 GLU HA . 52972 1 896 . 1 . 1 124 124 GLU HB2 H 1 2.021 0.020 . 2 . . . . . 124 GLU HB2 . 52972 1 897 . 1 . 1 124 124 GLU HB3 H 1 1.940 0.020 . 2 . . . . . 124 GLU HB3 . 52972 1 898 . 1 . 1 124 124 GLU HG3 H 1 2.226 0.020 . 1 . . . . . 124 GLU HG3 . 52972 1 899 . 1 . 1 124 124 GLU CA C 13 57.001 0.3 . 1 . . . . . 124 GLU CA . 52972 1 900 . 1 . 1 124 124 GLU CB C 13 29.991 0.3 . 1 . . . . . 124 GLU CB . 52972 1 901 . 1 . 1 124 124 GLU CG C 13 36.334 0.3 . 1 . . . . . 124 GLU CG . 52972 1 902 . 1 . 1 124 124 GLU N N 15 121.851 0.3 . 1 . . . . . 124 GLU N . 52972 1 903 . 1 . 1 125 125 PHE C C 13 174.001 0.3 . 1 . . . . . 125 PHE C . 52972 1 904 . 1 . 1 125 125 PHE CA C 13 56.985 0.3 . 1 . . . . . 125 PHE CA . 52972 1 905 . 1 . 1 126 126 LYS H H 1 8.289 0.020 . 1 . . . . . 126 LYS H . 52972 1 906 . 1 . 1 126 126 LYS HA H 1 4.477 0.020 . 1 . . . . . 126 LYS HA . 52972 1 907 . 1 . 1 126 126 LYS HB2 H 1 1.580 0.020 . 2 . . . . . 126 LYS HB2 . 52972 1 908 . 1 . 1 126 126 LYS HB3 H 1 1.092 0.020 . 2 . . . . . 126 LYS HB3 . 52972 1 909 . 1 . 1 126 126 LYS HG2 H 1 1.065 0.020 . 1 . . . . . 126 LYS HG2 . 52972 1 910 . 1 . 1 126 126 LYS HD2 H 1 1.360 0.020 . 2 . . . . . 126 LYS HD2 . 52972 1 911 . 1 . 1 126 126 LYS HD3 H 1 1.261 0.020 . 1 . . . . . 126 LYS HD3 . 52972 1 912 . 1 . 1 126 126 LYS HE2 H 1 2.628 0.020 . 2 . . . . . 126 LYS HE2 . 52972 1 913 . 1 . 1 126 126 LYS HE3 H 1 2.701 0.020 . 2 . . . . . 126 LYS HE3 . 52972 1 914 . 1 . 1 126 126 LYS C C 13 175.507 0.3 . 1 . . . . . 126 LYS C . 52972 1 915 . 1 . 1 126 126 LYS CA C 13 54.942 0.3 . 1 . . . . . 126 LYS CA . 52972 1 916 . 1 . 1 126 126 LYS CB C 13 36.240 0.3 . 1 . . . . . 126 LYS CB . 52972 1 917 . 1 . 1 126 126 LYS CG C 13 24.881 0.3 . 1 . . . . . 126 LYS CG . 52972 1 918 . 1 . 1 126 126 LYS CD C 13 29.308 0.3 . 1 . . . . . 126 LYS CD . 52972 1 919 . 1 . 1 126 126 LYS CE C 13 41.972 0.3 . 1 . . . . . 126 LYS CE . 52972 1 920 . 1 . 1 126 126 LYS N N 15 118.317 0.3 . 1 . . . . . 126 LYS N . 52972 1 921 . 1 . 1 127 127 GLU H H 1 9.024 0.020 . 1 . . . . . 127 GLU H . 52972 1 922 . 1 . 1 127 127 GLU HA H 1 3.899 0.020 . 1 . . . . . 127 GLU HA . 52972 1 923 . 1 . 1 127 127 GLU HB3 H 1 2.025 0.020 . 1 . . . . . 127 GLU HB3 . 52972 1 924 . 1 . 1 127 127 GLU HG2 H 1 2.365 0.020 . 1 . . . . . 127 GLU HG2 . 52972 1 925 . 1 . 1 127 127 GLU HG3 H 1 2.365 0.020 . 1 . . . . . 127 GLU HG3 . 52972 1 926 . 1 . 1 127 127 GLU C C 13 178.164 0.3 . 1 . . . . . 127 GLU C . 52972 1 927 . 1 . 1 127 127 GLU CA C 13 57.765 0.3 . 1 . . . . . 127 GLU CA . 52972 1 928 . 1 . 1 127 127 GLU CB C 13 30.031 0.3 . 1 . . . . . 127 GLU CB . 52972 1 929 . 1 . 1 127 127 GLU CG C 13 37.101 0.3 . 1 . . . . . 127 GLU CG . 52972 1 930 . 1 . 1 127 127 GLU N N 15 119.378 0.3 . 1 . . . . . 127 GLU N . 52972 1 931 . 1 . 1 128 128 GLY H H 1 8.376 0.020 . 1 . . . . . 128 GLY H . 52972 1 932 . 1 . 1 128 128 GLY HA2 H 1 3.790 0.020 . 2 . . . . . 128 GLY HA2 . 52972 1 933 . 1 . 1 128 128 GLY HA3 H 1 4.178 0.020 . 2 . . . . . 128 GLY HA3 . 52972 1 934 . 1 . 1 128 128 GLY C C 13 173.859 0.3 . 1 . . . . . 128 GLY C . 52972 1 935 . 1 . 1 128 128 GLY CA C 13 45.826 0.3 . 1 . . . . . 128 GLY CA . 52972 1 936 . 1 . 1 128 128 GLY N N 15 111.762 0.3 . 1 . . . . . 128 GLY N . 52972 1 937 . 1 . 1 129 129 HIS H H 1 7.784 0.020 . 1 . . . . . 129 HIS H . 52972 1 938 . 1 . 1 129 129 HIS HA H 1 4.585 0.020 . 1 . . . . . 129 HIS HA . 52972 1 939 . 1 . 1 129 129 HIS HB2 H 1 2.856 0.020 . 2 . . . . . 129 HIS HB2 . 52972 1 940 . 1 . 1 129 129 HIS HB3 H 1 3.460 0.020 . 2 . . . . . 129 HIS HB3 . 52972 1 941 . 1 . 1 129 129 HIS C C 13 173.656 0.3 . 