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' 627 53392 '15N chemical shifts' 151 53392 '1H chemical shifts' 849 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 1 . . 2025-11-17 . original BMRB . 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 5 5 HIS HA H 1 5.012 0.000 . . . . . . . 5 HIS HA . 53392 1 2 . 1 . 1 5 5 HIS HB2 H 1 3.127 0.000 . . . . . . . 5 HIS HB2 . 53392 1 3 . 1 . 1 5 5 HIS HB3 H 1 2.181 0.000 . . . . . . . 5 HIS HB3 . 53392 1 4 . 1 . 1 5 5 HIS C C 13 171.919 0.000 . . . . . . . 5 HIS C . 53392 1 5 . 1 . 1 5 5 HIS CA C 13 58.343 0.000 . . . . . . . 5 HIS CA . 53392 1 6 . 1 . 1 5 5 HIS CB C 13 29.300 0.000 . . . . . . . 5 HIS CB . 53392 1 7 . 1 . 1 6 6 HIS H H 1 8.422 0.000 . . . . . . . 6 HIS H . 53392 1 8 . 1 . 1 6 6 HIS HA H 1 4.200 0.000 . . . . . . . 6 HIS HA . 53392 1 9 . 1 . 1 6 6 HIS HB2 H 1 2.063 0.000 . . . . . . . 6 HIS HB2 . 53392 1 10 . 1 . 1 6 6 HIS HB3 H 1 1.545 0.000 . . . . . . . 6 HIS HB3 . 53392 1 11 . 1 . 1 6 6 HIS C C 13 174.047 0.000 . . . . . . . 6 HIS C . 53392 1 12 . 1 . 1 6 6 HIS CA C 13 52.711 0.000 . . . . . . . 6 HIS CA . 53392 1 13 . 1 . 1 6 6 HIS CB C 13 31.614 0.000 . . . . . . . 6 HIS CB . 53392 1 14 . 1 . 1 6 6 HIS N N 15 121.224 0.000 . . . . . . . 6 HIS N . 53392 1 15 . 1 . 1 7 7 HIS H H 1 8.651 0.000 . . . . . . . 7 HIS H . 53392 1 16 . 1 . 1 7 7 HIS CA C 13 53.300 0.000 . . . . . . . 7 HIS CA . 53392 1 17 . 1 . 1 7 7 HIS CB C 13 27.611 0.000 . . . . . . . 7 HIS CB . 53392 1 18 . 1 . 1 7 7 HIS N N 15 120.596 0.000 . . . . . . . 7 HIS N . 53392 1 19 . 1 . 1 8 8 HIS HA H 1 4.650 0.000 . . . . . . . 8 HIS HA . 53392 1 20 . 1 . 1 8 8 HIS HB2 H 1 3.140 0.000 . . . . . . . 8 HIS HB2 . 53392 1 21 . 1 . 1 8 8 HIS C C 13 175.957 0.000 . . . . . . . 8 HIS C . 53392 1 22 . 1 . 1 8 8 HIS CA C 13 52.148 0.000 . . . . . . . 8 HIS CA . 53392 1 23 . 1 . 1 8 8 HIS CB C 13 29.944 0.000 . . . . . . . 8 HIS CB . 53392 1 24 . 1 . 1 9 9 HIS H H 1 8.922 0.000 . . . . . . . 9 HIS H . 53392 1 25 . 1 . 1 9 9 HIS HA H 1 4.660 0.000 . . . . . . . 9 HIS HA . 53392 1 26 . 1 . 1 9 9 HIS HB2 H 1 3.140 0.000 . . . . . . . 9 HIS HB2 . 53392 1 27 . 1 . 1 9 9 HIS HB3 H 1 3.100 0.000 . . . . . . . 9 HIS HB3 . 53392 1 28 . 1 . 1 9 9 HIS C C 13 174.605 0.000 . . . . . . . 9 HIS C . 53392 1 29 . 1 . 1 9 9 HIS CA C 13 56.185 0.000 . . . . . . . 9 HIS CA . 53392 1 30 . 1 . 1 9 9 HIS CB C 13 26.448 0.000 . . . . . . . 9 HIS CB . 53392 1 31 . 1 . 1 9 9 HIS N N 15 117.256 0.000 . . . . . . . 9 HIS N . 53392 1 32 . 1 . 1 10 10 HIS H H 1 7.936 0.000 . . . . . . . 10 HIS H . 53392 1 33 . 1 . 1 10 10 HIS CA C 13 56.200 0.000 . . . . . . . 10 HIS CA . 53392 1 34 . 1 . 1 10 10 HIS N N 15 117.752 0.000 . . . . . . . 10 HIS N . 53392 1 35 . 1 . 1 12 12 SER HA H 1 4.440 0.000 . . . . . . . 12 SER HA . 53392 1 36 . 1 . 1 13 13 GLY HA2 H 1 3.930 0.000 . . . . . . . 13 GLY HA2 . 53392 1 37 . 1 . 1 13 13 GLY HA3 H 1 3.980 0.000 . . . . . . . 13 GLY HA3 . 53392 1 38 . 1 . 1 13 13 GLY CA C 13 45.300 0.000 . . . . . . . 13 GLY CA . 53392 1 39 . 1 . 1 14 14 LEU HA H 1 4.330 0.000 . . . . . . . 14 LEU HA . 53392 1 40 . 1 . 1 14 14 LEU HB2 H 1 1.510 0.000 . . . . . . . 14 LEU HB2 . 53392 1 41 . 1 . 1 14 14 LEU HB3 H 1 1.560 0.000 . . . . . . . 14 LEU HB3 . 53392 1 42 . 1 . 1 14 14 LEU HD11 H 1 0.820 0.000 . . . . . . . 14 LEU HD1 . 53392 1 43 . 1 . 1 14 14 LEU HD12 H 1 0.820 0.000 . . . . . . . 14 LEU HD1 . 53392 1 44 . 1 . 1 14 14 LEU HD13 H 1 0.820 0.000 . . . . . . . 14 LEU HD1 . 53392 1 45 . 1 . 1 14 14 LEU HD21 H 1 0.830 0.000 . . . . . . . 14 LEU HD2 . 53392 1 46 . 1 . 1 14 14 LEU HD22 H 1 0.830 0.000 . . . . . . . 14 LEU HD2 . 53392 1 47 . 1 . 1 14 14 LEU HD23 H 1 0.830 0.000 . . . . . . . 14 LEU HD2 . 53392 1 48 . 1 . 1 14 14 LEU CB C 13 42.400 0.000 . . . . . . . 14 LEU CB . 53392 1 49 . 1 . 1 15 15 VAL HA H 1 4.370 0.000 . . . . . . . 15 VAL HA . 53392 1 50 . 1 . 1 15 15 VAL CA C 13 59.700 0.000 . . . . . . . 15 VAL CA . 53392 1 51 . 1 . 1 15 15 VAL CB C 13 32.700 0.000 . . . . . . . 15 VAL CB . 53392 1 52 . 1 . 1 15 15 VAL CG1 C 13 20.900 0.000 . . . . . . . 15 VAL CG1 . 53392 1 53 . 1 . 1 15 15 VAL CG2 C 13 20.400 0.000 . . . . . . . 15 VAL CG2 . 53392 1 54 . 1 . 1 16 16 PRO HA H 1 4.653 0.000 . . . . . . . 16 PRO HA . 53392 1 55 . 1 . 1 16 16 PRO HB2 H 1 2.205 0.000 . . . . . . . 16 PRO HB2 . 53392 1 56 . 1 . 1 16 16 PRO HB3 H 1 2.205 0.000 . . . . . . . 16 PRO HB3 . 53392 1 57 . 1 . 1 16 16 PRO HG2 H 1 1.939 0.000 . . . . . . . 16 PRO HG2 . 53392 1 58 . 1 . 1 16 16 PRO HG3 H 1 1.892 0.000 . . . . . . . 16 PRO HG3 . 53392 1 59 . 1 . 1 16 16 PRO HD2 H 1 3.738 0.000 . . . . . . . 16 PRO HD2 . 53392 1 60 . 1 . 1 16 16 PRO HD3 H 1 3.831 0.000 . . . . . . . 16 PRO HD3 . 53392 1 61 . 1 . 1 16 16 PRO C C 13 171.683 0.000 . . . . . . . 16 PRO C . 53392 1 62 . 1 . 1 16 16 PRO CA C 13 60.595 0.000 . . . . . . . 16 PRO CA . 53392 1 63 . 1 . 1 16 16 PRO CB C 13 30.265 0.000 . . . . . . . 16 PRO CB . 53392 1 64 . 1 . 1 16 16 PRO CG C 13 27.400 0.000 . . . . . . . 16 PRO CG . 53392 1 65 . 1 . 1 16 16 PRO CD C 13 48.768 0.000 . . . . . . . 16 PRO CD . 53392 1 66 . 1 . 1 17 17 ARG H H 1 7.915 0.000 . . . . . . . 17 ARG H . 53392 1 67 . 1 . 1 17 17 ARG HA H 1 4.300 0.000 . . . . . . . 17 ARG HA . 53392 1 68 . 1 . 1 17 17 ARG HB2 H 1 1.790 0.000 . . . . . . . 17 ARG HB2 . 53392 1 69 . 1 . 1 17 17 ARG HB3 H 1 1.850 0.000 . . . . . . . 17 ARG HB3 . 53392 1 70 . 1 . 1 17 17 ARG HG2 H 1 1.630 0.000 . . . . . . . 17 ARG HG2 . 53392 1 71 . 1 . 1 17 17 ARG HG3 H 1 1.660 0.000 . . . . . . . 17 ARG HG3 . 53392 1 72 . 1 . 1 17 17 ARG HD2 H 1 3.200 0.000 . . . . . . . 17 ARG HD2 . 53392 1 73 . 1 . 1 17 17 ARG HD3 H 1 3.140 0.000 . . . . . . . 17 ARG HD3 . 53392 1 74 . 1 . 1 17 17 ARG CA C 13 58.665 0.000 . . . . . . . 17 ARG CA . 53392 1 75 . 1 . 1 17 17 ARG CB C 13 29.400 0.000 . . . . . . . 17 ARG CB . 53392 1 76 . 1 . 1 17 17 ARG CD C 13 43.400 0.000 . . . . . . . 17 ARG CD . 53392 1 77 . 1 . 1 17 17 ARG N N 15 121.851 0.000 . . . . . . . 17 ARG N . 53392 1 78 . 1 . 1 18 18 GLY HA3 H 1 3.950 0.000 . . . . . . . 18 GLY HA3 . 53392 1 79 . 1 . 1 19 19 SER HB2 H 1 3.850 0.000 . . . . . . . 19 SER HB2 . 53392 1 80 . 1 . 1 19 19 SER HB3 H 1 3.599 0.000 . . . . . . . 19 SER HB3 . 53392 1 81 . 1 . 1 19 19 SER C C 13 170.336 0.000 . . . . . . . 19 SER C . 53392 1 82 . 1 . 1 19 19 SER CA C 13 58.300 0.000 . . . . . . . 19 SER CA . 53392 1 83 . 1 . 1 19 19 SER CB C 13 63.900 0.000 . . . . . . . 19 SER CB . 53392 1 84 . 1 . 1 20 20 HIS H H 1 7.699 0.000 . . . . . . . 20 HIS H . 53392 1 85 . 1 . 1 20 20 HIS HA H 1 4.473 0.000 . . . . . . . 20 HIS HA . 53392 1 86 . 1 . 1 20 20 HIS HB3 H 1 3.372 0.000 . . . . . . . 20 HIS HB3 . 53392 1 87 . 1 . 1 20 20 HIS C C 13 173.160 0.000 . . . . . . . 20 HIS C . 53392 1 88 . 1 . 1 20 20 HIS CA C 13 51.826 0.000 . . . . . . . 20 HIS CA . 53392 1 89 . 1 . 1 20 20 HIS CB C 13 28.817 0.000 . . . . . . . 20 HIS CB . 53392 1 90 . 1 . 1 20 20 HIS N N 15 118.218 0.000 . . . . . . . 20 HIS N . 53392 1 91 . 1 . 1 21 21 MET H H 1 8.709 0.000 . . . . . . . 21 MET H . 53392 1 92 . 1 . 1 21 21 MET HA H 1 3.908 0.000 . . . . . . . 21 MET HA . 53392 1 93 . 1 . 1 21 21 MET HB2 H 1 1.862 0.000 . . . . . . . 21 MET HB2 . 53392 1 94 . 1 . 1 21 21 MET HB3 H 1 1.862 0.000 . . . . . . . 21 MET HB3 . 53392 1 95 . 1 . 1 21 21 MET HG2 H 1 2.211 0.000 . . . . . . . 21 MET HG2 . 53392 1 96 . 1 . 1 21 21 MET HG3 H 1 2.255 0.000 . . . . . . . 21 MET HG3 . 53392 1 97 . 1 . 1 21 21 MET C C 13 170.567 0.000 . . . . . . . 21 MET C . 53392 1 98 . 1 . 1 21 21 MET CA C 13 52.229 0.000 . . . . . . . 21 MET CA . 53392 1 99 . 1 . 1 21 21 MET CB C 13 27.497 0.000 . . . . . . . 21 MET CB . 53392 1 100 . 1 . 1 21 21 MET CG C 13 26.981 0.000 . . . . . . . 21 MET CG . 53392 1 101 . 1 . 1 21 21 MET N N 15 124.212 0.000 . . . . . . . 21 MET N . 53392 1 102 . 1 . 1 22 22 ALA H H 1 7.198 0.000 . . . . . . . 22 ALA H . 53392 1 103 . 1 . 1 22 22 ALA CA C 13 49.099 0.000 . . . . . . . 22 ALA CA . 53392 1 104 . 1 . 1 22 22 ALA N N 15 122.026 0.000 . . . . . . . 22 ALA N . 53392 1 105 . 1 . 1 24 24 MET HA H 1 4.590 0.000 . . . . . . . 24 MET HA . 53392 1 106 . 1 . 1 24 24 MET HB2 H 1 2.120 0.000 . . . . . . . 24 MET HB2 . 53392 1 107 . 1 . 1 24 24 MET HB3 H 1 2.030 0.000 . . . . . . . 24 MET HB3 . 53392 1 108 . 1 . 1 24 24 MET HG2 H 1 2.600 0.000 . . . . . . . 24 MET HG2 . 53392 1 109 . 1 . 1 24 24 MET HG3 H 1 2.520 0.000 . . . . . . . 24 MET HG3 . 53392 1 110 . 1 . 1 24 24 MET C C 13 170.588 0.000 . . . . . . . 24 MET C . 53392 1 111 . 1 . 1 24 24 MET CA C 13 57.000 0.000 . . . . . . . 24 MET CA . 53392 1 112 . 1 . 1 24 24 MET CB C 13 33.000 0.000 . . . . . . . 24 MET CB . 53392 1 113 . 1 . 1 25 25 THR H H 1 7.816 0.000 . . . . . . . 25 THR H . 53392 1 114 . 1 . 1 25 25 THR HB H 1 4.250 0.000 . . . . . . . 25 THR HB . 53392 1 115 . 1 . 1 25 25 THR CA C 13 61.800 0.000 . . . . . . . 25 THR CA . 53392 1 116 . 1 . 1 25 25 THR CG2 C 13 21.500 0.000 . . . . . . . 25 THR CG2 . 53392 1 117 . 1 . 1 25 25 THR N N 15 121.170 0.000 . . . . . . . 25 THR N . 53392 1 118 . 1 . 1 26 26 GLY HA2 H 1 4.020 0.000 . . . . . . . 26 GLY HA2 . 53392 1 119 . 1 . 1 26 26 GLY HA3 H 1 3.970 0.000 . . . . . . . 26 GLY HA3 . 53392 1 120 . 1 . 1 27 27 GLY HA2 H 1 3.980 0.000 . . . . . . . 27 GLY HA2 . 53392 1 121 . 1 . 1 27 27 GLY HA3 H 1 3.930 0.000 . . . . . . . 27 GLY HA3 . 53392 1 122 . 1 . 1 28 28 GLN HA H 1 4.835 0.000 . . . . . . . 28 GLN HA . 53392 1 123 . 1 . 1 28 28 GLN HB2 H 1 2.050 0.000 . . . . . . . 28 GLN HB2 . 53392 1 124 . 1 . 1 28 28 GLN HB3 H 1 1.660 0.000 . . . . . . . 28 GLN HB3 . 53392 1 125 . 1 . 1 28 28 GLN HG3 H 1 1.380 0.000 . . . . . . . 28 GLN HG3 . 53392 1 126 . 1 . 1 28 28 GLN C C 13 172.455 0.000 . . . . . . . 28 GLN C . 53392 1 127 . 1 . 1 28 28 GLN CA C 13 51.424 0.000 . . . . . . . 28 GLN CA . 53392 1 128 . 1 . 1 28 28 GLN CB C 13 30.668 0.000 . . . . . . . 28 GLN CB . 53392 1 129 . 1 . 1 28 28 GLN CG C 13 33.800 0.000 . . . . . . . 28 GLN CG . 53392 1 130 . 1 . 1 29 29 GLN H H 1 9.135 0.000 . . . . . . . 29 GLN H . 53392 1 131 . 1 . 1 29 29 GLN HA H 1 4.310 0.000 . . . . . . . 29 GLN HA . 53392 1 132 . 1 . 1 29 29 GLN HG2 H 1 2.455 0.000 . . . . . . . 29 GLN HG2 . 53392 1 133 . 1 . 1 29 29 GLN HG3 H 1 2.455 0.000 . . . . . . . 29 GLN HG3 . 53392 1 134 . 1 . 1 29 29 GLN C C 13 172.434 0.000 . . . . . . . 29 GLN C . 53392 1 135 . 1 . 1 29 29 GLN CA C 13 52.148 0.000 . . . . . . . 29 GLN CA . 53392 1 136 . 1 . 1 29 29 GLN CB C 13 37.282 0.000 . . . . . . . 29 GLN CB . 53392 1 137 . 1 . 1 29 29 GLN CG C 13 36.071 0.000 . . . . . . . 29 GLN CG . 53392 1 138 . 1 . 1 29 29 GLN N N 15 123.241 0.000 . . . . . . . 29 GLN N . 53392 1 139 . 1 . 1 30 30 MET H H 1 8.411 0.000 . . . . . . . 30 MET H . 53392 1 140 . 1 . 1 30 30 MET HA H 1 4.384 0.000 . . . . . . . 30 MET HA . 53392 1 141 . 1 . 1 30 30 MET HB2 H 1 1.953 0.000 . . . . . . . 30 MET HB2 . 53392 1 142 . 1 . 1 30 30 MET HB3 H 1 1.377 0.000 . . . . . . . 30 MET HB3 . 53392 1 143 . 1 . 1 30 30 MET HG2 H 1 2.391 0.000 . . . . . . . 30 MET HG2 . 53392 1 144 . 1 . 1 30 30 MET HG3 H 1 2.477 0.000 . . . . . . . 30 MET HG3 . 53392 1 145 . 1 . 1 30 30 MET C C 13 172.884 0.000 . . . . . . . 30 MET C . 53392 1 146 . 1 . 1 30 30 MET CA C 13 52.229 0.000 . . . . . . . 30 MET CA . 53392 1 147 . 1 . 1 30 30 MET CB C 13 29.783 0.000 . . . . . . . 30 MET CB . 53392 1 148 . 1 . 1 30 30 MET CG C 13 27.326 0.000 . . . . . . . 30 MET CG . 53392 1 149 . 1 . 1 30 30 MET N N 15 125.908 0.000 . . . . . . . 30 MET N . 53392 1 150 . 1 . 1 31 31 GLY H H 1 7.969 0.000 . . . . . . . 31 GLY H . 53392 1 151 . 1 . 1 31 31 GLY HA2 H 1 3.842 0.000 . . . . . . . 31 GLY HA2 . 53392 1 152 . 1 . 1 31 31 GLY HA3 H 1 3.812 0.000 . . . . . . . 31 GLY HA3 . 53392 1 153 . 1 . 1 31 31 GLY C C 13 170.846 0.000 . . . . . . . 31 GLY C . 53392 1 154 . 1 . 1 31 31 GLY CA C 13 43.074 0.000 . . . . . . . 31 GLY CA . 53392 1 155 . 1 . 1 31 31 GLY N N 15 116.430 0.000 . . . . . . . 31 GLY N . 53392 1 156 . 1 . 1 32 32 ARG H H 1 7.826 0.000 . . . . . . . 32 ARG H . 53392 1 157 . 1 . 1 32 32 ARG CA C 13 54.374 0.000 . . . . . . . 32 ARG CA . 53392 1 158 . 1 . 1 32 32 ARG CB C 13 27.530 0.000 . . . . . . . 32 ARG CB . 53392 1 159 . 1 . 1 32 32 ARG CG C 13 27.300 0.000 . . . . . . . 32 ARG CG . 53392 1 160 . 1 . 1 32 32 ARG CD C 13 43.300 0.000 . . . . . . . 32 ARG CD . 53392 1 161 . 1 . 1 32 32 ARG N N 15 124.637 0.000 . . . . . . . 32 ARG N . 53392 1 162 . 1 . 1 34 34 SER C C 13 173.056 0.000 . . . . . . . 34 SER C . 53392 1 163 . 1 . 1 34 34 SER CA C 13 55.527 0.000 . . . . . . . 34 SER CA . 53392 1 164 . 1 . 1 34 34 SER CB C 13 61.159 0.000 . . . . . . . 34 SER CB . 53392 1 165 . 1 . 1 35 35 MET H H 1 8.396 0.000 . . . . . . . 35 MET H . 53392 1 166 . 1 . 1 35 35 MET HA H 1 4.238 0.000 . . . . . . . 35 MET HA . 53392 1 167 . 1 . 1 35 35 MET HB2 H 1 1.660 0.000 . . . . . . . 35 MET HB2 . 53392 1 168 . 1 . 1 35 35 MET HB3 H 1 1.660 0.000 . . . . . . . 35 MET HB3 . 53392 1 169 . 1 . 1 35 35 MET HG2 H 1 2.210 0.000 . . . . . . . 35 MET HG2 . 53392 1 170 . 1 . 1 35 35 MET HG3 H 1 2.280 0.000 . . . . . . . 35 MET HG3 . 53392 1 171 . 1 . 1 35 35 MET C C 13 172.434 0.000 . . . . . . . 35 MET C . 53392 1 172 . 1 . 1 35 35 MET CA C 13 52.711 0.000 . . . . . . . 35 MET CA . 53392 1 173 . 1 . 1 35 35 MET CB C 13 29.702 0.000 . . . . . . . 35 MET CB . 53392 1 174 . 1 . 1 35 35 MET CG C 13 27.302 0.000 . . . . . . . 35 MET CG . 53392 1 175 . 1 . 1 35 35 MET N N 15 122.347 0.000 . . . . . . . 35 MET N . 53392 1 176 . 1 . 1 36 36 TYR H H 1 7.876 0.000 . . . . . . . 36 TYR H . 53392 1 177 . 1 . 1 36 36 TYR C C 13 171.833 0.000 . . . . . . . 36 TYR C . 53392 1 178 . 1 . 1 36 36 TYR CA C 13 54.883 0.000 . . . . . . . 36 TYR CA . 53392 1 179 . 1 . 1 36 36 TYR CB C 13 35.977 0.000 . . . . . . . 36 TYR CB . 53392 1 180 . 1 . 1 36 36 TYR N N 15 120.314 0.000 . . . . . . . 36 TYR N . 53392 1 181 . 1 . 1 37 37 PHE H H 1 7.856 0.000 . . . . . . . 37 PHE H . 53392 1 182 . 1 . 1 37 37 PHE C C 13 172.133 0.000 . . . . . . . 37 PHE C . 53392 1 183 . 1 . 1 37 37 PHE CA C 13 54.642 0.000 . . . . . . . 37 PHE CA . 53392 1 184 . 1 . 1 37 37 PHE CB C 13 35.897 0.000 . . . . . . . 37 PHE CB . 53392 1 185 . 1 . 1 37 37 PHE N N 15 121.672 0.000 . . . . . . . 37 PHE N . 53392 1 186 . 1 . 1 38 38 GLU H H 1 7.670 0.000 . . . . . . . 38 GLU H . 53392 1 187 . 1 . 1 38 38 GLU HA H 1 4.167 0.000 . . . . . . . 38 GLU HA . 53392 1 188 . 1 . 1 38 38 GLU HB2 H 1 1.929 0.000 . . . . . . . 38 GLU HB2 . 53392 1 189 . 1 . 1 38 38 GLU HB3 H 1 2.063 0.000 . . . . . . . 38 GLU HB3 . 53392 1 190 . 1 . 1 38 38 GLU HG2 H 1 2.246 0.000 . . . . . . . 38 GLU HG2 . 53392 1 191 . 1 . 1 38 38 GLU HG3 H 1 2.246 0.000 . . . . . . . 38 GLU HG3 . 53392 1 192 . 1 . 1 38 38 GLU C C 13 173.571 0.000 . . . . . . . 38 GLU C . 53392 1 193 . 1 . 1 38 38 GLU CA C 13 53.998 0.000 . . . . . . . 38 GLU CA . 53392 1 194 . 1 . 1 38 38 GLU CB C 13 27.450 0.000 . . . . . . . 38 GLU CB . 53392 1 195 . 1 . 1 38 38 GLU CG C 13 36.300 0.000 . . . . . . . 38 GLU CG . 53392 1 196 . 1 . 1 38 38 GLU N N 15 120.530 0.000 . . . . . . . 38 GLU N . 53392 1 197 . 1 . 1 39 39 GLU H H 1 8.590 0.000 . . . . . . . 39 GLU H . 53392 1 198 . 1 . 1 39 39 GLU HA H 1 4.175 0.000 . . . . . . . 39 GLU HA . 53392 1 199 . 1 . 1 39 39 GLU HB2 H 1 1.971 0.000 . . . . . . . 39 GLU HB2 . 53392 1 200 . 1 . 1 39 39 GLU HB3 H 1 1.971 0.000 . . . . . . . 39 GLU HB3 . 53392 1 201 . 1 . 1 39 39 GLU HG2 H 1 2.313 0.000 . . . . . . . 39 GLU HG2 . 53392 1 202 . 1 . 1 39 39 GLU HG3 H 1 2.228 0.000 . . . . . . . 39 GLU HG3 . 53392 1 203 . 1 . 1 39 39 GLU C C 13 174.836 0.000 . . . . . . . 39 GLU C . 53392 1 204 . 1 . 1 39 39 GLU CA C 13 55.125 0.000 . . . . . . . 39 GLU CA . 53392 1 205 . 1 . 1 39 39 GLU CB C 13 26.565 0.000 . . . . . . . 39 GLU CB . 53392 1 206 . 1 . 1 39 39 GLU CG C 13 36.300 0.000 . . . . . . . 39 GLU CG . 53392 1 207 . 1 . 1 39 39 GLU N N 15 122.997 0.000 . . . . . . . 39 GLU N . 53392 1 208 . 1 . 1 40 40 GLY H H 1 8.917 0.000 . . . . . . . 40 GLY H . 53392 1 209 . 