data_51937 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51937 _Entry.Title ; 1H, 13C, and 15N resonance assignment and secondary structure of the pheromone binding protein 3 of Ostrinia nubilalis (OnubPBP3), an agricultural pest. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-24 _Entry.Accession_date 2023-04-24 _Entry.Last_release_date 2023-04-24 _Entry.Original_release_date 2023-04-24 _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 'European corn borer Pheromone binding protein 3' _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 Omar Al-Danoon . . . . 51937 2 Smita Mohanty . . . . 51937 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51937 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 51937 '15N chemical shifts' 139 51937 '1H chemical shifts' 852 51937 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-11-14 2023-04-24 update BMRB 'update entry citation' 51937 1 . . 2023-08-30 2023-04-24 original author 'original release' 51937 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51937 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37498448 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignments and secondary structure calculation of the pheromone binding protein3 of Ostrinia nubilalis, an agricultural pest ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 223 _Citation.Page_last 227 _Citation.Year 2023 _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 Omar Al-Danoon . . . . 51937 1 2 Smita Mohanty . . . . 51937 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51937 _Assembly.ID 1 _Assembly.Name OnubPBP3 _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 0 _Assembly.Enzyme_commission_number NA _Assembly.Details NA _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 OnubPBP3 1 $entity_1 . . yes native no no . . . 51937 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . . . 51937 1 2 disulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 107 107 SG . . . . . . . . . . . . 51937 1 3 disulfide single . 1 . 1 CYS 97 97 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . . . 51937 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51937 _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 ; SQTVMREMTRNFIKAYEVCA KEYNLPEATGSELINFWKEG HELTTREAGCAILCMSTKLN LLDVQGSVHRGNTVEFAKHH GSDDAMAHQVVDILHACEKA TPNEDKCMLALSIAMCFKAE IHKLDWAPNHELMFEELVSD MWNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _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 16299.60 _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 GB GU828021 . 'Ostrinia nubilalis strain Bivoltine E pheromone binding protein 3' . . . . . . . . . . . . . . 51937 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binds and transport female secreted pheromone to the olfactory receptor neuron of the male moth.' 51937 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 51937 1 2 . GLN . 51937 1 3 . THR . 51937 1 4 . VAL . 51937 1 5 . MET . 51937 1 6 . ARG . 51937 1 7 . GLU . 51937 1 8 . MET . 51937 1 9 . THR . 51937 1 10 . ARG . 51937 1 11 . ASN . 51937 1 12 . PHE . 51937 1 13 . ILE . 51937 1 14 . LYS . 51937 1 15 . ALA . 51937 1 16 . TYR . 51937 1 17 . GLU . 51937 1 18 . VAL . 51937 1 19 . CYS . 51937 1 20 . ALA . 51937 1 21 . LYS . 51937 1 22 . GLU . 51937 1 23 . TYR . 51937 1 24 . ASN . 51937 1 25 . LEU . 51937 1 26 . PRO . 51937 1 27 . GLU . 51937 1 28 . ALA . 51937 1 29 . THR . 51937 1 30 . GLY . 51937 1 31 . SER . 51937 1 32 . GLU . 51937 1 33 . LEU . 51937 1 34 . ILE . 51937 1 35 . ASN . 51937 1 36 . PHE . 51937 1 37 . TRP . 51937 1 38 . LYS . 51937 1 39 . GLU . 51937 1 40 . GLY . 51937 1 41 . HIS . 51937 1 42 . GLU . 51937 1 43 . LEU . 51937 1 44 . THR . 51937 1 45 . THR . 51937 1 46 . ARG . 51937 1 47 . GLU . 51937 1 48 . ALA . 51937 1 49 . GLY . 51937 1 50 . CYS . 51937 1 51 . ALA . 51937 1 52 . ILE . 51937 1 53 . LEU . 51937 1 54 . CYS . 51937 1 55 . MET . 51937 1 56 . SER . 51937 1 57 . THR . 51937 1 58 . LYS . 51937 1 59 . LEU . 51937 1 60 . ASN . 51937 1 61 . LEU . 51937 1 62 . LEU . 51937 1 63 . ASP . 51937 1 64 . VAL . 51937 1 65 . GLN . 51937 1 66 . GLY . 51937 1 67 . SER . 51937 1 68 . VAL . 51937 1 69 . HIS . 51937 1 70 . ARG . 51937 1 71 . GLY . 51937 1 72 . ASN . 51937 1 73 . THR . 51937 1 74 . VAL . 51937 1 75 . GLU . 51937 1 76 . PHE . 51937 1 77 . ALA . 51937 1 78 . LYS . 51937 1 79 . HIS . 51937 1 80 . HIS . 51937 1 81 . GLY . 51937 1 82 . SER . 51937 1 83 . ASP . 51937 1 84 . ASP . 51937 1 85 . ALA . 51937 1 86 . MET . 51937 1 87 . ALA . 51937 1 88 . HIS . 51937 1 89 . GLN . 51937 1 90 . VAL . 51937 1 91 . VAL . 51937 1 92 . ASP . 51937 1 93 . ILE . 51937 1 94 . LEU . 51937 1 95 . HIS . 51937 1 96 . ALA . 51937 1 97 . CYS . 51937 1 98 . GLU . 51937 1 99 . LYS . 51937 1 100 . ALA . 51937 1 101 . THR . 51937 1 102 . PRO . 51937 1 103 . ASN . 51937 1 104 . GLU . 51937 1 105 . ASP . 51937 1 106 . LYS . 51937 1 107 . CYS . 51937 1 108 . MET . 51937 1 109 . LEU . 51937 1 110 . ALA . 51937 1 111 . LEU . 51937 1 112 . SER . 51937 1 113 . ILE . 51937 1 114 . ALA . 51937 1 115 . MET . 51937 1 116 . CYS . 51937 1 117 . PHE . 51937 1 118 . LYS . 51937 1 119 . ALA . 51937 1 120 . GLU . 51937 1 121 . ILE . 51937 1 122 . HIS . 51937 1 123 . LYS . 51937 1 124 . LEU . 51937 1 125 . ASP . 51937 1 126 . TRP . 51937 1 127 . ALA . 51937 1 128 . PRO . 51937 1 129 . ASN . 51937 1 130 . HIS . 51937 1 131 . GLU . 51937 1 132 . LEU . 51937 1 133 . MET . 51937 1 134 . PHE . 51937 1 135 . GLU . 51937 1 136 . GLU . 51937 1 137 . LEU . 51937 1 138 . VAL . 51937 1 139 . SER . 51937 1 140 . ASP . 51937 1 141 . MET . 51937 1 142 . TRP . 51937 1 143 . ASN . 51937 1 144 . SER . 51937 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 51937 1 . GLN 2 2 51937 1 . THR 3 3 51937 1 . VAL 4 4 51937 1 . MET 5 5 51937 1 . ARG 6 6 51937 1 . GLU 7 7 51937 1 . MET 8 8 51937 1 . THR 9 9 51937 1 . ARG 10 10 51937 1 . ASN 11 11 51937 1 . PHE 12 12 51937 1 . ILE 13 13 51937 1 . LYS 14 14 51937 1 . ALA 15 15 51937 1 . TYR 16 16 51937 1 . GLU 17 17 51937 1 . VAL 18 18 51937 1 . CYS 19 19 51937 1 . ALA 20 20 51937 1 . LYS 21 21 51937 1 . GLU 22 22 51937 1 . TYR 23 23 51937 1 . ASN 24 24 51937 1 . LEU 25 25 51937 1 . PRO 26 26 51937 1 . GLU 27 27 51937 1 . ALA 28 28 51937 1 . THR 29 29 51937 1 . GLY 30 30 51937 1 . SER 31 31 51937 1 . GLU 32 32 51937 1 . LEU 33 33 51937 1 . ILE 34 34 51937 1 . ASN 35 35 51937 1 . PHE 36 36 51937 1 . TRP 37 37 51937 1 . LYS 38 38 51937 1 . GLU 39 39 51937 1 . GLY 40 40 51937 1 . HIS 41 41 51937 1 . GLU 42 42 51937 1 . LEU 43 43 51937 1 . THR 44 44 51937 1 . THR 45 45 51937 1 . ARG 46 46 51937 1 . GLU 47 47 51937 1 . ALA 48 48 51937 1 . GLY 49 49 51937 1 . CYS 50 50 51937 1 . ALA 51 51 51937 1 . ILE 52 52 51937 1 . LEU 53 53 51937 1 . CYS 54 54 51937 1 . MET 55 55 51937 1 . SER 56 56 51937 1 . THR 57 57 51937 1 . LYS 58 58 51937 1 . LEU 59 59 51937 1 . ASN 60 60 51937 1 . LEU 61 61 51937 1 . LEU 62 62 51937 1 . ASP 63 63 51937 1 . VAL 64 64 51937 1 . GLN 65 65 51937 1 . GLY 66 66 51937 1 . SER 67 67 51937 1 . VAL 68 68 51937 1 . HIS 69 69 51937 1 . ARG 70 70 51937 1 . GLY 71 71 51937 1 . ASN 72 72 51937 1 . THR 73 73 51937 1 . VAL 74 74 51937 1 . GLU 75 75 51937 1 . PHE 76 76 51937 1 . ALA 77 77 51937 1 . LYS 78 78 51937 1 . HIS 79 79 51937 1 . HIS 80 80 51937 1 . GLY 81 81 51937 1 . SER 82 82 51937 1 . ASP 83 83 51937 1 . ASP 84 84 51937 1 . ALA 85 85 51937 1 . MET 86 86 51937 1 . ALA 87 87 51937 1 . HIS 88 88 51937 1 . GLN 89 89 51937 1 . VAL 90 90 51937 1 . VAL 91 91 51937 1 . ASP 92 92 51937 1 . ILE 93 93 51937 1 . LEU 94 94 51937 1 . HIS 95 95 51937 1 . ALA 96 96 51937 1 . CYS 97 97 51937 1 . GLU 98 98 51937 1 . LYS 99 99 51937 1 . ALA 100 100 51937 1 . THR 101 101 51937 1 . PRO 102 102 51937 1 . ASN 103 103 51937 1 . GLU 104 104 51937 1 . ASP 105 105 51937 1 . LYS 106 106 51937 1 . CYS 107 107 51937 1 . MET 108 108 51937 1 . LEU 109 109 51937 1 . ALA 110 110 51937 1 . LEU 111 111 51937 1 . SER 112 112 51937 1 . ILE 113 113 51937 1 . ALA 114 114 51937 1 . MET 115 115 51937 1 . CYS 116 116 51937 1 . PHE 117 117 51937 1 . LYS 118 118 51937 1 . ALA 119 119 51937 1 . GLU 120 120 51937 1 . ILE 121 121 51937 1 . HIS 122 122 51937 1 . LYS 123 123 51937 1 . LEU 124 124 51937 1 . ASP 125 125 51937 1 . TRP 126 126 51937 1 . ALA 127 127 51937 1 . PRO 128 128 51937 1 . ASN 129 129 51937 1 . HIS 130 130 51937 1 . GLU 131 131 51937 1 . LEU 132 132 51937 1 . MET 133 133 51937 1 . PHE 134 134 51937 1 . GLU 135 135 51937 1 . GLU 136 136 51937 1 . LEU 137 137 51937 1 . VAL 138 138 51937 1 . SER 139 139 51937 1 . ASP 140 140 51937 1 . MET 141 141 51937 1 . TRP 142 142 51937 1 . ASN 143 143 51937 1 . SER 144 144 51937 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 51937 _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 . 29057 organism . 'Ostrinia nubilalis' 'European corn borer' . . Eukaryota Metazoa Ostrinia nubilalis . . . . . . . . . . . . . 51937 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 51937 _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 'Origami 2' . . plasmid . . pET21a . . . 51937 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51937 _Sample.ID 1 _Sample.Name OnubPBP3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C, 15N-labeled protein with a buffer containing 50 mM phosphate buffer at pH 6.5, 95% H2O, 5% D2O, 1 mM EDTA, and 0.01% (w/v) NaN3. ; _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 'Ostrinia nubilalis Pheromone Binding Protein 3' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 460 . . uM . . . . 51937 1 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51937 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 51937 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 51937 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Ostrinia nubilalis Pheromone Binding Protein 3 pH-6.5' _Sample_condition_list.Details ; 13C, 15N-labeled protein with a buffer containing 50 mM phosphate buffer at pH 6.5, 95% H2O, 5% D2O, 1 mM EDTA, and 0.01% (w/v) NaN3. ; 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' 50 . mM 51937 1 pH 6.5 . pH 51937 1 pressure 1 . atm 51937 1 temperature 308 . K 51937 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51937 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51937 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51937 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 11.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51937 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51937 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51937 3 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 51937 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Neo 600 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51937 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III 800 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51937 _Experiment_list.ID 1 _Experiment_list.Details ; Collected Data on Bruker Neo 600 MHz spectrometer and Bruker Avance III 800 MHz spectrometer. NMRPipe was employed to process and visualize all collected spectra and NMRFAM-SPARKY was used for analysis. ; 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 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51937 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51937 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51937 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 7 '3D CC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 8 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 9 '3D 15N-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51937 1 10 '3D 13C-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 1 11 '3D 15N-TOCSY-HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51937 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 51937 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Water _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51937 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 51937 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name OnubPBP3.bmrb _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 '2D 1H-15N HSQC' . . . 51937 1 2 '3D HNCA' . . . 51937 1 3 '3D HNCACB' . . . 51937 1 4 '3D CBCA(CO)NH' . . . 51937 1 5 '3D HNCO' . . . 51937 1 6 '3D HN(CA)CO' . . . 51937 1 7 '3D CC(CO)NH' . . . 51937 1 8 '3D H(CCO)NH' . . . 51937 1 9 '3D 15N-separated NOESY' . . . 51937 1 10 '3D 13C-separated NOESY' . . . 51937 1 11 '3D 15N-TOCSY-HSQC' . . . 51937 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 . . 51937 1 2 $software_2 . . 51937 1 3 $software_3 . . 51937 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 2 2 GLN H H 1 7.838 0.000 . 1 . . . . . 2 GLN H . 51937 1 2 . 1 . 1 2 2 GLN HA H 1 3.935 0.000 . 1 . . . . . 2 GLN HA . 51937 1 3 . 1 . 1 2 2 GLN HB2 H 1 1.814 0.000 . 2 . . . . . 2 GLN HB2 . 51937 1 4 . 1 . 1 2 2 GLN HB3 H 1 1.738 0.000 . 2 . . . . . 2 GLN HB3 . 51937 1 5 . 1 . 1 2 2 GLN C C 13 177.829 0.007 . 1 . . . . . 2 GLN C . 51937 1 6 . 1 . 1 2 2 GLN CA C 13 57.787 0.028 . 1 . . . . . 2 GLN CA . 51937 1 7 . 1 . 1 2 2 GLN CB C 13 28.065 0.041 . 1 . . . . . 2 GLN CB . 51937 1 8 . 1 . 1 2 2 GLN CG C 13 33.203 0.000 . 1 . . . . . 2 GLN CG . 51937 1 9 . 1 . 1 3 3 THR H H 1 7.849 0.009 . 1 . . . . . 3 THR H . 51937 1 10 . 1 . 1 3 3 THR HA H 1 3.807 0.015 . 1 . . . . . 3 THR HA . 51937 1 11 . 1 . 1 3 3 THR HB H 1 3.972 0.011 . 1 . . . . . 3 THR HB . 51937 1 12 . 1 . 1 3 3 THR HG21 H 1 1.219 0.012 . 1 . . . . . 3 THR QG2 . 51937 1 13 . 1 . 1 3 3 THR HG22 H 1 1.219 0.012 . 1 . . . . . 3 THR QG2 . 51937 1 14 . 1 . 1 3 3 THR HG23 H 1 1.219 0.012 . 1 . . . . . 3 THR QG2 . 51937 1 15 . 1 . 1 3 3 THR C C 13 175.512 0.021 . 1 . . . . . 3 THR C . 51937 1 16 . 1 . 1 3 3 THR CA C 13 65.651 0.109 . 1 . . . . . 3 THR CA . 51937 1 17 . 1 . 1 3 3 THR CB C 13 67.942 0.063 . 1 . . . . . 3 THR CB . 51937 1 18 . 1 . 1 3 3 THR CG2 C 13 21.418 0.030 . 1 . . . . . 3 THR CG2 . 51937 1 19 . 1 . 1 3 3 THR N N 15 114.889 0.102 . 1 . . . . . 3 THR N . 51937 1 20 . 1 . 1 4 4 VAL H H 1 7.387 0.009 . 1 . . . . . 4 VAL H . 51937 1 21 . 1 . 1 4 4 VAL HA H 1 3.681 0.012 . 1 . . . . . 4 VAL HA . 51937 1 22 . 1 . 1 4 4 VAL HB H 1 1.631 0.011 . 1 . . . . . 4 VAL HB . 51937 1 23 . 1 . 1 4 4 VAL HG11 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG1 . 51937 1 24 . 1 . 1 4 4 VAL HG12 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG1 . 51937 1 25 . 1 . 1 4 4 VAL HG13 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG1 . 51937 1 26 . 1 . 1 4 4 VAL HG21 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG2 . 51937 1 27 . 1 . 1 4 4 VAL HG22 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG2 . 51937 1 28 . 1 . 1 4 4 VAL HG23 H 1 0.794 0.012 . 2 . . . . . 4 VAL QG2 . 51937 1 29 . 1 . 1 4 4 VAL C C 13 177.397 0.009 . 1 . . . . . 4 VAL C . 51937 1 30 . 1 . 1 4 4 VAL CA C 13 65.262 0.040 . 1 . . . . . 4 VAL CA . 51937 1 31 . 1 . 1 4 4 VAL CB C 13 31.300 0.066 . 1 . . . . . 4 VAL CB . 51937 1 32 . 1 . 1 4 4 VAL CG1 C 13 21.478 0.112 . 1 . . . . . 4 VAL CG1 . 51937 1 33 . 1 . 1 4 4 VAL CG2 C 13 20.562 0.100 . 1 . . . . . 4 VAL CG2 . 51937 1 34 . 1 . 1 4 4 VAL N N 15 123.432 0.062 . 1 . . . . . 4 VAL N . 51937 1 35 . 1 . 1 5 5 MET H H 1 8.086 0.013 . 1 . . . . . 5 MET H . 51937 1 36 . 1 . 1 5 5 MET HA H 1 4.668 0.015 . 1 . . . . . 5 MET HA . 51937 1 37 . 1 . 1 5 5 MET HB2 H 1 2.097 0.008 . 2 . . . . . 5 MET HB2 . 51937 1 38 . 1 . 1 5 5 MET HB3 H 1 1.879 0.008 . 2 . . . . . 5 MET HB3 . 51937 1 39 . 1 . 1 5 5 MET HG2 H 1 2.478 0.011 . 2 . . . . . 5 MET HG2 . 51937 1 40 . 1 . 1 5 5 MET HG3 H 1 2.478 0.011 . 2 . . . . . 5 MET HG3 . 51937 1 41 . 1 . 1 5 5 MET C C 13 179.481 0.011 . 1 . . . . . 5 MET C . 51937 1 42 . 1 . 1 5 5 MET CA C 13 55.778 0.079 . 1 . . . . . 5 MET CA . 51937 1 43 . 1 . 1 5 5 MET CB C 13 29.558 0.064 . 1 . . . . . 5 MET CB . 51937 1 44 . 1 . 1 5 5 MET CG C 13 31.637 0.121 . 1 . . . . . 5 MET CG . 51937 1 45 . 1 . 1 5 5 MET N N 15 118.446 0.066 . 1 . . . . . 5 MET N . 51937 1 46 . 1 . 1 6 6 ARG H H 1 8.667 0.013 . 1 . . . . . 6 ARG H . 51937 1 47 . 1 . 1 6 6 ARG HA H 1 3.815 0.010 . 1 . . . . . 6 ARG HA . 51937 1 48 . 1 . 1 6 6 ARG HB2 H 1 2.261 0.014 . 2 . . . . . 6 ARG HB2 . 51937 1 49 . 1 . 1 6 6 ARG HB3 H 1 2.261 0.014 . 2 . . . . . 6 ARG HB3 . 51937 1 50 . 1 . 1 6 6 ARG HG2 H 1 1.825 0.015 . 2 . . . . . 6 ARG HG2 . 51937 1 51 . 1 . 1 6 6 ARG HG3 H 1 1.825 0.015 . 2 . . . . . 6 ARG HG3 . 51937 1 52 . 1 . 1 6 6 ARG HD2 H 1 3.182 0.020 . 2 . . . . . 6 ARG HD2 . 51937 1 53 . 1 . 1 6 6 ARG HD3 H 1 3.182 0.020 . 2 . . . . . 6 ARG HD3 . 51937 1 54 . 1 . 1 6 6 ARG C C 13 176.415 0.008 . 1 . . . . . 6 ARG C . 51937 1 55 . 1 . 1 6 6 ARG CA C 13 60.057 0.059 . 1 . . . . . 6 ARG CA . 51937 1 56 . 