data_53392 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53392 _Entry.Title ; 1H, 15N, 13C Backbone and side chains assignments of Mucoricin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-16 _Entry.Accession_date 2025-10-16 _Entry.Last_release_date 2025-10-16 _Entry.Original_release_date 2025-10-16 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Mucoricin is a key virulence factor in mucormycosis, as it targets host endothelial cells and inhibits protein translation through its N-glycosylase activity, leading to vascular leak and increased vascular permeability, thereby contributing to further disease progression. Its structure is quite unique, being structurally homologous to the Ricin B chain as confirmed by cross-reactivity with monoclonal anti-Ricin B chain antibodies, while exhibiting enzymatic activity similar to the Ricin A chain. Here, we report near-complete backbone 1 H, 15 N, and 13 C chemical shift assignments for 147 amino acids of Mucoricin from Rhizopus delemar at pH 7.5 using NMR spectroscopy. This represents a critical step toward identifying unique structural elements that contribute to its compact structure and toxin activity, which have remained evolutionarily conserved. The secondary structure probabilities derived from the chemical shift data are well aligned with the predicted AlphaFold model, reinforcing the accuracy of the assigned resonances and the structural integrity of recombinant Mucoricin. ; _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 Mansi Tanwar . . . 0009-0002-4615-0904 53392 2 Manish Kumar . . . . 53392 3 Priya Yadav . . . . 53392 4 Anamika Singh . . . . 53392 5 'Tej Pal' Singh . . . . 53392 6 'Neel Sarovar' Bhavesh . . . . 53392 7 Sujata Sharma . . . . 53392 8 Pradeep Sharma . . . 0000-0003-3826-8064 53392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 53392 '15N chemical shifts' 144 53392 '1H chemical shifts' 144 53392 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 . . 2026-02-10 2025-10-16 update author 'update assignments' 53392 1 . . 2025-11-17 2025-10-16 original author 'original release' 53392 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53392 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone Resonance Assignment of Mucoricin: A step towards structural insights into Mucor pathogenesis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomolecular NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Mansi Tanwar . . . . 53392 1 2 Manish Kumar . . . . 53392 1 3 Priya Yadav . . . . 53392 1 4 Anamika Singh . . . . 53392 1 5 'Tej Pal' Singh . . . . 53392 1 6 'Neel Sarovar' Bhavesh . . . . 53392 1 7 Sujata Sharma . . . . 53392 1 8 Pradeep Sharma . . . . 53392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53392 _Assembly.ID 1 _Assembly.Name 'Mucoricin monomer' _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 19.91 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mucoricin 1 $entity_1 . . yes native no no . . . 53392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53392 _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 ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSMYFEEG RLFFIKSQFNGRVLDVEDGS TEDDANIIVYTQKYEDCLNQ LWRYENGYFINAKSAKVLDI RGGEMQPESQIIQYAQKMVE EAANQRWAIDEDGYIFCEAR PDLVLDIQGAEDEDCVPVIL YERREGEVSANQRWELVPFE G ; _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53392 1 2 . GLY . 53392 1 3 . SER . 53392 1 4 . SER . 53392 1 5 . HIS . 53392 1 6 . HIS . 53392 1 7 . HIS . 53392 1 8 . HIS . 53392 1 9 . HIS . 53392 1 10 . HIS . 53392 1 11 . SER . 53392 1 12 . SER . 53392 1 13 . GLY . 53392 1 14 . LEU . 53392 1 15 . VAL . 53392 1 16 . PRO . 53392 1 17 . ARG . 53392 1 18 . GLY . 53392 1 19 . SER . 53392 1 20 . HIS . 53392 1 21 . MET . 53392 1 22 . ALA . 53392 1 23 . SER . 53392 1 24 . MET . 53392 1 25 . THR . 53392 1 26 . GLY . 53392 1 27 . GLY . 53392 1 28 . GLN . 53392 1 29 . GLN . 53392 1 30 . MET . 53392 1 31 . GLY . 53392 1 32 . ARG . 53392 1 33 . GLY . 53392 1 34 . SER . 53392 1 35 . MET . 53392 1 36 . TYR . 53392 1 37 . PHE . 53392 1 38 . GLU . 53392 1 39 . GLU . 53392 1 40 . GLY . 53392 1 41 . ARG . 53392 1 42 . LEU . 53392 1 43 . PHE . 53392 1 44 . PHE . 53392 1 45 . ILE . 53392 1 46 . LYS . 53392 1 47 . SER . 53392 1 48 . GLN . 53392 1 49 . PHE . 53392 1 50 . ASN . 53392 1 51 . GLY . 53392 1 52 . ARG . 53392 1 53 . VAL . 53392 1 54 . LEU . 53392 1 55 . ASP . 53392 1 56 . VAL . 53392 1 57 . GLU . 53392 1 58 . ASP . 53392 1 59 . GLY . 53392 1 60 . SER . 53392 1 61 . THR . 53392 1 62 . GLU . 53392 1 63 . ASP . 53392 1 64 . ASP . 53392 1 65 . ALA . 53392 1 66 . ASN . 53392 1 67 . ILE . 53392 1 68 . ILE . 53392 1 69 . VAL . 53392 1 70 . TYR . 53392 1 71 . THR . 53392 1 72 . GLN . 53392 1 73 . LYS . 53392 1 74 . TYR . 53392 1 75 . GLU . 53392 1 76 . ASP . 53392 1 77 . CYS . 53392 1 78 . LEU . 53392 1 79 . ASN . 53392 1 80 . GLN . 53392 1 81 . LEU . 53392 1 82 . TRP . 53392 1 83 . ARG . 53392 1 84 . TYR . 53392 1 85 . GLU . 53392 1 86 . ASN . 53392 1 87 . GLY . 53392 1 88 . TYR . 53392 1 89 . PHE . 53392 1 90 . ILE . 53392 1 91 . ASN . 53392 1 92 . ALA . 53392 1 93 . LYS . 53392 1 94 . SER . 53392 1 95 . ALA . 53392 1 96 . LYS . 53392 1 97 . VAL . 53392 1 98 . LEU . 53392 1 99 . ASP . 53392 1 100 . ILE . 53392 1 101 . ARG . 53392 1 102 . GLY . 53392 1 103 . GLY . 53392 1 104 . GLU . 53392 1 105 . MET . 53392 1 106 . GLN . 53392 1 107 . PRO . 53392 1 108 . GLU . 53392 1 109 . SER . 53392 1 110 . GLN . 53392 1 111 . ILE . 53392 1 112 . ILE . 53392 1 113 . GLN . 53392 1 114 . TYR . 53392 1 115 . ALA . 53392 1 116 . GLN . 53392 1 117 . LYS . 53392 1 118 . MET . 53392 1 119 . VAL . 53392 1 120 . GLU . 53392 1 121 . GLU . 53392 1 122 . ALA . 53392 1 123 . ALA . 53392 1 124 . ASN . 53392 1 125 . GLN . 53392 1 126 . ARG . 53392 1 127 . TRP . 53392 1 128 . ALA . 53392 1 129 . ILE . 53392 1 130 . ASP . 53392 1 131 . GLU . 53392 1 132 . ASP . 53392 1 133 . GLY . 53392 1 134 . TYR . 53392 1 135 . ILE . 53392 1 136 . PHE . 53392 1 137 . CYS . 53392 1 138 . GLU . 53392 1 139 . ALA . 53392 1 140 . ARG . 53392 1 141 . PRO . 53392 1 142 . ASP . 53392 1 143 . LEU . 53392 1 144 . VAL . 53392 1 145 . LEU . 53392 1 146 . ASP . 53392 1 147 . ILE . 53392 1 148 . GLN . 53392 1 149 . GLY . 53392 1 150 . ALA . 53392 1 151 . GLU . 53392 1 152 . ASP . 53392 1 153 . GLU . 53392 1 154 . ASP . 53392 1 155 . CYS . 53392 1 156 . VAL . 53392 1 157 . PRO . 53392 1 158 . VAL . 53392 1 159 . ILE . 53392 1 160 . LEU . 53392 1 161 . TYR . 53392 1 162 . GLU . 53392 1 163 . ARG . 53392 1 164 . ARG . 53392 1 165 . GLU . 53392 1 166 . GLY . 53392 1 167 . GLU . 53392 1 168 . VAL . 53392 1 169 . SER . 53392 1 170 . ALA . 53392 1 171 . ASN . 53392 1 172 . GLN . 53392 1 173 . ARG . 53392 1 174 . TRP . 53392 1 175 . GLU . 53392 1 176 . LEU . 53392 1 177 . VAL . 53392 1 178 . PRO . 53392 1 179 . PHE . 53392 1 180 . GLU . 53392 1 181 . GLY . 53392 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53392 1 . GLY 2 2 53392 1 . SER 3 3 53392 1 . SER 4 4 53392 1 . HIS 5 5 53392 1 . HIS 6 6 53392 1 . HIS 7 7 53392 1 . HIS 8 8 53392 1 . HIS 9 9 53392 1 . HIS 10 10 53392 1 . SER 11 11 53392 1 . SER 12 12 53392 1 . GLY 13 13 53392 1 . LEU 14 14 53392 1 . VAL 15 15 53392 1 . PRO 16 16 53392 1 . ARG 17 17 53392 1 . GLY 18 18 53392 1 . SER 19 19 53392 1 . HIS 20 20 53392 1 . MET 21 21 53392 1 . ALA 22 22 53392 1 . SER 23 23 53392 1 . MET 24 24 53392 1 . THR 25 25 53392 1 . GLY 26 26 53392 1 . GLY 27 27 53392 1 . GLN 28 28 53392 1 . GLN 29 29 53392 1 . MET 30 30 53392 1 . GLY 31 31 53392 1 . ARG 32 32 53392 1 . GLY 33 33 53392 1 . SER 34 34 53392 1 . MET 35 35 53392 1 . TYR 36 36 53392 1 . PHE 37 37 53392 1 . GLU 38 38 53392 1 . GLU 39 39 53392 1 . GLY 40 40 53392 1 . ARG 41 41 53392 1 . LEU 42 42 53392 1 . PHE 43 43 53392 1 . PHE 44 44 53392 1 . ILE 45 45 53392 1 . LYS 46 46 53392 1 . SER 47 47 53392 1 . GLN 48 48 53392 1 . PHE 49 49 53392 1 . ASN 50 50 53392 1 . GLY 51 51 53392 1 . ARG 52 52 53392 1 . VAL 53 53 53392 1 . LEU 54 54 53392 1 . ASP 55 55 53392 1 . VAL 56 56 53392 1 . GLU 57 57 53392 1 . ASP 58 58 53392 1 . GLY 59 59 53392 1 . SER 60 60 53392 1 . THR 61 61 53392 1 . GLU 62 62 53392 1 . ASP 63 63 53392 1 . ASP 64 64 53392 1 . ALA 65 65 53392 1 . ASN 66 66 53392 1 . ILE 67 67 53392 1 . ILE 68 68 53392 1 . VAL 69 69 53392 1 . TYR 70 70 53392 1 . THR 71 71 53392 1 . GLN 72 72 53392 1 . LYS 73 73 53392 1 . TYR 74 74 53392 1 . GLU 75 75 53392 1 . ASP 76 76 