1 . 1 40 40 GLY HA2 H 1 4.042 0.000 . . . . . . . 40 GLY HA2 . 53392 1 210 . 1 . 1 40 40 GLY HA3 H 1 3.691 0.000 . . . . . . . 40 GLY HA3 . 53392 1 211 . 1 . 1 40 40 GLY C C 13 171.103 0.000 . . . . . . . 40 GLY C . 53392 1 212 . 1 . 1 40 40 GLY CA C 13 42.896 0.000 . . . . . . . 40 GLY CA . 53392 1 213 . 1 . 1 40 40 GLY N N 15 111.597 0.000 . . . . . . . 40 GLY N . 53392 1 214 . 1 . 1 41 41 ARG H H 1 7.552 0.000 . . . . . . . 41 ARG H . 53392 1 215 . 1 . 1 41 41 ARG HA H 1 4.192 0.000 . . . . . . . 41 ARG HA . 53392 1 216 . 1 . 1 41 41 ARG HB2 H 1 2.221 0.000 . . . . . . . 41 ARG HB2 . 53392 1 217 . 1 . 1 41 41 ARG HB3 H 1 1.762 0.000 . . . . . . . 41 ARG HB3 . 53392 1 218 . 1 . 1 41 41 ARG HG2 H 1 1.495 0.000 . . . . . . . 41 ARG HG2 . 53392 1 219 . 1 . 1 41 41 ARG HG3 H 1 1.495 0.000 . . . . . . . 41 ARG HG3 . 53392 1 220 . 1 . 1 41 41 ARG HD2 H 1 3.081 0.000 . . . . . . . 41 ARG HD2 . 53392 1 221 . 1 . 1 41 41 ARG HD3 H 1 3.148 0.000 . . . . . . . 41 ARG HD3 . 53392 1 222 . 1 . 1 41 41 ARG C C 13 172.203 0.000 . . . . . . . 41 ARG C . 53392 1 223 . 1 . 1 41 41 ARG CA C 13 52.872 0.000 . . . . . . . 41 ARG CA . 53392 1 224 . 1 . 1 41 41 ARG CB C 13 28.093 0.000 . . . . . . . 41 ARG CB . 53392 1 225 . 1 . 1 41 41 ARG CG C 13 26.460 0.000 . . . . . . . 41 ARG CG . 53392 1 226 . 1 . 1 41 41 ARG CD C 13 39.268 0.000 . . . . . . . 41 ARG CD . 53392 1 227 . 1 . 1 41 41 ARG N N 15 120.527 0.000 . . . . . . . 41 ARG N . 53392 1 228 . 1 . 1 42 42 LEU H H 1 8.159 0.000 . . . . . . . 42 LEU H . 53392 1 229 . 1 . 1 42 42 LEU HA H 1 4.735 0.000 . . . . . . . 42 LEU HA . 53392 1 230 . 1 . 1 42 42 LEU HB2 H 1 1.545 0.000 . . . . . . . 42 LEU HB2 . 53392 1 231 . 1 . 1 42 42 LEU HB3 H 1 1.637 0.000 . . . . . . . 42 LEU HB3 . 53392 1 232 . 1 . 1 42 42 LEU HG H 1 1.545 0.000 . . . . . . . 42 LEU HG . 53392 1 233 . 1 . 1 42 42 LEU HD11 H 1 0.426 0.000 . . . . . . . 42 LEU HD1 . 53392 1 234 . 1 . 1 42 42 LEU HD12 H 1 0.426 0.000 . . . . . . . 42 LEU HD1 . 53392 1 235 . 1 . 1 42 42 LEU HD13 H 1 0.426 0.000 . . . . . . . 42 LEU HD1 . 53392 1 236 . 1 . 1 42 42 LEU HD21 H 1 0.994 0.000 . . . . . . . 42 LEU HD2 . 53392 1 237 . 1 . 1 42 42 LEU HD22 H 1 0.994 0.000 . . . . . . . 42 LEU HD2 . 53392 1 238 . 1 . 1 42 42 LEU HD23 H 1 0.994 0.000 . . . . . . . 42 LEU HD2 . 53392 1 239 . 1 . 1 42 42 LEU C C 13 174.562 0.000 . . . . . . . 42 LEU C . 53392 1 240 . 1 . 1 42 42 LEU CA C 13 50.798 0.000 . . . . . . . 42 LEU CA . 53392 1 241 . 1 . 1 42 42 LEU CB C 13 41.787 0.000 . . . . . . . 42 LEU CB . 53392 1 242 . 1 . 1 42 42 LEU CG C 13 27.000 0.000 . . . . . . . 42 LEU CG . 53392 1 243 . 1 . 1 42 42 LEU CD1 C 13 18.674 0.000 . . . . . . . 42 LEU CD1 . 53392 1 244 . 1 . 1 42 42 LEU CD2 C 13 20.498 0.000 . . . . . . . 42 LEU CD2 . 53392 1 245 . 1 . 1 42 42 LEU N N 15 122.032 0.000 . . . . . . . 42 LEU N . 53392 1 246 . 1 . 1 43 43 PHE H H 1 9.012 0.000 . . . . . . . 43 PHE H . 53392 1 247 . 1 . 1 43 43 PHE HA H 1 5.219 0.000 . . . . . . . 43 PHE HA . 53392 1 248 . 1 . 1 43 43 PHE HB2 H 1 2.772 0.000 . . . . . . . 43 PHE HB2 . 53392 1 249 . 1 . 1 43 43 PHE HB3 H 1 2.547 0.000 . . . . . . . 43 PHE HB3 . 53392 1 250 . 1 . 1 43 43 PHE C C 13 173.034 0.000 . . . . . . . 43 PHE C . 53392 1 251 . 1 . 1 43 43 PHE CA C 13 53.338 0.000 . . . . . . . 43 PHE CA . 53392 1 252 . 1 . 1 43 43 PHE CB C 13 39.195 0.000 . . . . . . . 43 PHE CB . 53392 1 253 . 1 . 1 43 43 PHE N N 15 117.758 0.000 . . . . . . . 43 PHE N . 53392 1 254 . 1 . 1 44 44 PHE H H 1 9.455 0.000 . . . . . . . 44 PHE H . 53392 1 255 . 1 . 1 44 44 PHE HA H 1 5.147 0.000 . . . . . . . 44 PHE HA . 53392 1 256 . 1 . 1 44 44 PHE HB2 H 1 2.885 0.000 . . . . . . . 44 PHE HB2 . 53392 1 257 . 1 . 1 44 44 PHE HB3 H 1 2.970 0.000 . . . . . . . 44 PHE HB3 . 53392 1 258 . 1 . 1 44 44 PHE C C 13 173.871 0.000 . . . . . . . 44 PHE C . 53392 1 259 . 1 . 1 44 44 PHE CA C 13 54.159 0.000 . . . . . . . 44 PHE CA . 53392 1 260 . 1 . 1 44 44 PHE CB C 13 38.632 0.000 . . . . . . . 44 PHE CB . 53392 1 261 . 1 . 1 44 44 PHE N N 15 117.690 0.000 . . . . . . . 44 PHE N . 53392 1 262 . 1 . 1 45 45 ILE H H 1 9.925 0.000 . . . . . . . 45 ILE H . 53392 1 263 . 1 . 1 45 45 ILE HA H 1 4.086 0.000 . . . . . . . 45 ILE HA . 53392 1 264 . 1 . 1 45 45 ILE HB H 1 1.823 0.000 . . . . . . . 45 ILE HB . 53392 1 265 . 1 . 1 45 45 ILE HG12 H 1 1.421 0.000 . . . . . . . 45 ILE HG12 . 53392 1 266 . 1 . 1 45 45 ILE HG13 H 1 1.343 0.000 . . . . . . . 45 ILE HG13 . 53392 1 267 . 1 . 1 45 45 ILE HG21 H 1 0.917 0.000 . . . . . . . 45 ILE HG2 . 53392 1 268 . 1 . 1 45 45 ILE HG22 H 1 0.917 0.000 . . . . . . . 45 ILE HG2 . 53392 1 269 . 1 . 1 45 45 ILE HG23 H 1 0.917 0.000 . . . . . . . 45 ILE HG2 . 53392 1 270 . 1 . 1 45 45 ILE HD11 H 1 0.809 0.000 . . . . . . . 45 ILE HD1 . 53392 1 271 . 1 . 1 45 45 ILE HD12 H 1 0.809 0.000 . . . . . . . 45 ILE HD1 . 53392 1 272 . 1 . 1 45 45 ILE HD13 H 1 0.809 0.000 . . . . . . . 45 ILE HD1 . 53392 1 273 . 1 . 1 45 45 ILE C C 13 173.120 0.000 . . . . . . . 45 ILE C . 53392 1 274 . 1 . 1 45 45 ILE CA C 13 59.710 0.000 . . . . . . . 45 ILE CA . 53392 1 275 . 1 . 1 45 45 ILE CB C 13 37.023 0.000 . . . . . . . 45 ILE CB . 53392 1 276 . 1 . 1 45 45 ILE CG1 C 13 23.072 0.000 . . . . . . . 45 ILE CG1 . 53392 1 277 . 1 . 1 45 45 ILE CG2 C 13 17.500 0.000 . . . . . . . 45 ILE CG2 . 53392 1 278 . 1 . 1 45 45 ILE CD1 C 13 12.955 0.000 . . . . . . . 45 ILE CD1 . 53392 1 279 . 1 . 1 45 45 ILE N N 15 124.486 0.000 . . . . . . . 45 ILE N . 53392 1 280 . 1 . 1 46 46 LYS H H 1 8.287 0.000 . . . . . . . 46 LYS H . 53392 1 281 . 1 . 1 46 46 LYS HA H 1 4.267 0.000 . . . . . . . 46 LYS HA . 53392 1 282 . 1 . 1 46 46 LYS C C 13 171.125 0.000 . . . . . . . 46 LYS C . 53392 1 283 . 1 . 1 46 46 LYS CA C 13 55.527 0.000 . . . . . . . 46 LYS CA . 53392 1 284 . 1 . 1 46 46 LYS CB C 13 36.600 0.000 . . . . . . . 46 LYS CB . 53392 1 285 . 1 . 1 46 46 LYS CG C 13 25.100 0.000 . . . . . . . 46 LYS CG . 53392 1 286 . 1 . 1 46 46 LYS CD C 13 29.100 0.000 . . . . . . . 46 LYS CD . 53392 1 287 . 1 . 1 46 46 LYS CE C 13 42.000 0.000 . . . . . . . 46 LYS CE . 53392 1 288 . 1 . 1 46 46 LYS N N 15 130.137 0.000 . . . . . . . 46 LYS N . 53392 1 289 . 1 . 1 47 47 SER H H 1 7.979 0.000 . . . . . . . 47 SER H . 53392 1 290 . 1 . 1 47 47 SER HB2 H 1 3.797 0.000 . . . . . . . 47 SER HB2 . 53392 1 291 . 1 . 1 47 47 SER HB3 H 1 2.921 0.000 . . . . . . . 47 SER HB3 . 53392 1 292 . 1 . 1 47 47 SER C C 13 175.695 0.000 . . . . . . . 47 SER C . 53392 1 293 . 1 . 1 47 47 SER CA C 13 55.929 0.000 . . . . . . . 47 SER CA . 53392 1 294 . 1 . 1 47 47 SER CB C 13 61.239 0.000 . . . . . . . 47 SER CB . 53392 1 295 . 1 . 1 47 47 SER N N 15 116.825 0.000 . . . . . . . 47 SER N . 53392 1 296 . 1 . 1 48 48 GLN H H 1 8.531 0.000 . . . . . . . 48 GLN H . 53392 1 297 . 1 . 1 48 48 GLN HA H 1 3.966 0.000 . . . . . . . 48 GLN HA . 53392 1 298 . 1 . 1 48 48 GLN HB2 H 1 2.046 0.000 . . . . . . . 48 GLN HB2 . 53392 1 299 . 1 . 1 48 48 GLN HB3 H 1 1.787 0.000 . . . . . . . 48 GLN HB3 . 53392 1 300 . 1 . 1 48 48 GLN HG2 H 1 2.180 0.000 . . . . . . . 48 GLN HG2 . 53392 1 301 . 1 . 1 48 48 GLN HG3 H 1 2.046 0.000 . . . . . . . 48 GLN HG3 . 53392 1 302 . 1 . 1 48 48 GLN C C 13 172.734 0.000 . . . . . . . 48 GLN C . 53392 1 303 . 1 . 1 48 48 GLN CA C 13 55.447 0.000 . . . . . . . 48 GLN CA . 53392 1 304 . 1 . 1 48 48 GLN CB C 13 25.161 0.000 . . . . . . . 48 GLN CB . 53392 1 305 . 1 . 1 48 48 GLN CG C 13 29.848 0.000 . . . . . . . 48 GLN CG . 53392 1 306 . 1 . 1 48 48 GLN N N 15 128.666 0.000 . . . . . . . 48 GLN N . 53392 1 307 . 1 . 1 49 49 PHE H H 1 8.017 0.000 . . . . . . . 49 PHE H . 53392 1 308 . 1 . 1 49 49 PHE HA H 1 4.269 0.000 . . . . . . . 49 PHE HA . 53392 1 309 . 1 . 1 49 49 PHE HB2 H 1 2.589 0.000 . . . . . . . 49 PHE HB2 . 53392 1 310 . 1 . 1 49 49 PHE HB3 H 1 2.541 0.000 . . . . . . . 49 PHE HB3 . 53392 1 311 . 1 . 1 49 49 PHE C C 13 172.927 0.000 . . . . . . . 49 PHE C . 53392 1 312 . 1 . 1 49 49 PHE CA C 13 54.562 0.000 . . . . . . . 49 PHE CA . 53392 1 313 . 1 . 1 49 49 PHE CB C 13 35.334 0.000 . . . . . . . 49 PHE CB . 53392 1 314 . 1 . 1 49 49 PHE N N 15 120.006 0.000 . . . . . . . 49 PHE N . 53392 1 315 . 1 . 1 50 50 ASN H H 1 6.605 0.000 . . . . . . . 50 ASN H . 53392 1 316 . 1 . 1 50 50 ASN HA H 1 4.373 0.000 . . . . . . . 50 ASN HA . 53392 1 317 . 1 . 1 50 50 ASN HB2 H 1 2.871 0.000 . . . . . . . 50 ASN HB2 . 53392 1 318 . 1 . 1 50 50 ASN HB3 H 1 1.480 0.000 . . . . . . . 50 ASN HB3 . 53392 1 319 . 1 . 1 50 50 ASN C C 13 173.620 0.000 . . . . . . . 50 ASN C . 53392 1 320 . 1 . 1 50 50 ASN CA C 13 48.447 0.000 . . . . . . . 50 ASN CA . 53392 1 321 . 1 . 1 50 50 ASN CB C 13 36.702 0.000 . . . . . . . 50 ASN CB . 53392 1 322 . 1 . 1 50 50 ASN N N 15 111.146 0.000 . . . . . . . 50 ASN N . 53392 1 323 . 1 . 1 51 51 GLY H H 1 7.574 0.000 . . . . . . . 51 GLY H . 53392 1 324 . 1 . 1 51 51 GLY HA2 H 1 3.958 0.000 . . . . . . . 51 GLY HA2 . 53392 1 325 . 1 . 1 51 51 GLY HA3 H 1 3.641 0.000 . . . . . . . 51 GLY HA3 . 53392 1 326 . 1 . 1 51 51 GLY C C 13 171.940 0.000 . . . . . . . 51 GLY C . 53392 1 327 . 1 . 1 51 51 GLY CA C 13 43.296 0.000 . . . . . . . 51 GLY CA . 53392 1 328 . 1 . 1 51 51 GLY N N 15 106.579 0.000 . . . . . . . 51 GLY N . 53392 1 329 . 1 . 1 52 52 ARG H H 1 7.508 0.000 . . . . . . . 52 ARG H . 53392 1 330 . 1 . 1 52 52 ARG HA H 1 4.199 0.000 . . . . . . . 52 ARG HA . 53392 1 331 . 1 . 1 52 52 ARG HG2 H 1 1.540 0.000 . . . . . . . 52 ARG HG2 . 53392 1 332 . 1 . 1 52 52 ARG HG3 H 1 1.540 0.000 . . . . . . . 52 ARG HG3 . 53392 1 333 . 1 . 1 52 52 ARG HD2 H 1 2.666 0.000 . . . . . . . 52 ARG HD2 . 53392 1 334 . 1 . 1 52 52 ARG HD3 H 1 2.627 0.000 . . . . . . . 52 ARG HD3 . 53392 1 335 . 1 . 1 52 52 ARG C C 13 171.300 0.000 . . . . . . . 52 ARG C . 53392 1 336 . 1 . 1 52 52 ARG CA C 13 54.562 0.000 . . . . . . . 52 ARG CA . 53392 1 337 . 1 . 1 52 52 ARG CB C 13 27.852 0.000 . . . . . . . 52 ARG CB . 53392 1 338 . 1 . 1 52 52 ARG CG C 13 25.861 0.000 . . . . . . . 52 ARG CG . 53392 1 339 . 1 . 1 52 52 ARG CD C 13 43.300 0.000 . . . . . . . 52 ARG CD . 53392 1 340 . 1 . 1 52 52 ARG N N 15 120.218 0.000 . . . . . . . 52 ARG N . 53392 1 341 . 1 . 1 53 53 VAL H H 1 8.963 0.000 . . . . . . . 53 VAL H . 53392 1 342 . 1 . 1 53 53 VAL HA H 1 4.434 0.000 . . . . . . . 53 VAL HA . 53392 1 343 . 1 . 1 53 53 VAL CA C 13 55.929 0.000 . . . . . . . 53 VAL CA . 53392 1 344 . 1 . 1 53 53 VAL CB C 13 29.863 0.000 . . . . . . . 53 VAL CB . 53392 1 345 . 1 . 1 53 53 VAL CG1 C 13 21.000 0.000 . . . . . . . 53 VAL CG1 . 53392 1 346 . 1 . 1 53 53 VAL CG2 C 13 21.600 0.000 . . . . . . . 53 VAL CG2 . 53392 1 347 . 1 . 1 53 53 VAL N N 15 110.866 0.000 . . . . . . . 53 VAL N . 53392 1 348 . 1 . 1 54 54 LEU H H 1 7.981 0.000 . . . . . . . 54 LEU H . 53392 1 349 . 1 . 1 54 54 LEU HA H 1 4.484 0.000 . . . . . . . 54 LEU HA . 53392 1 350 . 1 . 1 54 54 LEU HB2 H 1 1.194 0.000 . . . . . . . 54 LEU HB2 . 53392 1 351 . 1 . 1 54 54 LEU HB3 H 1 1.120 0.000 . . . . . . . 54 LEU HB3 . 53392 1 352 . 1 . 1 54 54 LEU HG H 1 1.194 0.000 . . . . . . . 54 LEU HG . 53392 1 353 . 1 . 1 54 54 LEU HD21 H 1 -0.284 0.000 . . . . . . . 54 LEU HD2 . 53392 1 354 . 1 . 1 54 54 LEU HD22 H 1 -0.284 0.000 . . . . . . . 54 LEU HD2 . 53392 1 355 . 1 . 1 54 54 LEU HD23 H 1 -0.284 0.000 . . . . . . . 54 LEU HD2 . 53392 1 356 . 1 . 1 54 54 LEU C C 13 174.322 0.000 . . . . . . . 54 LEU C . 53392 1 357 . 1 . 1 54 54 LEU CA C 13 53.757 0.000 . . . . . . . 54 LEU CA . 53392 1 358 . 1 . 1 54 54 LEU CB C 13 40.080 0.000 . . . . . . . 54 LEU CB . 53392 1 359 . 1 . 1 54 54 LEU CG C 13 26.900 0.000 . . . . . . . 54 LEU CG . 53392 1 360 . 1 . 1 54 54 LEU CD1 C 13 18.665 0.000 . . . . . . . 54 LEU CD1 . 53392 1 361 . 1 . 1 54 54 LEU CD2 C 13 20.178 0.000 . . . . . . . 54 LEU CD2 . 53392 1 362 . 1 . 1 54 54 LEU N N 15 121.004 0.000 . . . . . . . 54 LEU N . 53392 1 363 . 1 . 1 55 55 ASP H H 1 9.321 0.000 . . . . . . . 55 ASP H . 53392 1 364 . 1 . 1 55 55 ASP HA H 1 5.039 0.000 . . . . . . . 55 ASP HA . 53392 1 365 . 1 . 1 55 55 ASP HB2 H 1 2.350 0.000 . . . . . . . 55 ASP HB2 . 53392 1 366 . 1 . 1 55 55 ASP HB3 H 1 2.401 0.000 . . . . . . . 55 ASP HB3 . 53392 1 367 . 1 . 1 55 55 ASP C C 13 170.739 0.000 . . . . . . . 55 ASP C . 53392 1 368 . 1 . 1 55 55 ASP CA C 13 48.608 0.000 . . . . . . . 55 ASP CA . 53392 1 369 . 1 . 1 55 55 ASP CB C 13 42.971 0.000 . . . . . . . 55 ASP CB . 53392 1 370 . 1 . 1 55 55 ASP N N 15 126.090 0.000 . . . . . . . 55 ASP N . 53392 1 371 . 1 . 1 56 56 VAL H H 1 9.788 0.000 . . . . . . . 56 VAL H . 53392 1 372 . 1 . 1 56 56 VAL HA H 1 4.372 0.000 . . . . . . . 56 VAL HA . 53392 1 373 . 1 . 1 56 56 VAL HB H 1 1.521 0.000 . . . . . . . 56 VAL HB . 53392 1 374 . 1 . 1 56 56 VAL HG11 H 1 0.747 0.000 . . . . . . . 56 VAL HG1 . 53392 1 375 . 1 . 1 56 56 VAL HG12 H 1 0.747 0.000 . . . . . . . 56 VAL HG1 . 53392 1 376 . 1 . 1 56 56 VAL HG13 H 1 0.747 0.000 . . . . . . . 56 VAL HG1 . 53392 1 377 . 1 . 1 56 56 VAL HG21 H 1 0.654 0.000 . . . . . . . 56 VAL HG2 . 53392 1 378 . 1 . 1 56 56 VAL HG22 H 1 0.654 0.000 . . . . . . . 56 VAL HG2 . 53392 1 379 . 1 . 1 56 56 VAL HG23 H 1 0.654 0.000 . . . . . . . 56 VAL HG2 . 53392 1 380 . 1 . 1 56 56 VAL C C 13 174.687 0.000 . . . . . . . 56 VAL C . 53392 1 381 . 1 . 1 56 56 VAL CA C 13 58.262 0.000 . . . . . . . 56 VAL CA . 53392 1 382 . 1 . 1 56 56 VAL CB C 13 31.070 0.000 . . . . . . . 56 VAL CB . 53392 1 383 . 1 . 1 56 56 VAL CG1 C 13 21.100 0.000 . . . . . . . 56 VAL CG1 . 53392 1 384 . 1 . 1 56 56 VAL CG2 C 13 17.403 0.000 . . . . . . . 56 VAL CG2 . 53392 1 385 . 1 . 1 56 56 VAL N N 15 122.168 0.000 . . . . . . . 56 VAL N . 53392 1 386 . 1 . 1 57 57 GLU H H 1 8.921 0.000 . . . . . . . 57 GLU H . 53392 1 387 . 1 . 1 57 57 GLU HA H 1 3.722 0.000 . . . . . . . 57 GLU HA . 53392 1 388 . 1 . 1 57 57 GLU HB2 H 1 1.912 0.000 . . . . . . . 57 GLU HB2 . 53392 1 389 . 1 . 1 57 57 GLU HB3 H 1 1.912 0.000 . . . . . . . 57 GLU HB3 . 53392 1 390 . 1 . 1 57 57 GLU HG2 H 1 2.131 0.000 . . . . . . . 57 GLU HG2 . 53392 1 391 . 1 . 1 57 57 GLU HG3 H 1 2.081 0.000 . . . . . . . 57 GLU HG3 . 53392 1 392 . 1 . 1 57 57 GLU C C 13 174.558 0.000 . . . . . . . 57 GLU C . 53392 1 393 . 1 . 1 57 57 GLU CA C 13 56.185 0.000 . . . . . . . 57 GLU CA . 53392 1 394 . 1 . 1 57 57 GLU CB C 13 26.967 0.000 . . . . . . . 57 GLU CB . 53392 1 395 . 1 . 1 57 57 GLU CG C 13 36.200 0.000 . . . . . . . 57 GLU CG . 53392 1 396 . 1 . 1 57 57 GLU N N 15 131.125 0.000 . . . . . . . 57 GLU N . 53392 1 397 . 1 . 1 58 58 ASP H H 1 9.384 0.000 . . . . . . . 58 ASP H . 53392 1 398 . 1 . 1 58 58 ASP HA H 1 4.152 0.000 . . . . . . . 58 ASP HA . 53392 1 399 . 1 . 1 58 58 ASP HB2 H 1 2.801 0.000 . . . . . . . 58 ASP HB2 . 53392 1 400 . 1 . 1 58 58 ASP HB3 H 1 2.601 0.000 . . . . . . . 58 ASP HB3 . 53392 1 401 . 1 . 1 58 58 ASP C C 13 173.249 0.000 . . . . . . . 58 ASP C . 53392 1 402 . 1 . 1 58 58 ASP CA C 13 53.194 0.000 . . . . . . . 58 ASP CA . 53392 1 403 . 1 . 1 58 58 ASP CB C 13 37.265 0.000 . . . . . . . 58 ASP CB . 53392 1 404 . 1 . 1 58 58 ASP N N 15 124.242 0.000 . . . . . . . 58 ASP N . 53392 1 405 . 1 . 1 59 59 GLY H H 1 8.613 0.000 . . . . . . . 59 GLY H . 53392 1 406 . 1 . 1 59 59 GLY HA2 H 1 3.249 0.000 . . . . . . . 59 GLY HA2 . 53392 1 407 . 1 . 1 59 59 GLY HA3 H 1 3.542 0.000 . . . . . . . 59 GLY HA3 . 53392 1 408 . 1 . 1 59 59 GLY C C 13 171.811 0.000 . . . . . . . 59 GLY C . 53392 1 409 . 1 . 1 59 59 GLY CA C 13 43.781 0.000 . . . . . . . 59 GLY CA . 53392 1 410 . 1 . 1 59 59 GLY N N 15 108.987 0.000 . . . . . . . 59 GLY N . 53392 1 411 . 1 . 1 60 60 SER H H 1 6.817 0.000 . . . . . . . 60 SER H . 53392 1 412 . 1 . 1 60 60 SER HB2 H 1 4.002 0.000 . . . . . . . 60 SER HB2 . 53392 1 413 . 1 . 1 60 60 SER HB3 H 1 4.002 0.000 . . . . . . . 60 SER HB3 . 53392 1 414 . 1 . 1 60 60 SER C C 13 173.189 0.000 . . . . . . . 60 SER C . 53392 1 415 . 1 . 1 60 60 SER CA C 13 55.088 0.000 . . . . . . . 60 SER CA . 53392 1 416 . 1 . 1 60 60 SER CB C 13 61.239 0.000 . . . . . . . 60 SER CB . 53392 1 417 . 1 . 