1 . . . . . 129 HIS C . 52972 1 942 . 1 . 1 129 129 HIS CA C 13 55.923 0.3 . 1 . . . . . 129 HIS CA . 52972 1 943 . 1 . 1 129 129 HIS CB C 13 33.004 0.3 . 1 . . . . . 129 HIS CB . 52972 1 944 . 1 . 1 129 129 HIS N N 15 119.938 0.3 . 1 . . . . . 129 HIS N . 52972 1 945 . 1 . 1 130 130 SER H H 1 7.839 0.020 . 1 . . . . . 130 SER H . 52972 1 946 . 1 . 1 130 130 SER HA H 1 5.479 0.020 . 1 . . . . . 130 SER HA . 52972 1 947 . 1 . 1 130 130 SER HB2 H 1 3.236 0.020 . 2 . . . . . 130 SER HB2 . 52972 1 948 . 1 . 1 130 130 SER HB3 H 1 2.943 0.020 . 2 . . . . . 130 SER HB3 . 52972 1 949 . 1 . 1 130 130 SER C C 13 180.270 0.3 . 1 . . . . . 130 SER C . 52972 1 950 . 1 . 1 130 130 SER CA C 13 57.405 0.3 . 1 . . . . . 130 SER CA . 52972 1 951 . 1 . 1 130 130 SER CB C 13 65.308 0.3 . 1 . . . . . 130 SER CB . 52972 1 952 . 1 . 1 130 130 SER N N 15 113.603 0.3 . 1 . . . . . 130 SER N . 52972 1 953 . 1 . 1 131 131 TYR H H 1 9.041 0.020 . 1 . . . . . 131 TYR H . 52972 1 954 . 1 . 1 131 131 TYR HA H 1 4.317 0.020 . 1 . . . . . 131 TYR HA . 52972 1 955 . 1 . 1 131 131 TYR HB2 H 1 3.123 0.020 . 2 . . . . . 131 TYR HB2 . 52972 1 956 . 1 . 1 131 131 TYR HB3 H 1 2.406 0.020 . 2 . . . . . 131 TYR HB3 . 52972 1 957 . 1 . 1 131 131 TYR C C 13 173.107 0.3 . 1 . . . . . 131 TYR C . 52972 1 958 . 1 . 1 131 131 TYR CA C 13 57.647 0.3 . 1 . . . . . 131 TYR CA . 52972 1 959 . 1 . 1 131 131 TYR CB C 13 41.676 0.3 . 1 . . . . . 131 TYR CB . 52972 1 960 . 1 . 1 131 131 TYR N N 15 121.468 0.3 . 1 . . . . . 131 TYR N . 52972 1 961 . 1 . 1 132 132 TYR H H 1 7.385 0.020 . 1 . . . . . 132 TYR H . 52972 1 962 . 1 . 1 132 132 TYR HA H 1 5.315 0.020 . 1 . . . . . 132 TYR HA . 52972 1 963 . 1 . 1 132 132 TYR HB2 H 1 2.958 0.020 . 2 . . . . . 132 TYR HB2 . 52972 1 964 . 1 . 1 132 132 TYR HB3 H 1 2.682 0.020 . 2 . . . . . 132 TYR HB3 . 52972 1 965 . 1 . 1 132 132 TYR HD1 H 1 6.231 0.020 . 1 . . . . . 132 TYR HD1 . 52972 1 966 . 1 . 1 132 132 TYR HD2 H 1 6.231 0.020 . 1 . . . . . 132 TYR HD2 . 52972 1 967 . 1 . 1 132 132 TYR C C 13 173.310 0.3 . 1 . . . . . 132 TYR C . 52972 1 968 . 1 . 1 132 132 TYR CA C 13 57.138 0.3 . 1 . . . . . 132 TYR CA . 52972 1 969 . 1 . 1 132 132 TYR CB C 13 40.733 0.3 . 1 . . . . . 132 TYR CB . 52972 1 970 . 1 . 1 132 132 TYR N N 15 117.595 0.3 . 1 . . . . . 132 TYR N . 52972 1 971 . 1 . 1 133 133 TYR H H 1 9.643 0.020 . 1 . . . . . 133 TYR H . 52972 1 972 . 1 . 1 133 133 TYR HA H 1 6.140 0.020 . 1 . . . . . 133 TYR HA . 52972 1 973 . 1 . 1 133 133 TYR HB2 H 1 2.864 0.020 . 2 . . . . . 133 TYR HB2 . 52972 1 974 . 1 . 1 133 133 TYR HB3 H 1 3.087 0.020 . 2 . . . . . 133 TYR HB3 . 52972 1 975 . 1 . 1 133 133 TYR HD1 H 1 6.823 0.020 . 1 . . . . . 133 TYR HD1 . 52972 1 976 . 1 . 1 133 133 TYR HD2 H 1 6.823 0.020 . 1 . . . . . 133 TYR HD2 . 52972 1 977 . 1 . 1 133 133 TYR C C 13 177.321 0.3 . 1 . . . . . 133 TYR C . 52972 1 978 . 1 . 1 133 133 TYR CA C 13 56.291 0.3 . 1 . . . . . 133 TYR CA . 52972 1 979 . 1 . 1 133 133 TYR CB C 13 42.436 0.3 . 1 . . . . . 133 TYR CB . 52972 1 980 . 1 . 1 133 133 TYR N N 15 120.377 0.3 . 1 . . . . . 133 TYR N . 52972 1 981 . 1 . 1 134 134 ILE H H 1 8.954 0.020 . 1 . . . . . 134 ILE H . 52972 1 982 . 1 . 1 134 134 ILE HA H 1 5.806 0.020 . 1 . . . . . 134 ILE HA . 52972 1 983 . 1 . 1 134 134 ILE HB H 1 2.221 0.020 . 1 . . . . . 134 ILE HB . 52972 1 984 . 1 . 1 134 134 ILE HG12 H 1 1.091 0.020 . 2 . . . . . 134 ILE HG12 . 52972 1 985 . 1 . 1 134 134 ILE HG13 H 1 1.408 0.020 . 2 . . . . . 134 ILE HG13 . 52972 1 986 . 1 . 1 134 134 ILE HG21 H 1 1.214 0.020 . 1 . . . . . 134 ILE HG2 . 52972 1 987 . 1 . 1 134 134 ILE HG22 H 1 1.214 0.020 . 