1 . 1 6 6 ARG CB C 13 29.357 0.143 . 1 . . . . . 6 ARG CB . 51937 1 57 . 1 . 1 6 6 ARG CG C 13 26.813 0.000 . 1 . . . . . 6 ARG CG . 51937 1 58 . 1 . 1 6 6 ARG CD C 13 42.937 0.033 . 1 . . . . . 6 ARG CD . 51937 1 59 . 1 . 1 6 6 ARG N N 15 124.128 0.100 . 1 . . . . . 6 ARG N . 51937 1 60 . 1 . 1 7 7 GLU H H 1 7.944 0.012 . 1 . . . . . 7 GLU H . 51937 1 61 . 1 . 1 7 7 GLU HA H 1 4.190 0.013 . 1 . . . . . 7 GLU HA . 51937 1 62 . 1 . 1 7 7 GLU HB2 H 1 2.276 0.015 . 2 . . . . . 7 GLU HB2 . 51937 1 63 . 1 . 1 7 7 GLU HB3 H 1 2.276 0.015 . 2 . . . . . 7 GLU HB3 . 51937 1 64 . 1 . 1 7 7 GLU HG2 H 1 2.550 0.009 . 2 . . . . . 7 GLU HG2 . 51937 1 65 . 1 . 1 7 7 GLU HG3 H 1 2.425 0.004 . 2 . . . . . 7 GLU HG3 . 51937 1 66 . 1 . 1 7 7 GLU C C 13 179.452 0.073 . 1 . . . . . 7 GLU C . 51937 1 67 . 1 . 1 7 7 GLU CA C 13 58.607 0.117 . 1 . . . . . 7 GLU CA . 51937 1 68 . 1 . 1 7 7 GLU CB C 13 29.081 0.127 . 1 . . . . . 7 GLU CB . 51937 1 69 . 1 . 1 7 7 GLU CG C 13 34.857 0.136 . 1 . . . . . 7 GLU CG . 51937 1 70 . 1 . 1 7 7 GLU N N 15 120.741 0.077 . 1 . . . . . 7 GLU N . 51937 1 71 . 1 . 1 8 8 MET H H 1 9.106 0.017 . 1 . . . . . 8 MET H . 51937 1 72 . 1 . 1 8 8 MET HA H 1 3.432 0.020 . 1 . . . . . 8 MET HA . 51937 1 73 . 1 . 1 8 8 MET HB2 H 1 2.368 0.016 . 2 . . . . . 8 MET HB2 . 51937 1 74 . 1 . 1 8 8 MET HB3 H 1 2.368 0.016 . 2 . . . . . 8 MET HB3 . 51937 1 75 . 1 . 1 8 8 MET HG2 H 1 2.219 0.011 . 2 . . . . . 8 MET HG2 . 51937 1 76 . 1 . 1 8 8 MET HG3 H 1 2.219 0.011 . 2 . . . . . 8 MET HG3 . 51937 1 77 . 1 . 1 8 8 MET HE1 H 1 1.484 0.007 . 1 . . . . . 8 MET HE# . 51937 1 78 . 1 . 1 8 8 MET HE2 H 1 1.484 0.007 . 1 . . . . . 8 MET HE# . 51937 1 79 . 1 . 1 8 8 MET HE3 H 1 1.484 0.007 . 1 . . . . . 8 MET HE# . 51937 1 80 . 1 . 1 8 8 MET C C 13 176.718 0.119 . 1 . . . . . 8 MET C . 51937 1 81 . 1 . 1 8 8 MET CA C 13 59.971 0.047 . 1 . . . . . 8 MET CA . 51937 1 82 . 1 . 1 8 8 MET CB C 13 33.971 0.075 . 1 . . . . . 8 MET CB . 51937 1 83 . 1 . 1 8 8 MET CG C 13 31.627 0.001 . 1 . . . . . 8 MET CG . 51937 1 84 . 1 . 1 8 8 MET CE C 13 17.877 0.082 . 1 . . . . . 8 MET CE . 51937 1 85 . 1 . 1 8 8 MET N N 15 119.486 0.179 . 1 . . . . . 8 MET N . 51937 1 86 . 1 . 1 9 9 THR H H 1 8.169 0.015 . 1 . . . . . 9 THR H . 51937 1 87 . 1 . 1 9 9 THR HA H 1 3.990 0.009 . 1 . . . . . 9 THR HA . 51937 1 88 . 1 . 1 9 9 THR HG21 H 1 1.529 0.017 . 1 . . . . . 9 THR QG2 . 51937 1 89 . 1 . 1 9 9 THR HG22 H 1 1.529 0.017 . 1 . . . . . 9 THR QG2 . 51937 1 90 . 1 . 1 9 9 THR HG23 H 1 1.529 0.017 . 1 . . . . . 9 THR QG2 . 51937 1 91 . 1 . 1 9 9 THR C C 13 177.927 0.000 . 1 . . . . . 9 THR C . 51937 1 92 . 1 . 1 9 9 THR CA C 13 67.442 0.056 . 1 . . . . . 9 THR CA . 51937 1 93 . 1 . 1 9 9 THR CB C 13 68.385 0.173 . 1 . . . . . 9 THR CB . 51937 1 94 . 1 . 1 9 9 THR CG2 C 13 20.613 0.105 . 1 . . . . . 9 THR CG2 . 51937 1 95 . 1 . 1 9 9 THR N N 15 115.127 0.166 . 1 . . . . . 9 THR N . 51937 1 96 . 1 . 1 10 10 ARG H H 1 8.519 0.014 . 1 . . . . . 10 ARG H . 51937 1 97 . 1 . 1 10 10 ARG HA H 1 3.944 0.023 . 1 . . . . . 10 ARG HA . 51937 1 98 . 1 . 1 10 10 ARG HB2 H 1 2.180 0.002 . 2 . . . . . 10 ARG HB2 . 51937 1 99 . 1 . 1 10 10 ARG HB3 H 1 2.063 0.005 . 2 . . . . . 10 ARG HB3 . 51937 1 100 . 1 . 1 10 10 ARG HG2 H 1 1.946 0.006 . 2 . . . . . 10 ARG HG2 . 51937 1 101 . 1 . 1 10 10 ARG HG3 H 1 1.837 0.001 . 2 . . . . . 10 ARG HG3 . 51937 1 102 . 1 . 1 10 10 ARG C C 13 176.362 0.289 . 1 . . . . . 10 ARG C . 51937 1 103 . 1 . 1 10 10 ARG CA C 13 59.459 0.122 . 1 . . . . . 10 ARG CA . 51937 1 104 . 1 . 1 10 10 ARG CB C 13 30.326 0.098 . 1 . . . . . 10 ARG CB . 51937 1 105 . 1 . 1 10 10 ARG N N 15 120.555 0.060 . 1 . . . . . 10 ARG N . 51937 1 106 . 1 . 1 11 11 ASN H H 1 7.329 0.013 . 1 . . . . . 11 ASN H . 51937 1 107 . 1 . 1 11 11 ASN HA H 1 4.425 0.014 . 1 . . . . . 11 ASN HA . 51937 1 108 . 1 . 1 11 11 ASN HB2 H 1 2.644 0.011 . 2 . . . . . 11 ASN HB2 . 51937 1 109 . 1 . 1 11 11 ASN HB3 H 1 2.444 0.016 . 2 . . . . . 11 ASN HB3 . 51937 1 110 . 1 . 1 11 11 ASN C C 13 175.293 0.005 . 1 . . . . . 11 ASN C . 51937 1 111 . 1 . 1 11 11 ASN CA C 13 55.968 0.067 . 1 . . . . . 11 ASN CA . 51937 1 112 . 1 . 1 11 11 ASN CB C 13 39.425 0.097 . 1 . . . . . 11 ASN CB . 51937 1 113 . 1 . 1 11 11 ASN N N 15 113.398 0.074 . 1 . . . . . 11 ASN N . 51937 1 114 . 1 . 1 12 12 PHE H H 1 8.548 0.021 . 1 . . . . . 12 PHE H . 51937 1 115 . 1 . 1 12 12 PHE HA H 1 4.316 0.024 . 1 . . . . . 12 PHE HA . 51937 1 116 . 1 . 1 12 12 PHE HB2 H 1 3.333 0.014 . 2 . . . . . 12 PHE HB2 . 51937 1 117 . 1 . 1 12 12 PHE HB3 H 1 3.288 0.008 . 2 . . . . . 12 PHE HB3 . 51937 1 118 . 1 . 1 12 12 PHE C C 13 175.354 0.078 . 1 . . . . . 12 PHE C . 51937 1 119 . 1 . 1 12 12 PHE CA C 13 60.538 0.167 . 1 . . . . . 12 PHE CA . 51937 1 120 . 1 . 1 12 12 PHE CB C 13 40.432 0.063 . 1 . . . . . 12 PHE CB . 51937 1 121 . 1 . 1 12 12 PHE N N 15 122.581 0.114 . 1 . . . . . 12 PHE N . 51937 1 122 . 1 . 1 13 13 ILE H H 1 8.222 0.018 . 1 . . . . . 13 ILE H . 51937 1 123 . 1 . 1 13 13 ILE HA H 1 4.081 0.021 . 1 . . . . . 13 ILE HA . 51937 1 124 . 1 . 1 13 13 ILE HB H 1 2.125 0.013 . 1 . . . . . 13 ILE HB . 51937 1 125 . 1 . 1 13 13 ILE HG12 H 1 1.018 0.007 . 2 . . . . . 13 ILE HG12 . 51937 1 126 . 1 . 1 13 13 ILE HG13 H 1 1.018 0.007 . 2 . . . . . 13 ILE HG13 . 51937 1 127 . 1 . 1 13 13 ILE HG21 H 1 0.999 0.004 . 1 . . . . . 13 ILE QG2 . 51937 1 128 . 1 . 1 13 13 ILE HG22 H 1 0.999 0.004 . 1 . . . . . 13 ILE QG2 . 51937 1 129 . 1 . 1 13 13 ILE HG23 H 1 0.999 0.004 . 1 . . . . . 13 ILE QG2 . 51937 1 130 . 1 . 1 13 13 ILE HD11 H 1 0.767 0.013 . 1 . . . . . 13 ILE QD1 . 51937 1 131 . 1 . 1 13 13 ILE HD12 H 1 0.767 0.013 . 1 . . . . . 13 ILE QD1 . 51937 1 132 . 1 . 1 13 13 ILE HD13 H 1 0.767 0.013 . 1 . . . . . 13 ILE QD1 . 51937 1 133 . 1 . 1 13 13 ILE C C 13 176.815 0.012 . 1 . . . . . 13 ILE C . 51937 1 134 . 1 . 1 13 13 ILE CA C 13 62.410 0.227 . 1 . . . . . 13 ILE CA . 51937 1 135 . 1 . 1 13 13 ILE CB C 13 37.173 0.114 . 1 . . . . . 13 ILE CB . 51937 1 136 . 1 . 1 13 13 ILE CG1 C 13 28.260 0.000 . 1 . . . . . 13 ILE CG1 . 51937 1 137 . 1 . 1 13 13 ILE CG2 C 13 17.167 0.055 . 1 . . . . . 13 ILE CG2 . 51937 1 138 . 1 . 1 13 13 ILE CD1 C 13 12.422 0.007 . 1 . . . . . 13 ILE CD1 . 51937 1 139 . 1 . 1 13 13 ILE N N 15 112.675 0.191 . 1 . . . . . 13 ILE N . 51937 1 140 . 1 . 1 14 14 LYS H H 1 7.359 0.014 . 1 . . . . . 14 LYS H . 51937 1 141 . 1 . 1 14 14 LYS HA H 1 4.214 0.012 . 1 . . . . . 14 LYS HA . 51937 1 142 . 1 . 1 14 14 LYS HB2 H 1 2.030 0.014 . 2 . . . . . 14 LYS HB2 . 51937 1 143 . 1 . 1 14 14 LYS HB3 H 1 1.870 0.024 . 2 . . . . . 14 LYS HB3 . 51937 1 144 . 1 . 1 14 14 LYS HG2 H 1 1.603 0.005 . 2 . . . . . 14 LYS HG2 . 51937 1 145 . 1 . 1 14 14 LYS HG3 H 1 1.603 0.005 . 2 . . . . . 14 LYS HG3 . 51937 1 146 . 1 . 1 14 14 LYS HD2 H 1 1.811 0.007 . 2 . . . . . 14 LYS HD2 . 51937 1 147 . 1 . 1 14 14 LYS HD3 H 1 1.811 0.007 . 2 . . . . . 14 LYS HD3 . 51937 1 148 . 1 . 1 14 14 LYS C C 13 176.606 0.009 . 1 . . . . . 14 LYS C . 51937 1 149 . 1 . 1 14 14 LYS CA C 13 58.676 0.084 . 1 . . . . . 14 LYS CA . 51937 1 150 . 1 . 1 14 14 LYS CB C 13 31.811 0.049 . 1 . . . . . 14 LYS CB . 51937 1 151 . 1 . 1 14 14 LYS CG C 13 25.007 0.078 . 1 . . . . . 14 LYS CG . 51937 1 152 . 1 . 1 14 14 LYS CD C 13 28.968 0.109 . 1 . . . . . 14 LYS CD . 51937 1 153 . 1 . 1 14 14 LYS CE C 13 41.652 0.000 . 1 . . . . . 14 LYS CE . 51937 1 154 . 1 . 1 14 14 LYS N N 15 121.527 0.080 . 1 . . . . . 14 LYS N . 51937 1 155 . 1 . 1 15 15 ALA H H 1 7.326 0.007 . 1 . . . . . 15 ALA H . 51937 1 156 . 1 . 1 15 15 ALA HA H 1 4.406 0.011 . 1 . . . . . 15 ALA HA . 51937 1 157 . 1 . 1 15 15 ALA HB1 H 1 1.282 0.011 . 1 . . . . . 15 ALA HB# . 51937 1 158 . 1 . 1 15 15 ALA HB2 H 1 1.282 0.011 . 1 . . . . . 15 ALA HB# . 51937 1 159 . 1 . 1 15 15 ALA HB3 H 1 1.282 0.011 . 1 . . . . . 15 ALA HB# . 51937 1 160 . 1 . 1 15 15 ALA C C 13 174.957 0.191 . 1 . . . . . 15 ALA C . 51937 1 161 . 1 . 1 15 15 ALA CA C 13 52.148 0.061 . 1 . . . . . 15 ALA CA . 51937 1 162 . 1 . 1 15 15 ALA CB C 13 17.694 0.033 . 1 . . . . . 15 ALA CB . 51937 1 163 . 1 . 1 15 15 ALA N N 15 118.931 0.143 . 1 . . . . . 15 ALA N . 51937 1 164 . 1 . 1 16 16 TYR H H 1 8.208 0.008 . 1 . . . . . 16 TYR H . 51937 1 165 . 1 . 1 16 16 TYR HA H 1 3.721 0.008 . 1 . . . . . 16 TYR HA . 51937 1 166 . 1 . 1 16 16 TYR HB2 H 1 3.248 0.018 . 2 . . . . . 16 TYR HB2 . 51937 1 167 . 1 . 1 16 16 TYR HB3 H 1 3.026 0.018 . 2 . . . . . 16 TYR HB3 . 51937 1 168 . 1 . 1 16 16 TYR C C 13 175.429 0.039 . 1 . . . . . 16 TYR C . 51937 1 169 . 1 . 1 16 16 TYR CA C 13 63.033 0.073 . 1 . . . . . 16 TYR CA . 51937 1 170 . 1 . 1 16 16 TYR CB C 13 37.923 0.132 . 1 . . . . . 16 TYR CB . 51937 1 171 . 1 . 1 16 16 TYR N N 15 120.056 0.058 . 1 . . . . . 16 TYR N . 51937 1 172 . 1 . 1 17 17 GLU H H 1 8.767 0.007 . 1 . . . . . 17 GLU H . 51937 1 173 . 1 . 1 17 17 GLU HA H 1 3.667 0.013 . 1 . . . . . 17 GLU HA . 51937 1 174 . 1 . 1 17 17 GLU HB2 H 1 2.173 0.019 . 2 . . . . . 17 GLU HB2 . 51937 1 175 . 1 . 1 17 17 GLU HB3 H 1 2.045 0.004 . 2 . . . . . 17 GLU HB3 . 51937 1 176 . 1 . 1 17 17 GLU HG2 H 1 2.374 0.017 . 2 . . . . . 17 GLU HG2 . 51937 1 177 . 1 . 1 17 17 GLU HG3 H 1 2.275 0.002 . 2 . . . . . 17 GLU HG3 . 51937 1 178 . 1 . 1 17 17 GLU C C 13 178.004 0.043 . 1 . . . . . 17 GLU C . 51937 1 179 . 1 . 1 17 17 GLU CA C 13 60.065 0.074 . 1 . . . . . 17 GLU CA . 51937 1 180 . 1 . 1 17 17 GLU CB C 13 28.608 0.069 . 1 . . . . . 17 GLU CB . 51937 1 181 . 1 . 1 17 17 GLU CG C 13 35.884 0.034 . 1 . . . . . 17 GLU CG . 51937 1 182 . 1 . 1 17 17 GLU N N 15 118.700 0.073 . 1 . . . . . 17 GLU N . 51937 1 183 . 1 . 1 18 18 VAL H H 1 7.842 0.006 . 1 . . . . . 18 VAL H . 51937 1 184 . 1 . 1 18 18 VAL HA H 1 3.880 0.011 . 1 . . . . . 18 VAL HA . 51937 1 185 . 1 . 1 18 18 VAL HB H 1 2.054 0.013 . 1 . . . . . 18 VAL HB . 51937 1 186 . 1 . 1 18 18 VAL HG11 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG1 . 51937 1 187 . 1 . 1 18 18 VAL HG12 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG1 . 51937 1 188 . 1 . 1 18 18 VAL HG13 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG1 . 51937 1 189 . 1 . 1 18 18 VAL HG21 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG2 . 51937 1 190 . 1 . 1 18 18 VAL HG22 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG2 . 51937 1 191 . 1 . 1 18 18 VAL HG23 H 1 1.005 0.018 . 2 . . . . . 18 VAL QG2 . 51937 1 192 . 1 . 1 18 18 VAL C C 13 177.175 0.003 . 1 . . . . . 18 VAL C . 51937 1 193 . 1 . 1 18 18 VAL CA C 13 64.759 0.051 . 1 . . . . . 18 VAL CA . 51937 1 194 . 1 . 1 18 18 VAL CB C 13 30.849 0.050 . 1 . . . . . 18 VAL CB . 51937 1 195 . 1 . 1 18 18 VAL CG1 C 13 21.381 0.092 . 1 . . . . . 18 VAL CG1 . 51937 1 196 . 1 . 1 18 18 VAL CG2 C 13 20.586 0.045 . 1 . . . . . 18 VAL CG2 . 51937 1 197 . 1 . 1 18 18 VAL N N 15 116.640 0.054 . 1 . . . . . 18 VAL N . 51937 1 198 . 1 . 1 19 19 CYS H H 1 7.171 0.014 . 1 . . . . . 19 CYS H . 51937 1 199 . 1 . 1 19 19 CYS HA H 1 4.324 0.017 . 1 . . . . . 19 CYS HA . 51937 1 200 . 1 . 1 19 19 CYS HB2 H 1 3.080 0.012 . 2 . . . . . 19 CYS HB2 . 51937 1 201 . 1 . 1 19 19 CYS HB3 H 1 2.446 0.010 . 2 . . . . . 19 CYS HB3 . 51937 1 202 . 1 . 1 19 19 CYS C C 13 174.551 0.014 . 1 . . . . . 19 CYS C . 51937 1 203 . 1 . 1 19 19 CYS CA C 13 59.717 0.086 . 1 . . . . . 19 CYS CA . 51937 1 204 . 1 . 1 19 19 CYS CB C 13 41.125 0.091 . 1 . . . . . 19 CYS CB . 51937 1 205 . 1 . 1 19 19 CYS N N 15 121.007 0.068 . 1 . . . . . 19 CYS N . 51937 1 206 . 1 . 1 20 20 ALA H H 1 9.105 0.011 . 1 . . . . . 20 ALA H . 51937 1 207 . 1 . 1 20 20 ALA HA H 1 3.655 0.012 . 1 . . . . . 20 ALA HA . 51937 1 208 . 1 . 1 20 20 ALA HB1 H 1 1.049 0.017 . 1 . . . . . 20 ALA HB# . 51937 1 209 . 1 . 1 20 20 ALA HB2 H 1 1.049 0.017 . 1 . . . . . 20 ALA HB# . 51937 1 210 . 1 . 1 20 20 ALA HB3 H 1 1.049 0.017 . 1 . . . . . 20 ALA HB# . 51937 1 211 . 1 . 1 20 20 ALA C C 13 179.175 0.120 . 1 . . . . . 20 ALA C . 51937 1 212 . 1 . 1 20 20 ALA CA C 13 54.511 0.052 . 1 . . . . . 20 ALA CA . 51937 1 213 . 1 . 1 20 20 ALA CB C 13 16.680 0.040 . 1 . . . . . 20 ALA CB . 51937 1 214 . 1 . 1 20 20 ALA N N 15 123.940 0.098 . 1 . . . . . 20 ALA N . 51937 1 215 . 1 . 1 21 21 LYS H H 1 7.337 0.010 . 1 . . . . . 21 LYS H . 51937 1 216 . 1 . 1 21 21 LYS HA H 1 4.192 0.015 . 1 . . . . . 21 LYS HA . 51937 1 217 . 1 . 1 21 21 LYS HB2 H 1 1.928 0.012 . 2 . . . . . 21 LYS HB2 . 51937 1 218 . 1 . 1 21 21 LYS HB3 H 1 1.708 0.013 . 2 . . . . . 21 LYS HB3 . 51937 1 219 . 1 . 1 21 21 LYS HG2 H 1 1.572 0.019 . 2 . . . . . 21 LYS HG2 . 51937 1 220 . 1 . 1 21 21 LYS HG3 H 1 1.474 0.012 . 2 . . . . . 21 LYS HG3 . 51937 1 221 . 1 . 1 21 21 LYS HE2 H 1 2.970 0.024 . 2 . . . . . 21 LYS HE2 . 51937 1 222 . 1 . 1 21 21 LYS HE3 H 1 2.970 0.024 . 2 . . . . . 21 LYS HE3 . 51937 1 223 . 1 . 1 21 21 LYS C C 13 178.022 0.016 . 1 . . . . . 21 LYS C . 51937 1 224 . 1 . 1 21 21 LYS CA C 13 57.848 0.058 . 1 . . . . . 21 LYS CA . 51937 1 225 . 1 . 1 21 21 LYS CB C 13 31.873 0.216 . 1 . . . . . 21 LYS CB . 51937 1 226 . 1 . 1 21 21 LYS CG C 13 24.428 0.015 . 1 . . . . . 21 LYS CG . 51937 1 227 . 1 . 1 21 21 LYS CD C 13 28.362 0.000 . 1 . . . . . 21 LYS CD . 51937 1 228 . 1 . 1 21 21 LYS CE C 13 41.687 0.026 . 1 . . . . . 21 LYS CE . 51937 1 229 . 1 . 1 21 21 LYS N N 15 116.380 0.063 . 1 . . . . . 21 LYS N . 51937 1 230 . 1 . 1 22 22 GLU H H 1 8.020 0.011 . 1 . . . . . 22 GLU H . 51937 1 231 . 1 . 1 22 22 GLU HA H 1 3.893 0.024 . 1 . . . . . 22 GLU HA . 51937 1 232 . 1 . 1 22 22 GLU HB2 H 1 2.112 0.010 . 2 . . . . . 22 GLU HB2 . 51937 1 233 . 1 . 1 22 22 GLU HB3 H 1 1.836 0.016 . 2 . . . . . 22 GLU HB3 . 51937 1 234 . 1 . 1 22 22 GLU HG2 H 1 2.286 0.013 . 2 . . . . . 22 GLU HG2 . 51937 1 235 . 1 . 1 22 22 GLU HG3 H 1 2.286 0.013 . 2 . . . . . 22 GLU HG3 . 51937 1 236 . 1 . 1 22 22 GLU C C 13 176.894 0.003 . 1 . . . . . 22 GLU C . 51937 1 237 . 1 . 1 22 22 GLU CA C 13 59.063 0.121 . 1 . . . . . 22 GLU CA . 51937 1 238 . 1 . 1 22 22 GLU CB C 13 29.740 0.044 . 1 . . . . . 22 GLU CB . 51937 1 239 . 1 . 1 22 22 GLU CG C 13 35.758 0.065 . 1 . . . . . 22 GLU CG . 51937 1 240 . 1 . 1 22 22 GLU N N 15 119.718 0.114 . 1 . . . . . 22 GLU N . 51937 1 241 . 1 . 1 23 23 TYR H H 1 8.071 0.013 . 1 . . . . . 23 TYR H . 51937 1 242 . 1 . 1 23 23 TYR HA H 1 4.393 0.009 . 1 . . . . . 23 TYR HA . 51937 1 243 . 1 . 1 23 23 TYR HB2 H 1 3.200 0.009 . 2 . . . . . 23 TYR HB2 . 51937 1 244 . 1 . 1 23 23 TYR HB3 H 1 2.608 0.009 . 2 . . . . . 23 TYR HB3 . 51937 1 245 . 1 . 1 23 23 TYR C C 13 173.370 0.006 . 1 . . . . . 23 TYR C . 51937 1 246 . 1 . 1 23 23 TYR CA C 13 57.818 0.067 . 1 . . . . . 23 TYR CA . 51937 1 247 . 1 . 1 23 23 TYR CB C 13 37.371 0.046 . 1 . . . . . 23 TYR CB . 51937 1 248 . 1 . 1 23 23 TYR N N 15 113.456 0.045 . 1 . . . . . 23 TYR N . 51937 1 249 . 1 . 1 24 24 ASN H H 1 7.579 0.020 . 1 . . . . . 24 ASN H . 51937 1 250 . 1 . 1 24 24 ASN HA H 1 4.437 0.009 . 1 . . . . . 24 ASN HA . 51937 1 251 . 1 . 1 24 24 ASN HB2 H 1 3.082 0.013 . 2 . . . . . 24 ASN HB2 . 51937 1 252 . 1 . 1 24 24 ASN HB3 H 1 2.663 0.014 . 2 . . . . . 24 ASN HB3 . 51937 1 253 . 1 . 1 24 24 ASN C C 13 173.957 0.004 . 1 . . . . . 24 ASN C . 51937 1 254 . 1 . 1 24 24 ASN CA C 13 53.521 0.066 . 1 . . . . . 24 ASN CA . 51937 1 255 . 1 . 1 24 24 ASN CB C 13 36.547 0.067 . 1 . . . . . 24 ASN CB . 51937 1 256 . 1 . 1 24 24 ASN N N 15 119.625 0.046 . 1 . . . . . 24 ASN N . 51937 1 257 . 1 . 1 25 25 LEU H H 1 8.208 0.008 . 1 . . . . . 25 LEU H . 51937 1 258 . 1 . 1 25 25 LEU HA H 1 4.529 0.011 . 1 . . . . . 25 LEU HA . 51937 1 259 . 1 . 1 25 25 LEU HB2 H 1 1.606 0.011 . 2 . . . . . 25 LEU HB2 . 51937 1 260 . 1 . 1 25 25 LEU HB3 H 1 1.432 0.010 . 2 . . . . . 25 LEU HB3 . 51937 1 261 . 1 . 1 25 25 LEU C C 13 174.249 0.000 . 1 . . . . . 25 LEU C . 51937 1 262 . 1 . 1 25 25 LEU CA C 13 52.670 0.125 . 1 . . . . . 25 LEU CA . 51937 1 263 . 1 . 1 25 25 LEU CB C 13 40.019 0.046 . 1 . . . . . 25 LEU CB . 51937 1 264 . 1 . 1 25 25 LEU N N 15 117.514 0.047 . 1 . . . . . 25 LEU N . 51937 1 265 . 1 . 1 26 26 PRO HA H 1 4.617 0.004 . 1 . . . . . 26 PRO HA . 51937 1 266 . 1 . 1 26 26 PRO HB2 H 1 2.473 0.000 . 2 . . . . . 26 PRO HB2 . 51937 1 267 . 1 . 1 26 26 PRO HB3 H 1 2.064 0.011 . 2 . . . . . 26 PRO HB3 . 51937 1 268 . 1 . 1 26 26 PRO HG2 H 1 1.731 0.000 . 2 . . . . . 26 PRO HG2 . 51937 1 269 . 1 . 1 26 26 PRO HG3 H 1 1.731 0.000 . 2 . . . . . 26 PRO HG3 . 51937 1 270 . 1 . 1 26 26 PRO HD2 H 1 3.079 0.000 . 2 . . . . . 26 PRO HD2 . 51937 1 271 . 1 . 1 26 26 PRO HD3 H 1 3.083 0.004 . 2 . . . . . 26 PRO HD3 . 51937 1 272 . 1 . 1 26 26 PRO C C 13 177.017 0.002 . 1 . . . . . 26 PRO C . 51937 1 273 . 1 . 1 26 26 PRO CA C 13 61.945 0.060 . 1 . . . . . 26 PRO CA . 51937 1 274 . 1 . 1 26 26 PRO CB C 13 31.703 0.049 . 1 . . . . . 