data_51340 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51340 _Entry.Title ; Backbone and side chain solution NMR assignment of truncated form of small hepatitis D virus antigen Delta60-S-HDAg ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-28 _Entry.Accession_date 2022-02-28 _Entry.Last_release_date 2022-02-28 _Entry.Original_release_date 2022-02-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H 13C 15N Backbone and side chain solution NMR assignment of truncated form of small hepatitis D virus antigen Delta60-S-HDAg (residues 61-195) at pH 6.5. ; _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 Yang Yang . . . . 51340 2 Anja Bockmann . . . . 51340 3 Lauriane Lecoq . . . . 51340 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular Microbiology and Structural Biochemistry (MMSB) / CNRS, Lyon' . 51340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 51340 '15N chemical shifts' 136 51340 '1H chemical shifts' 811 51340 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-10-21 2022-02-28 update BMRB 'update entry citation' 51340 1 . . 2022-06-20 2022-02-28 original author 'original release' 51340 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51340 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35749039 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone and side chain solution NMR assignments of the truncated small hepatitis delta antigen Delta60-S-HDAg ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 311 _Citation.Page_last 316 _Citation.Year 2022 _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 Yang Yang . . . . 51340 1 2 Loic Delcourte . . . . 51340 1 3 Marie-Laure Fogeron . . . . 51340 1 4 Anja Bockmann . . . . 51340 1 5 Lauriane Lecoq . . . . 51340 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hepatitis delta virus; delta60-S-HDAg; NMR resonance assignment; SHDAg' 51340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51340 _Assembly.ID 1 _Assembly.Name delta60_SHDAg _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 15120 _Assembly.Enzyme_commission_number . _Assembly.Details Monomer _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 delta60_SHDAg 1 $entity_1 . . yes native no no . . . 51340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51340 _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 ; GPLGSKDKDGEGAPPAKRAR TDQMEVDSGPGKRPLRGGFT DKERQDHRRRKALENKKKQL SAGGKNLSKEEEEELRRLTE EDERRERRVAGPPVGGVNPL EGGSRGAPGGGFVPNLQGVP ESPFSRTGEGLDIRGNQGFP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Start at Gly 56' _Entity.Polymer_author_seq_details 'The first 5 residues (GPLGS) are from GST-cleavage' _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 61-195 from SHDAg, called delta60' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15120 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI AJ000558.1 . 'Hepatitis delta virus (HDV) complete genome' . . . . . . . . . . . . . . 51340 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding' 51340 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 56 GLY . 51340 1 2 57 PRO . 51340 1 3 58 LEU . 51340 1 4 59 GLY . 51340 1 5 60 SER . 51340 1 6 61 LYS . 51340 1 7 62 ASP . 51340 1 8 63 LYS . 51340 1 9 64 ASP . 51340 1 10 65 GLY . 51340 1 11 66 GLU . 51340 1 12 67 GLY . 51340 1 13 68 ALA . 51340 1 14 69 PRO . 51340 1 15 70 PRO . 51340 1 16 71 ALA . 51340 1 17 72 LYS . 51340 1 18 73 ARG . 51340 1 19 74 ALA . 51340 1 20 75 ARG . 51340 1 21 76 THR . 51340 1 22 77 ASP . 51340 1 23 78 GLN . 51340 1 24 79 MET . 51340 1 25 80 GLU . 51340 1 26 81 VAL . 51340 1 27 82 ASP . 51340 1 28 83 SER . 51340 1 29 84 GLY . 51340 1 30 85 PRO . 51340 1 31 86 GLY . 51340 1 32 87 LYS . 51340 1 33 88 ARG . 51340 1 34 89 PRO . 51340 1 35 90 LEU . 51340 1 36 91 ARG . 51340 1 37 92 GLY . 51340 1 38 93 GLY . 51340 1 39 94 PHE . 51340 1 40 95 THR . 51340 1 41 96 ASP . 51340 1 42 97 LYS . 51340 1 43 98 GLU . 51340 1 44 99 ARG . 51340 1 45 100 GLN . 51340 1 46 101 ASP . 51340 1 47 102 HIS . 51340 1 48 103 ARG . 51340 1 49 104 ARG . 51340 1 50 105 ARG . 51340 1 51 106 LYS . 51340 1 52 107 ALA . 51340 1 53 108 LEU . 51340 1 54 109 GLU . 51340 1 55 110 ASN . 51340 1 56 111 LYS . 51340 1 57 112 LYS . 51340 1 58 113 LYS . 51340 1 59 114 GLN . 51340 1 60 115 LEU . 51340 1 61 116 SER . 51340 1 62 117 ALA . 51340 1 63 118 GLY . 51340 1 64 119 GLY . 51340 1 65 120 LYS . 51340 1 66 121 ASN . 51340 1 67 122 LEU . 51340 1 68 123 SER . 51340 1 69 124 LYS . 51340 1 70 125 GLU . 51340 1 71 126 GLU . 51340 1 72 127 GLU . 51340 1 73 128 GLU . 51340 1 74 129 GLU . 51340 1 75 130 LEU . 51340 1 76 131 ARG . 51340 1 77 132 ARG . 51340 1 78 133 LEU . 51340 1 79 134 THR . 51340 1 80 135 GLU . 51340 1 81 136 GLU . 51340 1 82 137 ASP . 51340 1 83 138 GLU . 51340 1 84 139 ARG . 51340 1 85 140 ARG . 51340 1 86 141 GLU . 51340 1 87 142 ARG . 51340 1 88 143 ARG . 51340 1 89 144 VAL . 51340 1 90 145 ALA . 51340 1 91 146 GLY . 51340 1 92 147 PRO . 51340 1 93 148 PRO . 51340 1 94 149 VAL . 51340 1 95 150 GLY . 51340 1 96 151 GLY . 51340 1 97 152 VAL . 51340 1 98 153 ASN . 51340 1 99 154 PRO . 51340 1 100 155 LEU . 51340 1 101 156 GLU . 51340 1 102 157 GLY . 51340 1 103 158 GLY . 51340 1 104 159 SER . 51340 1 105 160 ARG . 51340 1 106 161 GLY . 51340 1 107 162 ALA . 51340 1 108 163 PRO . 51340 1 109 164 GLY . 51340 1 110 165 GLY . 51340 1 111 166 GLY . 51340 1 112 167 PHE . 51340 1 113 168 VAL . 51340 1 114 169 PRO . 51340 1 115 170 ASN . 51340 1 116 171 LEU . 51340 1 117 172 GLN . 51340 1 118 173 GLY . 51340 1 119 174 VAL . 51340 1 120 175 PRO . 51340 1 121 176 GLU . 51340 1 122 177 SER . 51340 1 123 178 PRO . 51340 1 124 179 PHE . 51340 1 125 180 SER . 51340 1 126 181 ARG . 51340 1 127 182 THR . 51340 1 128 183 GLY . 51340 1 129 184 GLU . 51340 1 130 185 GLY . 51340 1 131 186 LEU . 51340 1 132 187 ASP . 51340 1 133 188 ILE . 51340 1 134 189 ARG . 51340 1 135 190 GLY . 51340 1 136 191 ASN . 51340 1 137 192 GLN . 51340 1 138 193 GLY . 51340 1 139 194 PHE . 51340 1 140 195 PRO . 51340 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 . GLY 1 1 51340 1 . PRO 2 2 51340 1 . LEU 3 3 51340 1 . GLY 4 4 51340 1 . SER 5 5 51340 1 . LYS 6 6 51340 1 . ASP 7 7 51340 1 . LYS 8 8 51340 1 . ASP 9 9 51340 1 . GLY 10 10 51340 1 . GLU 11 11 51340 1 . GLY 12 12 51340 1 . ALA 13 13 51340 1 . PRO 14 14 51340 1 . PRO 15 15 51340 1 . ALA 16 16 51340 1 . LYS 17 17 51340 1 . ARG 18 18 51340 1 . ALA 19 19 51340 1 . ARG 20 20 51340 1 . THR 21 21 51340 1 . ASP 22 22 51340 1 . GLN 23 23 51340 1 . MET 24 24 51340 1 . GLU 25 25 51340 1 . VAL 26 26 51340 1 . ASP 27 27 51340 1 . SER 28 28 51340 1 . GLY 29 29 51340 1 . PRO 30 30 51340 1 . GLY 31 31 51340 1 . LYS 32 32 51340 1 . ARG 33 33 51340 1 . PRO 34 34 51340 1 . LEU 35 35 51340 1 . ARG 36 36 51340 1 . GLY 37 37 51340 1 . GLY 38 38 51340 1 . PHE 39 39 51340 1 . THR 40 40 51340 1 . ASP 41 41 51340 1 . LYS 42 42 51340 1 . GLU 43 43 51340 1 . ARG 44 44 51340 1 . GLN 45 45 51340 1 . ASP 46 46 51340 1 . HIS 47 47 51340 1 . ARG 48 48 51340 1 . ARG 49 49 51340 1 . ARG 50 50 51340 1 . LYS 51 51 51340 1 . ALA 52 52 51340 1 . LEU 53 53 51340 1 . GLU 54 54 51340 1 . ASN 55 55 51340 1 . LYS 56 56 51340 1 . LYS 57 57 51340 1 . LYS 58 58 51340 1 . GLN 59 59 51340 1 . LEU 60 60 51340 1 . SER 61 61 51340 1 . ALA 62 62 51340 1 . GLY 63 63 51340 1 . GLY 64 64 51340 1 . LYS 65 65 51340 1 . ASN 66 66 51340 1 . LEU 67 67 51340 1 . SER 68 68 51340 1 . LYS 69 69 51340 1 . GLU 70 70 51340 1 . GLU 71 71 51340 1 . GLU 72 72 51340 1 . GLU 73 73 51340 1 . GLU 74 74 51340 1 . LEU 75 75 51340 1 . ARG 76 76 51340 1 . ARG 77 77 51340 1 . LEU 78 78 51340 1 . THR 79 79 51340 1 . GLU 80 80 51340 1 . GLU 81 81 51340 1 . ASP 82 82 51340 1 . GLU 83 83 51340 1 . ARG 84 84 51340 1 . ARG 85 85 51340 1 . GLU 86 86 51340 1 . ARG 87 87 51340 1 . ARG 88 88 51340 1 . VAL 89 89 51340 1 . ALA 90 90 51340 1 . GLY 91 91 51340 1 . PRO 92 92 51340 1 . PRO 93 93 51340 1 . VAL 94 94 51340 1 . GLY 95 95 51340 1 . GLY 96 96 51340 1 . VAL 97 97 51340 1 . ASN 98 98 51340 1 . PRO 99 99 51340 1 . LEU 100 100 51340 1 . GLU 101 101 51340 1 . GLY 102 102 51340 1 . GLY 103 103 51340 1 . SER 104 104 51340 1 . ARG 105 105 51340 1 . GLY 106 106 51340 1 . ALA 107 107 51340 1 . PRO 108 108 51340 1 . GLY 109 109 51340 1 . GLY 110 110 51340 1 . GLY 111 111 51340 1 . PHE 112 112 51340 1 . VAL 113 113 51340 1 . PRO 114 114 51340 1 . ASN 115 115 51340 1 . LEU 116 116 51340 1 . GLN 117 117 51340 1 . GLY 118 118 51340 1 . VAL 119 119 51340 1 . PRO 120 120 51340 1 . GLU 121 121 51340 1 . SER 122 122 51340 1 . PRO 123 123 51340 1 . PHE 124 124 51340 1 . SER 125 125 51340 1 . ARG 126 126 51340 1 . THR 127 127 51340 1 . GLY 128 128 51340 1 . GLU 129 129 51340 1 . GLY 130 130 51340 1 . LEU 131 131 51340 1 . ASP 132 132 51340 1 . ILE 133 133 51340 1 . ARG 134 134 51340 1 . GLY 135 135 51340 1 . ASN 136 136 51340 1 . GLN 137 137 51340 1 . GLY 138 138 51340 1 . PHE 139 139 51340 1 . PRO 140 140 51340 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 51340 _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 . 12475 organism . 'Hepatitis D virus' 'Hepatitis delta virus' . . Viruses . Deltavirus 'Hepatitis D virus' 'AJ000558.1 (isolate from Central Africa)' 'genotype I' . . . . . . . . . 'Small delta antigen' 'NCBI AJ000558.1' 51340 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 51340 _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 BL21*CP . . plasmid . . pGEX-6P-1-GST . . . 