53392 1 . CYS 77 77 53392 1 . LEU 78 78 53392 1 . ASN 79 79 53392 1 . GLN 80 80 53392 1 . LEU 81 81 53392 1 . TRP 82 82 53392 1 . ARG 83 83 53392 1 . TYR 84 84 53392 1 . GLU 85 85 53392 1 . ASN 86 86 53392 1 . GLY 87 87 53392 1 . TYR 88 88 53392 1 . PHE 89 89 53392 1 . ILE 90 90 53392 1 . ASN 91 91 53392 1 . ALA 92 92 53392 1 . LYS 93 93 53392 1 . SER 94 94 53392 1 . ALA 95 95 53392 1 . LYS 96 96 53392 1 . VAL 97 97 53392 1 . LEU 98 98 53392 1 . ASP 99 99 53392 1 . ILE 100 100 53392 1 . ARG 101 101 53392 1 . GLY 102 102 53392 1 . GLY 103 103 53392 1 . GLU 104 104 53392 1 . MET 105 105 53392 1 . GLN 106 106 53392 1 . PRO 107 107 53392 1 . GLU 108 108 53392 1 . SER 109 109 53392 1 . GLN 110 110 53392 1 . ILE 111 111 53392 1 . ILE 112 112 53392 1 . GLN 113 113 53392 1 . TYR 114 114 53392 1 . ALA 115 115 53392 1 . GLN 116 116 53392 1 . LYS 117 117 53392 1 . MET 118 118 53392 1 . VAL 119 119 53392 1 . GLU 120 120 53392 1 . GLU 121 121 53392 1 . ALA 122 122 53392 1 . ALA 123 123 53392 1 . ASN 124 124 53392 1 . GLN 125 125 53392 1 . ARG 126 126 53392 1 . TRP 127 127 53392 1 . ALA 128 128 53392 1 . ILE 129 129 53392 1 . ASP 130 130 53392 1 . GLU 131 131 53392 1 . ASP 132 132 53392 1 . GLY 133 133 53392 1 . TYR 134 134 53392 1 . ILE 135 135 53392 1 . PHE 136 136 53392 1 . CYS 137 137 53392 1 . GLU 138 138 53392 1 . ALA 139 139 53392 1 . ARG 140 140 53392 1 . PRO 141 141 53392 1 . ASP 142 142 53392 1 . LEU 143 143 53392 1 . VAL 144 144 53392 1 . LEU 145 145 53392 1 . ASP 146 146 53392 1 . ILE 147 147 53392 1 . GLN 148 148 53392 1 . GLY 149 149 53392 1 . ALA 150 150 53392 1 . GLU 151 151 53392 1 . ASP 152 152 53392 1 . GLU 153 153 53392 1 . ASP 154 154 53392 1 . CYS 155 155 53392 1 . VAL 156 156 53392 1 . PRO 157 157 53392 1 . VAL 158 158 53392 1 . ILE 159 159 53392 1 . LEU 160 160 53392 1 . TYR 161 161 53392 1 . GLU 162 162 53392 1 . ARG 163 163 53392 1 . ARG 164 164 53392 1 . GLU 165 165 53392 1 . GLY 166 166 53392 1 . GLU 167 167 53392 1 . VAL 168 168 53392 1 . SER 169 169 53392 1 . ALA 170 170 53392 1 . ASN 171 171 53392 1 . GLN 172 172 53392 1 . ARG 173 173 53392 1 . TRP 174 174 53392 1 . GLU 175 175 53392 1 . LEU 176 176 53392 1 . VAL 177 177 53392 1 . PRO 178 178 53392 1 . PHE 179 179 53392 1 . GLU 180 180 53392 1 . GLY 181 181 53392 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 53392 _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 . 936053 organism . 'Rhizopus delemar' 'Rhizopus delemar' . . Eukaryota Fungi Rhizopus delemar . . . . . . . . . . . . 'Uniprot ID:I1C083' 53392 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 53392 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 53392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53392 _Sample.ID 1 _Sample.Name 'Double Labelled Mucoricin' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15n-13C labeled protein in 20 mM sodium phosphate buffer with 150 mM NaCl (pH 7.5)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mucoricin '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM 0.3 . . . 53392 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 53392 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 53392 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 53392 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '20 mM sodium phosphate buffer with 150 mM NaCl' 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 pH 7.5 . pH 53392 1 pressure 1 . atm 53392 1 temperature 298 2 K 53392 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53392 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53392 1 'data analysis' . 53392 1 'peak picking' . 53392 1 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 53392 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '500 MHz Bruker AVANCE NEO 4-channel NMR spectromete' _NMR_spectrometer.Details ; 500 MHz Bruker AVANCE NEO 4-channel NMR spectrometer, having a 5 mm TCI Cryoprobe, ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 53392 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 2 CBCACONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 3 HCOCONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 4 HCOOONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 5 HNCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 6 HNCACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 7 HNCACO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 8 HNCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53392 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 53392 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details Topspin 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 53392 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS (2,2-dimethylsilapentane-5- sulfonic acid)' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 53392 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53392 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 53392 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 53392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mucoricin _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' . . . 53392 1 2 CBCACONH . . . 53392 1 3 HCOCONH . . . 53392 1 4 HCOOONH . . . 53392 1 5 HNCA . . . 53392 1 6 HNCACB . . . 53392 1 7 HNCACO . . . 53392 1 8 HNCO . . . 53392 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 . . 53392 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 33 33 GLY H H 1 7.97 0.02 . 1 . . . . . 33 GLY H . 53392 1 2 . 1 . 1 33 33 GLY C C 13 173.06 0.3 . 1 . . . . . 33 GLY C . 53392 1 3 . 1 . 1 33 33 GLY CA C 13 43.338 0.3 . 1 . . . . . 33 GLY CA . 53392 1 4 . 1 . 1 33 33 GLY N N 15 116.174 0.3 . 1 . . . . . 33 GLY N . 53392 1 5 . 1 . 1 34 34 SER H H 1 7.964 0.02 . 1 . . . . . 34 SER H . 53392 1 6 . 1 . 1 34 34 SER C C 13 176.083 0.3 . 1 . . . . . 34 SER C . 53392 1 7 . 1 . 1 34 34 SER CA C 13 55.527 0.3 . 1 . . . . . 34 SER CA . 53392 1 8 . 1 . 1 34 34 SER CB C 13 60.917 0.3 . 1 . . . . . 34 SER CB . 53392 1 9 . 1 . 1 34 34 SER N N 15 116.558 0.3 . 1 . . . . . 34 SER N . 53392 1 10 . 1 . 1 35 35 MET H H 1 8.391 0.02 . 1 . . . . . 35 MET H . 53392 1 11 . 1 . 1 35 35 MET C C 13 172.91 0.3 . 1 . . . . . 35 MET C . 53392 1 12 . 1 . 1 35 35 MET CA C 13 52.67 0.3 . 1 . . . . . 35 MET CA . 53392 1 13 . 1 . 1 35 35 MET CB C 13 29.974 0.3 . 1 . . . . . 35 MET CB . 53392 1 14 . 1 . 1 35 35 MET N N 15 122.125 0.3 . 1 . . . . . 35 MET N . 53392 1 15 . 1 . 1 36 36 TYR H H 1 7.868 0.02 . 1 . . . . . 36 TYR H . 53392 1 16 . 1 . 1 36 36 TYR C C 13 175.936 0.3 . 1 . . . . . 36 TYR C . 53392 1 17 . 1 . 1 36 36 TYR CA C 13 54.869 0.3 . 1 . . . . . 36 TYR CA . 53392 1 18 . 1 . 1 36 36 TYR CB C 13 36.015 0.3 . 1 . . . . . 36 TYR CB . 53392 1 19 . 1 . 1 36 36 TYR N N 15 120.049 0.3 . 1 . . . . . 36 TYR N . 53392 1 20 . 1 . 1 37 37 PHE H H 1 7.656 0.02 . 1 . . . . . 37 PHE H . 53392 1 21 . 1 . 1 37 37 PHE C C 13 172.181 0.3 . 1 . . . . . 37 PHE C . 53392 1 22 . 1 . 1 37 37 PHE CA C 13 54.32 0.3 . 1 . . . . . 37 PHE CA . 53392 1 23 . 1 . 1 37 37 PHE CB C 13 37.345 0.3 . 1 . . . . . 37 PHE CB . 53392 1 24 . 1 . 1 37 37 PHE N N 15 120.275 0.3 . 1 . . . . . 37 PHE N . 53392 1 25 . 1 . 1 38 38 GLU H H 1 8.495 0.02 . 1 . . . . . 38 GLU H . 53392 1 26 . 1 . 1 38 38 GLU C C 13 173.468 0.3 . 1 . . . . . 38 GLU C . 53392 1 27 . 1 . 1 38 38 GLU CA C 13 53.985 0.3 . 1 . . . . . 38 GLU CA . 53392 1 28 . 1 . 1 38 38 GLU CB C 13 27.611 0.3 . 1 . . . . . 38 GLU CB . 53392 1 29 . 1 . 1 38 38 GLU N N 15 121.787 0.3 . 1 . . . . . 38 GLU N . 53392 1 30 . 1 . 1 39 39 GLU H H 1 8.588 0.02 . 1 . . . . . 39 GLU H . 53392 1 31 . 1 . 1 39 39 GLU C C 13 174.949 0.3 . 1 . . . . . 39 GLU C . 53392 1 32 . 1 . 1 39 39 GLU CA C 13 55.189 0.3 . 1 . . . . . 39 GLU CA . 53392 1 33 . 1 . 1 39 39 GLU CB C 13 27.01 0.3 . 1 . . . . . 39 GLU CB . 53392 1 34 . 1 . 1 39 39 GLU N N 15 122.785 0.3 . 1 . . . . . 39 GLU N . 53392 1 35 . 1 . 1 40 40 GLY H H 1 8.959 0.02 . 1 . . . . . 40 GLY H . 53392 1 36 . 1 . 1 40 40 GLY C C 13 174.97 0.3 . 1 . . . . . 40 GLY C . 53392 1 37 . 1 . 1 40 40 GLY CA C 13 42.855 0.3 . 1 . . . . . 40 GLY CA . 53392 1 38 . 1 . 1 40 40 GLY N N 15 111.601 0.3 . 1 . . . . . 40 GLY N . 53392 1 39 . 1 . 1 41 41 ARG H H 1 7.534 0.02 . 1 . . . . . 41 ARG H . 53392 1 40 . 1 . 1 41 41 ARG C C 13 172.181 0.3 . 1 . . . . . 41 ARG C . 53392 1 41 . 1 . 1 41 41 ARG CA C 13 52.931 0.3 . 1 . . . . . 41 ARG CA . 53392 1 42 . 1 . 1 41 41 ARG CB C 13 28.126 0.3 . 1 . . . . . 41 ARG CB . 