1 . . . . . 134 ILE HG2 . 52972 1 988 . 1 . 1 134 134 ILE HG23 H 1 1.214 0.020 . 1 . . . . . 134 ILE HG2 . 52972 1 989 . 1 . 1 134 134 ILE HD11 H 1 0.426 0.020 . 1 . . . . . 134 ILE HD1 . 52972 1 990 . 1 . 1 134 134 ILE HD12 H 1 0.426 0.020 . 1 . . . . . 134 ILE HD1 . 52972 1 991 . 1 . 1 134 134 ILE HD13 H 1 0.426 0.020 . 1 . . . . . 134 ILE HD1 . 52972 1 992 . 1 . 1 134 134 ILE C C 13 174.281 0.3 . 1 . . . . . 134 ILE C . 52972 1 993 . 1 . 1 134 134 ILE CA C 13 59.381 0.3 . 1 . . . . . 134 ILE CA . 52972 1 994 . 1 . 1 134 134 ILE CB C 13 42.753 0.3 . 1 . . . . . 134 ILE CB . 52972 1 995 . 1 . 1 134 134 ILE CG1 C 13 25.786 0.3 . 1 . . . . . 134 ILE CG1 . 52972 1 996 . 1 . 1 134 134 ILE CG2 C 13 19.033 0.3 . 1 . . . . . 134 ILE CG2 . 52972 1 997 . 1 . 1 134 134 ILE CD1 C 13 14.168 0.3 . 1 . . . . . 134 ILE CD1 . 52972 1 998 . 1 . 1 134 134 ILE N N 15 111.882 0.3 . 1 . . . . . 134 ILE N . 52972 1 999 . 1 . 1 135 135 SER H H 1 8.324 0.020 . 1 . . . . . 135 SER H . 52972 1 1000 . 1 . 1 135 135 SER HA H 1 4.863 0.020 . 1 . . . . . 135 SER HA . 52972 1 1001 . 1 . 1 135 135 SER HB2 H 1 3.498 0.020 . 2 . . . . . 135 SER HB2 . 52972 1 1002 . 1 . 1 135 135 SER HB3 H 1 3.780 0.020 . 2 . . . . . 135 SER HB3 . 52972 1 1003 . 1 . 1 135 135 SER CA C 13 55.652 0.3 . 1 . . . . . 135 SER CA . 52972 1 1004 . 1 . 1 135 135 SER CB C 13 64.312 0.3 . 1 . . . . . 135 SER CB . 52972 1 1005 . 1 . 1 135 135 SER N N 15 112.055 0.3 . 1 . . . . . 135 SER N . 52972 1 1006 . 1 . 1 137 137 PRO HA H 1 5.051 0.020 . 1 . . . . . 137 PRO HA . 52972 1 1007 . 1 . 1 137 137 PRO HB2 H 1 2.209 0.020 . 2 . . . . . 137 PRO HB2 . 52972 1 1008 . 1 . 1 137 137 PRO HB3 H 1 1.851 0.020 . 2 . . . . . 137 PRO HB3 . 52972 1 1009 . 1 . 1 137 137 PRO HG2 H 1 2.065 0.020 . 2 . . . . . 137 PRO HG2 . 52972 1 1010 . 1 . 1 137 137 PRO HG3 H 1 1.937 0.020 . 2 . . . . . 137 PRO HG3 . 52972 1 1011 . 1 . 1 137 137 PRO HD2 H 1 3.545 0.020 . 1 . . . . . 137 PRO HD2 . 52972 1 1012 . 1 . 1 137 137 PRO HD3 H 1 3.545 0.020 . 2 . . . . . 137 PRO HD3 . 52972 1 1013 . 1 . 1 137 137 PRO C C 13 176.832 0.3 . 1 . . . . . 137 PRO C . 52972 1 1014 . 1 . 1 137 137 PRO CA C 13 62.002 0.3 . 1 . . . . . 137 PRO CA . 52972 1 1015 . 1 . 1 137 137 PRO CB C 13 32.478 0.3 . 1 . . . . . 137 PRO CB . 52972 1 1016 . 1 . 1 137 137 PRO CG C 13 27.383 0.3 . 1 . . . . . 137 PRO CG . 52972 1 1017 . 1 . 1 137 137 PRO CD C 13 50.605 0.3 . 1 . . . . . 137 PRO CD . 52972 1 1018 . 1 . 1 138 138 ILE H H 1 7.703 0.020 . 1 . . . . . 138 ILE H . 52972 1 1019 . 1 . 1 138 138 ILE HA H 1 3.910 0.020 . 1 . . . . . 138 ILE HA . 52972 1 1020 . 1 . 1 138 138 ILE HB H 1 1.344 0.020 . 1 . . . . . 138 ILE HB . 52972 1 1021 . 1 . 1 138 138 ILE HG12 H 1 1.336 0.020 . 2 . . . . . 138 ILE HG12 . 52972 1 1022 . 1 . 1 138 138 ILE HG13 H 1 0.917 0.020 . 2 . . . . . 138 ILE HG13 . 52972 1 1023 . 1 . 1 138 138 ILE HG21 H 1 0.548 0.020 . 1 . . . . . 138 ILE HG2 . 52972 1 1024 . 1 . 1 138 138 ILE HG22 H 1 0.548 0.020 . 1 . . . . . 138 ILE HG2 . 52972 1 1025 . 1 . 1 138 138 ILE HG23 H 1 0.548 0.020 . 1 . . . . . 138 ILE HG2 . 52972 1 1026 . 1 . 1 138 138 ILE HD11 H 1 0.745 0.020 . 1 . . . . . 138 ILE HD1 . 52972 1 1027 . 1 . 1 138 138 ILE HD12 H 1 0.745 0.020 . 1 . . . . . 138 ILE HD1 . 52972 1 1028 . 1 . 1 138 138 ILE HD13 H 1 0.745 0.020 . 1 . . . . . 138 ILE HD1 . 52972 1 1029 . 1 . 1 138 138 ILE C C 13 176.854 0.3 . 1 . . . . . 138 ILE C . 52972 1 1030 . 1 . 1 138 138 ILE CA C 13 63.267 0.3 . 1 . . . . . 138 ILE CA . 52972 1 1031 . 1 . 1 138 138 ILE CB C 13 39.015 0.3 . 1 . . . . . 138 ILE CB . 52972 1 1032 . 1 . 