1 60 60 SER N N 15 109.841 0.000 . . . . . . . 60 SER N . 53392 1 418 . 1 . 1 61 61 THR H H 1 8.586 0.000 . . . . . . . 61 THR H . 53392 1 419 . 1 . 1 61 61 THR HA H 1 5.130 0.000 . . . . . . . 61 THR HA . 53392 1 420 . 1 . 1 61 61 THR HB H 1 4.058 0.000 . . . . . . . 61 THR HB . 53392 1 421 . 1 . 1 61 61 THR HG21 H 1 0.900 0.000 . . . . . . . 61 THR HG2 . 53392 1 422 . 1 . 1 61 61 THR HG22 H 1 0.900 0.000 . . . . . . . 61 THR HG2 . 53392 1 423 . 1 . 1 61 61 THR HG23 H 1 0.900 0.000 . . . . . . . 61 THR HG2 . 53392 1 424 . 1 . 1 61 61 THR C C 13 171.296 0.000 . . . . . . . 61 THR C . 53392 1 425 . 1 . 1 61 61 THR CA C 13 57.985 0.000 . . . . . . . 61 THR CA . 53392 1 426 . 1 . 1 61 61 THR CB C 13 64.957 0.000 . . . . . . . 61 THR CB . 53392 1 427 . 1 . 1 61 61 THR CG2 C 13 20.935 0.000 . . . . . . . 61 THR CG2 . 53392 1 428 . 1 . 1 61 61 THR N N 15 115.252 0.000 . . . . . . . 61 THR N . 53392 1 429 . 1 . 1 62 62 GLU H H 1 8.269 0.000 . . . . . . . 62 GLU H . 53392 1 430 . 1 . 1 62 62 GLU CA C 13 52.931 0.000 . . . . . . . 62 GLU CA . 53392 1 431 . 1 . 1 62 62 GLU CB C 13 28.939 0.000 . . . . . . . 62 GLU CB . 53392 1 432 . 1 . 1 62 62 GLU N N 15 119.710 0.000 . . . . . . . 62 GLU N . 53392 1 433 . 1 . 1 63 63 ASP HA H 1 4.200 0.000 . . . . . . . 63 ASP HA . 53392 1 434 . 1 . 1 63 63 ASP HB3 H 1 2.241 0.000 . . . . . . . 63 ASP HB3 . 53392 1 435 . 1 . 1 63 63 ASP C C 13 175.032 0.000 . . . . . . . 63 ASP C . 53392 1 436 . 1 . 1 63 63 ASP CA C 13 53.372 0.000 . . . . . . . 63 ASP CA . 53392 1 437 . 1 . 1 63 63 ASP CB C 13 38.311 0.000 . . . . . . . 63 ASP CB . 53392 1 438 . 1 . 1 64 64 ASP H H 1 9.317 0.000 . . . . . . . 64 ASP H . 53392 1 439 . 1 . 1 64 64 ASP HA H 1 4.551 0.000 . . . . . . . 64 ASP HA . 53392 1 440 . 1 . 1 64 64 ASP HB2 H 1 2.421 0.000 . . . . . . . 64 ASP HB2 . 53392 1 441 . 1 . 1 64 64 ASP HB3 H 1 3.173 0.000 . . . . . . . 64 ASP HB3 . 53392 1 442 . 1 . 1 64 64 ASP C C 13 171.726 0.000 . . . . . . . 64 ASP C . 53392 1 443 . 1 . 1 64 64 ASP CA C 13 53.341 0.000 . . . . . . . 64 ASP CA . 53392 1 444 . 1 . 1 64 64 ASP CB C 13 39.115 0.000 . . . . . . . 64 ASP CB . 53392 1 445 . 1 . 1 64 64 ASP N N 15 116.366 0.000 . . . . . . . 64 ASP N . 53392 1 446 . 1 . 1 65 65 ALA H H 1 6.907 0.000 . . . . . . . 65 ALA H . 53392 1 447 . 1 . 1 65 65 ALA HA H 1 4.184 0.000 . . . . . . . 65 ALA HA . 53392 1 448 . 1 . 1 65 65 ALA HB1 H 1 1.269 0.000 . . . . . . . 65 ALA HB . 53392 1 449 . 1 . 1 65 65 ALA HB2 H 1 1.269 0.000 . . . . . . . 65 ALA HB . 53392 1 450 . 1 . 1 65 65 ALA HB3 H 1 1.269 0.000 . . . . . . . 65 ALA HB . 53392 1 451 . 1 . 1 65 65 ALA C C 13 173.810 0.000 . . . . . . . 65 ALA C . 53392 1 452 . 1 . 1 65 65 ALA CA C 13 49.252 0.000 . . . . . . . 65 ALA CA . 53392 1 453 . 1 . 1 65 65 ALA CB C 13 16.669 0.000 . . . . . . . 65 ALA CB . 53392 1 454 . 1 . 1 65 65 ALA N N 15 120.392 0.000 . . . . . . . 65 ALA N . 53392 1 455 . 1 . 1 66 66 ASN H H 1 8.609 0.000 . . . . . . . 66 ASN H . 53392 1 456 . 1 . 1 66 66 ASN HA H 1 4.543 0.000 . . . . . . . 66 ASN HA . 53392 1 457 . 1 . 1 66 66 ASN HB2 H 1 2.480 0.000 . . . . . . . 66 ASN HB2 . 53392 1 458 . 1 . 1 66 66 ASN HB3 H 1 2.589 0.000 . . . . . . . 66 ASN HB3 . 53392 1 459 . 1 . 1 66 66 ASN C C 13 171.354 0.000 . . . . . . . 66 ASN C . 53392 1 460 . 1 . 1 66 66 ASN CA C 13 51.826 0.000 . . . . . . . 66 ASN CA . 53392 1 461 . 1 . 1 66 66 ASN CB C 13 35.495 0.000 . . . . . . . 66 ASN CB . 53392 1 462 . 1 . 1 66 66 ASN N N 15 118.365 0.000 . . . . . . . 66 ASN N . 53392 1 463 . 1 . 1 67 67 ILE H H 1 8.011 0.000 . . . . . . . 67 ILE H . 53392 1 464 . 1 . 1 67 67 ILE HA H 1 3.832 0.000 . . . . . . . 67 ILE HA . 53392 1 465 . 1 . 1 67 67 ILE HB H 1 1.670 0.000 . . . . . . . 67 ILE HB . 53392 1 466 . 1 . 1 67 67 ILE HG12 H 1 1.383 0.000 . . . . . . . 67 ILE HG12 . 53392 1 467 . 1 . 1 67 67 ILE HG13 H 1 1.032 0.000 . . . . . . . 67 ILE HG13 . 53392 1 468 . 1 . 1 67 67 ILE HG21 H 1 0.714 0.000 . . . . . . . 67 ILE HG2 . 53392 1 469 . 1 . 1 67 67 ILE HG22 H 1 0.714 0.000 . . . . . . . 67 ILE HG2 . 53392 1 470 . 1 . 1 67 67 ILE HG23 H 1 0.714 0.000 . . . . . . . 67 ILE HG2 . 53392 1 471 . 1 . 1 67 67 ILE HD11 H 1 0.453 0.000 . . . . . . . 67 ILE HD1 . 53392 1 472 . 1 . 1 67 67 ILE HD12 H 1 0.453 0.000 . . . . . . . 67 ILE HD1 . 53392 1 473 . 1 . 1 67 67 ILE HD13 H 1 0.453 0.000 . . . . . . . 67 ILE HD1 . 53392 1 474 . 1 . 1 67 67 ILE C C 13 172.434 0.000 . . . . . . . 67 ILE C . 53392 1 475 . 1 . 1 67 67 ILE CA C 13 55.044 0.000 . . . . . . . 67 ILE CA . 53392 1 476 . 1 . 1 67 67 ILE CB C 13 31.150 0.000 . . . . . . . 67 ILE CB . 53392 1 477 . 1 . 1 67 67 ILE CG1 C 13 27.200 0.000 . . . . . . . 67 ILE CG1 . 53392 1 478 . 1 . 1 67 67 ILE CG2 C 13 21.488 0.000 . . . . . . . 67 ILE CG2 . 53392 1 479 . 1 . 1 67 67 ILE CD1 C 13 12.050 0.000 . . . . . . . 67 ILE CD1 . 53392 1 480 . 1 . 1 67 67 ILE N N 15 121.570 0.000 . . . . . . . 67 ILE N . 53392 1 481 . 1 . 1 68 68 ILE H H 1 8.300 0.000 . . . . . . . 68 ILE H . 53392 1 482 . 1 . 1 68 68 ILE HA H 1 5.203 0.000 . . . . . . . 68 ILE HA . 53392 1 483 . 1 . 1 68 68 ILE HB H 1 1.633 0.000 . . . . . . . 68 ILE HB . 53392 1 484 . 1 . 1 68 68 ILE HG12 H 1 2.211 0.000 . . . . . . . 68 ILE HG12 . 53392 1 485 . 1 . 1 68 68 ILE HG13 H 1 1.633 0.000 . . . . . . . 68 ILE HG13 . 53392 1 486 . 1 . 1 68 68 ILE HG21 H 1 0.690 0.000 . . . . . . . 68 ILE HG2 . 53392 1 487 . 1 . 1 68 68 ILE HG22 H 1 0.690 0.000 . . . . . . . 68 ILE HG2 . 53392 1 488 . 1 . 1 68 68 ILE HG23 H 1 0.690 0.000 . . . . . . . 68 ILE HG2 . 53392 1 489 . 1 . 1 68 68 ILE HD11 H 1 0.635 0.000 . . . . . . . 68 ILE HD1 . 53392 1 490 . 1 . 1 68 68 ILE HD12 H 1 0.635 0.000 . . . . . . . 68 ILE HD1 . 53392 1 491 . 1 . 1 68 68 ILE HD13 H 1 0.635 0.000 . . . . . . . 68 ILE HD1 . 53392 1 492 . 1 . 1 68 68 ILE C C 13 172.841 0.000 . . . . . . . 68 ILE C . 53392 1 493 . 1 . 1 68 68 ILE CA C 13 56.010 0.000 . . . . . . . 68 ILE CA . 53392 1 494 . 1 . 1 68 68 ILE CB C 13 40.393 0.000 . . . . . . . 68 ILE CB . 53392 1 495 . 1 . 1 68 68 ILE CG1 C 13 27.200 0.000 . . . . . . . 68 ILE CG1 . 53392 1 496 . 1 . 1 68 68 ILE CG2 C 13 21.319 0.000 . . . . . . . 68 ILE CG2 . 53392 1 497 . 1 . 1 68 68 ILE CD1 C 13 12.238 0.000 . . . . . . . 68 ILE CD1 . 53392 1 498 . 1 . 1 68 68 ILE N N 15 120.367 0.000 . . . . . . . 68 ILE N . 53392 1 499 . 1 . 1 69 69 VAL H H 1 7.882 0.000 . . . . . . . 69 VAL H . 53392 1 500 . 1 . 1 69 69 VAL HA H 1 5.607 0.000 . . . . . . . 69 VAL HA . 53392 1 501 . 1 . 1 69 69 VAL HB H 1 1.941 0.000 . . . . . . . 69 VAL HB . 53392 1 502 . 1 . 1 69 69 VAL HG11 H 1 1.008 0.000 . . . . . . . 69 VAL HG1 . 53392 1 503 . 1 . 1 69 69 VAL HG12 H 1 1.008 0.000 . . . . . . . 69 VAL HG1 . 53392 1 504 . 1 . 1 69 69 VAL HG13 H 1 1.008 0.000 . . . . . . . 69 VAL HG1 . 53392 1 505 . 1 . 1 69 69 VAL HG21 H 1 1.008 0.000 . . . . . . . 69 VAL HG2 . 53392 1 506 . 1 . 1 69 69 VAL HG22 H 1 1.008 0.000 . . . . . . . 69 VAL HG2 . 53392 1 507 . 1 . 1 69 69 VAL HG23 H 1 1.008 0.000 . . . . . . . 69 VAL HG2 . 53392 1 508 . 1 . 1 69 69 VAL C C 13 173.940 0.000 . . . . . . . 69 VAL C . 53392 1 509 . 1 . 1 69 69 VAL CA C 13 56.268 0.000 . . . . . . . 69 VAL CA . 53392 1 510 . 1 . 1 69 69 VAL CB C 13 31.392 0.000 . . . . . . . 69 VAL CB . 53392 1 511 . 1 . 1 69 69 VAL CG1 C 13 21.100 0.000 . . . . . . . 69 VAL CG1 . 53392 1 512 . 1 . 1 69 69 VAL CG2 C 13 17.235 0.000 . . . . . . . 69 VAL CG2 . 53392 1 513 . 1 . 1 69 69 VAL N N 15 107.653 0.000 . . . . . . . 69 VAL N . 53392 1 514 . 1 . 1 70 70 TYR H H 1 9.385 0.000 . . . . . . . 70 TYR H . 53392 1 515 . 1 . 1 70 70 TYR HA H 1 4.593 0.000 . . . . . . . 70 TYR HA . 53392 1 516 . 1 . 1 70 70 TYR HB2 H 1 2.881 0.000 . . . . . . . 70 TYR HB2 . 53392 1 517 . 1 . 1 70 70 TYR HB3 H 1 2.671 0.000 . . . . . . . 70 TYR HB3 . 53392 1 518 . 1 . 1 70 70 TYR C C 13 170.331 0.000 . . . . . . . 70 TYR C . 53392 1 519 . 1 . 1 70 70 TYR CA C 13 54.803 0.000 . . . . . . . 70 TYR CA . 53392 1 520 . 1 . 1 70 70 TYR CB C 13 42.414 0.000 . . . . . . . 70 TYR CB . 53392 1 521 . 1 . 1 70 70 TYR N N 15 123.692 0.000 . . . . . . . 70 TYR N . 53392 1 522 . 1 . 1 71 71 THR H H 1 7.066 0.000 . . . . . . . 71 THR H . 53392 1 523 . 1 . 1 71 71 THR HB H 1 3.807 0.000 . . . . . . . 71 THR HB . 53392 1 524 . 1 . 1 71 71 THR HG21 H 1 1.087 0.000 . . . . . . . 71 THR HG2 . 53392 1 525 . 1 . 1 71 71 THR HG22 H 1 1.087 0.000 . . . . . . . 71 THR HG2 . 53392 1 526 . 1 . 1 71 71 THR HG23 H 1 1.087 0.000 . . . . . . . 71 THR HG2 . 53392 1 527 . 1 . 1 71 71 THR C C 13 170.384 0.000 . . . . . . . 71 THR C . 53392 1 528 . 1 . 1 71 71 THR CA C 13 62.929 0.000 . . . . . . . 71 THR CA . 53392 1 529 . 1 . 1 71 71 THR CB C 13 67.273 0.000 . . . . . . . 71 THR CB . 53392 1 530 . 1 . 1 71 71 THR CG2 C 13 21.600 0.000 . . . . . . . 71 THR CG2 . 53392 1 531 . 1 . 1 71 71 THR N N 15 123.935 0.000 . . . . . . . 71 THR N . 53392 1 532 . 1 . 1 72 72 GLN H H 1 8.899 0.000 . . . . . . . 72 GLN H . 53392 1 533 . 1 . 1 72 72 GLN HA H 1 3.942 0.000 . . . . . . . 72 GLN HA . 53392 1 534 . 1 . 1 72 72 GLN HB2 H 1 1.629 0.000 . . . . . . . 72 GLN HB2 . 53392 1 535 . 1 . 1 72 72 GLN HB3 H 1 1.395 0.000 . . . . . . . 72 GLN HB3 . 53392 1 536 . 1 . 1 72 72 GLN C C 13 172.383 0.000 . . . . . . . 72 GLN C . 53392 1 537 . 1 . 1 72 72 GLN CA C 13 54.230 0.000 . . . . . . . 72 GLN CA . 53392 1 538 . 1 . 1 72 72 GLN CB C 13 25.519 0.000 . . . . . . . 72 GLN CB . 53392 1 539 . 1 . 1 72 72 GLN CG C 13 33.900 0.000 . . . . . . . 72 GLN CG . 53392 1 540 . 1 . 1 72 72 GLN N N 15 129.042 0.000 . . . . . . . 72 GLN N . 53392 1 541 . 1 . 1 73 73 LYS H H 1 9.636 0.000 . . . . . . . 73 LYS H . 53392 1 542 . 1 . 1 73 73 LYS HA H 1 4.277 0.000 . . . . . . . 73 LYS HA . 53392 1 543 . 1 . 1 73 73 LYS HB2 H 1 1.853 0.000 . . . . . . . 73 LYS HB2 . 53392 1 544 . 1 . 1 73 73 LYS HB3 H 1 1.853 0.000 . . . . . . . 73 LYS HB3 . 53392 1 545 . 1 . 1 73 73 LYS HG2 H 1 1.438 0.000 . . . . . . . 73 LYS HG2 . 53392 1 546 . 1 . 1 73 73 LYS HG3 H 1 1.438 0.000 . . . . . . . 73 LYS HG3 . 53392 1 547 . 1 . 1 73 73 LYS HD2 H 1 1.548 0.000 . . . . . . . 73 LYS HD2 . 53392 1 548 . 1 . 1 73 73 LYS HD3 H 1 1.548 0.000 . . . . . . . 73 LYS HD3 . 53392 1 549 . 1 . 1 73 73 LYS HE2 H 1 2.885 0.000 . . . . . . . 73 LYS HE2 . 53392 1 550 . 1 . 1 73 73 LYS HE3 H 1 2.924 0.000 . . . . . . . 73 LYS HE3 . 53392 1 551 . 1 . 1 73 73 LYS C C 13 171.444 0.000 . . . . . . . 73 LYS C . 53392 1 552 . 1 . 1 73 73 LYS CA C 13 52.309 0.000 . . . . . . . 73 LYS CA . 53392 1 553 . 1 . 1 73 73 LYS CB C 13 32.599 0.000 . . . . . . . 73 LYS CB . 53392 1 554 . 1 . 1 73 73 LYS CG C 13 24.896 0.000 . . . . . . . 73 LYS CG . 53392 1 555 . 1 . 1 73 73 LYS CD C 13 31.439 0.000 . . . . . . . 73 LYS CD . 53392 1 556 . 1 . 1 73 73 LYS CE C 13 42.000 0.000 . . . . . . . 73 LYS CE . 53392 1 557 . 1 . 1 73 73 LYS N N 15 130.341 0.000 . . . . . . . 73 LYS N . 53392 1 558 . 1 . 1 74 74 TYR H H 1 8.217 0.000 . . . . . . . 74 TYR H . 53392 1 559 . 1 . 1 74 74 TYR HA H 1 4.731 0.000 . . . . . . . 74 TYR HA . 53392 1 560 . 1 . 1 74 74 TYR HB2 H 1 3.237 0.000 . . . . . . . 74 TYR HB2 . 53392 1 561 . 1 . 1 74 74 TYR HB3 H 1 2.674 0.000 . . . . . . . 74 TYR HB3 . 53392 1 562 . 1 . 1 74 74 TYR C C 13 172.881 0.000 . . . . . . . 74 TYR C . 53392 1 563 . 1 . 1 74 74 TYR CA C 13 56.010 0.000 . . . . . . . 74 TYR CA . 53392 1 564 . 1 . 1 74 74 TYR CB C 13 36.782 0.000 . . . . . . . 74 TYR CB . 53392 1 565 . 1 . 1 74 74 TYR N N 15 113.899 0.000 . . . . . . . 74 TYR N . 53392 1 566 . 1 . 1 75 75 GLU H H 1 7.569 0.000 . . . . . . . 75 GLU H . 53392 1 567 . 1 . 1 75 75 GLU HA H 1 4.539 0.000 . . . . . . . 75 GLU HA . 53392 1 568 . 1 . 1 75 75 GLU HB2 H 1 1.829 0.000 . . . . . . . 75 GLU HB2 . 53392 1 569 . 1 . 1 75 75 GLU HB3 H 1 1.853 0.000 . . . . . . . 75 GLU HB3 . 53392 1 570 . 1 . 1 75 75 GLU HG2 H 1 2.111 0.000 . . . . . . . 75 GLU HG2 . 53392 1 571 . 1 . 1 75 75 GLU HG3 H 1 2.056 0.000 . . . . . . . 75 GLU HG3 . 53392 1 572 . 1 . 1 75 75 GLU C C 13 171.940 0.000 . . . . . . . 75 GLU C . 53392 1 573 . 1 . 1 75 75 GLU CA C 13 51.987 0.000 . . . . . . . 75 GLU CA . 53392 1 574 . 1 . 1 75 75 GLU CB C 13 29.220 0.000 . . . . . . . 75 GLU CB . 53392 1 575 . 1 . 1 75 75 GLU CG C 13 36.300 0.000 . . . . . . . 75 GLU CG . 53392 1 576 . 1 . 1 75 75 GLU N N 15 117.179 0.000 . . . . . . . 75 GLU N . 53392 1 577 . 1 . 1 76 76 ASP H H 1 8.962 0.000 . . . . . . . 76 ASP H . 53392 1 578 . 1 . 1 76 76 ASP HA H 1 4.191 0.000 . . . . . . . 76 ASP HA . 53392 1 579 . 1 . 1 76 76 ASP HB2 H 1 2.815 0.000 . . . . . . . 76 ASP HB2 . 53392 1 580 . 1 . 1 76 76 ASP HB3 H 1 2.361 0.000 . . . . . . . 76 ASP HB3 . 53392 1 581 . 1 . 1 76 76 ASP C C 13 173.055 0.000 . . . . . . . 76 ASP C . 53392 1 582 . 1 . 1 76 76 ASP CA C 13 51.826 0.000 . . . . . . . 76 ASP CA . 53392 1 583 . 1 . 1 76 76 ASP CB C 13 36.380 0.000 . . . . . . . 76 ASP CB . 53392 1 584 . 1 . 1 76 76 ASP N N 15 122.120 0.000 . . . . . . . 76 ASP N . 53392 1 585 . 1 . 1 77 77 CYS H H 1 8.055 0.000 . . . . . . . 77 CYS H . 53392 1 586 . 1 . 1 77 77 CYS HA H 1 4.576 0.000 . . . . . . . 77 CYS HA . 53392 1 587 . 1 . 1 77 77 CYS HB2 H 1 2.981 0.000 . . . . . . . 77 CYS HB2 . 53392 1 588 . 1 . 1 77 77 CYS HB3 H 1 2.031 0.000 . . . . . . . 77 CYS HB3 . 53392 1 589 . 1 . 1 77 77 CYS C C 13 172.691 0.000 . . . . . . . 77 CYS C . 53392 1 590 . 1 . 1 77 77 CYS CA C 13 53.194 0.000 . . . . . . . 77 CYS CA . 53392 1 591 . 1 . 1 77 77 CYS CB C 13 27.128 0.000 . . . . . . . 77 CYS CB . 53392 1 592 . 1 . 1 77 77 CYS N N 15 112.500 0.000 . . . . . . . 77 CYS N . 53392 1 593 . 1 . 1 78 78 LEU H H 1 8.176 0.000 . . . . . . . 78 LEU H . 53392 1 594 . 1 . 1 78 78 LEU HA H 1 3.892 0.000 . . . . . . . 78 LEU HA . 53392 1 595 . 1 . 1 78 78 LEU HB2 H 1 1.961 0.000 . . . . . . . 78 LEU HB2 . 53392 1 596 . 1 . 1 78 78 LEU HB3 H 1 1.300 0.000 . . . . . . . 78 LEU HB3 . 53392 1 597 . 1 . 1 78 78 LEU HG H 1 1.300 0.000 . . . . . . . 78 LEU HG . 53392 1 598 . 1 . 1 78 78 LEU HD11 H 1 0.900 0.000 . . . . . . . 78 LEU HD1 . 53392 1 599 . 1 . 1 78 78 LEU HD12 H 1 0.900 0.000 . . . . . . . 78 LEU HD1 . 53392 1 600 . 1 . 1 78 78 LEU HD13 H 1 0.900 0.000 . . . . . . . 78 LEU HD1 . 53392 1 601 . 1 . 1 78 78 LEU HD21 H 1 0.519 0.000 . . . . . . . 78 LEU HD2 . 53392 1 602 . 1 . 1 78 78 LEU HD22 H 1 0.519 0.000 . . . . . . . 78 LEU HD2 . 53392 1 603 . 1 . 1 78 78 LEU HD23 H 1 0.519 0.000 . . . . . . . 78 LEU HD2 . 53392 1 604 . 1 . 1 78 78 LEU C C 13 173.973 0.000 . . . . . . . 78 LEU C . 53392 1 605 . 1 . 1 78 78 LEU CA C 13 55.447 0.000 . . . . . . . 78 LEU CA . 53392 1 606 . 1 . 1 78 78 LEU CB C 13 38.632 0.000 . . . . . . . 78 LEU CB . 53392 1 607 . 1 . 1 78 78 LEU CG C 13 27.000 0.000 . . . . . . . 78 LEU CG . 53392 1 608 . 1 . 1 78 78 LEU CD1 C 13 19.854 0.000 . . . . . . . 78 LEU CD1 . 53392 1 609 . 1 . 1 78 78 LEU CD2 C 13 21.785 0.000 . . . . . . . 78 LEU CD2 . 53392 1 610 . 1 . 1 78 78 LEU N N 15 123.050 0.000 . . . . . . . 78 LEU N . 53392 1 611 . 1 . 1 79 79 ASN H H 1 8.242 0.000 . . . . . . . 79 ASN H . 53392 1 612 . 1 . 1 79 79 ASN HA H 1 4.092 0.000 . . . . . . . 79 ASN HA . 53392 1 613 . 1 . 1 79 79 ASN HB2 H 1 2.672 0.000 . . . . . . . 79 ASN HB2 . 53392 1 614 . 1 . 1 79 79 ASN HB3 H 1 2.672 0.000 . . . . . . . 79 ASN HB3 . 53392 1 615 . 1 . 1 79 79 ASN C C 13 171.570 0.000 . . . . . . . 79 ASN C . 53392 1 616 . 1 . 1 79 79 ASN CA C 13 51.826 0.000 . . . . . . . 79 ASN CA . 53392 1 617 . 1 . 1 79 79 ASN CB C 13 34.449 0.000 . . . . . . . 79 ASN CB . 53392 1 618 . 1 . 1 79 79 ASN N N 15 108.478 0.000 . . . . . . . 79 ASN N . 53392 1 619 . 1 . 1 80 80 GLN H H 1 7.238 0.000 . . . . . . . 80 GLN H . 53392 1 620 . 1 . 1 80 80 GLN HA H 1 4.670 0.000 . . . . . . . 80 GLN HA . 53392 1 621 . 1 . 1 80 80 GLN HB2 H 1 2.105 0.000 . . . . . . . 80 GLN HB2 . 53392 1 622 . 1 . 1 80 80 GLN HB3 H 1 2.034 0.000 . . . . . . . 80 GLN HB3 . 53392 1 623 . 1 . 1 80 80 GLN HG2 H 1 2.593 0.000 . . . . . . . 80 GLN HG2 . 53392 1 624 . 1 . 1 80 80 GLN HG3 H 1 2.593 0.000 . . . . . . . 80 GLN HG3 . 53392 1 625 . 1 . 1 80 80 GLN C C 13 170.803 0.000 . . . . . . . 