53392 1 43 . 1 . 1 41 41 ARG N N 15 120.37 0.3 . 1 . . . . . 41 ARG N . 53392 1 44 . 1 . 1 42 42 LEU H H 1 8.161 0.02 . 1 . . . . . 42 LEU H . 53392 1 45 . 1 . 1 42 42 LEU C C 13 174.734 0.3 . 1 . . . . . 42 LEU C . 53392 1 46 . 1 . 1 42 42 LEU CA C 13 50.86 0.3 . 1 . . . . . 42 LEU CA . 53392 1 47 . 1 . 1 42 42 LEU CB C 13 41.708 0.3 . 1 . . . . . 42 LEU CB . 53392 1 48 . 1 . 1 42 42 LEU N N 15 121.927 0.3 . 1 . . . . . 42 LEU N . 53392 1 49 . 1 . 1 43 43 PHE H H 1 8.969 0.02 . 1 . . . . . 43 PHE H . 53392 1 50 . 1 . 1 43 43 PHE C C 13 173.103 0.3 . 1 . . . . . 43 PHE C . 53392 1 51 . 1 . 1 43 43 PHE CA C 13 53.475 0.3 . 1 . . . . . 43 PHE CA . 53392 1 52 . 1 . 1 43 43 PHE CB C 13 39.316 0.3 . 1 . . . . . 43 PHE CB . 53392 1 53 . 1 . 1 43 43 PHE N N 15 117.421 0.3 . 1 . . . . . 43 PHE N . 53392 1 54 . 1 . 1 44 44 PHE H H 1 9.437 0.02 . 1 . . . . . 44 PHE H . 53392 1 55 . 1 . 1 44 44 PHE C C 13 173.683 0.3 . 1 . . . . . 44 PHE C . 53392 1 56 . 1 . 1 44 44 PHE CA C 13 54.467 0.3 . 1 . . . . . 44 PHE CA . 53392 1 57 . 1 . 1 44 44 PHE CB C 13 38.774 0.3 . 1 . . . . . 44 PHE CB . 53392 1 58 . 1 . 1 44 44 PHE N N 15 117.347 0.3 . 1 . . . . . 44 PHE N . 53392 1 59 . 1 . 1 45 45 ILE H H 1 9.911 0.02 . 1 . . . . . 45 ILE H . 53392 1 60 . 1 . 1 45 45 ILE C C 13 171.301 0.3 . 1 . . . . . 45 ILE C . 53392 1 61 . 1 . 1 45 45 ILE CA C 13 59.348 0.3 . 1 . . . . . 45 ILE CA . 53392 1 62 . 1 . 1 45 45 ILE CB C 13 33.737 0.3 . 1 . . . . . 45 ILE CB . 53392 1 63 . 1 . 1 45 45 ILE N N 15 124.198 0.3 . 1 . . . . . 45 ILE N . 53392 1 64 . 1 . 1 46 46 LYS H H 1 9.228 0.02 . 1 . . . . . 46 LYS H . 53392 1 65 . 1 . 1 46 46 LYS C C 13 171.172 0.3 . 1 . . . . . 46 LYS C . 53392 1 66 . 1 . 1 46 46 LYS CA C 13 52.644 0.3 . 1 . . . . . 46 LYS CA . 53392 1 67 . 1 . 1 46 46 LYS CB C 13 34.185 0.3 . 1 . . . . . 46 LYS CB . 53392 1 68 . 1 . 1 46 46 LYS N N 15 126.877 0.3 . 1 . . . . . 46 LYS N . 53392 1 69 . 1 . 1 47 47 SER H H 1 9.44 0.02 . 1 . . . . . 47 SER H . 53392 1 70 . 1 . 1 47 47 SER C C 13 173.318 0.3 . 1 . . . . . 47 SER C . 53392 1 71 . 1 . 1 47 47 SER CA C 13 55.681 0.3 . 1 . . . . . 47 SER CA . 53392 1 72 . 1 . 1 47 47 SER CB C 13 60.903 0.3 . 1 . . . . . 47 SER CB . 53392 1 73 . 1 . 1 47 47 SER N N 15 120.589 0.3 . 1 . . . . . 47 SER N . 53392 1 74 . 1 . 1 48 48 GLN H H 1 8.511 0.02 . 1 . . . . . 48 GLN H . 53392 1 75 . 1 . 1 48 48 GLN C C 13 172.824 0.3 . 1 . . . . . 48 GLN C . 53392 1 76 . 1 . 1 48 48 GLN CA C 13 55.513 0.3 . 1 . . . . . 48 GLN CA . 53392 1 77 . 1 . 1 48 48 GLN CB C 13 25.197 0.3 . 1 . . . . . 48 GLN CB . 53392 1 78 . 1 . 1 48 48 GLN N N 15 128.413 0.3 . 1 . . . . . 48 GLN N . 53392 1 79 . 1 . 1 49 49 PHE H H 1 7.991 0.02 . 1 . . . . . 49 PHE H . 53392 1 80 . 1 . 1 49 49 PHE C C 13 172.927 0.3 . 1 . . . . . 49 PHE C . 53392 1 81 . 1 . 1 49 49 PHE CA C 13 54.735 0.3 . 1 . . . . . 49 PHE CA . 53392 1 82 . 1 . 1 49 49 PHE CB C 13 35.588 0.3 . 1 . . . . . 49 PHE CB . 53392 1 83 . 1 . 1 49 49 PHE N N 15 119.764 0.3 . 1 . . . . . 49 PHE N . 53392 1 84 . 1 . 1 50 50 ASN H H 1 6.571 0.02 . 1 . . . . . 50 ASN H . 53392 1 85 . 1 . 1 50 50 ASN C C 13 173.49 0.3 . 1 . . . . . 50 ASN C . 53392 1 86 . 1 . 1 50 50 ASN CA C 13 48.49 0.3 . 1 . . . . . 50 ASN CA . 53392 1 87 . 1 . 1 50 50 ASN CB C 13 36.909 0.3 . 1 . . . . . 50 ASN CB . 53392 1 88 . 1 . 1 50 50 ASN N N 15 110.922 0.3 . 1 . . . . . 50 ASN N . 53392 1 89 . 1 . 1 51 51 GLY H H 1 7.541 0.02 . 1 . . . . . 51 GLY H . 53392 1 90 . 1 . 1 51 51 GLY C C 13 173.618 0.3 . 1 . . . . . 51 GLY C . 53392 1 91 . 1 . 1 51 51 GLY CA C 13 43.553 0.3 . 1 . . . . . 51 GLY CA . 53392 1 92 . 1 . 1 51 51 GLY N N 15 106.293 0.3 . 1 . . . . . 51 GLY N . 53392 1 93 . 1 . 1 52 52 ARG H H 1 7.478 0.02 . 1 . . . . . 52 ARG H . 53392 1 94 . 1 . 1 52 52 ARG C C 13 171.301 0.3 . 1 . . . . . 52 ARG C . 53392 1 95 . 1 . 1 52 52 ARG CA C 13 54.628 0.3 . 1 . . . . . 52 ARG CA . 53392 1 96 . 1 . 1 52 52 ARG CB C 13 28.093 0.3 . 1 . . . . . 52 ARG CB . 53392 1 97 . 1 . 1 52 52 ARG N N 15 119.949 0.3 . 1 . . . . . 52 ARG N . 53392 1 98 . 1 . 1 53 53 VAL H H 1 8.959 0.02 . 1 . . . . . 53 VAL H . 53392 1 99 . 1 . 1 53 53 VAL C C 13 173.356 0.3 . 1 . . . . . 53 VAL C . 53392 1 100 . 1 . 1 53 53 VAL CA C 13 55.352 0.3 . 1 . . . . . 53 VAL CA . 53392 1 101 . 1 . 1 53 53 VAL CB C 13 29.996 0.3 . 1 . . . . . 53 VAL CB . 53392 1 102 . 1 . 1 53 53 VAL N N 15 110.599 0.3 . 1 . . . . . 53 VAL N . 53392 1 103 . 1 . 1 54 54 LEU H H 1 8.65 0.02 . 1 . . . . . 54 LEU H . 53392 1 104 . 1 . 1 54 54 LEU C C 13 174.82 0.3 . 1 . . . . . 54 LEU C . 53392 1 105 . 1 . 1 54 54 LEU CA C 13 53.636 0.3 . 1 . . . . . 54 LEU CA . 53392 1 106 . 1 . 1 54 54 LEU CB C 13 39.839 0.3 . 1 . . . . . 54 LEU CB . 53392 1 107 . 1 . 1 54 54 LEU N N 15 120.662 0.3 . 1 . . . . . 54 LEU N . 53392 1 108 . 1 . 1 55 55 ASP H H 1 9.29 0.02 . 1 . . . . . 55 ASP H . 53392 1 109 . 1 . 1 55 55 ASP C C 13 170.915 0.3 . 1 . . . . . 55 ASP C . 53392 1 110 . 1 . 1 55 55 ASP CA C 13 48.715 0.3 . 1 . . . . . 55 ASP CA . 53392 1 111 . 1 . 1 55 55 ASP CB C 13 43.035 0.3 . 1 . . . . . 55 ASP CB . 53392 1 112 . 1 . 1 55 55 ASP N N 15 125.784 0.3 . 1 . . . . . 55 ASP N . 53392 1 113 . 1 . 1 56 56 VAL H H 1 9.747 0.02 . 1 . . . . . 56 VAL H . 53392 1 114 . 1 . 1 56 56 VAL C C 13 174.777 0.3 . 1 . . . . . 56 VAL C . 53392 1 115 . 1 . 1 56 56 VAL CA C 13 58.302 0.3 . 1 . . . . . 56 VAL CA . 53392 1 116 . 1 . 1 56 56 VAL CB C 13 31.283 0.3 . 1 . . . . . 56 VAL CB . 53392 1 117 . 1 . 1 56 56 VAL N N 15 121.915 0.3 . 1 . . . . . 56 VAL N . 53392 1 118 . 1 . 1 57 57 GLU H H 1 8.907 0.02 . 1 . . . . . 57 GLU H . 53392 1 119 . 1 . 1 57 57 GLU C C 13 174.713 0.3 . 1 . . . . . 57 GLU C . 53392 1 120 . 1 . 1 57 57 GLU CA C 13 56.318 0.3 . 1 . . . . . 57 GLU CA . 53392 1 121 . 1 . 1 57 57 GLU CB C 13 27.128 0.3 . 1 . . . . . 57 GLU CB . 53392 1 122 . 1 . 1 57 57 GLU N N 15 130.924 0.3 . 1 . . . . . 57 GLU N . 53392 1 123 . 1 . 1 58 58 ASP H H 1 9.399 0.02 . 1 . . . . . 58 ASP H . 53392 1 124 . 1 . 1 58 58 ASP C C 13 173.189 0.3 . 1 . . . . . 58 ASP C . 53392 1 125 . 1 . 1 58 58 ASP CA C 13 53.29 0.3 . 1 . . . . . 58 ASP CA . 53392 1 126 . 1 . 1 58 58 ASP CB C 13 37.39 0.3 . 1 . . . . . 58 ASP CB . 53392 1 127 . 1 . 1 58 58 ASP N N 15 124.043 0.3 . 1 . . . . . 58 ASP N . 53392 1 128 . 1 . 1 59 59 GLY H H 1 8.59 0.02 . 1 . . . . . 59 GLY H . 53392 1 129 . 1 . 1 59 59 GLY C C 13 173.26 0.3 . 1 . . . . . 59 GLY C . 53392 1 130 . 1 . 1 59 59 GLY CA C 13 43.874 0.3 . 1 . . . . . 59 GLY CA . 53392 1 131 . 1 . 1 59 59 GLY N N 15 108.745 0.3 . 1 . . . . . 59 GLY N . 53392 1 132 . 1 . 1 60 60 SER H H 1 6.77 0.02 . 1 . . . . . 60 SER H . 53392 1 133 . 1 . 1 60 60 SER C C 13 173.232 0.3 . 1 . . . . . 60 SER C . 53392 1 134 . 1 . 1 60 60 SER CA C 13 55.149 0.3 . 1 . . . . . 60 SER CA . 53392 1 135 . 1 . 1 60 60 SER CB C 13 60.856 0.3 . 1 . . . . . 60 SER CB . 53392 1 136 . 1 . 1 60 60 SER N N 15 109.48 0.3 . 1 . . . . . 60 SER N . 53392 1 137 . 1 . 1 61 61 THR H H 1 8.593 0.02 . 1 . . . . . 61 THR H . 53392 1 138 . 1 . 1 61 61 THR C C 13 171.258 0.3 . 1 . . . . . 61 THR C . 53392 1 139 . 1 . 1 61 61 THR CA C 13 58.017 0.3 . 1 . . . . . 61 THR CA . 53392 1 140 . 1 . 1 61 61 THR CB C 13 65.02 0.3 . 1 . . . . . 61 THR CB . 53392 1 141 . 1 . 1 61 61 THR N N 15 115.065 0.3 . 1 . . . . . 61 THR N . 53392 1 142 . 1 . 1 62 62 GLU H H 1 8.248 0.02 . 1 . . . . . 62 GLU H . 53392 1 143 . 1 . 1 62 62 GLU C C 13 174.884 0.3 . 1 . . . . . 62 GLU C . 53392 1 144 . 1 . 1 62 62 GLU CA C 13 52.724 0.3 . 1 . . . . . 62 GLU CA . 53392 1 145 . 1 . 1 62 62 GLU CB C 13 28.915 0.3 . 1 . . . . . 62 GLU CB . 53392 1 146 . 1 . 1 62 62 GLU N N 15 119.386 0.3 . 1 . . . . . 62 GLU N . 53392 1 147 . 1 . 1 63 63 ASP H H 1 8.656 0.02 . 1 . . . . . 63 ASP H . 53392 1 148 . 1 . 1 63 63 ASP C C 13 174.949 0.3 . 1 . . . . . 63 ASP C . 53392 1 149 . 1 . 1 63 63 ASP CA C 13 53.502 0.3 . 1 . . . . . 63 ASP CA . 53392 1 150 . 1 . 1 63 63 ASP CB C 13 38.373 0.3 . 1 . . . . . 63 ASP CB . 53392 1 151 . 1 . 1 63 63 ASP N N 15 120.267 0.3 . 1 . . . . . 63 ASP N . 53392 1 152 . 1 . 1 64 64 ASP H H 1 9.291 0.02 . 1 . . . . . 64 ASP H . 53392 1 153 . 1 . 1 64 64 ASP C C 13 171.566 0.3 . 1 . . . . . 64 ASP C . 53392 1 154 . 1 . 1 64 64 ASP CA C 13 53.395 0.3 . 1 . . . . . 64 ASP CA . 53392 1 155 . 1 . 1 64 64 ASP CB C 13 38.78 0.3 . 1 . . . . . 64 ASP CB . 53392 1 156 . 1 . 1 64 64 ASP N N 15 116.062 0.3 . 1 . . . . . 64 ASP N . 53392 1 157 . 1 . 1 65 65 ALA H H 1 6.874 0.02 . 