51340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51340 _Sample.ID 1 _Sample.Name sampleH2O _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM phosphate buffer pH 6.5, 50 mM NaCl, protease inhibitor 1X' _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 delta60_SHDAg '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51340 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51340 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51340 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51340 _Sample.ID 2 _Sample.Name sampleD2O _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM phosphate buffer pH 6.5, 50 mM NaCl, protease inhibitor 1X' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 delta60_SHDAg '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51340 2 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51340 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51340 2 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 51340 _Sample_condition_list.ID 1 _Sample_condition_list.Name Conditions1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51340 1 pH 6.5 . pH 51340 1 pressure 1 . atm 51340 1 temperature 298 . K 51340 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51340 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51340 1 processing . 51340 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51340 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51340 2 'data analysis' . 51340 2 'peak picking' . 51340 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51340 _Software.ID 3 _Software.Type . _Software.Name ARIA2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 51340 3 'structure solution' . 51340 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51340 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600_cryo _NMR_spectrometer.Details CRMN _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51340 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 950_cryo _NMR_spectrometer.Details 'IBS Grenoble' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 51340 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 4 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 5 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 6 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 7 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 8 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 9 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 10 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51340 1 11 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51340 1 12 '3D 1H-13C NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51340 1 13 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51340 1 14 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51340 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51340 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51340 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51340 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51340 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 51340 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name delta60_SHDAg_chemical_shifts _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' . . . 51340 1 2 '2D 1H-13C HSQC' . . . 51340 1 3 '3D HNCO' . . . 51340 1 4 '3D HNCACO' . . . 51340 1 7 '3D HCCH-TOCSY' . . . 51340 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 2 $software_2 . . 51340 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 1 1 GLY HA2 H 1 3.842 0.000 . 2 . . . . . 56 GLY HA2 . 51340 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.083 0.000 . 2 . . . . . 56 GLY HA3 . 51340 1 3 . 1 . 1 1 1 GLY CA C 13 44.663 0.001 . 1 . . . . . 56 GLY CA . 51340 1 4 . 1 . 1 2 2 PRO HA H 1 4.480 0.000 . 1 . . . . . 57 PRO HA . 51340 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.321 0.000 . 2 . . . . . 57 PRO HB2 . 51340 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.950 0.000 . 2 . . . . . 57 PRO HB3 . 51340 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.022 0.000 . 2 . . . . . 57 PRO HG2 . 51340 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.018 0.000 . 2 . . . . . 57 PRO HG3 . 51340 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.582 0.000 . 1 . . . . . 57 PRO HD2 . 51340 1 10 . 1 . 1 2 2 PRO C C 13 177.108 0.000 . 1 . . . . . 57 PRO C . 51340 1 11 . 1 . 1 2 2 PRO CA C 13 63.239 0.000 . 1 . . . . . 57 PRO CA . 51340 1 12 . 1 . 1 2 2 PRO CB C 13 32.199 0.001 . 1 . . . . . 57 PRO CB . 51340 1 13 . 1 . 1 2 2 PRO CG C 13 27.208 0.000 . 1 . . . . . 57 PRO CG . 51340 1 14 . 1 . 1 2 2 PRO CD C 13 49.785 0.000 . 1 . . . . . 57 PRO CD . 51340 1 15 . 1 . 1 3 3 LEU H H 1 8.581 0.000 . 1 . . . . . 58 LEU H . 51340 1 16 . 1 . 1 3 3 LEU HA H 1 4.302 0.000 . 1 . . . . . 58 LEU HA . 51340 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.694 0.000 . 2 . . . . . 58 LEU HB2 . 51340 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.613 0.000 . 2 . . . . . 58 LEU HB3 . 51340 1 19 . 1 . 1 3 3 LEU HG H 1 1.658 0.000 . 1 . . . . . 58 LEU HG . 51340 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.917 0.000 . 2 . . . . . 58 LEU HD11 . 51340 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.917 0.000 . 2 . . . . . 58 LEU HD12 . 51340 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.917 0.000 . 2 . . . . . 58 LEU HD13 . 51340 1 23 . 1 . 1 3 3 LEU HD21 H 1 0.857 0.000 . 2 . . . . . 58 LEU HD21 . 51340 1 24 . 1 . 1 3 3 LEU HD22 H 1 0.857 0.000 . 2 . . . . . 58 LEU HD22 . 51340 1 25 . 1 . 1 3 3 LEU HD23 H 1 0.857 0.000 . 2 . . . . . 58 LEU HD23 . 51340 1 26 . 1 . 1 3 3 LEU C C 13 178.015 0.000 . 1 . . . . . 58 LEU C . 51340 1 27 . 1 . 1 3 3 LEU CA C 13 55.406 0.000 . 1 . . . . . 58 LEU CA . 51340 1 28 . 1 . 1 3 3 LEU CB C 13 42.245 0.002 . 1 . . . . . 58 LEU CB . 51340 1 29 . 1 . 1 3 3 LEU CG C 13 26.861 0.000 . 1 . . . . . 58 LEU CG . 51340 1 30 . 1 . 1 3 3 LEU CD1 C 13 24.874 0.000 . 2 . . . . . 58 LEU CD1 . 51340 1 31 . 1 . 1 3 3 LEU CD2 C 13 23.487 0.000 . 2 . . . . . 58 LEU CD2 . 51340 1 32 . 1 . 1 3 3 LEU N N 15 122.430 0.001 . 1 . . . . . 58 LEU N . 51340 1 33 . 1 . 1 4 4 GLY H H 1 8.466 0.000 . 1 . . . . . 59 GLY H . 51340 1 34 . 1 . 1 4 4 GLY HA2 H 1 3.988 0.000 . 1 . . . . . 59 GLY HA2 . 51340 1 35 . 1 . 1 4 4 GLY HA3 H 1 3.988 0.000 . 1 . . . . . 59 GLY HA3 . 51340 1 36 . 1 . 1 4 4 GLY C C 13 174.312 0.000 . 1 . . . . . 59 GLY C . 51340 1 37 . 1 . 1 4 4 GLY CA C 13 45.333 0.000 . 1 . . . . . 59 GLY CA . 51340 1 38 . 1 . 1 4 4 GLY N N 15 110.121 0.000 . 1 . . . . . 59 GLY N . 51340 1 39 . 1 . 1 5 5 SER H H 1 8.207 0.000 . 1 . . . . . 60 SER H . 51340 1 40 . 1 . 1 5 5 SER HA H 1 4.448 0.000 . 1 . . . . . 60 SER HA . 51340 1 41 . 1 . 1 5 5 SER HB2 H 1 3.879 0.000 . 1 . . . . . 60 SER HB2 . 51340 1 42 . 1 . 1 5 5 SER HB3 H 1 3.879 0.000 . 1 . . . . . 60 SER HB3 . 51340 1 43 . 1 . 1 5 5 SER C C 13 174.858 0.000 . 1 . . . . . 60 SER C . 51340 1 44 . 1 . 1 5 5 SER CA C 13 58.527 0.000 . 1 . . . . . 60 SER CA . 51340 1 45 . 1 . 1 5 5 SER CB C 13 64.063 0.000 . 1 . . . . . 60 SER CB . 51340 1 46 . 1 . 1 5 5 SER N N 15 115.828 0.001 . 1 . . . . . 60 SER N . 51340 1 47 . 1 . 1 6 6 LYS H H 1 8.460 0.000 . 1 . . . . . 61 LYS H . 51340 1 48 . 1 . 1 6 6 LYS HA H 1 4.349 0.000 . 1 . . . . . 61 LYS HA . 51340 1 49 . 1 . 1 6 6 LYS HB2 H 1 1.861 0.000 . 2 . . . . . 61 LYS HB2 . 51340 1 50 . 1 . 1 6 6 LYS HB3 H 1 1.773 0.000 . 2 . . . . . 61 LYS HB3 . 51340 1 51 . 1 . 1 6 6 LYS HG2 H 1 1.419 0.000 . 2 . . . . . 61 LYS HG2 . 51340 1 52 . 1 . 1 6 6 LYS HG3 H 1 1.434 0.000 . 2 . . . . . 61 LYS HG3 . 51340 1 53 . 1 . 1 6 6 LYS HD2 H 1 1.732 0.000 . 1 . . . . . 61 LYS HD2 . 51340 1 54 . 1 . 1 6 6 LYS HD3 H 1 1.732 0.000 . 1 . . . . . 61 LYS HD3 . 51340 1 55 . 1 . 1 6 6 LYS HE2 H 1 2.995 0.000 . 1 . . . . . 61 LYS HE2 . 51340 1 56 . 1 . 1 6 6 LYS HE3 H 1 2.995 0.000 . 1 . . . . . 61 LYS HE3 . 51340 1 57 . 1 . 1 6 6 LYS C C 13 176.407 0.000 . 1 . . . . . 61 LYS C . 51340 1 58 . 1 . 1 6 6 LYS CA C 13 56.514 0.000 . 1 . . . . . 61 LYS CA . 51340 1 59 . 1 . 1 6 6 LYS CB C 13 32.633 0.001 . 1 . . . . . 61 LYS CB . 51340 1 60 . 1 . 1 6 6 LYS CG C 13 24.655 0.000 . 1 . . . . . 61 LYS CG . 51340 1 61 . 1 . 1 6 6 LYS CD C 13 29.510 0.000 . 1 . . . . . 61 LYS CD . 51340 1 62 . 1 . 1 6 6 LYS CE C 13 41.602 0.000 . 1 . . . . . 61 LYS CE . 51340 1 63 . 1 . 1 6 6 LYS N N 15 123.089 0.000 . 1 . . . . . 61 LYS N . 51340 1 64 . 1 . 1 7 7 ASP H H 1 8.280 0.000 . 1 . . . . . 62 ASP H . 51340 1 65 . 1 . 1 7 7 ASP C C 13 176.532 0.000 . 1 . . . . . 62 ASP C . 51340 1 66 . 1 . 1 7 7 ASP CA C 13 54.849 0.000 . 1 . . . . . 62 ASP CA . 51340 1 67 . 1 . 1 7 7 ASP CB C 13 41.265 0.000 . 1 . . . . . 62 ASP CB . 51340 1 68 . 1 . 1 7 7 ASP N N 15 121.196 0.001 . 1 . . . . . 62 ASP N . 51340 1 69 . 1 . 1 8 8 LYS H H 1 8.351 0.000 . 1 . . . . . 63 LYS H . 51340 1 70 . 1 . 1 8 8 LYS HA H 1 3.978 0.000 . 1 . . . . . 63 LYS HA . 51340 1 71 . 1 . 1 8 8 LYS HB2 H 1 1.858 0.000 . 2 . . . . . 63 LYS HB2 . 51340 1 72 . 1 . 1 8 8 LYS HB3 H 1 1.763 0.000 . 2 . . . . . 63 LYS HB3 . 51340 1 73 . 1 . 1 8 8 LYS HG2 H 1 1.409 0.000 . 1 . . . . . 63 LYS HG2 . 51340 1 74 . 1 . 1 8 8 LYS HG3 H 1 1.409 0.000 . 1 . . . . . 63 LYS HG3 . 51340 1 75 . 1 . 1 8 8 LYS HD2 H 1 1.679 0.000 . 1 . . . . . 63 LYS HD2 . 51340 1 76 . 1 . 1 8 8 LYS HD3 H 1 1.679 0.000 . 1 . . . . . 63 LYS HD3 . 51340 1 77 . 1 . 1 8 8 LYS HE2 H 1 2.999 0.000 . 1 . . . . . 63 LYS HE2 . 51340 1 78 . 1 . 1 8 8 LYS HE3 H 1 2.999 0.000 . 1 . . . . . 63 LYS HE3 . 51340 1 79 . 1 . 1 8 8 LYS C C 13 176.779 0.000 . 1 . . . . . 63 LYS C . 51340 1 80 . 1 . 1 8 8 LYS CA C 13 56.488 0.000 . 1 . . . . . 63 LYS CA . 51340 1 81 . 1 . 1 8 8 LYS CB C 13 32.959 0.002 . 1 . . . . . 63 LYS CB . 51340 1 82 . 1 . 1 8 8 LYS CG C 13 24.581 0.000 . 1 . . . . . 63 LYS CG . 51340 1 83 . 1 . 1 8 8 LYS CD C 13 29.142 0.000 . 1 . . . . . 63 LYS CD . 51340 1 84 . 1 . 1 8 8 LYS CE C 13 42.218 0.000 . 1 . . . . . 63 LYS CE . 51340 1 85 . 1 . 1 8 8 LYS N N 15 121.159 0.001 . 1 . . . . . 63 LYS N . 51340 1 86 . 1 . 1 9 9 ASP H H 1 8.352 0.000 . 1 . . . . . 64 ASP H . 51340 1 87 . 1 . 1 9 9 ASP HB2 H 1 2.678 0.000 . 1 . . . . . 64 ASP HB2 . 51340 1 88 . 1 . 1 9 9 ASP HB3 H 1 2.678 0.000 . 1 . . . . . 64 ASP HB3 . 51340 1 89 . 1 . 1 9 9 ASP C C 13 174.450 0.000 . 1 . . . . . 64 ASP C . 51340 1 90 . 1 . 1 9 9 ASP CA C 13 54.844 0.000 . 1 . . . . . 64 ASP CA . 51340 1 91 . 1 . 1 9 9 ASP CB C 13 41.315 0.000 . 1 . . . . . 64 ASP CB . 51340 1 92 . 1 . 1 9 9 ASP N N 15 120.884 0.001 . 1 . . . . . 64 ASP N . 51340 1 93 . 1 . 1 10 10 GLY H H 1 8.299 0.000 . 1 . . . . . 65 GLY H . 51340 1 94 . 1 . 1 10 10 GLY HA2 H 1 3.963 0.000 . 1 . . . . . 65 GLY HA2 . 51340 1 95 . 1 . 