80 GLN C . 53392 1 626 . 1 . 1 80 80 GLN CA C 13 51.549 0.000 . . . . . . . 80 GLN CA . 53392 1 627 . 1 . 1 80 80 GLN CB C 13 25.921 0.000 . . . . . . . 80 GLN CB . 53392 1 628 . 1 . 1 80 80 GLN CG C 13 34.000 0.000 . . . . . . . 80 GLN CG . 53392 1 629 . 1 . 1 80 80 GLN N N 15 113.729 0.000 . . . . . . . 80 GLN N . 53392 1 630 . 1 . 1 81 81 LEU H H 1 6.797 0.000 . . . . . . . 81 LEU H . 53392 1 631 . 1 . 1 81 81 LEU HA H 1 4.604 0.000 . . . . . . . 81 LEU HA . 53392 1 632 . 1 . 1 81 81 LEU HB2 H 1 2.026 0.000 . . . . . . . 81 LEU HB2 . 53392 1 633 . 1 . 1 81 81 LEU HB3 H 1 2.026 0.000 . . . . . . . 81 LEU HB3 . 53392 1 634 . 1 . 1 81 81 LEU HG H 1 1.272 0.000 . . . . . . . 81 LEU HG . 53392 1 635 . 1 . 1 81 81 LEU HD11 H 1 0.540 0.000 . . . . . . . 81 LEU HD1 . 53392 1 636 . 1 . 1 81 81 LEU HD12 H 1 0.540 0.000 . . . . . . . 81 LEU HD1 . 53392 1 637 . 1 . 1 81 81 LEU HD13 H 1 0.540 0.000 . . . . . . . 81 LEU HD1 . 53392 1 638 . 1 . 1 81 81 LEU HD21 H 1 0.753 0.000 . . . . . . . 81 LEU HD2 . 53392 1 639 . 1 . 1 81 81 LEU HD22 H 1 0.753 0.000 . . . . . . . 81 LEU HD2 . 53392 1 640 . 1 . 1 81 81 LEU HD23 H 1 0.753 0.000 . . . . . . . 81 LEU HD2 . 53392 1 641 . 1 . 1 81 81 LEU C C 13 172.013 0.000 . . . . . . . 81 LEU C . 53392 1 642 . 1 . 1 81 81 LEU CA C 13 49.413 0.000 . . . . . . . 81 LEU CA . 53392 1 643 . 1 . 1 81 81 LEU CB C 13 42.002 0.000 . . . . . . . 81 LEU CB . 53392 1 644 . 1 . 1 81 81 LEU CG C 13 27.100 0.000 . . . . . . . 81 LEU CG . 53392 1 645 . 1 . 1 81 81 LEU CD1 C 13 25.700 0.000 . . . . . . . 81 LEU CD1 . 53392 1 646 . 1 . 1 81 81 LEU CD2 C 13 23.400 0.000 . . . . . . . 81 LEU CD2 . 53392 1 647 . 1 . 1 81 81 LEU N N 15 118.705 0.000 . . . . . . . 81 LEU N . 53392 1 648 . 1 . 1 82 82 TRP H H 1 8.607 0.000 . . . . . . . 82 TRP H . 53392 1 649 . 1 . 1 82 82 TRP CA C 13 52.148 0.000 . . . . . . . 82 TRP CA . 53392 1 650 . 1 . 1 82 82 TRP CB C 13 29.944 0.000 . . . . . . . 82 TRP CB . 53392 1 651 . 1 . 1 82 82 TRP N N 15 118.790 0.000 . . . . . . . 82 TRP N . 53392 1 652 . 1 . 1 83 83 ARG H H 1 8.208 0.000 . . . . . . . 83 ARG H . 53392 1 653 . 1 . 1 83 83 ARG HA H 1 4.350 0.000 . . . . . . . 83 ARG HA . 53392 1 654 . 1 . 1 83 83 ARG HB2 H 1 2.071 0.000 . . . . . . . 83 ARG HB2 . 53392 1 655 . 1 . 1 83 83 ARG HB3 H 1 2.025 0.000 . . . . . . . 83 ARG HB3 . 53392 1 656 . 1 . 1 83 83 ARG HG2 H 1 1.562 0.000 . . . . . . . 83 ARG HG2 . 53392 1 657 . 1 . 1 83 83 ARG HG3 H 1 1.477 0.000 . . . . . . . 83 ARG HG3 . 53392 1 658 . 1 . 1 83 83 ARG CA C 13 52.900 0.000 . . . . . . . 83 ARG CA . 53392 1 659 . 1 . 1 83 83 ARG CB C 13 29.944 0.000 . . . . . . . 83 ARG CB . 53392 1 660 . 1 . 1 83 83 ARG CD C 13 43.300 0.000 . . . . . . . 83 ARG CD . 53392 1 661 . 1 . 1 83 83 ARG N N 15 119.726 0.000 . . . . . . . 83 ARG N . 53392 1 662 . 1 . 1 84 84 TYR H H 1 9.234 0.000 . . . . . . . 84 TYR H . 53392 1 663 . 1 . 1 84 84 TYR C C 13 171.404 0.000 . . . . . . . 84 TYR C . 53392 1 664 . 1 . 1 84 84 TYR CA C 13 56.100 0.000 . . . . . . . 84 TYR CA . 53392 1 665 . 1 . 1 84 84 TYR CB C 13 42.494 0.000 . . . . . . . 84 TYR CB . 53392 1 666 . 1 . 1 84 84 TYR N N 15 124.840 0.000 . . . . . . . 84 TYR N . 53392 1 667 . 1 . 1 85 85 GLU H H 1 8.208 0.000 . . . . . . . 85 GLU H . 53392 1 668 . 1 . 1 85 85 GLU HA H 1 4.371 0.000 . . . . . . . 85 GLU HA . 53392 1 669 . 1 . 1 85 85 GLU HB2 H 1 2.071 0.000 . . . . . . . 85 GLU HB2 . 53392 1 670 . 1 . 1 85 85 GLU HB3 H 1 2.071 0.000 . . . . . . . 85 GLU HB3 . 53392 1 671 . 1 . 1 85 85 GLU HG2 H 1 2.071 0.000 . . . . . . . 85 GLU HG2 . 53392 1 672 . 1 . 1 85 85 GLU HG3 H 1 2.071 0.000 . . . . . . . 85 GLU HG3 . 53392 1 673 . 1 . 1 85 85 GLU C C 13 173.060 0.000 . . . . . . . 85 GLU C . 53392 1 674 . 1 . 1 85 85 GLU CA C 13 53.596 0.000 . . . . . . . 85 GLU CA . 53392 1 675 . 1 . 1 85 85 GLU CB C 13 29.944 0.000 . . . . . . . 85 GLU CB . 53392 1 676 . 1 . 1 85 85 GLU CG C 13 38.520 0.000 . . . . . . . 85 GLU CG . 53392 1 677 . 1 . 1 85 85 GLU N N 15 119.726 0.000 . . . . . . . 85 GLU N . 53392 1 678 . 1 . 1 86 86 ASN H H 1 9.234 0.000 . . . . . . . 86 ASN H . 53392 1 679 . 1 . 1 86 86 ASN HA H 1 4.192 0.000 . . . . . . . 86 ASN HA . 53392 1 680 . 1 . 1 86 86 ASN HB2 H 1 3.082 0.000 . . . . . . . 86 ASN HB2 . 53392 1 681 . 1 . 1 86 86 ASN HB3 H 1 2.601 0.000 . . . . . . . 86 ASN HB3 . 53392 1 682 . 1 . 1 86 86 ASN C C 13 170.915 0.000 . . . . . . . 86 ASN C . 53392 1 683 . 1 . 1 86 86 ASN CA C 13 51.012 0.000 . . . . . . . 86 ASN CA . 53392 1 684 . 1 . 1 86 86 ASN CB C 13 34.922 0.000 . . . . . . . 86 ASN CB . 53392 1 685 . 1 . 1 86 86 ASN N N 15 124.840 0.000 . . . . . . . 86 ASN N . 53392 1 686 . 1 . 1 87 87 GLY H H 1 6.764 0.000 . . . . . . . 87 GLY H . 53392 1 687 . 1 . 1 87 87 GLY HA2 H 1 3.925 0.000 . . . . . . . 87 GLY HA2 . 53392 1 688 . 1 . 1 87 87 GLY HA3 H 1 3.925 0.000 . . . . . . . 87 GLY HA3 . 53392 1 689 . 1 . 1 87 87 GLY C C 13 169.070 0.000 . . . . . . . 87 GLY C . 53392 1 690 . 1 . 1 87 87 GLY CA C 13 41.850 0.000 . . . . . . . 87 GLY CA . 53392 1 691 . 1 . 1 87 87 GLY N N 15 101.952 0.000 . . . . . . . 87 GLY N . 53392 1 692 . 1 . 1 88 88 TYR H H 1 7.588 0.000 . . . . . . . 88 TYR H . 53392 1 693 . 1 . 1 88 88 TYR HA H 1 4.902 0.000 . . . . . . . 88 TYR HA . 53392 1 694 . 1 . 1 88 88 TYR HB2 H 1 2.689 0.000 . . . . . . . 88 TYR HB2 . 53392 1 695 . 1 . 1 88 88 TYR HB3 H 1 2.856 0.000 . . . . . . . 88 TYR HB3 . 53392 1 696 . 1 . 1 88 88 TYR C C 13 173.099 0.000 . . . . . . . 88 TYR C . 53392 1 697 . 1 . 1 88 88 TYR CA C 13 54.079 0.000 . . . . . . . 88 TYR CA . 53392 1 698 . 1 . 1 88 88 TYR CB C 13 35.977 0.000 . . . . . . . 88 TYR CB . 53392 1 699 . 1 . 1 88 88 TYR N N 15 117.469 0.000 . . . . . . . 88 TYR N . 53392 1 700 . 1 . 1 89 89 PHE H H 1 8.933 0.000 . . . . . . . 89 PHE H . 53392 1 701 . 1 . 1 89 89 PHE HA H 1 5.494 0.000 . . . . . . . 89 PHE HA . 53392 1 702 . 1 . 1 89 89 PHE HB2 H 1 2.411 0.000 . . . . . . . 89 PHE HB2 . 53392 1 703 . 1 . 1 89 89 PHE HB3 H 1 2.539 0.000 . . . . . . . 89 PHE HB3 . 53392 1 704 . 1 . 1 89 89 PHE C C 13 172.541 0.000 . . . . . . . 89 PHE C . 53392 1 705 . 1 . 1 89 89 PHE CA C 13 55.250 0.000 . . . . . . . 89 PHE CA . 53392 1 706 . 1 . 1 89 89 PHE CB C 13 38.311 0.000 . . . . . . . 89 PHE CB . 53392 1 707 . 1 . 1 89 89 PHE N N 15 121.582 0.000 . . . . . . . 89 PHE N . 53392 1 708 . 1 . 1 90 90 ILE H H 1 9.298 0.000 . . . . . . . 90 ILE H . 53392 1 709 . 1 . 1 90 90 ILE HA H 1 4.371 0.000 . . . . . . . 90 ILE HA . 53392 1 710 . 1 . 1 90 90 ILE HG12 H 1 1.462 0.000 . . . . . . . 90 ILE HG12 . 53392 1 711 . 1 . 1 90 90 ILE HG13 H 1 1.462 0.000 . . . . . . . 90 ILE HG13 . 53392 1 712 . 1 . 1 90 90 ILE HG21 H 1 0.562 0.000 . . . . . . . 90 ILE HG2 . 53392 1 713 . 1 . 1 90 90 ILE HG22 H 1 0.562 0.000 . . . . . . . 90 ILE HG2 . 53392 1 714 . 1 . 1 90 90 ILE HG23 H 1 0.562 0.000 . . . . . . . 90 ILE HG2 . 53392 1 715 . 1 . 1 90 90 ILE HD11 H 1 0.562 0.000 . . . . . . . 90 ILE HD1 . 53392 1 716 . 1 . 1 90 90 ILE HD12 H 1 0.562 0.000 . . . . . . . 90 ILE HD1 . 53392 1 717 . 1 . 1 90 90 ILE HD13 H 1 0.562 0.000 . . . . . . . 90 ILE HD1 . 53392 1 718 . 1 . 1 90 90 ILE C C 13 173.249 0.000 . . . . . . . 90 ILE C . 53392 1 719 . 1 . 1 90 90 ILE CA C 13 57.596 0.000 . . . . . . . 90 ILE CA . 53392 1 720 . 1 . 1 90 90 ILE CB C 13 38.150 0.000 . . . . . . . 90 ILE CB . 53392 1 721 . 1 . 1 90 90 ILE CG1 C 13 36.656 0.000 . . . . . . . 90 ILE CG1 . 53392 1 722 . 1 . 1 90 90 ILE CG2 C 13 22.499 0.000 . . . . . . . 90 ILE CG2 . 53392 1 723 . 1 . 1 90 90 ILE CD1 C 13 11.797 0.000 . . . . . . . 90 ILE CD1 . 53392 1 724 . 1 . 1 90 90 ILE N N 15 122.767 0.000 . . . . . . . 90 ILE N . 53392 1 725 . 1 . 1 91 91 ASN H H 1 9.186 0.000 . . . . . . . 91 ASN H . 53392 1 726 . 1 . 1 91 91 ASN HB2 H 1 3.396 0.000 . . . . . . . 91 ASN HB2 . 53392 1 727 . 1 . 1 91 91 ASN HB3 H 1 1.750 0.000 . . . . . . . 91 ASN HB3 . 53392 1 728 . 1 . 1 91 91 ASN C C 13 174.257 0.000 . . . . . . . 91 ASN C . 53392 1 729 . 1 . 1 91 91 ASN CA C 13 52.621 0.000 . . . . . . . 91 ASN CA . 53392 1 730 . 1 . 1 91 91 ASN CB C 13 37.265 0.000 . . . . . . . 91 ASN CB . 53392 1 731 . 1 . 1 91 91 ASN N N 15 127.967 0.000 . . . . . . . 91 ASN N . 53392 1 732 . 1 . 1 92 92 ALA H H 1 9.084 0.000 . . . . . . . 92 ALA H . 53392 1 733 . 1 . 1 92 92 ALA HA H 1 3.650 0.000 . . . . . . . 92 ALA HA . 53392 1 734 . 1 . 1 92 92 ALA HB1 H 1 1.007 0.000 . . . . . . . 92 ALA HB . 53392 1 735 . 1 . 1 92 92 ALA HB2 H 1 1.007 0.000 . . . . . . . 92 ALA HB . 53392 1 736 . 1 . 1 92 92 ALA HB3 H 1 1.007 0.000 . . . . . . . 92 ALA HB . 53392 1 737 . 1 . 1 92 92 ALA C C 13 174.837 0.000 . . . . . . . 92 ALA C . 53392 1 738 . 1 . 1 92 92 ALA CA C 13 51.582 0.000 . . . . . . . 92 ALA CA . 53392 1 739 . 1 . 1 92 92 ALA CB C 13 16.186 0.000 . . . . . . . 92 ALA CB . 53392 1 740 . 1 . 1 92 92 ALA N N 15 129.858 0.000 . . . . . . . 92 ALA N . 53392 1 741 . 1 . 1 93 93 LYS H H 1 7.000 0.000 . . . . . . . 93 LYS H . 53392 1 742 . 1 . 1 93 93 LYS HA H 1 3.808 0.000 . . . . . . . 93 LYS HA . 53392 1 743 . 1 . 1 93 93 LYS HB2 H 1 1.820 0.000 . . . . . . . 93 LYS HB2 . 53392 1 744 . 1 . 1 93 93 LYS HB3 H 1 1.860 0.000 . . . . . . . 93 LYS HB3 . 53392 1 745 . 1 . 1 93 93 LYS HG2 H 1 1.470 0.000 . . . . . . . 93 LYS HG2 . 53392 1 746 . 1 . 1 93 93 LYS HG3 H 1 1.391 0.000 . . . . . . . 93 LYS HG3 . 53392 1 747 . 1 . 1 93 93 LYS HE2 H 1 2.781 0.000 . . . . . . . 93 LYS HE2 . 53392 1 748 . 1 . 1 93 93 LYS HE3 H 1 2.781 0.000 . . . . . . . 93 LYS HE3 . 53392 1 749 . 1 . 1 93 93 LYS C C 13 175.075 0.000 . . . . . . . 93 LYS C . 53392 1 750 . 1 . 1 93 93 LYS CA C 13 54.924 0.000 . . . . . . . 93 LYS CA . 53392 1 751 . 1 . 1 93 93 LYS CB C 13 28.817 0.000 . . . . . . . 93 LYS CB . 53392 1 752 . 1 . 1 93 93 LYS CG C 13 24.788 0.000 . . . . . . . 93 LYS CG . 53392 1 753 . 1 . 1 93 93 LYS CD C 13 27.363 0.000 . . . . . . . 93 LYS CD . 53392 1 754 . 1 . 1 93 93 LYS CE C 13 42.000 0.000 . . . . . . . 93 LYS CE . 53392 1 755 . 1 . 1 93 93 LYS N N 15 116.548 0.000 . . . . . . . 93 LYS N . 53392 1 756 . 1 . 1 94 94 SER H H 1 8.457 0.000 . . . . . . . 94 SER H . 53392 1 757 . 1 . 1 94 94 SER HA H 1 4.434 0.000 . . . . . . . 94 SER HA . 53392 1 758 . 1 . 1 94 94 SER HB2 H 1 3.814 0.000 . . . . . . . 94 SER HB2 . 53392 1 759 . 1 . 1 94 94 SER HB3 H 1 3.876 0.000 . . . . . . . 94 SER HB3 . 53392 1 760 . 1 . 1 94 94 SER C C 13 171.752 0.000 . . . . . . . 94 SER C . 53392 1 761 . 1 . 1 94 94 SER CA C 13 55.929 0.000 . . . . . . . 94 SER CA . 53392 1 762 . 1 . 1 94 94 SER CB C 13 62.929 0.000 . . . . . . . 94 SER CB . 53392 1 763 . 1 . 1 94 94 SER N N 15 111.914 0.000 . . . . . . . 94 SER N . 53392 1 764 . 1 . 1 95 95 ALA H H 1 7.981 0.000 . . . . . . . 95 ALA H . 53392 1 765 . 1 . 1 95 95 ALA HA H 1 3.808 0.000 . . . . . . . 95 ALA HA . 53392 1 766 . 1 . 1 95 95 ALA HB1 H 1 1.286 0.000 . . . . . . . 95 ALA HB . 53392 1 767 . 1 . 1 95 95 ALA HB2 H 1 1.286 0.000 . . . . . . . 95 ALA HB . 53392 1 768 . 1 . 1 95 95 ALA HB3 H 1 1.286 0.000 . . . . . . . 95 ALA HB . 53392 1 769 . 1 . 1 95 95 ALA C C 13 172.691 0.000 . . . . . . . 95 ALA C . 53392 1 770 . 1 . 1 95 95 ALA CA C 13 51.344 0.000 . . . . . . . 95 ALA CA . 53392 1 771 . 1 . 1 95 95 ALA CB C 13 18.300 0.000 . . . . . . . 95 ALA CB . 53392 1 772 . 1 . 1 95 95 ALA N N 15 121.004 0.000 . . . . . . . 95 ALA N . 53392 1 773 . 1 . 1 96 96 LYS H H 1 7.578 0.000 . . . . . . . 96 LYS H . 53392 1 774 . 1 . 1 96 96 LYS HA H 1 4.200 0.000 . . . . . . . 96 LYS HA . 53392 1 775 . 1 . 1 96 96 LYS HB2 H 1 1.760 0.000 . . . . . . . 96 LYS HB2 . 53392 1 776 . 1 . 1 96 96 LYS HB3 H 1 1.700 0.000 . . . . . . . 96 LYS HB3 . 53392 1 777 . 1 . 1 96 96 LYS HG2 H 1 1.360 0.000 . . . . . . . 96 LYS HG2 . 53392 1 778 . 1 . 1 96 96 LYS HG3 H 1 1.360 0.000 . . . . . . . 96 LYS HG3 . 53392 1 779 . 1 . 1 96 96 LYS HD2 H 1 1.760 0.000 . . . . . . . 96 LYS HD2 . 53392 1 780 . 1 . 1 96 96 LYS HD3 H 1 1.700 0.000 . . . . . . . 96 LYS HD3 . 53392 1 781 . 1 . 1 96 96 LYS HE2 H 1 2.777 0.000 . . . . . . . 96 LYS HE2 . 53392 1 782 . 1 . 1 96 96 LYS HE3 H 1 2.777 0.000 . . . . . . . 96 LYS HE3 . 53392 1 783 . 1 . 1 96 96 LYS C C 13 171.318 0.000 . . . . . . . 96 LYS C . 53392 1 784 . 1 . 1 96 96 LYS CA C 13 52.229 0.000 . . . . . . . 96 LYS CA . 53392 1 785 . 1 . 1 96 96 LYS CB C 13 31.275 0.000 . . . . . . . 96 LYS CB . 53392 1 786 . 1 . 1 96 96 LYS CG C 13 23.458 0.000 . . . . . . . 96 LYS CG . 53392 1 787 . 1 . 1 96 96 LYS CD C 13 30.016 0.000 . . . . . . . 96 LYS CD . 53392 1 788 . 1 . 1 96 96 LYS CE C 13 39.939 0.000 . . . . . . . 96 LYS CE . 53392 1 789 . 1 . 1 96 96 LYS N N 15 119.088 0.000 . . . . . . . 96 LYS N . 53392 1 790 . 1 . 1 97 97 VAL H H 1 8.829 0.000 . . . . . . . 97 VAL H . 53392 1 791 . 1 . 1 97 97 VAL HA H 1 3.056 0.000 . . . . . . . 97 VAL HA . 53392 1 792 . 1 . 1 97 97 VAL HB H 1 1.509 0.000 . . . . . . . 97 VAL HB . 53392 1 793 . 1 . 1 97 97 VAL HG11 H 1 0.902 0.000 . . . . . . . 97 VAL HG1 . 53392 1 794 . 1 . 1 97 97 VAL HG12 H 1 0.902 0.000 . . . . . . . 97 VAL HG1 . 53392 1 795 . 1 . 1 97 97 VAL HG13 H 1 0.902 0.000 . . . . . . . 97 VAL HG1 . 53392 1 796 . 1 . 1 97 97 VAL HG21 H 1 0.602 0.000 . . . . . . . 97 VAL HG2 . 53392 1 797 . 1 . 1 97 97 VAL HG22 H 1 0.602 0.000 . . . . . . . 97 VAL HG2 . 53392 1 798 . 1 . 1 97 97 VAL HG23 H 1 0.602 0.000 . . . . . . . 97 VAL HG2 . 53392 1 799 . 1 . 1 97 97 VAL C C 13 173.421 0.000 . . . . . . . 97 VAL C . 53392 1 800 . 1 . 1 97 97 VAL CA C 13 55.431 0.000 . . . . . . . 97 VAL CA . 53392 1 801 . 1 . 1 97 97 VAL CB C 13 29.863 0.000 . . . . . . . 97 VAL CB . 53392 1 802 . 1 . 1 97 97 VAL CG1 C 13 21.100 0.000 . . . . . . . 97 VAL CG1 . 53392 1 803 . 1 . 1 97 97 VAL CG2 C 13 28.587 0.000 . . . . . . . 97 VAL CG2 . 53392 1 804 . 1 . 1 97 97 VAL N N 15 111.763 0.000 . . . . . . . 97 VAL N . 53392 1 805 . 1 . 1 98 98 LEU H H 1 8.662 0.000 . . . . . . . 98 LEU H . 53392 1 806 . 1 . 1 98 98 LEU HA H 1 4.563 0.000 . . . . . . . 98 LEU HA . 53392 1 807 . 1 . 1 98 98 LEU HB2 H 1 1.261 0.000 . . . . . . . 98 LEU HB2 . 53392 1 808 . 1 . 1 98 98 LEU HB3 H 1 -0.401 0.000 . . . . . . . 98 LEU HB3 . 53392 1 809 . 1 . 1 98 98 LEU HG H 1 1.261 0.000 . . . . . . . 98 LEU HG . 53392 1 810 . 1 . 1 98 98 LEU HD11 H 1 1.069 0.000 . . . . . . . 98 LEU HD1 . 53392 1 811 . 1 . 1 98 98 LEU HD12 H 1 1.069 0.000 . . . . . . . 98 LEU HD1 . 53392 1 812 . 1 . 1 98 98 LEU HD13 H 1 1.069 0.000 . . . . . . . 98 LEU HD1 . 53392 1 813 . 1 . 1 98 98 LEU HD21 H 1 -0.120 0.000 . . . . . . . 98 LEU HD2 . 53392 1 814 . 1 . 1 98 98 LEU HD22 H 1 -0.120 0.000 . . . . . . . 98 LEU HD2 . 53392 1 815 . 1 . 1 98 98 LEU HD23 H 1 -0.120 0.000 . . . . . . . 98 LEU HD2 . 53392 1 816 . 1 . 1 98 98 LEU C C 13 174.344 0.000 . . . . . . . 98 LEU C . 53392 1 817 . 1 . 1 98 98 LEU CA C 13 53.639 0.000 . . . . . . . 98 LEU CA . 53392 1 818 . 1 . 1 98 98 LEU CB C 13 40.000 0.000 . . . . . . . 98 LEU CB . 53392 1 819 . 1 . 1 98 98 LEU CG C 13 26.900 0.000 . . . . . . . 98 LEU CG . 53392 1 820 . 1 . 1 98 98 LEU CD1 C 13 18.412 0.000 . . . . . . . 98 LEU CD1 . 53392 1 821 . 1 . 1 98 98 LEU CD2 C 13 19.421 0.000 . . . . . . . 98 LEU CD2 . 53392 1 822 . 1 . 1 98 98 LEU N N 15 120.853 0.000 . . . . . . . 98 LEU N . 53392 1 823 . 1 . 1 99 99 ASP H H 1 9.242 0.000 . . . . . . . 99 ASP H . 53392 1 824 . 1 . 1 99 99 ASP HA H 1 5.403 0.000 . . . . . . . 99 ASP HA . 53392 1 825 . 1 . 1 99 99 ASP HB2 H 1 2.601 0.000 . . . . . . . 99 ASP HB2 . 53392 1 826 . 1 . 1 99 99 ASP HB3 H 1 2.397 0.000 . . . . . . . 99 ASP HB3 . 53392 1 827 . 1 . 1 99 99 ASP C C 13 171.511 0.000 . . . . . . . 99 ASP C . 53392 1 828 . 1 . 1 99 99 ASP CA C 13 49.109 0.000 . . . . . . . 99 ASP CA . 53392 1 829 . 1 . 1 99 99 ASP CB C 13 42.896 0.000 . . . . . . . 99 ASP CB . 53392 1 830 . 1 . 1 99 99 ASP N N 15 126.463 0.000 . . . . . . . 99 ASP N . 53392 1 831 . 1 . 1 100 100 ILE H H 1 10.470 0.000 . . . . . . . 100 ILE H . 53392 1 832 . 1 . 1 100 100 ILE HA H 1 4.481 0.000 . . . . . . . 100 ILE HA . 53392 1 833 . 1 . 1 100 100 ILE HB H 1 1.862 0.000 . . . . . . . 100 ILE HB . 