1 . . . . . 65 ALA H . 53392 1 158 . 1 . 1 65 65 ALA C C 13 173.747 0.3 . 1 . . . . . 65 ALA C . 53392 1 159 . 1 . 1 65 65 ALA CA C 13 49.265 0.3 . 1 . . . . . 65 ALA CA . 53392 1 160 . 1 . 1 65 65 ALA CB C 13 16.821 0.3 . 1 . . . . . 65 ALA CB . 53392 1 161 . 1 . 1 65 65 ALA N N 15 120.104 0.3 . 1 . . . . . 65 ALA N . 53392 1 162 . 1 . 1 66 66 ASN H H 1 8.597 0.02 . 1 . . . . . 66 ASN H . 53392 1 163 . 1 . 1 66 66 ASN C C 13 175.784 0.3 . 1 . . . . . 66 ASN C . 53392 1 164 . 1 . 1 66 66 ASN CA C 13 51.571 0.3 . 1 . . . . . 66 ASN CA . 53392 1 165 . 1 . 1 66 66 ASN CB C 13 35.527 0.3 . 1 . . . . . 66 ASN CB . 53392 1 166 . 1 . 1 66 66 ASN N N 15 118.063 0.3 . 1 . . . . . 66 ASN N . 53392 1 167 . 1 . 1 67 67 ILE H H 1 7.992 0.02 . 1 . . . . . 67 ILE H . 53392 1 168 . 1 . 1 67 67 ILE C C 13 171.43 0.3 . 1 . . . . . 67 ILE C . 53392 1 169 . 1 . 1 67 67 ILE CA C 13 55.057 0.3 . 1 . . . . . 67 ILE CA . 53392 1 170 . 1 . 1 67 67 ILE CB C 13 35.579 0.3 . 1 . . . . . 67 ILE CB . 53392 1 171 . 1 . 1 67 67 ILE N N 15 121.237 0.3 . 1 . . . . . 67 ILE N . 53392 1 172 . 1 . 1 68 68 ILE H H 1 8.266 0.02 . 1 . . . . . 68 ILE H . 53392 1 173 . 1 . 1 68 68 ILE C C 13 172.846 0.3 . 1 . . . . . 68 ILE C . 53392 1 174 . 1 . 1 68 68 ILE CA C 13 56.13 0.3 . 1 . . . . . 68 ILE CA . 53392 1 175 . 1 . 1 68 68 ILE CB C 13 31.282 0.3 . 1 . . . . . 68 ILE CB . 53392 1 176 . 1 . 1 68 68 ILE N N 15 120.09 0.3 . 1 . . . . . 68 ILE N . 53392 1 177 . 1 . 1 69 69 VAL H H 1 7.846 0.02 . 1 . . . . . 69 VAL H . 53392 1 178 . 1 . 1 69 69 VAL C C 13 173.897 0.3 . 1 . . . . . 69 VAL C . 53392 1 179 . 1 . 1 69 69 VAL CA C 13 56.452 0.3 . 1 . . . . . 69 VAL CA . 53392 1 180 . 1 . 1 69 69 VAL CB C 13 31.392 0.3 . 1 . . . . . 69 VAL CB . 53392 1 181 . 1 . 1 69 69 VAL N N 15 107.287 0.3 . 1 . . . . . 69 VAL N . 53392 1 182 . 1 . 1 70 70 TYR H H 1 9.354 0.02 . 1 . . . . . 70 TYR H . 53392 1 183 . 1 . 1 70 70 TYR C C 13 170.443 0.3 . 1 . . . . . 70 TYR C . 53392 1 184 . 1 . 1 70 70 TYR CA C 13 54.896 0.3 . 1 . . . . . 70 TYR CA . 53392 1 185 . 1 . 1 70 70 TYR CB C 13 42.655 0.3 . 1 . . . . . 70 TYR CB . 53392 1 186 . 1 . 1 70 70 TYR N N 15 123.366 0.3 . 1 . . . . . 70 TYR N . 53392 1 187 . 1 . 1 71 71 THR H H 1 7.053 0.02 . 1 . . . . . 71 THR H . 53392 1 188 . 1 . 1 71 71 THR C C 13 175.867 0.3 . 1 . . . . . 71 THR C . 53392 1 189 . 1 . 1 71 71 THR CA C 13 42.414 0.3 . 1 . . . . . 71 THR CA . 53392 1 190 . 1 . 1 71 71 THR CB C 13 66.926 0.3 . 1 . . . . . 71 THR CB . 53392 1 191 . 1 . 1 71 71 THR N N 15 123.757 0.3 . 1 . . . . . 71 THR N . 53392 1 192 . 1 . 1 72 72 GLN H H 1 8.894 0.02 . 1 . . . . . 72 GLN H . 53392 1 193 . 1 . 1 72 72 GLN C C 13 172.503 0.3 . 1 . . . . . 72 GLN C . 53392 1 194 . 1 . 1 72 72 GLN CA C 13 54.282 0.3 . 1 . . . . . 72 GLN CA . 53392 1 195 . 1 . 1 72 72 GLN CB C 13 25.601 0.3 . 1 . . . . . 72 GLN CB . 53392 1 196 . 1 . 1 72 72 GLN N N 15 128.855 0.3 . 1 . . . . . 72 GLN N . 53392 1 197 . 1 . 1 73 73 LYS H H 1 9.622 0.02 . 1 . . . . . 73 LYS H . 53392 1 198 . 1 . 1 73 73 LYS C C 13 171.43 0.3 . 1 . . . . . 73 LYS C . 53392 1 199 . 1 . 1 73 73 LYS CA C 13 52.563 0.3 . 1 . . . . . 73 LYS CA . 53392 1 200 . 1 . 1 73 73 LYS CB C 13 32.729 0.3 . 1 . . . . . 73 LYS CB . 53392 1 201 . 1 . 1 73 73 LYS N N 15 130.133 0.3 . 1 . . . . . 73 LYS N . 53392 1 202 . 1 . 1 74 74 TYR H H 1 8.213 0.02 . 1 . . . . . 74 TYR H . 53392 1 203 . 1 . 1 74 74 TYR C C 13 172.996 0.3 . 1 . . . . . 74 TYR C . 53392 1 204 . 1 . 1 74 74 TYR CA C 13 55.808 0.3 . 1 . . . . . 74 TYR CA . 53392 1 205 . 1 . 1 74 74 TYR CB C 13 36.909 0.3 . 1 . . . . . 74 TYR CB . 53392 1 206 . 1 . 1 74 74 TYR N N 15 113.52 0.3 . 1 . . . . . 74 TYR N . 53392 1 207 . 1 . 1 75 75 GLU H H 1 7.539 0.02 . 1 . . . . . 75 GLU H . 53392 1 208 . 1 . 1 75 75 GLU C C 13 171.88 0.3 . 1 . . . . . 75 GLU C . 53392 1 209 . 1 . 1 75 75 GLU CA C 13 51.92 0.3 . 1 . . . . . 75 GLU CA . 53392 1 210 . 1 . 1 75 75 GLU CB C 13 29.281 0.3 . 1 . . . . . 75 GLU CB . 53392 1 211 . 1 . 1 75 75 GLU N N 15 116.866 0.3 . 1 . . . . . 75 GLU N . 53392 1 212 . 1 . 1 76 76 ASP H H 1 8.963 0.02 . 1 . . . . . 76 ASP H . 53392 1 213 . 1 . 1 76 76 ASP C C 13 173.11 0.3 . 1 . . . . . 76 ASP C . 53392 1 214 . 1 . 1 76 76 ASP CA C 13 51.92 0.3 . 1 . . . . . 76 ASP CA . 53392 1 215 . 1 . 1 76 76 ASP CB C 13 36.578 0.3 . 1 . . . . . 76 ASP CB . 53392 1 216 . 1 . 1 76 76 ASP N N 15 121.864 0.3 . 1 . . . . . 76 ASP N . 53392 1 217 . 1 . 1 77 77 CYS H H 1 8.062 0.02 . 1 . . . . . 77 CYS H . 53392 1 218 . 1 . 1 77 77 CYS C C 13 172.91 0.3 . 1 . . . . . 77 CYS C . 53392 1 219 . 1 . 1 77 77 CYS CA C 13 53.153 0.3 . 1 . . . . . 77 CYS CA . 53392 1 220 . 1 . 1 77 77 CYS CB C 13 27.208 0.3 . 1 . . . . . 77 CYS CB . 53392 1 221 . 1 . 1 77 77 CYS N N 15 112.276 0.3 . 1 . . . . . 77 CYS N . 53392 1 222 . 1 . 1 78 78 LEU H H 1 8.173 0.02 . 1 . . . . . 78 LEU H . 53392 1 223 . 1 . 1 78 78 LEU C C 13 173.962 0.3 . 1 . . . . . 78 LEU C . 53392 1 224 . 1 . 1 78 78 LEU CA C 13 55.459 0.3 . 1 . . . . . 78 LEU CA . 53392 1 225 . 1 . 1 78 78 LEU CB C 13 38.793 0.3 . 1 . . . . . 78 LEU CB . 53392 1 226 . 1 . 1 78 78 LEU N N 15 122.786 0.3 . 1 . . . . . 78 LEU N . 53392 1 227 . 1 . 1 79 79 ASN H H 1 8.223 0.02 . 1 . . . . . 79 ASN H . 53392 1 228 . 1 . 1 79 79 ASN C C 13 171.43 0.3 . 1 . . . . . 79 ASN C . 53392 1 229 . 1 . 1 79 79 ASN CA C 13 51.759 0.3 . 1 . . . . . 79 ASN CA . 53392 1 230 . 1 . 1 79 79 ASN CB C 13 34.512 0.3 . 1 . . . . . 79 ASN CB . 53392 1 231 . 1 . 1 79 79 ASN N N 15 108.226 0.3 . 1 . . . . . 79 ASN N . 53392 1 232 . 1 . 1 80 80 GLN H H 1 7.193 0.02 . 1 . . . . . 80 GLN H . 53392 1 233 . 1 . 1 80 80 GLN C C 13 171.086 0.3 . 1 . . . . . 80 GLN C . 53392 1 234 . 1 . 1 80 80 GLN CA C 13 51.785 0.3 . 1 . . . . . 80 GLN CA . 53392 1 235 . 1 . 1 80 80 GLN CB C 13 26.182 0.3 . 1 . . . . . 80 GLN CB . 53392 1 236 . 1 . 1 80 80 GLN N N 15 113.432 0.3 . 1 . . . . . 80 GLN N . 53392 1 237 . 1 . 1 81 81 LEU H H 1 6.767 0.02 . 1 . . . . . 81 LEU H . 53392 1 238 . 1 . 1 81 81 LEU C C 13 171.966 0.3 . 1 . . . . . 81 LEU C . 53392 1 239 . 1 . 1 81 81 LEU CA C 13 49.56 0.3 . 1 . . . . . 81 LEU CA . 53392 1 240 . 1 . 1 81 81 LEU CB C 13 41.937 0.3 . 1 . . . . . 81 LEU CB . 53392 1 241 . 1 . 1 81 81 LEU N N 15 118.407 0.3 . 1 . . . . . 81 LEU N . 53392 1 242 . 1 . 1 82 82 TRP H H 1 8.536 0.02 . 1 . . . . . 82 TRP H . 53392 1 243 . 1 . 1 82 82 TRP C C 13 171.644 0.3 . 1 . . . . . 82 TRP C . 53392 1 244 . 1 . 1 82 82 TRP CA C 13 52.375 0.3 . 1 . . . . . 82 TRP CA . 53392 1 245 . 1 . 1 82 82 TRP CB C 13 29.944 0.3 . 1 . . . . . 82 TRP CB . 53392 1 246 . 1 . 1 82 82 TRP N N 15 118.435 0.3 . 1 . . . . . 82 TRP N . 53392 1 247 . 1 . 1 83 83 ARG H H 1 8.838 0.02 . 1 . . . . . 83 ARG H . 53392 1 248 . 1 . 1 83 83 ARG C C 13 172.46 0.3 . 1 . . . . . 83 ARG C . 53392 1 249 . 1 . 1 83 83 ARG CA C 13 51.383 0.3 . 1 . . . . . 83 ARG CA . 53392 1 250 . 1 . 1 83 83 ARG CB C 13 30.784 0.3 . 1 . . . . . 83 ARG CB . 53392 1 251 . 1 . 1 83 83 ARG N N 15 116.487 0.3 . 1 . . . . . 83 ARG N . 53392 1 252 . 1 . 1 84 84 TYR H H 1 9.115 0.02 . 1 . . . . . 84 TYR H . 53392 1 253 . 1 . 1 84 84 TYR C C 13 172.567 0.3 . 1 . . . . . 84 TYR C . 53392 1 254 . 1 . 1 84 84 TYR CA C 13 52.054 0.3 . 1 . . . . . 84 TYR CA . 53392 1 255 . 1 . 1 84 84 TYR CB C 13 37.345 0.3 . 1 . . . . . 84 TYR CB . 53392 1 256 . 1 . 1 84 84 TYR N N 15 122.768 0.3 . 1 . . . . . 84 TYR N . 53392 1 257 . 1 . 1 85 85 GLU H H 1 8.381 0.02 . 1 . . . . . 85 GLU H . 53392 1 258 . 1 . 1 85 85 GLU C C 13 173.082 0.3 . 1 . . . . . 85 GLU C . 53392 1 259 . 1 . 1 85 85 GLU CA C 13 52.134 0.3 . 1 . . . . . 85 GLU CA . 53392 1 260 . 1 . 1 85 85 GLU CB C 13 29.944 0.3 . 1 . . . . . 85 GLU CB . 53392 1 261 . 1 . 1 85 85 GLU N N 15 125.72 0.3 . 1 . . . . . 85 GLU N . 53392 1 262 . 1 . 1 86 86 ASN H H 1 9.266 0.02 . 1 . . . . . 86 ASN H . 53392 1 263 . 1 . 1 86 86 ASN C C 13 171.001 0.3 . 1 . . . . . 86 ASN C . 53392 1 264 . 1 . 1 86 86 ASN CA C 13 51.115 0.3 . 1 . . . . . 86 ASN CA . 53392 1 265 . 1 . 1 86 86 ASN CB C 13 34.894 0.3 . 1 . . . . . 86 ASN CB . 53392 1 266 . 1 . 1 86 86 ASN N N 15 124.857 0.3 . 1 . . . . . 86 ASN N . 53392 1 267 . 1 . 1 87 87 GLY H H 1 6.769 0.02 . 1 . . . . . 87 GLY H . 53392 1 268 . 1 . 1 87 87 GLY C C 13 169.027 0.3 . 1 . . . . . 87 GLY C . 53392 1 269 . 1 . 1 87 87 GLY CA C 13 42.115 0.3 . 1 . . . . . 87 GLY CA . 53392 1 270 . 1 . 1 87 87 GLY N N 15 101.742 0.3 . 1 . . . . . 87 GLY N . 53392 1 271 . 