26 PRO CB . 51937 1 275 . 1 . 1 26 26 PRO CG C 13 26.754 0.000 . 1 . . . . . 26 PRO CG . 51937 1 276 . 1 . 1 26 26 PRO CD C 13 49.840 0.000 . 1 . . . . . 26 PRO CD . 51937 1 277 . 1 . 1 27 27 GLU H H 1 9.061 0.039 . 1 . . . . . 27 GLU H . 51937 1 278 . 1 . 1 27 27 GLU HA H 1 4.217 0.001 . 1 . . . . . 27 GLU HA . 51937 1 279 . 1 . 1 27 27 GLU HB2 H 1 2.367 0.000 . 2 . . . . . 27 GLU HB2 . 51937 1 280 . 1 . 1 27 27 GLU HB3 H 1 2.096 0.008 . 2 . . . . . 27 GLU HB3 . 51937 1 281 . 1 . 1 27 27 GLU HG2 H 1 3.191 0.014 . 2 . . . . . 27 GLU HG2 . 51937 1 282 . 1 . 1 27 27 GLU HG3 H 1 2.830 0.020 . 2 . . . . . 27 GLU HG3 . 51937 1 283 . 1 . 1 27 27 GLU C C 13 177.765 0.016 . 1 . . . . . 27 GLU C . 51937 1 284 . 1 . 1 27 27 GLU CA C 13 59.177 0.093 . 1 . . . . . 27 GLU CA . 51937 1 285 . 1 . 1 27 27 GLU CB C 13 29.013 0.038 . 1 . . . . . 27 GLU CB . 51937 1 286 . 1 . 1 27 27 GLU CG C 13 35.823 0.000 . 1 . . . . . 27 GLU CG . 51937 1 287 . 1 . 1 27 27 GLU N N 15 124.503 0.126 . 1 . . . . . 27 GLU N . 51937 1 288 . 1 . 1 28 28 ALA H H 1 8.565 0.007 . 1 . . . . . 28 ALA H . 51937 1 289 . 1 . 1 28 28 ALA HA H 1 4.213 0.011 . 1 . . . . . 28 ALA HA . 51937 1 290 . 1 . 1 28 28 ALA HB1 H 1 1.484 0.022 . 1 . . . . . 28 ALA HB# . 51937 1 291 . 1 . 1 28 28 ALA HB2 H 1 1.484 0.022 . 1 . . . . . 28 ALA HB# . 51937 1 292 . 1 . 1 28 28 ALA HB3 H 1 1.484 0.022 . 1 . . . . . 28 ALA HB# . 51937 1 293 . 1 . 1 28 28 ALA C C 13 177.964 0.007 . 1 . . . . . 28 ALA C . 51937 1 294 . 1 . 1 28 28 ALA CA C 13 53.865 0.198 . 1 . . . . . 28 ALA CA . 51937 1 295 . 1 . 1 28 28 ALA CB C 13 18.173 0.047 . 1 . . . . . 28 ALA CB . 51937 1 296 . 1 . 1 28 28 ALA N N 15 119.622 0.044 . 1 . . . . . 28 ALA N . 51937 1 297 . 1 . 1 29 29 THR H H 1 7.935 0.014 . 1 . . . . . 29 THR H . 51937 1 298 . 1 . 1 29 29 THR HA H 1 3.929 0.012 . 1 . . . . . 29 THR HA . 51937 1 299 . 1 . 1 29 29 THR HB H 1 4.419 0.007 . 1 . . . . . 29 THR HB . 51937 1 300 . 1 . 1 29 29 THR HG21 H 1 1.177 0.013 . 1 . . . . . 29 THR QG2 . 51937 1 301 . 1 . 1 29 29 THR HG22 H 1 1.177 0.013 . 1 . . . . . 29 THR QG2 . 51937 1 302 . 1 . 1 29 29 THR HG23 H 1 1.177 0.013 . 1 . . . . . 29 THR QG2 . 51937 1 303 . 1 . 1 29 29 THR C C 13 175.020 0.003 . 1 . . . . . 29 THR C . 51937 1 304 . 1 . 1 29 29 THR CA C 13 66.065 0.031 . 1 . . . . . 29 THR CA . 51937 1 305 . 1 . 1 29 29 THR CB C 13 67.432 0.061 . 1 . . . . . 29 THR CB . 51937 1 306 . 1 . 1 29 29 THR CG2 C 13 21.940 0.026 . 1 . . . . . 29 THR CG2 . 51937 1 307 . 1 . 1 29 29 THR N N 15 114.917 0.069 . 1 . . . . . 29 THR N . 51937 1 308 . 1 . 1 30 30 GLY H H 1 7.448 0.014 . 1 . . . . . 30 GLY H . 51937 1 309 . 1 . 1 30 30 GLY HA2 H 1 3.625 0.021 . 2 . . . . . 30 GLY HA2 . 51937 1 310 . 1 . 1 30 30 GLY HA3 H 1 2.946 0.021 . 2 . . . . . 30 GLY HA3 . 51937 1 311 . 1 . 1 30 30 GLY C C 13 174.713 0.017 . 1 . . . . . 30 GLY C . 51937 1 312 . 1 . 1 30 30 GLY CA C 13 45.117 0.020 . 1 . . . . . 30 GLY CA . 51937 1 313 . 1 . 1 30 30 GLY N N 15 107.677 0.045 . 1 . . . . . 30 GLY N . 51937 1 314 . 1 . 1 31 31 SER H H 1 7.535 0.007 . 1 . . . . . 31 SER H . 51937 1 315 . 1 . 1 31 31 SER HA H 1 4.140 0.013 . 1 . . . . . 31 SER HA . 51937 1 316 . 1 . 1 31 31 SER HB2 H 1 3.923 0.012 . 2 . . . . . 31 SER HB2 . 51937 1 317 . 1 . 1 31 31 SER HB3 H 1 3.923 0.012 . 2 . . . . . 31 SER HB3 . 51937 1 318 . 1 . 1 31 31 SER C C 13 174.745 0.018 . 1 . . . . . 31 SER C . 51937 1 319 . 1 . 1 31 31 SER CA C 13 60.616 0.068 . 1 . . . . . 31 SER CA . 51937 1 320 . 1 . 1 31 31 SER CB C 13 62.380 0.241 . 1 . . . . . 31 SER CB . 51937 1 321 . 1 . 1 31 31 SER N N 15 115.677 0.042 . 1 . . . . . 31 SER N . 51937 1 322 . 1 . 1 32 32 GLU H H 1 7.584 0.014 . 1 . . . . . 32 GLU H . 51937 1 323 . 1 . 1 32 32 GLU HA H 1 4.156 0.029 . 1 . . . . . 32 GLU HA . 51937 1 324 . 1 . 1 32 32 GLU HB2 H 1 2.252 0.012 . 2 . . . . . 32 GLU HB2 . 51937 1 325 . 1 . 1 32 32 GLU HB3 H 1 2.252 0.012 . 2 . . . . . 32 GLU HB3 . 51937 1 326 . 1 . 1 32 32 GLU HG2 H 1 2.516 0.009 . 2 . . . . . 32 GLU HG2 . 51937 1 327 . 1 . 1 32 32 GLU HG3 H 1 2.516 0.009 . 2 . . . . . 32 GLU HG3 . 51937 1 328 . 1 . 1 32 32 GLU C C 13 177.463 0.017 . 1 . . . . . 32 GLU C . 51937 1 329 . 1 . 1 32 32 GLU CA C 13 59.006 0.085 . 1 . . . . . 32 GLU CA . 51937 1 330 . 1 . 1 32 32 GLU CB C 13 29.649 0.194 . 1 . . . . . 32 GLU CB . 51937 1 331 . 1 . 1 32 32 GLU CG C 13 36.205 0.054 . 1 . . . . . 32 GLU CG . 51937 1 332 . 1 . 1 32 32 GLU N N 15 121.718 0.164 . 1 . . . . . 32 GLU N . 51937 1 333 . 1 . 1 33 33 LEU H H 1 7.596 0.010 . 1 . . . . . 33 LEU H . 51937 1 334 . 1 . 1 33 33 LEU HA H 1 4.113 0.026 . 1 . . . . . 33 LEU HA . 51937 1 335 . 1 . 1 33 33 LEU HB2 H 1 1.899 0.002 . 2 . . . . . 33 LEU HB2 . 51937 1 336 . 1 . 1 33 33 LEU HB3 H 1 1.812 0.002 . 2 . . . . . 33 LEU HB3 . 51937 1 337 . 1 . 1 33 33 LEU HG H 1 1.728 0.004 . 1 . . . . . 33 LEU HG . 51937 1 338 . 1 . 1 33 33 LEU HD11 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD1 . 51937 1 339 . 1 . 1 33 33 LEU HD12 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD1 . 51937 1 340 . 1 . 1 33 33 LEU HD13 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD1 . 51937 1 341 . 1 . 1 33 33 LEU HD21 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD2 . 51937 1 342 . 1 . 1 33 33 LEU HD22 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD2 . 51937 1 343 . 1 . 1 33 33 LEU HD23 H 1 1.218 0.008 . 2 . . . . . 33 LEU QD2 . 51937 1 344 . 1 . 1 33 33 LEU C C 13 178.055 0.008 . 1 . . . . . 33 LEU C . 51937 1 345 . 1 . 1 33 33 LEU CA C 13 56.944 0.086 . 1 . . . . . 33 LEU CA . 51937 1 346 . 1 . 1 33 33 LEU CB C 13 41.959 0.094 . 1 . . . . . 33 LEU CB . 51937 1 347 . 1 . 1 33 33 LEU CG C 13 28.157 0.095 . 1 . . . . . 33 LEU CG . 51937 1 348 . 1 . 1 33 33 LEU CD1 C 13 26.410 0.000 . 1 . . . . . 33 LEU CD1 . 51937 1 349 . 1 . 1 33 33 LEU CD2 C 13 24.523 0.000 . 1 . . . . . 33 LEU CD2 . 51937 1 350 . 1 . 1 33 33 LEU N N 15 116.244 0.092 . 1 . . . . . 33 LEU N . 51937 1 351 . 1 . 1 34 34 ILE H H 1 8.066 0.016 . 1 . . . . . 34 ILE H . 51937 1 352 . 1 . 1 34 34 ILE HA H 1 3.789 0.009 . 1 . . . . . 34 ILE HA . 51937 1 353 . 1 . 1 34 34 ILE HB H 1 1.914 0.002 . 1 . . . . . 34 ILE HB . 51937 1 354 . 1 . 1 34 34 ILE C C 13 174.671 0.012 . 1 . . . . . 34 ILE C . 51937 1 355 . 1 . 1 34 34 ILE CA C 13 63.677 0.191 . 1 . . . . . 34 ILE CA . 51937 1 356 . 1 . 1 34 34 ILE CB C 13 36.994 0.088 . 1 . . . . . 34 ILE CB . 51937 1 357 . 1 . 1 34 34 ILE N N 15 116.513 0.122 . 1 . . . . . 34 ILE N . 51937 1 358 . 1 . 1 35 35 ASN H H 1 6.690 0.013 . 1 . . . . . 35 ASN H . 51937 1 359 . 1 . 1 35 35 ASN HA H 1 4.770 0.040 . 1 . . . . . 35 ASN HA . 51937 1 360 . 1 . 1 35 35 ASN HB2 H 1 1.958 0.006 . 2 . . . . . 35 ASN HB2 . 51937 1 361 . 1 . 1 35 35 ASN HB3 H 1 1.674 0.000 . 2 . . . . . 35 ASN HB3 . 51937 1 362 . 1 . 1 35 35 ASN C C 13 173.240 0.010 . 1 . . . . . 35 ASN C . 51937 1 363 . 1 . 1 35 35 ASN CA C 13 52.713 0.114 . 1 . . . . . 35 ASN CA . 51937 1 364 . 1 . 1 35 35 ASN CB C 13 37.904 0.018 . 1 . . . . . 35 ASN CB . 51937 1 365 . 1 . 1 35 35 ASN N N 15 115.030 0.086 . 1 . . . . . 35 ASN N . 51937 1 366 . 1 . 1 36 36 PHE H H 1 7.673 0.008 . 1 . . . . . 36 PHE H . 51937 1 367 . 1 . 1 36 36 PHE HA H 1 3.753 0.011 . 1 . . . . . 36 PHE HA . 51937 1 368 . 1 . 1 36 36 PHE HB2 H 1 3.602 0.034 . 2 . . . . . 36 PHE HB2 . 51937 1 369 . 1 . 1 36 36 PHE HB3 H 1 2.297 0.008 . 2 . . . . . 36 PHE HB3 . 51937 1 370 . 1 . 1 36 36 PHE C C 13 174.901 0.000 . 1 . . . . . 36 PHE C . 51937 1 371 . 1 . 1 36 36 PHE CA C 13 62.855 0.055 . 1 . . . . . 36 PHE CA . 51937 1 372 . 1 . 1 36 36 PHE CB C 13 40.245 0.145 . 1 . . . . . 36 PHE CB . 51937 1 373 . 1 . 1 36 36 PHE N N 15 118.544 0.085 . 1 . . . . . 36 PHE N . 51937 1 374 . 1 . 1 37 37 TRP H H 1 9.487 0.047 . 1 . . . . . 37 TRP H . 51937 1 375 . 1 . 1 37 37 TRP HA H 1 4.638 0.041 . 1 . . . . . 37 TRP HA . 51937 1 376 . 1 . 1 37 37 TRP HB2 H 1 3.224 0.006 . 2 . . . . . 37 TRP HB2 . 51937 1 377 . 1 . 1 37 37 TRP HB3 H 1 3.224 0.006 . 2 . . . . . 37 TRP HB3 . 51937 1 378 . 1 . 1 37 37 TRP C C 13 174.329 0.009 . 1 . . . . . 37 TRP C . 51937 1 379 . 1 . 1 37 37 TRP CA C 13 56.515 0.048 . 1 . . . . . 37 TRP CA . 51937 1 380 . 1 . 1 37 37 TRP CB C 13 28.931 0.052 . 1 . . . . . 37 TRP CB . 51937 1 381 . 1 . 1 37 37 TRP N N 15 113.964 0.048 . 1 . . . . . 37 TRP N . 51937 1 382 . 1 . 1 38 38 LYS H H 1 7.927 0.013 . 1 . . . . . 38 LYS H . 51937 1 383 . 1 . 1 38 38 LYS HA H 1 3.835 0.008 . 1 . . . . . 38 LYS HA . 51937 1 384 . 1 . 1 38 38 LYS HB2 H 1 1.552 0.005 . 2 . . . . . 38 LYS HB2 . 51937 1 385 . 1 . 1 38 38 LYS HB3 H 1 1.552 0.005 . 2 . . . . . 38 LYS HB3 . 51937 1 386 . 1 . 1 38 38 LYS HG2 H 1 0.600 0.043 . 2 . . . . . 38 LYS HG2 . 51937 1 387 . 1 . 1 38 38 LYS HG3 H 1 0.600 0.043 . 2 . . . . . 38 LYS HG3 . 51937 1 388 . 1 . 1 38 38 LYS C C 13 177.071 0.002 . 1 . . . . . 38 LYS C . 51937 1 389 . 1 . 1 38 38 LYS CA C 13 56.948 0.032 . 1 . . . . . 38 LYS CA . 51937 1 390 . 1 . 1 38 38 LYS CB C 13 32.056 0.080 . 1 . . . . . 38 LYS CB . 51937 1 391 . 1 . 1 38 38 LYS N N 15 124.321 0.063 . 1 . . . . . 38 LYS N . 51937 1 392 . 1 . 1 39 39 GLU H H 1 9.389 0.005 . 1 . . . . . 39 GLU H . 51937 1 393 . 1 . 1 39 39 GLU HA H 1 3.947 0.007 . 1 . . . . . 39 GLU HA . 51937 1 394 . 1 . 1 39 39 GLU HB2 H 1 1.979 0.000 . 2 . . . . . 39 GLU HB2 . 51937 1 395 . 1 . 1 39 39 GLU HB3 H 1 1.943 0.000 . 2 . . . . . 39 GLU HB3 . 51937 1 396 . 1 . 1 39 39 GLU HG2 H 1 2.155 0.001 . 2 . . . . . 39 GLU HG2 . 51937 1 397 . 1 . 1 39 39 GLU HG3 H 1 2.155 0.001 . 2 . . . . . 39 GLU HG3 . 51937 1 398 . 1 . 1 39 39 GLU C C 13 176.624 0.027 . 1 . . . . . 39 GLU C . 51937 1 399 . 1 . 1 39 39 GLU CA C 13 57.855 0.102 . 1 . . . . . 39 GLU CA . 51937 1 400 . 1 . 1 39 39 GLU CB C 13 28.601 0.051 . 1 . . . . . 39 GLU CB . 51937 1 401 . 1 . 1 39 39 GLU CG C 13 35.757 0.059 . 1 . . . . . 39 GLU CG . 51937 1 402 . 1 . 1 39 39 GLU N N 15 132.606 0.058 . 1 . . . . . 39 GLU N . 51937 1 403 . 1 . 1 40 40 GLY H H 1 9.072 0.011 . 1 . . . . . 40 GLY H . 51937 1 404 . 1 . 1 40 40 GLY HA2 H 1 4.073 0.035 . 2 . . . . . 40 GLY HA2 . 51937 1 405 . 1 . 1 40 40 GLY HA3 H 1 3.659 0.011 . 2 . . . . . 40 GLY HA3 . 51937 1 406 . 1 . 1 40 40 GLY C C 13 172.459 0.018 . 1 . . . . . 40 GLY C . 51937 1 407 . 1 . 1 40 40 GLY CA C 13 44.876 0.037 . 1 . . . . . 40 GLY CA . 51937 1 408 . 1 . 1 40 40 GLY N N 15 114.076 0.165 . 1 . . . . . 40 GLY N . 51937 1 409 . 1 . 1 41 41 HIS H H 1 7.450 0.009 . 1 . . . . . 41 HIS H . 51937 1 410 . 1 . 1 41 41 HIS HA H 1 4.495 0.015 . 1 . . . . . 41 HIS HA . 51937 1 411 . 1 . 1 41 41 HIS HB2 H 1 2.942 0.012 . 2 . . . . . 41 HIS HB2 . 51937 1 412 . 1 . 1 41 41 HIS HB3 H 1 2.699 0.008 . 2 . . . . . 41 HIS HB3 . 51937 1 413 . 1 . 1 41 41 HIS C C 13 172.784 0.011 . 1 . . . . . 41 HIS C . 51937 1 414 . 1 . 1 41 41 HIS CA C 13 55.746 0.204 . 1 . . . . . 41 HIS CA . 51937 1 415 . 1 . 1 41 41 HIS CB C 13 31.327 0.121 . 1 . . . . . 41 HIS CB . 51937 1 416 . 1 . 1 41 41 HIS N N 15 119.821 0.038 . 1 . . . . . 41 HIS N . 51937 1 417 . 1 . 1 42 42 GLU H H 1 7.795 0.009 . 1 . . . . . 42 GLU H . 51937 1 418 . 1 . 1 42 42 GLU HA H 1 4.335 0.010 . 1 . . . . . 42 GLU HA . 51937 1 419 . 1 . 1 42 42 GLU HB2 H 1 1.784 0.008 . 2 . . . . . 42 GLU HB2 . 51937 1 420 . 1 . 1 42 42 GLU HB3 H 1 1.615 0.011 . 2 . . . . . 42 GLU HB3 . 51937 1 421 . 1 . 1 42 42 GLU HG2 H 1 2.029 0.023 . 2 . . . . . 42 GLU HG2 . 51937 1 422 . 1 . 1 42 42 GLU HG3 H 1 1.987 0.007 . 2 . . . . . 42 GLU HG3 . 51937 1 423 . 1 . 1 42 42 GLU C C 13 173.631 0.007 . 1 . . . . . 42 GLU C . 51937 1 424 . 1 . 1 42 42 GLU CA C 13 53.886 0.053 . 1 . . . . . 42 GLU CA . 51937 1 425 . 1 . 1 42 42 GLU CB C 13 31.693 0.098 . 1 . . . . . 42 GLU CB . 51937 1 426 . 1 . 1 42 42 GLU CG C 13 35.098 0.098 . 1 . . . . . 42 GLU CG . 51937 1 427 . 1 . 1 42 42 GLU N N 15 124.138 0.073 . 1 . . . . . 42 GLU N . 51937 1 428 . 1 . 1 43 43 LEU H H 1 7.486 0.010 . 1 . . . . . 43 LEU H . 51937 1 429 . 1 . 1 43 43 LEU HA H 1 4.564 0.020 . 1 . . . . . 43 LEU HA . 51937 1 430 . 1 . 1 43 43 LEU HB2 H 1 1.955 0.036 . 2 . . . . . 43 LEU HB2 . 51937 1 431 . 1 . 1 43 43 LEU HB3 H 1 1.704 0.020 . 2 . . . . . 43 LEU HB3 . 51937 1 432 . 1 . 1 43 43 LEU HG H 1 1.328 0.014 . 1 . . . . . 43 LEU HG . 51937 1 433 . 1 . 1 43 43 LEU HD11 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD1 . 51937 1 434 . 1 . 1 43 43 LEU HD12 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD1 . 51937 1 435 . 1 . 1 43 43 LEU HD13 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD1 . 51937 1 436 . 1 . 1 43 43 LEU HD21 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD2 . 51937 1 437 . 1 . 1 43 43 LEU HD22 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD2 . 51937 1 438 . 1 . 1 43 43 LEU HD23 H 1 1.296 0.007 . 2 . . . . . 43 LEU QD2 . 51937 1 439 . 1 . 1 43 43 LEU C C 13 175.361 0.077 . 1 . . . . . 43 LEU C . 51937 1 440 . 1 . 1 43 43 LEU CA C 13 53.999 0.055 . 1 . . . . . 43 LEU CA . 51937 1 441 . 1 . 1 43 43 LEU CB C 13 41.774 0.138 . 1 . . . . . 43 LEU CB . 51937 1 442 . 1 . 1 43 43 LEU CG C 13 26.424 0.000 . 1 . . . . . 43 LEU CG . 51937 1 443 . 1 . 1 43 43 LEU CD1 C 13 23.818 0.087 . 1 . . . . . 43 LEU CD1 . 51937 1 444 . 1 . 1 43 43 LEU N N 15 122.560 0.072 . 1 . . . . . 43 LEU N . 51937 1 445 . 1 . 1 44 44 THR H H 1 9.409 0.029 . 1 . . . . . 44 THR H . 51937 1 446 . 1 . 1 44 44 THR HA H 1 4.515 0.021 . 1 . . . . . 44 THR HA . 51937 1 447 . 1 . 1 44 44 THR HB H 1 4.189 0.011 . 1 . . . . . 44 THR HB . 51937 1 448 . 1 . 1 44 44 THR HG21 H 1 1.006 0.009 . 1 . . . . . 44 THR QG2 . 51937 1 449 . 1 . 1 44 44 THR HG22 H 1 1.006 0.009 . 1 . . . . . 44 THR QG2 . 51937 1 450 . 1 . 1 44 44 THR HG23 H 1 1.006 0.009 . 1 . . . . . 44 THR QG2 . 51937 1 451 . 1 . 1 44 44 THR C C 13 174.245 0.029 . 1 . . . . . 44 THR C . 51937 1 452 . 1 . 1 44 44 THR CA C 13 61.656 0.049 . 1 . . . . . 44 THR CA . 51937 1 453 . 1 . 1 44 44 THR CB C 13 70.998 0.080 . 1 . . . . . 44 THR CB . 51937 1 454 . 1 . 1 44 44 THR CG2 C 13 21.042 0.072 . 1 . . . . . 44 THR CG2 . 51937 1 455 . 1 . 1 44 44 THR N N 15 111.739 0.175 . 1 . . . . . 44 THR N . 51937 1 456 . 1 . 1 45 45 THR H H 1 8.749 0.008 . 1 . . . . . 45 THR H . 51937 1 457 . 1 . 1 45 45 THR HA H 1 4.738 0.032 . 1 . . . . . 45 THR HA . 51937 1 458 . 1 . 1 45 45 THR HB H 1 4.566 0.009 . 1 . . . . . 45 THR HB . 51937 1 459 . 1 . 1 45 45 THR HG21 H 1 1.366 0.022 . 1 . . . . . 45 THR QG2 . 51937 1 460 . 1 . 1 45 45 THR HG22 H 1 1.366 0.022 . 1 . . . . . 45 THR QG2 . 51937 1 461 . 1 . 1 45 45 THR HG23 H 1 1.366 0.022 . 1 . . . . . 45 THR QG2 . 51937 1 462 . 1 . 1 45 45 THR C C 13 173.223 0.052 . 1 . . . . . 45 THR C . 51937 1 463 . 1 . 1 45 45 THR CA C 13 60.206 0.164 . 1 . . . . . 45 THR CA . 51937 1 464 . 1 . 1 45 45 THR CB C 13 70.752 0.058 . 1 . . . . . 45 THR CB . 51937 1 465 . 1 . 1 45 45 THR CG2 C 13 21.384 0.041 . 1 . . . . . 45 THR CG2 . 51937 1 466 . 1 . 1 45 45 THR N N 15 115.955 0.085 . 1 . . . . . 45 THR N . 51937 1 467 . 1 . 1 46 46 ARG H H 1 8.876 0.020 . 1 . . . . . 46 ARG H . 51937 1 468 . 1 . 1 46 46 ARG HA H 1 3.857 0.011 . 1 . . . . . 46 ARG HA . 51937 1 469 . 1 . 1 46 46 ARG HB2 H 1 1.829 0.022 . 2 . . . . . 46 ARG HB2 . 51937 1 470 . 1 . 1 46 46 ARG HB3 H 1 1.680 0.016 . 2 . . . . . 46 ARG HB3 . 51937 1 471 . 1 . 1 46 46 ARG C C 13 177.171 0.006 . 1 . . . . . 46 ARG C . 51937 1 472 . 1 . 1 46 46 ARG CA C 13 59.293 0.096 . 1 . . . . . 46 ARG CA . 51937 1 473 . 1 . 1 46 46 ARG CB C 13 29.308 0.062 . 1 . . . . . 46 ARG CB . 51937 1 474 . 1 . 1 46 46 ARG CD C 13 42.420 0.000 . 1 . . . . . 46 ARG CD . 51937 1 475 . 1 . 1 46 46 ARG N N 15 123.339 0.033 . 1 . . . . . 46 ARG N . 51937 1 476 . 1 . 1 47 47 GLU H H 1 9.172 0.013 . 1 . . . . . 47 GLU H . 51937 1 477 . 1 . 1 47 47 GLU HA H 1 3.782 0.011 . 1 . . . . . 47 GLU HA . 51937 1 478 . 1 . 1 47 47 GLU HB2 H 1 2.247 0.016 . 2 . . . . . 47 GLU HB2 . 51937 1 479 . 1 . 1 47 47 GLU HB3 H 1 1.949 0.012 . 2 . . . . . 47 GLU HB3 . 51937 1 480 . 1 . 1 47 47 GLU HG2 H 1 2.489 0.012 . 2 . . . . . 47 GLU HG2 . 51937 1 481 . 1 . 1 47 47 GLU HG3 H 1 2.269 0.008 . 2 . . . . . 47 GLU HG3 . 51937 1 482 . 1 . 1 47 47 GLU C C 13 176.989 0.001 . 1 . . . . . 47 GLU C . 51937 1 483 . 1 . 1 47 47 GLU CA C 13 61.375 0.066 . 1 . . . . . 47 GLU CA . 51937 1 484 . 1 . 1 47 47 GLU CB C 13 28.256 0.083 . 1 . . . . . 47 GLU CB . 51937 1 485 . 1 . 1 47 47 GLU CG C 13 37.944 0.084 . 1 . . . . . 47 GLU CG . 51937 1 486 . 1 . 1 47 47 GLU N N 15 116.766 0.049 . 1 . . . . . 47 GLU N . 51937 1 487 . 1 . 1 48 48 ALA H H 1 8.033 0.010 . 1 . . . . . 48 ALA H . 51937 1 488 . 1 . 1 48 48 ALA HA H 1 3.890 0.010 . 1 . . . . . 48 ALA HA . 51937 1 489 . 1 . 1 48 48 ALA HB1 H 1 1.496 0.010 . 1 . . . . . 48 ALA HB# . 51937 1 490 . 1 . 1 48 48 ALA HB2 H 1 1.496 0.010 . 