1 10 10 GLY HA3 H 1 3.963 0.000 . 1 . . . . . 65 GLY HA3 . 51340 1 96 . 1 . 1 10 10 GLY C C 13 174.453 0.000 . 1 . . . . . 65 GLY C . 51340 1 97 . 1 . 1 10 10 GLY CA C 13 45.511 0.000 . 1 . . . . . 65 GLY CA . 51340 1 98 . 1 . 1 10 10 GLY N N 15 109.181 0.000 . 1 . . . . . 65 GLY N . 51340 1 99 . 1 . 1 11 11 GLU H H 1 8.276 0.000 . 1 . . . . . 66 GLU H . 51340 1 100 . 1 . 1 11 11 GLU HA H 1 4.307 0.000 . 1 . . . . . 66 GLU HA . 51340 1 101 . 1 . 1 11 11 GLU HB2 H 1 1.957 0.000 . 2 . . . . . 66 GLU HB2 . 51340 1 102 . 1 . 1 11 11 GLU HB3 H 1 2.084 0.000 . 2 . . . . . 66 GLU HB3 . 51340 1 103 . 1 . 1 11 11 GLU HG2 H 1 2.249 0.000 . 1 . . . . . 66 GLU HG2 . 51340 1 104 . 1 . 1 11 11 GLU HG3 H 1 2.249 0.000 . 1 . . . . . 66 GLU HG3 . 51340 1 105 . 1 . 1 11 11 GLU C C 13 177.108 0.000 . 1 . . . . . 66 GLU C . 51340 1 106 . 1 . 1 11 11 GLU CA C 13 56.780 0.000 . 1 . . . . . 66 GLU CA . 51340 1 107 . 1 . 1 11 11 GLU CB C 13 30.311 0.010 . 1 . . . . . 66 GLU CB . 51340 1 108 . 1 . 1 11 11 GLU CG C 13 36.271 0.000 . 1 . . . . . 66 GLU CG . 51340 1 109 . 1 . 1 11 11 GLU N N 15 120.643 0.000 . 1 . . . . . 66 GLU N . 51340 1 110 . 1 . 1 12 12 GLY H H 1 8.460 0.000 . 1 . . . . . 67 GLY H . 51340 1 111 . 1 . 1 12 12 GLY HA2 H 1 3.929 0.000 . 1 . . . . . 67 GLY HA2 . 51340 1 112 . 1 . 1 12 12 GLY HA3 H 1 3.929 0.000 . 1 . . . . . 67 GLY HA3 . 51340 1 113 . 1 . 1 12 12 GLY C C 13 173.481 0.000 . 1 . . . . . 67 GLY C . 51340 1 114 . 1 . 1 12 12 GLY CA C 13 45.158 0.000 . 1 . . . . . 67 GLY CA . 51340 1 115 . 1 . 1 12 12 GLY N N 15 110.027 0.001 . 1 . . . . . 67 GLY N . 51340 1 116 . 1 . 1 13 13 ALA H H 1 8.083 0.000 . 1 . . . . . 68 ALA H . 51340 1 117 . 1 . 1 13 13 ALA HA H 1 4.601 0.000 . 1 . . . . . 68 ALA HA . 51340 1 118 . 1 . 1 13 13 ALA HB1 H 1 1.332 0.000 . 1 . . . . . 68 ALA HB1 . 51340 1 119 . 1 . 1 13 13 ALA HB2 H 1 1.332 0.000 . 1 . . . . . 68 ALA HB2 . 51340 1 120 . 1 . 1 13 13 ALA HB3 H 1 1.332 0.000 . 1 . . . . . 68 ALA HB3 . 51340 1 121 . 1 . 1 13 13 ALA C C 13 175.149 0.000 . 1 . . . . . 68 ALA C . 51340 1 122 . 1 . 1 13 13 ALA CA C 13 50.504 0.000 . 1 . . . . . 68 ALA CA . 51340 1 123 . 1 . 1 13 13 ALA CB C 13 18.334 0.000 . 1 . . . . . 68 ALA CB . 51340 1 124 . 1 . 1 13 13 ALA N N 15 124.905 0.000 . 1 . . . . . 68 ALA N . 51340 1 125 . 1 . 1 15 15 PRO HA H 1 4.377 0.000 . 1 . . . . . 70 PRO HA . 51340 1 126 . 1 . 1 15 15 PRO HB2 H 1 2.299 0.000 . 1 . . . . . 70 PRO HB2 . 51340 1 127 . 1 . 1 15 15 PRO HB3 H 1 2.299 0.000 . 1 . . . . . 70 PRO HB3 . 51340 1 128 . 1 . 1 15 15 PRO HG2 H 1 1.912 0.000 . 1 . . . . . 70 PRO HG2 . 51340 1 129 . 1 . 1 15 15 PRO HG3 H 1 1.912 0.000 . 1 . . . . . 70 PRO HG3 . 51340 1 130 . 1 . 1 15 15 PRO HD2 H 1 3.833 0.000 . 1 . . . . . 70 PRO HD2 . 51340 1 131 . 1 . 1 15 15 PRO HD3 H 1 3.833 0.000 . 1 . . . . . 70 PRO HD3 . 51340 1 132 . 1 . 1 15 15 PRO C C 13 176.780 0.001 . 1 . . . . . 70 PRO C . 51340 1 133 . 1 . 1 15 15 PRO CA C 13 63.117 0.000 . 1 . . . . . 70 PRO CA . 51340 1 134 . 1 . 1 15 15 PRO CB C 13 31.800 0.000 . 1 . . . . . 70 PRO CB . 51340 1 135 . 1 . 1 15 15 PRO CG C 13 26.827 0.000 . 1 . . . . . 70 PRO CG . 51340 1 136 . 1 . 1 15 15 PRO CD C 13 50.792 0.000 . 1 . . . . . 70 PRO CD . 51340 1 137 . 1 . 1 16 16 ALA H H 1 8.367 0.000 . 1 . . . . . 71 ALA H . 51340 1 138 . 1 . 1 16 16 ALA HA H 1 4.258 0.000 . 1 . . . . . 71 ALA HA . 51340 1 139 . 1 . 1 16 16 ALA HB1 H 1 1.377 0.000 . 1 . . . . . 71 ALA HB1 . 51340 1 140 . 1 . 1 16 16 ALA HB2 H 1 1.377 0.000 . 1 . . . . . 71 ALA HB2 . 51340 1 141 . 1 . 1 16 16 ALA HB3 H 1 1.377 0.000 . 1 . . . . . 71 ALA HB3 . 51340 1 142 . 1 . 1 16 16 ALA C C 13 177.919 0.000 . 1 . . . . . 71 ALA C . 51340 1 143 . 1 . 1 16 16 ALA CA C 13 52.572 0.000 . 1 . . . . . 71 ALA CA . 51340 1 144 . 1 . 1 16 16 ALA CB C 13 19.325 0.000 . 1 . . . . . 71 ALA CB . 51340 1 145 . 1 . 1 16 16 ALA N N 15 124.040 0.001 . 1 . . . . . 71 ALA N . 51340 1 146 . 1 . 1 17 17 LYS H H 1 8.277 0.000 . 1 . . . . . 72 LYS H . 51340 1 147 . 1 . 1 17 17 LYS HA H 1 4.286 0.000 . 1 . . . . . 72 LYS HA . 51340 1 148 . 1 . 1 17 17 LYS HB2 H 1 1.818 0.000 . 2 . . . . . 72 LYS HB2 . 51340 1 149 . 1 . 1 17 17 LYS HB3 H 1 1.733 0.000 . 2 . . . . . 72 LYS HB3 . 51340 1 150 . 1 . 1 17 17 LYS HG2 H 1 1.417 0.000 . 1 . . . . . 72 LYS HG2 . 51340 1 151 . 1 . 1 17 17 LYS HG3 H 1 1.417 0.000 . 1 . . . . . 72 LYS HG3 . 51340 1 152 . 1 . 1 17 17 LYS HD2 H 1 1.675 0.000 . 1 . . . . . 72 LYS HD2 . 51340 1 153 . 1 . 1 17 17 LYS HD3 H 1 1.675 0.000 . 1 . . . . . 72 LYS HD3 . 51340 1 154 . 1 . 1 17 17 LYS HE2 H 1 2.991 0.000 . 1 . . . . . 72 LYS HE2 . 51340 1 155 . 1 . 1 17 17 LYS HE3 H 1 2.991 0.000 . 1 . . . . . 72 LYS HE3 . 51340 1 156 . 1 . 1 17 17 LYS C C 13 176.453 0.000 . 1 . . . . . 72 LYS C . 51340 1 157 . 1 . 1 17 17 LYS CA C 13 56.230 0.000 . 1 . . . . . 72 LYS CA . 51340 1 158 . 1 . 1 17 17 LYS CB C 13 33.120 0.000 . 1 . . . . . 72 LYS CB . 51340 1 159 . 1 . 1 17 17 LYS CG C 13 24.778 0.000 . 1 . . . . . 72 LYS CG . 51340 1 160 . 1 . 1 17 17 LYS CD C 13 29.099 0.000 . 1 . . . . . 72 LYS CD . 51340 1 161 . 1 . 1 17 17 LYS CE C 13 42.218 0.000 . 1 . . . . . 72 LYS CE . 51340 1 162 . 1 . 1 17 17 LYS N N 15 120.656 0.000 . 1 . . . . . 72 LYS N . 51340 1 163 . 1 . 1 18 18 ARG H H 1 8.305 0.000 . 1 . . . . . 73 ARG H . 51340 1 164 . 1 . 1 18 18 ARG HA H 1 4.316 0.000 . 1 . . . . . 73 ARG HA . 51340 1 165 . 1 . 1 18 18 ARG HB2 H 1 1.839 0.000 . 2 . . . . . 73 ARG HB2 . 51340 1 166 . 1 . 1 18 18 ARG HB3 H 1 1.749 0.000 . 2 . . . . . 73 ARG HB3 . 51340 1 167 . 1 . 1 18 18 ARG HD2 H 1 3.209 0.000 . 1 . . . . . 73 ARG HD2 . 51340 1 168 . 1 . 1 18 18 ARG HD3 H 1 3.209 0.000 . 1 . . . . . 73 ARG HD3 . 51340 1 169 . 1 . 1 18 18 ARG C C 13 175.905 0.000 . 1 . . . . . 73 ARG C . 51340 1 170 . 1 . 1 18 18 ARG CA C 13 55.984 0.000 . 1 . . . . . 73 ARG CA . 51340 1 171 . 1 . 1 18 18 ARG CB C 13 31.113 0.006 . 1 . . . . . 73 ARG CB . 51340 1 172 . 1 . 1 18 18 ARG CG C 13 27.538 0.000 . 1 . . . . . 73 ARG CG . 51340 1 173 . 1 . 1 18 18 ARG CD C 13 43.681 0.000 . 1 . . . . . 73 ARG CD . 51340 1 174 . 1 . 1 18 18 ARG N N 15 122.729 0.000 . 1 . . . . . 73 ARG N . 51340 1 175 . 1 . 1 19 19 ALA H H 1 8.404 0.001 . 1 . . . . . 74 ALA H . 51340 1 176 . 1 . 1 19 19 ALA HA H 1 4.318 0.000 . 1 . . . . . 74 ALA HA . 51340 1 177 . 1 . 1 19 19 ALA HB1 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB1 . 51340 1 178 . 1 . 1 19 19 ALA HB2 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB2 . 51340 1 179 . 1 . 1 19 19 ALA HB3 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB3 . 51340 1 180 . 1 . 1 19 19 ALA C C 13 177.735 0.000 . 1 . . . . . 74 ALA C . 51340 1 181 . 1 . 1 19 19 ALA CA C 13 52.467 0.000 . 1 . . . . . 74 ALA CA . 51340 1 182 . 1 . 1 19 19 ALA CB C 13 19.482 0.000 . 1 . . . . . 74 ALA CB . 51340 1 183 . 1 . 1 19 19 ALA N N 15 125.925 0.003 . 1 . . . . . 74 ALA N . 51340 1 184 . 1 . 1 20 20 ARG H H 1 8.429 0.000 . 1 . . . . . 75 ARG H . 51340 1 185 . 1 . 1 20 20 ARG HA H 1 4.398 0.000 . 1 . . . . . 75 ARG HA . 51340 1 186 . 1 . 1 20 20 ARG HB2 H 1 1.809 0.000 . 2 . . . . . 75 ARG HB2 . 51340 1 187 . 1 . 1 20 20 ARG HB3 H 1 1.911 0.000 . 2 . . . . . 75 ARG HB3 . 51340 1 188 . 1 . 1 20 20 ARG HG2 H 1 1.666 0.000 . 1 . . . . . 75 ARG HG2 . 51340 1 189 . 1 . 1 20 20 ARG HG3 H 1 1.666 0.000 . 1 . . . . . 75 ARG HG3 . 51340 1 190 . 1 . 1 20 20 ARG C C 13 176.865 0.000 . 1 . . . . . 75 ARG C . 51340 1 191 . 1 . 1 20 20 ARG CA C 13 56.349 0.000 . 1 . . . . . 75 ARG CA . 51340 1 192 . 1 . 1 20 20 ARG CB C 13 30.983 0.010 . 1 . . . . . 75 ARG CB . 51340 1 193 . 1 . 1 20 20 ARG CG C 13 27.041 0.000 . 1 . . . . . 75 ARG CG . 51340 1 194 . 1 . 1 20 20 ARG CD C 13 43.561 0.000 . 1 . . . . . 75 ARG CD . 51340 1 195 . 1 . 1 20 20 ARG N N 15 120.677 0.001 . 1 . . . . . 75 ARG N . 51340 1 196 . 1 . 1 21 21 THR H H 1 8.262 0.000 . 1 . . . . . 76 THR H . 51340 1 197 . 1 . 1 21 21 THR HB H 1 4.304 0.000 . 1 . . . . . 76 THR HB . 51340 1 198 . 1 . 1 21 21 THR HG21 H 1 1.197 0.000 . 1 . . . . . 76 THR HG1 . 51340 1 199 . 1 . 1 21 21 THR HG22 H 1 1.197 0.000 . 1 . . . . . 76 THR HG1 . 51340 1 200 . 1 . 1 21 21 THR HG23 H 1 1.197 0.000 . 1 . . . . . 76 THR HG1 . 51340 1 201 . 1 . 1 21 21 THR C C 13 174.522 0.000 . 1 . . . . . 76 THR C . 51340 1 202 . 1 . 1 21 21 THR CA C 13 61.906 0.000 . 1 . . . . . 76 THR CA . 51340 1 203 . 1 . 1 21 21 THR CB C 13 69.751 0.000 . 1 . . . . . 76 THR CB . 51340 1 204 . 1 . 1 21 21 THR CG2 C 13 21.152 0.000 . 1 . . . . . 76 THR CG2 . 51340 1 205 . 1 . 1 21 21 THR N N 15 114.359 0.002 . 1 . . . . . 76 THR N . 51340 1 206 . 1 . 1 22 22 ASP H H 1 8.373 0.000 . 1 . . . . . 77 ASP H . 51340 1 207 . 1 . 1 22 22 ASP HA H 1 4.561 0.000 . 1 . . . . . 77 ASP HA . 51340 1 208 . 1 . 1 22 22 ASP HB2 H 1 2.694 0.000 . 2 . . . . . 77 ASP HB2 . 51340 1 209 . 1 . 1 22 22 ASP HB3 H 1 2.699 0.000 . 2 . . . . . 77 ASP HB3 . 51340 1 210 . 1 . 1 22 22 ASP C C 13 176.182 0.000 . 1 . . . . . 77 ASP C . 51340 1 211 . 1 . 1 22 22 ASP CA C 13 54.725 0.000 . 1 . . . . . 77 ASP CA . 51340 1 212 . 1 . 1 22 22 ASP CB C 13 41.064 0.000 . 1 . . . . . 77 ASP CB . 51340 1 213 . 1 . 1 22 22 ASP N N 15 121.872 0.002 . 1 . . . . . 77 ASP N . 51340 1 214 . 1 . 1 23 23 GLN H H 1 8.222 0.000 . 1 . . . . . 78 GLN H . 51340 1 215 . 1 . 1 23 23 GLN HA H 1 4.311 0.000 . 1 . . . . . 78 GLN HA . 51340 1 216 . 1 . 1 23 23 GLN HB2 H 1 1.968 0.024 . 2 . . . . . 78 GLN HB2 . 51340 1 217 . 1 . 1 23 23 GLN HB3 H 1 2.129 0.000 . 2 . . . . . 78 GLN HB3 . 51340 1 218 . 1 . 1 23 23 GLN HG2 H 1 2.345 0.000 . 1 . . . . . 78 GLN HG2 . 51340 1 219 . 1 . 1 23 23 GLN HE21 H 1 7.564 0.000 . 1 . . . . . 78 GLN HE21 . 51340 1 220 . 1 . 1 23 23 GLN HE22 H 1 6.851 0.000 . 1 . . . . . 78 GLN HE22 . 51340 1 221 . 1 . 1 23 23 GLN C C 13 175.913 0.000 . 1 . . . . . 78 GLN C . 51340 1 222 . 1 . 1 23 23 GLN CA C 13 56.029 0.000 . 1 . . . . . 78 GLN CA . 51340 1 223 . 1 . 1 23 23 GLN CB C 13 29.421 0.047 . 1 . . . . . 78 GLN CB . 51340 1 224 . 1 . 1 23 23 GLN CG C 13 33.816 0.000 . 1 . . . . . 78 GLN CG . 51340 1 225 . 1 . 1 23 23 GLN CD C 13 180.612 0.001 . 1 . . . . . 78 GLN CD . 