1 . 1 88 88 TYR H H 1 7.547 0.02 . 1 . . . . . 88 TYR H . 53392 1 272 . 1 . 1 88 88 TYR C C 13 173.189 0.3 . 1 . . . . . 88 TYR C . 53392 1 273 . 1 . 1 88 88 TYR CA C 13 54.092 0.3 . 1 . . . . . 88 TYR CA . 53392 1 274 . 1 . 1 88 88 TYR CB C 13 36.085 0.3 . 1 . . . . . 88 TYR CB . 53392 1 275 . 1 . 1 88 88 TYR N N 15 117.22 0.3 . 1 . . . . . 88 TYR N . 53392 1 276 . 1 . 1 89 89 PHE H H 1 8.919 0.02 . 1 . . . . . 89 PHE H . 53392 1 277 . 1 . 1 89 89 PHE C C 13 172.953 0.3 . 1 . . . . . 89 PHE C . 53392 1 278 . 1 . 1 89 89 PHE CA C 13 55.352 0.3 . 1 . . . . . 89 PHE CA . 53392 1 279 . 1 . 1 89 89 PHE CB C 13 38.384 0.3 . 1 . . . . . 89 PHE CB . 53392 1 280 . 1 . 1 89 89 PHE N N 15 121.359 0.3 . 1 . . . . . 89 PHE N . 53392 1 281 . 1 . 1 90 90 ILE H H 1 9.266 0.02 . 1 . . . . . 90 ILE H . 53392 1 282 . 1 . 1 90 90 ILE C C 13 173.06 0.3 . 1 . . . . . 90 ILE C . 53392 1 283 . 1 . 1 90 90 ILE CA C 13 57.596 0.3 . 1 . . . . . 90 ILE CA . 53392 1 284 . 1 . 1 90 90 ILE CB C 13 38.311 0.3 . 1 . . . . . 90 ILE CB . 53392 1 285 . 1 . 1 90 90 ILE N N 15 122.456 0.3 . 1 . . . . . 90 ILE N . 53392 1 286 . 1 . 1 91 91 ASN H H 1 9.163 0.02 . 1 . . . . . 91 ASN H . 53392 1 287 . 1 . 1 91 91 ASN C C 13 174.283 0.3 . 1 . . . . . 91 ASN C . 53392 1 288 . 1 . 1 91 91 ASN CA C 13 52.67 0.3 . 1 . . . . . 91 ASN CA . 53392 1 289 . 1 . 1 91 91 ASN CB C 13 37.104 0.3 . 1 . . . . . 91 ASN CB . 53392 1 290 . 1 . 1 91 91 ASN N N 15 127.686 0.3 . 1 . . . . . 91 ASN N . 53392 1 291 . 1 . 1 92 92 ALA H H 1 9.061 0.02 . 1 . . . . . 92 ALA H . 53392 1 292 . 1 . 1 92 92 ALA C C 13 175.013 0.3 . 1 . . . . . 92 ALA C . 53392 1 293 . 1 . 1 92 92 ALA CA C 13 51.582 0.3 . 1 . . . . . 92 ALA CA . 53392 1 294 . 1 . 1 92 92 ALA CB C 13 16.428 0.3 . 1 . . . . . 92 ALA CB . 53392 1 295 . 1 . 1 92 92 ALA N N 15 129.61 0.3 . 1 . . . . . 92 ALA N . 53392 1 296 . 1 . 1 93 93 LYS H H 1 6.957 0.02 . 1 . . . . . 93 LYS H . 53392 1 297 . 1 . 1 93 93 LYS C C 13 175.056 0.3 . 1 . . . . . 93 LYS C . 53392 1 298 . 1 . 1 93 93 LYS CA C 13 54.924 0.3 . 1 . . . . . 93 LYS CA . 53392 1 299 . 1 . 1 93 93 LYS CB C 13 29.088 0.3 . 1 . . . . . 93 LYS CB . 53392 1 300 . 1 . 1 93 93 LYS N N 15 116.276 0.3 . 1 . . . . . 93 LYS N . 53392 1 301 . 1 . 1 94 94 SER H H 1 8.426 0.02 . 1 . . . . . 94 SER H . 53392 1 302 . 1 . 1 94 94 SER C C 13 171.795 0.3 . 1 . . . . . 94 SER C . 53392 1 303 . 1 . 1 94 94 SER CA C 13 55.835 0.3 . 1 . . . . . 94 SER CA . 53392 1 304 . 1 . 1 94 94 SER CB C 13 62.768 0.3 . 1 . . . . . 94 SER CB . 53392 1 305 . 1 . 1 94 94 SER N N 15 111.617 0.3 . 1 . . . . . 94 SER N . 53392 1 306 . 1 . 1 95 95 ALA H H 1 7.946 0.02 . 1 . . . . . 95 ALA H . 53392 1 307 . 1 . 1 95 95 ALA C C 13 172.803 0.3 . 1 . . . . . 95 ALA C . 53392 1 308 . 1 . 1 95 95 ALA CA C 13 51.33 0.3 . 1 . . . . . 95 ALA CA . 53392 1 309 . 1 . 1 95 95 ALA CB C 13 13.974 0.3 . 1 . . . . . 95 ALA CB . 53392 1 310 . 1 . 1 95 95 ALA N N 15 120.711 0.3 . 1 . . . . . 95 ALA N . 53392 1 311 . 1 . 1 96 96 LYS H H 1 7.56 0.02 . 1 . . . . . 96 LYS H . 53392 1 312 . 1 . 1 96 96 LYS C C 13 171.28 0.3 . 1 . . . . . 96 LYS C . 53392 1 313 . 1 . 1 96 96 LYS CA C 13 52.241 0.3 . 1 . . . . . 96 LYS CA . 53392 1 314 . 1 . 1 96 96 LYS CB C 13 31.298 0.3 . 1 . . . . . 96 LYS CB . 53392 1 315 . 1 . 1 96 96 LYS N N 15 118.922 0.3 . 1 . . . . . 96 LYS N . 53392 1 316 . 1 . 1 97 97 VAL H H 1 8.792 0.02 . 1 . . . . . 97 VAL H . 53392 1 317 . 1 . 1 97 97 VAL C C 13 173.683 0.3 . 1 . . . . . 97 VAL C . 53392 1 318 . 1 . 1 97 97 VAL CA C 13 55.66 0.3 . 1 . . . . . 97 VAL CA . 53392 1 319 . 1 . 1 97 97 VAL CB C 13 29.863 0.3 . 1 . . . . . 97 VAL CB . 53392 1 320 . 1 . 1 97 97 VAL N N 15 111.46 0.3 . 1 . . . . . 97 VAL N . 53392 1 321 . 1 . 1 98 98 LEU H H 1 8.043 0.02 . 1 . . . . . 98 LEU H . 53392 1 322 . 1 . 1 98 98 LEU C C 13 174.09 0.3 . 1 . . . . . 98 LEU C . 53392 1 323 . 1 . 1 98 98 LEU CA C 13 53.475 0.3 . 1 . . . . . 98 LEU CA . 53392 1 324 . 1 . 1 98 98 LEU CB C 13 39.756 0.3 . 1 . . . . . 98 LEU CB . 53392 1 325 . 1 . 1 98 98 LEU N N 15 119.803 0.3 . 1 . . . . . 98 LEU N . 53392 1 326 . 1 . 1 99 99 ASP H H 1 9.208 0.02 . 1 . . . . . 99 ASP H . 53392 1 327 . 1 . 1 99 99 ASP C C 13 171.35 0.3 . 1 . . . . . 99 ASP C . 53392 1 328 . 1 . 1 99 99 ASP CA C 13 49.318 0.3 . 1 . . . . . 99 ASP CA . 53392 1 329 . 1 . 1 99 99 ASP CB C 13 42.647 0.3 . 1 . . . . . 99 ASP CB . 53392 1 330 . 1 . 1 99 99 ASP N N 15 126.064 0.3 . 1 . . . . . 99 ASP N . 53392 1 331 . 1 . 1 100 100 ILE H H 1 10.448 0.02 . 1 . . . . . 100 ILE H . 53392 1 332 . 1 . 1 100 100 ILE C C 13 174.756 0.3 . 1 . . . . . 100 ILE C . 53392 1 333 . 1 . 1 100 100 ILE CA C 13 57.685 0.3 . 1 . . . . . 100 ILE CA . 53392 1 334 . 1 . 1 100 100 ILE CB C 13 39.431 0.3 . 1 . . . . . 100 ILE CB . 53392 1 335 . 1 . 1 100 100 ILE N N 15 120.748 0.3 . 1 . . . . . 100 ILE N . 53392 1 336 . 1 . 1 101 101 ARG H H 1 9.097 0.02 . 1 . . . . . 101 ARG H . 53392 1 337 . 1 . 1 101 101 ARG C C 13 175.077 0.3 . 1 . . . . . 101 ARG C . 53392 1 338 . 1 . 1 101 101 ARG CA C 13 56.344 0.3 . 1 . . . . . 101 ARG CA . 53392 1 339 . 1 . 1 101 101 ARG CB C 13 26.581 0.3 . 1 . . . . . 101 ARG CB . 53392 1 340 . 1 . 1 101 101 ARG N N 15 130.151 0.3 . 1 . . . . . 101 ARG N . 53392 1 341 . 1 . 1 102 102 GLY H H 1 9.148 0.02 . 1 . . . . . 102 GLY H . 53392 1 342 . 1 . 1 102 102 GLY C C 13 175.142 0.3 . 1 . . . . . 102 GLY C . 53392 1 343 . 1 . 1 102 102 GLY CA C 13 42.507 0.3 . 1 . . . . . 102 GLY CA . 53392 1 344 . 1 . 1 102 102 GLY N N 15 118.231 0.3 . 1 . . . . . 102 GLY N . 53392 1 345 . 1 . 1 103 103 GLY H H 1 7.828 0.02 . 1 . . . . . 103 GLY H . 53392 1 346 . 1 . 1 103 103 GLY C C 13 172.417 0.3 . 1 . . . . . 103 GLY C . 53392 1 347 . 1 . 1 103 103 GLY CA C 13 43.74 0.3 . 1 . . . . . 103 GLY CA . 53392 1 348 . 1 . 1 103 103 GLY N N 15 105.583 0.3 . 1 . . . . . 103 GLY N . 53392 1 349 . 1 . 1 104 104 GLU H H 1 7.712 0.02 . 1 . . . . . 104 GLU H . 53392 1 350 . 1 . 1 104 104 GLU C C 13 173.168 0.3 . 1 . . . . . 104 GLU C . 53392 1 351 . 1 . 1 104 104 GLU CA C 13 51.468 0.3 . 1 . . . . . 104 GLU CA . 53392 1 352 . 1 . 1 104 104 GLU CB C 13 28.939 0.3 . 1 . . . . . 104 GLU CB . 53392 1 353 . 1 . 1 104 104 GLU N N 15 117.945 0.3 . 1 . . . . . 104 GLU N . 53392 1 354 . 1 . 1 105 105 MET H H 1 8.709 0.02 . 1 . . . . . 105 MET H . 53392 1 355 . 1 . 1 105 105 MET C C 13 170.7 0.3 . 1 . . . . . 105 MET C . 53392 1 356 . 1 . 1 105 105 MET CA C 13 52.031 0.3 . 1 . . . . . 105 MET CA . 53392 1 357 . 1 . 1 105 105 MET CB C 13 27.638 0.3 . 1 . . . . . 105 MET CB . 53392 1 358 . 1 . 1 105 105 MET N N 15 123.905 0.3 . 1 . . . . . 105 MET N . 53392 1 359 . 1 . 1 106 106 GLN H H 1 7.168 0.02 . 1 . . . . . 106 GLN H . 53392 1 360 . 1 . 1 106 106 GLN C C 13 173.424 0.3 . 1 . . . . . 106 GLN C . 53392 1 361 . 1 . 1 106 106 GLN CA C 13 49.099 0.3 . 1 . . . . . 106 GLN CA . 53392 1 362 . 1 . 1 106 106 GLN CB C 13 27.538 0.3 . 1 . . . . . 106 GLN CB . 53392 1 363 . 1 . 1 106 106 GLN N N 15 121.774 0.3 . 1 . . . . . 106 GLN N . 53392 1 364 . 1 . 1 108 108 GLU H H 1 9.51 0.02 . 1 . . . . . 108 GLU H . 53392 1 365 . 1 . 1 108 108 GLU C C 13 173.06 0.3 . 1 . . . . . 108 GLU C . 53392 1 366 . 1 . 1 108 108 GLU CA C 13 60.85 0.3 . 1 . . . . . 108 GLU CA . 53392 1 367 . 1 . 1 108 108 GLU CB C 13 24.232 0.3 . 1 . . . . . 108 GLU CB . 53392 1 368 . 1 . 1 108 108 GLU N N 15 113.566 0.3 . 1 . . . . . 108 GLU N . 53392 1 369 . 1 . 1 109 109 SER H H 1 7.426 0.02 . 1 . . . . . 109 SER H . 53392 1 370 . 1 . 1 109 109 SER C C 13 169.821 0.3 . 1 . . . . . 109 SER C . 53392 1 371 . 1 . 1 109 109 SER CA C 13 57.101 0.3 . 1 . . . . . 109 SER CA . 53392 1 372 . 1 . 1 109 109 SER CB C 13 61.883 0.3 . 1 . . . . . 109 SER CB . 53392 1 373 . 1 . 1 109 109 SER N N 15 115.286 0.3 . 1 . . . . . 109 SER N . 53392 1 374 . 1 . 1 110 110 GLN H H 1 8.886 0.02 . 1 . . . . . 110 GLN H . 53392 1 375 . 1 . 1 110 110 GLN C C 13 171.709 0.3 . 1 . . . . . 110 GLN C . 53392 1 376 . 1 . 1 110 110 GLN CA C 13 53.475 0.3 . 1 . . . . . 110 GLN CA . 53392 1 377 . 1 . 1 110 110 GLN CB C 13 27.556 0.3 . 1 . . . . . 110 GLN CB . 53392 1 378 . 1 . 1 110 110 GLN N N 15 123.765 0.3 . 1 . . . . . 110 GLN N . 53392 1 379 . 1 . 1 111 111 ILE H H 1 8.085 0.02 . 1 . . . . . 111 ILE H . 53392 1 380 . 1 . 1 111 111 ILE C C 13 173.318 0.3 . 1 . . . . . 111 ILE C . 53392 1 381 . 1 . 1 111 111 ILE CA C 13 55.835 0.3 . 1 . . . . . 111 ILE CA . 53392 1 382 . 1 . 1 111 111 ILE CB C 13 31.315 0.3 . 