53392 1 834 . 1 . 1 100 100 ILE HG12 H 1 1.335 0.000 . . . . . . . 100 ILE HG12 . 53392 1 835 . 1 . 1 100 100 ILE HG13 H 1 1.273 0.000 . . . . . . . 100 ILE HG13 . 53392 1 836 . 1 . 1 100 100 ILE HG21 H 1 0.878 0.000 . . . . . . . 100 ILE HG2 . 53392 1 837 . 1 . 1 100 100 ILE HG22 H 1 0.878 0.000 . . . . . . . 100 ILE HG2 . 53392 1 838 . 1 . 1 100 100 ILE HG23 H 1 0.878 0.000 . . . . . . . 100 ILE HG2 . 53392 1 839 . 1 . 1 100 100 ILE HD11 H 1 0.878 0.000 . . . . . . . 100 ILE HD1 . 53392 1 840 . 1 . 1 100 100 ILE HD12 H 1 0.878 0.000 . . . . . . . 100 ILE HD1 . 53392 1 841 . 1 . 1 100 100 ILE HD13 H 1 0.878 0.000 . . . . . . . 100 ILE HD1 . 53392 1 842 . 1 . 1 100 100 ILE C C 13 174.622 0.000 . . . . . . . 100 ILE C . 53392 1 843 . 1 . 1 100 100 ILE CA C 13 57.860 0.000 . . . . . . . 100 ILE CA . 53392 1 844 . 1 . 1 100 100 ILE CB C 13 39.535 0.000 . . . . . . . 100 ILE CB . 53392 1 845 . 1 . 1 100 100 ILE CG1 C 13 22.285 0.000 . . . . . . . 100 ILE CG1 . 53392 1 846 . 1 . 1 100 100 ILE CG2 C 13 17.500 0.000 . . . . . . . 100 ILE CG2 . 53392 1 847 . 1 . 1 100 100 ILE CD1 C 13 13.596 0.000 . . . . . . . 100 ILE CD1 . 53392 1 848 . 1 . 1 100 100 ILE N N 15 121.033 0.000 . . . . . . . 100 ILE N . 53392 1 849 . 1 . 1 101 101 ARG H H 1 9.120 0.000 . . . . . . . 101 ARG H . 53392 1 850 . 1 . 1 101 101 ARG HA H 1 3.908 0.000 . . . . . . . 101 ARG HA . 53392 1 851 . 1 . 1 101 101 ARG HB2 H 1 1.887 0.000 . . . . . . . 101 ARG HB2 . 53392 1 852 . 1 . 1 101 101 ARG HB3 H 1 1.887 0.000 . . . . . . . 101 ARG HB3 . 53392 1 853 . 1 . 1 101 101 ARG HG2 H 1 1.587 0.000 . . . . . . . 101 ARG HG2 . 53392 1 854 . 1 . 1 101 101 ARG HG3 H 1 1.587 0.000 . . . . . . . 101 ARG HG3 . 53392 1 855 . 1 . 1 101 101 ARG HD2 H 1 3.082 0.000 . . . . . . . 101 ARG HD2 . 53392 1 856 . 1 . 1 101 101 ARG HD3 H 1 3.142 0.000 . . . . . . . 101 ARG HD3 . 53392 1 857 . 1 . 1 101 101 ARG C C 13 175.056 0.000 . . . . . . . 101 ARG C . 53392 1 858 . 1 . 1 101 101 ARG CA C 13 56.001 0.000 . . . . . . . 101 ARG CA . 53392 1 859 . 1 . 1 101 101 ARG CB C 13 26.438 0.000 . . . . . . . 101 ARG CB . 53392 1 860 . 1 . 1 101 101 ARG CG C 13 27.500 0.000 . . . . . . . 101 ARG CG . 53392 1 861 . 1 . 1 101 101 ARG CD C 13 43.300 0.000 . . . . . . . 101 ARG CD . 53392 1 862 . 1 . 1 101 101 ARG N N 15 130.409 0.000 . . . . . . . 101 ARG N . 53392 1 863 . 1 . 1 102 102 GLY H H 1 9.148 0.000 . . . . . . . 102 GLY H . 53392 1 864 . 1 . 1 102 102 GLY HA2 H 1 4.283 0.000 . . . . . . . 102 GLY HA2 . 53392 1 865 . 1 . 1 102 102 GLY HA3 H 1 3.622 0.000 . . . . . . . 102 GLY HA3 . 53392 1 866 . 1 . 1 102 102 GLY C C 13 172.562 0.000 . . . . . . . 102 GLY C . 53392 1 867 . 1 . 1 102 102 GLY CA C 13 42.333 0.000 . . . . . . . 102 GLY CA . 53392 1 868 . 1 . 1 102 102 GLY N N 15 118.434 0.000 . . . . . . . 102 GLY N . 53392 1 869 . 1 . 1 103 103 GLY H H 1 7.874 0.000 . . . . . . . 103 GLY H . 53392 1 870 . 1 . 1 103 103 GLY CA C 13 43.497 0.000 . . . . . . . 103 GLY CA . 53392 1 871 . 1 . 1 103 103 GLY N N 15 105.973 0.000 . . . . . . . 103 GLY N . 53392 1 872 . 1 . 1 104 104 GLU C C 13 171.833 0.000 . . . . . . . 104 GLU C . 53392 1 873 . 1 . 1 104 104 GLU CA C 13 52.300 0.000 . . . . . . . 104 GLU CA . 53392 1 874 . 1 . 1 104 104 GLU CB C 13 29.461 0.000 . . . . . . . 104 GLU CB . 53392 1 875 . 1 . 1 104 104 GLU CG C 13 36.300 0.000 . . . . . . . 104 GLU CG . 53392 1 876 . 1 . 1 105 105 MET H H 1 7.838 0.000 . . . . . . . 105 MET H . 53392 1 877 . 1 . 1 105 105 MET HA H 1 4.760 0.000 . . . . . . . 105 MET HA . 53392 1 878 . 1 . 1 105 105 MET HB2 H 1 1.550 0.000 . . . . . . . 105 MET HB2 . 53392 1 879 . 1 . 1 105 105 MET HB3 H 1 1.940 0.000 . . . . . . . 105 MET HB3 . 53392 1 880 . 1 . 1 105 105 MET HG2 H 1 2.815 0.000 . . . . . . . 105 MET HG2 . 53392 1 881 . 1 . 1 105 105 MET HG3 H 1 2.854 0.000 . . . . . . . 105 MET HG3 . 53392 1 882 . 1 . 1 105 105 MET C C 13 173.270 0.000 . . . . . . . 105 MET C . 53392 1 883 . 1 . 1 105 105 MET CA C 13 52.389 0.000 . . . . . . . 105 MET CA . 53392 1 884 . 1 . 1 105 105 MET CB C 13 34.208 0.000 . . . . . . . 105 MET CB . 53392 1 885 . 1 . 1 105 105 MET CG C 13 32.791 0.000 . . . . . . . 105 MET CG . 53392 1 886 . 1 . 1 105 105 MET N N 15 130.927 0.000 . . . . . . . 105 MET N . 53392 1 887 . 1 . 1 106 106 GLN H H 1 9.453 0.000 . . . . . . . 106 GLN H . 53392 1 888 . 1 . 1 106 106 GLN CA C 13 52.600 0.000 . . . . . . . 106 GLN CA . 53392 1 889 . 1 . 1 106 106 GLN CB C 13 33.300 0.000 . . . . . . . 106 GLN CB . 53392 1 890 . 1 . 1 106 106 GLN N N 15 120.833 0.000 . . . . . . . 106 GLN N . 53392 1 891 . 1 . 1 107 107 PRO HA H 1 4.558 0.000 . . . . . . . 107 PRO HA . 53392 1 892 . 1 . 1 107 107 PRO HB2 H 1 2.003 0.000 . . . . . . . 107 PRO HB2 . 53392 1 893 . 1 . 1 107 107 PRO HB3 H 1 1.940 0.000 . . . . . . . 107 PRO HB3 . 53392 1 894 . 1 . 1 107 107 PRO HG2 H 1 1.940 0.000 . . . . . . . 107 PRO HG2 . 53392 1 895 . 1 . 1 107 107 PRO HG3 H 1 2.003 0.000 . . . . . . . 107 PRO HG3 . 53392 1 896 . 1 . 1 107 107 PRO HD2 H 1 3.902 0.000 . . . . . . . 107 PRO HD2 . 53392 1 897 . 1 . 1 107 107 PRO HD3 H 1 3.602 0.000 . . . . . . . 107 PRO HD3 . 53392 1 898 . 1 . 1 107 107 PRO C C 13 173.232 0.000 . . . . . . . 107 PRO C . 53392 1 899 . 1 . 1 107 107 PRO CA C 13 60.676 0.000 . . . . . . . 107 PRO CA . 53392 1 900 . 1 . 1 107 107 PRO CB C 13 29.220 0.000 . . . . . . . 107 PRO CB . 53392 1 901 . 1 . 1 107 107 PRO CG C 13 27.792 0.000 . . . . . . . 107 PRO CG . 53392 1 902 . 1 . 1 107 107 PRO CD C 13 47.529 0.000 . . . . . . . 107 PRO CD . 53392 1 903 . 1 . 1 108 108 GLU H H 1 9.538 0.000 . . . . . . . 108 GLU H . 53392 1 904 . 1 . 1 108 108 GLU HA H 1 3.858 0.000 . . . . . . . 108 GLU HA . 53392 1 905 . 1 . 1 108 108 GLU HB2 H 1 1.946 0.000 . . . . . . . 108 GLU HB2 . 53392 1 906 . 1 . 1 108 108 GLU HB3 H 1 1.759 0.000 . . . . . . . 108 GLU HB3 . 53392 1 907 . 1 . 1 108 108 GLU HG2 H 1 2.271 0.000 . . . . . . . 108 GLU HG2 . 53392 1 908 . 1 . 1 108 108 GLU HG3 H 1 2.514 0.000 . . . . . . . 108 GLU HG3 . 53392 1 909 . 1 . 1 108 108 GLU C C 13 172.782 0.000 . . . . . . . 108 GLU C . 53392 1 910 . 1 . 1 108 108 GLU CA C 13 56.412 0.000 . . . . . . . 108 GLU CA . 53392 1 911 . 1 . 1 108 108 GLU CB C 13 29.400 0.000 . . . . . . . 108 GLU CB . 53392 1 912 . 1 . 1 108 108 GLU CG C 13 34.192 0.000 . . . . . . . 108 GLU CG . 53392 1 913 . 1 . 1 108 108 GLU N N 15 113.841 0.000 . . . . . . . 108 GLU N . 53392 1 914 . 1 . 1 109 109 SER H H 1 7.462 0.000 . . . . . . . 109 SER H . 53392 1 915 . 1 . 1 109 109 SER HA H 1 4.526 0.000 . . . . . . . 109 SER HA . 53392 1 916 . 1 . 1 109 109 SER HB2 H 1 3.950 0.000 . . . . . . . 109 SER HB2 . 53392 1 917 . 1 . 1 109 109 SER HB3 H 1 3.950 0.000 . . . . . . . 109 SER HB3 . 53392 1 918 . 1 . 1 109 109 SER C C 13 169.842 0.000 . . . . . . . 109 SER C . 53392 1 919 . 1 . 1 109 109 SER CA C 13 57.056 0.000 . . . . . . . 109 SER CA . 53392 1 920 . 1 . 1 109 109 SER CB C 13 62.124 0.000 . . . . . . . 109 SER CB . 53392 1 921 . 1 . 1 109 109 SER N N 15 115.570 0.000 . . . . . . . 109 SER N . 53392 1 922 . 1 . 1 110 110 GLN H H 1 8.886 0.000 . . . . . . . 110 GLN H . 53392 1 923 . 1 . 1 110 110 GLN HA H 1 4.102 0.000 . . . . . . . 110 GLN HA . 53392 1 924 . 1 . 1 110 110 GLN HB2 H 1 2.198 0.000 . . . . . . . 110 GLN HB2 . 53392 1 925 . 1 . 1 110 110 GLN HB3 H 1 2.131 0.000 . . . . . . . 110 GLN HB3 . 53392 1 926 . 1 . 1 110 110 GLN HG2 H 1 2.427 0.000 . . . . . . . 110 GLN HG2 . 53392 1 927 . 1 . 1 110 110 GLN HG3 H 1 2.500 0.000 . . . . . . . 110 GLN HG3 . 53392 1 928 . 1 . 1 110 110 GLN C C 13 171.769 0.000 . . . . . . . 110 GLN C . 53392 1 929 . 1 . 1 110 110 GLN CA C 13 53.596 0.000 . . . . . . . 110 GLN CA . 53392 1 930 . 1 . 1 110 110 GLN CB C 13 27.413 0.000 . . . . . . . 110 GLN CB . 53392 1 931 . 1 . 1 110 110 GLN CG C 13 34.000 0.000 . . . . . . . 110 GLN CG . 53392 1 932 . 1 . 1 110 110 GLN N N 15 123.960 0.000 . . . . . . . 110 GLN N . 53392 1 933 . 1 . 1 111 111 ILE H H 1 8.102 0.000 . . . . . . . 111 ILE H . 53392 1 934 . 1 . 1 111 111 ILE HA H 1 4.739 0.000 . . . . . . . 111 ILE HA . 53392 1 935 . 1 . 1 111 111 ILE HB H 1 1.839 0.000 . . . . . . . 111 ILE HB . 53392 1 936 . 1 . 1 111 111 ILE HG12 H 1 1.468 0.000 . . . . . . . 111 ILE HG12 . 53392 1 937 . 1 . 1 111 111 ILE HG13 H 1 1.539 0.000 . . . . . . . 111 ILE HG13 . 53392 1 938 . 1 . 1 111 111 ILE HG21 H 1 0.722 0.000 . . . . . . . 111 ILE HG2 . 53392 1 939 . 1 . 1 111 111 ILE HG22 H 1 0.722 0.000 . . . . . . . 111 ILE HG2 . 53392 1 940 . 1 . 1 111 111 ILE HG23 H 1 0.722 0.000 . . . . . . . 111 ILE HG2 . 53392 1 941 . 1 . 1 111 111 ILE HD11 H 1 0.690 0.000 . . . . . . . 111 ILE HD1 . 53392 1 942 . 1 . 1 111 111 ILE HD12 H 1 0.690 0.000 . . . . . . . 111 ILE HD1 . 53392 1 943 . 1 . 1 111 111 ILE HD13 H 1 0.690 0.000 . . . . . . . 111 ILE HD1 . 53392 1 944 . 1 . 1 111 111 ILE C C 13 173.442 0.000 . . . . . . . 111 ILE C . 53392 1 945 . 1 . 1 111 111 ILE CA C 13 55.697 0.000 . . . . . . . 111 ILE CA . 53392 1 946 . 1 . 1 111 111 ILE CB C 13 31.070 0.000 . . . . . . . 111 ILE CB . 53392 1 947 . 1 . 1 111 111 ILE CG1 C 13 29.830 0.000 . . . . . . . 111 ILE CG1 . 53392 1 948 . 1 . 1 111 111 ILE CG2 C 13 21.488 0.000 . . . . . . . 111 ILE CG2 . 53392 1 949 . 1 . 1 111 111 ILE CD1 C 13 11.629 0.000 . . . . . . . 111 ILE CD1 . 53392 1 950 . 1 . 1 111 111 ILE N N 15 126.615 0.000 . . . . . . . 111 ILE N . 53392 1 951 . 1 . 1 112 112 ILE H H 1 8.533 0.000 . . . . . . . 112 ILE H . 53392 1 952 . 1 . 1 112 112 ILE HA H 1 5.489 0.000 . . . . . . . 112 ILE HA . 53392 1 953 . 1 . 1 112 112 ILE HB H 1 1.837 0.000 . . . . . . . 112 ILE HB . 53392 1 954 . 1 . 1 112 112 ILE HG12 H 1 0.960 0.000 . . . . . . . 112 ILE HG12 . 53392 1 955 . 1 . 1 112 112 ILE HG13 H 1 0.890 0.000 . . . . . . . 112 ILE HG13 . 53392 1 956 . 1 . 1 112 112 ILE HG21 H 1 0.810 0.000 . . . . . . . 112 ILE HG2 . 53392 1 957 . 1 . 1 112 112 ILE HG22 H 1 0.810 0.000 . . . . . . . 112 ILE HG2 . 53392 1 958 . 1 . 1 112 112 ILE HG23 H 1 0.810 0.000 . . . . . . . 112 ILE HG2 . 53392 1 959 . 1 . 1 112 112 ILE HD11 H 1 0.711 0.000 . . . . . . . 112 ILE HD1 . 53392 1 960 . 1 . 1 112 112 ILE HD12 H 1 0.711 0.000 . . . . . . . 112 ILE HD1 . 53392 1 961 . 1 . 1 112 112 ILE HD13 H 1 0.711 0.000 . . . . . . . 112 ILE HD1 . 53392 1 962 . 1 . 1 112 112 ILE C C 13 172.208 0.000 . . . . . . . 112 ILE C . 53392 1 963 . 1 . 1 112 112 ILE CA C 13 57.448 0.000 . . . . . . . 112 ILE CA . 53392 1 964 . 1 . 1 112 112 ILE CB C 13 40.929 0.000 . . . . . . . 112 ILE CB . 53392 1 965 . 1 . 1 112 112 ILE CG1 C 13 21.748 0.000 . . . . . . . 112 ILE CG1 . 53392 1 966 . 1 . 1 112 112 ILE CG2 C 13 17.400 0.000 . . . . . . . 112 ILE CG2 . 53392 1 967 . 1 . 1 112 112 ILE CD1 C 13 13.451 0.000 . . . . . . . 112 ILE CD1 . 53392 1 968 . 1 . 1 112 112 ILE N N 15 122.018 0.000 . . . . . . . 112 ILE N . 53392 1 969 . 1 . 1 113 113 GLN H H 1 7.810 0.000 . . . . . . . 113 GLN H . 53392 1 970 . 1 . 1 113 113 GLN HA H 1 5.860 0.000 . . . . . . . 113 GLN HA . 53392 1 971 . 1 . 1 113 113 GLN HB2 H 1 1.746 0.000 . . . . . . . 113 GLN HB2 . 53392 1 972 . 1 . 1 113 113 GLN HB3 H 1 1.669 0.000 . . . . . . . 113 GLN HB3 . 53392 1 973 . 1 . 1 113 113 GLN HG2 H 1 2.226 0.000 . . . . . . . 113 GLN HG2 . 53392 1 974 . 1 . 1 113 113 GLN HG3 H 1 2.048 0.000 . . . . . . . 113 GLN HG3 . 53392 1 975 . 1 . 1 113 113 GLN C C 13 172.949 0.000 . . . . . . . 113 GLN C . 53392 1 976 . 1 . 1 113 113 GLN CA C 13 57.400 0.000 . . . . . . . 113 GLN CA . 53392 1 977 . 1 . 1 113 113 GLN CB C 13 26.484 0.000 . . . . . . . 113 GLN CB . 53392 1 978 . 1 . 1 113 113 GLN CG C 13 27.326 0.000 . . . . . . . 113 GLN CG . 53392 1 979 . 1 . 1 113 113 GLN N N 15 112.847 0.000 . . . . . . . 113 GLN N . 53392 1 980 . 1 . 1 114 114 TYR H H 1 9.707 0.000 . . . . . . . 114 TYR H . 53392 1 981 . 1 . 1 114 114 TYR HA H 1 4.503 0.000 . . . . . . . 114 TYR HA . 53392 1 982 . 1 . 1 114 114 TYR HB2 H 1 2.991 0.000 . . . . . . . 114 TYR HB2 . 53392 1 983 . 1 . 1 114 114 TYR HB3 H 1 2.711 0.000 . . . . . . . 114 TYR HB3 . 53392 1 984 . 1 . 1 114 114 TYR C C 13 170.089 0.000 . . . . . . . 114 TYR C . 53392 1 985 . 1 . 1 114 114 TYR CA C 13 55.410 0.000 . . . . . . . 114 TYR CA . 53392 1 986 . 1 . 1 114 114 TYR CB C 13 42.109 0.000 . . . . . . . 114 TYR CB . 53392 1 987 . 1 . 1 114 114 TYR N N 15 125.537 0.000 . . . . . . . 114 TYR N . 53392 1 988 . 1 . 1 115 115 ALA H H 1 6.969 0.000 . . . . . . . 115 ALA H . 53392 1 989 . 1 . 1 115 115 ALA HA H 1 4.167 0.000 . . . . . . . 115 ALA HA . 53392 1 990 . 1 . 1 115 115 ALA HB1 H 1 1.185 0.000 . . . . . . . 115 ALA HB . 53392 1 991 . 1 . 1 115 115 ALA HB2 H 1 1.185 0.000 . . . . . . . 115 ALA HB . 53392 1 992 . 1 . 1 115 115 ALA HB3 H 1 1.185 0.000 . . . . . . . 115 ALA HB . 53392 1 993 . 1 . 1 115 115 ALA C C 13 173.936 0.000 . . . . . . . 115 ALA C . 53392 1 994 . 1 . 1 115 115 ALA CA C 13 49.895 0.000 . . . . . . . 115 ALA CA . 53392 1 995 . 1 . 1 115 115 ALA CB C 13 16.106 0.000 . . . . . . . 115 ALA CB . 53392 1 996 . 1 . 1 115 115 ALA N N 15 128.185 0.000 . . . . . . . 115 ALA N . 53392 1 997 . 1 . 1 116 116 GLN H H 1 8.607 0.000 . . . . . . . 116 GLN H . 53392 1 998 . 1 . 1 116 116 GLN HA H 1 4.082 0.000 . . . . . . . 116 GLN HA . 53392 1 999 . 1 . 1 116 116 GLN HB2 H 1 1.837 0.000 . . . . . . . 116 GLN HB2 . 53392 1 1000 . 1 . 1 116 116 GLN HB3 H 1 1.792 0.000 . . . . . . . 116 GLN HB3 . 53392 1 1001 . 1 . 1 116 116 GLN C C 13 173.764 0.000 . . . . . . . 116 GLN C . 53392 1 1002 . 1 . 1 116 116 GLN CA C 13 54.159 0.000 . . . . . . . 116 GLN CA . 53392 1 1003 . 1 . 1 116 116 GLN CB C 13 25.921 0.000 . . . . . . . 116 GLN CB . 53392 1 1004 . 1 . 1 116 116 GLN CG C 13 33.900 0.000 . . . . . . . 116 GLN CG . 53392 1 1005 . 1 . 1 116 116 GLN N N 15 122.419 0.000 . . . . . . . 116 GLN N . 53392 1 1006 . 1 . 1 117 117 LYS H H 1 9.857 0.000 . . . . . . . 117 LYS H . 53392 1 1007 . 1 . 1 117 117 LYS HA H 1 4.383 0.000 . . . . . . . 117 LYS HA . 53392 1 1008 . 1 . 1 117 117 LYS HG2 H 1 1.470 0.000 . . . . . . . 117 LYS HG2 . 53392 1 1009 . 1 . 1 117 117 LYS HG3 H 1 1.470 0.000 . . . . . . . 117 LYS HG3 . 53392 1 1010 . 1 . 1 117 117 LYS HE2 H 1 2.931 0.000 . . . . . . . 117 LYS HE2 . 53392 1 1011 . 1 . 1 117 117 LYS HE3 H 1 2.931 0.000 . . . . . . . 117 LYS HE3 . 53392 1 1012 . 1 . 1 117 117 LYS C C 13 173.854 0.000 . . . . . . . 117 LYS C . 53392 1 1013 . 1 . 1 117 117 LYS CA C 13 53.033 0.000 . . . . . . . 117 LYS CA . 53392 1 1014 . 1 . 1 117 117 LYS CB C 13 31.633 0.000 . . . . . . . 117 LYS CB . 53392 1 1015 . 1 . 1 117 117 LYS CG C 13 24.700 0.000 . . . . . . . 117 LYS CG . 53392 1 1016 . 1 . 1 117 117 LYS CD C 13 29.100 0.000 . . . . . . . 117 LYS CD . 53392 1 1017 . 1 . 1 117 117 LYS CE C 13 39.233 0.000 . . . . . . . 117 LYS CE . 53392 1 1018 . 1 . 1 117 117 LYS N N 15 130.756 0.000 . . . . . . . 117 LYS N . 53392 1 1019 . 1 . 1 118 118 MET H H 1 8.708 0.000 . . . . . . . 118 MET H . 53392 1 1020 . 1 . 1 118 118 MET HA H 1 4.359 0.000 . . . . . . . 118 MET HA . 53392 1 1021 . 1 . 1 118 118 MET HB2 H 1 1.981 0.000 . . . . . . . 118 MET HB2 . 53392 1 1022 . 1 . 1 118 118 MET HB3 H 1 2.031 0.000 . . . . . . . 118 MET HB3 . 53392 1 1023 . 1 . 1 118 118 MET HG2 H 1 2.541 0.000 . . . . . . . 118 MET HG2 . 53392 1 1024 . 1 . 1 118 118 MET HG3 H 1 2.492 0.000 . . . . . . . 118 MET HG3 . 53392 1 1025 . 1 . 1 118 118 MET C C 13 174.536 0.000 . . . . . . . 118 MET C . 53392 1 1026 . 1 . 1 118 118 MET CA C 13 52.836 0.000 . . . . . . . 118 MET CA . 53392 1 1027 . 1 . 1 118 118 MET CB C 13 29.559 0.000 . . . . . . . 118 MET CB . 53392 1 1028 . 1 . 1 118 118 MET CG C 13 27.578 0.000 . . . . . . . 118 MET CG . 53392 1 1029 . 1 . 1 118 118 MET N N 15 121.435 0.000 . . . . . . . 118 MET N . 53392 1 1030 . 1 . 1 119 119 VAL H H 1 8.131 0.000 . . . . . . . 119 VAL H . 53392 1 1031 . 1 . 1 119 119 VAL HA H 1 3.805 0.000 . . . . . . . 119 VAL HA . 53392 1 1032 . 1 . 1 119 119 VAL HB H 1 1.570 0.000 . . . . . . . 119 VAL HB . 53392 1 1033 . 1 . 1 119 119 VAL HG11 H 1 0.926 0.000 . . . . . . . 