51340 1 226 . 1 . 1 23 23 GLN N N 15 119.842 0.001 . 1 . . . . . 78 GLN N . 51340 1 227 . 1 . 1 23 23 GLN NE2 N 15 112.579 0.016 . 1 . . . . . 78 GLN NE2 . 51340 1 228 . 1 . 1 24 24 MET H H 1 8.332 0.000 . 1 . . . . . 79 MET H . 51340 1 229 . 1 . 1 24 24 MET HA H 1 4.431 0.000 . 1 . . . . . 79 MET HA . 51340 1 230 . 1 . 1 24 24 MET HB2 H 1 2.024 0.000 . 2 . . . . . 79 MET HB2 . 51340 1 231 . 1 . 1 24 24 MET HB3 H 1 2.075 0.000 . 2 . . . . . 79 MET HB3 . 51340 1 232 . 1 . 1 24 24 MET HG2 H 1 2.599 0.000 . 2 . . . . . 79 MET HG2 . 51340 1 233 . 1 . 1 24 24 MET HG3 H 1 2.522 0.000 . 2 . . . . . 79 MET HG3 . 51340 1 234 . 1 . 1 24 24 MET HE1 H 1 2.091 0.000 . 1 . . . . . 79 MET HE1 . 51340 1 235 . 1 . 1 24 24 MET HE2 H 1 2.091 0.000 . 1 . . . . . 79 MET HE2 . 51340 1 236 . 1 . 1 24 24 MET HE3 H 1 2.091 0.000 . 1 . . . . . 79 MET HE3 . 51340 1 237 . 1 . 1 24 24 MET C C 13 176.256 0.000 . 1 . . . . . 79 MET C . 51340 1 238 . 1 . 1 24 24 MET CA C 13 55.848 0.000 . 1 . . . . . 79 MET CA . 51340 1 239 . 1 . 1 24 24 MET CB C 13 32.933 0.004 . 1 . . . . . 79 MET CB . 51340 1 240 . 1 . 1 24 24 MET CG C 13 32.157 0.001 . 1 . . . . . 79 MET CG . 51340 1 241 . 1 . 1 24 24 MET CE C 13 17.080 0.000 . 1 . . . . . 79 MET CE . 51340 1 242 . 1 . 1 24 24 MET N N 15 120.989 0.000 . 1 . . . . . 79 MET N . 51340 1 243 . 1 . 1 25 25 GLU H H 1 8.410 0.000 . 1 . . . . . 80 GLU H . 51340 1 244 . 1 . 1 25 25 GLU HA H 1 4.322 0.000 . 1 . . . . . 80 GLU HA . 51340 1 245 . 1 . 1 25 25 GLU HB2 H 1 1.962 0.000 . 2 . . . . . 80 GLU HB2 . 51340 1 246 . 1 . 1 25 25 GLU HB3 H 1 2.004 0.000 . 2 . . . . . 80 GLU HB3 . 51340 1 247 . 1 . 1 25 25 GLU HG2 H 1 2.254 0.000 . 1 . . . . . 80 GLU HG2 . 51340 1 248 . 1 . 1 25 25 GLU C C 13 176.563 0.000 . 1 . . . . . 80 GLU C . 51340 1 249 . 1 . 1 25 25 GLU CA C 13 56.660 0.000 . 1 . . . . . 80 GLU CA . 51340 1 250 . 1 . 1 25 25 GLU CB C 13 30.252 0.003 . 1 . . . . . 80 GLU CB . 51340 1 251 . 1 . 1 25 25 GLU CG C 13 36.273 0.000 . 1 . . . . . 80 GLU CG . 51340 1 252 . 1 . 1 25 25 GLU N N 15 122.213 0.000 . 1 . . . . . 80 GLU N . 51340 1 253 . 1 . 1 26 26 VAL H H 1 8.179 0.001 . 1 . . . . . 81 VAL H . 51340 1 254 . 1 . 1 26 26 VAL HA H 1 4.101 0.000 . 1 . . . . . 81 VAL HA . 51340 1 255 . 1 . 1 26 26 VAL HB H 1 2.073 0.000 . 1 . . . . . 81 VAL HB . 51340 1 256 . 1 . 1 26 26 VAL HG11 H 1 0.904 0.016 . 2 . . . . . 81 VAL HG11 . 51340 1 257 . 1 . 1 26 26 VAL HG12 H 1 0.904 0.016 . 2 . . . . . 81 VAL HG12 . 51340 1 258 . 1 . 1 26 26 VAL HG13 H 1 0.904 0.016 . 2 . . . . . 81 VAL HG13 . 51340 1 259 . 1 . 1 26 26 VAL HG21 H 1 0.928 0.000 . 2 . . . . . 81 VAL HG21 . 51340 1 260 . 1 . 1 26 26 VAL HG22 H 1 0.928 0.000 . 2 . . . . . 81 VAL HG22 . 51340 1 261 . 1 . 1 26 26 VAL HG23 H 1 0.928 0.000 . 2 . . . . . 81 VAL HG23 . 51340 1 262 . 1 . 1 26 26 VAL C C 13 175.942 0.000 . 1 . . . . . 81 VAL C . 51340 1 263 . 1 . 1 26 26 VAL CA C 13 62.439 0.000 . 1 . . . . . 81 VAL CA . 51340 1 264 . 1 . 1 26 26 VAL CB C 13 32.914 0.000 . 1 . . . . . 81 VAL CB . 51340 1 265 . 1 . 1 26 26 VAL CG1 C 13 20.547 0.000 . 1 . . . . . 81 VAL CG1 . 51340 1 266 . 1 . 1 26 26 VAL CG2 C 13 20.291 0.000 . 1 . . . . . 81 VAL CG2 . 51340 1 267 . 1 . 1 26 26 VAL N N 15 120.810 0.013 . 1 . . . . . 81 VAL N . 51340 1 268 . 1 . 1 27 27 ASP H H 1 8.432 0.000 . 1 . . . . . 82 ASP H . 51340 1 269 . 1 . 1 27 27 ASP HA H 1 4.654 0.000 . 1 . . . . . 82 ASP HA . 51340 1 270 . 1 . 1 27 27 ASP HB2 H 1 2.711 0.000 . 2 . . . . . 82 ASP HB2 . 51340 1 271 . 1 . 1 27 27 ASP HB3 H 1 2.648 0.000 . 2 . . . . . 82 ASP HB3 . 51340 1 272 . 1 . 1 27 27 ASP C C 13 176.135 0.004 . 1 . . . . . 82 ASP C . 51340 1 273 . 1 . 1 27 27 ASP CA C 13 54.454 0.000 . 1 . . . . . 82 ASP CA . 51340 1 274 . 1 . 1 27 27 ASP CB C 13 41.351 0.015 . 1 . . . . . 82 ASP CB . 51340 1 275 . 1 . 1 27 27 ASP N N 15 123.792 0.001 . 1 . . . . . 82 ASP N . 51340 1 276 . 1 . 1 28 28 SER H H 1 8.243 0.001 . 1 . . . . . 83 SER H . 51340 1 277 . 1 . 1 28 28 SER HA H 1 4.486 0.000 . 1 . . . . . 83 SER HA . 51340 1 278 . 1 . 1 28 28 SER HB2 H 1 3.851 0.000 . 2 . . . . . 83 SER HB2 . 51340 1 279 . 1 . 1 28 28 SER HB3 H 1 3.928 0.000 . 2 . . . . . 83 SER HB3 . 51340 1 280 . 1 . 1 28 28 SER C C 13 174.725 0.000 . 1 . . . . . 83 SER C . 51340 1 281 . 1 . 1 28 28 SER CA C 13 58.326 0.000 . 1 . . . . . 83 SER CA . 51340 1 282 . 1 . 1 28 28 SER CB C 13 64.106 0.006 . 1 . . . . . 83 SER CB . 51340 1 283 . 1 . 1 28 28 SER N N 15 116.643 0.010 . 1 . . . . . 83 SER N . 51340 1 284 . 1 . 1 29 29 GLY H H 1 8.336 0.001 . 1 . . . . . 84 GLY H . 51340 1 285 . 1 . 1 29 29 GLY HA2 H 1 4.103 0.000 . 2 . . . . . 84 GLY HA2 . 51340 1 286 . 1 . 1 29 29 GLY HA3 H 1 4.143 0.000 . 2 . . . . . 84 GLY HA3 . 51340 1 287 . 1 . 1 29 29 GLY C C 13 172.143 0.000 . 1 . . . . . 84 GLY C . 51340 1 288 . 1 . 1 29 29 GLY CA C 13 44.983 0.001 . 1 . . . . . 84 GLY CA . 51340 1 289 . 1 . 1 29 29 GLY N N 15 110.762 0.006 . 1 . . . . . 84 GLY N . 51340 1 290 . 1 . 1 30 30 PRO HA H 1 4.428 0.000 . 1 . . . . . 85 PRO HA . 51340 1 291 . 1 . 1 30 30 PRO HB2 H 1 2.279 0.000 . 1 . . . . . 85 PRO HB2 . 51340 1 292 . 1 . 1 30 30 PRO HB3 H 1 2.279 0.000 . 1 . . . . . 85 PRO HB3 . 51340 1 293 . 1 . 1 30 30 PRO HG2 H 1 1.962 0.000 . 2 . . . . . 85 PRO HG2 . 51340 1 294 . 1 . 1 30 30 PRO HG3 H 1 1.976 0.000 . 2 . . . . . 85 PRO HG3 . 51340 1 295 . 1 . 1 30 30 PRO HD2 H 1 3.640 0.000 . 1 . . . . . 85 PRO HD2 . 51340 1 296 . 1 . 1 30 30 PRO HD3 H 1 3.640 0.000 . 1 . . . . . 85 PRO HD3 . 51340 1 297 . 1 . 1 30 30 PRO C C 13 177.881 0.000 . 1 . . . . . 85 PRO C . 51340 1 298 . 1 . 1 30 30 PRO CA C 13 63.702 0.000 . 1 . . . . . 85 PRO CA . 51340 1 299 . 1 . 1 30 30 PRO CB C 13 32.081 0.000 . 1 . . . . . 85 PRO CB . 51340 1 300 . 1 . 1 30 30 PRO CG C 13 26.782 0.000 . 1 . . . . . 85 PRO CG . 51340 1 301 . 1 . 1 30 30 PRO CD C 13 50.973 0.000 . 1 . . . . . 85 PRO CD . 51340 1 302 . 1 . 1 31 31 GLY H H 1 8.538 0.000 . 1 . . . . . 86 GLY H . 51340 1 303 . 1 . 1 31 31 GLY HA2 H 1 3.927 0.000 . 1 . . . . . 86 GLY HA2 . 51340 1 304 . 1 . 1 31 31 GLY HA3 H 1 3.927 0.000 . 1 . . . . . 86 GLY HA3 . 51340 1 305 . 1 . 1 31 31 GLY C C 13 174.106 0.000 . 1 . . . . . 86 GLY C . 51340 1 306 . 1 . 1 31 31 GLY CA C 13 45.407 0.000 . 1 . . . . . 86 GLY CA . 51340 1 307 . 1 . 1 31 31 GLY N N 15 109.328 0.001 . 1 . . . . . 86 GLY N . 51340 1 308 . 1 . 1 32 32 LYS H H 1 8.072 0.000 . 1 . . . . . 87 LYS H . 51340 1 309 . 1 . 1 32 32 LYS HA H 1 4.321 0.000 . 1 . . . . . 87 LYS HA . 51340 1 310 . 1 . 1 32 32 LYS HB2 H 1 1.799 0.000 . 1 . . . . . 87 LYS HB2 . 51340 1 311 . 1 . 1 32 32 LYS HB3 H 1 1.799 0.000 . 1 . . . . . 87 LYS HB3 . 51340 1 312 . 1 . 1 32 32 LYS HG2 H 1 1.389 0.000 . 1 . . . . . 87 LYS HG2 . 51340 1 313 . 1 . 1 32 32 LYS HG3 H 1 1.389 0.000 . 1 . . . . . 87 LYS HG3 . 51340 1 314 . 1 . 1 32 32 LYS HD2 H 1 1.666 0.000 . 1 . . . . . 87 LYS HD2 . 51340 1 315 . 1 . 1 32 32 LYS HD3 H 1 1.666 0.000 . 1 . . . . . 87 LYS HD3 . 51340 1 316 . 1 . 1 32 32 LYS HE2 H 1 2.932 0.000 . 1 . . . . . 87 LYS HE2 . 51340 1 317 . 1 . 1 32 32 LYS HE3 H 1 2.932 0.000 . 1 . . . . . 87 LYS HE3 . 51340 1 318 . 1 . 1 32 32 LYS C C 13 176.428 0.000 . 1 . . . . . 87 LYS C . 51340 1 319 . 1 . 1 32 32 LYS CA C 13 56.137 0.000 . 1 . . . . . 87 LYS CA . 51340 1 320 . 1 . 1 32 32 LYS CB C 13 32.984 0.000 . 1 . . . . . 87 LYS CB . 51340 1 321 . 1 . 1 32 32 LYS CG C 13 24.741 0.000 . 1 . . . . . 87 LYS CG . 51340 1 322 . 1 . 1 32 32 LYS N N 15 120.522 0.001 . 1 . . . . . 87 LYS N . 51340 1 323 . 1 . 1 33 33 ARG H H 1 8.317 0.000 . 1 . . . . . 88 ARG H . 51340 1 324 . 1 . 1 33 33 ARG HA H 1 4.607 0.000 . 1 . . . . . 88 ARG HA . 51340 1 325 . 1 . 1 33 33 ARG HB2 H 1 1.735 0.000 . 2 . . . . . 88 ARG HB2 . 51340 1 326 . 1 . 1 33 33 ARG HB3 H 1 1.837 0.000 . 2 . . . . . 88 ARG HB3 . 51340 1 327 . 1 . 1 33 33 ARG C C 13 174.223 0.000 . 1 . . . . . 88 ARG C . 51340 1 328 . 1 . 1 33 33 ARG CA C 13 54.062 0.000 . 1 . . . . . 88 ARG CA . 51340 1 329 . 1 . 1 33 33 ARG CB C 13 30.295 0.000 . 1 . . . . . 88 ARG CB . 51340 1 330 . 1 . 1 33 33 ARG N N 15 123.121 0.003 . 1 . . . . . 88 ARG N . 51340 1 331 . 1 . 1 34 34 PRO HA H 1 4.420 0.000 . 1 . . . . . 89 PRO HA . 51340 1 332 . 1 . 1 34 34 PRO HB2 H 1 2.268 0.000 . 1 . . . . . 89 PRO HB2 . 51340 1 333 . 1 . 1 34 34 PRO HD2 H 1 3.794 0.000 . 2 . . . . . 89 PRO HD2 . 51340 1 334 . 1 . 1 34 34 PRO HD3 H 1 3.614 0.000 . 2 . . . . . 89 PRO HD3 . 51340 1 335 . 1 . 1 34 34 PRO C C 13 176.810 0.000 . 1 . . . . . 89 PRO C . 51340 1 336 . 1 . 1 34 34 PRO CA C 13 63.046 0.000 . 1 . . . . . 89 PRO CA . 51340 1 337 . 1 . 1 34 34 PRO CB C 13 32.212 0.000 . 1 . . . . . 89 PRO CB . 51340 1 338 . 1 . 1 34 34 PRO CG C 13 27.555 0.000 . 1 . . . . . 89 PRO CG . 51340 1 339 . 1 . 1 34 34 PRO CD C 13 51.104 0.000 . 1 . . . . . 89 PRO CD . 51340 1 340 . 1 . 1 35 35 LEU H H 1 8.383 0.000 . 1 . . . . . 90 LEU H . 51340 1 341 . 1 . 1 35 35 LEU HA H 1 4.339 0.000 . 1 . . . . . 90 LEU HA . 51340 1 342 . 1 . 1 35 35 LEU HB2 H 1 1.611 0.000 . 1 . . . . . 90 LEU HB2 . 51340 1 343 . 1 . 1 35 35 LEU HB3 H 1 1.611 0.000 . 1 . . . . . 90 LEU HB3 . 51340 1 344 . 1 . 1 35 35 LEU HG H 1 1.610 0.000 . 1 . . . . . 90 LEU HG . 51340 1 345 . 1 . 1 35 35 LEU HD11 H 1 0.881 0.000 . 2 . . . . . 90 LEU HD11 . 51340 1 346 . 1 . 1 35 35 LEU HD12 H 1 0.881 0.000 . 2 . . . . . 90 LEU HD12 . 51340 1 347 . 1 . 1 35 35 LEU HD13 H 1 0.881 0.000 . 2 . . . . . 90 LEU HD13 . 51340 1 348 . 1 . 1 35 35 LEU HD21 H 1 0.910 0.000 . 2 . . . . . 90 LEU HD21 . 51340 1 349 . 1 . 1 35 35 LEU HD22 H 1 0.910 0.000 . 2 . . . . . 90 LEU HD22 . 51340 1 350 . 1 . 1 35 35 LEU HD23 H 1 0.910 0.000 . 2 . . . . . 90 LEU HD23 . 51340 1 351 . 1 . 1 35 35 LEU C C 13 177.524 0.000 . 1 . . . . . 90 LEU C . 51340 1 352 . 1 . 1 35 35 LEU CA C 13 55.686 0.000 . 1 . . . . . 90 LEU CA . 51340 1 353 . 1 . 1 35 35 LEU CB C 13 42.436 0.000 . 1 . . . . . 90 LEU CB . 51340 1 354 . 1 . 1 35 35 LEU CG C 13 26.896 0.000 . 1 . . . . . 90 LEU CG . 51340 1 355 . 1 . 1 35 35 LEU CD1 C 13 23.065 0.000 . 2 . . . . . 90 LEU CD1 . 51340 1 356 . 1 . 1 35 35 LEU CD2 C 13 24.731 0.000 . 2 . . . . . 