1 . . . . . 48 ALA HB# . 51937 1 491 . 1 . 1 48 48 ALA HB3 H 1 1.496 0.010 . 1 . . . . . 48 ALA HB# . 51937 1 492 . 1 . 1 48 48 ALA C C 13 178.808 0.005 . 1 . . . . . 48 ALA C . 51937 1 493 . 1 . 1 48 48 ALA CA C 13 55.115 0.050 . 1 . . . . . 48 ALA CA . 51937 1 494 . 1 . 1 48 48 ALA CB C 13 16.889 0.048 . 1 . . . . . 48 ALA CB . 51937 1 495 . 1 . 1 48 48 ALA N N 15 122.067 0.041 . 1 . . . . . 48 ALA N . 51937 1 496 . 1 . 1 49 49 GLY H H 1 7.654 0.014 . 1 . . . . . 49 GLY H . 51937 1 497 . 1 . 1 49 49 GLY HA2 H 1 4.205 0.010 . 2 . . . . . 49 GLY HA2 . 51937 1 498 . 1 . 1 49 49 GLY HA3 H 1 3.551 0.008 . 2 . . . . . 49 GLY HA3 . 51937 1 499 . 1 . 1 49 49 GLY C C 13 174.738 0.018 . 1 . . . . . 49 GLY C . 51937 1 500 . 1 . 1 49 49 GLY CA C 13 48.099 0.049 . 1 . . . . . 49 GLY CA . 51937 1 501 . 1 . 1 49 49 GLY N N 15 105.573 0.043 . 1 . . . . . 49 GLY N . 51937 1 502 . 1 . 1 50 50 CYS H H 1 9.234 0.013 . 1 . . . . . 50 CYS H . 51937 1 503 . 1 . 1 50 50 CYS HA H 1 4.579 0.017 . 1 . . . . . 50 CYS HA . 51937 1 504 . 1 . 1 50 50 CYS HB2 H 1 2.810 0.027 . 2 . . . . . 50 CYS HB2 . 51937 1 505 . 1 . 1 50 50 CYS HB3 H 1 2.710 0.006 . 2 . . . . . 50 CYS HB3 . 51937 1 506 . 1 . 1 50 50 CYS HG H 1 0.962 0.014 . 1 . . . . . 50 CYS HG . 51937 1 507 . 1 . 1 50 50 CYS C C 13 176.776 0.015 . 1 . . . . . 50 CYS C . 51937 1 508 . 1 . 1 50 50 CYS CA C 13 54.624 0.067 . 1 . . . . . 50 CYS CA . 51937 1 509 . 1 . 1 50 50 CYS CB C 13 34.638 0.035 . 1 . . . . . 50 CYS CB . 51937 1 510 . 1 . 1 50 50 CYS N N 15 119.822 0.038 . 1 . . . . . 50 CYS N . 51937 1 511 . 1 . 1 51 51 ALA H H 1 8.709 0.011 . 1 . . . . . 51 ALA H . 51937 1 512 . 1 . 1 51 51 ALA HA H 1 3.670 0.009 . 1 . . . . . 51 ALA HA . 51937 1 513 . 1 . 1 51 51 ALA HB1 H 1 1.650 0.011 . 1 . . . . . 51 ALA HB# . 51937 1 514 . 1 . 1 51 51 ALA HB2 H 1 1.650 0.011 . 1 . . . . . 51 ALA HB# . 51937 1 515 . 1 . 1 51 51 ALA HB3 H 1 1.650 0.011 . 1 . . . . . 51 ALA HB# . 51937 1 516 . 1 . 1 51 51 ALA C C 13 177.205 0.009 . 1 . . . . . 51 ALA C . 51937 1 517 . 1 . 1 51 51 ALA CA C 13 55.767 0.049 . 1 . . . . . 51 ALA CA . 51937 1 518 . 1 . 1 51 51 ALA CB C 13 17.716 0.053 . 1 . . . . . 51 ALA CB . 51937 1 519 . 1 . 1 51 51 ALA N N 15 124.010 0.053 . 1 . . . . . 51 ALA N . 51937 1 520 . 1 . 1 52 52 ILE H H 1 8.119 0.012 . 1 . . . . . 52 ILE H . 51937 1 521 . 1 . 1 52 52 ILE HA H 1 3.792 0.004 . 1 . . . . . 52 ILE HA . 51937 1 522 . 1 . 1 52 52 ILE HB H 1 1.985 0.006 . 1 . . . . . 52 ILE HB . 51937 1 523 . 1 . 1 52 52 ILE HG12 H 1 0.943 0.026 . 2 . . . . . 52 ILE HG12 . 51937 1 524 . 1 . 1 52 52 ILE HG13 H 1 0.943 0.026 . 2 . . . . . 52 ILE HG13 . 51937 1 525 . 1 . 1 52 52 ILE HD11 H 1 0.645 0.028 . 1 . . . . . 52 ILE QD1 . 51937 1 526 . 1 . 1 52 52 ILE HD12 H 1 0.645 0.028 . 1 . . . . . 52 ILE QD1 . 51937 1 527 . 1 . 1 52 52 ILE HD13 H 1 0.645 0.028 . 1 . . . . . 52 ILE QD1 . 51937 1 528 . 1 . 1 52 52 ILE C C 13 177.701 0.011 . 1 . . . . . 52 ILE C . 51937 1 529 . 1 . 1 52 52 ILE CA C 13 65.318 0.106 . 1 . . . . . 52 ILE CA . 51937 1 530 . 1 . 1 52 52 ILE CB C 13 37.300 0.059 . 1 . . . . . 52 ILE CB . 51937 1 531 . 1 . 1 52 52 ILE CG1 C 13 29.468 0.051 . 1 . . . . . 52 ILE CG1 . 51937 1 532 . 1 . 1 52 52 ILE CG2 C 13 18.100 0.000 . 1 . . . . . 52 ILE CG2 . 51937 1 533 . 1 . 1 52 52 ILE CD1 C 13 12.878 0.030 . 1 . . . . . 52 ILE CD1 . 51937 1 534 . 1 . 1 52 52 ILE N N 15 118.990 0.053 . 1 . . . . . 52 ILE N . 51937 1 535 . 1 . 1 53 53 LEU H H 1 8.450 0.025 . 1 . . . . . 53 LEU H . 51937 1 536 . 1 . 1 53 53 LEU HA H 1 4.035 0.035 . 1 . . . . . 53 LEU HA . 51937 1 537 . 1 . 1 53 53 LEU HB2 H 1 2.008 0.013 . 2 . . . . . 53 LEU HB2 . 51937 1 538 . 1 . 1 53 53 LEU HB3 H 1 1.521 0.014 . 2 . . . . . 53 LEU HB3 . 51937 1 539 . 1 . 1 53 53 LEU C C 13 177.508 0.016 . 1 . . . . . 53 LEU C . 51937 1 540 . 1 . 1 53 53 LEU CA C 13 58.026 0.060 . 1 . . . . . 53 LEU CA . 51937 1 541 . 1 . 1 53 53 LEU CB C 13 41.803 0.088 . 1 . . . . . 53 LEU CB . 51937 1 542 . 1 . 1 53 53 LEU CG C 13 26.046 0.000 . 1 . . . . . 53 LEU CG . 51937 1 543 . 1 . 1 53 53 LEU CD1 C 13 22.679 0.000 . 1 . . . . . 53 LEU CD1 . 51937 1 544 . 1 . 1 53 53 LEU CD2 C 13 20.301 0.000 . 1 . . . . . 53 LEU CD2 . 51937 1 545 . 1 . 1 53 53 LEU N N 15 124.468 0.082 . 1 . . . . . 53 LEU N . 51937 1 546 . 1 . 1 54 54 CYS H H 1 8.355 0.014 . 1 . . . . . 54 CYS H . 51937 1 547 . 1 . 1 54 54 CYS HA H 1 4.200 0.007 . 1 . . . . . 54 CYS HA . 51937 1 548 . 1 . 1 54 54 CYS HB2 H 1 3.046 0.020 . 2 . . . . . 54 CYS HB2 . 51937 1 549 . 1 . 1 54 54 CYS HB3 H 1 3.046 0.020 . 2 . . . . . 54 CYS HB3 . 51937 1 550 . 1 . 1 54 54 CYS C C 13 175.115 0.000 . 1 . . . . . 54 CYS C . 51937 1 551 . 1 . 1 54 54 CYS CA C 13 59.532 0.090 . 1 . . . . . 54 CYS CA . 51937 1 552 . 1 . 1 54 54 CYS CB C 13 40.209 0.081 . 1 . . . . . 54 CYS CB . 51937 1 553 . 1 . 1 54 54 CYS N N 15 120.495 0.079 . 1 . . . . . 54 CYS N . 51937 1 554 . 1 . 1 55 55 MET H H 1 9.232 0.023 . 1 . . . . . 55 MET H . 51937 1 555 . 1 . 1 55 55 MET HA H 1 3.371 0.010 . 1 . . . . . 55 MET HA . 51937 1 556 . 1 . 1 55 55 MET HB2 H 1 1.680 0.005 . 2 . . . . . 55 MET HB2 . 51937 1 557 . 1 . 1 55 55 MET HB3 H 1 1.680 0.005 . 2 . . . . . 55 MET HB3 . 51937 1 558 . 1 . 1 55 55 MET HG2 H 1 2.706 0.015 . 2 . . . . . 55 MET HG2 . 51937 1 559 . 1 . 1 55 55 MET HG3 H 1 2.706 0.015 . 2 . . . . . 55 MET HG3 . 51937 1 560 . 1 . 1 55 55 MET HE1 H 1 1.203 0.008 . 1 . . . . . 55 MET HE# . 51937 1 561 . 1 . 1 55 55 MET HE2 H 1 1.203 0.008 . 1 . . . . . 55 MET HE# . 51937 1 562 . 1 . 1 55 55 MET HE3 H 1 1.203 0.008 . 1 . . . . . 55 MET HE# . 51937 1 563 . 1 . 1 55 55 MET C C 13 175.928 0.006 . 1 . . . . . 55 MET C . 51937 1 564 . 1 . 1 55 55 MET CA C 13 59.435 0.140 . 1 . . . . . 55 MET CA . 51937 1 565 . 1 . 1 55 55 MET CB C 13 33.919 0.125 . 1 . . . . . 55 MET CB . 51937 1 566 . 1 . 1 55 55 MET CG C 13 31.670 0.046 . 1 . . . . . 55 MET CG . 51937 1 567 . 1 . 1 55 55 MET CE C 13 17.801 0.000 . 1 . . . . . 55 MET CE . 51937 1 568 . 1 . 1 55 55 MET N N 15 123.770 0.165 . 1 . . . . . 55 MET N . 51937 1 569 . 1 . 1 56 56 SER H H 1 8.156 0.011 . 1 . . . . . 56 SER H . 51937 1 570 . 1 . 1 56 56 SER HA H 1 3.983 0.030 . 1 . . . . . 56 SER HA . 51937 1 571 . 1 . 1 56 56 SER HB2 H 1 3.688 0.008 . 2 . . . . . 56 SER HB2 . 51937 1 572 . 1 . 1 56 56 SER HB3 H 1 3.688 0.008 . 2 . . . . . 56 SER HB3 . 51937 1 573 . 1 . 1 56 56 SER C C 13 174.539 0.000 . 1 . . . . . 56 SER C . 51937 1 574 . 1 . 1 56 56 SER CA C 13 62.460 0.078 . 1 . . . . . 56 SER CA . 51937 1 575 . 1 . 1 56 56 SER N N 15 112.897 0.064 . 1 . . . . . 56 SER N . 51937 1 576 . 1 . 1 57 57 THR H H 1 7.842 0.015 . 1 . . . . . 57 THR H . 51937 1 577 . 1 . 1 57 57 THR HA H 1 4.463 0.014 . 1 . . . . . 57 THR HA . 51937 1 578 . 1 . 1 57 57 THR HB H 1 4.166 0.010 . 1 . . . . . 57 THR HB . 51937 1 579 . 1 . 1 57 57 THR HG21 H 1 1.246 0.013 . 1 . . . . . 57 THR QG2 . 51937 1 580 . 1 . 1 57 57 THR HG22 H 1 1.246 0.013 . 1 . . . . . 57 THR QG2 . 51937 1 581 . 1 . 1 57 57 THR HG23 H 1 1.246 0.013 . 1 . . . . . 57 THR QG2 . 51937 1 582 . 1 . 1 57 57 THR C C 13 177.618 0.015 . 1 . . . . . 57 THR C . 51937 1 583 . 1 . 1 57 57 THR CA C 13 65.916 0.032 . 1 . . . . . 57 THR CA . 51937 1 584 . 1 . 1 57 57 THR CB C 13 68.082 0.119 . 1 . . . . . 57 THR CB . 51937 1 585 . 1 . 1 57 57 THR CG2 C 13 20.428 0.027 . 1 . . . . . 57 THR CG2 . 51937 1 586 . 1 . 1 57 57 THR N N 15 118.412 0.055 . 1 . . . . . 57 THR N . 51937 1 587 . 1 . 1 58 58 LYS H H 1 8.646 0.008 . 1 . . . . . 58 LYS H . 51937 1 588 . 1 . 1 58 58 LYS HA H 1 4.084 0.034 . 1 . . . . . 58 LYS HA . 51937 1 589 . 1 . 1 58 58 LYS HB2 H 1 1.946 0.012 . 2 . . . . . 58 LYS HB2 . 51937 1 590 . 1 . 1 58 58 LYS HB3 H 1 1.797 0.011 . 2 . . . . . 58 LYS HB3 . 51937 1 591 . 1 . 1 58 58 LYS HG2 H 1 1.702 0.010 . 2 . . . . . 58 LYS HG2 . 51937 1 592 . 1 . 1 58 58 LYS HG3 H 1 1.702 0.010 . 2 . . . . . 58 LYS HG3 . 51937 1 593 . 1 . 1 58 58 LYS HD2 H 1 1.639 0.005 . 2 . . . . . 58 LYS HD2 . 51937 1 594 . 1 . 1 58 58 LYS HD3 H 1 1.639 0.005 . 2 . . . . . 58 LYS HD3 . 51937 1 595 . 1 . 1 58 58 LYS C C 13 177.333 0.002 . 1 . . . . . 58 LYS C . 51937 1 596 . 1 . 1 58 58 LYS CA C 13 57.268 0.088 . 1 . . . . . 58 LYS CA . 51937 1 597 . 1 . 1 58 58 LYS CB C 13 30.783 0.114 . 1 . . . . . 58 LYS CB . 51937 1 598 . 1 . 1 58 58 LYS CG C 13 24.394 0.035 . 1 . . . . . 58 LYS CG . 51937 1 599 . 1 . 1 58 58 LYS CD C 13 27.531 0.134 . 1 . . . . . 58 LYS CD . 51937 1 600 . 1 . 1 58 58 LYS CE C 13 41.789 0.000 . 1 . . . . . 58 LYS CE . 51937 1 601 . 1 . 1 58 58 LYS N N 15 123.631 0.068 . 1 . . . . . 58 LYS N . 51937 1 602 . 1 . 1 59 59 LEU H H 1 7.159 0.012 . 1 . . . . . 59 LEU H . 51937 1 603 . 1 . 1 59 59 LEU HA H 1 4.231 0.017 . 1 . . . . . 59 LEU HA . 51937 1 604 . 1 . 1 59 59 LEU HB2 H 1 1.520 0.041 . 2 . . . . . 59 LEU HB2 . 51937 1 605 . 1 . 1 59 59 LEU HB3 H 1 1.395 0.037 . 2 . . . . . 59 LEU HB3 . 51937 1 606 . 1 . 1 59 59 LEU HD11 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD1 . 51937 1 607 . 1 . 1 59 59 LEU HD12 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD1 . 51937 1 608 . 1 . 1 59 59 LEU HD13 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD1 . 51937 1 609 . 1 . 1 59 59 LEU HD21 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD2 . 51937 1 610 . 1 . 1 59 59 LEU HD22 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD2 . 51937 1 611 . 1 . 1 59 59 LEU HD23 H 1 0.913 0.003 . 2 . . . . . 59 LEU QD2 . 51937 1 612 . 1 . 1 59 59 LEU C C 13 174.014 0.000 . 1 . . . . . 59 LEU C . 51937 1 613 . 1 . 1 59 59 LEU CA C 13 53.926 0.058 . 1 . . . . . 59 LEU CA . 51937 1 614 . 1 . 1 59 59 LEU CB C 13 41.590 0.100 . 1 . . . . . 59 LEU CB . 51937 1 615 . 1 . 1 59 59 LEU CG C 13 25.778 0.000 . 1 . . . . . 59 LEU CG . 51937 1 616 . 1 . 1 59 59 LEU CD1 C 13 22.479 0.000 . 1 . . . . . 59 LEU CD1 . 51937 1 617 . 1 . 1 59 59 LEU N N 15 117.460 0.058 . 1 . . . . . 59 LEU N . 51937 1 618 . 1 . 1 60 60 ASN H H 1 7.907 0.008 . 1 . . . . . 60 ASN H . 51937 1 619 . 1 . 1 60 60 ASN HA H 1 4.593 0.015 . 1 . . . . . 60 ASN HA . 51937 1 620 . 1 . 1 60 60 ASN HB2 H 1 3.058 0.013 . 2 . . . . . 60 ASN HB2 . 51937 1 621 . 1 . 1 60 60 ASN HB3 H 1 2.680 0.014 . 2 . . . . . 60 ASN HB3 . 51937 1 622 . 1 . 1 60 60 ASN C C 13 173.589 0.003 . 1 . . . . . 60 ASN C . 51937 1 623 . 1 . 1 60 60 ASN CA C 13 53.588 0.052 . 1 . . . . . 60 ASN CA . 51937 1 624 . 1 . 1 60 60 ASN CB C 13 36.584 0.060 . 1 . . . . . 60 ASN CB . 51937 1 625 . 1 . 1 60 60 ASN N N 15 114.765 0.053 . 1 . . . . . 60 ASN N . 51937 1 626 . 1 . 1 61 61 LEU H H 1 7.988 0.011 . 1 . . . . . 61 LEU H . 51937 1 627 . 1 . 1 61 61 LEU HA H 1 4.240 0.035 . 1 . . . . . 61 LEU HA . 51937 1 628 . 1 . 1 61 61 LEU HB2 H 1 1.853 0.006 . 2 . . . . . 61 LEU HB2 . 51937 1 629 . 1 . 1 61 61 LEU HB3 H 1 1.445 0.127 . 2 . . . . . 61 LEU HB3 . 51937 1 630 . 1 . 1 61 61 LEU HG H 1 0.625 0.003 . 1 . . . . . 61 LEU HG . 51937 1 631 . 1 . 1 61 61 LEU HD11 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD1 . 51937 1 632 . 1 . 1 61 61 LEU HD12 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD1 . 51937 1 633 . 1 . 1 61 61 LEU HD13 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD1 . 51937 1 634 . 1 . 1 61 61 LEU HD21 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD2 . 51937 1 635 . 1 . 1 61 61 LEU HD22 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD2 . 51937 1 636 . 1 . 1 61 61 LEU HD23 H 1 0.489 0.017 . 2 . . . . . 61 LEU QD2 . 51937 1 637 . 1 . 1 61 61 LEU C C 13 174.889 0.016 . 1 . . . . . 61 LEU C . 51937 1 638 . 1 . 1 61 61 LEU CA C 13 54.927 0.083 . 1 . . . . . 61 LEU CA . 51937 1 639 . 1 . 1 61 61 LEU CB C 13 40.406 0.052 . 1 . . . . . 61 LEU CB . 51937 1 640 . 1 . 1 61 61 LEU CG C 13 26.087 0.133 . 1 . . . . . 61 LEU CG . 51937 1 641 . 1 . 1 61 61 LEU CD1 C 13 24.514 0.000 . 1 . . . . . 61 LEU CD1 . 51937 1 642 . 1 . 1 61 61 LEU CD2 C 13 20.659 0.057 . 1 . . . . . 61 LEU CD2 . 51937 1 643 . 1 . 1 61 61 LEU N N 15 111.869 0.038 . 1 . . . . . 61 LEU N . 51937 1 644 . 1 . 1 62 62 LEU H H 1 7.267 0.012 . 1 . . . . . 62 LEU H . 51937 1 645 . 1 . 1 62 62 LEU HA H 1 5.106 0.071 . 1 . . . . . 62 LEU HA . 51937 1 646 . 1 . 1 62 62 LEU HB2 H 1 1.736 0.009 . 2 . . . . . 62 LEU HB2 . 51937 1 647 . 1 . 1 62 62 LEU HB3 H 1 1.206 0.012 . 2 . . . . . 62 LEU HB3 . 51937 1 648 . 1 . 1 62 62 LEU HG H 1 1.235 0.006 . 1 . . . . . 62 LEU HG . 51937 1 649 . 1 . 1 62 62 LEU HD11 H 1 0.792 0.004 . 2 . . . . . 62 LEU QD1 . 51937 1 650 . 1 . 1 62 62 LEU HD12 H 1 0.792 0.004 . 2 . . . . . 62 LEU QD1 . 51937 1 651 . 1 . 1 62 62 LEU HD13 H 1 0.792 0.004 . 2 . . . . . 62 LEU QD1 . 51937 1 652 . 1 . 1 62 62 LEU HD21 H 1 0.562 0.018 . 2 . . . . . 62 LEU QD2 . 51937 1 653 . 1 . 1 62 62 LEU HD22 H 1 0.562 0.018 . 2 . . . . . 62 LEU QD2 . 51937 1 654 . 1 . 1 62 62 LEU HD23 H 1 0.562 0.018 . 2 . . . . . 62 LEU QD2 . 51937 1 655 . 1 . 1 62 62 LEU C C 13 176.800 0.003 . 1 . . . . . 62 LEU C . 51937 1 656 . 1 . 1 62 62 LEU CA C 13 52.038 0.088 . 1 . . . . . 62 LEU CA . 51937 1 657 . 1 . 1 62 62 LEU CB C 13 43.184 0.040 . 1 . . . . . 62 LEU CB . 51937 1 658 . 1 . 1 62 62 LEU CG C 13 26.568 0.091 . 1 . . . . . 62 LEU CG . 51937 1 659 . 1 . 1 62 62 LEU CD1 C 13 25.040 0.133 . 1 . . . . . 62 LEU CD1 . 51937 1 660 . 1 . 1 62 62 LEU CD2 C 13 21.448 0.039 . 1 . . . . . 62 LEU CD2 . 51937 1 661 . 1 . 1 62 62 LEU N N 15 114.079 0.081 . 1 . . . . . 62 LEU N . 51937 1 662 . 1 . 1 63 63 ASP H H 1 9.492 0.033 . 1 . . . . . 63 ASP H . 51937 1 663 . 1 . 1 63 63 ASP HA H 1 4.719 0.012 . 1 . . . . . 63 ASP HA . 51937 1 664 . 1 . 1 63 63 ASP HB2 H 1 3.481 0.020 . 2 . . . . . 63 ASP HB2 . 51937 1 665 . 1 . 1 63 63 ASP HB3 H 1 2.671 0.012 . 2 . . . . . 63 ASP HB3 . 51937 1 666 . 1 . 1 63 63 ASP C C 13 177.195 0.004 . 1 . . . . . 63 ASP C . 51937 1 667 . 1 . 1 63 63 ASP CA C 13 51.499 0.078 . 1 . . . . . 63 ASP CA . 51937 1 668 . 1 . 1 63 63 ASP CB C 13 41.388 0.048 . 1 . . . . . 63 ASP CB . 51937 1 669 . 1 . 1 63 63 ASP N N 15 122.642 0.028 . 1 . . . . . 63 ASP N . 51937 1 670 . 1 . 1 64 64 VAL H H 1 8.126 0.007 . 1 . . . . . 64 VAL H . 51937 1 671 . 1 . 1 64 64 VAL HA H 1 3.963 0.010 . 1 . . . . . 64 VAL HA . 51937 1 672 . 1 . 1 64 64 VAL HB H 1 2.237 0.004 . 1 . . . . . 64 VAL HB . 51937 1 673 . 1 . 1 64 64 VAL HG11 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG1 . 51937 1 674 . 1 . 1 64 64 VAL HG12 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG1 . 51937 1 675 . 1 . 1 64 64 VAL HG13 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG1 . 51937 1 676 . 1 . 1 64 64 VAL HG21 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG2 . 51937 1 677 . 1 . 1 64 64 VAL HG22 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG2 . 51937 1 678 . 1 . 1 64 64 VAL HG23 H 1 1.036 0.005 . 2 . . . . . 64 VAL QG2 . 51937 1 679 . 1 . 1 64 64 VAL C C 13 175.823 0.006 . 1 . . . . . 64 VAL C . 51937 1 680 . 1 . 1 64 64 VAL CA C 13 64.158 0.031 . 1 . . . . . 64 VAL CA . 51937 1 681 . 1 . 1 64 64 VAL CB C 13 31.293 0.051 . 1 . . . . . 64 VAL CB . 51937 1 682 . 1 . 1 64 64 VAL CG1 C 13 20.194 0.035 . 1 . . . . . 64 VAL CG1 . 51937 1 683 . 1 . 1 64 64 VAL N N 15 115.487 0.033 . 1 . . . . . 64 VAL N . 51937 1 684 . 1 . 1 65 65 GLN H H 1 8.004 0.009 . 1 . . . . . 65 GLN H . 51937 1 685 . 1 . 1 65 65 GLN HA H 1 4.458 0.013 . 1 . . . . . 65 GLN HA . 51937 1 686 . 1 . 1 65 65 GLN HB2 H 1 2.248 0.006 . 2 . . . . . 65 GLN HB2 . 51937 1 687 . 1 . 1 65 65 GLN HB3 H 1 2.172 0.010 . 2 . . . . . 65 GLN HB3 . 51937 1 688 . 1 . 1 65 65 GLN HG2 H 1 2.358 0.012 . 2 . . . . . 65 GLN HG2 . 51937 1 689 . 1 . 1 65 65 GLN HG3 H 1 2.358 0.012 . 2 . . . . . 65 GLN HG3 . 51937 1 690 . 1 . 1 65 65 GLN C C 13 175.372 0.002 . 1 . . . . . 65 GLN C . 51937 1 691 . 1 . 1 65 65 GLN CA C 13 55.110 0.058 . 1 . . . . . 65 GLN CA . 51937 1 692 . 1 . 1 65 65 GLN CB C 13 28.426 0.080 . 1 . . . . . 65 GLN CB . 51937 1 693 . 1 . 1 65 65 GLN CG C 13 34.020 0.063 . 1 . . . . . 65 GLN CG . 51937 1 694 . 1 . 1 65 65 GLN N N 15 118.357 0.056 . 1 . . . . . 65 GLN N . 51937 1 695 . 1 . 1 66 66 GLY H H 1 8.172 0.009 . 1 . . . . . 66 GLY H . 51937 1 696 . 1 . 1 66 66 GLY HA2 H 1 4.223 0.012 . 2 . . . . . 66 GLY HA2 . 51937 1 697 . 1 . 1 66 66 GLY HA3 H 1 3.526 0.013 . 2 . . . . . 66 GLY HA3 . 51937 1 698 . 1 . 1 66 66 GLY C C 13 172.594 0.011 . 1 . . . . . 66 GLY C . 51937 1 699 . 1 . 1 66 66 GLY CA C 13 45.115 0.053 . 1 . . . . . 66 GLY CA . 51937 1 700 . 1 . 1 66 66 GLY N N 15 108.667 0.031 . 1 . . . . . 66 GLY N . 51937 1 701 . 1 . 1 67 67 SER H H 1 8.271 0.012 . 1 . . . . . 67 SER H . 51937 1 702 . 1 . 1 67 67 SER HA H 1 4.737 0.010 . 1 . . . . . 67 SER HA . 51937 1 703 . 1 . 1 67 67 SER HB2 H 1 3.868 0.014 . 2 . . . . . 67 SER HB2 . 51937 1 704 . 1 . 1 67 67 SER HB3 H 1 3.744 0.009 . 2 . . . . . 