1 . . . . . 111 ILE CB . 53392 1 383 . 1 . 1 111 111 ILE N N 15 126.379 0.3 . 1 . . . . . 111 ILE N . 53392 1 384 . 1 . 1 112 112 ILE H H 1 8.56 0.02 . 1 . . . . . 112 ILE H . 53392 1 385 . 1 . 1 112 112 ILE C C 13 173.468 0.3 . 1 . . . . . 112 ILE C . 53392 1 386 . 1 . 1 112 112 ILE CA C 13 57.567 0.3 . 1 . . . . . 112 ILE CA . 53392 1 387 . 1 . 1 112 112 ILE CB C 13 40.839 0.3 . 1 . . . . . 112 ILE CB . 53392 1 388 . 1 . 1 112 112 ILE N N 15 121.821 0.3 . 1 . . . . . 112 ILE N . 53392 1 389 . 1 . 1 113 113 GLN H H 1 7.773 0.02 . 1 . . . . . 113 GLN H . 53392 1 390 . 1 . 1 113 113 GLN C C 13 173.06 0.3 . 1 . . . . . 113 GLN C . 53392 1 391 . 1 . 1 113 113 GLN CA C 13 49.574 0.3 . 1 . . . . . 113 GLN CA . 53392 1 392 . 1 . 1 113 113 GLN CB C 13 26.634 0.3 . 1 . . . . . 113 GLN CB . 53392 1 393 . 1 . 1 113 113 GLN N N 15 112.466 0.3 . 1 . . . . . 113 GLN N . 53392 1 394 . 1 . 1 114 114 TYR H H 1 9.674 0.02 . 1 . . . . . 114 TYR H . 53392 1 395 . 1 . 1 114 114 TYR C C 13 170.121 0.3 . 1 . . . . . 114 TYR C . 53392 1 396 . 1 . 1 114 114 TYR CA C 13 55.513 0.3 . 1 . . . . . 114 TYR CA . 53392 1 397 . 1 . 1 114 114 TYR CB C 13 42.195 0.3 . 1 . . . . . 114 TYR CB . 53392 1 398 . 1 . 1 114 114 TYR N N 15 125.174 0.3 . 1 . . . . . 114 TYR N . 53392 1 399 . 1 . 1 115 115 ALA H H 1 6.946 0.02 . 1 . . . . . 115 ALA H . 53392 1 400 . 1 . 1 115 115 ALA C C 13 173.962 0.3 . 1 . . . . . 115 ALA C . 53392 1 401 . 1 . 1 115 115 ALA CA C 13 50.311 0.3 . 1 . . . . . 115 ALA CA . 53392 1 402 . 1 . 1 115 115 ALA CB C 13 16.333 0.3 . 1 . . . . . 115 ALA CB . 53392 1 403 . 1 . 1 115 115 ALA N N 15 127.966 0.3 . 1 . . . . . 115 ALA N . 53392 1 404 . 1 . 1 116 116 GLN H H 1 8.596 0.02 . 1 . . . . . 116 GLN H . 53392 1 405 . 1 . 1 116 116 GLN C C 13 173.683 0.3 . 1 . . . . . 116 GLN C . 53392 1 406 . 1 . 1 116 116 GLN CA C 13 54.378 0.3 . 1 . . . . . 116 GLN CA . 53392 1 407 . 1 . 1 116 116 GLN CB C 13 25.677 0.3 . 1 . . . . . 116 GLN CB . 53392 1 408 . 1 . 1 116 116 GLN N N 15 122.242 0.3 . 1 . . . . . 116 GLN N . 53392 1 409 . 1 . 1 117 117 LYS H H 1 9.868 0.02 . 1 . . . . . 117 LYS H . 53392 1 410 . 1 . 1 117 117 LYS C C 13 173.704 0.3 . 1 . . . . . 117 LYS C . 53392 1 411 . 1 . 1 117 117 LYS CA C 13 53.046 0.3 . 1 . . . . . 117 LYS CA . 53392 1 412 . 1 . 1 117 117 LYS CB C 13 31.541 0.3 . 1 . . . . . 117 LYS CB . 53392 1 413 . 1 . 1 117 117 LYS N N 15 130.669 0.3 . 1 . . . . . 117 LYS N . 53392 1 414 . 1 . 1 118 118 MET H H 1 8.705 0.02 . 1 . . . . . 118 MET H . 53392 1 415 . 1 . 1 118 118 MET C C 13 174.541 0.3 . 1 . . . . . 118 MET C . 53392 1 416 . 1 . 1 118 118 MET CA C 13 52.909 0.3 . 1 . . . . . 118 MET CA . 53392 1 417 . 1 . 1 118 118 MET CB C 13 29.863 0.3 . 1 . . . . . 118 MET CB . 53392 1 418 . 1 . 1 118 118 MET N N 15 121.15 0.3 . 1 . . . . . 118 MET N . 53392 1 419 . 1 . 1 119 119 VAL H H 1 8.142 0.02 . 1 . . . . . 119 VAL H . 53392 1 420 . 1 . 1 119 119 VAL C C 13 174.691 0.3 . 1 . . . . . 119 VAL C . 53392 1 421 . 1 . 1 119 119 VAL CA C 13 62.285 0.3 . 1 . . . . . 119 VAL CA . 53392 1 422 . 1 . 1 119 119 VAL CB C 13 29.461 0.3 . 1 . . . . . 119 VAL CB . 53392 1 423 . 1 . 1 119 119 VAL N N 15 118.776 0.3 . 1 . . . . . 119 VAL N . 53392 1 424 . 1 . 1 120 120 GLU H H 1 8.89 0.02 . 1 . . . . . 120 GLU H . 53392 1 425 . 1 . 1 120 120 GLU C C 13 174.305 0.3 . 1 . . . . . 120 GLU C . 53392 1 426 . 1 . 1 120 120 GLU CA C 13 55.685 0.3 . 1 . . . . . 120 GLU CA . 53392 1 427 . 1 . 1 120 120 GLU CB C 13 26.581 0.3 . 1 . . . . . 120 GLU CB . 53392 1 428 . 1 . 1 120 120 GLU N N 15 119.719 0.3 . 1 . . . . . 120 GLU N . 53392 1 429 . 1 . 1 121 121 GLU H H 1 8.021 0.02 . 1 . . . . . 121 GLU H . 53392 1 430 . 1 . 1 121 121 GLU C C 13 173.597 0.3 . 1 . . . . . 121 GLU C . 53392 1 431 . 1 . 1 121 121 GLU CA C 13 53.321 0.3 . 1 . . . . . 121 GLU CA . 53392 1 432 . 1 . 1 121 121 GLU CB C 13 27.667 0.3 . 1 . . . . . 121 GLU CB . 53392 1 433 . 1 . 1 121 121 GLU N N 15 117.769 0.3 . 1 . . . . . 121 GLU N . 53392 1 434 . 1 . 1 122 122 ALA H H 1 7.58 0.02 . 1 . . . . . 122 ALA H . 53392 1 435 . 1 . 1 122 122 ALA C C 13 174.477 0.3 . 1 . . . . . 122 ALA C . 53392 1 436 . 1 . 1 122 122 ALA CA C 13 49.452 0.3 . 1 . . . . . 122 ALA CA . 53392 1 437 . 1 . 1 122 122 ALA CB C 13 16.911 0.3 . 1 . . . . . 122 ALA CB . 53392 1 438 . 1 . 1 122 122 ALA N N 15 123.389 0.3 . 1 . . . . . 122 ALA N . 53392 1 439 . 1 . 1 123 123 ALA H H 1 8.028 0.02 . 1 . . . . . 123 ALA H . 53392 1 440 . 1 . 1 123 123 ALA C C 13 175.635 0.3 . 1 . . . . . 123 ALA C . 53392 1 441 . 1 . 1 123 123 ALA CA C 13 52.395 0.3 . 1 . . . . . 123 ALA CA . 53392 1 442 . 1 . 1 123 123 ALA CB C 13 15.784 0.3 . 1 . . . . . 123 ALA CB . 53392 1 443 . 1 . 1 123 123 ALA N N 15 122.633 0.3 . 1 . . . . . 123 ALA N . 53392 1 444 . 1 . 1 124 124 ASN H H 1 8.263 0.02 . 1 . . . . . 124 ASN H . 53392 1 445 . 1 . 1 124 124 ASN C C 13 169.585 0.3 . 1 . . . . . 124 ASN C . 53392 1 446 . 1 . 1 124 124 ASN CA C 13 50.552 0.3 . 1 . . . . . 124 ASN CA . 53392 1 447 . 1 . 1 124 124 ASN CB C 13 35.12 0.3 . 1 . . . . . 124 ASN CB . 53392 1 448 . 1 . 1 124 124 ASN N N 15 112.387 0.3 . 1 . . . . . 124 ASN N . 53392 1 449 . 1 . 1 125 125 GLN H H 1 7.296 0.02 . 1 . . . . . 125 GLN H . 53392 1 450 . 1 . 1 125 125 GLN C C 13 171.666 0.3 . 1 . . . . . 125 GLN C . 53392 1 451 . 1 . 1 125 125 GLN CA C 13 51.464 0.3 . 1 . . . . . 125 GLN CA . 53392 1 452 . 1 . 1 125 125 GLN CB C 13 27.667 0.3 . 1 . . . . . 125 GLN CB . 53392 1 453 . 1 . 1 125 125 GLN N N 15 110.737 0.3 . 1 . . . . . 125 GLN N . 53392 1 454 . 1 . 1 126 126 ARG H H 1 6.517 0.02 . 1 . . . . . 126 ARG H . 53392 1 455 . 1 . 1 126 126 ARG C C 13 173.125 0.3 . 1 . . . . . 126 ARG C . 53392 1 456 . 1 . 1 126 126 ARG CA C 13 51.973 0.3 . 1 . . . . . 126 ARG CA . 53392 1 457 . 1 . 1 126 126 ARG CB C 13 28.207 0.3 . 1 . . . . . 126 ARG CB . 53392 1 458 . 1 . 1 126 126 ARG N N 15 116.626 0.3 . 1 . . . . . 126 ARG N . 53392 1 459 . 1 . 1 127 127 TRP H H 1 9.614 0.02 . 1 . . . . . 127 TRP H . 53392 1 460 . 1 . 1 127 127 TRP C C 13 172.889 0.3 . 1 . . . . . 127 TRP C . 53392 1 461 . 1 . 1 127 127 TRP CA C 13 53.205 0.3 . 1 . . . . . 127 TRP CA . 53392 1 462 . 1 . 1 127 127 TRP CB C 13 31.311 0.3 . 1 . . . . . 127 TRP CB . 53392 1 463 . 1 . 1 127 127 TRP N N 15 126.034 0.3 . 1 . . . . . 127 TRP N . 53392 1 464 . 1 . 1 128 128 ALA H H 1 9.043 0.02 . 1 . . . . . 128 ALA H . 53392 1 465 . 1 . 1 128 128 ALA C C 13 169.713 0.3 . 1 . . . . . 128 ALA C . 53392 1 466 . 1 . 1 128 128 ALA CA C 13 47.951 0.3 . 1 . . . . . 128 ALA CA . 53392 1 467 . 1 . 1 128 128 ALA CB C 13 20.129 0.3 . 1 . . . . . 128 ALA CB . 53392 1 468 . 1 . 1 128 128 ALA N N 15 126.071 0.3 . 1 . . . . . 128 ALA N . 53392 1 469 . 1 . 1 129 129 ILE H H 1 7.628 0.02 . 1 . . . . . 129 ILE H . 53392 1 470 . 1 . 1 129 129 ILE C C 13 173.189 0.3 . 1 . . . . . 129 ILE C . 53392 1 471 . 1 . 1 129 129 ILE CA C 13 55.127 0.3 . 1 . . . . . 129 ILE CA . 53392 1 472 . 1 . 1 129 129 ILE CB C 13 39.871 0.3 . 1 . . . . . 129 ILE CB . 53392 1 473 . 1 . 1 129 129 ILE N N 15 115.119 0.3 . 1 . . . . . 129 ILE N . 53392 1 474 . 1 . 1 130 130 ASP H H 1 8.558 0.02 . 1 . . . . . 130 ASP H . 53392 1 475 . 1 . 1 130 130 ASP C C 13 175.957 0.3 . 1 . . . . . 130 ASP C . 53392 1 476 . 1 . 1 130 130 ASP CA C 13 49.265 0.3 . 1 . . . . . 130 ASP CA . 53392 1 477 . 1 . 1 130 130 ASP CB C 13 40.244 0.3 . 1 . . . . . 130 ASP CB . 53392 1 478 . 1 . 1 130 130 ASP N N 15 125.363 0.3 . 1 . . . . . 130 ASP N . 53392 1 479 . 1 . 1 131 131 GLU H H 1 8.902 0.02 . 1 . . . . . 131 GLU H . 53392 1 480 . 1 . 1 131 131 GLU C C 13 174.756 0.3 . 1 . . . . . 131 GLU C . 53392 1 481 . 1 . 1 131 131 GLU CA C 13 56.264 0.3 . 1 . . . . . 131 GLU CA . 53392 1 482 . 1 . 1 131 131 GLU CB C 13 26.453 0.3 . 1 . . . . . 131 GLU CB . 53392 1 483 . 1 . 1 131 131 GLU N N 15 117.072 0.3 . 1 . . . . . 131 GLU N . 53392 1 484 . 1 . 1 132 132 ASP H H 1 7.894 0.02 . 1 . . . . . 132 ASP H . 53392 1 485 . 1 . 1 132 132 ASP C C 13 172.975 0.3 . 1 . . . . . 132 ASP C . 53392 1 486 . 1 . 1 132 132 ASP CA C 13 52.188 0.3 . 1 . . . . . 132 ASP CA . 53392 1 487 . 1 . 1 132 132 ASP CB C 13 39.756 0.3 . 1 . . . . . 132 ASP CB . 53392 1 488 . 1 . 1 132 132 ASP N N 15 117.485 0.3 . 1 . . . . . 132 ASP N . 53392 1 489 . 1 . 1 133 133 GLY H H 1 8.143 0.02 . 1 . . . . . 133 GLY H . 53392 1 490 . 1 . 1 133 133 GLY C C 13 171.966 0.3 . 1 . . . . . 133 GLY C . 53392 1 491 . 1 . 1 133 133 GLY CA C 13 42.694 0.3 . 1 . . . . . 