1 138 138 ILE CG1 C 13 28.789 0.3 . 1 . . . . . 138 ILE CG1 . 52972 1 1033 . 1 . 1 138 138 ILE CG2 C 13 16.379 0.3 . 1 . . . . . 138 ILE CG2 . 52972 1 1034 . 1 . 1 138 138 ILE CD1 C 13 12.843 0.3 . 1 . . . . . 138 ILE CD1 . 52972 1 1035 . 1 . 1 138 138 ILE N N 15 120.381 0.3 . 1 . . . . . 138 ILE N . 52972 1 1036 . 1 . 1 139 139 HIS H H 1 8.689 0.020 . 1 . . . . . 139 HIS H . 52972 1 1037 . 1 . 1 139 139 HIS HA H 1 4.664 0.020 . 1 . . . . . 139 HIS HA . 52972 1 1038 . 1 . 1 139 139 HIS HB2 H 1 3.136 0.020 . 2 . . . . . 139 HIS HB2 . 52972 1 1039 . 1 . 1 139 139 HIS HB3 H 1 3.014 0.020 . 2 . . . . . 139 HIS HB3 . 52972 1 1040 . 1 . 1 139 139 HIS C C 13 175.327 0.3 . 1 . . . . . 139 HIS C . 52972 1 1041 . 1 . 1 139 139 HIS CA C 13 56.579 0.3 . 1 . . . . . 139 HIS CA . 52972 1 1042 . 1 . 1 139 139 HIS CB C 13 31.708 0.3 . 1 . . . . . 139 HIS CB . 52972 1 1043 . 1 . 1 139 139 HIS N N 15 117.681 0.3 . 1 . . . . . 139 HIS N . 52972 1 1044 . 1 . 1 140 140 GLN H H 1 7.941 0.020 . 1 . . . . . 140 GLN H . 52972 1 1045 . 1 . 1 140 140 GLN HA H 1 4.731 0.020 . 1 . . . . . 140 GLN HA . 52972 1 1046 . 1 . 1 140 140 GLN HB2 H 1 1.856 0.020 . 1 . . . . . 140 GLN HB2 . 52972 1 1047 . 1 . 1 140 140 GLN HB3 H 1 1.856 0.020 . 1 . . . . . 140 GLN HB3 . 52972 1 1048 . 1 . 1 140 140 GLN HG2 H 1 2.207 0.020 . 1 . . . . . 140 GLN HG2 . 52972 1 1049 . 1 . 1 140 140 GLN HG3 H 1 2.207 0.020 . 1 . . . . . 140 GLN HG3 . 52972 1 1050 . 1 . 1 140 140 GLN HE21 H 1 6.664 0.020 . 1 . . . . . 140 GLN HE21 . 52972 1 1051 . 1 . 1 140 140 GLN HE22 H 1 7.546 0.020 . 1 . . . . . 140 GLN HE22 . 52972 1 1052 . 1 . 1 140 140 GLN CA C 13 55.616 0.3 . 1 . . . . . 140 GLN CA . 52972 1 1053 . 1 . 1 140 140 GLN CB C 13 29.956 0.3 . 1 . . . . . 140 GLN CB . 52972 1 1054 . 1 . 1 140 140 GLN CG C 13 36.132 0.3 . 1 . . . . . 140 GLN CG . 52972 1 1055 . 1 . 1 140 140 GLN N N 15 117.156 0.3 . 1 . . . . . 140 GLN N . 52972 1 1056 . 1 . 1 140 140 GLN NE2 N 15 110.675 0.3 . 1 . . . . . 140 GLN NE2 . 52972 1 1057 . 1 . 1 143 143 ASP H H 1 8.613 0.020 . 1 . . . . . 143 ASP H . 52972 1 1058 . 1 . 1 143 143 ASP HA H 1 4.652 0.020 . 1 . . . . . 143 ASP HA . 52972 1 1059 . 1 . 1 143 143 ASP HB2 H 1 2.710 0.020 . 1 . . . . . 143 ASP HB2 . 52972 1 1060 . 1 . 1 143 143 ASP HB3 H 1 2.710 0.020 . 1 . . . . . 143 ASP HB3 . 52972 1 1061 . 1 . 1 143 143 ASP C C 13 175.673 0.3 . 1 . . . . . 143 ASP C . 52972 1 1062 . 1 . 1 143 143 ASP CA C 13 54.563 0.3 . 1 . . . . . 143 ASP CA . 52972 1 1063 . 1 . 1 143 143 ASP CB C 13 41.248 0.3 . 1 . . . . . 143 ASP CB . 52972 1 1064 . 1 . 1 143 143 ASP N N 15 124.127 0.3 . 1 . . . . . 143 ASP N . 52972 1 1065 . 1 . 1 144 144 ARG H H 1 7.948 0.020 . 1 . . . . . 144 ARG H . 52972 1 1066 . 1 . 1 144 144 ARG HA H 1 4.368 0.020 . 1 . . . . . 144 ARG HA . 52972 1 1067 . 1 . 1 144 144 ARG HB2 H 1 1.765 0.020 . 2 . . . . . 144 ARG HB2 . 52972 1 1068 . 1 . 1 144 144 ARG HB3 H 1 1.822 0.020 . 2 . . . . . 144 ARG HB3 . 52972 1 1069 . 1 . 1 144 144 ARG HG2 H 1 1.557 0.020 . 2 . . . . . 144 ARG HG2 . 52972 1 1070 . 1 . 1 144 144 ARG HG3 H 1 1.494 0.020 . 2 . . . . . 144 ARG HG3 . 52972 1 1071 . 1 . 1 144 144 ARG HD2 H 1 3.187 0.020 . 1 . . . . . 144 ARG HD2 . 52972 1 1072 . 1 . 1 144 144 ARG HD3 H 1 3.187 0.020 . 1 . . . . . 144 ARG HD3 . 52972 1 1073 . 1 . 1 144 144 ARG C C 13 174.349 0.3 . 1 . . . . . 144 ARG C . 52972 1 1074 . 1 . 1 144 144 ARG CA C 13 55.267 0.3 . 1 . . . . . 144 ARG CA . 52972 1 1075 . 1 . 1 144 144 ARG CB C 13 31.519 0.3 . 1 . . . . . 144 ARG CB . 52972 1 1076 . 1 . 1 144 144 ARG CG C 13 26.332 0.3 . 1 . . . . . 144 ARG CG . 52972 1 1077 . 1 . 1 144 144 ARG CD C 13 43.228 0.3 . 