90 LEU CD2 . 51340 1 357 . 1 . 1 35 35 LEU N N 15 122.784 0.001 . 1 . . . . . 90 LEU N . 51340 1 358 . 1 . 1 36 36 ARG H H 1 8.396 0.000 . 1 . . . . . 91 ARG H . 51340 1 359 . 1 . 1 36 36 ARG C C 13 176.609 0.016 . 1 . . . . . 91 ARG C . 51340 1 360 . 1 . 1 36 36 ARG CA C 13 56.285 0.000 . 1 . . . . . 91 ARG CA . 51340 1 361 . 1 . 1 36 36 ARG CB C 13 30.522 0.000 . 1 . . . . . 91 ARG CB . 51340 1 362 . 1 . 1 36 36 ARG N N 15 121.648 0.001 . 1 . . . . . 91 ARG N . 51340 1 363 . 1 . 1 37 37 GLY H H 1 8.435 0.001 . 1 . . . . . 92 GLY H . 51340 1 364 . 1 . 1 37 37 GLY HA2 H 1 3.914 0.000 . 1 . . . . . 92 GLY HA2 . 51340 1 365 . 1 . 1 37 37 GLY HA3 H 1 3.914 0.000 . 1 . . . . . 92 GLY HA3 . 51340 1 366 . 1 . 1 37 37 GLY C C 13 174.302 0.000 . 1 . . . . . 92 GLY C . 51340 1 367 . 1 . 1 37 37 GLY CA C 13 45.301 0.000 . 1 . . . . . 92 GLY CA . 51340 1 368 . 1 . 1 37 37 GLY N N 15 110.203 0.004 . 1 . . . . . 92 GLY N . 51340 1 369 . 1 . 1 38 38 GLY H H 1 8.205 0.000 . 1 . . . . . 93 GLY H . 51340 1 370 . 1 . 1 38 38 GLY HA2 H 1 3.858 0.000 . 1 . . . . . 93 GLY HA2 . 51340 1 371 . 1 . 1 38 38 GLY HA3 H 1 3.858 0.000 . 1 . . . . . 93 GLY HA3 . 51340 1 372 . 1 . 1 38 38 GLY C C 13 173.879 0.000 . 1 . . . . . 93 GLY C . 51340 1 373 . 1 . 1 38 38 GLY CA C 13 45.170 0.000 . 1 . . . . . 93 GLY CA . 51340 1 374 . 1 . 1 38 38 GLY N N 15 108.132 0.001 . 1 . . . . . 93 GLY N . 51340 1 375 . 1 . 1 39 39 PHE H H 1 8.134 0.000 . 1 . . . . . 94 PHE H . 51340 1 376 . 1 . 1 39 39 PHE HA H 1 4.880 0.000 . 1 . . . . . 94 PHE HA . 51340 1 377 . 1 . 1 39 39 PHE HB2 H 1 2.931 0.000 . 2 . . . . . 94 PHE HB2 . 51340 1 378 . 1 . 1 39 39 PHE HB3 H 1 3.272 0.000 . 2 . . . . . 94 PHE HB3 . 51340 1 379 . 1 . 1 39 39 PHE C C 13 176.917 0.000 . 1 . . . . . 94 PHE C . 51340 1 380 . 1 . 1 39 39 PHE CA C 13 57.445 0.000 . 1 . . . . . 94 PHE CA . 51340 1 381 . 1 . 1 39 39 PHE CB C 13 40.486 0.000 . 1 . . . . . 94 PHE CB . 51340 1 382 . 1 . 1 39 39 PHE N N 15 119.612 0.001 . 1 . . . . . 94 PHE N . 51340 1 383 . 1 . 1 40 40 THR H H 1 8.730 0.000 . 1 . . . . . 95 THR H . 51340 1 384 . 1 . 1 40 40 THR HA H 1 4.448 0.000 . 1 . . . . . 95 THR HA . 51340 1 385 . 1 . 1 40 40 THR HB H 1 4.536 0.000 . 1 . . . . . 95 THR HB . 51340 1 386 . 1 . 1 40 40 THR HG21 H 1 1.293 0.000 . 1 . . . . . 95 THR HG21 . 51340 1 387 . 1 . 1 40 40 THR HG22 H 1 1.293 0.000 . 1 . . . . . 95 THR HG22 . 51340 1 388 . 1 . 1 40 40 THR HG23 H 1 1.293 0.000 . 1 . . . . . 95 THR HG23 . 51340 1 389 . 1 . 1 40 40 THR C C 13 174.965 0.000 . 1 . . . . . 95 THR C . 51340 1 390 . 1 . 1 40 40 THR CA C 13 61.454 0.000 . 1 . . . . . 95 THR CA . 51340 1 391 . 1 . 1 40 40 THR CB C 13 70.814 0.000 . 1 . . . . . 95 THR CB . 51340 1 392 . 1 . 1 40 40 THR CG2 C 13 21.849 0.000 . 1 . . . . . 95 THR CG2 . 51340 1 393 . 1 . 1 40 40 THR N N 15 114.498 0.001 . 1 . . . . . 95 THR N . 51340 1 394 . 1 . 1 41 41 ASP H H 1 8.685 0.000 . 1 . . . . . 96 ASP H . 51340 1 395 . 1 . 1 41 41 ASP HA H 1 4.429 0.000 . 1 . . . . . 96 ASP HA . 51340 1 396 . 1 . 1 41 41 ASP HB2 H 1 2.709 0.000 . 2 . . . . . 96 ASP HB2 . 51340 1 397 . 1 . 1 41 41 ASP HB3 H 1 2.686 0.000 . 2 . . . . . 96 ASP HB3 . 51340 1 398 . 1 . 1 41 41 ASP C C 13 177.998 0.000 . 1 . . . . . 96 ASP C . 51340 1 399 . 1 . 1 41 41 ASP CA C 13 57.013 0.000 . 1 . . . . . 96 ASP CA . 51340 1 400 . 1 . 1 41 41 ASP CB C 13 40.619 0.000 . 1 . . . . . 96 ASP CB . 51340 1 401 . 1 . 1 41 41 ASP N N 15 121.764 0.002 . 1 . . . . . 96 ASP N . 51340 1 402 . 1 . 1 42 42 LYS H H 1 8.282 0.000 . 1 . . . . . 97 LYS H . 51340 1 403 . 1 . 1 42 42 LYS HA H 1 4.039 0.000 . 1 . . . . . 97 LYS HA . 51340 1 404 . 1 . 1 42 42 LYS HB2 H 1 1.797 0.000 . 1 . . . . . 97 LYS HB2 . 51340 1 405 . 1 . 1 42 42 LYS HE2 H 1 3.006 0.000 . 1 . . . . . 97 LYS HE2 . 51340 1 406 . 1 . 1 42 42 LYS C C 13 177.946 0.000 . 1 . . . . . 97 LYS C . 51340 1 407 . 1 . 1 42 42 LYS CA C 13 58.943 0.000 . 1 . . . . . 97 LYS CA . 51340 1 408 . 1 . 1 42 42 LYS CB C 13 32.564 0.000 . 1 . . . . . 97 LYS CB . 51340 1 409 . 1 . 1 42 42 LYS CG C 13 24.768 0.000 . 1 . . . . . 97 LYS CG . 51340 1 410 . 1 . 1 42 42 LYS CD C 13 28.632 0.000 . 1 . . . . . 97 LYS CD . 51340 1 411 . 1 . 1 42 42 LYS CE C 13 42.316 0.000 . 1 . . . . . 97 LYS CE . 51340 1 412 . 1 . 1 42 42 LYS N N 15 121.287 0.026 . 1 . . . . . 97 LYS N . 51340 1 413 . 1 . 1 43 43 GLU H H 1 7.894 0.000 . 1 . . . . . 98 GLU H . 51340 1 414 . 1 . 1 43 43 GLU HA H 1 4.018 0.000 . 1 . . . . . 98 GLU HA . 51340 1 415 . 1 . 1 43 43 GLU HB2 H 1 1.866 0.000 . 2 . . . . . 98 GLU HB2 . 51340 1 416 . 1 . 1 43 43 GLU HB3 H 1 2.236 0.000 . 2 . . . . . 98 GLU HB3 . 51340 1 417 . 1 . 1 43 43 GLU HG2 H 1 2.336 0.000 . 2 . . . . . 98 GLU HG2 . 51340 1 418 . 1 . 1 43 43 GLU HG3 H 1 2.237 0.000 . 2 . . . . . 98 GLU HG3 . 51340 1 419 . 1 . 1 43 43 GLU C C 13 179.133 0.000 . 1 . . . . . 98 GLU C . 51340 1 420 . 1 . 1 43 43 GLU CA C 13 59.272 0.006 . 1 . . . . . 98 GLU CA . 51340 1 421 . 1 . 1 43 43 GLU CB C 13 29.900 0.004 . 1 . . . . . 98 GLU CB . 51340 1 422 . 1 . 1 43 43 GLU CG C 13 37.302 0.003 . 1 . . . . . 98 GLU CG . 51340 1 423 . 1 . 1 43 43 GLU N N 15 118.990 0.002 . 1 . . . . . 98 GLU N . 51340 1 424 . 1 . 1 44 44 ARG H H 1 8.258 0.000 . 1 . . . . . 99 ARG H . 51340 1 425 . 1 . 1 44 44 ARG HA H 1 4.010 0.000 . 1 . . . . . 99 ARG HA . 51340 1 426 . 1 . 1 44 44 ARG HB2 H 1 1.935 0.000 . 2 . . . . . 99 ARG HB2 . 51340 1 427 . 1 . 1 44 44 ARG HB3 H 1 1.800 0.000 . 2 . . . . . 99 ARG HB3 . 51340 1 428 . 1 . 1 44 44 ARG HG2 H 1 1.583 0.000 . 2 . . . . . 99 ARG HG2 . 51340 1 429 . 1 . 1 44 44 ARG HG3 H 1 1.782 0.000 . 2 . . . . . 99 ARG HG3 . 51340 1 430 . 1 . 1 44 44 ARG HD2 H 1 3.221 0.000 . 1 . . . . . 99 ARG HD2 . 51340 1 431 . 1 . 1 44 44 ARG HD3 H 1 3.221 0.000 . 1 . . . . . 99 ARG HD3 . 51340 1 432 . 1 . 1 44 44 ARG C C 13 178.906 0.000 . 1 . . . . . 99 ARG C . 51340 1 433 . 1 . 1 44 44 ARG CA C 13 59.148 0.000 . 1 . . . . . 99 ARG CA . 51340 1 434 . 1 . 1 44 44 ARG CB C 13 30.213 0.000 . 1 . . . . . 99 ARG CB . 51340 1 435 . 1 . 1 44 44 ARG CG C 13 28.091 0.000 . 1 . . . . . 99 ARG CG . 51340 1 436 . 1 . 1 44 44 ARG N N 15 119.442 0.004 . 1 . . . . . 99 ARG N . 51340 1 437 . 1 . 1 45 45 GLN H H 1 8.249 0.000 . 1 . . . . . 100 GLN H . 51340 1 438 . 1 . 1 45 45 GLN HA H 1 4.065 0.000 . 1 . . . . . 100 GLN HA . 51340 1 439 . 1 . 1 45 45 GLN HB2 H 1 2.195 0.000 . 1 . . . . . 100 GLN HB2 . 51340 1 440 . 1 . 1 45 45 GLN HB3 H 1 2.195 0.000 . 1 . . . . . 100 GLN HB3 . 51340 1 441 . 1 . 1 45 45 GLN HG2 H 1 2.436 0.001 . 2 . . . . . 100 GLN HG2 . 51340 1 442 . 1 . 1 45 45 GLN HG3 H 1 2.499 0.000 . 2 . . . . . 100 GLN HG3 . 51340 1 443 . 1 . 1 45 45 GLN HE21 H 1 7.584 0.001 . 1 . . . . . 100 GLN HE21 . 51340 1 444 . 1 . 1 45 45 GLN HE22 H 1 6.866 0.004 . 1 . . . . . 100 GLN HE22 . 51340 1 445 . 1 . 1 45 45 GLN C C 13 178.580 0.000 . 1 . . . . . 100 GLN C . 51340 1 446 . 1 . 1 45 45 GLN CA C 13 58.757 0.000 . 1 . . . . . 100 GLN CA . 51340 1 447 . 1 . 1 45 45 GLN CB C 13 28.378 0.000 . 1 . . . . . 100 GLN CB . 51340 1 448 . 1 . 1 45 45 GLN CG C 13 33.745 0.000 . 1 . . . . . 100 GLN CG . 51340 1 449 . 1 . 1 45 45 GLN CD C 13 180.330 0.001 . 1 . . . . . 100 GLN CD . 51340 1 450 . 1 . 1 45 45 GLN N N 15 120.657 0.000 . 1 . . . . . 100 GLN N . 51340 1 451 . 1 . 1 45 45 GLN NE2 N 15 112.046 0.012 . 1 . . . . . 100 GLN NE2 . 51340 1 452 . 1 . 1 46 46 ASP H H 1 8.623 0.001 . 1 . . . . . 101 ASP H . 51340 1 453 . 1 . 1 46 46 ASP HA H 1 4.483 0.000 . 1 . . . . . 101 ASP HA . 51340 1 454 . 1 . 1 46 46 ASP HB2 H 1 2.738 0.000 . 2 . . . . . 101 ASP HB2 . 51340 1 455 . 1 . 1 46 46 ASP HB3 H 1 2.776 0.000 . 2 . . . . . 101 ASP HB3 . 51340 1 456 . 1 . 1 46 46 ASP C C 13 178.129 0.000 . 1 . . . . . 101 ASP C . 51340 1 457 . 1 . 1 46 46 ASP CA C 13 57.039 0.000 . 1 . . . . . 101 ASP CA . 51340 1 458 . 1 . 1 46 46 ASP CB C 13 39.753 0.004 . 1 . . . . . 101 ASP CB . 51340 1 459 . 1 . 1 46 46 ASP N N 15 122.491 0.015 . 1 . . . . . 101 ASP N . 51340 1 460 . 1 . 1 47 47 HIS H H 1 8.258 0.000 . 1 . . . . . 102 HIS H . 51340 1 461 . 1 . 1 47 47 HIS HA H 1 4.425 0.000 . 1 . . . . . 102 HIS HA . 51340 1 462 . 1 . 1 47 47 HIS HB2 H 1 3.261 0.000 . 1 . . . . . 102 HIS HB2 . 51340 1 463 . 1 . 1 47 47 HIS HB3 H 1 3.261 0.000 . 1 . . . . . 102 HIS HB3 . 51340 1 464 . 1 . 1 47 47 HIS C C 13 177.471 0.015 . 1 . . . . . 102 HIS C . 51340 1 465 . 1 . 1 47 47 HIS CA C 13 59.109 0.000 . 1 . . . . . 102 HIS CA . 51340 1 466 . 1 . 1 47 47 HIS CB C 13 29.569 0.000 . 1 . . . . . 102 HIS CB . 51340 1 467 . 1 . 1 47 47 HIS N N 15 120.043 0.000 . 1 . . . . . 102 HIS N . 51340 1 468 . 1 . 1 48 48 ARG H H 1 8.048 0.000 . 1 . . . . . 103 ARG H . 51340 1 469 . 1 . 1 48 48 ARG HA H 1 3.956 0.000 . 1 . . . . . 103 ARG HA . 51340 1 470 . 1 . 1 48 48 ARG HB2 H 1 2.027 0.000 . 1 . . . . . 103 ARG HB2 . 51340 1 471 . 1 . 1 48 48 ARG HB3 H 1 2.027 0.000 . 1 . . . . . 103 ARG HB3 . 51340 1 472 . 1 . 1 48 48 ARG HG2 H 1 1.667 0.000 . 2 . . . . . 103 ARG HG2 . 51340 1 473 . 1 . 1 48 48 ARG HG3 H 1 1.878 0.000 . 2 . . . . . 103 ARG HG3 . 51340 1 474 . 1 . 1 48 48 ARG HD2 H 1 3.211 0.000 . 1 . . . . . 103 ARG HD2 . 51340 1 475 . 1 . 1 48 48 ARG HD3 H 1 3.211 0.000 . 1 . . . . . 103 ARG HD3 . 51340 1 476 . 1 . 1 48 48 ARG C C 13 179.243 0.000 . 1 . . . . . 103 ARG C . 51340 1 477 . 1 . 1 48 48 ARG CA C 13 59.626 0.000 . 1 . . . . . 103 ARG CA . 51340 1 478 . 1 . 1 48 48 ARG CB C 13 30.200 0.000 . 1 . . . . . 103 ARG CB . 51340 1 479 . 1 . 1 48 48 ARG CG C 13 27.592 0.000 . 1 . . . . . 103 ARG CG . 51340 1 480 . 1 . 1 48 48 ARG CD C 13 43.702 0.000 . 1 . . . . . 103 ARG CD . 51340 1 481 . 1 . 1 48 48 ARG N N 15 118.955 0.003 . 1 . . . . . 103 ARG N . 51340 1 482 . 1 . 1 49 49 ARG H H 1 8.338 0.000 . 1 . . . . . 104 ARG H . 51340 1 483 . 1 . 1 49 49 ARG HA H 1 4.162 0.000 . 1 . . . . . 104 ARG HA . 51340 1 484 . 1 . 1 49 49 ARG HB2 H 1 1.984 0.000 . 1 . . . . . 104 ARG HB2 . 51340 1 485 . 1 . 1 49 49 ARG HB3 H 1 1.984 0.000 . 1 . . . . . 104 ARG HB3 . 51340 1 486 . 1 . 1 49 49 ARG HG2 H 1 1.864 0.000 . 2 . . . . . 104 ARG HG2 . 51340 1 487 . 1 . 1 49 49 ARG HG3 H 1 1.448 0.000 . 