133 GLY CA . 53392 1 492 . 1 . 1 133 133 GLY N N 15 107.024 0.3 . 1 . . . . . 133 GLY N . 53392 1 493 . 1 . 1 134 134 TYR H H 1 8.625 0.02 . 1 . . . . . 134 TYR H . 53392 1 494 . 1 . 1 134 134 TYR C C 13 173.06 0.3 . 1 . . . . . 134 TYR C . 53392 1 495 . 1 . 1 134 134 TYR CA C 13 56.133 0.3 . 1 . . . . . 134 TYR CA . 53392 1 496 . 1 . 1 134 134 TYR CB C 13 35.527 0.3 . 1 . . . . . 134 TYR CB . 53392 1 497 . 1 . 1 134 134 TYR N N 15 121.828 0.3 . 1 . . . . . 134 TYR N . 53392 1 498 . 1 . 1 135 135 ILE H H 1 9.472 0.02 . 1 . . . . . 135 ILE H . 53392 1 499 . 1 . 1 135 135 ILE C C 13 171.773 0.3 . 1 . . . . . 135 ILE C . 53392 1 500 . 1 . 1 135 135 ILE CA C 13 58.597 0.3 . 1 . . . . . 135 ILE CA . 53392 1 501 . 1 . 1 135 135 ILE CB C 13 35.656 0.3 . 1 . . . . . 135 ILE CB . 53392 1 502 . 1 . 1 135 135 ILE N N 15 121.853 0.3 . 1 . . . . . 135 ILE N . 53392 1 503 . 1 . 1 136 136 PHE H H 1 8.385 0.02 . 1 . . . . . 136 PHE H . 53392 1 504 . 1 . 1 136 136 PHE C C 13 174.391 0.3 . 1 . . . . . 136 PHE C . 53392 1 505 . 1 . 1 136 136 PHE CA C 13 51.142 0.3 . 1 . . . . . 136 PHE CA . 53392 1 506 . 1 . 1 136 136 PHE CB C 13 39.878 0.3 . 1 . . . . . 136 PHE CB . 53392 1 507 . 1 . 1 136 136 PHE N N 15 121.164 0.3 . 1 . . . . . 136 PHE N . 53392 1 508 . 1 . 1 137 137 CYS H H 1 8.728 0.02 . 1 . . . . . 137 CYS H . 53392 1 509 . 1 . 1 137 137 CYS C C 13 174.541 0.3 . 1 . . . . . 137 CYS C . 53392 1 510 . 1 . 1 137 137 CYS CA C 13 56.139 0.3 . 1 . . . . . 137 CYS CA . 53392 1 511 . 1 . 1 137 137 CYS CB C 13 24.393 0.3 . 1 . . . . . 137 CYS CB . 53392 1 512 . 1 . 1 137 137 CYS N N 15 121.625 0.3 . 1 . . . . . 137 CYS N . 53392 1 513 . 1 . 1 138 138 GLU H H 1 8.245 0.02 . 1 . . . . . 138 GLU H . 53392 1 514 . 1 . 1 138 138 GLU C C 13 174.579 0.3 . 1 . . . . . 138 GLU C . 53392 1 515 . 1 . 1 138 138 GLU CA C 13 57.52 0.3 . 1 . . . . . 138 GLU CA . 53392 1 516 . 1 . 1 138 138 GLU CB C 13 27.069 0.3 . 1 . . . . . 138 GLU CB . 53392 1 517 . 1 . 1 138 138 GLU N N 15 126.786 0.3 . 1 . . . . . 138 GLU N . 53392 1 518 . 1 . 1 139 139 ALA H H 1 8.217 0.02 . 1 . . . . . 139 ALA H . 53392 1 519 . 1 . 1 139 139 ALA C C 13 175.313 0.3 . 1 . . . . . 139 ALA C . 53392 1 520 . 1 . 1 139 139 ALA CA C 13 50.521 0.3 . 1 . . . . . 139 ALA CA . 53392 1 521 . 1 . 1 139 139 ALA CB C 13 16.74 0.3 . 1 . . . . . 139 ALA CB . 53392 1 522 . 1 . 1 139 139 ALA N N 15 115.892 0.3 . 1 . . . . . 139 ALA N . 53392 1 523 . 1 . 1 140 140 ARG H H 1 7.586 0.02 . 1 . . . . . 140 ARG H . 53392 1 524 . 1 . 1 140 140 ARG C C 13 169.456 0.3 . 1 . . . . . 140 ARG C . 53392 1 525 . 1 . 1 140 140 ARG CA C 13 48.241 0.3 . 1 . . . . . 140 ARG CA . 53392 1 526 . 1 . 1 140 140 ARG CB C 13 28.451 0.3 . 1 . . . . . 140 ARG CB . 53392 1 527 . 1 . 1 140 140 ARG N N 15 116.525 0.3 . 1 . . . . . 140 ARG N . 53392 1 528 . 1 . 1 142 142 ASP H H 1 8.838 0.02 . 1 . . . . . 142 ASP H . 53392 1 529 . 1 . 1 142 142 ASP C C 13 171.301 0.3 . 1 . . . . . 142 ASP C . 53392 1 530 . 1 . 1 142 142 ASP CA C 13 51.303 0.3 . 1 . . . . . 142 ASP CA . 53392 1 531 . 1 . 1 142 142 ASP CB C 13 36.503 0.3 . 1 . . . . . 142 ASP CB . 53392 1 532 . 1 . 1 142 142 ASP N N 15 111.995 0.3 . 1 . . . . . 142 ASP N . 53392 1 533 . 1 . 1 143 143 LEU H H 1 7.952 0.02 . 1 . . . . . 143 LEU H . 53392 1 534 . 1 . 1 143 143 LEU C C 13 171.451 0.3 . 1 . . . . . 143 LEU C . 53392 1 535 . 1 . 1 143 143 LEU CA C 13 50.988 0.3 . 1 . . . . . 143 LEU CA . 53392 1 536 . 1 . 1 143 143 LEU CB C 13 40.241 0.3 . 1 . . . . . 143 LEU CB . 53392 1 537 . 1 . 1 143 143 LEU N N 15 123.088 0.3 . 1 . . . . . 143 LEU N . 53392 1 538 . 1 . 1 144 144 VAL H H 1 8.969 0.02 . 1 . . . . . 144 VAL H . 53392 1 539 . 1 . 1 144 144 VAL C C 13 173.554 0.3 . 1 . . . . . 144 VAL C . 53392 1 540 . 1 . 1 144 144 VAL CA C 13 54.896 0.3 . 1 . . . . . 144 VAL CA . 53392 1 541 . 1 . 1 144 144 VAL CB C 13 31.379 0.3 . 1 . . . . . 144 VAL CB . 53392 1 542 . 1 . 1 144 144 VAL N N 15 112.448 0.3 . 1 . . . . . 144 VAL N . 53392 1 543 . 1 . 1 145 145 LEU H H 1 8.516 0.02 . 1 . . . . . 145 LEU H . 53392 1 544 . 1 . 1 145 145 LEU C C 13 175.936 0.3 . 1 . . . . . 145 LEU C . 53392 1 545 . 1 . 1 145 145 LEU CA C 13 53.609 0.3 . 1 . . . . . 145 LEU CA . 53392 1 546 . 1 . 1 145 145 LEU CB C 13 39.34 0.3 . 1 . . . . . 145 LEU CB . 53392 1 547 . 1 . 1 145 145 LEU N N 15 118.588 0.3 . 1 . . . . . 145 LEU N . 53392 1 548 . 1 . 1 146 146 ASP H H 1 9.185 0.02 . 1 . . . . . 146 ASP H . 53392 1 549 . 1 . 1 146 146 ASP C C 13 171.666 0.3 . 1 . . . . . 146 ASP C . 53392 1 550 . 1 . 1 146 146 ASP CA C 13 50.203 0.3 . 1 . . . . . 146 ASP CA . 53392 1 551 . 1 . 1 146 146 ASP CB C 13 44.197 0.3 . 1 . . . . . 146 ASP CB . 53392 1 552 . 1 . 1 146 146 ASP N N 15 124.377 0.3 . 1 . . . . . 146 ASP N . 53392 1 553 . 1 . 1 147 147 ILE H H 1 8.247 0.02 . 1 . . . . . 147 ILE H . 53392 1 554 . 1 . 1 147 147 ILE C C 13 173.189 0.3 . 1 . . . . . 147 ILE C . 53392 1 555 . 1 . 1 147 147 ILE CA C 13 59.438 0.3 . 1 . . . . . 147 ILE CA . 53392 1 556 . 1 . 1 147 147 ILE CB C 13 37.135 0.3 . 1 . . . . . 147 ILE CB . 53392 1 557 . 1 . 1 147 147 ILE N N 15 122.1 0.3 . 1 . . . . . 147 ILE N . 53392 1 558 . 1 . 1 148 148 GLN H H 1 8.264 0.02 . 1 . . . . . 148 GLN H . 53392 1 559 . 1 . 1 148 148 GLN C C 13 174.155 0.3 . 1 . . . . . 148 GLN C . 53392 1 560 . 1 . 1 148 148 GLN CA C 13 55.433 0.3 . 1 . . . . . 148 GLN CA . 53392 1 561 . 1 . 1 148 148 GLN CB C 13 27.611 0.3 . 1 . . . . . 148 GLN CB . 53392 1 562 . 1 . 1 148 148 GLN N N 15 129.978 0.3 . 1 . . . . . 148 GLN N . 53392 1 563 . 1 . 1 149 149 GLY H H 1 9.121 0.02 . 1 . . . . . 149 GLY H . 53392 1 564 . 1 . 1 149 149 GLY C C 13 174.262 0.3 . 1 . . . . . 149 GLY C . 53392 1 565 . 1 . 1 149 149 GLY CA C 13 42.977 0.3 . 1 . . . . . 149 GLY CA . 53392 1 566 . 1 . 1 149 149 GLY N N 15 116.146 0.3 . 1 . . . . . 149 GLY N . 53392 1 567 . 1 . 1 150 150 ALA H H 1 8.542 0.02 . 1 . . . . . 150 ALA H . 53392 1 568 . 1 . 1 150 150 ALA C C 13 172.76 0.3 . 1 . . . . . 150 ALA C . 53392 1 569 . 1 . 1 150 150 ALA CA C 13 50.002 0.3 . 1 . . . . . 150 ALA CA . 53392 1 570 . 1 . 1 150 150 ALA CB C 13 14.43 0.3 . 1 . . . . . 150 ALA CB . 53392 1 571 . 1 . 1 150 150 ALA N N 15 120.135 0.3 . 1 . . . . . 150 ALA N . 53392 1 572 . 1 . 1 151 151 GLU H H 1 7.208 0.02 . 1 . . . . . 151 GLU H . 53392 1 573 . 1 . 1 151 151 GLU C C 13 173.146 0.3 . 1 . . . . . 151 GLU C . 53392 1 574 . 1 . 1 151 151 GLU CA C 13 54.333 0.3 . 1 . . . . . 151 GLU CA . 53392 1 575 . 1 . 1 151 151 GLU CB C 13 27.136 0.3 . 1 . . . . . 151 GLU CB . 53392 1 576 . 1 . 1 151 151 GLU N N 15 118.26 0.3 . 1 . . . . . 151 GLU N . 53392 1 577 . 1 . 1 152 152 ASP H H 1 8.794 0.02 . 1 . . . . . 152 ASP H . 53392 1 578 . 1 . 1 152 152 ASP C C 13 173.318 0.3 . 1 . . . . . 152 ASP C . 53392 1 579 . 1 . 1 152 152 ASP CA C 13 49.828 0.3 . 1 . . . . . 152 ASP CA . 53392 1 580 . 1 . 1 152 152 ASP CB C 13 37.03 0.3 . 1 . . . . . 152 ASP CB . 53392 1 581 . 1 . 1 152 152 ASP N N 15 125.341 0.3 . 1 . . . . . 152 ASP N . 53392 1 582 . 1 . 1 153 153 GLU H H 1 7.18 0.02 . 1 . . . . . 153 GLU H . 53392 1 583 . 1 . 1 153 153 GLU C C 13 173.168 0.3 . 1 . . . . . 153 GLU C . 53392 1 584 . 1 . 1 153 153 GLU CA C 13 51.785 0.3 . 1 . . . . . 153 GLU CA . 53392 1 585 . 1 . 1 153 153 GLU CB C 13 30.507 0.3 . 1 . . . . . 153 GLU CB . 53392 1 586 . 1 . 1 153 153 GLU N N 15 118.921 0.3 . 1 . . . . . 153 GLU N . 53392 1 587 . 1 . 1 154 154 ASP H H 1 8.874 0.02 . 1 . . . . . 154 ASP H . 53392 1 588 . 1 . 1 154 154 ASP C C 13 174.241 0.3 . 1 . . . . . 154 ASP C . 53392 1 589 . 1 . 1 154 154 ASP CA C 13 53.153 0.3 . 1 . . . . . 154 ASP CA . 53392 1 590 . 1 . 1 154 154 ASP CB C 13 38.943 0.3 . 1 . . . . . 154 ASP CB . 53392 1 591 . 1 . 1 154 154 ASP N N 15 120.125 0.3 . 1 . . . . . 154 ASP N . 53392 1 592 . 1 . 1 155 155 CYS H H 1 9.055 0.02 . 1 . . . . . 155 CYS H . 53392 1 593 . 1 . 1 155 155 CYS C C 13 170.035 0.3 . 1 . . . . . 155 CYS C . 53392 1 594 . 1 . 1 155 155 CYS CA C 13 57.578 0.3 . 1 . . . . . 155 CYS CA . 53392 1 595 . 1 . 1 155 155 CYS CB C 13 21.899 0.3 . 1 . . . . . 155 CYS CB . 53392 1 596 . 1 . 1 155 155 CYS N N 15 111.186 0.3 . 1 . . . . . 155 CYS N . 53392 1 597 . 1 . 1 156 156 VAL H H 1 6.741 0.02 . 1 . . . . . 156 VAL H . 53392 1 598 . 1 . 1 156 156 VAL C C 13 171.108 0.3 . 1 . . . . . 156 VAL C . 53392 1 599 . 1 . 1 156 156 VAL CA C 13 57.846 0.3 . 1 . . . . . 156 VAL CA . 53392 1 600 . 1 . 1 156 156 VAL CB C 13 30.81 0.3 . 1 . . . . . 156 VAL CB . 