1 . . . . . 144 ARG CD . 52972 1 1078 . 1 . 1 144 144 ARG N N 15 118.838 0.3 . 1 . . . . . 144 ARG N . 52972 1 1079 . 1 . 1 145 145 CYS H H 1 8.710 0.020 . 1 . . . . . 145 CYS H . 52972 1 1080 . 1 . 1 145 145 CYS HA H 1 4.951 0.020 . 1 . . . . . 145 CYS HA . 52972 1 1081 . 1 . 1 145 145 CYS HB2 H 1 3.238 0.020 . 2 . . . . . 145 CYS HB2 . 52972 1 1082 . 1 . 1 145 145 CYS HB3 H 1 3.299 0.020 . 2 . . . . . 145 CYS HB3 . 52972 1 1083 . 1 . 1 145 145 CYS CA C 13 56.138 0.3 . 1 . . . . . 145 CYS CA . 52972 1 1084 . 1 . 1 145 145 CYS CB C 13 43.515 0.3 . 1 . . . . . 145 CYS CB . 52972 1 1085 . 1 . 1 145 145 CYS N N 15 122.022 0.3 . 1 . . . . . 145 CYS N . 52972 1 1086 . 1 . 1 146 146 LEU HA H 1 4.323 0.020 . 1 . . . . . 146 LEU HA . 52972 1 1087 . 1 . 1 146 146 LEU HB2 H 1 1.797 0.020 . 2 . . . . . 146 LEU HB2 . 52972 1 1088 . 1 . 1 146 146 LEU HB3 H 1 -0.102 0.020 . 2 . . . . . 146 LEU HB3 . 52972 1 1089 . 1 . 1 146 146 LEU HG H 1 1.201 0.020 . 1 . . . . . 146 LEU HG . 52972 1 1090 . 1 . 1 146 146 LEU HD11 H 1 -0.045 0.020 . 2 . . . . . 146 LEU HD1 . 52972 1 1091 . 1 . 1 146 146 LEU HD12 H 1 -0.045 0.020 . 2 . . . . . 146 LEU HD1 . 52972 1 1092 . 1 . 1 146 146 LEU HD13 H 1 -0.045 0.020 . 2 . . . . . 146 LEU HD1 . 52972 1 1093 . 1 . 1 146 146 LEU HD21 H 1 0.041 0.020 . 2 . . . . . 146 LEU HD2 . 52972 1 1094 . 1 . 1 146 146 LEU HD22 H 1 0.041 0.020 . 2 . . . . . 146 LEU HD2 . 52972 1 1095 . 1 . 1 146 146 LEU HD23 H 1 0.041 0.020 . 2 . . . . . 146 LEU HD2 . 52972 1 1096 . 1 . 1 146 146 LEU C C 13 173.874 0.3 . 1 . . . . . 146 LEU C . 52972 1 1097 . 1 . 1 146 146 LEU CA C 13 55.275 0.3 . 1 . . . . . 146 LEU CA . 52972 1 1098 . 1 . 1 146 146 LEU CB C 13 39.254 0.3 . 1 . . . . . 146 LEU CB . 52972 1 1099 . 1 . 1 146 146 LEU CG C 13 26.655 0.3 . 1 . . . . . 146 LEU CG . 52972 1 1100 . 1 . 1 146 146 LEU CD1 C 13 22.434 0.3 . 1 . . . . . 146 LEU CD1 . 52972 1 1101 . 1 . 1 146 146 LEU CD2 C 13 24.245 0.3 . 1 . . . . . 146 LEU CD2 . 52972 1 1102 . 1 . 1 147 147 ARG H H 1 7.410 0.020 . 1 . . . . . 147 ARG H . 52972 1 1103 . 1 . 1 147 147 ARG HA H 1 5.797 0.020 . 1 . . . . . 147 ARG HA . 52972 1 1104 . 1 . 1 147 147 ARG HB2 H 1 2.007 0.020 . 2 . . . . . 147 ARG HB2 . 52972 1 1105 . 1 . 1 147 147 ARG HB3 H 1 2.043 0.020 . 2 . . . . . 147 ARG HB3 . 52972 1 1106 . 1 . 1 147 147 ARG HG2 H 1 1.802 0.020 . 2 . . . . . 147 ARG HG2 . 52972 1 1107 . 1 . 1 147 147 ARG HG3 H 1 1.190 0.020 . 2 . . . . . 147 ARG HG3 . 52972 1 1108 . 1 . 1 147 147 ARG C C 13 172.987 0.3 . 1 . . . . . 147 ARG C . 52972 1 1109 . 1 . 1 147 147 ARG CA C 13 54.072 0.3 . 1 . . . . . 147 ARG CA . 52972 1 1110 . 1 . 1 147 147 ARG CB C 13 34.634 0.3 . 1 . . . . . 147 ARG CB . 52972 1 1111 . 1 . 1 147 147 ARG CG C 13 24.784 0.3 . 1 . . . . . 147 ARG CG . 52972 1 1112 . 1 . 1 147 147 ARG CD C 13 50.236 0.3 . 1 . . . . . 147 ARG CD . 52972 1 1113 . 1 . 1 147 147 ARG N N 15 116.934 0.3 . 1 . . . . . 147 ARG N . 52972 1 1114 . 1 . 1 148 148 LEU H H 1 9.803 0.020 . 1 . . . . . 148 LEU H . 52972 1 1115 . 1 . 1 148 148 LEU HA H 1 4.833 0.020 . 1 . . . . . 148 LEU HA . 52972 1 1116 . 1 . 1 148 148 LEU HB2 H 1 2.055 0.020 . 2 . . . . . 148 LEU HB2 . 52972 1 1117 . 1 . 1 148 148 LEU HB3 H 1 1.527 0.020 . 2 . . . . . 148 LEU HB3 . 52972 1 1118 . 1 . 1 148 148 LEU HG H 1 1.284 0.020 . 1 . . . . . 148 LEU HG . 52972 1 1119 . 1 . 1 148 148 LEU HD11 H 1 0.650 0.020 . 2 . . . . . 148 LEU HD1 . 52972 1 1120 . 1 . 1 148 148 LEU HD12 H 1 0.650 0.020 . 2 . . . . . 148 LEU HD1 . 52972 1 1121 . 1 . 1 148 148 LEU HD13 H 1 0.650 0.020 . 2 . . . . . 148 LEU HD1 . 52972 1 1122 . 1 . 