2 . . . . . 104 ARG HG3 . 51340 1 488 . 1 . 1 49 49 ARG HD2 H 1 3.355 0.000 . 2 . . . . . 104 ARG HD2 . 51340 1 489 . 1 . 1 49 49 ARG HD3 H 1 3.020 0.000 . 2 . . . . . 104 ARG HD3 . 51340 1 490 . 1 . 1 49 49 ARG C C 13 177.571 0.000 . 1 . . . . . 104 ARG C . 51340 1 491 . 1 . 1 49 49 ARG CA C 13 57.844 0.000 . 1 . . . . . 104 ARG CA . 51340 1 492 . 1 . 1 49 49 ARG CB C 13 29.501 0.000 . 1 . . . . . 104 ARG CB . 51340 1 493 . 1 . 1 49 49 ARG CG C 13 26.657 0.001 . 1 . . . . . 104 ARG CG . 51340 1 494 . 1 . 1 49 49 ARG CD C 13 43.098 0.000 . 1 . . . . . 104 ARG CD . 51340 1 495 . 1 . 1 49 49 ARG N N 15 122.407 0.002 . 1 . . . . . 104 ARG N . 51340 1 496 . 1 . 1 50 50 ARG H H 1 8.602 0.000 . 1 . . . . . 105 ARG H . 51340 1 497 . 1 . 1 50 50 ARG HA H 1 3.723 0.000 . 1 . . . . . 105 ARG HA . 51340 1 498 . 1 . 1 50 50 ARG HB2 H 1 1.896 0.000 . 2 . . . . . 105 ARG HB2 . 51340 1 499 . 1 . 1 50 50 ARG HB3 H 1 2.024 0.000 . 2 . . . . . 105 ARG HB3 . 51340 1 500 . 1 . 1 50 50 ARG HG2 H 1 1.503 0.000 . 1 . . . . . 105 ARG HG2 . 51340 1 501 . 1 . 1 50 50 ARG HG3 H 1 1.503 0.000 . 1 . . . . . 105 ARG HG3 . 51340 1 502 . 1 . 1 50 50 ARG HD2 H 1 3.070 0.000 . 2 . . . . . 105 ARG HD2 . 51340 1 503 . 1 . 1 50 50 ARG HD3 H 1 2.986 0.000 . 2 . . . . . 105 ARG HD3 . 51340 1 504 . 1 . 1 50 50 ARG C C 13 177.869 0.000 . 1 . . . . . 105 ARG C . 51340 1 505 . 1 . 1 50 50 ARG CA C 13 60.453 0.000 . 1 . . . . . 105 ARG CA . 51340 1 506 . 1 . 1 50 50 ARG CB C 13 29.683 0.002 . 1 . . . . . 105 ARG CB . 51340 1 507 . 1 . 1 50 50 ARG CG C 13 27.431 0.000 . 1 . . . . . 105 ARG CG . 51340 1 508 . 1 . 1 50 50 ARG CD C 13 43.968 0.000 . 1 . . . . . 105 ARG CD . 51340 1 509 . 1 . 1 50 50 ARG N N 15 120.343 0.000 . 1 . . . . . 105 ARG N . 51340 1 510 . 1 . 1 51 51 LYS H H 1 7.877 0.000 . 1 . . . . . 106 LYS H . 51340 1 511 . 1 . 1 51 51 LYS HA H 1 3.993 0.000 . 1 . . . . . 106 LYS HA . 51340 1 512 . 1 . 1 51 51 LYS HB2 H 1 1.804 0.000 . 1 . . . . . 106 LYS HB2 . 51340 1 513 . 1 . 1 51 51 LYS HB3 H 1 1.804 0.000 . 1 . . . . . 106 LYS HB3 . 51340 1 514 . 1 . 1 51 51 LYS HG2 H 1 1.417 0.000 . 2 . . . . . 106 LYS HG2 . 51340 1 515 . 1 . 1 51 51 LYS HG3 H 1 1.329 0.000 . 2 . . . . . 106 LYS HG3 . 51340 1 516 . 1 . 1 51 51 LYS HD2 H 1 1.614 0.000 . 1 . . . . . 106 LYS HD2 . 51340 1 517 . 1 . 1 51 51 LYS HD3 H 1 1.614 0.000 . 1 . . . . . 106 LYS HD3 . 51340 1 518 . 1 . 1 51 51 LYS HE2 H 1 2.966 0.000 . 2 . . . . . 106 LYS HE2 . 51340 1 519 . 1 . 1 51 51 LYS HE3 H 1 2.867 0.000 . 2 . . . . . 106 LYS HE3 . 51340 1 520 . 1 . 1 51 51 LYS C C 13 178.923 0.000 . 1 . . . . . 106 LYS C . 51340 1 521 . 1 . 1 51 51 LYS CA C 13 58.773 0.000 . 1 . . . . . 106 LYS CA . 51340 1 522 . 1 . 1 51 51 LYS CB C 13 31.527 0.000 . 1 . . . . . 106 LYS CB . 51340 1 523 . 1 . 1 51 51 LYS CG C 13 24.515 0.001 . 1 . . . . . 106 LYS CG . 51340 1 524 . 1 . 1 51 51 LYS CD C 13 28.427 0.000 . 1 . . . . . 106 LYS CD . 51340 1 525 . 1 . 1 51 51 LYS CE C 13 41.916 0.002 . 1 . . . . . 106 LYS CE . 51340 1 526 . 1 . 1 51 51 LYS N N 15 117.220 0.001 . 1 . . . . . 106 LYS N . 51340 1 527 . 1 . 1 52 52 ALA H H 1 8.136 0.000 . 1 . . . . . 107 ALA H . 51340 1 528 . 1 . 1 52 52 ALA HA H 1 4.199 0.000 . 1 . . . . . 107 ALA HA . 51340 1 529 . 1 . 1 52 52 ALA HB1 H 1 1.569 0.000 . 1 . . . . . 107 ALA HB1 . 51340 1 530 . 1 . 1 52 52 ALA HB2 H 1 1.569 0.000 . 1 . . . . . 107 ALA HB2 . 51340 1 531 . 1 . 1 52 52 ALA HB3 H 1 1.569 0.000 . 1 . . . . . 107 ALA HB3 . 51340 1 532 . 1 . 1 52 52 ALA C C 13 181.952 0.000 . 1 . . . . . 107 ALA C . 51340 1 533 . 1 . 1 52 52 ALA CA C 13 55.389 0.000 . 1 . . . . . 107 ALA CA . 51340 1 534 . 1 . 1 52 52 ALA CB C 13 18.104 0.000 . 1 . . . . . 107 ALA CB . 51340 1 535 . 1 . 1 52 52 ALA N N 15 122.056 0.001 . 1 . . . . . 107 ALA N . 51340 1 536 . 1 . 1 53 53 LEU H H 1 8.421 0.000 . 1 . . . . . 108 LEU H . 51340 1 537 . 1 . 1 53 53 LEU HA H 1 4.089 0.000 . 1 . . . . . 108 LEU HA . 51340 1 538 . 1 . 1 53 53 LEU HB2 H 1 1.287 0.000 . 2 . . . . . 108 LEU HB2 . 51340 1 539 . 1 . 1 53 53 LEU HB3 H 1 2.125 0.000 . 2 . . . . . 108 LEU HB3 . 51340 1 540 . 1 . 1 53 53 LEU HG H 1 1.660 0.000 . 1 . . . . . 108 LEU HG . 51340 1 541 . 1 . 1 53 53 LEU HD11 H 1 0.865 0.000 . 2 . . . . . 108 LEU HD11 . 51340 1 542 . 1 . 1 53 53 LEU HD12 H 1 0.865 0.000 . 2 . . . . . 108 LEU HD12 . 51340 1 543 . 1 . 1 53 53 LEU HD13 H 1 0.865 0.000 . 2 . . . . . 108 LEU HD13 . 51340 1 544 . 1 . 1 53 53 LEU HD21 H 1 0.815 0.000 . 2 . . . . . 108 LEU HD21 . 51340 1 545 . 1 . 1 53 53 LEU HD22 H 1 0.815 0.000 . 2 . . . . . 108 LEU HD22 . 51340 1 546 . 1 . 1 53 53 LEU HD23 H 1 0.815 0.000 . 2 . . . . . 108 LEU HD23 . 51340 1 547 . 1 . 1 53 53 LEU C C 13 178.896 0.018 . 1 . . . . . 108 LEU C . 51340 1 548 . 1 . 1 53 53 LEU CA C 13 58.116 0.000 . 1 . . . . . 108 LEU CA . 51340 1 549 . 1 . 1 53 53 LEU CB C 13 43.873 0.001 . 1 . . . . . 108 LEU CB . 51340 1 550 . 1 . 1 53 53 LEU CG C 13 27.538 0.000 . 1 . . . . . 108 LEU CG . 51340 1 551 . 1 . 1 53 53 LEU CD1 C 13 22.566 0.000 . 2 . . . . . 108 LEU CD1 . 51340 1 552 . 1 . 1 53 53 LEU CD2 C 13 25.765 0.000 . 2 . . . . . 108 LEU CD2 . 51340 1 553 . 1 . 1 53 53 LEU N N 15 120.526 0.003 . 1 . . . . . 108 LEU N . 51340 1 554 . 1 . 1 54 54 GLU H H 1 8.763 0.000 . 1 . . . . . 109 GLU H . 51340 1 555 . 1 . 1 54 54 GLU HA H 1 3.912 0.000 . 1 . . . . . 109 GLU HA . 51340 1 556 . 1 . 1 54 54 GLU HB2 H 1 1.974 0.000 . 1 . . . . . 109 GLU HB2 . 51340 1 557 . 1 . 1 54 54 GLU HB3 H 1 1.974 0.000 . 1 . . . . . 109 GLU HB3 . 51340 1 558 . 1 . 1 54 54 GLU HG2 H 1 2.266 0.000 . 2 . . . . . 109 GLU HG2 . 51340 1 559 . 1 . 1 54 54 GLU HG3 H 1 2.586 0.000 . 2 . . . . . 109 GLU HG3 . 51340 1 560 . 1 . 1 54 54 GLU C C 13 180.199 0.000 . 1 . . . . . 109 GLU C . 51340 1 561 . 1 . 1 54 54 GLU CA C 13 59.968 0.000 . 1 . . . . . 109 GLU CA . 51340 1 562 . 1 . 1 54 54 GLU CB C 13 29.695 0.000 . 1 . . . . . 109 GLU CB . 51340 1 563 . 1 . 1 54 54 GLU CG C 13 37.652 0.007 . 1 . . . . . 109 GLU CG . 51340 1 564 . 1 . 1 54 54 GLU N N 15 120.572 0.012 . 1 . . . . . 109 GLU N . 51340 1 565 . 1 . 1 55 55 ASN H H 1 8.462 0.000 . 1 . . . . . 110 ASN H . 51340 1 566 . 1 . 1 55 55 ASN HA H 1 4.490 0.000 . 1 . . . . . 110 ASN HA . 51340 1 567 . 1 . 1 55 55 ASN HB2 H 1 2.818 0.000 . 2 . . . . . 110 ASN HB2 . 51340 1 568 . 1 . 1 55 55 ASN HB3 H 1 2.933 0.000 . 2 . . . . . 110 ASN HB3 . 51340 1 569 . 1 . 1 55 55 ASN HD21 H 1 7.633 0.001 . 1 . . . . . 110 ASN HD21 . 51340 1 570 . 1 . 1 55 55 ASN HD22 H 1 6.967 0.000 . 1 . . . . . 110 ASN HD22 . 51340 1 571 . 1 . 1 55 55 ASN C C 13 177.484 0.000 . 1 . . . . . 110 ASN C . 51340 1 572 . 1 . 1 55 55 ASN CA C 13 56.317 0.000 . 1 . . . . . 110 ASN CA . 51340 1 573 . 1 . 1 55 55 ASN CB C 13 38.264 0.002 . 1 . . . . . 110 ASN CB . 51340 1 574 . 1 . 1 55 55 ASN CG C 13 176.055 0.000 . 1 . . . . . 110 ASN CG . 51340 1 575 . 1 . 1 55 55 ASN N N 15 118.907 0.001 . 1 . . . . . 110 ASN N . 51340 1 576 . 1 . 1 55 55 ASN ND2 N 15 112.707 0.029 . 1 . . . . . 110 ASN ND2 . 51340 1 577 . 1 . 1 56 56 LYS H H 1 8.271 0.000 . 1 . . . . . 111 LYS H . 51340 1 578 . 1 . 1 56 56 LYS HA H 1 4.063 0.000 . 1 . . . . . 111 LYS HA . 51340 1 579 . 1 . 1 56 56 LYS HB2 H 1 1.951 0.000 . 1 . . . . . 111 LYS HB2 . 51340 1 580 . 1 . 1 56 56 LYS HB3 H 1 1.951 0.000 . 1 . . . . . 111 LYS HB3 . 51340 1 581 . 1 . 1 56 56 LYS HG2 H 1 1.246 0.000 . 2 . . . . . 111 LYS HG2 . 51340 1 582 . 1 . 1 56 56 LYS HG3 H 1 1.482 0.000 . 2 . . . . . 111 LYS HG3 . 51340 1 583 . 1 . 1 56 56 LYS HD2 H 1 1.547 0.000 . 1 . . . . . 111 LYS HD2 . 51340 1 584 . 1 . 1 56 56 LYS HD3 H 1 1.547 0.000 . 1 . . . . . 111 LYS HD3 . 51340 1 585 . 1 . 1 56 56 LYS HE2 H 1 2.947 0.000 . 1 . . . . . 111 LYS HE2 . 51340 1 586 . 1 . 1 56 56 LYS HE3 H 1 2.947 0.000 . 1 . . . . . 111 LYS HE3 . 51340 1 587 . 1 . 1 56 56 LYS C C 13 177.863 0.000 . 1 . . . . . 111 LYS C . 51340 1 588 . 1 . 1 56 56 LYS CA C 13 59.892 0.000 . 1 . . . . . 111 LYS CA . 51340 1 589 . 1 . 1 56 56 LYS CB C 13 33.150 0.000 . 1 . . . . . 111 LYS CB . 51340 1 590 . 1 . 1 56 56 LYS CG C 13 25.645 0.001 . 1 . . . . . 111 LYS CG . 51340 1 591 . 1 . 1 56 56 LYS CD C 13 30.259 0.000 . 1 . . . . . 111 LYS CD . 51340 1 592 . 1 . 1 56 56 LYS CE C 13 42.128 0.000 . 1 . . . . . 111 LYS CE . 51340 1 593 . 1 . 1 56 56 LYS N N 15 123.034 0.001 . 1 . . . . . 111 LYS N . 51340 1 594 . 1 . 1 57 57 LYS H H 1 8.727 0.000 . 1 . . . . . 112 LYS H . 51340 1 595 . 1 . 1 57 57 LYS HA H 1 3.758 0.000 . 1 . . . . . 112 LYS HA . 51340 1 596 . 1 . 1 57 57 LYS HB2 H 1 1.858 0.000 . 1 . . . . . 112 LYS HB2 . 51340 1 597 . 1 . 1 57 57 LYS HB3 H 1 1.858 0.000 . 1 . . . . . 112 LYS HB3 . 51340 1 598 . 1 . 1 57 57 LYS HG2 H 1 1.332 0.000 . 1 . . . . . 112 LYS HG2 . 51340 1 599 . 1 . 1 57 57 LYS HG3 H 1 1.332 0.000 . 1 . . . . . 112 LYS HG3 . 51340 1 600 . 1 . 1 57 57 LYS HD2 H 1 1.638 0.000 . 1 . . . . . 112 LYS HD2 . 51340 1 601 . 1 . 1 57 57 LYS HD3 H 1 1.638 0.000 . 1 . . . . . 112 LYS HD3 . 51340 1 602 . 1 . 1 57 57 LYS HE2 H 1 3.009 0.000 . 1 . . . . . 112 LYS HE2 . 51340 1 603 . 1 . 1 57 57 LYS HE3 H 1 3.009 0.000 . 1 . . . . . 112 LYS HE3 . 51340 1 604 . 1 . 1 57 57 LYS C C 13 179.158 0.000 . 1 . . . . . 112 LYS C . 51340 1 605 . 1 . 1 57 57 LYS CA C 13 60.566 0.000 . 1 . . . . . 112 LYS CA . 51340 1 606 . 1 . 1 57 57 LYS CB C 13 32.923 0.000 . 1 . . . . . 112 LYS CB . 51340 1 607 . 1 . 1 57 57 LYS CG C 13 24.894 0.000 . 1 . . . . . 112 LYS CG . 51340 1 608 . 1 . 1 57 57 LYS CD C 13 30.272 0.000 . 1 . . . . . 112 LYS CD . 51340 1 609 . 1 . 1 57 57 LYS CE C 13 42.106 0.000 . 1 . . . . . 112 LYS CE . 51340 1 610 . 1 . 1 57 57 LYS N N 15 119.970 0.001 . 1 . . . . . 112 LYS N . 51340 1 611 . 1 . 1 58 58 LYS H H 1 7.910 0.000 . 1 . . . . . 113 LYS H . 51340 1 612 . 1 . 1 58 58 LYS HA H 1 4.077 0.000 . 1 . . . . . 113 LYS HA . 51340 1 613 . 1 . 1 58 58 LYS HB2 H 1 2.002 0.000 . 1 . . . . . 113 LYS HB2 . 51340 1 614 . 1 . 1 58 58 LYS HB3 H 1 2.002 0.000 . 1 . . . . . 113 LYS HB3 . 51340 1 615 . 1 . 1 58 58 LYS HG2 H 1 1.462 0.000 . 2 . . . . . 113 LYS HG2 . 51340 1 616 . 1 . 1 58 58 LYS HG3 H 1 1.609 0.000 . 