53392 1 601 . 1 . 1 156 156 VAL N N 15 122.051 0.3 . 1 . . . . . 156 VAL N . 53392 1 602 . 1 . 1 158 158 VAL H H 1 7.897 0.02 . 1 . . . . . 158 VAL H . 53392 1 603 . 1 . 1 158 158 VAL C C 13 171.623 0.3 . 1 . . . . . 158 VAL C . 53392 1 604 . 1 . 1 158 158 VAL CA C 13 58.678 0.3 . 1 . . . . . 158 VAL CA . 53392 1 605 . 1 . 1 158 158 VAL CB C 13 29.407 0.3 . 1 . . . . . 158 VAL CB . 53392 1 606 . 1 . 1 158 158 VAL N N 15 121.601 0.3 . 1 . . . . . 158 VAL N . 53392 1 607 . 1 . 1 159 159 ILE H H 1 8.752 0.02 . 1 . . . . . 159 ILE H . 53392 1 608 . 1 . 1 159 159 ILE C C 13 171.902 0.3 . 1 . . . . . 159 ILE C . 53392 1 609 . 1 . 1 159 159 ILE CA C 13 55.969 0.3 . 1 . . . . . 159 ILE CA . 53392 1 610 . 1 . 1 159 159 ILE CB C 13 40.244 0.3 . 1 . . . . . 159 ILE CB . 53392 1 611 . 1 . 1 159 159 ILE N N 15 118.442 0.3 . 1 . . . . . 159 ILE N . 53392 1 612 . 1 . 1 160 160 LEU H H 1 8.3 0.02 . 1 . . . . . 160 LEU H . 53392 1 613 . 1 . 1 160 160 LEU C C 13 175.03 0.3 . 1 . . . . . 160 LEU C . 53392 1 614 . 1 . 1 160 160 LEU CA C 13 50.552 0.3 . 1 . . . . . 160 LEU CA . 53392 1 615 . 1 . 1 160 160 LEU CB C 13 42.115 0.3 . 1 . . . . . 160 LEU CB . 53392 1 616 . 1 . 1 160 160 LEU N N 15 119.499 0.3 . 1 . . . . . 160 LEU N . 53392 1 617 . 1 . 1 161 161 TYR H H 1 9.822 0.02 . 1 . . . . . 161 TYR H . 53392 1 618 . 1 . 1 161 161 TYR C C 13 170.529 0.3 . 1 . . . . . 161 TYR C . 53392 1 619 . 1 . 1 161 161 TYR CA C 13 55.646 0.3 . 1 . . . . . 161 TYR CA . 53392 1 620 . 1 . 1 161 161 TYR CB C 13 41.708 0.3 . 1 . . . . . 161 TYR CB . 53392 1 621 . 1 . 1 161 161 TYR N N 15 127.876 0.3 . 1 . . . . . 161 TYR N . 53392 1 622 . 1 . 1 162 162 GLU H H 1 6.79 0.02 . 1 . . . . . 162 GLU H . 53392 1 623 . 1 . 1 162 162 GLU C C 13 173.876 0.3 . 1 . . . . . 162 GLU C . 53392 1 624 . 1 . 1 162 162 GLU CA C 13 54.269 0.3 . 1 . . . . . 162 GLU CA . 53392 1 625 . 1 . 1 162 162 GLU CB C 13 27.021 0.3 . 1 . . . . . 162 GLU CB . 53392 1 626 . 1 . 1 162 162 GLU N N 15 120.926 0.3 . 1 . . . . . 162 GLU N . 53392 1 627 . 1 . 1 163 163 ARG H H 1 8.424 0.02 . 1 . . . . . 163 ARG H . 53392 1 628 . 1 . 1 163 163 ARG C C 13 173.683 0.3 . 1 . . . . . 163 ARG C . 53392 1 629 . 1 . 1 163 163 ARG CA C 13 54.333 0.3 . 1 . . . . . 163 ARG CA . 53392 1 630 . 1 . 1 163 163 ARG CB C 13 28.068 0.3 . 1 . . . . . 163 ARG CB . 53392 1 631 . 1 . 1 163 163 ARG N N 15 123.874 0.3 . 1 . . . . . 163 ARG N . 53392 1 632 . 1 . 1 164 164 ARG H H 1 9.819 0.02 . 1 . . . . . 164 ARG H . 53392 1 633 . 1 . 1 164 164 ARG C C 13 172.588 0.3 . 1 . . . . . 164 ARG C . 53392 1 634 . 1 . 1 164 164 ARG CA C 13 52.134 0.3 . 1 . . . . . 164 ARG CA . 53392 1 635 . 1 . 1 164 164 ARG CB C 13 29.427 0.3 . 1 . . . . . 164 ARG CB . 53392 1 636 . 1 . 1 164 164 ARG N N 15 130.265 0.3 . 1 . . . . . 164 ARG N . 53392 1 637 . 1 . 1 165 165 GLU H H 1 8.417 0.02 . 1 . . . . . 165 GLU H . 53392 1 638 . 1 . 1 165 165 GLU C C 13 174.391 0.3 . 1 . . . . . 165 GLU C . 53392 1 639 . 1 . 1 165 165 GLU CA C 13 52.992 0.3 . 1 . . . . . 165 GLU CA . 53392 1 640 . 1 . 1 165 165 GLU CB C 13 28.978 0.3 . 1 . . . . . 165 GLU CB . 53392 1 641 . 1 . 1 165 165 GLU N N 15 120.788 0.3 . 1 . . . . . 165 GLU N . 53392 1 642 . 1 . 1 166 166 GLY H H 1 8.579 0.02 . 1 . . . . . 166 GLY H . 53392 1 643 . 1 . 1 166 166 GLY C C 13 173.082 0.3 . 1 . . . . . 166 GLY C . 53392 1 644 . 1 . 1 166 166 GLY CA C 13 42.655 0.3 . 1 . . . . . 166 GLY CA . 53392 1 645 . 1 . 1 166 166 GLY N N 15 107.98 0.3 . 1 . . . . . 166 GLY N . 53392 1 646 . 1 . 1 168 168 VAL H H 1 7.878 0.02 . 1 . . . . . 168 VAL H . 53392 1 647 . 1 . 1 168 168 VAL C C 13 173.125 0.3 . 1 . . . . . 168 VAL C . 53392 1 648 . 1 . 1 168 168 VAL CA C 13 59.75 0.3 . 1 . . . . . 168 VAL CA . 53392 1 649 . 1 . 1 168 168 VAL CB C 13 28.507 0.3 . 1 . . . . . 168 VAL CB . 53392 1 650 . 1 . 1 168 168 VAL N N 15 115.417 0.3 . 1 . . . . . 168 VAL N . 53392 1 651 . 1 . 1 169 169 SER H H 1 7.781 0.02 . 1 . . . . . 169 SER H . 53392 1 652 . 1 . 1 169 169 SER C C 13 172.631 0.3 . 1 . . . . . 169 SER C . 53392 1 653 . 1 . 1 169 169 SER CA C 13 55.127 0.3 . 1 . . . . . 169 SER CA . 53392 1 654 . 1 . 1 169 169 SER CB C 13 61.796 0.3 . 1 . . . . . 169 SER CB . 53392 1 655 . 1 . 1 169 169 SER N N 15 115.853 0.3 . 1 . . . . . 169 SER N . 53392 1 656 . 1 . 1 170 170 ALA H H 1 7.853 0.02 . 1 . . . . . 170 ALA H . 53392 1 657 . 1 . 1 170 170 ALA C C 13 176.772 0.3 . 1 . . . . . 170 ALA C . 53392 1 658 . 1 . 1 170 170 ALA CA C 13 54.803 0.3 . 1 . . . . . 170 ALA CA . 53392 1 659 . 1 . 1 170 170 ALA CB C 13 15.623 0.3 . 1 . . . . . 170 ALA CB . 53392 1 660 . 1 . 1 170 170 ALA N N 15 125.434 0.3 . 1 . . . . . 170 ALA N . 53392 1 661 . 1 . 1 171 171 ASN H H 1 7.812 0.02 . 1 . . . . . 171 ASN H . 53392 1 662 . 1 . 1 171 171 ASN C C 13 170.271 0.3 . 1 . . . . . 171 ASN C . 53392 1 663 . 1 . 1 171 171 ASN CA C 13 52.054 0.3 . 1 . . . . . 171 ASN CA . 53392 1 664 . 1 . 1 171 171 ASN CB C 13 33.285 0.3 . 1 . . . . . 171 ASN CB . 53392 1 665 . 1 . 1 171 171 ASN N N 15 110.053 0.3 . 1 . . . . . 171 ASN N . 53392 1 666 . 1 . 1 172 172 GLN H H 1 7.502 0.02 . 1 . . . . . 172 GLN H . 53392 1 667 . 1 . 1 172 172 GLN C C 13 171.43 0.3 . 1 . . . . . 172 GLN C . 53392 1 668 . 1 . 1 172 172 GLN CA C 13 51.031 0.3 . 1 . . . . . 172 GLN CA . 53392 1 669 . 1 . 1 172 172 GLN CB C 13 27.151 0.3 . 1 . . . . . 172 GLN CB . 53392 1 670 . 1 . 1 172 172 GLN N N 15 114.879 0.3 . 1 . . . . . 172 GLN N . 53392 1 671 . 1 . 1 173 173 ARG H H 1 6.812 0.02 . 1 . . . . . 173 ARG H . 53392 1 672 . 1 . 1 173 173 ARG C C 13 174.155 0.3 . 1 . . . . . 173 ARG C . 53392 1 673 . 1 . 1 173 173 ARG CA C 13 52.011 0.3 . 1 . . . . . 173 ARG CA . 53392 1 674 . 1 . 1 173 173 ARG CB C 13 29.942 0.3 . 1 . . . . . 173 ARG CB . 53392 1 675 . 1 . 1 173 173 ARG N N 15 115.761 0.3 . 1 . . . . . 173 ARG N . 53392 1 676 . 1 . 1 174 174 TRP H H 1 9.519 0.02 . 1 . . . . . 174 TRP H . 53392 1 677 . 1 . 1 174 174 TRP C C 13 172.696 0.3 . 1 . . . . . 174 TRP C . 53392 1 678 . 1 . 1 174 174 TRP CA C 13 53.77 0.3 . 1 . . . . . 174 TRP CA . 53392 1 679 . 1 . 1 174 174 TRP CB C 13 30.413 0.3 . 1 . . . . . 174 TRP CB . 53392 1 680 . 1 . 1 174 174 TRP N N 15 125.474 0.3 . 1 . . . . . 174 TRP N . 53392 1 681 . 1 . 1 175 175 GLU H H 1 9.629 0.02 . 1 . . . . . 175 GLU H . 53392 1 682 . 1 . 1 175 175 GLU C C 13 171.237 0.3 . 1 . . . . . 175 GLU C . 53392 1 683 . 1 . 1 175 175 GLU CA C 13 52.08 0.3 . 1 . . . . . 175 GLU CA . 53392 1 684 . 1 . 1 175 175 GLU CB C 13 30.896 0.3 . 1 . . . . . 175 GLU CB . 53392 1 685 . 1 . 1 175 175 GLU N N 15 121.342 0.3 . 1 . . . . . 175 GLU N . 53392 1 686 . 1 . 1 176 176 LEU H H 1 8.794 0.02 . 1 . . . . . 176 LEU H . 53392 1 687 . 1 . 1 176 176 LEU C C 13 174.163 0.3 . 1 . . . . . 176 LEU C . 53392 1 688 . 1 . 1 176 176 LEU CA C 13 51.061 0.3 . 1 . . . . . 176 LEU CA . 53392 1 689 . 1 . 1 176 176 LEU CB C 13 30.908 0.3 . 1 . . . . . 176 LEU CB . 53392 1 690 . 1 . 1 176 176 LEU N N 15 124.291 0.3 . 1 . . . . . 176 LEU N . 53392 1 691 . 1 . 1 177 177 VAL H H 1 9.154 0.02 . 1 . . . . . 177 VAL H . 53392 1 692 . 1 . 1 177 177 VAL C C 13 173.296 0.3 . 1 . . . . . 177 VAL C . 53392 1 693 . 1 . 1 177 177 VAL CA C 13 56.425 0.3 . 1 . . . . . 177 VAL CA . 53392 1 694 . 1 . 1 177 177 VAL CB C 13 32.192 0.3 . 1 . . . . . 177 VAL CB . 53392 1 695 . 1 . 1 177 177 VAL N N 15 126.656 0.3 . 1 . . . . . 177 VAL N . 53392 1 696 . 1 . 1 179 179 PHE H H 1 8.481 0.02 . 1 . . . . . 179 PHE H . 53392 1 697 . 1 . 1 179 179 PHE C C 13 173.318 0.3 . 1 . . . . . 179 PHE C . 53392 1 698 . 1 . 1 179 179 PHE CA C 13 54.723 0.3 . 1 . . . . . 179 PHE CA . 53392 1 699 . 1 . 1 179 179 PHE CB C 13 37.908 0.3 . 1 . . . . . 179 PHE CB . 53392 1 700 . 1 . 1 179 179 PHE N N 15 123.644 0.3 . 1 . . . . . 179 PHE N . 53392 1 701 . 1 . 1 180 180 GLU H H 1 8.696 0.02 . 1 . . . . . 180 GLU H . 53392 1 702 . 1 . 1 180 180 GLU C C 13 172.031 0.3 . 1 . . . . . 180 GLU C . 53392 1 703 . 1 . 1 180 180 GLU CA C 13 53.019 0.3 . 1 . . . . . 180 GLU CA . 53392 1 704 . 1 . 1 180 180 GLU CB C 13 27.369 0.3 . 1 . . . . . 180 GLU CB . 53392 1 705 . 1 . 1 180 180 GLU N N 15 126.79 0.3 . 1 . . . . . 180 GLU N . 53392 1 706 . 1 . 1 181 181 GLY H H 1 6.272 0.02 . 1 . . . . . 181 GLY H . 53392 1 707 . 1 . 1 181 181 GLY C C 13 175.488 0.3 . 1 . . . . . 181 GLY C . 53392 1 708 . 1 . 1 181 181 GLY CA C 13 43.472 0.3 . 1 . . . . . 181 GLY CA . 53392 1 709 . 1 . 1 181 181 GLY N N 15 113.813 0.3 . 1 . . . . . 181 GLY N . 53392 1 stop_ save_