119 VAL HG1 . 53392 1 1034 . 1 . 1 119 119 VAL HG12 H 1 0.926 0.000 . . . . . . . 119 VAL HG1 . 53392 1 1035 . 1 . 1 119 119 VAL HG13 H 1 0.926 0.000 . . . . . . . 119 VAL HG1 . 53392 1 1036 . 1 . 1 119 119 VAL HG21 H 1 0.828 0.000 . . . . . . . 119 VAL HG2 . 53392 1 1037 . 1 . 1 119 119 VAL HG22 H 1 0.828 0.000 . . . . . . . 119 VAL HG2 . 53392 1 1038 . 1 . 1 119 119 VAL HG23 H 1 0.828 0.000 . . . . . . . 119 VAL HG2 . 53392 1 1039 . 1 . 1 119 119 VAL C C 13 174.665 0.000 . . . . . . . 119 VAL C . 53392 1 1040 . 1 . 1 119 119 VAL CA C 13 62.204 0.000 . . . . . . . 119 VAL CA . 53392 1 1041 . 1 . 1 119 119 VAL CB C 13 29.380 0.000 . . . . . . . 119 VAL CB . 53392 1 1042 . 1 . 1 119 119 VAL CG1 C 13 21.000 0.000 . . . . . . . 119 VAL CG1 . 53392 1 1043 . 1 . 1 119 119 VAL CG2 C 13 21.600 0.000 . . . . . . . 119 VAL CG2 . 53392 1 1044 . 1 . 1 119 119 VAL N N 15 118.966 0.000 . . . . . . . 119 VAL N . 53392 1 1045 . 1 . 1 120 120 GLU H H 1 8.879 0.000 . . . . . . . 120 GLU H . 53392 1 1046 . 1 . 1 120 120 GLU HA H 1 4.009 0.000 . . . . . . . 120 GLU HA . 53392 1 1047 . 1 . 1 120 120 GLU HB2 H 1 1.929 0.000 . . . . . . . 120 GLU HB2 . 53392 1 1048 . 1 . 1 120 120 GLU HB3 H 1 1.839 0.000 . . . . . . . 120 GLU HB3 . 53392 1 1049 . 1 . 1 120 120 GLU HG2 H 1 2.149 0.000 . . . . . . . 120 GLU HG2 . 53392 1 1050 . 1 . 1 120 120 GLU HG3 H 1 2.214 0.000 . . . . . . . 120 GLU HG3 . 53392 1 1051 . 1 . 1 120 120 GLU C C 13 174.193 0.000 . . . . . . . 120 GLU C . 53392 1 1052 . 1 . 1 120 120 GLU CA C 13 55.625 0.000 . . . . . . . 120 GLU CA . 53392 1 1053 . 1 . 1 120 120 GLU CB C 13 26.404 0.000 . . . . . . . 120 GLU CB . 53392 1 1054 . 1 . 1 120 120 GLU CG C 13 36.300 0.000 . . . . . . . 120 GLU CG . 53392 1 1055 . 1 . 1 120 120 GLU N N 15 120.105 0.000 . . . . . . . 120 GLU N . 53392 1 1056 . 1 . 1 121 121 GLU H H 1 8.053 0.000 . . . . . . . 121 GLU H . 53392 1 1057 . 1 . 1 121 121 GLU HA H 1 4.311 0.000 . . . . . . . 121 GLU HA . 53392 1 1058 . 1 . 1 121 121 GLU HB2 H 1 2.051 0.000 . . . . . . . 121 GLU HB2 . 53392 1 1059 . 1 . 1 121 121 GLU HB3 H 1 1.847 0.000 . . . . . . . 121 GLU HB3 . 53392 1 1060 . 1 . 1 121 121 GLU HG2 H 1 2.141 0.000 . . . . . . . 121 GLU HG2 . 53392 1 1061 . 1 . 1 121 121 GLU HG3 H 1 2.141 0.000 . . . . . . . 121 GLU HG3 . 53392 1 1062 . 1 . 1 121 121 GLU C C 13 173.554 0.000 . . . . . . . 121 GLU C . 53392 1 1063 . 1 . 1 121 121 GLU CA C 13 53.194 0.000 . . . . . . . 121 GLU CA . 53392 1 1064 . 1 . 1 121 121 GLU CB C 13 27.611 0.000 . . . . . . . 121 GLU CB . 53392 1 1065 . 1 . 1 121 121 GLU CG C 13 32.371 0.000 . . . . . . . 121 GLU CG . 53392 1 1066 . 1 . 1 121 121 GLU N N 15 118.099 0.000 . . . . . . . 121 GLU N . 53392 1 1067 . 1 . 1 122 122 ALA H H 1 7.623 0.000 . . . . . . . 122 ALA H . 53392 1 1068 . 1 . 1 122 122 ALA HA H 1 4.190 0.000 . . . . . . . 122 ALA HA . 53392 1 1069 . 1 . 1 122 122 ALA HB1 H 1 1.410 0.000 . . . . . . . 122 ALA HB . 53392 1 1070 . 1 . 1 122 122 ALA HB2 H 1 1.410 0.000 . . . . . . . 122 ALA HB . 53392 1 1071 . 1 . 1 122 122 ALA HB3 H 1 1.410 0.000 . . . . . . . 122 ALA HB . 53392 1 1072 . 1 . 1 122 122 ALA C C 13 174.429 0.000 . . . . . . . 122 ALA C . 53392 1 1073 . 1 . 1 122 122 ALA CA C 13 49.413 0.000 . . . . . . . 122 ALA CA . 53392 1 1074 . 1 . 1 122 122 ALA CB C 13 16.589 0.000 . . . . . . . 122 ALA CB . 53392 1 1075 . 1 . 1 122 122 ALA N N 15 123.694 0.000 . . . . . . . 122 ALA N . 53392 1 1076 . 1 . 1 123 123 ALA H H 1 8.042 0.000 . . . . . . . 123 ALA H . 53392 1 1077 . 1 . 1 123 123 ALA HA H 1 3.800 0.000 . . . . . . . 123 ALA HA . 53392 1 1078 . 1 . 1 123 123 ALA HB1 H 1 1.188 0.000 . . . . . . . 123 ALA HB . 53392 1 1079 . 1 . 1 123 123 ALA HB2 H 1 1.188 0.000 . . . . . . . 123 ALA HB . 53392 1 1080 . 1 . 1 123 123 ALA HB3 H 1 1.188 0.000 . . . . . . . 123 ALA HB . 53392 1 1081 . 1 . 1 123 123 ALA C C 13 175.671 0.000 . . . . . . . 123 ALA C . 53392 1 1082 . 1 . 1 123 123 ALA CA C 13 52.148 0.000 . . . . . . . 123 ALA CA . 53392 1 1083 . 1 . 1 123 123 ALA CB C 13 15.721 0.000 . . . . . . . 123 ALA CB . 53392 1 1084 . 1 . 1 123 123 ALA N N 15 122.918 0.000 . . . . . . . 123 ALA N . 53392 1 1085 . 1 . 1 124 124 ASN H H 1 8.273 0.000 . . . . . . . 124 ASN H . 53392 1 1086 . 1 . 1 124 124 ASN HA H 1 4.365 0.000 . . . . . . . 124 ASN HA . 53392 1 1087 . 1 . 1 124 124 ASN HB2 H 1 2.651 0.000 . . . . . . . 124 ASN HB2 . 53392 1 1088 . 1 . 1 124 124 ASN HB3 H 1 2.683 0.000 . . . . . . . 124 ASN HB3 . 53392 1 1089 . 1 . 1 124 124 ASN C C 13 169.557 0.000 . . . . . . . 124 ASN C . 53392 1 1090 . 1 . 1 124 124 ASN CA C 13 50.612 0.000 . . . . . . . 124 ASN CA . 53392 1 1091 . 1 . 1 124 124 ASN CB C 13 35.029 0.000 . . . . . . . 124 ASN CB . 53392 1 1092 . 1 . 1 124 124 ASN N N 15 112.692 0.000 . . . . . . . 124 ASN N . 53392 1 1093 . 1 . 1 125 125 GLN H H 1 7.330 0.000 . . . . . . . 125 GLN H . 53392 1 1094 . 1 . 1 125 125 GLN HA H 1 4.906 0.000 . . . . . . . 125 GLN HA . 53392 1 1095 . 1 . 1 125 125 GLN HB2 H 1 2.214 0.000 . . . . . . . 125 GLN HB2 . 53392 1 1096 . 1 . 1 125 125 GLN HB3 H 1 2.117 0.000 . . . . . . . 125 GLN HB3 . 53392 1 1097 . 1 . 1 125 125 GLN HG2 H 1 2.614 0.000 . . . . . . . 125 GLN HG2 . 53392 1 1098 . 1 . 1 125 125 GLN HG3 H 1 2.475 0.000 . . . . . . . 125 GLN HG3 . 53392 1 1099 . 1 . 1 125 125 GLN C C 13 171.687 0.000 . . . . . . . 125 GLN C . 53392 1 1100 . 1 . 1 125 125 GLN CA C 13 51.424 0.000 . . . . . . . 125 GLN CA . 53392 1 1101 . 1 . 1 125 125 GLN CB C 13 27.530 0.000 . . . . . . . 125 GLN CB . 53392 1 1102 . 1 . 1 125 125 GLN CG C 13 34.000 0.000 . . . . . . . 125 GLN CG . 53392 1 1103 . 1 . 1 125 125 GLN N N 15 111.150 0.000 . . . . . . . 125 GLN N . 53392 1 1104 . 1 . 1 126 126 ARG H H 1 6.570 0.000 . . . . . . . 126 ARG H . 53392 1 1105 . 1 . 1 126 126 ARG HA H 1 4.481 0.000 . . . . . . . 126 ARG HA . 53392 1 1106 . 1 . 1 126 126 ARG HG2 H 1 1.250 0.000 . . . . . . . 126 ARG HG2 . 53392 1 1107 . 1 . 1 126 126 ARG HG3 H 1 1.281 0.000 . . . . . . . 126 ARG HG3 . 53392 1 1108 . 1 . 1 126 126 ARG HD3 H 1 2.761 0.000 . . . . . . . 126 ARG HD3 . 53392 1 1109 . 1 . 1 126 126 ARG C C 13 172.992 0.000 . . . . . . . 126 ARG C . 53392 1 1110 . 1 . 1 126 126 ARG CA C 13 51.826 0.000 . . . . . . . 126 ARG CA . 53392 1 1111 . 1 . 1 126 126 ARG CB C 13 28.335 0.000 . . . . . . . 126 ARG CB . 53392 1 1112 . 1 . 1 126 126 ARG CG C 13 26.653 0.000 . . . . . . . 126 ARG CG . 53392 1 1113 . 1 . 1 126 126 ARG CD C 13 39.770 0.000 . . . . . . . 126 ARG CD . 53392 1 1114 . 1 . 1 126 126 ARG N N 15 116.932 0.000 . . . . . . . 126 ARG N . 53392 1 1115 . 1 . 1 127 127 TRP H H 1 9.619 0.000 . . . . . . . 127 TRP H . 53392 1 1116 . 1 . 1 127 127 TRP HA H 1 4.947 0.000 . . . . . . . 127 TRP HA . 53392 1 1117 . 1 . 1 127 127 TRP HB2 H 1 2.744 0.000 . . . . . . . 127 TRP HB2 . 53392 1 1118 . 1 . 1 127 127 TRP HB3 H 1 3.041 0.000 . . . . . . . 127 TRP HB3 . 53392 1 1119 . 1 . 1 127 127 TRP C C 13 172.610 0.000 . . . . . . . 127 TRP C . 53392 1 1120 . 1 . 1 127 127 TRP CA C 13 53.194 0.000 . . . . . . . 127 TRP CA . 53392 1 1121 . 1 . 1 127 127 TRP CB C 13 31.150 0.000 . . . . . . . 127 TRP CB . 53392 1 1122 . 1 . 1 127 127 TRP N N 15 126.107 0.000 . . . . . . . 127 TRP N . 53392 1 1123 . 1 . 1 128 128 ALA H H 1 9.083 0.000 . . . . . . . 128 ALA H . 53392 1 1124 . 1 . 1 128 128 ALA HA H 1 4.286 0.000 . . . . . . . 128 ALA HA . 53392 1 1125 . 1 . 1 128 128 ALA HB1 H 1 0.754 0.000 . . . . . . . 128 ALA HB . 53392 1 1126 . 1 . 1 128 128 ALA HB2 H 1 0.754 0.000 . . . . . . . 128 ALA HB . 53392 1 1127 . 1 . 1 128 128 ALA HB3 H 1 0.754 0.000 . . . . . . . 128 ALA HB . 53392 1 1128 . 1 . 1 128 128 ALA C C 13 169.795 0.000 . . . . . . . 128 ALA C . 53392 1 1129 . 1 . 1 128 128 ALA CA C 13 47.965 0.000 . . . . . . . 128 ALA CA . 53392 1 1130 . 1 . 1 128 128 ALA CB C 13 19.887 0.000 . . . . . . . 128 ALA CB . 53392 1 1131 . 1 . 1 128 128 ALA N N 15 126.516 0.000 . . . . . . . 128 ALA N . 53392 1 1132 . 1 . 1 129 129 ILE H H 1 7.631 0.000 . . . . . . . 129 ILE H . 53392 1 1133 . 1 . 1 129 129 ILE HB H 1 2.019 0.000 . . . . . . . 129 ILE HB . 53392 1 1134 . 1 . 1 129 129 ILE HG12 H 1 1.252 0.000 . . . . . . . 129 ILE HG12 . 53392 1 1135 . 1 . 1 129 129 ILE HG13 H 1 1.252 0.000 . . . . . . . 129 ILE HG13 . 53392 1 1136 . 1 . 1 129 129 ILE HG21 H 1 0.665 0.000 . . . . . . . 129 ILE HG2 . 53392 1 1137 . 1 . 1 129 129 ILE HG22 H 1 0.665 0.000 . . . . . . . 129 ILE HG2 . 53392 1 1138 . 1 . 1 129 129 ILE HG23 H 1 0.665 0.000 . . . . . . . 129 ILE HG2 . 53392 1 1139 . 1 . 1 129 129 ILE HD11 H 1 0.461 0.000 . . . . . . . 129 ILE HD1 . 53392 1 1140 . 1 . 1 129 129 ILE HD12 H 1 0.461 0.000 . . . . . . . 129 ILE HD1 . 53392 1 1141 . 1 . 1 129 129 ILE HD13 H 1 0.461 0.000 . . . . . . . 129 ILE HD1 . 53392 1 1142 . 1 . 1 129 129 ILE C C 13 173.103 0.000 . . . . . . . 129 ILE C . 53392 1 1143 . 1 . 1 129 129 ILE CA C 13 55.044 0.000 . . . . . . . 129 ILE CA . 53392 1 1144 . 1 . 1 129 129 ILE CB C 13 39.642 0.000 . . . . . . . 129 ILE CB . 53392 1 1145 . 1 . 1 129 129 ILE CG1 C 13 22.821 0.000 . . . . . . . 129 ILE CG1 . 53392 1 1146 . 1 . 1 129 129 ILE CG2 C 13 17.500 0.000 . . . . . . . 129 ILE CG2 . 53392 1 1147 . 1 . 1 129 129 ILE CD1 C 13 9.247 0.000 . . . . . . . 129 ILE CD1 . 53392 1 1148 . 1 . 1 129 129 ILE N N 15 115.350 0.000 . . . . . . . 129 ILE N . 53392 1 1149 . 1 . 1 130 130 ASP H H 1 8.595 0.000 . . . . . . . 130 ASP H . 53392 1 1150 . 1 . 1 130 130 ASP HA H 1 5.106 0.000 . . . . . . . 130 ASP HA . 53392 1 1151 . 1 . 1 130 130 ASP HB2 H 1 2.871 0.000 . . . . . . . 130 ASP HB2 . 53392 1 1152 . 1 . 1 130 130 ASP C C 13 175.957 0.000 . . . . . . . 130 ASP C . 53392 1 1153 . 1 . 1 130 130 ASP CA C 13 49.189 0.000 . . . . . . . 130 ASP CA . 53392 1 1154 . 1 . 1 130 130 ASP CB C 13 40.178 0.000 . . . . . . . 130 ASP CB . 53392 1 1155 . 1 . 1 130 130 ASP N N 15 125.764 0.000 . . . . . . . 130 ASP N . 53392 1 1156 . 1 . 1 131 131 GLU H H 1 8.909 0.000 . . . . . . . 131 GLU H . 53392 1 1157 . 1 . 1 131 131 GLU HA H 1 4.012 0.000 . . . . . . . 131 GLU HA . 53392 1 1158 . 1 . 1 131 131 GLU HB2 H 1 2.021 0.000 . . . . . . . 131 GLU HB2 . 53392 1 1159 . 1 . 1 131 131 GLU HB3 H 1 2.021 0.000 . . . . . . . 131 GLU HB3 . 53392 1 1160 . 1 . 1 131 131 GLU HG2 H 1 2.241 0.000 . . . . . . . 131 GLU HG2 . 53392 1 1161 . 1 . 1 131 131 GLU HG3 H 1 2.279 0.000 . . . . . . . 131 GLU HG3 . 53392 1 1162 . 1 . 1 131 131 GLU C C 13 174.605 0.000 . . . . . . . 131 GLU C . 53392 1 1163 . 1 . 1 131 131 GLU CA C 13 56.251 0.000 . . . . . . . 131 GLU CA . 53392 1 1164 . 1 . 1 131 131 GLU CB C 13 26.448 0.000 . . . . . . . 131 GLU CB . 53392 1 1165 . 1 . 1 131 131 GLU CG C 13 36.200 0.000 . . . . . . . 131 GLU CG . 53392 1 1166 . 1 . 1 131 131 GLU N N 15 117.286 0.000 . . . . . . . 131 GLU N . 53392 1 1167 . 1 . 1 132 132 ASP H H 1 7.929 0.000 . . . . . . . 132 ASP H . 53392 1 1168 . 1 . 1 132 132 ASP HA H 1 4.753 0.000 . . . . . . . 132 ASP HA . 53392 1 1169 . 1 . 1 132 132 ASP HB2 H 1 2.791 0.000 . . . . . . . 132 ASP HB2 . 53392 1 1170 . 1 . 1 132 132 ASP HB3 H 1 2.791 0.000 . . . . . . . 132 ASP HB3 . 53392 1 1171 . 1 . 1 132 132 ASP C C 13 172.884 0.000 . . . . . . . 132 ASP C . 53392 1 1172 . 1 . 1 132 132 ASP CA C 13 52.229 0.000 . . . . . . . 132 ASP CA . 53392 1 1173 . 1 . 1 132 132 ASP CB C 13 39.631 0.000 . . . . . . . 132 ASP CB . 53392 1 1174 . 1 . 1 132 132 ASP N N 15 117.860 0.000 . . . . . . . 132 ASP N . 53392 1 1175 . 1 . 1 133 133 GLY H H 1 8.173 0.000 . . . . . . . 133 GLY H . 53392 1 1176 . 1 . 1 133 133 GLY HA2 H 1 4.401 0.000 . . . . . . . 133 GLY HA2 . 53392 1 1177 . 1 . 1 133 133 GLY HA3 H 1 3.542 0.000 . . . . . . . 133 GLY HA3 . 53392 1 1178 . 1 . 1 133 133 GLY C C 13 171.940 0.000 . . . . . . . 133 GLY C . 53392 1 1179 . 1 . 1 133 133 GLY CA C 13 42.494 0.000 . . . . . . . 133 GLY CA . 53392 1 1180 . 1 . 1 133 133 GLY N N 15 107.328 0.000 . . . . . . . 133 GLY N . 53392 1 1181 . 1 . 1 134 134 TYR H H 1 8.645 0.000 . . . . . . . 134 TYR H . 53392 1 1182 . 1 . 1 134 134 TYR HA H 1 4.908 0.000 . . . . . . . 134 TYR HA . 53392 1 1183 . 1 . 1 134 134 TYR HB2 H 1 3.327 0.000 . . . . . . . 134 TYR HB2 . 53392 1 1184 . 1 . 1 134 134 TYR HB3 H 1 2.846 0.000 . . . . . . . 134 TYR HB3 . 53392 1 1185 . 1 . 1 134 134 TYR C C 13 172.841 0.000 . . . . . . . 134 TYR C . 53392 1 1186 . 1 . 1 134 134 TYR CA C 13 56.090 0.000 . . . . . . . 134 TYR CA . 53392 1 1187 . 1 . 1 134 134 TYR CB C 13 35.414 0.000 . . . . . . . 134 TYR CB . 53392 1 1188 . 1 . 1 134 134 TYR N N 15 122.017 0.000 . . . . . . . 134 TYR N . 53392 1 1189 . 1 . 1 135 135 ILE H H 1 9.479 0.000 . . . . . . . 135 ILE H . 53392 1 1190 . 1 . 1 135 135 ILE HA H 1 4.645 0.000 . . . . . . . 135 ILE HA . 53392 1 1191 . 1 . 1 135 135 ILE HG12 H 1 1.462 0.000 . . . . . . . 135 ILE HG12 . 53392 1 1192 . 1 . 1 135 135 ILE HG13 H 1 1.462 0.000 . . . . . . . 135 ILE HG13 . 53392 1 1193 . 1 . 1 135 135 ILE HG21 H 1 0.711 0.000 . . . . . . . 135 ILE HG2 . 53392 1 1194 . 1 . 1 135 135 ILE HG22 H 1 0.711 0.000 . . . . . . . 135 ILE HG2 . 53392 1 1195 . 1 . 1 135 135 ILE HG23 H 1 0.711 0.000 . . . . . . . 135 ILE HG2 . 53392 1 1196 . 1 . 1 135 135 ILE HD11 H 1 0.625 0.000 . . . . . . . 135 ILE HD1 . 53392 1 1197 . 1 . 1 135 135 ILE HD12 H 1 0.625 0.000 . . . . . . . 135 ILE HD1 . 53392 1 1198 . 1 . 1 135 135 ILE HD13 H 1 0.625 0.000 . . . . . . . 135 ILE HD1 . 53392 1 1199 . 1 . 1 135 135 ILE C C 13 171.752 0.000 . . . . . . . 135 ILE C . 53392 1 1200 . 1 . 1 135 135 ILE CA C 13 58.423 0.000 . . . . . . . 135 ILE CA . 53392 1 1201 . 1 . 1 135 135 ILE CB C 13 29.300 0.000 . . . . . . . 135 ILE CB . 53392 1 1202 . 1 . 1 135 135 ILE CG1 C 13 27.540 0.000 . . . . . . . 135 ILE CG1 . 53392 1 1203 . 1 . 1 135 135 ILE CG2 C 13 17.900 0.000 . . . . . . . 135 ILE CG2 . 53392 1 1204 . 1 . 1 135 135 ILE CD1 C 13 16.056 0.000 . . . . . . . 135 ILE CD1 . 53392 1 1205 . 1 . 1 135 135 ILE N N 15 122.109 0.000 . . . . . . . 135 ILE N . 53392 1 1206 . 1 . 1 136 136 PHE H H 1 8.766 0.000 . . . . . . . 136 PHE H . 53392 1 1207 . 1 . 1 136 136 PHE CA C 13 55.778 0.000 . . . . . . . 136 PHE CA . 53392 1 1208 . 1 . 1 136 136 PHE CB C 13 40.244 0.000 . . . . . . . 136 PHE CB . 53392 1 1209 . 1 . 1 136 136 PHE N N 15 118.685 0.000 . . . . . . . 136 PHE N . 53392 1 1210 . 1 . 1 137 137 CYS HA H 1 3.698 0.000 . . . . . . . 137 CYS HA . 53392 1 1211 . 1 . 1 137 137 CYS HB2 H 1 2.408 0.000 . . . . . . . 137 CYS HB2 . 53392 1 1212 . 1 . 1 137 137 CYS HB3 H 1 2.502 0.000 . . . . . . . 137 CYS HB3 . 53392 1 1213 . 1 . 1 137 137 CYS C C 13 174.429 0.000 . . . . . . . 137 CYS C . 53392 1 1214 . 1 . 1 137 137 CYS CA C 13 55.929 0.000 . . . . . . . 137 CYS CA . 53392 1 1215 . 1 . 1 137 137 CYS CB C 13 24.151 0.000 . . . . . . . 137 CYS CB . 53392 1 1216 . 1 . 1 138 138 GLU H H 1 8.250 0.000 . . . . . . . 138 GLU H . 53392 1 1217 . 1 . 1 138 138 GLU HA H 1 3.620 0.000 . . . . . . . 138 GLU HA . 53392 1 1218 . 1 . 1 138 138 GLU HB2 H 1 1.954 0.000 . . . . . . . 138 GLU HB2 . 53392 1 1219 . 1 . 1 138 138 GLU HB3 H 1 1.900 0.000 . . . . . . . 138 GLU HB3 . 53392 1 1220 . 1 . 1 138 138 GLU C C 13 174.558 0.000 . . . . . . . 138 GLU C . 53392 1 1221 . 1 . 1 138 138 GLU CA C 13 57.520 0.000 . . . . . . . 138 GLU CA . 53392 1 1222 . 1 . 1 138 138 GLU CB C 13 26.984 0.000 . . . . . . . 138 GLU CB . 53392 1 1223 . 1 . 1 138 138 GLU CG C 13 32.317 0.000 . . . . . . . 138 GLU CG . 53392 1 1224 . 1 . 1 138 138 GLU N N 15 127.134 0.000 . . . . . . . 138 GLU N . 53392 1 1225 . 1 . 1 139 139 ALA H H 1 8.230 0.000 . . . . . . . 139 ALA H . 53392 1 1226 . 1 . 1 139 139 ALA HA H 1 4.066 0.000 . . . . . . . 139 ALA HA . 53392 1 1227 . 1 . 1 139 139 ALA HB1 H 1 1.196 0.000 . . . . . . . 139 ALA HB . 53392 1 1228 . 1 . 1 139 139 ALA HB2 H 1 1.196 0.000 . . . . . . . 139 ALA HB . 53392 1 1229 . 1 . 1 139 139 ALA HB3 H 1 1.196 0.000 . . . . . . . 139 ALA HB . 53392 1 1230 . 1 . 1 139 139 ALA C C 13 175.454 0.000 . . . . . . . 139 ALA C . 53392 1 1231 . 1 . 1 139 139 ALA CA C 13 50.298 0.000 . . . . . . . 139 ALA CA . 