67 SER HB3 . 51937 1 705 . 1 . 1 67 67 SER C C 13 173.105 0.033 . 1 . . . . . 67 SER C . 51937 1 706 . 1 . 1 67 67 SER CA C 13 56.384 0.075 . 1 . . . . . 67 SER CA . 51937 1 707 . 1 . 1 67 67 SER CB C 13 63.466 0.190 . 1 . . . . . 67 SER CB . 51937 1 708 . 1 . 1 67 67 SER N N 15 117.755 0.076 . 1 . . . . . 67 SER N . 51937 1 709 . 1 . 1 68 68 VAL H H 1 9.272 0.011 . 1 . . . . . 68 VAL H . 51937 1 710 . 1 . 1 68 68 VAL HA H 1 3.889 0.014 . 1 . . . . . 68 VAL HA . 51937 1 711 . 1 . 1 68 68 VAL HB H 1 1.931 0.017 . 1 . . . . . 68 VAL HB . 51937 1 712 . 1 . 1 68 68 VAL HG11 H 1 0.994 0.007 . 2 . . . . . 68 VAL QG1 . 51937 1 713 . 1 . 1 68 68 VAL HG12 H 1 0.994 0.007 . 2 . . . . . 68 VAL QG1 . 51937 1 714 . 1 . 1 68 68 VAL HG13 H 1 0.994 0.007 . 2 . . . . . 68 VAL QG1 . 51937 1 715 . 1 . 1 68 68 VAL HG21 H 1 0.875 0.011 . 2 . . . . . 68 VAL QG2 . 51937 1 716 . 1 . 1 68 68 VAL HG22 H 1 0.875 0.011 . 2 . . . . . 68 VAL QG2 . 51937 1 717 . 1 . 1 68 68 VAL HG23 H 1 0.875 0.011 . 2 . . . . . 68 VAL QG2 . 51937 1 718 . 1 . 1 68 68 VAL C C 13 175.198 0.017 . 1 . . . . . 68 VAL C . 51937 1 719 . 1 . 1 68 68 VAL CA C 13 64.641 0.078 . 1 . . . . . 68 VAL CA . 51937 1 720 . 1 . 1 68 68 VAL CB C 13 31.379 0.067 . 1 . . . . . 68 VAL CB . 51937 1 721 . 1 . 1 68 68 VAL CG1 C 13 22.562 0.096 . 1 . . . . . 68 VAL CG1 . 51937 1 722 . 1 . 1 68 68 VAL CG2 C 13 20.963 0.026 . 1 . . . . . 68 VAL CG2 . 51937 1 723 . 1 . 1 68 68 VAL N N 15 125.547 0.054 . 1 . . . . . 68 VAL N . 51937 1 724 . 1 . 1 69 69 HIS H H 1 9.707 0.015 . 1 . . . . . 69 HIS H . 51937 1 725 . 1 . 1 69 69 HIS HA H 1 4.421 0.007 . 1 . . . . . 69 HIS HA . 51937 1 726 . 1 . 1 69 69 HIS HB2 H 1 3.096 0.023 . 2 . . . . . 69 HIS HB2 . 51937 1 727 . 1 . 1 69 69 HIS HB3 H 1 2.579 0.025 . 2 . . . . . 69 HIS HB3 . 51937 1 728 . 1 . 1 69 69 HIS C C 13 174.978 0.002 . 1 . . . . . 69 HIS C . 51937 1 729 . 1 . 1 69 69 HIS CA C 13 56.415 0.066 . 1 . . . . . 69 HIS CA . 51937 1 730 . 1 . 1 69 69 HIS CB C 13 31.314 0.070 . 1 . . . . . 69 HIS CB . 51937 1 731 . 1 . 1 69 69 HIS N N 15 133.136 0.068 . 1 . . . . . 69 HIS N . 51937 1 732 . 1 . 1 70 70 ARG H H 1 9.275 0.007 . 1 . . . . . 70 ARG H . 51937 1 733 . 1 . 1 70 70 ARG HA H 1 3.851 0.020 . 1 . . . . . 70 ARG HA . 51937 1 734 . 1 . 1 70 70 ARG HB2 H 1 1.913 0.000 . 2 . . . . . 70 ARG HB2 . 51937 1 735 . 1 . 1 70 70 ARG HB3 H 1 1.801 0.000 . 2 . . . . . 70 ARG HB3 . 51937 1 736 . 1 . 1 70 70 ARG HG2 H 1 1.537 0.000 . 2 . . . . . 70 ARG HG2 . 51937 1 737 . 1 . 1 70 70 ARG HG3 H 1 1.470 0.014 . 2 . . . . . 70 ARG HG3 . 51937 1 738 . 1 . 1 70 70 ARG C C 13 175.477 0.004 . 1 . . . . . 70 ARG C . 51937 1 739 . 1 . 1 70 70 ARG CA C 13 60.004 0.041 . 1 . . . . . 70 ARG CA . 51937 1 740 . 1 . 1 70 70 ARG CB C 13 29.684 0.040 . 1 . . . . . 70 ARG CB . 51937 1 741 . 1 . 1 70 70 ARG CG C 13 26.580 0.041 . 1 . . . . . 70 ARG CG . 51937 1 742 . 1 . 1 70 70 ARG CD C 13 42.322 0.000 . 1 . . . . . 70 ARG CD . 51937 1 743 . 1 . 1 70 70 ARG N N 15 131.800 0.038 . 1 . . . . . 70 ARG N . 51937 1 744 . 1 . 1 71 71 GLY H H 1 8.388 0.005 . 1 . . . . . 71 GLY H . 51937 1 745 . 1 . 1 71 71 GLY HA2 H 1 4.082 0.010 . 2 . . . . . 71 GLY HA2 . 51937 1 746 . 1 . 1 71 71 GLY HA3 H 1 3.744 0.012 . 2 . . . . . 71 GLY HA3 . 51937 1 747 . 1 . 1 71 71 GLY C C 13 176.153 0.006 . 1 . . . . . 71 GLY C . 51937 1 748 . 1 . 1 71 71 GLY CA C 13 47.341 0.041 . 1 . . . . . 71 GLY CA . 51937 1 749 . 1 . 1 71 71 GLY N N 15 106.827 0.042 . 1 . . . . . 71 GLY N . 51937 1 750 . 1 . 1 72 72 ASN H H 1 11.415 0.021 . 1 . . . . . 72 ASN H . 51937 1 751 . 1 . 1 72 72 ASN HA H 1 4.520 0.011 . 1 . . . . . 72 ASN HA . 51937 1 752 . 1 . 1 72 72 ASN HB2 H 1 2.887 0.016 . 2 . . . . . 72 ASN HB2 . 51937 1 753 . 1 . 1 72 72 ASN HB3 H 1 2.751 0.019 . 2 . . . . . 72 ASN HB3 . 51937 1 754 . 1 . 1 72 72 ASN C C 13 178.384 0.002 . 1 . . . . . 72 ASN C . 51937 1 755 . 1 . 1 72 72 ASN CA C 13 54.906 0.052 . 1 . . . . . 72 ASN CA . 51937 1 756 . 1 . 1 72 72 ASN CB C 13 36.633 0.048 . 1 . . . . . 72 ASN CB . 51937 1 757 . 1 . 1 72 72 ASN N N 15 124.079 0.033 . 1 . . . . . 72 ASN N . 51937 1 758 . 1 . 1 73 73 THR H H 1 8.497 0.008 . 1 . . . . . 73 THR H . 51937 1 759 . 1 . 1 73 73 THR HA H 1 4.096 0.022 . 1 . . . . . 73 THR HA . 51937 1 760 . 1 . 1 73 73 THR HB H 1 4.027 0.008 . 1 . . . . . 73 THR HB . 51937 1 761 . 1 . 1 73 73 THR HG21 H 1 1.026 0.013 . 1 . . . . . 73 THR QG2 . 51937 1 762 . 1 . 1 73 73 THR HG22 H 1 1.026 0.013 . 1 . . . . . 73 THR QG2 . 51937 1 763 . 1 . 1 73 73 THR HG23 H 1 1.026 0.013 . 1 . . . . . 73 THR QG2 . 51937 1 764 . 1 . 1 73 73 THR C C 13 175.167 0.012 . 1 . . . . . 73 THR C . 51937 1 765 . 1 . 1 73 73 THR CA C 13 67.588 0.076 . 1 . . . . . 73 THR CA . 51937 1 766 . 1 . 1 73 73 THR CB C 13 66.296 0.070 . 1 . . . . . 73 THR CB . 51937 1 767 . 1 . 1 73 73 THR CG2 C 13 20.796 0.000 . 1 . . . . . 73 THR CG2 . 51937 1 768 . 1 . 1 73 73 THR N N 15 121.424 0.045 . 1 . . . . . 73 THR N . 51937 1 769 . 1 . 1 74 74 VAL H H 1 8.884 0.009 . 1 . . . . . 74 VAL H . 51937 1 770 . 1 . 1 74 74 VAL HA H 1 3.551 0.011 . 1 . . . . . 74 VAL HA . 51937 1 771 . 1 . 1 74 74 VAL HB H 1 2.148 0.011 . 1 . . . . . 74 VAL HB . 51937 1 772 . 1 . 1 74 74 VAL HG11 H 1 0.710 0.011 . 2 . . . . . 74 VAL QG1 . 51937 1 773 . 1 . 1 74 74 VAL HG12 H 1 0.710 0.011 . 2 . . . . . 74 VAL QG1 . 51937 1 774 . 1 . 1 74 74 VAL HG13 H 1 0.710 0.011 . 2 . . . . . 74 VAL QG1 . 51937 1 775 . 1 . 1 74 74 VAL HG21 H 1 0.390 0.013 . 2 . . . . . 74 VAL QG2 . 51937 1 776 . 1 . 1 74 74 VAL HG22 H 1 0.390 0.013 . 2 . . . . . 74 VAL QG2 . 51937 1 777 . 1 . 1 74 74 VAL HG23 H 1 0.390 0.013 . 2 . . . . . 74 VAL QG2 . 51937 1 778 . 1 . 1 74 74 VAL C C 13 176.671 0.003 . 1 . . . . . 74 VAL C . 51937 1 779 . 1 . 1 74 74 VAL CA C 13 66.484 0.056 . 1 . . . . . 74 VAL CA . 51937 1 780 . 1 . 1 74 74 VAL CB C 13 30.306 0.052 . 1 . . . . . 74 VAL CB . 51937 1 781 . 1 . 1 74 74 VAL CG1 C 13 20.264 0.340 . 1 . . . . . 74 VAL CG1 . 51937 1 782 . 1 . 1 74 74 VAL CG2 C 13 20.056 0.079 . 1 . . . . . 74 VAL CG2 . 51937 1 783 . 1 . 1 74 74 VAL N N 15 123.799 0.073 . 1 . . . . . 74 VAL N . 51937 1 784 . 1 . 1 75 75 GLU H H 1 7.790 0.011 . 1 . . . . . 75 GLU H . 51937 1 785 . 1 . 1 75 75 GLU HA H 1 3.922 0.017 . 1 . . . . . 75 GLU HA . 51937 1 786 . 1 . 1 75 75 GLU HB2 H 1 2.110 0.013 . 2 . . . . . 75 GLU HB2 . 51937 1 787 . 1 . 1 75 75 GLU HB3 H 1 2.110 0.013 . 2 . . . . . 75 GLU HB3 . 51937 1 788 . 1 . 1 75 75 GLU HG2 H 1 2.315 0.015 . 2 . . . . . 75 GLU HG2 . 51937 1 789 . 1 . 1 75 75 GLU HG3 H 1 2.315 0.015 . 2 . . . . . 75 GLU HG3 . 51937 1 790 . 1 . 1 75 75 GLU C C 13 177.396 0.004 . 1 . . . . . 75 GLU C . 51937 1 791 . 1 . 1 75 75 GLU CA C 13 59.258 0.135 . 1 . . . . . 75 GLU CA . 51937 1 792 . 1 . 1 75 75 GLU CB C 13 28.896 0.090 . 1 . . . . . 75 GLU CB . 51937 1 793 . 1 . 1 75 75 GLU CG C 13 33.323 0.000 . 1 . . . . . 75 GLU CG . 51937 1 794 . 1 . 1 75 75 GLU N N 15 118.103 0.043 . 1 . . . . . 75 GLU N . 51937 1 795 . 1 . 1 76 76 PHE H H 1 7.868 0.009 . 1 . . . . . 76 PHE H . 51937 1 796 . 1 . 1 76 76 PHE HA H 1 4.388 0.012 . 1 . . . . . 76 PHE HA . 51937 1 797 . 1 . 1 76 76 PHE HB2 H 1 3.421 0.013 . 2 . . . . . 76 PHE HB2 . 51937 1 798 . 1 . 1 76 76 PHE HB3 H 1 3.421 0.013 . 2 . . . . . 76 PHE HB3 . 51937 1 799 . 1 . 1 76 76 PHE C C 13 175.662 0.014 . 1 . . . . . 76 PHE C . 51937 1 800 . 1 . 1 76 76 PHE CA C 13 60.714 0.039 . 1 . . . . . 76 PHE CA . 51937 1 801 . 1 . 1 76 76 PHE CB C 13 37.550 0.071 . 1 . . . . . 76 PHE CB . 51937 1 802 . 1 . 1 76 76 PHE N N 15 121.081 0.044 . 1 . . . . . 76 PHE N . 51937 1 803 . 1 . 1 77 77 ALA H H 1 8.614 0.008 . 1 . . . . . 77 ALA H . 51937 1 804 . 1 . 1 77 77 ALA HA H 1 4.019 0.000 . 1 . . . . . 77 ALA HA . 51937 1 805 . 1 . 1 77 77 ALA HB1 H 1 1.501 0.005 . 1 . . . . . 77 ALA HB# . 51937 1 806 . 1 . 1 77 77 ALA HB2 H 1 1.501 0.005 . 1 . . . . . 77 ALA HB# . 51937 1 807 . 1 . 1 77 77 ALA HB3 H 1 1.501 0.005 . 1 . . . . . 77 ALA HB# . 51937 1 808 . 1 . 1 77 77 ALA C C 13 180.094 0.005 . 1 . . . . . 77 ALA C . 51937 1 809 . 1 . 1 77 77 ALA CA C 13 55.229 0.289 . 1 . . . . . 77 ALA CA . 51937 1 810 . 1 . 1 77 77 ALA CB C 13 16.380 0.058 . 1 . . . . . 77 ALA CB . 51937 1 811 . 1 . 1 77 77 ALA N N 15 121.900 0.047 . 1 . . . . . 77 ALA N . 51937 1 812 . 1 . 1 78 78 LYS H H 1 8.781 0.010 . 1 . . . . . 78 LYS H . 51937 1 813 . 1 . 1 78 78 LYS HA H 1 4.199 0.014 . 1 . . . . . 78 LYS HA . 51937 1 814 . 1 . 1 78 78 LYS HB2 H 1 1.795 0.015 . 2 . . . . . 78 LYS HB2 . 51937 1 815 . 1 . 1 78 78 LYS HB3 H 1 1.635 0.005 . 2 . . . . . 78 LYS HB3 . 51937 1 816 . 1 . 1 78 78 LYS HG2 H 1 1.200 0.007 . 2 . . . . . 78 LYS HG2 . 51937 1 817 . 1 . 1 78 78 LYS HG3 H 1 1.044 0.000 . 2 . . . . . 78 LYS HG3 . 51937 1 818 . 1 . 1 78 78 LYS HD2 H 1 1.478 0.003 . 2 . . . . . 78 LYS HD2 . 51937 1 819 . 1 . 1 78 78 LYS HD3 H 1 1.478 0.003 . 2 . . . . . 78 LYS HD3 . 51937 1 820 . 1 . 1 78 78 LYS C C 13 179.733 0.010 . 1 . . . . . 78 LYS C . 51937 1 821 . 1 . 1 78 78 LYS CA C 13 58.973 0.052 . 1 . . . . . 78 LYS CA . 51937 1 822 . 1 . 1 78 78 LYS CB C 13 30.905 0.057 . 1 . . . . . 78 LYS CB . 51937 1 823 . 1 . 1 78 78 LYS CG C 13 24.754 0.027 . 1 . . . . . 78 LYS CG . 51937 1 824 . 1 . 1 78 78 LYS CD C 13 28.419 0.017 . 1 . . . . . 78 LYS CD . 51937 1 825 . 1 . 1 78 78 LYS CE C 13 41.166 0.000 . 1 . . . . . 78 LYS CE . 51937 1 826 . 1 . 1 78 78 LYS N N 15 118.757 0.078 . 1 . . . . . 78 LYS N . 51937 1 827 . 1 . 1 79 79 HIS H H 1 8.392 0.014 . 1 . . . . . 79 HIS H . 51937 1 828 . 1 . 1 79 79 HIS HA H 1 4.220 0.009 . 1 . . . . . 79 HIS HA . 51937 1 829 . 1 . 1 79 79 HIS HB2 H 1 3.111 0.007 . 2 . . . . . 79 HIS HB2 . 51937 1 830 . 1 . 1 79 79 HIS HB3 H 1 2.850 0.011 . 2 . . . . . 79 HIS HB3 . 51937 1 831 . 1 . 1 79 79 HIS C C 13 174.465 0.006 . 1 . . . . . 79 HIS C . 51937 1 832 . 1 . 1 79 79 HIS CA C 13 57.383 0.048 . 1 . . . . . 79 HIS CA . 51937 1 833 . 1 . 1 79 79 HIS CB C 13 27.791 0.046 . 1 . . . . . 79 HIS CB . 51937 1 834 . 1 . 1 79 79 HIS N N 15 120.617 0.040 . 1 . . . . . 79 HIS N . 51937 1 835 . 1 . 1 80 80 HIS H H 1 7.088 0.012 . 1 . . . . . 80 HIS H . 51937 1 836 . 1 . 1 80 80 HIS HA H 1 4.628 0.019 . 1 . . . . . 80 HIS HA . 51937 1 837 . 1 . 1 80 80 HIS HB2 H 1 3.346 0.011 . 2 . . . . . 80 HIS HB2 . 51937 1 838 . 1 . 1 80 80 HIS HB3 H 1 2.441 0.011 . 2 . . . . . 80 HIS HB3 . 51937 1 839 . 1 . 1 80 80 HIS C C 13 172.541 0.003 . 1 . . . . . 80 HIS C . 51937 1 840 . 1 . 1 80 80 HIS CA C 13 55.791 0.071 . 1 . . . . . 80 HIS CA . 51937 1 841 . 1 . 1 80 80 HIS CB C 13 29.354 0.043 . 1 . . . . . 80 HIS CB . 51937 1 842 . 1 . 1 80 80 HIS N N 15 114.978 0.031 . 1 . . . . . 80 HIS N . 51937 1 843 . 1 . 1 81 81 GLY H H 1 7.350 0.010 . 1 . . . . . 81 GLY H . 51937 1 844 . 1 . 1 81 81 GLY HA2 H 1 4.280 0.011 . 2 . . . . . 81 GLY HA2 . 51937 1 845 . 1 . 1 81 81 GLY HA3 H 1 3.642 0.010 . 2 . . . . . 81 GLY HA3 . 51937 1 846 . 1 . 1 81 81 GLY C C 13 173.876 0.002 . 1 . . . . . 81 GLY C . 51937 1 847 . 1 . 1 81 81 GLY CA C 13 44.674 0.056 . 1 . . . . . 81 GLY CA . 51937 1 848 . 1 . 1 81 81 GLY N N 15 103.744 0.040 . 1 . . . . . 81 GLY N . 51937 1 849 . 1 . 1 82 82 SER H H 1 8.033 0.011 . 1 . . . . . 82 SER H . 51937 1 850 . 1 . 1 82 82 SER HA H 1 4.185 0.011 . 1 . . . . . 82 SER HA . 51937 1 851 . 1 . 1 82 82 SER HB2 H 1 3.567 0.010 . 2 . . . . . 82 SER HB2 . 51937 1 852 . 1 . 1 82 82 SER HB3 H 1 3.279 0.013 . 2 . . . . . 82 SER HB3 . 51937 1 853 . 1 . 1 82 82 SER C C 13 173.487 0.006 . 1 . . . . . 82 SER C . 51937 1 854 . 1 . 1 82 82 SER CA C 13 59.079 0.073 . 1 . . . . . 82 SER CA . 51937 1 855 . 1 . 1 82 82 SER CB C 13 64.269 0.132 . 1 . . . . . 82 SER CB . 51937 1 856 . 1 . 1 82 82 SER N N 15 116.690 0.080 . 1 . . . . . 82 SER N . 51937 1 857 . 1 . 1 83 83 ASP H H 1 8.088 0.006 . 1 . . . . . 83 ASP H . 51937 1 858 . 1 . 1 83 83 ASP HA H 1 4.879 0.009 . 1 . . . . . 83 ASP HA . 51937 1 859 . 1 . 1 83 83 ASP HB2 H 1 3.186 0.014 . 2 . . . . . 83 ASP HB2 . 51937 1 860 . 1 . 1 83 83 ASP HB3 H 1 2.825 0.019 . 2 . . . . . 83 ASP HB3 . 51937 1 861 . 1 . 1 83 83 ASP C C 13 176.312 0.009 . 1 . . . . . 83 ASP C . 51937 1 862 . 1 . 1 83 83 ASP CA C 13 52.063 0.091 . 1 . . . . . 83 ASP CA . 51937 1 863 . 1 . 1 83 83 ASP CB C 13 40.673 0.047 . 1 . . . . . 83 ASP CB . 51937 1 864 . 1 . 1 83 83 ASP N N 15 122.460 0.046 . 1 . . . . . 83 ASP N . 51937 1 865 . 1 . 1 84 84 ASP H H 1 8.597 0.013 . 1 . . . . . 84 ASP H . 51937 1 866 . 1 . 1 84 84 ASP HA H 1 4.251 0.012 . 1 . . . . . 84 ASP HA . 51937 1 867 . 1 . 1 84 84 ASP HB2 H 1 2.666 0.008 . 2 . . . . . 84 ASP HB2 . 51937 1 868 . 1 . 1 84 84 ASP HB3 H 1 2.666 0.008 . 2 . . . . . 84 ASP HB3 . 51937 1 869 . 1 . 1 84 84 ASP C C 13 176.127 0.003 . 1 . . . . . 84 ASP C . 51937 1 870 . 1 . 1 84 84 ASP CA C 13 58.403 0.062 . 1 . . . . . 84 ASP CA . 51937 1 871 . 1 . 1 84 84 ASP CB C 13 41.088 0.149 . 1 . . . . . 84 ASP CB . 51937 1 872 . 1 . 1 84 84 ASP N N 15 120.556 0.068 . 1 . . . . . 84 ASP N . 51937 1 873 . 1 . 1 85 85 ALA H H 1 8.118 0.005 . 1 . . . . . 85 ALA H . 51937 1 874 . 1 . 1 85 85 ALA HA H 1 4.200 0.009 . 1 . . . . . 85 ALA HA . 51937 1 875 . 1 . 1 85 85 ALA HB1 H 1 1.523 0.011 . 1 . . . . . 85 ALA HB# . 51937 1 876 . 1 . 1 85 85 ALA HB2 H 1 1.523 0.011 . 1 . . . . . 85 ALA HB# . 51937 1 877 . 1 . 1 85 85 ALA HB3 H 1 1.523 0.011 . 1 . . . . . 85 ALA HB# . 51937 1 878 . 1 . 1 85 85 ALA C C 13 180.081 0.001 . 1 . . . . . 85 ALA C . 51937 1 879 . 1 . 1 85 85 ALA CA C 13 54.899 0.053 . 1 . . . . . 85 ALA CA . 51937 1 880 . 1 . 1 85 85 ALA CB C 13 17.427 0.042 . 1 . . . . . 85 ALA CB . 51937 1 881 . 1 . 1 85 85 ALA N N 15 120.890 0.049 . 1 . . . . . 85 ALA N . 51937 1 882 . 1 . 1 86 86 MET H H 1 8.734 0.007 . 1 . . . . . 86 MET H . 51937 1 883 . 1 . 1 86 86 MET HA H 1 4.168 0.015 . 1 . . . . . 86 MET HA . 51937 1 884 . 1 . 1 86 86 MET HB2 H 1 1.985 0.018 . 2 . . . . . 86 MET HB2 . 51937 1 885 . 1 . 1 86 86 MET HB3 H 1 1.898 0.010 . 2 . . . . . 86 MET HB3 . 51937 1 886 . 1 . 1 86 86 MET HG2 H 1 2.084 0.013 . 2 . . . . . 86 MET HG2 . 51937 1 887 . 1 . 1 86 86 MET HG3 H 1 2.351 0.000 . 2 . . . . . 86 MET HG3 . 51937 1 888 . 1 . 1 86 86 MET HE1 H 1 1.611 0.000 . 1 . . . . . 86 MET HE# . 51937 1 889 . 1 . 1 86 86 MET HE2 H 1 1.611 0.000 . 1 . . . . . 86 MET HE# . 51937 1 890 . 1 . 1 86 86 MET HE3 H 1 1.611 0.000 . 1 . . . . . 86 MET HE# . 51937 1 891 . 1 . 1 86 86 MET C C 13 176.306 0.007 . 1 . . . . . 86 MET C . 51937 1 892 . 1 . 1 86 86 MET CA C 13 58.858 0.065 . 1 . . . . . 86 MET CA . 51937 1 893 . 1 . 1 86 86 MET CB C 13 30.640 0.111 . 1 . . . . . 86 MET CB . 51937 1 894 . 1 . 1 86 86 MET CG C 13 32.776 0.062 . 1 . . . . . 86 MET CG . 51937 1 895 . 1 . 1 86 86 MET N N 15 119.871 0.044 . 1 . . . . . 86 MET N . 51937 1 896 . 1 . 1 87 87 ALA H H 1 7.618 0.013 . 1 . . . . . 87 ALA H . 51937 1 897 . 1 . 1 87 87 ALA HA H 1 3.712 0.011 . 1 . . . . . 87 ALA HA . 51937 1 898 . 1 . 1 87 87 ALA HB1 H 1 1.525 0.008 . 1 . . . . . 87 ALA HB# . 51937 1 899 . 1 . 1 87 87 ALA HB2 H 1 1.525 0.008 . 1 . . . . . 87 ALA HB# . 51937 1 900 . 1 . 1 87 87 ALA HB3 H 1 1.525 0.008 . 1 . . . . . 87 ALA HB# . 51937 1 901 . 1 . 1 87 87 ALA C C 13 177.848 0.009 . 1 . . . . . 87 ALA C . 51937 1 902 . 1 . 1 87 87 ALA CA C 13 55.164 0.045 . 1 . . . . . 87 ALA CA . 51937 1 903 . 1 . 1 87 87 ALA CB C 13 19.566 0.045 . 1 . . . . . 87 ALA CB . 51937 1 904 . 1 . 1 87 87 ALA N N 15 120.409 0.047 . 1 . . . . . 87 ALA N . 51937 1 905 . 1 . 1 88 88 HIS H H 1 8.189 0.011 . 1 . . . . . 88 HIS H . 51937 1 906 . 1 . 1 88 88 HIS HA H 1 3.970 0.012 . 1 . . . . . 88 HIS HA . 51937 1 907 . 1 . 1 88 88 HIS HB2 H 1 3.073 0.011 . 2 . . . . . 88 HIS HB2 . 51937 1 908 . 1 . 1 88 88 HIS HB3 H 1 3.073 0.011 . 2 . . . . . 88 HIS HB3 . 51937 1 909 . 1 . 1 88 88 HIS C C 13 176.908 0.002 . 1 . . . . . 88 HIS C . 51937 1 910 . 1 . 1 88 88 HIS CA C 13 60.154 0.051 . 1 . . . . . 88 HIS CA . 51937 1 911 . 1 . 1 88 88 HIS CB C 13 30.308 0.039 . 1 . . . . . 88 HIS CB . 51937 1 912 . 1 . 1 88 88 HIS N N 15 113.860 0.038 . 1 . . . . . 88 HIS N . 51937 1 913 . 1 . 1 89 89 GLN H H 1 8.132 0.008 . 1 . . . . . 89 GLN H . 51937 1 914 . 1 . 1 89 89 GLN HA H 1 4.326 0.010 . 1 . . . . . 89 GLN HA . 51937 1 915 . 1 . 1 89 89 GLN HB2 H 1 2.485 0.016 . 2 . . . . . 89 GLN HB2 . 51937 1 916 . 1 . 1 89 89 GLN HB3 H 1 2.453 0.002 . 2 . . . . . 89 GLN HB3 . 51937 1 917 . 1 . 1 89 89 GLN HG2 H 1 2.608 0.005 . 2 . . . . . 89 GLN HG2 . 51937 1 918 . 1 . 1 89 89 GLN HG3 H 1 2.427 0.011 . 2 . . . . . 89 GLN HG3 . 51937 1 919 . 1 . 1 89 89 GLN C C 13 177.503 0.003 . 1 . . . . . 89 GLN C . 51937 1 920 . 1 . 1 89 89 GLN CA C 13 59.022 0.075 . 1 . . . . . 89 GLN CA . 51937 1 921 . 1 . 1 89 89 GLN CB C 13 27.944 0.043 . 1 . . . . . 89 GLN CB . 51937 1 922 . 1 . 1 89 89 GLN CG C 13 33.340 0.038 . 