1 148 148 LEU HD21 H 1 -0.082 0.020 . 2 . . . . . 148 LEU HD2 . 52972 1 1123 . 1 . 1 148 148 LEU HD22 H 1 -0.082 0.020 . 2 . . . . . 148 LEU HD2 . 52972 1 1124 . 1 . 1 148 148 LEU HD23 H 1 -0.082 0.020 . 2 . . . . . 148 LEU HD2 . 52972 1 1125 . 1 . 1 148 148 LEU C C 13 172.972 0.3 . 1 . . . . . 148 LEU C . 52972 1 1126 . 1 . 1 148 148 LEU CA C 13 54.923 0.3 . 1 . . . . . 148 LEU CA . 52972 1 1127 . 1 . 1 148 148 LEU CB C 13 48.819 0.3 . 1 . . . . . 148 LEU CB . 52972 1 1128 . 1 . 1 148 148 LEU CG C 13 27.453 0.3 . 1 . . . . . 148 LEU CG . 52972 1 1129 . 1 . 1 148 148 LEU CD1 C 13 26.810 0.3 . 1 . . . . . 148 LEU CD1 . 52972 1 1130 . 1 . 1 148 148 LEU CD2 C 13 21.771 0.3 . 1 . . . . . 148 LEU CD2 . 52972 1 1131 . 1 . 1 148 148 LEU N N 15 122.224 0.3 . 1 . . . . . 148 LEU N . 52972 1 1132 . 1 . 1 149 149 LYS H H 1 8.181 0.020 . 1 . . . . . 149 LYS H . 52972 1 1133 . 1 . 1 149 149 LYS HA H 1 4.914 0.020 . 1 . . . . . 149 LYS HA . 52972 1 1134 . 1 . 1 149 149 LYS HB2 H 1 1.474 0.020 . 1 . . . . . 149 LYS HB2 . 52972 1 1135 . 1 . 1 149 149 LYS HB3 H 1 1.474 0.020 . 1 . . . . . 149 LYS HB3 . 52972 1 1136 . 1 . 1 149 149 LYS HG2 H 1 0.844 0.020 . 2 . . . . . 149 LYS HG2 . 52972 1 1137 . 1 . 1 149 149 LYS HG3 H 1 1.280 0.020 . 2 . . . . . 149 LYS HG3 . 52972 1 1138 . 1 . 1 149 149 LYS HD2 H 1 1.536 0.020 . 1 . . . . . 149 LYS HD2 . 52972 1 1139 . 1 . 1 149 149 LYS HD3 H 1 1.536 0.020 . 1 . . . . . 149 LYS HD3 . 52972 1 1140 . 1 . 1 149 149 LYS HE2 H 1 2.754 0.020 . 1 . . . . . 149 LYS HE2 . 52972 1 1141 . 1 . 1 149 149 LYS HE3 H 1 2.754 0.020 . 1 . . . . . 149 LYS HE3 . 52972 1 1142 . 1 . 1 149 149 LYS C C 13 173.724 0.3 . 1 . . . . . 149 LYS C . 52972 1 1143 . 1 . 1 149 149 LYS CA C 13 54.350 0.3 . 1 . . . . . 149 LYS CA . 52972 1 1144 . 1 . 1 149 149 LYS CB C 13 34.797 0.3 . 1 . . . . . 149 LYS CB . 52972 1 1145 . 1 . 1 149 149 LYS CG C 13 24.673 0.3 . 1 . . . . . 149 LYS CG . 52972 1 1146 . 1 . 1 149 149 LYS CD C 13 29.894 0.3 . 1 . . . . . 149 LYS CD . 52972 1 1147 . 1 . 1 149 149 LYS CE C 13 41.795 0.3 . 1 . . . . . 149 LYS CE . 52972 1 1148 . 1 . 1 149 149 LYS N N 15 127.923 0.3 . 1 . . . . . 149 LYS N . 52972 1 1149 . 1 . 1 150 150 VAL H H 1 9.140 0.020 . 1 . . . . . 150 VAL H . 52972 1 1150 . 1 . 1 150 150 VAL HA H 1 4.577 0.020 . 1 . . . . . 150 VAL HA . 52972 1 1151 . 1 . 1 150 150 VAL HB H 1 1.731 0.020 . 1 . . . . . 150 VAL HB . 52972 1 1152 . 1 . 1 150 150 VAL HG11 H 1 -0.038 0.020 . 2 . . . . . 150 VAL HG1 . 52972 1 1153 . 1 . 1 150 150 VAL HG12 H 1 -0.038 0.020 . 2 . . . . . 150 VAL HG1 . 52972 1 1154 . 1 . 1 150 150 VAL HG13 H 1 -0.038 0.020 . 2 . . . . . 150 VAL HG1 . 52972 1 1155 . 1 . 1 150 150 VAL HG21 H 1 0.706 0.020 . 2 . . . . . 150 VAL HG2 . 52972 1 1156 . 1 . 1 150 150 VAL HG22 H 1 0.706 0.020 . 2 . . . . . 150 VAL HG2 . 52972 1 1157 . 1 . 1 150 150 VAL HG23 H 1 0.706 0.020 . 2 . . . . . 150 VAL HG2 . 52972 1 1158 . 1 . 1 150 150 VAL C C 13 175.236 0.3 . 1 . . . . . 150 VAL C . 52972 1 1159 . 1 . 1 150 150 VAL CA C 13 60.308 0.3 . 1 . . . . . 150 VAL CA . 52972 1 1160 . 1 . 1 150 150 VAL CB C 13 33.967 0.3 . 1 . . . . . 150 VAL CB . 52972 1 1161 . 1 . 1 150 150 VAL CG1 C 13 21.759 0.3 . 1 . . . . . 150 VAL CG1 . 52972 1 1162 . 1 . 1 150 150 VAL CG2 C 13 20.191 0.3 . 1 . . . . . 150 VAL CG2 . 52972 1 1163 . 1 . 1 150 150 VAL N N 15 126.647 0.3 . 1 . . . . . 150 VAL N . 52972 1 1164 . 1 . 1 151 151 THR H H 1 8.708 0.020 . 1 . . . . . 151 THR H . 52972 1 1165 . 1 . 1 151 151 THR HA H 1 4.664 0.020 . 1 . . . . . 151 THR HA . 52972 1 1166 . 1 . 1 151 151 THR HB H 1 3.286 0.020 . 1 . . . . . 151 THR HB . 52972 1 1167 . 1 . 