53392 1 1232 . 1 . 1 139 139 ALA CB C 13 16.589 0.000 . . . . . . . 139 ALA CB . 53392 1 1233 . 1 . 1 139 139 ALA N N 15 116.205 0.000 . . . . . . . 139 ALA N . 53392 1 1234 . 1 . 1 140 140 ARG H H 1 7.616 0.000 . . . . . . . 140 ARG H . 53392 1 1235 . 1 . 1 140 140 ARG HD3 H 1 3.180 0.000 . . . . . . . 140 ARG HD3 . 53392 1 1236 . 1 . 1 140 140 ARG CA C 13 50.500 0.000 . . . . . . . 140 ARG CA . 53392 1 1237 . 1 . 1 140 140 ARG CB C 13 28.093 0.000 . . . . . . . 140 ARG CB . 53392 1 1238 . 1 . 1 140 140 ARG CG C 13 27.300 0.000 . . . . . . . 140 ARG CG . 53392 1 1239 . 1 . 1 140 140 ARG CD C 13 43.300 0.000 . . . . . . . 140 ARG CD . 53392 1 1240 . 1 . 1 140 140 ARG N N 15 116.809 0.000 . . . . . . . 140 ARG N . 53392 1 1241 . 1 . 1 141 141 PRO HA H 1 4.102 0.000 . . . . . . . 141 PRO HA . 53392 1 1242 . 1 . 1 141 141 PRO HB2 H 1 1.337 0.000 . . . . . . . 141 PRO HB2 . 53392 1 1243 . 1 . 1 141 141 PRO HB3 H 1 1.376 0.000 . . . . . . . 141 PRO HB3 . 53392 1 1244 . 1 . 1 141 141 PRO HG2 H 1 1.665 0.000 . . . . . . . 141 PRO HG2 . 53392 1 1245 . 1 . 1 141 141 PRO HG3 H 1 1.735 0.000 . . . . . . . 141 PRO HG3 . 53392 1 1246 . 1 . 1 141 141 PRO HD2 H 1 3.422 0.000 . . . . . . . 141 PRO HD2 . 53392 1 1247 . 1 . 1 141 141 PRO HD3 H 1 3.339 0.000 . . . . . . . 141 PRO HD3 . 53392 1 1248 . 1 . 1 141 141 PRO C C 13 171.837 0.000 . . . . . . . 141 PRO C . 53392 1 1249 . 1 . 1 141 141 PRO CA C 13 61.078 0.000 . . . . . . . 141 PRO CA . 53392 1 1250 . 1 . 1 141 141 PRO CB C 13 28.335 0.000 . . . . . . . 141 PRO CB . 53392 1 1251 . 1 . 1 141 141 PRO CG C 13 26.534 0.000 . . . . . . . 141 PRO CG . 53392 1 1252 . 1 . 1 141 141 PRO CD C 13 46.564 0.000 . . . . . . . 141 PRO CD . 53392 1 1253 . 1 . 1 142 142 ASP H H 1 8.855 0.000 . . . . . . . 142 ASP H . 53392 1 1254 . 1 . 1 142 142 ASP HB2 H 1 2.682 0.000 . . . . . . . 142 ASP HB2 . 53392 1 1255 . 1 . 1 142 142 ASP HB3 H 1 2.682 0.000 . . . . . . . 142 ASP HB3 . 53392 1 1256 . 1 . 1 142 142 ASP C C 13 171.211 0.000 . . . . . . . 142 ASP C . 53392 1 1257 . 1 . 1 142 142 ASP CA C 13 51.120 0.000 . . . . . . . 142 ASP CA . 53392 1 1258 . 1 . 1 142 142 ASP CB C 13 36.460 0.000 . . . . . . . 142 ASP CB . 53392 1 1259 . 1 . 1 142 142 ASP N N 15 112.185 0.000 . . . . . . . 142 ASP N . 53392 1 1260 . 1 . 1 143 143 LEU H H 1 7.978 0.000 . . . . . . . 143 LEU H . 53392 1 1261 . 1 . 1 143 143 LEU HA H 1 4.853 0.000 . . . . . . . 143 LEU HA . 53392 1 1262 . 1 . 1 143 143 LEU HB2 H 1 1.923 0.000 . . . . . . . 143 LEU HB2 . 53392 1 1263 . 1 . 1 143 143 LEU HB3 H 1 1.891 0.000 . . . . . . . 143 LEU HB3 . 53392 1 1264 . 1 . 1 143 143 LEU HG H 1 1.891 0.000 . . . . . . . 143 LEU HG . 53392 1 1265 . 1 . 1 143 143 LEU HD11 H 1 0.906 0.000 . . . . . . . 143 LEU HD1 . 53392 1 1266 . 1 . 1 143 143 LEU HD12 H 1 0.906 0.000 . . . . . . . 143 LEU HD1 . 53392 1 1267 . 1 . 1 143 143 LEU HD13 H 1 0.906 0.000 . . . . . . . 143 LEU HD1 . 53392 1 1268 . 1 . 1 143 143 LEU HD21 H 1 0.459 0.000 . . . . . . . 143 LEU HD2 . 53392 1 1269 . 1 . 1 143 143 LEU HD22 H 1 0.459 0.000 . . . . . . . 143 LEU HD2 . 53392 1 1270 . 1 . 1 143 143 LEU HD23 H 1 0.459 0.000 . . . . . . . 143 LEU HD2 . 53392 1 1271 . 1 . 1 143 143 LEU C C 13 171.733 0.000 . . . . . . . 143 LEU C . 53392 1 1272 . 1 . 1 143 143 LEU CA C 13 50.861 0.000 . . . . . . . 143 LEU CA . 53392 1 1273 . 1 . 1 143 143 LEU CB C 13 40.161 0.000 . . . . . . . 143 LEU CB . 53392 1 1274 . 1 . 1 143 143 LEU CG C 13 26.900 0.000 . . . . . . . 143 LEU CG . 53392 1 1275 . 1 . 1 143 143 LEU CD1 C 13 21.570 0.000 . . . . . . . 143 LEU CD1 . 53392 1 1276 . 1 . 1 143 143 LEU CD2 C 13 18.030 0.000 . . . . . . . 143 LEU CD2 . 53392 1 1277 . 1 . 1 143 143 LEU N N 15 123.219 0.000 . . . . . . . 143 LEU N . 53392 1 1278 . 1 . 1 144 144 VAL H H 1 8.984 0.000 . . . . . . . 144 VAL H . 53392 1 1279 . 1 . 1 144 144 VAL HA H 1 3.237 0.000 . . . . . . . 144 VAL HA . 53392 1 1280 . 1 . 1 144 144 VAL HG11 H 1 0.875 0.000 . . . . . . . 144 VAL HG1 . 53392 1 1281 . 1 . 1 144 144 VAL HG12 H 1 0.875 0.000 . . . . . . . 144 VAL HG1 . 53392 1 1282 . 1 . 1 144 144 VAL HG13 H 1 0.875 0.000 . . . . . . . 144 VAL HG1 . 53392 1 1283 . 1 . 1 144 144 VAL HG21 H 1 0.813 0.000 . . . . . . . 144 VAL HG2 . 53392 1 1284 . 1 . 1 144 144 VAL HG22 H 1 0.813 0.000 . . . . . . . 144 VAL HG2 . 53392 1 1285 . 1 . 1 144 144 VAL HG23 H 1 0.813 0.000 . . . . . . . 144 VAL HG2 . 53392 1 1286 . 1 . 1 144 144 VAL C C 13 173.594 0.000 . . . . . . . 144 VAL C . 53392 1 1287 . 1 . 1 144 144 VAL CA C 13 61.900 0.000 . . . . . . . 144 VAL CA . 53392 1 1288 . 1 . 1 144 144 VAL CB C 13 31.633 0.000 . . . . . . . 144 VAL CB . 53392 1 1289 . 1 . 1 144 144 VAL CG1 C 13 20.600 0.000 . . . . . . . 144 VAL CG1 . 53392 1 1290 . 1 . 1 144 144 VAL CG2 C 13 17.313 0.000 . . . . . . . 144 VAL CG2 . 53392 1 1291 . 1 . 1 144 144 VAL N N 15 112.675 0.000 . . . . . . . 144 VAL N . 53392 1 1292 . 1 . 1 145 145 LEU H H 1 8.537 0.000 . . . . . . . 145 LEU H . 53392 1 1293 . 1 . 1 145 145 LEU HA H 1 4.371 0.000 . . . . . . . 145 LEU HA . 53392 1 1294 . 1 . 1 145 145 LEU HB2 H 1 1.562 0.000 . . . . . . . 145 LEU HB2 . 53392 1 1295 . 1 . 1 145 145 LEU HB3 H 1 1.477 0.000 . . . . . . . 145 LEU HB3 . 53392 1 1296 . 1 . 1 145 145 LEU HG H 1 1.180 0.000 . . . . . . . 145 LEU HG . 53392 1 1297 . 1 . 1 145 145 LEU HD11 H 1 -0.321 0.000 . . . . . . . 145 LEU HD1 . 53392 1 1298 . 1 . 1 145 145 LEU HD12 H 1 -0.321 0.000 . . . . . . . 145 LEU HD1 . 53392 1 1299 . 1 . 1 145 145 LEU HD13 H 1 -0.321 0.000 . . . . . . . 145 LEU HD1 . 53392 1 1300 . 1 . 1 145 145 LEU HD21 H 1 0.985 0.000 . . . . . . . 145 LEU HD2 . 53392 1 1301 . 1 . 1 145 145 LEU HD22 H 1 0.985 0.000 . . . . . . . 145 LEU HD2 . 53392 1 1302 . 1 . 1 145 145 LEU HD23 H 1 0.985 0.000 . . . . . . . 145 LEU HD2 . 53392 1 1303 . 1 . 1 145 145 LEU C C 13 175.867 0.000 . . . . . . . 145 LEU C . 53392 1 1304 . 1 . 1 145 145 LEU CA C 13 53.596 0.000 . . . . . . . 145 LEU CA . 53392 1 1305 . 1 . 1 145 145 LEU CB C 13 39.437 0.000 . . . . . . . 145 LEU CB . 53392 1 1306 . 1 . 1 145 145 LEU CD1 C 13 21.524 0.000 . . . . . . . 145 LEU CD1 . 53392 1 1307 . 1 . 1 145 145 LEU CD2 C 13 19.577 0.000 . . . . . . . 145 LEU CD2 . 53392 1 1308 . 1 . 1 145 145 LEU N N 15 118.885 0.000 . . . . . . . 145 LEU N . 53392 1 1309 . 1 . 1 146 146 ASP H H 1 9.213 0.000 . . . . . . . 146 ASP H . 53392 1 1310 . 1 . 1 146 146 ASP HA H 1 5.122 0.000 . . . . . . . 146 ASP HA . 53392 1 1311 . 1 . 1 146 146 ASP HB2 H 1 2.596 0.000 . . . . . . . 146 ASP HB2 . 53392 1 1312 . 1 . 1 146 146 ASP HB3 H 1 2.236 0.000 . . . . . . . 146 ASP HB3 . 53392 1 1313 . 1 . 1 146 146 ASP C C 13 171.811 0.000 . . . . . . . 146 ASP C . 53392 1 1314 . 1 . 1 146 146 ASP CA C 13 49.895 0.000 . . . . . . . 146 ASP CA . 53392 1 1315 . 1 . 1 146 146 ASP CB C 13 44.147 0.000 . . . . . . . 146 ASP CB . 53392 1 1316 . 1 . 1 146 146 ASP N N 15 124.853 0.000 . . . . . . . 146 ASP N . 53392 1 1317 . 1 . 1 147 147 ILE H H 1 8.306 0.000 . . . . . . . 147 ILE H . 53392 1 1318 . 1 . 1 147 147 ILE CA C 13 59.438 0.000 . . . . . . . 147 ILE CA . 53392 1 1319 . 1 . 1 147 147 ILE CB C 13 36.978 0.000 . . . . . . . 147 ILE CB . 53392 1 1320 . 1 . 1 147 147 ILE CG2 C 13 17.500 0.000 . . . . . . . 147 ILE CG2 . 53392 1 1321 . 1 . 1 147 147 ILE N N 15 122.315 0.000 . . . . . . . 147 ILE N . 53392 1 1322 . 1 . 1 148 148 GLN HA H 1 3.722 0.000 . . . . . . . 148 GLN HA . 53392 1 1323 . 1 . 1 148 148 GLN HB2 H 1 2.017 0.000 . . . . . . . 148 GLN HB2 . 53392 1 1324 . 1 . 1 148 148 GLN HB3 H 1 1.941 0.000 . . . . . . . 148 GLN HB3 . 53392 1 1325 . 1 . 1 148 148 GLN C C 13 174.215 0.000 . . . . . . . 148 GLN C . 53392 1 1326 . 1 . 1 148 148 GLN CA C 13 55.410 0.000 . . . . . . . 148 GLN CA . 53392 1 1327 . 1 . 1 148 148 GLN CB C 13 27.521 0.000 . . . . . . . 148 GLN CB . 53392 1 1328 . 1 . 1 148 148 GLN CG C 13 34.000 0.000 . . . . . . . 148 GLN CG . 53392 1 1329 . 1 . 1 149 149 GLY H H 1 9.110 0.000 . . . . . . . 149 GLY H . 53392 1 1330 . 1 . 1 149 149 GLY HA2 H 1 3.651 0.000 . . . . . . . 149 GLY HA2 . 53392 1 1331 . 1 . 1 149 149 GLY HA3 H 1 3.605 0.000 . . . . . . . 149 GLY HA3 . 53392 1 1332 . 1 . 1 149 149 GLY C C 13 170.956 0.000 . . . . . . . 149 GLY C . 53392 1 1333 . 1 . 1 149 149 GLY CA C 13 42.977 0.000 . . . . . . . 149 GLY CA . 53392 1 1334 . 1 . 1 149 149 GLY N N 15 116.260 0.000 . . . . . . . 149 GLY N . 53392 1 1335 . 1 . 1 150 150 ALA H H 1 8.559 0.000 . . . . . . . 150 ALA H . 53392 1 1336 . 1 . 1 150 150 ALA HA H 1 3.143 0.000 . . . . . . . 150 ALA HA . 53392 1 1337 . 1 . 1 150 150 ALA HB1 H 1 0.914 0.000 . . . . . . . 150 ALA HB . 53392 1 1338 . 1 . 1 150 150 ALA HB2 H 1 0.914 0.000 . . . . . . . 150 ALA HB . 53392 1 1339 . 1 . 1 150 150 ALA HB3 H 1 0.914 0.000 . . . . . . . 150 ALA HB . 53392 1 1340 . 1 . 1 150 150 ALA C C 13 172.627 0.000 . . . . . . . 150 ALA C . 53392 1 1341 . 1 . 1 150 150 ALA CA C 13 49.895 0.000 . . . . . . . 150 ALA CA . 53392 1 1342 . 1 . 1 150 150 ALA CB C 13 14.256 0.000 . . . . . . . 150 ALA CB . 53392 1 1343 . 1 . 1 150 150 ALA N N 15 120.427 0.000 . . . . . . . 150 ALA N . 53392 1 1344 . 1 . 1 151 151 GLU H H 1 7.248 0.000 . . . . . . . 151 GLU H . 53392 1 1345 . 1 . 1 151 151 GLU HA H 1 3.972 0.000 . . . . . . . 151 GLU HA . 53392 1 1346 . 1 . 1 151 151 GLU HB2 H 1 2.048 0.000 . . . . . . . 151 GLU HB2 . 53392 1 1347 . 1 . 1 151 151 GLU HB3 H 1 1.970 0.000 . . . . . . . 151 GLU HB3 . 53392 1 1348 . 1 . 1 151 151 GLU HG3 H 1 1.767 0.000 . . . . . . . 151 GLU HG3 . 53392 1 1349 . 1 . 1 151 151 GLU C C 13 173.292 0.000 . . . . . . . 151 GLU C . 53392 1 1350 . 1 . 1 151 151 GLU CA C 13 54.159 0.000 . . . . . . . 151 GLU CA . 53392 1 1351 . 1 . 1 151 151 GLU CB C 13 27.450 0.000 . . . . . . . 151 GLU CB . 53392 1 1352 . 1 . 1 151 151 GLU CG C 13 36.200 0.000 . . . . . . . 151 GLU CG . 53392 1 1353 . 1 . 1 151 151 GLU N N 15 118.421 0.000 . . . . . . . 151 GLU N . 53392 1 1354 . 1 . 1 152 152 ASP H H 1 8.784 0.000 . . . . . . . 152 ASP H . 53392 1 1355 . 1 . 1 152 152 ASP HA H 1 4.563 0.000 . . . . . . . 152 ASP HA . 53392 1 1356 . 1 . 1 152 152 ASP HB2 H 1 2.783 0.000 . . . . . . . 152 ASP HB2 . 53392 1 1357 . 1 . 1 152 152 ASP HB3 H 1 2.301 0.000 . . . . . . . 152 ASP HB3 . 53392 1 1358 . 1 . 1 152 152 ASP C C 13 171.503 0.000 . . . . . . . 152 ASP C . 53392 1 1359 . 1 . 1 152 152 ASP CA C 13 49.815 0.000 . . . . . . . 152 ASP CA . 53392 1 1360 . 1 . 1 152 152 ASP CB C 13 37.067 0.000 . . . . . . . 152 ASP CB . 53392 1 1361 . 1 . 1 152 152 ASP N N 15 125.420 0.000 . . . . . . . 152 ASP N . 53392 1 1362 . 1 . 1 153 153 GLU H H 1 7.221 0.000 . . . . . . . 153 GLU H . 53392 1 1363 . 1 . 1 153 153 GLU HA H 1 4.285 0.000 . . . . . . . 153 GLU HA . 53392 1 1364 . 1 . 1 153 153 GLU HB2 H 1 2.033 0.000 . . . . . . . 153 GLU HB2 . 53392 1 1365 . 1 . 1 153 153 GLU HB3 H 1 1.845 0.000 . . . . . . . 153 GLU HB3 . 53392 1 1366 . 1 . 1 153 153 GLU HG2 H 1 2.314 0.000 . . . . . . . 153 GLU HG2 . 53392 1 1367 . 1 . 1 153 153 GLU HG3 H 1 2.314 0.000 . . . . . . . 153 GLU HG3 . 53392 1 1368 . 1 . 1 153 153 GLU C C 13 172.820 0.000 . . . . . . . 153 GLU C . 53392 1 1369 . 1 . 1 153 153 GLU CA C 13 51.585 0.000 . . . . . . . 153 GLU CA . 53392 1 1370 . 1 . 1 153 153 GLU CB C 13 30.507 0.000 . . . . . . . 153 GLU CB . 53392 1 1371 . 1 . 1 153 153 GLU CG C 13 36.200 0.000 . . . . . . . 153 GLU CG . 53392 1 1372 . 1 . 1 153 153 GLU N N 15 119.303 0.000 . . . . . . . 153 GLU N . 53392 1 1373 . 1 . 1 154 154 ASP H H 1 8.874 0.000 . . . . . . . 154 ASP H . 53392 1 1374 . 1 . 1 154 154 ASP HA H 1 4.383 0.000 . . . . . . . 154 ASP HA . 53392 1 1375 . 1 . 1 154 154 ASP HB2 H 1 2.631 0.000 . . . . . . . 154 ASP HB2 . 53392 1 1376 . 1 . 1 154 154 ASP HB3 H 1 2.361 0.000 . . . . . . . 154 ASP HB3 . 53392 1 1377 . 1 . 1 154 154 ASP C C 13 174.226 0.000 . . . . . . . 154 ASP C . 53392 1 1378 . 1 . 1 154 154 ASP CA C 13 53.113 0.000 . . . . . . . 154 ASP CA . 53392 1 1379 . 1 . 1 154 154 ASP CB C 13 39.115 0.000 . . . . . . . 154 ASP CB . 53392 1 1380 . 1 . 1 154 154 ASP N N 15 120.282 0.000 . . . . . . . 154 ASP N . 53392 1 1381 . 1 . 1 155 155 CYS H H 1 9.047 0.000 . . . . . . . 155 CYS H . 53392 1 1382 . 1 . 1 155 155 CYS HA H 1 3.996 0.000 . . . . . . . 155 CYS HA . 53392 1 1383 . 1 . 1 155 155 CYS HB2 H 1 3.245 0.000 . . . . . . . 155 CYS HB2 . 53392 1 1384 . 1 . 1 155 155 CYS HB3 H 1 3.323 0.000 . . . . . . . 155 CYS HB3 . 53392 1 1385 . 1 . 1 155 155 CYS C C 13 170.009 0.000 . . . . . . . 155 CYS C . 53392 1 1386 . 1 . 1 155 155 CYS CA C 13 57.770 0.000 . . . . . . . 155 CYS CA . 53392 1 1387 . 1 . 1 155 155 CYS CB C 13 38.800 0.000 . . . . . . . 155 CYS CB . 53392 1 1388 . 1 . 1 155 155 CYS N N 15 111.475 0.000 . . . . . . . 155 CYS N . 53392 1 1389 . 1 . 1 156 156 VAL H H 1 6.785 0.000 . . . . . . . 156 VAL H . 53392 1 1390 . 1 . 1 156 156 VAL CA C 13 57.556 0.000 . . . . . . . 156 VAL CA . 53392 1 1391 . 1 . 1 156 156 VAL CB C 13 30.810 0.000 . . . . . . . 156 VAL CB . 53392 1 1392 . 1 . 1 156 156 VAL N N 15 122.283 0.000 . . . . . . . 156 VAL N . 53392 1 1393 . 1 . 1 157 157 PRO HA H 1 4.653 0.000 . . . . . . . 157 PRO HA . 53392 1 1394 . 1 . 1 157 157 PRO CA C 13 61.152 0.000 . . . . . . . 157 PRO CA . 53392 1 1395 . 1 . 1 157 157 PRO CB C 13 30.265 0.000 . . . . . . . 157 PRO CB . 53392 1 1396 . 1 . 1 157 157 PRO CG C 13 28.797 0.000 . . . . . . . 157 PRO CG . 53392 1 1397 . 1 . 1 158 158 VAL HA H 1 4.359 0.000 . . . . . . . 158 VAL HA . 53392 1 1398 . 1 . 1 158 158 VAL HB H 1 2.033 0.000 . . . . . . . 158 VAL HB . 53392 1 1399 . 1 . 1 158 158 VAL HG11 H 1 1.070 0.000 . . . . . . . 158 VAL HG1 . 53392 1 1400 . 1 . 1 158 158 VAL HG12 H 1 1.070 0.000 . . . . . . . 158 VAL HG1 . 53392 1 1401 . 1 . 1 158 158 VAL HG13 H 1 1.070 0.000 . . . . . . . 158 VAL HG1 . 53392 1 1402 . 1 . 1 158 158 VAL HG21 H 1 1.070 0.000 . . . . . . . 158 VAL HG2 . 53392 1 1403 . 1 . 1 158 158 VAL HG22 H 1 1.070 0.000 . . . . . . . 158 VAL HG2 . 53392 1 1404 . 1 . 1 158 158 VAL HG23 H 1 1.070 0.000 . . . . . . . 158 VAL HG2 . 53392 1 1405 . 1 . 1 158 158 VAL C C 13 171.318 0.000 . . . . . . . 158 VAL C . 53392 1 1406 . 1 . 1 158 158 VAL CA C 13 59.308 0.000 . . . . . . . 158 VAL CA . 53392 1 1407 . 1 . 1 158 158 VAL CB C 13 33.483 0.000 . . . . . . . 158 VAL CB . 53392 1 1408 . 1 . 1 158 158 VAL CG1 C 13 19.421 0.000 . . . . . . . 158 VAL CG1 . 53392 1 1409 . 1 . 1 158 158 VAL CG2 C 13 19.421 0.000 . . . . . . . 158 VAL CG2 . 53392 1 1410 . 1 . 1 159 159 ILE H H 1 9.218 0.000 . . . . . . . 159 ILE H . 53392 1 1411 . 1 . 1 159 159 ILE HA H 1 4.035 0.000 . . . . . . . 159 ILE HA . 53392 1 1412 . 1 . 1 159 159 ILE C C 13 171.211 0.000 . . . . . . . 159 ILE C . 53392 1 1413 . 1 . 1 159 159 ILE CA C 13 61.239 0.000 . . . . . . . 159 ILE CA . 53392 1 1414 . 1 . 1 159 159 ILE CB C 13 36.460 0.000 . . . . . . . 159 ILE CB . 53392 1 1415 . 1 . 1 159 159 ILE CG1 C 13 27.100 0.000 . . . . . . . 159 ILE CG1 . 53392 1 1416 . 1 . 1 159 159 ILE CG2 C 13 17.300 0.000 . . . . . . . 159 ILE CG2 . 53392 1 1417 . 1 . 1 159 159 ILE CD1 C 13 13.400 0.000 . . . . . . . 159 ILE CD1 . 53392 1 1418 . 1 . 1 159 159 ILE N N 15 126.947 0.000 . . . . . . . 159 ILE N . 53392 1 1419 . 1 . 1 160 160 LEU H H 1 7.977 0.000 . . . . . . . 160 LEU H . 53392 1 1420 . 1 . 1 160 160 LEU C C 13 171.704 0.000 . . . . . . . 160 LEU C . 53392 1 1421 . 1 . 1 160 160 LEU CA C 13 51.022 0.000 . . . . . . . 160 LEU CA . 53392 1 1422 . 1 . 1 160 160 LEU CB C 13 40.080 0.000 . . . . . . . 160 LEU CB . 53392 1 1423 . 1 . 1 160 160 LEU CG C 13 27.200 0.000 . . . . . . . 160 LEU CG . 53392 1 1424 . 1 . 1 160 160 LEU CD1 C 13 25.700 0.000 . . . . . . . 160 LEU CD1 . 53392 1 1425 . 1 . 1 160 160 LEU CD2 C 13 23.700 0.000 . . . . . . . 160 LEU CD2 . 53392 1 1426 . 1 . 1 160 160 LEU N N 15 123.291 0.000 . . . . . . . 160 LEU N . 53392 1 1427 . 1 . 1 161 161 TYR H H 1 8.732 0.000 . . . . . . . 161 TYR H . 53392 1 1428 . 1 . 1 161 161 TYR HA H 1 4.457 0.000 . . . . . . . 161 TYR HA . 53392 1 1429 . 1 . 1 161 161 TYR HB2 H 1 2.736 0.000 . . . . . . . 