2 . . . . . 113 LYS HG3 . 51340 1 617 . 1 . 1 58 58 LYS HD2 H 1 1.726 0.000 . 1 . . . . . 113 LYS HD2 . 51340 1 618 . 1 . 1 58 58 LYS HD3 H 1 1.726 0.000 . 1 . . . . . 113 LYS HD3 . 51340 1 619 . 1 . 1 58 58 LYS HE2 H 1 2.994 0.000 . 1 . . . . . 113 LYS HE2 . 51340 1 620 . 1 . 1 58 58 LYS HE3 H 1 2.994 0.000 . 1 . . . . . 113 LYS HE3 . 51340 1 621 . 1 . 1 58 58 LYS C C 13 179.441 0.000 . 1 . . . . . 113 LYS C . 51340 1 622 . 1 . 1 58 58 LYS CA C 13 59.878 0.000 . 1 . . . . . 113 LYS CA . 51340 1 623 . 1 . 1 58 58 LYS CB C 13 32.571 0.000 . 1 . . . . . 113 LYS CB . 51340 1 624 . 1 . 1 58 58 LYS CG C 13 25.186 0.003 . 1 . . . . . 113 LYS CG . 51340 1 625 . 1 . 1 58 58 LYS CD C 13 29.467 0.000 . 1 . . . . . 113 LYS CD . 51340 1 626 . 1 . 1 58 58 LYS CE C 13 42.214 0.000 . 1 . . . . . 113 LYS CE . 51340 1 627 . 1 . 1 58 58 LYS N N 15 119.893 0.001 . 1 . . . . . 113 LYS N . 51340 1 628 . 1 . 1 59 59 GLN H H 1 8.132 0.000 . 1 . . . . . 114 GLN H . 51340 1 629 . 1 . 1 59 59 GLN HA H 1 4.082 0.000 . 1 . . . . . 114 GLN HA . 51340 1 630 . 1 . 1 59 59 GLN HB2 H 1 2.174 0.000 . 1 . . . . . 114 GLN HB2 . 51340 1 631 . 1 . 1 59 59 GLN HB3 H 1 2.174 0.000 . 1 . . . . . 114 GLN HB3 . 51340 1 632 . 1 . 1 59 59 GLN HG2 H 1 2.519 0.000 . 2 . . . . . 114 GLN HG2 . 51340 1 633 . 1 . 1 59 59 GLN HG3 H 1 2.369 0.000 . 2 . . . . . 114 GLN HG3 . 51340 1 634 . 1 . 1 59 59 GLN HE21 H 1 6.814 0.004 . 1 . . . . . 114 GLN HE21 . 51340 1 635 . 1 . 1 59 59 GLN HE22 H 1 7.388 0.001 . 1 . . . . . 114 GLN HE22 . 51340 1 636 . 1 . 1 59 59 GLN C C 13 179.642 0.000 . 1 . . . . . 114 GLN C . 51340 1 637 . 1 . 1 59 59 GLN CA C 13 58.977 0.000 . 1 . . . . . 114 GLN CA . 51340 1 638 . 1 . 1 59 59 GLN CB C 13 28.499 0.000 . 1 . . . . . 114 GLN CB . 51340 1 639 . 1 . 1 59 59 GLN CG C 13 33.726 0.005 . 1 . . . . . 114 GLN CG . 51340 1 640 . 1 . 1 59 59 GLN CD C 13 180.152 0.001 . 1 . . . . . 114 GLN CD . 51340 1 641 . 1 . 1 59 59 GLN N N 15 120.478 0.001 . 1 . . . . . 114 GLN N . 51340 1 642 . 1 . 1 59 59 GLN NE2 N 15 111.442 0.004 . 1 . . . . . 114 GLN NE2 . 51340 1 643 . 1 . 1 60 60 LEU H H 1 8.766 0.002 . 1 . . . . . 115 LEU H . 51340 1 644 . 1 . 1 60 60 LEU HA H 1 4.042 0.000 . 1 . . . . . 115 LEU HA . 51340 1 645 . 1 . 1 60 60 LEU HB2 H 1 1.667 0.000 . 2 . . . . . 115 LEU HB2 . 51340 1 646 . 1 . 1 60 60 LEU HB3 H 1 1.092 0.000 . 2 . . . . . 115 LEU HB3 . 51340 1 647 . 1 . 1 60 60 LEU HG H 1 1.799 0.000 . 1 . . . . . 115 LEU HG . 51340 1 648 . 1 . 1 60 60 LEU HD11 H 1 0.801 0.000 . 2 . . . . . 115 LEU HD11 . 51340 1 649 . 1 . 1 60 60 LEU HD12 H 1 0.801 0.000 . 2 . . . . . 115 LEU HD12 . 51340 1 650 . 1 . 1 60 60 LEU HD13 H 1 0.801 0.000 . 2 . . . . . 115 LEU HD13 . 51340 1 651 . 1 . 1 60 60 LEU HD21 H 1 0.755 0.000 . 2 . . . . . 115 LEU HD21 . 51340 1 652 . 1 . 1 60 60 LEU HD22 H 1 0.755 0.000 . 2 . . . . . 115 LEU HD22 . 51340 1 653 . 1 . 1 60 60 LEU HD23 H 1 0.755 0.000 . 2 . . . . . 115 LEU HD23 . 51340 1 654 . 1 . 1 60 60 LEU C C 13 180.401 0.000 . 1 . . . . . 115 LEU C . 51340 1 655 . 1 . 1 60 60 LEU CA C 13 57.763 0.000 . 1 . . . . . 115 LEU CA . 51340 1 656 . 1 . 1 60 60 LEU CB C 13 41.071 0.001 . 1 . . . . . 115 LEU CB . 51340 1 657 . 1 . 1 60 60 LEU CG C 13 27.088 0.000 . 1 . . . . . 115 LEU CG . 51340 1 658 . 1 . 1 60 60 LEU CD1 C 13 22.615 0.000 . 2 . . . . . 115 LEU CD1 . 51340 1 659 . 1 . 1 60 60 LEU CD2 C 13 26.216 0.000 . 2 . . . . . 115 LEU CD2 . 51340 1 660 . 1 . 1 60 60 LEU N N 15 120.527 0.003 . 1 . . . . . 115 LEU N . 51340 1 661 . 1 . 1 61 61 SER H H 1 8.415 0.000 . 1 . . . . . 116 SER H . 51340 1 662 . 1 . 1 61 61 SER HA H 1 4.446 0.000 . 1 . . . . . 116 SER HA . 51340 1 663 . 1 . 1 61 61 SER HB2 H 1 4.078 0.000 . 1 . . . . . 116 SER HB2 . 51340 1 664 . 1 . 1 61 61 SER HB3 H 1 4.078 0.000 . 1 . . . . . 116 SER HB3 . 51340 1 665 . 1 . 1 61 61 SER C C 13 178.009 0.001 . 1 . . . . . 116 SER C . 51340 1 666 . 1 . 1 61 61 SER CA C 13 61.687 0.000 . 1 . . . . . 116 SER CA . 51340 1 667 . 1 . 1 61 61 SER CB C 13 62.702 0.000 . 1 . . . . . 116 SER CB . 51340 1 668 . 1 . 1 61 61 SER N N 15 116.477 0.000 . 1 . . . . . 116 SER N . 51340 1 669 . 1 . 1 62 62 ALA H H 1 7.541 0.000 . 1 . . . . . 117 ALA H . 51340 1 670 . 1 . 1 62 62 ALA HA H 1 4.279 0.000 . 1 . . . . . 117 ALA HA . 51340 1 671 . 1 . 1 62 62 ALA HB1 H 1 1.545 0.000 . 1 . . . . . 117 ALA HB1 . 51340 1 672 . 1 . 1 62 62 ALA HB2 H 1 1.545 0.000 . 1 . . . . . 117 ALA HB2 . 51340 1 673 . 1 . 1 62 62 ALA HB3 H 1 1.545 0.000 . 1 . . . . . 117 ALA HB3 . 51340 1 674 . 1 . 1 62 62 ALA C C 13 178.430 0.000 . 1 . . . . . 117 ALA C . 51340 1 675 . 1 . 1 62 62 ALA CA C 13 54.664 0.000 . 1 . . . . . 117 ALA CA . 51340 1 676 . 1 . 1 62 62 ALA CB C 13 18.039 0.000 . 1 . . . . . 117 ALA CB . 51340 1 677 . 1 . 1 62 62 ALA N N 15 125.007 0.001 . 1 . . . . . 117 ALA N . 51340 1 678 . 1 . 1 63 63 GLY H H 1 7.541 0.000 . 1 . . . . . 118 GLY H . 51340 1 679 . 1 . 1 63 63 GLY HA2 H 1 4.549 0.000 . 2 . . . . . 118 GLY HA2 . 51340 1 680 . 1 . 1 63 63 GLY HA3 H 1 3.736 0.000 . 2 . . . . . 118 GLY HA3 . 51340 1 681 . 1 . 1 63 63 GLY C C 13 175.052 0.000 . 1 . . . . . 118 GLY C . 51340 1 682 . 1 . 1 63 63 GLY CA C 13 44.740 0.000 . 1 . . . . . 118 GLY CA . 51340 1 683 . 1 . 1 63 63 GLY N N 15 104.202 0.000 . 1 . . . . . 118 GLY N . 51340 1 684 . 1 . 1 64 64 GLY H H 1 7.908 0.000 . 1 . . . . . 119 GLY H . 51340 1 685 . 1 . 1 64 64 GLY HA2 H 1 3.930 0.000 . 2 . . . . . 119 GLY HA2 . 51340 1 686 . 1 . 1 64 64 GLY HA3 H 1 4.077 0.000 . 2 . . . . . 119 GLY HA3 . 51340 1 687 . 1 . 1 64 64 GLY C C 13 174.169 0.001 . 1 . . . . . 119 GLY C . 51340 1 688 . 1 . 1 64 64 GLY CA C 13 46.159 0.002 . 1 . . . . . 119 GLY CA . 51340 1 689 . 1 . 1 64 64 GLY N N 15 108.286 0.001 . 1 . . . . . 119 GLY N . 51340 1 690 . 1 . 1 65 65 LYS H H 1 7.874 0.000 . 1 . . . . . 120 LYS H . 51340 1 691 . 1 . 1 65 65 LYS HA H 1 4.597 0.000 . 1 . . . . . 120 LYS HA . 51340 1 692 . 1 . 1 65 65 LYS HB2 H 1 1.948 0.000 . 2 . . . . . 120 LYS HB2 . 51340 1 693 . 1 . 1 65 65 LYS HB3 H 1 1.606 0.000 . 2 . . . . . 120 LYS HB3 . 51340 1 694 . 1 . 1 65 65 LYS HG2 H 1 1.378 0.000 . 1 . . . . . 120 LYS HG2 . 51340 1 695 . 1 . 1 65 65 LYS HG3 H 1 1.378 0.000 . 1 . . . . . 120 LYS HG3 . 51340 1 696 . 1 . 1 65 65 LYS HD2 H 1 1.620 0.000 . 2 . . . . . 120 LYS HD2 . 51340 1 697 . 1 . 1 65 65 LYS HD3 H 1 1.705 0.000 . 2 . . . . . 120 LYS HD3 . 51340 1 698 . 1 . 1 65 65 LYS HE2 H 1 3.140 0.000 . 1 . . . . . 120 LYS HE2 . 51340 1 699 . 1 . 1 65 65 LYS HE3 H 1 3.140 0.000 . 1 . . . . . 120 LYS HE3 . 51340 1 700 . 1 . 1 65 65 LYS C C 13 174.453 0.030 . 1 . . . . . 120 LYS C . 51340 1 701 . 1 . 1 65 65 LYS CA C 13 54.577 0.000 . 1 . . . . . 120 LYS CA . 51340 1 702 . 1 . 1 65 65 LYS CB C 13 35.660 0.010 . 1 . . . . . 120 LYS CB . 51340 1 703 . 1 . 1 65 65 LYS CG C 13 25.288 0.000 . 1 . . . . . 120 LYS CG . 51340 1 704 . 1 . 1 65 65 LYS CD C 13 28.968 0.005 . 1 . . . . . 120 LYS CD . 51340 1 705 . 1 . 1 65 65 LYS CE C 13 41.529 0.000 . 1 . . . . . 120 LYS CE . 51340 1 706 . 1 . 1 65 65 LYS N N 15 119.465 0.001 . 1 . . . . . 120 LYS N . 51340 1 707 . 1 . 1 66 66 ASN H H 1 8.255 0.002 . 1 . . . . . 121 ASN H . 51340 1 708 . 1 . 1 66 66 ASN HA H 1 4.955 0.000 . 1 . . . . . 121 ASN HA . 51340 1 709 . 1 . 1 66 66 ASN HB2 H 1 2.939 0.000 . 2 . . . . . 121 ASN HB2 . 51340 1 710 . 1 . 1 66 66 ASN HB3 H 1 2.544 0.000 . 2 . . . . . 121 ASN HB3 . 51340 1 711 . 1 . 1 66 66 ASN HD21 H 1 7.538 0.001 . 1 . . . . . 121 ASN HD21 . 51340 1 712 . 1 . 1 66 66 ASN HD22 H 1 6.880 0.003 . 1 . . . . . 121 ASN HD22 . 51340 1 713 . 1 . 1 66 66 ASN C C 13 175.223 0.000 . 1 . . . . . 121 ASN C . 51340 1 714 . 1 . 1 66 66 ASN CA C 13 52.073 0.000 . 1 . . . . . 121 ASN CA . 51340 1 715 . 1 . 1 66 66 ASN CB C 13 42.590 0.002 . 1 . . . . . 121 ASN CB . 51340 1 716 . 1 . 1 66 66 ASN CG C 13 177.387 0.002 . 1 . . . . . 121 ASN CG . 51340 1 717 . 1 . 1 66 66 ASN N N 15 117.137 0.003 . 1 . . . . . 121 ASN N . 51340 1 718 . 1 . 1 66 66 ASN ND2 N 15 113.780 0.009 . 1 . . . . . 121 ASN ND2 . 51340 1 719 . 1 . 1 67 67 LEU H H 1 8.849 0.000 . 1 . . . . . 122 LEU H . 51340 1 720 . 1 . 1 67 67 LEU HA H 1 4.224 0.000 . 1 . . . . . 122 LEU HA . 51340 1 721 . 1 . 1 67 67 LEU HB2 H 1 1.732 0.000 . 1 . . . . . 122 LEU HB2 . 51340 1 722 . 1 . 1 67 67 LEU HB3 H 1 1.732 0.000 . 1 . . . . . 122 LEU HB3 . 51340 1 723 . 1 . 1 67 67 LEU HG H 1 1.725 0.000 . 1 . . . . . 122 LEU HG . 51340 1 724 . 1 . 1 67 67 LEU HD11 H 1 0.880 0.000 . 2 . . . . . 122 LEU HD11 . 51340 1 725 . 1 . 1 67 67 LEU HD12 H 1 0.880 0.000 . 2 . . . . . 122 LEU HD12 . 51340 1 726 . 1 . 1 67 67 LEU HD13 H 1 0.880 0.000 . 2 . . . . . 122 LEU HD13 . 51340 1 727 . 1 . 1 67 67 LEU HD21 H 1 0.863 0.001 . 2 . . . . . 122 LEU HD21 . 51340 1 728 . 1 . 1 67 67 LEU HD22 H 1 0.863 0.001 . 2 . . . . . 122 LEU HD22 . 51340 1 729 . 1 . 1 67 67 LEU HD23 H 1 0.863 0.001 . 2 . . . . . 122 LEU HD23 . 51340 1 730 . 1 . 1 67 67 LEU C C 13 178.072 0.000 . 1 . . . . . 122 LEU C . 51340 1 731 . 1 . 1 67 67 LEU CA C 13 55.042 0.018 . 1 . . . . . 122 LEU CA . 51340 1 732 . 1 . 1 67 67 LEU CB C 13 43.327 0.000 . 1 . . . . . 122 LEU CB . 51340 1 733 . 1 . 1 67 67 LEU CG C 13 26.813 0.000 . 1 . . . . . 122 LEU CG . 51340 1 734 . 1 . 1 67 67 LEU CD1 C 13 22.191 0.030 . 2 . . . . . 122 LEU CD1 . 51340 1 735 . 1 . 1 67 67 LEU CD2 C 13 26.384 0.022 . 2 . . . . . 122 LEU CD2 . 51340 1 736 . 1 . 1 67 67 LEU N N 15 119.147 0.001 . 1 . . . . . 122 LEU N . 51340 1 737 . 1 . 1 68 68 SER H H 1 9.089 0.000 . 1 . . . . . 123 SER H . 51340 1 738 . 1 . 1 68 68 SER HA H 1 4.392 0.000 . 1 . . . . . 123 SER HA . 51340 1 739 . 1 . 1 68 68 SER HB2 H 1 4.104 0.000 . 2 . . . . . 123 SER HB2 . 51340 1 740 . 1 . 1 68 68 SER HB3 H 1 4.388 0.000 . 2 . . . . . 123 SER HB3 . 51340 1 741 . 1 . 1 68 68 SER C C 13 174.352 0.000 . 1 . . . . . 123 SER C . 51340 1 742 . 1 . 1 68 68 SER CA C 13 58.071 0.000 . 1 . . . . . 123 SER CA . 51340 1 743 . 1 . 1 68 68 SER CB C 13 64.871 0.003 . 1 . . . . . 123 SER CB . 51340 1 744 . 1 . 1 68 68 SER N N 15 118.450 0.006 . 1 . . . . . 123 SER N . 51340 1 745 . 1 . 1 69 69 LYS H H 1 8.935 0.000 . 