1 . . . . . 89 GLN CG . 51937 1 923 . 1 . 1 89 89 GLN N N 15 121.299 0.044 . 1 . . . . . 89 GLN N . 51937 1 924 . 1 . 1 90 90 VAL H H 1 8.600 0.011 . 1 . . . . . 90 VAL H . 51937 1 925 . 1 . 1 90 90 VAL HA H 1 3.803 0.013 . 1 . . . . . 90 VAL HA . 51937 1 926 . 1 . 1 90 90 VAL HB H 1 2.636 0.011 . 1 . . . . . 90 VAL HB . 51937 1 927 . 1 . 1 90 90 VAL HG11 H 1 1.066 0.019 . 2 . . . . . 90 VAL QG1 . 51937 1 928 . 1 . 1 90 90 VAL HG12 H 1 1.066 0.019 . 2 . . . . . 90 VAL QG1 . 51937 1 929 . 1 . 1 90 90 VAL HG13 H 1 1.066 0.019 . 2 . . . . . 90 VAL QG1 . 51937 1 930 . 1 . 1 90 90 VAL HG21 H 1 1.047 0.002 . 2 . . . . . 90 VAL QG2 . 51937 1 931 . 1 . 1 90 90 VAL HG22 H 1 1.047 0.002 . 2 . . . . . 90 VAL QG2 . 51937 1 932 . 1 . 1 90 90 VAL HG23 H 1 1.047 0.002 . 2 . . . . . 90 VAL QG2 . 51937 1 933 . 1 . 1 90 90 VAL C C 13 176.268 0.006 . 1 . . . . . 90 VAL C . 51937 1 934 . 1 . 1 90 90 VAL CA C 13 67.364 0.033 . 1 . . . . . 90 VAL CA . 51937 1 935 . 1 . 1 90 90 VAL CB C 13 30.885 0.052 . 1 . . . . . 90 VAL CB . 51937 1 936 . 1 . 1 90 90 VAL CG1 C 13 23.761 0.000 . 1 . . . . . 90 VAL CG1 . 51937 1 937 . 1 . 1 90 90 VAL CG2 C 13 20.424 0.051 . 1 . . . . . 90 VAL CG2 . 51937 1 938 . 1 . 1 90 90 VAL N N 15 118.934 0.071 . 1 . . . . . 90 VAL N . 51937 1 939 . 1 . 1 91 91 VAL H H 1 7.402 0.010 . 1 . . . . . 91 VAL H . 51937 1 940 . 1 . 1 91 91 VAL HA H 1 3.444 0.010 . 1 . . . . . 91 VAL HA . 51937 1 941 . 1 . 1 91 91 VAL HB H 1 2.080 0.013 . 1 . . . . . 91 VAL HB . 51937 1 942 . 1 . 1 91 91 VAL HG11 H 1 1.033 0.013 . 2 . . . . . 91 VAL QG1 . 51937 1 943 . 1 . 1 91 91 VAL HG12 H 1 1.033 0.013 . 2 . . . . . 91 VAL QG1 . 51937 1 944 . 1 . 1 91 91 VAL HG13 H 1 1.033 0.013 . 2 . . . . . 91 VAL QG1 . 51937 1 945 . 1 . 1 91 91 VAL HG21 H 1 0.465 0.012 . 2 . . . . . 91 VAL QG2 . 51937 1 946 . 1 . 1 91 91 VAL HG22 H 1 0.465 0.012 . 2 . . . . . 91 VAL QG2 . 51937 1 947 . 1 . 1 91 91 VAL HG23 H 1 0.465 0.012 . 2 . . . . . 91 VAL QG2 . 51937 1 948 . 1 . 1 91 91 VAL C C 13 175.562 0.015 . 1 . . . . . 91 VAL C . 51937 1 949 . 1 . 1 91 91 VAL CA C 13 66.801 0.062 . 1 . . . . . 91 VAL CA . 51937 1 950 . 1 . 1 91 91 VAL CB C 13 30.426 0.165 . 1 . . . . . 91 VAL CB . 51937 1 951 . 1 . 1 91 91 VAL CG1 C 13 23.073 0.074 . 1 . . . . . 91 VAL CG1 . 51937 1 952 . 1 . 1 91 91 VAL CG2 C 13 20.710 0.028 . 1 . . . . . 91 VAL CG2 . 51937 1 953 . 1 . 1 91 91 VAL N N 15 117.430 0.051 . 1 . . . . . 91 VAL N . 51937 1 954 . 1 . 1 92 92 ASP H H 1 8.821 0.008 . 1 . . . . . 92 ASP H . 51937 1 955 . 1 . 1 92 92 ASP HA H 1 4.293 0.016 . 1 . . . . . 92 ASP HA . 51937 1 956 . 1 . 1 92 92 ASP HB2 H 1 3.165 0.010 . 2 . . . . . 92 ASP HB2 . 51937 1 957 . 1 . 1 92 92 ASP HB3 H 1 2.742 0.006 . 2 . . . . . 92 ASP HB3 . 51937 1 958 . 1 . 1 92 92 ASP C C 13 179.156 0.006 . 1 . . . . . 92 ASP C . 51937 1 959 . 1 . 1 92 92 ASP CA C 13 57.578 0.043 . 1 . . . . . 92 ASP CA . 51937 1 960 . 1 . 1 92 92 ASP CB C 13 39.268 0.068 . 1 . . . . . 92 ASP CB . 51937 1 961 . 1 . 1 92 92 ASP N N 15 121.702 0.045 . 1 . . . . . 92 ASP N . 51937 1 962 . 1 . 1 93 93 ILE H H 1 8.441 0.010 . 1 . . . . . 93 ILE H . 51937 1 963 . 1 . 1 93 93 ILE HA H 1 3.851 0.018 . 1 . . . . . 93 ILE HA . 51937 1 964 . 1 . 1 93 93 ILE HB H 1 2.218 0.013 . 1 . . . . . 93 ILE HB . 51937 1 965 . 1 . 1 93 93 ILE HG12 H 1 1.056 0.012 . 2 . . . . . 93 ILE HG12 . 51937 1 966 . 1 . 1 93 93 ILE HG13 H 1 1.056 0.012 . 2 . . . . . 93 ILE HG13 . 51937 1 967 . 1 . 1 93 93 ILE HG21 H 1 1.156 0.018 . 1 . . . . . 93 ILE QG2 . 51937 1 968 . 1 . 1 93 93 ILE HG22 H 1 1.156 0.018 . 1 . . . . . 93 ILE QG2 . 51937 1 969 . 1 . 1 93 93 ILE HG23 H 1 1.156 0.018 . 1 . . . . . 93 ILE QG2 . 51937 1 970 . 1 . 1 93 93 ILE HD11 H 1 0.779 0.005 . 1 . . . . . 93 ILE QD1 . 51937 1 971 . 1 . 1 93 93 ILE HD12 H 1 0.779 0.005 . 1 . . . . . 93 ILE QD1 . 51937 1 972 . 1 . 1 93 93 ILE HD13 H 1 0.779 0.005 . 1 . . . . . 93 ILE QD1 . 51937 1 973 . 1 . 1 93 93 ILE C C 13 177.269 0.004 . 1 . . . . . 93 ILE C . 51937 1 974 . 1 . 1 93 93 ILE CA C 13 64.785 0.106 . 1 . . . . . 93 ILE CA . 51937 1 975 . 1 . 1 93 93 ILE CB C 13 38.569 0.028 . 1 . . . . . 93 ILE CB . 51937 1 976 . 1 . 1 93 93 ILE CG1 C 13 28.672 0.167 . 1 . . . . . 93 ILE CG1 . 51937 1 977 . 1 . 1 93 93 ILE CG2 C 13 18.903 0.070 . 1 . . . . . 93 ILE CG2 . 51937 1 978 . 1 . 1 93 93 ILE CD1 C 13 14.148 0.017 . 1 . . . . . 93 ILE CD1 . 51937 1 979 . 1 . 1 93 93 ILE N N 15 121.218 0.029 . 1 . . . . . 93 ILE N . 51937 1 980 . 1 . 1 94 94 LEU H H 1 8.103 0.020 . 1 . . . . . 94 LEU H . 51937 1 981 . 1 . 1 94 94 LEU HA H 1 3.849 0.013 . 1 . . . . . 94 LEU HA . 51937 1 982 . 1 . 1 94 94 LEU HB2 H 1 2.062 0.012 . 2 . . . . . 94 LEU HB2 . 51937 1 983 . 1 . 1 94 94 LEU HB3 H 1 1.335 0.016 . 2 . . . . . 94 LEU HB3 . 51937 1 984 . 1 . 1 94 94 LEU HG H 1 1.864 0.007 . 1 . . . . . 94 LEU HG . 51937 1 985 . 1 . 1 94 94 LEU HD11 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD1 . 51937 1 986 . 1 . 1 94 94 LEU HD12 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD1 . 51937 1 987 . 1 . 1 94 94 LEU HD13 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD1 . 51937 1 988 . 1 . 1 94 94 LEU HD21 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD2 . 51937 1 989 . 1 . 1 94 94 LEU HD22 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD2 . 51937 1 990 . 1 . 1 94 94 LEU HD23 H 1 1.058 0.000 . 2 . . . . . 94 LEU QD2 . 51937 1 991 . 1 . 1 94 94 LEU C C 13 177.854 0.015 . 1 . . . . . 94 LEU C . 51937 1 992 . 1 . 1 94 94 LEU CA C 13 58.734 0.189 . 1 . . . . . 94 LEU CA . 51937 1 993 . 1 . 1 94 94 LEU CB C 13 41.206 0.053 . 1 . . . . . 94 LEU CB . 51937 1 994 . 1 . 1 94 94 LEU CG C 13 26.507 0.236 . 1 . . . . . 94 LEU CG . 51937 1 995 . 1 . 1 94 94 LEU CD1 C 13 22.940 0.000 . 1 . . . . . 94 LEU CD1 . 51937 1 996 . 1 . 1 94 94 LEU N N 15 120.826 0.134 . 1 . . . . . 94 LEU N . 51937 1 997 . 1 . 1 95 95 HIS H H 1 9.264 0.013 . 1 . . . . . 95 HIS H . 51937 1 998 . 1 . 1 95 95 HIS HA H 1 4.604 0.013 . 1 . . . . . 95 HIS HA . 51937 1 999 . 1 . 1 95 95 HIS HB2 H 1 3.236 0.016 . 2 . . . . . 95 HIS HB2 . 51937 1 1000 . 1 . 1 95 95 HIS HB3 H 1 3.185 0.004 . 2 . . . . . 95 HIS HB3 . 51937 1 1001 . 1 . 1 95 95 HIS C C 13 177.031 0.009 . 1 . . . . . 95 HIS C . 51937 1 1002 . 1 . 1 95 95 HIS CA C 13 57.438 0.081 . 1 . . . . . 95 HIS CA . 51937 1 1003 . 1 . 1 95 95 HIS CB C 13 29.827 0.043 . 1 . . . . . 95 HIS CB . 51937 1 1004 . 1 . 1 95 95 HIS N N 15 117.667 0.046 . 1 . . . . . 95 HIS N . 51937 1 1005 . 1 . 1 96 96 ALA H H 1 8.260 0.012 . 1 . . . . . 96 ALA H . 51937 1 1006 . 1 . 1 96 96 ALA HA H 1 4.191 0.010 . 1 . . . . . 96 ALA HA . 51937 1 1007 . 1 . 1 96 96 ALA HB1 H 1 1.603 0.012 . 1 . . . . . 96 ALA HB# . 51937 1 1008 . 1 . 1 96 96 ALA HB2 H 1 1.603 0.012 . 1 . . . . . 96 ALA HB# . 51937 1 1009 . 1 . 1 96 96 ALA HB3 H 1 1.603 0.012 . 1 . . . . . 96 ALA HB# . 51937 1 1010 . 1 . 1 96 96 ALA C C 13 180.539 0.000 . 1 . . . . . 96 ALA C . 51937 1 1011 . 1 . 1 96 96 ALA CA C 13 54.897 0.067 . 1 . . . . . 96 ALA CA . 51937 1 1012 . 1 . 1 96 96 ALA CB C 13 17.262 0.064 . 1 . . . . . 96 ALA CB . 51937 1 1013 . 1 . 1 96 96 ALA N N 15 123.102 0.055 . 1 . . . . . 96 ALA N . 51937 1 1014 . 1 . 1 97 97 CYS H H 1 8.787 0.009 . 1 . . . . . 97 CYS H . 51937 1 1015 . 1 . 1 97 97 CYS HA H 1 4.481 0.014 . 1 . . . . . 97 CYS HA . 51937 1 1016 . 1 . 1 97 97 CYS HB2 H 1 3.468 0.012 . 2 . . . . . 97 CYS HB2 . 51937 1 1017 . 1 . 1 97 97 CYS HB3 H 1 3.078 0.009 . 2 . . . . . 97 CYS HB3 . 51937 1 1018 . 1 . 1 97 97 CYS HG H 1 1.648 0.129 . 1 . . . . . 97 CYS HG . 51937 1 1019 . 1 . 1 97 97 CYS C C 13 175.731 0.005 . 1 . . . . . 97 CYS C . 51937 1 1020 . 1 . 1 97 97 CYS CA C 13 56.976 0.050 . 1 . . . . . 97 CYS CA . 51937 1 1021 . 1 . 1 97 97 CYS CB C 13 39.149 0.041 . 1 . . . . . 97 CYS CB . 51937 1 1022 . 1 . 1 97 97 CYS N N 15 117.963 0.063 . 1 . . . . . 97 CYS N . 51937 1 1023 . 1 . 1 98 98 GLU H H 1 8.542 0.009 . 1 . . . . . 98 GLU H . 51937 1 1024 . 1 . 1 98 98 GLU HA H 1 3.789 0.014 . 1 . . . . . 98 GLU HA . 51937 1 1025 . 1 . 1 98 98 GLU HB2 H 1 2.267 0.008 . 2 . . . . . 98 GLU HB2 . 51937 1 1026 . 1 . 1 98 98 GLU HB3 H 1 2.233 0.008 . 2 . . . . . 98 GLU HB3 . 51937 1 1027 . 1 . 1 98 98 GLU HG2 H 1 2.447 0.012 . 2 . . . . . 98 GLU HG2 . 51937 1 1028 . 1 . 1 98 98 GLU HG3 H 1 2.447 0.012 . 2 . . . . . 98 GLU HG3 . 51937 1 1029 . 1 . 1 98 98 GLU C C 13 176.466 0.002 . 1 . . . . . 98 GLU C . 51937 1 1030 . 1 . 1 98 98 GLU CA C 13 59.021 0.060 . 1 . . . . . 98 GLU CA . 51937 1 1031 . 1 . 1 98 98 GLU CB C 13 29.581 0.095 . 1 . . . . . 98 GLU CB . 51937 1 1032 . 1 . 1 98 98 GLU CG C 13 35.888 0.033 . 1 . . . . . 98 GLU CG . 51937 1 1033 . 1 . 1 98 98 GLU N N 15 121.871 0.036 . 1 . . . . . 98 GLU N . 51937 1 1034 . 1 . 1 99 99 LYS H H 1 7.472 0.010 . 1 . . . . . 99 LYS H . 51937 1 1035 . 1 . 1 99 99 LYS HA H 1 4.064 0.019 . 1 . . . . . 99 LYS HA . 51937 1 1036 . 1 . 1 99 99 LYS HB2 H 1 1.909 0.011 . 2 . . . . . 99 LYS HB2 . 51937 1 1037 . 1 . 1 99 99 LYS HB3 H 1 1.877 0.031 . 2 . . . . . 99 LYS HB3 . 51937 1 1038 . 1 . 1 99 99 LYS HG2 H 1 1.537 0.015 . 2 . . . . . 99 LYS HG2 . 51937 1 1039 . 1 . 1 99 99 LYS HG3 H 1 1.463 0.016 . 2 . . . . . 99 LYS HG3 . 51937 1 1040 . 1 . 1 99 99 LYS HD2 H 1 1.660 0.042 . 2 . . . . . 99 LYS HD2 . 51937 1 1041 . 1 . 1 99 99 LYS HD3 H 1 1.629 0.002 . 2 . . . . . 99 LYS HD3 . 51937 1 1042 . 1 . 1 99 99 LYS C C 13 176.360 0.007 . 1 . . . . . 99 LYS C . 51937 1 1043 . 1 . 1 99 99 LYS CA C 13 56.679 0.071 . 1 . . . . . 99 LYS CA . 51937 1 1044 . 1 . 1 99 99 LYS CB C 13 32.011 0.078 . 1 . . . . . 99 LYS CB . 51937 1 1045 . 1 . 1 99 99 LYS CG C 13 24.429 0.035 . 1 . . . . . 99 LYS CG . 51937 1 1046 . 1 . 1 99 99 LYS CD C 13 28.275 0.000 . 1 . . . . . 99 LYS CD . 51937 1 1047 . 1 . 1 99 99 LYS CE C 13 41.609 0.000 . 1 . . . . . 99 LYS CE . 51937 1 1048 . 1 . 1 99 99 LYS N N 15 115.641 0.106 . 1 . . . . . 99 LYS N . 51937 1 1049 . 1 . 1 100 100 ALA H H 1 7.430 0.011 . 1 . . . . . 100 ALA H . 51937 1 1050 . 1 . 1 100 100 ALA HA H 1 4.243 0.008 . 1 . . . . . 100 ALA HA . 51937 1 1051 . 1 . 1 100 100 ALA HB1 H 1 1.579 0.009 . 1 . . . . . 100 ALA HB# . 51937 1 1052 . 1 . 1 100 100 ALA HB2 H 1 1.579 0.009 . 1 . . . . . 100 ALA HB# . 51937 1 1053 . 1 . 1 100 100 ALA HB3 H 1 1.579 0.009 . 1 . . . . . 100 ALA HB# . 51937 1 1054 . 1 . 1 100 100 ALA C C 13 177.295 0.010 . 1 . . . . . 100 ALA C . 51937 1 1055 . 1 . 1 100 100 ALA CA C 13 53.661 0.066 . 1 . . . . . 100 ALA CA . 51937 1 1056 . 1 . 1 100 100 ALA CB C 13 19.144 0.051 . 1 . . . . . 100 ALA CB . 51937 1 1057 . 1 . 1 100 100 ALA N N 15 119.809 0.042 . 1 . . . . . 100 ALA N . 51937 1 1058 . 1 . 1 101 101 THR H H 1 7.224 0.012 . 1 . . . . . 101 THR H . 51937 1 1059 . 1 . 1 101 101 THR HA H 1 4.725 0.014 . 1 . . . . . 101 THR HA . 51937 1 1060 . 1 . 1 101 101 THR HB H 1 4.186 0.014 . 1 . . . . . 101 THR HB . 51937 1 1061 . 1 . 1 101 101 THR HG21 H 1 1.180 0.010 . 1 . . . . . 101 THR QG2 . 51937 1 1062 . 1 . 1 101 101 THR HG22 H 1 1.180 0.010 . 1 . . . . . 101 THR QG2 . 51937 1 1063 . 1 . 1 101 101 THR HG23 H 1 1.180 0.010 . 1 . . . . . 101 THR QG2 . 51937 1 1064 . 1 . 1 101 101 THR C C 13 170.745 0.000 . 1 . . . . . 101 THR C . 51937 1 1065 . 1 . 1 101 101 THR CA C 13 57.370 0.018 . 1 . . . . . 101 THR CA . 51937 1 1066 . 1 . 1 101 101 THR CB C 13 69.820 0.025 . 1 . . . . . 101 THR CB . 51937 1 1067 . 1 . 1 101 101 THR CG2 C 13 20.859 0.044 . 1 . . . . . 101 THR CG2 . 51937 1 1068 . 1 . 1 101 101 THR N N 15 108.520 0.061 . 1 . . . . . 101 THR N . 51937 1 1069 . 1 . 1 102 102 PRO HA H 1 4.406 0.007 . 1 . . . . . 102 PRO HA . 51937 1 1070 . 1 . 1 102 102 PRO HB2 H 1 2.249 0.000 . 2 . . . . . 102 PRO HB2 . 51937 1 1071 . 1 . 1 102 102 PRO HB3 H 1 1.976 0.001 . 2 . . . . . 102 PRO HB3 . 51937 1 1072 . 1 . 1 102 102 PRO HG2 H 1 1.888 0.000 . 2 . . . . . 102 PRO HG2 . 51937 1 1073 . 1 . 1 102 102 PRO HG3 H 1 1.280 0.000 . 2 . . . . . 102 PRO HG3 . 51937 1 1074 . 1 . 1 102 102 PRO HD2 H 1 3.531 0.007 . 2 . . . . . 102 PRO HD2 . 51937 1 1075 . 1 . 1 102 102 PRO HD3 H 1 3.515 0.000 . 2 . . . . . 102 PRO HD3 . 51937 1 1076 . 1 . 1 102 102 PRO C C 13 175.378 0.000 . 1 . . . . . 102 PRO C . 51937 1 1077 . 1 . 1 102 102 PRO CA C 13 62.575 0.041 . 1 . . . . . 102 PRO CA . 51937 1 1078 . 1 . 1 102 102 PRO CB C 13 31.496 0.037 . 1 . . . . . 102 PRO CB . 51937 1 1079 . 1 . 1 102 102 PRO CG C 13 26.750 0.000 . 1 . . . . . 102 PRO CG . 51937 1 1080 . 1 . 1 102 102 PRO CD C 13 49.867 0.000 . 1 . . . . . 102 PRO CD . 51937 1 1081 . 1 . 1 103 103 ASN H H 1 8.190 0.009 . 1 . . . . . 103 ASN H . 51937 1 1082 . 1 . 1 103 103 ASN HA H 1 4.541 0.011 . 1 . . . . . 103 ASN HA . 51937 1 1083 . 1 . 1 103 103 ASN HB2 H 1 2.856 0.023 . 2 . . . . . 103 ASN HB2 . 51937 1 1084 . 1 . 1 103 103 ASN HB3 H 1 2.668 0.016 . 2 . . . . . 103 ASN HB3 . 51937 1 1085 . 1 . 1 103 103 ASN C C 13 173.565 0.002 . 1 . . . . . 103 ASN C . 51937 1 1086 . 1 . 1 103 103 ASN CA C 13 53.249 0.058 . 1 . . . . . 103 ASN CA . 51937 1 1087 . 1 . 1 103 103 ASN CB C 13 41.301 0.051 . 1 . . . . . 103 ASN CB . 51937 1 1088 . 1 . 1 103 103 ASN N N 15 119.981 0.041 . 1 . . . . . 103 ASN N . 51937 1 1089 . 1 . 1 104 104 GLU H H 1 8.709 0.007 . 1 . . . . . 104 GLU H . 51937 1 1090 . 1 . 1 104 104 GLU HA H 1 4.132 0.029 . 1 . . . . . 104 GLU HA . 51937 1 1091 . 1 . 1 104 104 GLU HB2 H 1 2.114 0.008 . 2 . . . . . 104 GLU HB2 . 51937 1 1092 . 1 . 1 104 104 GLU HB3 H 1 1.961 0.016 . 2 . . . . . 104 GLU HB3 . 51937 1 1093 . 1 . 1 104 104 GLU HG2 H 1 2.485 0.002 . 2 . . . . . 104 GLU HG2 . 51937 1 1094 . 1 . 1 104 104 GLU HG3 H 1 2.318 0.019 . 2 . . . . . 104 GLU HG3 . 51937 1 1095 . 1 . 1 104 104 GLU C C 13 175.286 0.001 . 1 . . . . . 104 GLU C . 51937 1 1096 . 1 . 1 104 104 GLU CA C 13 57.340 0.057 . 1 . . . . . 104 GLU CA . 51937 1 1097 . 1 . 1 104 104 GLU CB C 13 29.617 0.070 . 1 . . . . . 104 GLU CB . 51937 1 1098 . 1 . 1 104 104 GLU CG C 13 35.901 0.039 . 1 . . . . . 104 GLU CG . 51937 1 1099 . 1 . 1 104 104 GLU N N 15 124.505 0.050 . 1 . . . . . 104 GLU N . 51937 1 1100 . 1 . 1 105 105 ASP H H 1 8.619 0.008 . 1 . . . . . 105 ASP H . 51937 1 1101 . 1 . 1 105 105 ASP HA H 1 4.702 0.012 . 1 . . . . . 105 ASP HA . 51937 1 1102 . 1 . 1 105 105 ASP HB2 H 1 2.876 0.007 . 2 . . . . . 105 ASP HB2 . 51937 1 1103 . 1 . 1 105 105 ASP HB3 H 1 2.558 0.011 . 2 . . . . . 105 ASP HB3 . 51937 1 1104 . 1 . 1 105 105 ASP C C 13 175.857 0.007 . 1 . . . . . 105 ASP C . 51937 1 1105 . 1 . 1 105 105 ASP CA C 13 52.157 0.077 . 1 . . . . . 105 ASP CA . 51937 1 1106 . 1 . 1 105 105 ASP CB C 13 40.687 0.024 . 1 . . . . . 105 ASP CB . 51937 1 1107 . 1 . 1 105 105 ASP N N 15 119.569 0.040 . 1 . . . . . 105 ASP N . 51937 1 1108 . 1 . 1 106 106 LYS H H 1 8.800 0.008 . 1 . . . . . 106 LYS H . 51937 1 1109 . 1 . 1 106 106 LYS HA H 1 4.063 0.008 . 1 . . . . . 106 LYS HA . 51937 1 1110 . 1 . 1 106 106 LYS HB2 H 1 1.922 0.014 . 2 . . . . . 106 LYS HB2 . 51937 1 1111 . 1 . 1 106 106 LYS HB3 H 1 1.830 0.016 . 2 . . . . . 106 LYS HB3 . 51937 1 1112 . 1 . 1 106 106 LYS HG2 H 1 1.642 0.005 . 2 . . . . . 106 LYS HG2 . 51937 1 1113 . 1 . 1 106 106 LYS HG3 H 1 1.642 0.005 . 2 . . . . . 106 LYS HG3 . 51937 1 1114 . 1 . 1 106 106 LYS HD2 H 1 2.140 0.007 . 2 . . . . . 106 LYS HD2 . 51937 1 1115 . 1 . 1 106 106 LYS HD3 H 1 2.140 0.007 . 2 . . . . . 106 LYS HD3 . 51937 1 1116 . 1 . 1 106 106 LYS HE2 H 1 2.342 0.000 . 2 . . . . . 106 LYS HE2 . 51937 1 1117 . 1 . 1 106 106 LYS HE3 H 1 2.342 0.000 . 2 . . . . . 106 LYS HE3 . 51937 1 1118 . 1 . 1 106 106 LYS C C 13 178.672 0.013 . 1 . . . . . 106 LYS C . 51937 1 1119 . 1 . 1 106 106 LYS CA C 13 57.639 0.067 . 1 . . . . . 106 LYS CA . 51937 1 1120 . 1 . 1 106 106 LYS CB C 13 31.116 0.062 . 1 . . . . . 106 LYS CB . 51937 1 1121 . 1 . 1 106 106 LYS CG C 13 24.507 0.077 . 1 . . . . . 106 LYS CG . 51937 1 1122 . 1 . 1 106 106 LYS CD C 13 27.684 0.000 . 1 . . . . . 106 LYS CD . 51937 1 1123 . 1 . 1 106 106 LYS CE C 13 42.059 0.000 . 1 . . . . . 106 LYS CE . 51937 1 1124 . 1 . 1 106 106 LYS N N 15 124.695 0.052 . 1 . . . . . 106 LYS N . 51937 1 1125 . 1 . 1 107 107 CYS H H 1 8.111 0.010 . 1 . . . . . 107 CYS H . 51937 1 1126 . 1 . 1 107 107 CYS HA H 1 4.199 0.011 . 1 . . . . . 107 CYS HA . 51937 1 1127 . 1 . 1 107 107 CYS HB2 H 1 3.766 0.010 . 2 . . . . . 107 CYS HB2 . 51937 1 1128 . 1 . 1 107 107 CYS HB3 H 1 2.919 0.011 . 2 . . . . . 107 CYS HB3 . 51937 1 1129 . 1 . 1 107 107 CYS C C 13 174.943 0.012 . 1 . . . . . 107 CYS C . 51937 1 1130 . 1 . 1 107 107 CYS CA C 13 60.953 0.173 . 1 . . . . . 107 CYS CA . 51937 1 1131 . 1 . 1 107 107 CYS CB C 13 44.937 0.045 . 1 . . . . . 107 CYS CB . 51937 1 1132 . 1 . 1 107 107 CYS N N 15 117.129 0.119 . 1 . . . . . 107 CYS N . 51937 1 1133 . 1 . 1 108 108 MET H H 1 7.536 0.014 . 1 . . . . . 