1 151 151 THR HG21 H 1 0.928 0.020 . 1 . . . . . 151 THR HG2 . 52972 1 1168 . 1 . 1 151 151 THR HG22 H 1 0.928 0.020 . 1 . . . . . 151 THR HG2 . 52972 1 1169 . 1 . 1 151 151 THR HG23 H 1 0.928 0.020 . 1 . . . . . 151 THR HG2 . 52972 1 1170 . 1 . 1 151 151 THR C C 13 173.137 0.3 . 1 . . . . . 151 THR C . 52972 1 1171 . 1 . 1 151 151 THR CA C 13 61.530 0.3 . 1 . . . . . 151 THR CA . 52972 1 1172 . 1 . 1 151 151 THR CB C 13 70.731 0.3 . 1 . . . . . 151 THR CB . 52972 1 1173 . 1 . 1 151 151 THR CG2 C 13 22.363 0.3 . 1 . . . . . 151 THR CG2 . 52972 1 1174 . 1 . 1 151 151 THR N N 15 124.204 0.3 . 1 . . . . . 151 THR N . 52972 1 1175 . 1 . 1 152 152 VAL H H 1 8.622 0.020 . 1 . . . . . 152 VAL H . 52972 1 1176 . 1 . 1 152 152 VAL HA H 1 4.274 0.020 . 1 . . . . . 152 VAL HA . 52972 1 1177 . 1 . 1 152 152 VAL HB H 1 2.569 0.020 . 1 . . . . . 152 VAL HB . 52972 1 1178 . 1 . 1 152 152 VAL HG11 H 1 0.822 0.020 . 2 . . . . . 152 VAL HG1 . 52972 1 1179 . 1 . 1 152 152 VAL HG12 H 1 0.822 0.020 . 2 . . . . . 152 VAL HG1 . 52972 1 1180 . 1 . 1 152 152 VAL HG13 H 1 0.822 0.020 . 2 . . . . . 152 VAL HG1 . 52972 1 1181 . 1 . 1 152 152 VAL HG21 H 1 0.776 0.020 . 2 . . . . . 152 VAL HG2 . 52972 1 1182 . 1 . 1 152 152 VAL HG22 H 1 0.776 0.020 . 2 . . . . . 152 VAL HG2 . 52972 1 1183 . 1 . 1 152 152 VAL HG23 H 1 0.776 0.020 . 2 . . . . . 152 VAL HG2 . 52972 1 1184 . 1 . 1 152 152 VAL C C 13 176.689 0.3 . 1 . . . . . 152 VAL C . 52972 1 1185 . 1 . 1 152 152 VAL CA C 13 60.940 0.3 . 1 . . . . . 152 VAL CA . 52972 1 1186 . 1 . 1 152 152 VAL CB C 13 31.205 0.3 . 1 . . . . . 152 VAL CB . 52972 1 1187 . 1 . 1 152 152 VAL CG1 C 13 21.897 0.3 . 1 . . . . . 152 VAL CG1 . 52972 1 1188 . 1 . 1 152 152 VAL CG2 C 13 21.713 0.3 . 1 . . . . . 152 VAL CG2 . 52972 1 1189 . 1 . 1 152 152 VAL N N 15 128.353 0.3 . 1 . . . . . 152 VAL N . 52972 1 1190 . 1 . 1 153 153 SER H H 1 9.131 0.020 . 1 . . . . . 153 SER H . 52972 1 1191 . 1 . 1 153 153 SER HA H 1 4.498 0.020 . 1 . . . . . 153 SER HA . 52972 1 1192 . 1 . 1 153 153 SER HB2 H 1 3.903 0.020 . 2 . . . . . 153 SER HB2 . 52972 1 1193 . 1 . 1 153 153 SER HB3 H 1 3.845 0.020 . 2 . . . . . 153 SER HB3 . 52972 1 1194 . 1 . 1 153 153 SER C C 13 174.273 0.3 . 1 . . . . . 153 SER C . 52972 1 1195 . 1 . 1 153 153 SER CA C 13 58.665 0.3 . 1 . . . . . 153 SER CA . 52972 1 1196 . 1 . 1 153 153 SER CB C 13 64.511 0.3 . 1 . . . . . 153 SER CB . 52972 1 1197 . 1 . 1 153 153 SER N N 15 124.941 0.3 . 1 . . . . . 153 SER N . 52972 1 1198 . 1 . 1 154 154 GLY H H 1 8.560 0.020 . 1 . . . . . 154 GLY H . 52972 1 1199 . 1 . 1 154 154 GLY HA2 H 1 4.098 0.020 . 2 . . . . . 154 GLY HA2 . 52972 1 1200 . 1 . 1 154 154 GLY HA3 H 1 3.939 0.020 . 2 . . . . . 154 GLY HA3 . 52972 1 1201 . 1 . 1 154 154 GLY C C 13 173.295 0.3 . 1 . . . . . 154 GLY C . 52972 1 1202 . 1 . 1 154 154 GLY CA C 13 44.684 0.3 . 1 . . . . . 154 GLY CA . 52972 1 1203 . 1 . 1 154 154 GLY N N 15 109.609 0.3 . 1 . . . . . 154 GLY N . 52972 1 1204 . 1 . 1 155 155 LYS H H 1 8.339 0.020 . 1 . . . . . 155 LYS H . 52972 1 1205 . 1 . 1 155 155 LYS HA H 1 4.352 0.020 . 1 . . . . . 155 LYS HA . 52972 1 1206 . 1 . 1 155 155 LYS HB2 H 1 1.743 0.020 . 2 . . . . . 155 LYS HB2 . 52972 1 1207 . 1 . 1 155 155 LYS HB3 H 1 1.688 0.020 . 2 . . . . . 155 LYS HB3 . 52972 1 1208 . 1 . 1 155 155 LYS HG2 H 1 1.387 0.020 . 2 . . . . . 155 LYS HG2 . 52972 1 1209 . 1 . 1 155 155 LYS HG3 H 1 1.348 0.020 . 1 . . . . . 155 LYS HG3 . 52972 1 1210 . 1 . 1 155 155 LYS HD2 H 1 1.654 0.020 . 1 . . . . . 155 LYS HD2 . 52972 1 1211 . 1 . 1 155 155 LYS HD3 H 1 1.654 0.020 . 1 . . . . . 155 LYS HD3 . 52972 1 1212 . 1 . 