161 TYR HB2 . 53392 1 1430 . 1 . 1 161 161 TYR HB3 H 1 2.815 0.000 . . . . . . . 161 TYR HB3 . 53392 1 1431 . 1 . 1 161 161 TYR C C 13 170.438 0.000 . . . . . . . 161 TYR C . 53392 1 1432 . 1 . 1 161 161 TYR CA C 13 55.768 0.000 . . . . . . . 161 TYR CA . 53392 1 1433 . 1 . 1 161 161 TYR CB C 13 41.894 0.000 . . . . . . . 161 TYR CB . 53392 1 1434 . 1 . 1 161 161 TYR N N 15 121.877 0.000 . . . . . . . 161 TYR N . 53392 1 1435 . 1 . 1 162 162 GLU H H 1 6.768 0.000 . . . . . . . 162 GLU H . 53392 1 1436 . 1 . 1 162 162 GLU HA H 1 4.512 0.000 . . . . . . . 162 GLU HA . 53392 1 1437 . 1 . 1 162 162 GLU HB2 H 1 1.951 0.000 . . . . . . . 162 GLU HB2 . 53392 1 1438 . 1 . 1 162 162 GLU HB3 H 1 1.892 0.000 . . . . . . . 162 GLU HB3 . 53392 1 1439 . 1 . 1 162 162 GLU C C 13 173.936 0.000 . . . . . . . 162 GLU C . 53392 1 1440 . 1 . 1 162 162 GLU CA C 13 54.159 0.000 . . . . . . . 162 GLU CA . 53392 1 1441 . 1 . 1 162 162 GLU CB C 13 26.967 0.000 . . . . . . . 162 GLU CB . 53392 1 1442 . 1 . 1 162 162 GLU CG C 13 32.569 0.000 . . . . . . . 162 GLU CG . 53392 1 1443 . 1 . 1 162 162 GLU N N 15 121.175 0.000 . . . . . . . 162 GLU N . 53392 1 1444 . 1 . 1 163 163 ARG H H 1 8.436 0.000 . . . . . . . 163 ARG H . 53392 1 1445 . 1 . 1 163 163 ARG HA H 1 4.078 0.000 . . . . . . . 163 ARG HA . 53392 1 1446 . 1 . 1 163 163 ARG HB2 H 1 1.837 0.000 . . . . . . . 163 ARG HB2 . 53392 1 1447 . 1 . 1 163 163 ARG HB3 H 1 1.032 0.000 . . . . . . . 163 ARG HB3 . 53392 1 1448 . 1 . 1 163 163 ARG HG2 H 1 1.459 0.000 . . . . . . . 163 ARG HG2 . 53392 1 1449 . 1 . 1 163 163 ARG HG3 H 1 1.490 0.000 . . . . . . . 163 ARG HG3 . 53392 1 1450 . 1 . 1 163 163 ARG HD3 H 1 2.544 0.000 . . . . . . . 163 ARG HD3 . 53392 1 1451 . 1 . 1 163 163 ARG C C 13 173.700 0.000 . . . . . . . 163 ARG C . 53392 1 1452 . 1 . 1 163 163 ARG CA C 13 54.159 0.000 . . . . . . . 163 ARG CA . 53392 1 1453 . 1 . 1 163 163 ARG CB C 13 28.174 0.000 . . . . . . . 163 ARG CB . 53392 1 1454 . 1 . 1 163 163 ARG CG C 13 26.534 0.000 . . . . . . . 163 ARG CG . 53392 1 1455 . 1 . 1 163 163 ARG CD C 13 39.107 0.000 . . . . . . . 163 ARG CD . 53392 1 1456 . 1 . 1 163 163 ARG N N 15 124.059 0.000 . . . . . . . 163 ARG N . 53392 1 1457 . 1 . 1 164 164 ARG H H 1 9.818 0.000 . . . . . . . 164 ARG H . 53392 1 1458 . 1 . 1 164 164 ARG HA H 1 4.465 0.000 . . . . . . . 164 ARG HA . 53392 1 1459 . 1 . 1 164 164 ARG HB2 H 1 2.220 0.000 . . . . . . . 164 ARG HB2 . 53392 1 1460 . 1 . 1 164 164 ARG HB3 H 1 2.181 0.000 . . . . . . . 164 ARG HB3 . 53392 1 1461 . 1 . 1 164 164 ARG HG2 H 1 1.735 0.000 . . . . . . . 164 ARG HG2 . 53392 1 1462 . 1 . 1 164 164 ARG HG3 H 1 1.477 0.000 . . . . . . . 164 ARG HG3 . 53392 1 1463 . 1 . 1 164 164 ARG HD2 H 1 3.073 0.000 . . . . . . . 164 ARG HD2 . 53392 1 1464 . 1 . 1 164 164 ARG HD3 H 1 3.127 0.000 . . . . . . . 164 ARG HD3 . 53392 1 1465 . 1 . 1 164 164 ARG C C 13 172.455 0.000 . . . . . . . 164 ARG C . 53392 1 1466 . 1 . 1 164 164 ARG CA C 13 52.148 0.000 . . . . . . . 164 ARG CA . 53392 1 1467 . 1 . 1 164 164 ARG CB C 13 29.300 0.000 . . . . . . . 164 ARG CB . 53392 1 1468 . 1 . 1 164 164 ARG CG C 13 27.494 0.000 . . . . . . . 164 ARG CG . 53392 1 1469 . 1 . 1 164 164 ARG CD C 13 43.100 0.000 . . . . . . . 164 ARG CD . 53392 1 1470 . 1 . 1 164 164 ARG N N 15 130.431 0.000 . . . . . . . 164 ARG N . 53392 1 1471 . 1 . 1 165 165 GLU H H 1 8.422 0.000 . . . . . . . 165 GLU H . 53392 1 1472 . 1 . 1 165 165 GLU HA H 1 4.363 0.000 . . . . . . . 165 GLU HA . 53392 1 1473 . 1 . 1 165 165 GLU HB2 H 1 2.095 0.000 . . . . . . . 165 GLU HB2 . 53392 1 1474 . 1 . 1 165 165 GLU HB3 H 1 2.040 0.000 . . . . . . . 165 GLU HB3 . 53392 1 1475 . 1 . 1 165 165 GLU C C 13 174.334 0.000 . . . . . . . 165 GLU C . 53392 1 1476 . 1 . 1 165 165 GLU CA C 13 52.711 0.000 . . . . . . . 165 GLU CA . 53392 1 1477 . 1 . 1 165 165 GLU CB C 13 28.808 0.000 . . . . . . . 165 GLU CB . 53392 1 1478 . 1 . 1 165 165 GLU CG C 13 36.200 0.000 . . . . . . . 165 GLU CG . 53392 1 1479 . 1 . 1 165 165 GLU N N 15 121.100 0.000 . . . . . . . 165 GLU N . 53392 1 1480 . 1 . 1 166 166 GLY H H 1 8.590 0.000 . . . . . . . 166 GLY H . 53392 1 1481 . 1 . 1 166 166 GLY HA2 H 1 3.902 0.000 . . . . . . . 166 GLY HA2 . 53392 1 1482 . 1 . 1 166 166 GLY HA3 H 1 3.902 0.000 . . . . . . . 166 GLY HA3 . 53392 1 1483 . 1 . 1 166 166 GLY CA C 13 42.494 0.000 . . . . . . . 166 GLY CA . 53392 1 1484 . 1 . 1 166 166 GLY N N 15 108.329 0.000 . . . . . . . 166 GLY N . 53392 1 1485 . 1 . 1 167 167 GLU H H 1 8.179 0.000 . . . . . . . 167 GLU H . 53392 1 1486 . 1 . 1 167 167 GLU HA H 1 4.019 0.000 . . . . . . . 167 GLU HA . 53392 1 1487 . 1 . 1 167 167 GLU HB2 H 1 1.923 0.000 . . . . . . . 167 GLU HB2 . 53392 1 1488 . 1 . 1 167 167 GLU HB3 H 1 1.556 0.000 . . . . . . . 167 GLU HB3 . 53392 1 1489 . 1 . 1 167 167 GLU HG2 H 1 2.150 0.000 . . . . . . . 167 GLU HG2 . 53392 1 1490 . 1 . 1 167 167 GLU HG3 H 1 2.197 0.000 . . . . . . . 167 GLU HG3 . 53392 1 1491 . 1 . 1 167 167 GLU C C 13 174.863 0.000 . . . . . . . 167 GLU C . 53392 1 1492 . 1 . 1 167 167 GLU CA C 13 55.517 0.000 . . . . . . . 167 GLU CA . 53392 1 1493 . 1 . 1 167 167 GLU CB C 13 26.886 0.000 . . . . . . . 167 GLU CB . 53392 1 1494 . 1 . 1 167 167 GLU CG C 13 36.300 0.000 . . . . . . . 167 GLU CG . 53392 1 1495 . 1 . 1 167 167 GLU N N 15 115.473 0.000 . . . . . . . 167 GLU N . 53392 1 1496 . 1 . 1 168 168 VAL H H 1 7.880 0.000 . . . . . . . 168 VAL H . 53392 1 1497 . 1 . 1 168 168 VAL HA H 1 4.043 0.000 . . . . . . . 168 VAL HA . 53392 1 1498 . 1 . 1 168 168 VAL HB H 1 2.126 0.000 . . . . . . . 168 VAL HB . 53392 1 1499 . 1 . 1 168 168 VAL HG11 H 1 0.852 0.000 . . . . . . . 168 VAL HG1 . 53392 1 1500 . 1 . 1 168 168 VAL HG12 H 1 0.852 0.000 . . . . . . . 168 VAL HG1 . 53392 1 1501 . 1 . 1 168 168 VAL HG13 H 1 0.852 0.000 . . . . . . . 168 VAL HG1 . 53392 1 1502 . 1 . 1 168 168 VAL HG21 H 1 0.813 0.000 . . . . . . . 168 VAL HG2 . 53392 1 1503 . 1 . 1 168 168 VAL HG22 H 1 0.813 0.000 . . . . . . . 168 VAL HG2 . 53392 1 1504 . 1 . 1 168 168 VAL HG23 H 1 0.813 0.000 . . . . . . . 168 VAL HG2 . 53392 1 1505 . 1 . 1 168 168 VAL C C 13 173.056 0.000 . . . . . . . 168 VAL C . 53392 1 1506 . 1 . 1 168 168 VAL CA C 13 59.808 0.000 . . . . . . . 168 VAL CA . 53392 1 1507 . 1 . 1 168 168 VAL CB C 13 28.379 0.000 . . . . . . . 168 VAL CB . 53392 1 1508 . 1 . 1 168 168 VAL CG1 C 13 21.100 0.000 . . . . . . . 168 VAL CG1 . 53392 1 1509 . 1 . 1 168 168 VAL CG2 C 13 26.618 0.000 . . . . . . . 168 VAL CG2 . 53392 1 1510 . 1 . 1 168 168 VAL N N 15 115.663 0.000 . . . . . . . 168 VAL N . 53392 1 1511 . 1 . 1 169 169 SER H H 1 7.807 0.000 . . . . . . . 169 SER H . 53392 1 1512 . 1 . 1 169 169 SER C C 13 172.305 0.000 . . . . . . . 169 SER C . 53392 1 1513 . 1 . 1 169 169 SER CA C 13 55.127 0.000 . . . . . . . 169 SER CA . 53392 1 1514 . 1 . 1 169 169 SER CB C 13 62.124 0.000 . . . . . . . 169 SER CB . 53392 1 1515 . 1 . 1 169 169 SER N N 15 116.162 0.000 . . . . . . . 169 SER N . 53392 1 1516 . 1 . 1 170 170 ALA H H 1 7.872 0.000 . . . . . . . 170 ALA H . 53392 1 1517 . 1 . 1 170 170 ALA HA H 1 3.581 0.000 . . . . . . . 170 ALA HA . 53392 1 1518 . 1 . 1 170 170 ALA HB1 H 1 1.190 0.000 . . . . . . . 170 ALA HB . 53392 1 1519 . 1 . 1 170 170 ALA HB2 H 1 1.190 0.000 . . . . . . . 170 ALA HB . 53392 1 1520 . 1 . 1 170 170 ALA HB3 H 1 1.190 0.000 . . . . . . . 170 ALA HB . 53392 1 1521 . 1 . 1 170 170 ALA C C 13 174.429 0.000 . . . . . . . 170 ALA C . 53392 1 1522 . 1 . 1 170 170 ALA CA C 13 52.631 0.000 . . . . . . . 170 ALA CA . 53392 1 1523 . 1 . 1 170 170 ALA CB C 13 15.623 0.000 . . . . . . . 170 ALA CB . 53392 1 1524 . 1 . 1 170 170 ALA N N 15 125.699 0.000 . . . . . . . 170 ALA N . 53392 1 1525 . 1 . 1 171 171 ASN H H 1 7.841 0.000 . . . . . . . 171 ASN H . 53392 1 1526 . 1 . 1 171 171 ASN HA H 1 3.808 0.000 . . . . . . . 171 ASN HA . 53392 1 1527 . 1 . 1 171 171 ASN HB3 H 1 2.400 0.000 . . . . . . . 171 ASN HB3 . 53392 1 1528 . 1 . 1 171 171 ASN C C 13 170.202 0.000 . . . . . . . 171 ASN C . 53392 1 1529 . 1 . 1 171 171 ASN CA C 13 51.746 0.000 . . . . . . . 171 ASN CA . 53392 1 1530 . 1 . 1 171 171 ASN CB C 13 33.403 0.000 . . . . . . . 171 ASN CB . 53392 1 1531 . 1 . 1 171 171 ASN N N 15 110.313 0.000 . . . . . . . 171 ASN N . 53392 1 1532 . 1 . 1 172 172 GLN H H 1 7.525 0.000 . . . . . . . 172 GLN H . 53392 1 1533 . 1 . 1 172 172 GLN HA H 1 3.667 0.000 . . . . . . . 172 GLN HA . 53392 1 1534 . 1 . 1 172 172 GLN HB2 H 1 2.205 0.000 . . . . . . . 172 GLN HB2 . 53392 1 1535 . 1 . 1 172 172 GLN HB3 H 1 2.142 0.000 . . . . . . . 172 GLN HB3 . 53392 1 1536 . 1 . 1 172 172 GLN C C 13 171.451 0.000 . . . . . . . 172 GLN C . 53392 1 1537 . 1 . 1 172 172 GLN CA C 13 50.941 0.000 . . . . . . . 172 GLN CA . 53392 1 1538 . 1 . 1 172 172 GLN CB C 13 26.967 0.000 . . . . . . . 172 GLN CB . 53392 1 1539 . 1 . 1 172 172 GLN CG C 13 34.000 0.000 . . . . . . . 172 GLN CG . 53392 1 1540 . 1 . 1 172 172 GLN N N 15 115.137 0.000 . . . . . . . 172 GLN N . 53392 1 1541 . 1 . 1 173 173 ARG H H 1 6.833 0.000 . . . . . . . 173 ARG H . 53392 1 1542 . 1 . 1 173 173 ARG HA H 1 4.403 0.000 . . . . . . . 173 ARG HA . 53392 1 1543 . 1 . 1 173 173 ARG HG2 H 1 1.049 0.000 . . . . . . . 173 ARG HG2 . 53392 1 1544 . 1 . 1 173 173 ARG HG3 H 1 1.413 0.000 . . . . . . . 173 ARG HG3 . 53392 1 1545 . 1 . 1 173 173 ARG HD2 H 1 2.671 0.000 . . . . . . . 173 ARG HD2 . 53392 1 1546 . 1 . 1 173 173 ARG HD3 H 1 2.671 0.000 . . . . . . . 173 ARG HD3 . 53392 1 1547 . 1 . 1 173 173 ARG C C 13 174.064 0.000 . . . . . . . 173 ARG C . 53392 1 1548 . 1 . 1 173 173 ARG CA C 13 51.826 0.000 . . . . . . . 173 ARG CA . 53392 1 1549 . 1 . 1 173 173 ARG CB C 13 29.783 0.000 . . . . . . . 173 ARG CB . 53392 1 1550 . 1 . 1 173 173 ARG CG C 13 28.126 0.000 . . . . . . . 173 ARG CG . 53392 1 1551 . 1 . 1 173 173 ARG CD C 13 39.686 0.000 . . . . . . . 173 ARG CD . 53392 1 1552 . 1 . 1 173 173 ARG N N 15 116.022 0.000 . . . . . . . 173 ARG N . 53392 1 1553 . 1 . 1 174 174 TRP H H 1 9.541 0.000 . . . . . . . 174 TRP H . 53392 1 1554 . 1 . 1 174 174 TRP HA H 1 5.302 0.000 . . . . . . . 174 TRP HA . 53392 1 1555 . 1 . 1 174 174 TRP HB2 H 1 2.862 0.000 . . . . . . . 174 TRP HB2 . 53392 1 1556 . 1 . 1 174 174 TRP HB3 H 1 2.572 0.000 . . . . . . . 174 TRP HB3 . 53392 1 1557 . 1 . 1 174 174 TRP C C 13 172.562 0.000 . . . . . . . 174 TRP C . 53392 1 1558 . 1 . 1 174 174 TRP CA C 13 53.677 0.000 . . . . . . . 174 TRP CA . 53392 1 1559 . 1 . 1 174 174 TRP CB C 13 30.265 0.000 . . . . . . . 174 TRP CB . 53392 1 1560 . 1 . 1 174 174 TRP N N 15 125.786 0.000 . . . . . . . 174 TRP N . 53392 1 1561 . 1 . 1 175 175 GLU H H 1 9.638 0.000 . . . . . . . 175 GLU H . 53392 1 1562 . 1 . 1 175 175 GLU HA H 1 3.732 0.000 . . . . . . . 175 GLU HA . 53392 1 1563 . 1 . 1 175 175 GLU HB2 H 1 1.782 0.000 . . . . . . . 175 GLU HB2 . 53392 1 1564 . 1 . 1 175 175 GLU HB3 H 1 1.735 0.000 . . . . . . . 175 GLU HB3 . 53392 1 1565 . 1 . 1 175 175 GLU HG2 H 1 2.040 0.000 . . . . . . . 175 GLU HG2 . 53392 1 1566 . 1 . 1 175 175 GLU HG3 H 1 1.970 0.000 . . . . . . . 175 GLU HG3 . 53392 1 1567 . 1 . 1 175 175 GLU C C 13 171.252 0.000 . . . . . . . 175 GLU C . 53392 1 1568 . 1 . 1 175 175 GLU CA C 13 52.092 0.000 . . . . . . . 175 GLU CA . 53392 1 1569 . 1 . 1 175 175 GLU CB C 13 31.731 0.000 . . . . . . . 175 GLU CB . 53392 1 1570 . 1 . 1 175 175 GLU CG C 13 35.900 0.000 . . . . . . . 175 GLU CG . 53392 1 1571 . 1 . 1 175 175 GLU N N 15 121.578 0.000 . . . . . . . 175 GLU N . 53392 1 1572 . 1 . 1 176 176 LEU H H 1 8.787 0.000 . . . . . . . 176 LEU H . 53392 1 1573 . 1 . 1 176 176 LEU HA H 1 5.130 0.000 . . . . . . . 176 LEU HA . 53392 1 1574 . 1 . 1 176 176 LEU HB2 H 1 1.469 0.000 . . . . . . . 176 LEU HB2 . 53392 1 1575 . 1 . 1 176 176 LEU HB3 H 1 1.469 0.000 . . . . . . . 176 LEU HB3 . 53392 1 1576 . 1 . 1 176 176 LEU HG H 1 1.282 0.000 . . . . . . . 176 LEU HG . 53392 1 1577 . 1 . 1 176 176 LEU HD11 H 1 0.163 0.000 . . . . . . . 176 LEU HD1 . 53392 1 1578 . 1 . 1 176 176 LEU HD12 H 1 0.163 0.000 . . . . . . . 176 LEU HD1 . 53392 1 1579 . 1 . 1 176 176 LEU HD13 H 1 0.163 0.000 . . . . . . . 176 LEU HD1 . 53392 1 1580 . 1 . 1 176 176 LEU HD21 H 1 0.617 0.000 . . . . . . . 176 LEU HD2 . 53392 1 1581 . 1 . 1 176 176 LEU HD22 H 1 0.617 0.000 . . . . . . . 176 LEU HD2 . 53392 1 1582 . 1 . 1 176 176 LEU HD23 H 1 0.617 0.000 . . . . . . . 176 LEU HD2 . 53392 1 1583 . 1 . 1 176 176 LEU C C 13 174.193 0.000 . . . . . . . 176 LEU C . 53392 1 1584 . 1 . 1 176 176 LEU CA C 13 50.870 0.000 . . . . . . . 176 LEU CA . 53392 1 1585 . 1 . 1 176 176 LEU CB C 13 37.184 0.000 . . . . . . . 176 LEU CB . 53392 1 1586 . 1 . 1 176 176 LEU CG C 13 27.000 0.000 . . . . . . . 176 LEU CG . 53392 1 1587 . 1 . 1 176 176 LEU CD1 C 13 19.421 0.000 . . . . . . . 176 LEU CD1 . 53392 1 1588 . 1 . 1 176 176 LEU CD2 C 13 22.196 0.000 . . . . . . . 176 LEU CD2 . 53392 1 1589 . 1 . 1 176 176 LEU N N 15 124.688 0.000 . . . . . . . 176 LEU N . 53392 1 1590 . 1 . 1 177 177 VAL H H 1 9.209 0.000 . . . . . . . 177 VAL H . 53392 1 1591 . 1 . 1 177 177 VAL CA C 13 56.185 0.000 . . . . . . . 177 VAL CA . 53392 1 1592 . 1 . 1 177 177 VAL CB C 13 32.100 0.000 . . . . . . . 177 VAL CB . 53392 1 1593 . 1 . 1 177 177 VAL N N 15 126.795 0.000 . . . . . . . 177 VAL N . 53392 1 1594 . 1 . 1 178 178 PRO HA H 1 4.483 0.000 . . . . . . . 178 PRO HA . 53392 1 1595 . 1 . 1 178 178 PRO HB2 H 1 1.860 0.000 . . . . . . . 178 PRO HB2 . 53392 1 1596 . 1 . 1 178 178 PRO HB3 H 1 1.860 0.000 . . . . . . . 178 PRO HB3 . 53392 1 1597 . 1 . 1 178 178 PRO HG2 H 1 2.091 0.000 . . . . . . . 178 PRO HG2 . 53392 1 1598 . 1 . 1 178 178 PRO HG3 H 1 2.091 0.000 . . . . . . . 178 PRO HG3 . 53392 1 1599 . 1 . 1 178 178 PRO HD2 H 1 3.922 0.000 . . . . . . . 178 PRO HD2 . 53392 1 1600 . 1 . 1 178 178 PRO HD3 H 1 3.922 0.000 . . . . . . . 178 PRO HD3 . 53392 1 1601 . 1 . 1 178 178 PRO C C 13 173.571 0.000 . . . . . . . 178 PRO C . 53392 1 1602 . 1 . 1 178 178 PRO CA C 13 60.274 0.000 . . . . . . . 178 PRO CA . 53392 1 1603 . 1 . 1 178 178 PRO CB C 13 29.380 0.000 . . . . . . . 178 PRO CB . 53392 1 1604 . 1 . 1 178 178 PRO CG C 13 27.541 0.000 . . . . . . . 178 PRO CG . 53392 1 1605 . 1 . 1 178 178 PRO CD C 13 47.922 0.000 . . . . . . . 178 PRO CD . 53392 1 1606 . 1 . 1 179 179 PHE H H 1 8.513 0.000 . . . . . . . 179 PHE H . 53392 1 1607 . 1 . 1 179 179 PHE HA H 1 4.739 0.000 . . . . . . . 179 PHE HA . 53392 1 1608 . 1 . 1 179 179 PHE HB2 H 1 2.635 0.000 . . . . . . . 179 PHE HB2 . 53392 1 1609 . 1 . 1 179 179 PHE HB3 H 1 2.588 0.000 . . . . . . . 179 PHE HB3 . 53392 1 1610 . 1 . 1 179 179 PHE C C 13 173.060 0.000 . . . . . . . 179 PHE C . 53392 1 1611 . 1 . 1 179 179 PHE CA C 13 54.562 0.000 . . . . . . . 179 PHE CA . 53392 1 1612 . 1 . 1 179 179 PHE CB C 13 37.747 0.000 . . . . . . . 179 PHE CB . 53392 1 1613 . 1 . 1 179 179 PHE N N 15 123.884 0.000 . . . . . . . 179 PHE N . 53392 1 1614 . 1 . 1 180 180 GLU H H 1 8.687 0.000 . . . . . . . 180 GLU H . 53392 1 1615 . 1 . 1 180 180 GLU HA H 1 4.160 0.000 . . . . . . . 180 GLU HA . 53392 1 1616 . 1 . 1 180 180 GLU HB2 H 1 2.025 0.000 . . . . . . . 180 GLU HB2 . 53392 1 1617 . 1 . 1 180 180 GLU HB3 H 1 1.673 0.000 . . . . . . . 180 GLU HB3 . 53392 1 1618 . 1 . 1 180 180 GLU HG2 H 1 2.603 0.000 . . . . . . . 180 GLU HG2 . 53392 1 1619 . 1 . 1 180 180 GLU HG3 H 1 2.322 0.000 . . . . . . . 180 GLU HG3 . 53392 1 1620 . 1 . 1 180 180 GLU C C 13 172.069 0.000 . . . . . . . 180 GLU C . 53392 1 1621 . 1 . 1 180 180 GLU CA C 13 52.931 0.000 . . . . . . . 180 GLU CA . 53392 1 1622 . 1 . 1 180 180 GLU CB C 13 27.450 0.000 . . . . . . . 180 GLU CB . 53392 1 1623 . 1 . 1 180 180 GLU CG C 13 36.300 0.000 . . . . . . . 180 GLU CG . 53392 1 1624 . 1 . 1 180 180 GLU N N 15 127.344 0.000 . . . . . . . 180 GLU N . 53392 1 1625 . 1 . 1 181 181 GLY H H 1 6.295 0.000 . . . . . . . 181 GLY H . 53392 1 1626 . 1 . 1 181 181 GLY CA C 13 43.300 0.000 . . . . . . . 181 GLY CA . 53392 1 1627 . 1 . 1 181 181 GLY N N 15 114.104 0.000 . . . . . . . 181 GLY N . 53392 1 stop_ save_