108 MET H . 51937 1 1134 . 1 . 1 108 108 MET HA H 1 4.509 0.015 . 1 . . . . . 108 MET HA . 51937 1 1135 . 1 . 1 108 108 MET HB2 H 1 2.028 0.019 . 2 . . . . . 108 MET HB2 . 51937 1 1136 . 1 . 1 108 108 MET HB3 H 1 2.028 0.019 . 2 . . . . . 108 MET HB3 . 51937 1 1137 . 1 . 1 108 108 MET HG2 H 1 2.465 0.012 . 2 . . . . . 108 MET HG2 . 51937 1 1138 . 1 . 1 108 108 MET HG3 H 1 2.787 0.025 . 2 . . . . . 108 MET HG3 . 51937 1 1139 . 1 . 1 108 108 MET HE1 H 1 1.660 0.007 . 1 . . . . . 108 MET HE# . 51937 1 1140 . 1 . 1 108 108 MET HE2 H 1 1.660 0.007 . 1 . . . . . 108 MET HE# . 51937 1 1141 . 1 . 1 108 108 MET HE3 H 1 1.660 0.007 . 1 . . . . . 108 MET HE# . 51937 1 1142 . 1 . 1 108 108 MET C C 13 178.687 0.002 . 1 . . . . . 108 MET C . 51937 1 1143 . 1 . 1 108 108 MET CA C 13 55.270 0.028 . 1 . . . . . 108 MET CA . 51937 1 1144 . 1 . 1 108 108 MET CB C 13 29.227 0.059 . 1 . . . . . 108 MET CB . 51937 1 1145 . 1 . 1 108 108 MET CG C 13 31.241 0.040 . 1 . . . . . 108 MET CG . 51937 1 1146 . 1 . 1 108 108 MET CE C 13 15.077 0.000 . 1 . . . . . 108 MET CE . 51937 1 1147 . 1 . 1 108 108 MET N N 15 118.428 0.045 . 1 . . . . . 108 MET N . 51937 1 1148 . 1 . 1 109 109 LEU H H 1 8.686 0.009 . 1 . . . . . 109 LEU H . 51937 1 1149 . 1 . 1 109 109 LEU HA H 1 4.223 0.007 . 1 . . . . . 109 LEU HA . 51937 1 1150 . 1 . 1 109 109 LEU HB2 H 1 2.003 0.015 . 2 . . . . . 109 LEU HB2 . 51937 1 1151 . 1 . 1 109 109 LEU HB3 H 1 1.603 0.015 . 2 . . . . . 109 LEU HB3 . 51937 1 1152 . 1 . 1 109 109 LEU HG H 1 1.753 0.019 . 1 . . . . . 109 LEU HG . 51937 1 1153 . 1 . 1 109 109 LEU HD11 H 1 0.655 0.021 . 2 . . . . . 109 LEU QD1 . 51937 1 1154 . 1 . 1 109 109 LEU HD12 H 1 0.655 0.021 . 2 . . . . . 109 LEU QD1 . 51937 1 1155 . 1 . 1 109 109 LEU HD13 H 1 0.655 0.021 . 2 . . . . . 109 LEU QD1 . 51937 1 1156 . 1 . 1 109 109 LEU HD21 H 1 0.131 0.508 . 2 . . . . . 109 LEU QD2 . 51937 1 1157 . 1 . 1 109 109 LEU HD22 H 1 0.131 0.508 . 2 . . . . . 109 LEU QD2 . 51937 1 1158 . 1 . 1 109 109 LEU HD23 H 1 0.131 0.508 . 2 . . . . . 109 LEU QD2 . 51937 1 1159 . 1 . 1 109 109 LEU C C 13 176.657 0.017 . 1 . . . . . 109 LEU C . 51937 1 1160 . 1 . 1 109 109 LEU CA C 13 57.376 0.051 . 1 . . . . . 109 LEU CA . 51937 1 1161 . 1 . 1 109 109 LEU CB C 13 41.605 0.042 . 1 . . . . . 109 LEU CB . 51937 1 1162 . 1 . 1 109 109 LEU CG C 13 26.024 0.000 . 1 . . . . . 109 LEU CG . 51937 1 1163 . 1 . 1 109 109 LEU CD1 C 13 24.724 0.000 . 1 . . . . . 109 LEU CD1 . 51937 1 1164 . 1 . 1 109 109 LEU CD2 C 13 23.407 0.000 . 1 . . . . . 109 LEU CD2 . 51937 1 1165 . 1 . 1 109 109 LEU N N 15 123.050 0.083 . 1 . . . . . 109 LEU N . 51937 1 1166 . 1 . 1 110 110 ALA H H 1 7.477 0.016 . 1 . . . . . 110 ALA H . 51937 1 1167 . 1 . 1 110 110 ALA HA H 1 3.966 0.040 . 1 . . . . . 110 ALA HA . 51937 1 1168 . 1 . 1 110 110 ALA HB1 H 1 1.519 0.011 . 1 . . . . . 110 ALA HB# . 51937 1 1169 . 1 . 1 110 110 ALA HB2 H 1 1.519 0.011 . 1 . . . . . 110 ALA HB# . 51937 1 1170 . 1 . 1 110 110 ALA HB3 H 1 1.519 0.011 . 1 . . . . . 110 ALA HB# . 51937 1 1171 . 1 . 1 110 110 ALA C C 13 178.024 0.021 . 1 . . . . . 110 ALA C . 51937 1 1172 . 1 . 1 110 110 ALA CA C 13 55.244 0.072 . 1 . . . . . 110 ALA CA . 51937 1 1173 . 1 . 1 110 110 ALA CB C 13 18.141 0.048 . 1 . . . . . 110 ALA CB . 51937 1 1174 . 1 . 1 110 110 ALA N N 15 120.161 0.060 . 1 . . . . . 110 ALA N . 51937 1 1175 . 1 . 1 111 111 LEU H H 1 7.440 0.015 . 1 . . . . . 111 LEU H . 51937 1 1176 . 1 . 1 111 111 LEU HA H 1 3.821 0.009 . 1 . . . . . 111 LEU HA . 51937 1 1177 . 1 . 1 111 111 LEU HB2 H 1 1.975 0.015 . 2 . . . . . 111 LEU HB2 . 51937 1 1178 . 1 . 1 111 111 LEU HB3 H 1 1.573 0.012 . 2 . . . . . 111 LEU HB3 . 51937 1 1179 . 1 . 1 111 111 LEU HG H 1 1.516 0.001 . 1 . . . . . 111 LEU HG . 51937 1 1180 . 1 . 1 111 111 LEU HD11 H 1 1.042 0.022 . 2 . . . . . 111 LEU QD1 . 51937 1 1181 . 1 . 1 111 111 LEU HD12 H 1 1.042 0.022 . 2 . . . . . 111 LEU QD1 . 51937 1 1182 . 1 . 1 111 111 LEU HD13 H 1 1.042 0.022 . 2 . . . . . 111 LEU QD1 . 51937 1 1183 . 1 . 1 111 111 LEU HD21 H 1 0.685 0.023 . 2 . . . . . 111 LEU QD2 . 51937 1 1184 . 1 . 1 111 111 LEU HD22 H 1 0.685 0.023 . 2 . . . . . 111 LEU QD2 . 51937 1 1185 . 1 . 1 111 111 LEU HD23 H 1 0.685 0.023 . 2 . . . . . 111 LEU QD2 . 51937 1 1186 . 1 . 1 111 111 LEU C C 13 177.100 0.001 . 1 . . . . . 111 LEU C . 51937 1 1187 . 1 . 1 111 111 LEU CA C 13 58.569 0.086 . 1 . . . . . 111 LEU CA . 51937 1 1188 . 1 . 1 111 111 LEU CB C 13 42.583 0.044 . 1 . . . . . 111 LEU CB . 51937 1 1189 . 1 . 1 111 111 LEU CG C 13 26.457 0.027 . 1 . . . . . 111 LEU CG . 51937 1 1190 . 1 . 1 111 111 LEU CD1 C 13 25.211 0.000 . 1 . . . . . 111 LEU CD1 . 51937 1 1191 . 1 . 1 111 111 LEU CD2 C 13 24.052 0.117 . 1 . . . . . 111 LEU CD2 . 51937 1 1192 . 1 . 1 111 111 LEU N N 15 117.125 0.062 . 1 . . . . . 111 LEU N . 51937 1 1193 . 1 . 1 112 112 SER H H 1 8.169 0.011 . 1 . . . . . 112 SER H . 51937 1 1194 . 1 . 1 112 112 SER HA H 1 4.155 0.027 . 1 . . . . . 112 SER HA . 51937 1 1195 . 1 . 1 112 112 SER HB2 H 1 3.972 0.000 . 2 . . . . . 112 SER HB2 . 51937 1 1196 . 1 . 1 112 112 SER HB3 H 1 3.914 0.008 . 2 . . . . . 112 SER HB3 . 51937 1 1197 . 1 . 1 112 112 SER C C 13 174.491 0.074 . 1 . . . . . 112 SER C . 51937 1 1198 . 1 . 1 112 112 SER CA C 13 61.482 0.051 . 1 . . . . . 112 SER CA . 51937 1 1199 . 1 . 1 112 112 SER CB C 13 62.548 0.015 . 1 . . . . . 112 SER CB . 51937 1 1200 . 1 . 1 112 112 SER N N 15 114.427 0.103 . 1 . . . . . 112 SER N . 51937 1 1201 . 1 . 1 113 113 ILE H H 1 9.004 0.013 . 1 . . . . . 113 ILE H . 51937 1 1202 . 1 . 1 113 113 ILE HA H 1 3.613 0.015 . 1 . . . . . 113 ILE HA . 51937 1 1203 . 1 . 1 113 113 ILE HB H 1 1.813 0.014 . 1 . . . . . 113 ILE HB . 51937 1 1204 . 1 . 1 113 113 ILE HG12 H 1 1.077 0.017 . 2 . . . . . 113 ILE HG12 . 51937 1 1205 . 1 . 1 113 113 ILE HG13 H 1 1.077 0.017 . 2 . . . . . 113 ILE HG13 . 51937 1 1206 . 1 . 1 113 113 ILE HG21 H 1 0.836 0.010 . 1 . . . . . 113 ILE QG2 . 51937 1 1207 . 1 . 1 113 113 ILE HG22 H 1 0.836 0.010 . 1 . . . . . 113 ILE QG2 . 51937 1 1208 . 1 . 1 113 113 ILE HG23 H 1 0.836 0.010 . 1 . . . . . 113 ILE QG2 . 51937 1 1209 . 1 . 1 113 113 ILE HD11 H 1 0.194 0.000 . 1 . . . . . 113 ILE QD1 . 51937 1 1210 . 1 . 1 113 113 ILE HD12 H 1 0.194 0.000 . 1 . . . . . 113 ILE QD1 . 51937 1 1211 . 1 . 1 113 113 ILE HD13 H 1 0.194 0.000 . 1 . . . . . 113 ILE QD1 . 51937 1 1212 . 1 . 1 113 113 ILE C C 13 176.341 0.008 . 1 . . . . . 113 ILE C . 51937 1 1213 . 1 . 1 113 113 ILE CA C 13 65.684 0.043 . 1 . . . . . 113 ILE CA . 51937 1 1214 . 1 . 1 113 113 ILE CB C 13 37.453 0.042 . 1 . . . . . 113 ILE CB . 51937 1 1215 . 1 . 1 113 113 ILE CG1 C 13 28.791 0.000 . 1 . . . . . 113 ILE CG1 . 51937 1 1216 . 1 . 1 113 113 ILE CG2 C 13 17.692 0.048 . 1 . . . . . 113 ILE CG2 . 51937 1 1217 . 1 . 1 113 113 ILE CD1 C 13 14.728 0.000 . 1 . . . . . 113 ILE CD1 . 51937 1 1218 . 1 . 1 113 113 ILE N N 15 123.322 0.059 . 1 . . . . . 113 ILE N . 51937 1 1219 . 1 . 1 114 114 ALA H H 1 8.605 0.011 . 1 . . . . . 114 ALA H . 51937 1 1220 . 1 . 1 114 114 ALA HA H 1 4.020 0.016 . 1 . . . . . 114 ALA HA . 51937 1 1221 . 1 . 1 114 114 ALA HB1 H 1 1.547 0.006 . 1 . . . . . 114 ALA HB# . 51937 1 1222 . 1 . 1 114 114 ALA HB2 H 1 1.547 0.006 . 1 . . . . . 114 ALA HB# . 51937 1 1223 . 1 . 1 114 114 ALA HB3 H 1 1.547 0.006 . 1 . . . . . 114 ALA HB# . 51937 1 1224 . 1 . 1 114 114 ALA C C 13 178.502 0.003 . 1 . . . . . 114 ALA C . 51937 1 1225 . 1 . 1 114 114 ALA CA C 13 55.733 0.167 . 1 . . . . . 114 ALA CA . 51937 1 1226 . 1 . 1 114 114 ALA CB C 13 17.878 0.046 . 1 . . . . . 114 ALA CB . 51937 1 1227 . 1 . 1 114 114 ALA N N 15 121.869 0.064 . 1 . . . . . 114 ALA N . 51937 1 1228 . 1 . 1 115 115 MET H H 1 8.228 0.010 . 1 . . . . . 115 MET H . 51937 1 1229 . 1 . 1 115 115 MET HA H 1 4.640 0.015 . 1 . . . . . 115 MET HA . 51937 1 1230 . 1 . 1 115 115 MET HB2 H 1 2.289 0.010 . 2 . . . . . 115 MET HB2 . 51937 1 1231 . 1 . 1 115 115 MET HB3 H 1 2.143 0.013 . 2 . . . . . 115 MET HB3 . 51937 1 1232 . 1 . 1 115 115 MET HG2 H 1 3.083 0.006 . 2 . . . . . 115 MET HG2 . 51937 1 1233 . 1 . 1 115 115 MET HG3 H 1 2.675 0.007 . 2 . . . . . 115 MET HG3 . 51937 1 1234 . 1 . 1 115 115 MET HE1 H 1 1.276 0.011 . 1 . . . . . 115 MET HE# . 51937 1 1235 . 1 . 1 115 115 MET HE2 H 1 1.276 0.011 . 1 . . . . . 115 MET HE# . 51937 1 1236 . 1 . 1 115 115 MET HE3 H 1 1.276 0.011 . 1 . . . . . 115 MET HE# . 51937 1 1237 . 1 . 1 115 115 MET C C 13 177.946 0.011 . 1 . . . . . 115 MET C . 51937 1 1238 . 1 . 1 115 115 MET CA C 13 56.057 0.055 . 1 . . . . . 115 MET CA . 51937 1 1239 . 1 . 1 115 115 MET CB C 13 30.172 0.059 . 1 . . . . . 115 MET CB . 51937 1 1240 . 1 . 1 115 115 MET CG C 13 31.241 0.056 . 1 . . . . . 115 MET CG . 51937 1 1241 . 1 . 1 115 115 MET CE C 13 18.575 0.000 . 1 . . . . . 115 MET CE . 51937 1 1242 . 1 . 1 115 115 MET N N 15 114.716 0.057 . 1 . . . . . 115 MET N . 51937 1 1243 . 1 . 1 116 116 CYS H H 1 8.228 0.010 . 1 . . . . . 116 CYS H . 51937 1 1244 . 1 . 1 116 116 CYS HA H 1 4.424 0.010 . 1 . . . . . 116 CYS HA . 51937 1 1245 . 1 . 1 116 116 CYS HB2 H 1 3.517 0.012 . 2 . . . . . 116 CYS HB2 . 51937 1 1246 . 1 . 1 116 116 CYS HB3 H 1 3.456 0.027 . 2 . . . . . 116 CYS HB3 . 51937 1 1247 . 1 . 1 116 116 CYS HG H 1 1.805 0.003 . 1 . . . . . 116 CYS HG . 51937 1 1248 . 1 . 1 116 116 CYS C C 13 174.362 0.010 . 1 . . . . . 116 CYS C . 51937 1 1249 . 1 . 1 116 116 CYS CA C 13 59.148 0.054 . 1 . . . . . 116 CYS CA . 51937 1 1250 . 1 . 1 116 116 CYS CB C 13 39.156 0.038 . 1 . . . . . 116 CYS CB . 51937 1 1251 . 1 . 1 116 116 CYS N N 15 124.572 0.052 . 1 . . . . . 116 CYS N . 51937 1 1252 . 1 . 1 117 117 PHE H H 1 9.381 0.010 . 1 . . . . . 117 PHE H . 51937 1 1253 . 1 . 1 117 117 PHE HA H 1 4.139 0.012 . 1 . . . . . 117 PHE HA . 51937 1 1254 . 1 . 1 117 117 PHE HB2 H 1 3.504 0.011 . 2 . . . . . 117 PHE HB2 . 51937 1 1255 . 1 . 1 117 117 PHE HB3 H 1 3.141 0.011 . 2 . . . . . 117 PHE HB3 . 51937 1 1256 . 1 . 1 117 117 PHE C C 13 175.179 0.002 . 1 . . . . . 117 PHE C . 51937 1 1257 . 1 . 1 117 117 PHE CA C 13 60.617 0.053 . 1 . . . . . 117 PHE CA . 51937 1 1258 . 1 . 1 117 117 PHE CB C 13 39.501 0.055 . 1 . . . . . 117 PHE CB . 51937 1 1259 . 1 . 1 117 117 PHE N N 15 123.679 0.039 . 1 . . . . . 117 PHE N . 51937 1 1260 . 1 . 1 118 118 LYS H H 1 8.750 0.014 . 1 . . . . . 118 LYS H . 51937 1 1261 . 1 . 1 118 118 LYS HA H 1 4.035 0.010 . 1 . . . . . 118 LYS HA . 51937 1 1262 . 1 . 1 118 118 LYS HB2 H 1 2.005 0.026 . 2 . . . . . 118 LYS HB2 . 51937 1 1263 . 1 . 1 118 118 LYS HB3 H 1 1.974 0.020 . 2 . . . . . 118 LYS HB3 . 51937 1 1264 . 1 . 1 118 118 LYS HG2 H 1 1.655 0.003 . 2 . . . . . 118 LYS HG2 . 51937 1 1265 . 1 . 1 118 118 LYS HG3 H 1 1.655 0.003 . 2 . . . . . 118 LYS HG3 . 51937 1 1266 . 1 . 1 118 118 LYS C C 13 176.812 0.006 . 1 . . . . . 118 LYS C . 51937 1 1267 . 1 . 1 118 118 LYS CA C 13 59.170 0.078 . 1 . . . . . 118 LYS CA . 51937 1 1268 . 1 . 1 118 118 LYS CB C 13 33.068 0.080 . 1 . . . . . 118 LYS CB . 51937 1 1269 . 1 . 1 118 118 LYS CG C 13 24.883 0.209 . 1 . . . . . 118 LYS CG . 51937 1 1270 . 1 . 1 118 118 LYS CD C 13 29.084 0.000 . 1 . . . . . 118 LYS CD . 51937 1 1271 . 1 . 1 118 118 LYS CE C 13 42.313 0.000 . 1 . . . . . 118 LYS CE . 51937 1 1272 . 1 . 1 118 118 LYS N N 15 119.177 0.099 . 1 . . . . . 118 LYS N . 51937 1 1273 . 1 . 1 119 119 ALA H H 1 7.568 0.011 . 1 . . . . . 119 ALA H . 51937 1 1274 . 1 . 1 119 119 ALA HA H 1 4.272 0.009 . 1 . . . . . 119 ALA HA . 51937 1 1275 . 1 . 1 119 119 ALA HB1 H 1 1.641 0.007 . 1 . . . . . 119 ALA HB# . 51937 1 1276 . 1 . 1 119 119 ALA HB2 H 1 1.641 0.007 . 1 . . . . . 119 ALA HB# . 51937 1 1277 . 1 . 1 119 119 ALA HB3 H 1 1.641 0.007 . 1 . . . . . 119 ALA HB# . 51937 1 1278 . 1 . 1 119 119 ALA C C 13 180.288 0.004 . 1 . . . . . 119 ALA C . 51937 1 1279 . 1 . 1 119 119 ALA CA C 13 54.902 0.071 . 1 . . . . . 119 ALA CA . 51937 1 1280 . 1 . 1 119 119 ALA CB C 13 17.671 0.061 . 1 . . . . . 119 ALA CB . 51937 1 1281 . 1 . 1 119 119 ALA N N 15 118.700 0.123 . 1 . . . . . 119 ALA N . 51937 1 1282 . 1 . 1 120 120 GLU H H 1 7.937 0.009 . 1 . . . . . 120 GLU H . 51937 1 1283 . 1 . 1 120 120 GLU HA H 1 4.080 0.012 . 1 . . . . . 120 GLU HA . 51937 1 1284 . 1 . 1 120 120 GLU HB2 H 1 2.011 0.015 . 2 . . . . . 120 GLU HB2 . 51937 1 1285 . 1 . 1 120 120 GLU HB3 H 1 2.011 0.015 . 2 . . . . . 120 GLU HB3 . 51937 1 1286 . 1 . 1 120 120 GLU HG2 H 1 2.551 0.018 . 2 . . . . . 120 GLU HG2 . 51937 1 1287 . 1 . 1 120 120 GLU HG3 H 1 2.431 0.015 . 2 . . . . . 120 GLU HG3 . 51937 1 1288 . 1 . 1 120 120 GLU C C 13 177.794 0.009 . 1 . . . . . 120 GLU C . 51937 1 1289 . 1 . 1 120 120 GLU CA C 13 57.963 0.084 . 1 . . . . . 120 GLU CA . 51937 1 1290 . 1 . 1 120 120 GLU CB C 13 29.293 0.065 . 1 . . . . . 120 GLU CB . 51937 1 1291 . 1 . 1 120 120 GLU CG C 13 34.827 0.084 . 1 . . . . . 120 GLU CG . 51937 1 1292 . 1 . 1 120 120 GLU N N 15 117.808 0.053 . 1 . . . . . 120 GLU N . 51937 1 1293 . 1 . 1 121 121 ILE H H 1 8.521 0.009 . 1 . . . . . 121 ILE H . 51937 1 1294 . 1 . 1 121 121 ILE HA H 1 3.673 0.014 . 1 . . . . . 121 ILE HA . 51937 1 1295 . 1 . 1 121 121 ILE HB H 1 2.290 0.008 . 1 . . . . . 121 ILE HB . 51937 1 1296 . 1 . 1 121 121 ILE HG12 H 1 1.209 0.006 . 2 . . . . . 121 ILE HG12 . 51937 1 1297 . 1 . 1 121 121 ILE HG13 H 1 1.209 0.006 . 2 . . . . . 121 ILE HG13 . 51937 1 1298 . 1 . 1 121 121 ILE HG21 H 1 0.533 0.018 . 1 . . . . . 121 ILE QG2 . 51937 1 1299 . 1 . 1 121 121 ILE HG22 H 1 0.533 0.018 . 1 . . . . . 121 ILE QG2 . 51937 1 1300 . 1 . 1 121 121 ILE HG23 H 1 0.533 0.018 . 1 . . . . . 121 ILE QG2 . 51937 1 1301 . 1 . 1 121 121 ILE C C 13 178.693 0.012 . 1 . . . . . 121 ILE C . 51937 1 1302 . 1 . 1 121 121 ILE CA C 13 60.826 0.123 . 1 . . . . . 121 ILE CA . 51937 1 1303 . 1 . 1 121 121 ILE CB C 13 33.717 0.063 . 1 . . . . . 121 ILE CB . 51937 1 1304 . 1 . 1 121 121 ILE CG1 C 13 25.635 0.050 . 1 . . . . . 121 ILE CG1 . 51937 1 1305 . 1 . 1 121 121 ILE CG2 C 13 18.440 0.040 . 1 . . . . . 121 ILE CG2 . 51937 1 1306 . 1 . 1 121 121 ILE CD1 C 13 17.375 0.000 . 1 . . . . . 121 ILE CD1 . 51937 1 1307 . 1 . 1 121 121 ILE N N 15 120.847 0.074 . 1 . . . . . 121 ILE N . 51937 1 1308 . 1 . 1 122 122 HIS H H 1 8.644 0.009 . 1 . . . . . 122 HIS H . 51937 1 1309 . 1 . 1 122 122 HIS HA H 1 4.339 0.015 . 1 . . . . . 122 HIS HA . 51937 1 1310 . 1 . 1 122 122 HIS HB2 H 1 3.304 0.014 . 2 . . . . . 122 HIS HB2 . 51937 1 1311 . 1 . 1 122 122 HIS HB3 H 1 3.304 0.014 . 2 . . . . . 122 HIS HB3 . 51937 1 1312 . 1 . 1 122 122 HIS C C 13 178.341 0.006 . 1 . . . . . 122 HIS C . 51937 1 1313 . 1 . 1 122 122 HIS CA C 13 60.377 0.078 . 1 . . . . . 122 HIS CA . 51937 1 1314 . 1 . 1 122 122 HIS CB C 13 28.145 0.045 . 1 . . . . . 122 HIS CB . 51937 1 1315 . 1 . 1 122 122 HIS N N 15 119.629 0.060 . 1 . . . . . 122 HIS N . 51937 1 1316 . 1 . 1 123 123 LYS H H 1 7.676 0.018 . 1 . . . . . 123 LYS H . 51937 1 1317 . 1 . 1 123 123 LYS HA H 1 3.994 0.009 . 1 . . . . . 123 LYS HA . 51937 1 1318 . 1 . 1 123 123 LYS HB2 H 1 1.931 0.009 . 2 . . . . . 123 LYS HB2 . 51937 1 1319 . 1 . 1 123 123 LYS HB3 H 1 1.826 0.016 . 2 . . . . . 123 LYS HB3 . 51937 1 1320 . 1 . 1 123 123 LYS HG2 H 1 1.426 0.016 . 2 . . . . . 123 LYS HG2 . 51937 1 1321 . 1 . 1 123 123 LYS HG3 H 1 1.149 0.052 . 2 . . . . . 123 LYS HG3 . 51937 1 1322 . 1 . 1 123 123 LYS HD2 H 1 1.671 0.007 . 2 . . . . . 123 LYS HD2 . 51937 1 1323 . 1 . 1 123 123 LYS HD3 H 1 1.671 0.007 . 2 . . . . . 123 LYS HD3 . 51937 1 1324 . 1 . 1 123 123 LYS C C 13 176.985 0.007 . 1 . . . . . 123 LYS C . 51937 1 1325 . 1 . 1 123 123 LYS CA C 13 59.273 0.068 . 1 . . . . . 123 LYS CA . 51937 1 1326 . 1 . 1 123 123 LYS CB C 13 31.831 0.022 . 1 . . . . . 123 LYS CB . 51937 1 1327 . 1 . 1 123 123 LYS CG C 13 24.767 0.000 . 1 . . . . . 123 LYS CG . 51937 1 1328 . 1 . 1 123 123 LYS CD C 13 29.062 0.000 . 1 . . . . . 123 LYS CD . 51937 1 1329 . 1 . 1 123 123 LYS CE C 13 41.489 0.000 . 1 . . . . . 123 LYS CE . 51937 1 1330 . 1 . 1 123 123 LYS N N 15 120.851 0.109 . 1 . . . . . 123 LYS N . 51937 1 1331 . 1 . 1 124 124 LEU H H 1 6.998 0.017 . 1 . . . . . 124 LEU H . 51937 1 1332 . 1 . 1 124 124 LEU HA H 1 3.767 0.015 . 1 . . . . . 124 LEU HA . 51937 1 1333 . 1 . 1 124 124 LEU HB2 H 1 0.786 0.011 . 2 . . . . . 124 LEU HB2 . 51937 1 1334 . 1 . 1 124 124 LEU HB3 H 1 -0.110 0.015 . 2 . . . . . 124 LEU HB3 . 51937 1 1335 . 1 . 1 124 124 LEU HD11 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD1 . 51937 1 1336 . 1 . 1 124 124 LEU HD12 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD1 . 51937 1 1337 . 1 . 1 124 124 LEU HD13 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD1 . 51937 1 1338 . 1 . 1 124 124 LEU HD21 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD2 . 51937 1 1339 . 1 . 