1 155 155 LYS HE2 H 1 2.960 0.020 . 1 . . . . . 155 LYS HE2 . 52972 1 1213 . 1 . 1 155 155 LYS HE3 H 1 2.960 0.020 . 1 . . . . . 155 LYS HE3 . 52972 1 1214 . 1 . 1 155 155 LYS C C 13 176.282 0.3 . 1 . . . . . 155 LYS C . 52972 1 1215 . 1 . 1 155 155 LYS CA C 13 56.074 0.3 . 1 . . . . . 155 LYS CA . 52972 1 1216 . 1 . 1 155 155 LYS CB C 13 33.559 0.3 . 1 . . . . . 155 LYS CB . 52972 1 1217 . 1 . 1 155 155 LYS CG C 13 24.631 0.3 . 1 . . . . . 155 LYS CG . 52972 1 1218 . 1 . 1 155 155 LYS CD C 13 29.192 0.3 . 1 . . . . . 155 LYS CD . 52972 1 1219 . 1 . 1 155 155 LYS CE C 13 42.064 0.3 . 1 . . . . . 155 LYS CE . 52972 1 1220 . 1 . 1 155 155 LYS N N 15 120.551 0.3 . 1 . . . . . 155 LYS N . 52972 1 1221 . 1 . 1 156 156 ILE H H 1 8.385 0.020 . 1 . . . . . 156 ILE H . 52972 1 1222 . 1 . 1 156 156 ILE HA H 1 4.180 0.020 . 1 . . . . . 156 ILE HA . 52972 1 1223 . 1 . 1 156 156 ILE HB H 1 1.778 0.020 . 1 . . . . . 156 ILE HB . 52972 1 1224 . 1 . 1 156 156 ILE HG12 H 1 1.430 0.020 . 2 . . . . . 156 ILE HG12 . 52972 1 1225 . 1 . 1 156 156 ILE HG13 H 1 1.097 0.020 . 2 . . . . . 156 ILE HG13 . 52972 1 1226 . 1 . 1 156 156 ILE HG21 H 1 0.769 0.020 . 1 . . . . . 156 ILE HG2 . 52972 1 1227 . 1 . 1 156 156 ILE HG22 H 1 0.769 0.020 . 1 . . . . . 156 ILE HG2 . 52972 1 1228 . 1 . 1 156 156 ILE HG23 H 1 0.769 0.020 . 1 . . . . . 156 ILE HG2 . 52972 1 1229 . 1 . 1 156 156 ILE HD11 H 1 0.776 0.020 . 1 . . . . . 156 ILE HD1 . 52972 1 1230 . 1 . 1 156 156 ILE HD12 H 1 0.776 0.020 . 1 . . . . . 156 ILE HD1 . 52972 1 1231 . 1 . 1 156 156 ILE HD13 H 1 0.776 0.020 . 1 . . . . . 156 ILE HD1 . 52972 1 1232 . 1 . 1 156 156 ILE C C 13 176.350 0.3 . 1 . . . . . 156 ILE C . 52972 1 1233 . 1 . 1 156 156 ILE CA C 13 61.172 0.3 . 1 . . . . . 156 ILE CA . 52972 1 1234 . 1 . 1 156 156 ILE CB C 13 38.663 0.3 . 1 . . . . . 156 ILE CB . 52972 1 1235 . 1 . 1 156 156 ILE CG1 C 13 27.437 0.3 . 1 . . . . . 156 ILE CG1 . 52972 1 1236 . 1 . 1 156 156 ILE CG2 C 13 17.299 0.3 . 1 . . . . . 156 ILE CG2 . 52972 1 1237 . 1 . 1 156 156 ILE CD1 C 13 12.800 0.3 . 1 . . . . . 156 ILE CD1 . 52972 1 1238 . 1 . 1 156 156 ILE N N 15 123.532 0.3 . 1 . . . . . 156 ILE N . 52972 1 1239 . 1 . 1 157 157 THR H H 1 8.269 0.020 . 1 . . . . . 157 THR H . 52972 1 1240 . 1 . 1 157 157 THR HA H 1 4.335 0.020 . 1 . . . . . 157 THR HA . 52972 1 1241 . 1 . 1 157 157 THR HB H 1 4.179 0.020 . 1 . . . . . 157 THR HB . 52972 1 1242 . 1 . 1 157 157 THR HG21 H 1 1.157 0.020 . 1 . . . . . 157 THR HG2 . 52972 1 1243 . 1 . 1 157 157 THR HG22 H 1 1.157 0.020 . 1 . . . . . 157 THR HG2 . 52972 1 1244 . 1 . 1 157 157 THR HG23 H 1 1.157 0.020 . 1 . . . . . 157 THR HG2 . 52972 1 1245 . 1 . 1 157 157 THR C C 13 173.273 0.3 . 1 . . . . . 157 THR C . 52972 1 1246 . 1 . 1 157 157 THR CA C 13 61.361 0.3 . 1 . . . . . 157 THR CA . 52972 1 1247 . 1 . 1 157 157 THR CB C 13 70.054 0.3 . 1 . . . . . 157 THR CB . 52972 1 1248 . 1 . 1 157 157 THR CG2 C 13 21.386 0.3 . 1 . . . . . 157 THR CG2 . 52972 1 1249 . 1 . 1 157 157 THR N N 15 119.296 0.3 . 1 . . . . . 157 THR N . 52972 1 1250 . 1 . 1 158 158 HIS H H 1 7.971 0.020 . 1 . . . . . 158 HIS H . 52972 1 1251 . 1 . 1 158 158 HIS HA H 1 4.406 0.020 . 1 . . . . . 158 HIS HA . 52972 1 1252 . 1 . 1 158 158 HIS HB2 H 1 3.114 0.020 . 2 . . . . . 158 HIS HB2 . 52972 1 1253 . 1 . 1 158 158 HIS HB3 H 1 2.959 0.020 . 2 . . . . . 158 HIS HB3 . 52972 1 1254 . 1 . 1 158 158 HIS CA C 13 57.874 0.3 . 1 . . . . . 158 HIS CA . 52972 1 1255 . 1 . 1 158 158 HIS CB C 13 31.526 0.3 . 1 . . . . . 158 HIS CB . 52972 1 1256 . 1 . 1 158 158 HIS N N 15 127.502 0.3 . 1 . . . . . 158 HIS N . 52972 1 stop_ save_