1 124 124 LEU HD22 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD2 . 51937 1 1340 . 1 . 1 124 124 LEU HD23 H 1 0.319 0.009 . 2 . . . . . 124 LEU QD2 . 51937 1 1341 . 1 . 1 124 124 LEU C C 13 174.319 0.008 . 1 . . . . . 124 LEU C . 51937 1 1342 . 1 . 1 124 124 LEU CA C 13 54.465 0.043 . 1 . . . . . 124 LEU CA . 51937 1 1343 . 1 . 1 124 124 LEU CB C 13 41.179 0.060 . 1 . . . . . 124 LEU CB . 51937 1 1344 . 1 . 1 124 124 LEU CG C 13 26.710 0.000 . 1 . . . . . 124 LEU CG . 51937 1 1345 . 1 . 1 124 124 LEU CD1 C 13 24.327 0.000 . 1 . . . . . 124 LEU CD1 . 51937 1 1346 . 1 . 1 124 124 LEU CD2 C 13 21.377 0.055 . 1 . . . . . 124 LEU CD2 . 51937 1 1347 . 1 . 1 124 124 LEU N N 15 118.281 0.063 . 1 . . . . . 124 LEU N . 51937 1 1348 . 1 . 1 125 125 ASP H H 1 7.919 0.010 . 1 . . . . . 125 ASP H . 51937 1 1349 . 1 . 1 125 125 ASP HA H 1 4.559 0.019 . 1 . . . . . 125 ASP HA . 51937 1 1350 . 1 . 1 125 125 ASP HB2 H 1 3.323 0.009 . 2 . . . . . 125 ASP HB2 . 51937 1 1351 . 1 . 1 125 125 ASP HB3 H 1 2.489 0.010 . 2 . . . . . 125 ASP HB3 . 51937 1 1352 . 1 . 1 125 125 ASP C C 13 175.959 0.006 . 1 . . . . . 125 ASP C . 51937 1 1353 . 1 . 1 125 125 ASP CA C 13 54.342 0.073 . 1 . . . . . 125 ASP CA . 51937 1 1354 . 1 . 1 125 125 ASP CB C 13 39.368 0.061 . 1 . . . . . 125 ASP CB . 51937 1 1355 . 1 . 1 125 125 ASP N N 15 114.921 0.079 . 1 . . . . . 125 ASP N . 51937 1 1356 . 1 . 1 126 126 TRP H H 1 7.560 0.010 . 1 . . . . . 126 TRP H . 51937 1 1357 . 1 . 1 126 126 TRP HA H 1 4.807 0.014 . 1 . . . . . 126 TRP HA . 51937 1 1358 . 1 . 1 126 126 TRP HB2 H 1 3.253 0.009 . 2 . . . . . 126 TRP HB2 . 51937 1 1359 . 1 . 1 126 126 TRP HB3 H 1 2.850 0.010 . 2 . . . . . 126 TRP HB3 . 51937 1 1360 . 1 . 1 126 126 TRP C C 13 172.963 0.004 . 1 . . . . . 126 TRP C . 51937 1 1361 . 1 . 1 126 126 TRP CA C 13 53.196 0.075 . 1 . . . . . 126 TRP CA . 51937 1 1362 . 1 . 1 126 126 TRP CB C 13 30.496 0.030 . 1 . . . . . 126 TRP CB . 51937 1 1363 . 1 . 1 126 126 TRP N N 15 115.867 0.039 . 1 . . . . . 126 TRP N . 51937 1 1364 . 1 . 1 127 127 ALA H H 1 7.375 0.007 . 1 . . . . . 127 ALA H . 51937 1 1365 . 1 . 1 127 127 ALA HA H 1 3.239 0.018 . 1 . . . . . 127 ALA HA . 51937 1 1366 . 1 . 1 127 127 ALA HB1 H 1 0.892 0.012 . 1 . . . . . 127 ALA HB# . 51937 1 1367 . 1 . 1 127 127 ALA HB2 H 1 0.892 0.012 . 1 . . . . . 127 ALA HB# . 51937 1 1368 . 1 . 1 127 127 ALA HB3 H 1 0.892 0.012 . 1 . . . . . 127 ALA HB# . 51937 1 1369 . 1 . 1 127 127 ALA C C 13 173.950 0.000 . 1 . . . . . 127 ALA C . 51937 1 1370 . 1 . 1 127 127 ALA CA C 13 48.511 0.043 . 1 . . . . . 127 ALA CA . 51937 1 1371 . 1 . 1 127 127 ALA CB C 13 17.944 0.030 . 1 . . . . . 127 ALA CB . 51937 1 1372 . 1 . 1 127 127 ALA N N 15 122.638 0.068 . 1 . . . . . 127 ALA N . 51937 1 1373 . 1 . 1 128 128 PRO HA H 1 3.838 0.000 . 1 . . . . . 128 PRO HA . 51937 1 1374 . 1 . 1 128 128 PRO HB2 H 1 1.862 0.007 . 2 . . . . . 128 PRO HB2 . 51937 1 1375 . 1 . 1 128 128 PRO HB3 H 1 1.618 0.002 . 2 . . . . . 128 PRO HB3 . 51937 1 1376 . 1 . 1 128 128 PRO HG2 H 1 0.526 0.002 . 2 . . . . . 128 PRO HG2 . 51937 1 1377 . 1 . 1 128 128 PRO HG3 H 1 0.148 0.007 . 2 . . . . . 128 PRO HG3 . 51937 1 1378 . 1 . 1 128 128 PRO HD2 H 1 3.268 0.000 . 2 . . . . . 128 PRO HD2 . 51937 1 1379 . 1 . 1 128 128 PRO HD3 H 1 3.268 0.000 . 2 . . . . . 128 PRO HD3 . 51937 1 1380 . 1 . 1 128 128 PRO C C 13 177.785 0.038 . 1 . . . . . 128 PRO C . 51937 1 1381 . 1 . 1 128 128 PRO CA C 13 59.253 0.033 . 1 . . . . . 128 PRO CA . 51937 1 1382 . 1 . 1 128 128 PRO CB C 13 28.591 0.221 . 1 . . . . . 128 PRO CB . 51937 1 1383 . 1 . 1 129 129 ASN H H 1 7.777 0.011 . 1 . . . . . 129 ASN H . 51937 1 1384 . 1 . 1 129 129 ASN HA H 1 4.268 0.009 . 1 . . . . . 129 ASN HA . 51937 1 1385 . 1 . 1 129 129 ASN HB2 H 1 1.635 0.015 . 2 . . . . . 129 ASN HB2 . 51937 1 1386 . 1 . 1 129 129 ASN HB3 H 1 1.635 0.015 . 2 . . . . . 129 ASN HB3 . 51937 1 1387 . 1 . 1 129 129 ASN C C 13 176.874 0.000 . 1 . . . . . 129 ASN C . 51937 1 1388 . 1 . 1 129 129 ASN CA C 13 55.696 0.056 . 1 . . . . . 129 ASN CA . 51937 1 1389 . 1 . 1 129 129 ASN CB C 13 41.670 0.051 . 1 . . . . . 129 ASN CB . 51937 1 1390 . 1 . 1 129 129 ASN N N 15 117.971 0.077 . 1 . . . . . 129 ASN N . 51937 1 1391 . 1 . 1 130 130 HIS H H 1 7.749 0.016 . 1 . . . . . 130 HIS H . 51937 1 1392 . 1 . 1 130 130 HIS HA H 1 4.489 0.009 . 1 . . . . . 130 HIS HA . 51937 1 1393 . 1 . 1 130 130 HIS HB2 H 1 2.859 0.018 . 2 . . . . . 130 HIS HB2 . 51937 1 1394 . 1 . 1 130 130 HIS HB3 H 1 2.151 0.004 . 2 . . . . . 130 HIS HB3 . 51937 1 1395 . 1 . 1 130 130 HIS C C 13 175.551 0.028 . 1 . . . . . 130 HIS C . 51937 1 1396 . 1 . 1 130 130 HIS CA C 13 56.248 0.309 . 1 . . . . . 130 HIS CA . 51937 1 1397 . 1 . 1 130 130 HIS CB C 13 34.713 0.001 . 1 . . . . . 130 HIS CB . 51937 1 1398 . 1 . 1 130 130 HIS N N 15 116.930 0.084 . 1 . . . . . 130 HIS N . 51937 1 1399 . 1 . 1 131 131 GLU H H 1 8.077 0.013 . 1 . . . . . 131 GLU H . 51937 1 1400 . 1 . 1 131 131 GLU HA H 1 4.329 0.005 . 1 . . . . . 131 GLU HA . 51937 1 1401 . 1 . 1 131 131 GLU HB2 H 1 0.935 0.000 . 2 . . . . . 131 GLU HB2 . 51937 1 1402 . 1 . 1 131 131 GLU HB3 H 1 0.935 0.000 . 2 . . . . . 131 GLU HB3 . 51937 1 1403 . 1 . 1 131 131 GLU HG2 H 1 1.651 0.004 . 2 . . . . . 131 GLU HG2 . 51937 1 1404 . 1 . 1 131 131 GLU HG3 H 1 1.651 0.004 . 2 . . . . . 131 GLU HG3 . 51937 1 1405 . 1 . 1 131 131 GLU C C 13 175.874 0.000 . 1 . . . . . 131 GLU C . 51937 1 1406 . 1 . 1 131 131 GLU CA C 13 54.656 0.065 . 1 . . . . . 131 GLU CA . 51937 1 1407 . 1 . 1 131 131 GLU N N 15 121.136 0.161 . 1 . . . . . 131 GLU N . 51937 1 1408 . 1 . 1 132 132 LEU H H 1 7.881 0.000 . 1 . . . . . 132 LEU H . 51937 1 1409 . 1 . 1 132 132 LEU HA H 1 4.312 0.000 . 1 . . . . . 132 LEU HA . 51937 1 1410 . 1 . 1 132 132 LEU HB2 H 1 1.637 0.000 . 2 . . . . . 132 LEU HB2 . 51937 1 1411 . 1 . 1 132 132 LEU HB3 H 1 1.516 0.000 . 2 . . . . . 132 LEU HB3 . 51937 1 1412 . 1 . 1 132 132 LEU C C 13 175.872 0.009 . 1 . . . . . 132 LEU C . 51937 1 1413 . 1 . 1 132 132 LEU CA C 13 54.529 0.047 . 1 . . . . . 132 LEU CA . 51937 1 1414 . 1 . 1 132 132 LEU CB C 13 41.696 0.023 . 1 . . . . . 132 LEU CB . 51937 1 1415 . 1 . 1 132 132 LEU CG C 13 26.563 0.000 . 1 . . . . . 132 LEU CG . 51937 1 1416 . 1 . 1 132 132 LEU CD1 C 13 24.671 0.000 . 1 . . . . . 132 LEU CD1 . 51937 1 1417 . 1 . 1 132 132 LEU CD2 C 13 22.946 0.000 . 1 . . . . . 132 LEU CD2 . 51937 1 1418 . 1 . 1 132 132 LEU N N 15 118.660 0.000 . 1 . . . . . 132 LEU N . 51937 1 1419 . 1 . 1 133 133 MET H H 1 7.885 0.004 . 1 . . . . . 133 MET H . 51937 1 1420 . 1 . 1 133 133 MET HA H 1 4.328 0.009 . 1 . . . . . 133 MET HA . 51937 1 1421 . 1 . 1 133 133 MET HB2 H 1 1.894 0.005 . 2 . . . . . 133 MET HB2 . 51937 1 1422 . 1 . 1 133 133 MET HB3 H 1 1.894 0.005 . 2 . . . . . 133 MET HB3 . 51937 1 1423 . 1 . 1 133 133 MET HG2 H 1 2.392 0.021 . 2 . . . . . 133 MET HG2 . 51937 1 1424 . 1 . 1 133 133 MET HG3 H 1 2.392 0.021 . 2 . . . . . 133 MET HG3 . 51937 1 1425 . 1 . 1 133 133 MET C C 13 174.466 0.005 . 1 . . . . . 133 MET C . 51937 1 1426 . 1 . 1 133 133 MET CA C 13 55.273 0.132 . 1 . . . . . 133 MET CA . 51937 1 1427 . 1 . 1 133 133 MET CB C 13 32.243 0.151 . 1 . . . . . 133 MET CB . 51937 1 1428 . 1 . 1 133 133 MET CG C 13 31.061 0.000 . 1 . . . . . 133 MET CG . 51937 1 1429 . 1 . 1 133 133 MET N N 15 118.625 0.071 . 1 . . . . . 133 MET N . 51937 1 1430 . 1 . 1 134 134 PHE H H 1 8.033 0.019 . 1 . . . . . 134 PHE H . 51937 1 1431 . 1 . 1 134 134 PHE HA H 1 4.707 0.003 . 1 . . . . . 134 PHE HA . 51937 1 1432 . 1 . 1 134 134 PHE HB2 H 1 3.346 0.004 . 2 . . . . . 134 PHE HB2 . 51937 1 1433 . 1 . 1 134 134 PHE HB3 H 1 3.245 0.004 . 2 . . . . . 134 PHE HB3 . 51937 1 1434 . 1 . 1 134 134 PHE C C 13 174.004 0.000 . 1 . . . . . 134 PHE C . 51937 1 1435 . 1 . 1 134 134 PHE CA C 13 56.658 0.090 . 1 . . . . . 134 PHE CA . 51937 1 1436 . 1 . 1 134 134 PHE CB C 13 38.502 0.129 . 1 . . . . . 134 PHE CB . 51937 1 1437 . 1 . 1 134 134 PHE N N 15 121.086 0.075 . 1 . . . . . 134 PHE N . 51937 1 1438 . 1 . 1 135 135 GLU H H 1 8.092 0.013 . 1 . . . . . 135 GLU H . 51937 1 1439 . 1 . 1 135 135 GLU HA H 1 4.432 0.006 . 1 . . . . . 135 GLU HA . 51937 1 1440 . 1 . 1 135 135 GLU HB2 H 1 1.913 0.000 . 2 . . . . . 135 GLU HB2 . 51937 1 1441 . 1 . 1 135 135 GLU HB3 H 1 1.913 0.000 . 2 . . . . . 135 GLU HB3 . 51937 1 1442 . 1 . 1 135 135 GLU HG2 H 1 2.459 0.017 . 2 . . . . . 135 GLU HG2 . 51937 1 1443 . 1 . 1 135 135 GLU HG3 H 1 2.459 0.017 . 2 . . . . . 135 GLU HG3 . 51937 1 1444 . 1 . 1 135 135 GLU C C 13 172.968 0.046 . 1 . . . . . 135 GLU C . 51937 1 1445 . 1 . 1 135 135 GLU CA C 13 56.306 0.336 . 1 . . . . . 135 GLU CA . 51937 1 1446 . 1 . 1 135 135 GLU CB C 13 31.700 0.003 . 1 . . . . . 135 GLU CB . 51937 1 1447 . 1 . 1 135 135 GLU CG C 13 35.782 0.000 . 1 . . . . . 135 GLU CG . 51937 1 1448 . 1 . 1 135 135 GLU N N 15 120.582 0.144 . 1 . . . . . 135 GLU N . 51937 1 1449 . 1 . 1 136 136 GLU H H 1 7.618 0.009 . 1 . . . . . 136 GLU H . 51937 1 1450 . 1 . 1 136 136 GLU HA H 1 4.343 0.000 . 1 . . . . . 136 GLU HA . 51937 1 1451 . 1 . 1 136 136 GLU HB2 H 1 1.977 0.000 . 2 . . . . . 136 GLU HB2 . 51937 1 1452 . 1 . 1 136 136 GLU HB3 H 1 1.595 0.000 . 2 . . . . . 136 GLU HB3 . 51937 1 1453 . 1 . 1 136 136 GLU HG3 H 1 2.886 0.000 . 2 . . . . . 136 GLU HG3 . 51937 1 1454 . 1 . 1 136 136 GLU C C 13 173.500 0.000 . 1 . . . . . 136 GLU C . 51937 1 1455 . 1 . 1 136 136 GLU CA C 13 53.763 0.099 . 1 . . . . . 136 GLU CA . 51937 1 1456 . 1 . 1 136 136 GLU CB C 13 31.784 0.000 . 1 . . . . . 136 GLU CB . 51937 1 1457 . 1 . 1 136 136 GLU N N 15 124.930 0.108 . 1 . . . . . 136 GLU N . 51937 1 1458 . 1 . 1 137 137 LEU H H 1 8.276 0.000 . 1 . . . . . 137 LEU H . 51937 1 1459 . 1 . 1 137 137 LEU HA H 1 4.440 0.000 . 1 . . . . . 137 LEU HA . 51937 1 1460 . 1 . 1 137 137 LEU HB2 H 1 1.606 0.000 . 2 . . . . . 137 LEU HB2 . 51937 1 1461 . 1 . 1 137 137 LEU HB3 H 1 1.606 0.000 . 2 . . . . . 137 LEU HB3 . 51937 1 1462 . 1 . 1 137 137 LEU HG H 1 1.290 0.012 . 1 . . . . . 137 LEU HG . 51937 1 1463 . 1 . 1 137 137 LEU HD11 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD1 . 51937 1 1464 . 1 . 1 137 137 LEU HD12 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD1 . 51937 1 1465 . 1 . 1 137 137 LEU HD13 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD1 . 51937 1 1466 . 1 . 1 137 137 LEU HD21 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD2 . 51937 1 1467 . 1 . 1 137 137 LEU HD22 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD2 . 51937 1 1468 . 1 . 1 137 137 LEU HD23 H 1 0.896 0.000 . 2 . . . . . 137 LEU QD2 . 51937 1 1469 . 1 . 1 137 137 LEU C C 13 175.828 0.006 . 1 . . . . . 137 LEU C . 51937 1 1470 . 1 . 1 137 137 LEU CA C 13 54.778 0.032 . 1 . . . . . 137 LEU CA . 51937 1 1471 . 1 . 1 137 137 LEU CB C 13 41.875 0.028 . 1 . . . . . 137 LEU CB . 51937 1 1472 . 1 . 1 137 137 LEU CG C 13 26.423 0.000 . 1 . . . . . 137 LEU CG . 51937 1 1473 . 1 . 1 137 137 LEU CD1 C 13 23.827 0.000 . 1 . . . . . 137 LEU CD1 . 51937 1 1474 . 1 . 1 137 137 LEU CD2 C 13 23.236 0.000 . 1 . . . . . 137 LEU CD2 . 51937 1 1475 . 1 . 1 137 137 LEU N N 15 122.503 0.000 . 1 . . . . . 137 LEU N . 51937 1 1476 . 1 . 1 138 138 VAL H H 1 8.280 0.005 . 1 . . . . . 138 VAL H . 51937 1 1477 . 1 . 1 138 138 VAL HA H 1 4.162 0.022 . 1 . . . . . 138 VAL HA . 51937 1 1478 . 1 . 1 138 138 VAL HB H 1 2.086 0.015 . 1 . . . . . 138 VAL HB . 51937 1 1479 . 1 . 1 138 138 VAL HG11 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG1 . 51937 1 1480 . 1 . 1 138 138 VAL HG12 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG1 . 51937 1 1481 . 1 . 1 138 138 VAL HG13 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG1 . 51937 1 1482 . 1 . 1 138 138 VAL HG21 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG2 . 51937 1 1483 . 1 . 1 138 138 VAL HG22 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG2 . 51937 1 1484 . 1 . 1 138 138 VAL HG23 H 1 0.936 0.008 . 2 . . . . . 138 VAL QG2 . 51937 1 1485 . 1 . 1 138 138 VAL C C 13 174.959 0.035 . 1 . . . . . 138 VAL C . 51937 1 1486 . 1 . 1 138 138 VAL CA C 13 61.789 0.069 . 1 . . . . . 138 VAL CA . 51937 1 1487 . 1 . 1 138 138 VAL CB C 13 32.586 0.284 . 1 . . . . . 138 VAL CB . 51937 1 1488 . 1 . 1 138 138 VAL CG1 C 13 20.204 0.000 . 1 . . . . . 138 VAL CG1 . 51937 1 1489 . 1 . 1 138 138 VAL N N 15 122.476 0.052 . 1 . . . . . 138 VAL N . 51937 1 1490 . 1 . 1 139 139 SER H H 1 8.250 0.010 . 1 . . . . . 139 SER H . 51937 1 1491 . 1 . 1 139 139 SER HA H 1 4.382 0.000 . 1 . . . . . 139 SER HA . 51937 1 1492 . 1 . 1 139 139 SER HB2 H 1 3.843 0.009 . 2 . . . . . 139 SER HB2 . 51937 1 1493 . 1 . 1 139 139 SER HB3 H 1 3.756 0.001 . 2 . . . . . 139 SER HB3 . 51937 1 1494 . 1 . 1 139 139 SER C C 13 173.285 0.145 . 1 . . . . . 139 SER C . 51937 1 1495 . 1 . 1 139 139 SER CA C 13 57.677 0.113 . 1 . . . . . 139 SER CA . 51937 1 1496 . 1 . 1 139 139 SER CB C 13 63.369 0.045 . 1 . . . . . 139 SER CB . 51937 1 1497 . 1 . 1 139 139 SER N N 15 118.987 0.078 . 1 . . . . . 139 SER N . 51937 1 1498 . 1 . 1 140 140 ASP H H 1 8.252 0.008 . 1 . . . . . 140 ASP H . 51937 1 1499 . 1 . 1 140 140 ASP HA H 1 4.442 0.012 . 1 . . . . . 140 ASP HA . 51937 1 1500 . 1 . 1 140 140 ASP HB2 H 1 2.699 0.008 . 2 . . . . . 140 ASP HB2 . 51937 1 1501 . 1 . 1 140 140 ASP HB3 H 1 2.526 0.019 . 2 . . . . . 140 ASP HB3 . 51937 1 1502 . 1 . 1 140 140 ASP C C 13 176.195 0.012 . 1 . . . . . 140 ASP C . 51937 1 1503 . 1 . 1 140 140 ASP CA C 13 55.586 0.383 . 1 . . . . . 140 ASP CA . 51937 1 1504 . 1 . 1 140 140 ASP CB C 13 40.787 0.150 . 1 . . . . . 140 ASP CB . 51937 1 1505 . 1 . 1 140 140 ASP N N 15 122.469 0.088 . 1 . . . . . 140 ASP N . 51937 1 1506 . 1 . 1 141 141 MET H H 1 8.047 0.006 . 1 . . . . . 141 MET H . 51937 1 1507 . 1 . 1 141 141 MET HA H 1 3.937 0.007 . 1 . . . . . 141 MET HA . 51937 1 1508 . 1 . 1 141 141 MET HB2 H 1 1.649 0.004 . 2 . . . . . 141 MET HB2 . 51937 1 1509 . 1 . 1 141 141 MET HB3 H 1 1.498 0.012 . 2 . . . . . 141 MET HB3 . 51937 1 1510 . 1 . 1 141 141 MET HG2 H 1 1.846 0.000 . 2 . . . . . 141 MET HG2 . 51937 1 1511 . 1 . 1 141 141 MET HG3 H 1 1.846 0.000 . 2 . . . . . 141 MET HG3 . 51937 1 1512 . 1 . 1 141 141 MET HE1 H 1 1.386 0.007 . 1 . . . . . 141 MET HE# . 51937 1 1513 . 1 . 1 141 141 MET HE2 H 1 1.386 0.007 . 1 . . . . . 141 MET HE# . 51937 1 1514 . 1 . 1 141 141 MET HE3 H 1 1.386 0.007 . 1 . . . . . 141 MET HE# . 51937 1 1515 . 1 . 1 141 141 MET C C 13 175.660 0.003 . 1 . . . . . 141 MET C . 51937 1 1516 . 1 . 1 141 141 MET CA C 13 57.632 0.174 . 1 . . . . . 141 MET CA . 51937 1 1517 . 1 . 1 141 141 MET CB C 13 32.913 0.088 . 1 . . . . . 141 MET CB . 51937 1 1518 . 1 . 1 141 141 MET CG C 13 31.281 0.000 . 1 . . . . . 141 MET CG . 51937 1 1519 . 1 . 1 141 141 MET N N 15 118.002 0.094 . 1 . . . . . 141 MET N . 51937 1 1520 . 1 . 1 142 142 TRP H H 1 7.656 0.013 . 1 . . . . . 142 TRP H . 51937 1 1521 . 1 . 1 142 142 TRP HA H 1 5.000 0.038 . 1 . . . . . 142 TRP HA . 51937 1 1522 . 1 . 1 142 142 TRP HB2 H 1 3.393 0.026 . 2 . . . . . 142 TRP HB2 . 51937 1 1523 . 1 . 1 142 142 TRP HB3 H 1 3.176 0.026 . 2 . . . . . 142 TRP HB3 . 51937 1 1524 . 1 . 1 142 142 TRP C C 13 175.069 0.004 . 1 . . . . . 142 TRP C . 51937 1 1525 . 1 . 1 142 142 TRP CA C 13 56.290 0.111 . 1 . . . . . 142 TRP CA . 51937 1 1526 . 1 . 1 142 142 TRP CB C 13 29.501 0.084 . 1 . . . . . 142 TRP CB . 51937 1 1527 . 1 . 1 142 142 TRP N N 15 116.724 0.066 . 1 . . . . . 142 TRP N . 51937 1 1528 . 1 . 1 143 143 ASN H H 1 8.259 0.006 . 1 . . . . . 143 ASN H . 51937 1 1529 . 1 . 1 143 143 ASN HA H 1 4.880 0.015 . 1 . . . . . 143 ASN HA . 51937 1 1530 . 1 . 1 143 143 ASN HB2 H 1 2.929 0.019 . 2 . . . . . 143 ASN HB2 . 51937 1 1531 . 1 . 1 143 143 ASN HB3 H 1 2.808 0.011 . 2 . . . . . 143 ASN HB3 . 51937 1 1532 . 1 . 1 143 143 ASN C C 13 173.299 0.006 . 1 . . . . . 143 ASN C . 51937 1 1533 . 1 . 1 143 143 ASN CA C 13 53.009 0.097 . 1 . . . . . 143 ASN CA . 51937 1 1534 . 1 . 1 143 143 ASN CB C 13 38.808 0.061 . 1 . . . . . 143 ASN CB . 51937 1 1535 . 1 . 1 143 143 ASN N N 15 119.931 0.095 . 1 . . . . . 143 ASN N . 51937 1 1536 . 1 . 1 144 144 SER H H 1 7.896 0.009 . 1 . . . . . 144 SER H . 51937 1 1537 . 1 . 1 144 144 SER HA H 1 4.304 0.023 . 1 . . . . . 144 SER HA . 51937 1 1538 . 1 . 1 144 144 SER HB2 H 1 3.892 0.006 . 2 . . . . . 144 SER HB2 . 51937 1 1539 . 1 . 1 144 144 SER HB3 H 1 3.892 0.006 . 2 . . . . . 144 SER HB3 . 51937 1 1540 . 1 . 1 144 144 SER C C 13 177.633 0.000 . 1 . . . . . 144 SER C . 51937 1 1541 . 1 . 1 144 144 SER CA C 13 59.627 0.018 . 1 . . . . . 144 SER CA . 51937 1 1542 . 1 . 1 144 144 SER CB C 13 64.470 0.030 . 1 . . . . . 144 SER CB . 51937 1 1543 . 1 . 1 144 144 SER N N 15 121.146 0.055 . 1 . . . . . 144 SER N . 51937 1 stop_ save_