1 . . . . . 124 LYS H . 51340 1 746 . 1 . 1 69 69 LYS HA H 1 4.067 0.000 . 1 . . . . . 124 LYS HA . 51340 1 747 . 1 . 1 69 69 LYS HB2 H 1 1.800 0.000 . 2 . . . . . 124 LYS HB2 . 51340 1 748 . 1 . 1 69 69 LYS HB3 H 1 1.933 0.000 . 2 . . . . . 124 LYS HB3 . 51340 1 749 . 1 . 1 69 69 LYS HG2 H 1 1.521 0.000 . 1 . . . . . 124 LYS HG2 . 51340 1 750 . 1 . 1 69 69 LYS HG3 H 1 1.521 0.000 . 1 . . . . . 124 LYS HG3 . 51340 1 751 . 1 . 1 69 69 LYS HD2 H 1 1.695 0.000 . 1 . . . . . 124 LYS HD2 . 51340 1 752 . 1 . 1 69 69 LYS HD3 H 1 1.695 0.000 . 1 . . . . . 124 LYS HD3 . 51340 1 753 . 1 . 1 69 69 LYS HE2 H 1 3.004 0.015 . 2 . . . . . 124 LYS HE2 . 51340 1 754 . 1 . 1 69 69 LYS HE3 H 1 2.954 0.000 . 2 . . . . . 124 LYS HE3 . 51340 1 755 . 1 . 1 69 69 LYS C C 13 179.356 0.000 . 1 . . . . . 124 LYS C . 51340 1 756 . 1 . 1 69 69 LYS CA C 13 59.837 0.000 . 1 . . . . . 124 LYS CA . 51340 1 757 . 1 . 1 69 69 LYS CB C 13 32.164 0.045 . 1 . . . . . 124 LYS CB . 51340 1 758 . 1 . 1 69 69 LYS CG C 13 24.682 0.000 . 1 . . . . . 124 LYS CG . 51340 1 759 . 1 . 1 69 69 LYS CD C 13 29.211 0.000 . 1 . . . . . 124 LYS CD . 51340 1 760 . 1 . 1 69 69 LYS CE C 13 42.124 0.031 . 1 . . . . . 124 LYS CE . 51340 1 761 . 1 . 1 69 69 LYS N N 15 122.335 0.001 . 1 . . . . . 124 LYS N . 51340 1 762 . 1 . 1 70 70 GLU H H 1 8.970 0.000 . 1 . . . . . 125 GLU H . 51340 1 763 . 1 . 1 70 70 GLU HA H 1 4.076 0.000 . 1 . . . . . 125 GLU HA . 51340 1 764 . 1 . 1 70 70 GLU HB2 H 1 2.064 0.000 . 2 . . . . . 125 GLU HB2 . 51340 1 765 . 1 . 1 70 70 GLU HB3 H 1 1.972 0.000 . 2 . . . . . 125 GLU HB3 . 51340 1 766 . 1 . 1 70 70 GLU HG2 H 1 2.491 0.000 . 2 . . . . . 125 GLU HG2 . 51340 1 767 . 1 . 1 70 70 GLU HG3 H 1 2.292 0.000 . 2 . . . . . 125 GLU HG3 . 51340 1 768 . 1 . 1 70 70 GLU C C 13 180.214 0.000 . 1 . . . . . 125 GLU C . 51340 1 769 . 1 . 1 70 70 GLU CA C 13 60.543 0.000 . 1 . . . . . 125 GLU CA . 51340 1 770 . 1 . 1 70 70 GLU CB C 13 28.839 0.000 . 1 . . . . . 125 GLU CB . 51340 1 771 . 1 . 1 70 70 GLU CG C 13 37.173 0.001 . 1 . . . . . 125 GLU CG . 51340 1 772 . 1 . 1 70 70 GLU N N 15 117.676 0.000 . 1 . . . . . 125 GLU N . 51340 1 773 . 1 . 1 71 71 GLU H H 1 7.855 0.000 . 1 . . . . . 126 GLU H . 51340 1 774 . 1 . 1 71 71 GLU HA H 1 4.150 0.000 . 1 . . . . . 126 GLU HA . 51340 1 775 . 1 . 1 71 71 GLU HB2 H 1 1.728 0.000 . 1 . . . . . 126 GLU HB2 . 51340 1 776 . 1 . 1 71 71 GLU HB3 H 1 1.728 0.000 . 1 . . . . . 126 GLU HB3 . 51340 1 777 . 1 . 1 71 71 GLU HG2 H 1 2.422 0.000 . 2 . . . . . 126 GLU HG2 . 51340 1 778 . 1 . 1 71 71 GLU HG3 H 1 2.114 0.000 . 2 . . . . . 126 GLU HG3 . 51340 1 779 . 1 . 1 71 71 GLU C C 13 177.951 0.001 . 1 . . . . . 126 GLU C . 51340 1 780 . 1 . 1 71 71 GLU CA C 13 59.469 0.000 . 1 . . . . . 126 GLU CA . 51340 1 781 . 1 . 1 71 71 GLU CB C 13 30.850 0.000 . 1 . . . . . 126 GLU CB . 51340 1 782 . 1 . 1 71 71 GLU CG C 13 38.435 0.000 . 1 . . . . . 126 GLU CG . 51340 1 783 . 1 . 1 71 71 GLU N N 15 121.542 0.001 . 1 . . . . . 126 GLU N . 51340 1 784 . 1 . 1 72 72 GLU H H 1 8.948 0.000 . 1 . . . . . 127 GLU H . 51340 1 785 . 1 . 1 72 72 GLU HA H 1 3.905 0.000 . 1 . . . . . 127 GLU HA . 51340 1 786 . 1 . 1 72 72 GLU HB2 H 1 2.126 0.000 . 1 . . . . . 127 GLU HB2 . 51340 1 787 . 1 . 1 72 72 GLU HB3 H 1 2.126 0.000 . 1 . . . . . 127 GLU HB3 . 51340 1 788 . 1 . 1 72 72 GLU HG2 H 1 2.245 0.000 . 2 . . . . . 127 GLU HG2 . 51340 1 789 . 1 . 1 72 72 GLU HG3 H 1 2.221 0.000 . 2 . . . . . 127 GLU HG3 . 51340 1 790 . 1 . 1 72 72 GLU C C 13 179.724 0.001 . 1 . . . . . 127 GLU C . 51340 1 791 . 1 . 1 72 72 GLU CA C 13 59.641 0.000 . 1 . . . . . 127 GLU CA . 51340 1 792 . 1 . 1 72 72 GLU CB C 13 29.699 0.000 . 1 . . . . . 127 GLU CB . 51340 1 793 . 1 . 1 72 72 GLU CG C 13 35.905 0.004 . 1 . . . . . 127 GLU CG . 51340 1 794 . 1 . 1 72 72 GLU N N 15 121.512 0.002 . 1 . . . . . 127 GLU N . 51340 1 795 . 1 . 1 73 73 GLU H H 1 8.121 0.000 . 1 . . . . . 128 GLU H . 51340 1 796 . 1 . 1 73 73 GLU HA H 1 4.140 0.000 . 1 . . . . . 128 GLU HA . 51340 1 797 . 1 . 1 73 73 GLU HB2 H 1 2.012 0.000 . 2 . . . . . 128 GLU HB2 . 51340 1 798 . 1 . 1 73 73 GLU HB3 H 1 2.147 0.000 . 2 . . . . . 128 GLU HB3 . 51340 1 799 . 1 . 1 73 73 GLU HG2 H 1 2.405 0.000 . 2 . . . . . 128 GLU HG2 . 51340 1 800 . 1 . 1 73 73 GLU HG3 H 1 2.352 0.000 . 2 . . . . . 128 GLU HG3 . 51340 1 801 . 1 . 1 73 73 GLU C C 13 178.477 0.000 . 1 . . . . . 128 GLU C . 51340 1 802 . 1 . 1 73 73 GLU CA C 13 59.059 0.000 . 1 . . . . . 128 GLU CA . 51340 1 803 . 1 . 1 73 73 GLU CB C 13 29.089 0.000 . 1 . . . . . 128 GLU CB . 51340 1 804 . 1 . 1 73 73 GLU CG C 13 36.077 0.001 . 1 . . . . . 128 GLU CG . 51340 1 805 . 1 . 1 73 73 GLU N N 15 119.724 0.002 . 1 . . . . . 128 GLU N . 51340 1 806 . 1 . 1 74 74 GLU H H 1 8.008 0.000 . 1 . . . . . 129 GLU H . 51340 1 807 . 1 . 1 74 74 GLU HA H 1 3.949 0.000 . 1 . . . . . 129 GLU HA . 51340 1 808 . 1 . 1 74 74 GLU HB2 H 1 2.205 0.000 . 1 . . . . . 129 GLU HB2 . 51340 1 809 . 1 . 1 74 74 GLU HB3 H 1 2.205 0.000 . 1 . . . . . 129 GLU HB3 . 51340 1 810 . 1 . 1 74 74 GLU HG2 H 1 2.318 0.000 . 2 . . . . . 129 GLU HG2 . 51340 1 811 . 1 . 1 74 74 GLU HG3 H 1 2.036 0.000 . 2 . . . . . 129 GLU HG3 . 51340 1 812 . 1 . 1 74 74 GLU C C 13 178.223 0.000 . 1 . . . . . 129 GLU C . 51340 1 813 . 1 . 1 74 74 GLU CA C 13 59.464 0.000 . 1 . . . . . 129 GLU CA . 51340 1 814 . 1 . 1 74 74 GLU CB C 13 29.507 0.000 . 1 . . . . . 129 GLU CB . 51340 1 815 . 1 . 1 74 74 GLU CG C 13 35.325 0.001 . 1 . . . . . 129 GLU CG . 51340 1 816 . 1 . 1 74 74 GLU N N 15 122.617 0.000 . 1 . . . . . 129 GLU N . 51340 1 817 . 1 . 1 75 75 LEU H H 1 8.654 0.000 . 1 . . . . . 130 LEU H . 51340 1 818 . 1 . 1 75 75 LEU HA H 1 4.054 0.000 . 1 . . . . . 130 LEU HA . 51340 1 819 . 1 . 1 75 75 LEU HB2 H 1 2.091 0.000 . 2 . . . . . 130 LEU HB2 . 51340 1 820 . 1 . 1 75 75 LEU HB3 H 1 1.490 0.000 . 2 . . . . . 130 LEU HB3 . 51340 1 821 . 1 . 1 75 75 LEU HG H 1 1.587 0.000 . 1 . . . . . 130 LEU HG . 51340 1 822 . 1 . 1 75 75 LEU HD11 H 1 1.076 0.000 . 2 . . . . . 130 LEU HD11 . 51340 1 823 . 1 . 1 75 75 LEU HD12 H 1 1.076 0.000 . 2 . . . . . 130 LEU HD12 . 51340 1 824 . 1 . 1 75 75 LEU HD13 H 1 1.076 0.000 . 2 . . . . . 130 LEU HD13 . 51340 1 825 . 1 . 1 75 75 LEU HD21 H 1 0.861 0.000 . 2 . . . . . 130 LEU HD21 . 51340 1 826 . 1 . 1 75 75 LEU HD22 H 1 0.861 0.000 . 2 . . . . . 130 LEU HD22 . 51340 1 827 . 1 . 1 75 75 LEU HD23 H 1 0.861 0.000 . 2 . . . . . 130 LEU HD23 . 51340 1 828 . 1 . 1 75 75 LEU C C 13 179.609 0.000 . 1 . . . . . 130 LEU C . 51340 1 829 . 1 . 1 75 75 LEU CA C 13 58.136 0.000 . 1 . . . . . 130 LEU CA . 51340 1 830 . 1 . 1 75 75 LEU CB C 13 40.947 0.001 . 1 . . . . . 130 LEU CB . 51340 1 831 . 1 . 1 75 75 LEU CG C 13 27.215 0.000 . 1 . . . . . 130 LEU CG . 51340 1 832 . 1 . 1 75 75 LEU CD1 C 13 23.462 0.000 . 2 . . . . . 130 LEU CD1 . 51340 1 833 . 1 . 1 75 75 LEU CD2 C 13 26.077 0.000 . 2 . . . . . 130 LEU CD2 . 51340 1 834 . 1 . 1 75 75 LEU N N 15 119.243 0.000 . 1 . . . . . 130 LEU N . 51340 1 835 . 1 . 1 76 76 ARG H H 1 8.417 0.000 . 1 . . . . . 131 ARG H . 51340 1 836 . 1 . 1 76 76 ARG HA H 1 4.000 0.000 . 1 . . . . . 131 ARG HA . 51340 1 837 . 1 . 1 76 76 ARG HB2 H 1 1.987 0.000 . 1 . . . . . 131 ARG HB2 . 51340 1 838 . 1 . 1 76 76 ARG HB3 H 1 1.987 0.000 . 1 . . . . . 131 ARG HB3 . 51340 1 839 . 1 . 1 76 76 ARG HG2 H 1 1.575 0.000 . 1 . . . . . 131 ARG HG2 . 51340 1 840 . 1 . 1 76 76 ARG HG3 H 1 1.575 0.000 . 1 . . . . . 131 ARG HG3 . 51340 1 841 . 1 . 1 76 76 ARG HD2 H 1 3.268 0.000 . 2 . . . . . 131 ARG HD2 . 51340 1 842 . 1 . 1 76 76 ARG HD3 H 1 3.165 0.000 . 2 . . . . . 131 ARG HD3 . 51340 1 843 . 1 . 1 76 76 ARG C C 13 178.706 0.000 . 1 . . . . . 131 ARG C . 51340 1 844 . 1 . 1 76 76 ARG CA C 13 60.074 0.000 . 1 . . . . . 131 ARG CA . 51340 1 845 . 1 . 1 76 76 ARG CB C 13 29.504 0.000 . 1 . . . . . 131 ARG CB . 51340 1 846 . 1 . 1 76 76 ARG CG C 13 26.897 0.000 . 1 . . . . . 131 ARG CG . 51340 1 847 . 1 . 1 76 76 ARG CD C 13 43.252 0.004 . 1 . . . . . 131 ARG CD . 51340 1 848 . 1 . 1 76 76 ARG N N 15 122.902 0.001 . 1 . . . . . 131 ARG N . 51340 1 849 . 1 . 1 77 77 ARG H H 1 8.234 0.000 . 1 . . . . . 132 ARG H . 51340 1 850 . 1 . 1 77 77 ARG HA H 1 4.085 0.000 . 1 . . . . . 132 ARG HA . 51340 1 851 . 1 . 1 77 77 ARG HB2 H 1 1.979 0.000 . 1 . . . . . 132 ARG HB2 . 51340 1 852 . 1 . 1 77 77 ARG HB3 H 1 1.979 0.000 . 1 . . . . . 132 ARG HB3 . 51340 1 853 . 1 . 1 77 77 ARG HG2 H 1 1.593 0.000 . 2 . . . . . 132 ARG HG2 . 51340 1 854 . 1 . 1 77 77 ARG HG3 H 1 1.759 0.000 . 2 . . . . . 132 ARG HG3 . 51340 1 855 . 1 . 1 77 77 ARG HD2 H 1 3.242 0.000 . 1 . . . . . 132 ARG HD2 . 51340 1 856 . 1 . 1 77 77 ARG HD3 H 1 3.242 0.000 . 1 . . . . . 132 ARG HD3 . 51340 1 857 . 1 . 1 77 77 ARG C C 13 179.386 0.000 . 1 . . . . . 132 ARG C . 51340 1 858 . 1 . 1 77 77 ARG CA C 13 59.840 0.000 . 1 . . . . . 132 ARG CA . 51340 1 859 . 1 . 1 77 77 ARG CB C 13 30.013 0.000 . 1 . . . . . 132 ARG CB . 51340 1 860 . 1 . 1 77 77 ARG CG C 13 27.594 0.015 . 1 . . . . . 132 ARG CG . 51340 1 861 . 1 . 1 77 77 ARG CD C 13 43.450 0.000 . 1 . . . . . 132 ARG CD . 51340 1 862 . 1 . 1 77 77 ARG N N 15 120.341 0.001 . 1 . . . . . 132 ARG N . 51340 1 863 . 1 . 1 78 78 LEU H H 1 8.600 0.000 . 1 . . . . . 133 LEU H . 51340 1 864 . 1 . 1 78 78 LEU HA H 1 4.073 0.000 . 1 . . . . . 133 LEU HA . 51340 1 865 . 1 . 1 78 78 LEU HB2 H 1 1.432 0.004 . 2 . . . . . 133 LEU HB2 . 51340 1 866 . 1 . 1 78 78 LEU HB3 H 1 1.907 0.000 . 2 . . . . . 133 LEU HB3 . 51340 1 867 . 1 . 1 78 78 LEU HG H 1 1.440 0.000 . 1 . . . . . 133 LEU HG . 51340 1 868 . 1 . 1 78 78 LEU HD11 H 1 0.862 0.000 . 2 . . . . . 133 LEU HD11 . 51340 1 869 . 1 . 1 78 78 LEU HD12 H 1 0.862 0.000 . 2 . . . . . 133 LEU HD12 . 51340 1 870 . 1 . 1 78 78 LEU HD13 H 1 0.862 0.000 . 2 . . . . . 133 LEU HD13 . 51340 1 871 . 1 . 1 78 78 LEU HD21 H 1 0.931 0.000 . 2 . . . . . 133 LEU HD21 . 51340 1 872 . 1 . 1 78 78 LEU HD22 H 1 0.931 0.000 . 2 . . . . . 133 LEU HD22 . 51340 1 873 . 1 . 1 78 78 LEU HD23 H 1 0.931 0.000 . 2 . . . . . 133 LEU HD23 . 51340 1 874 . 1 . 1 78 78 LEU C C 13 180.124 0.000 . 1 . . . . . 133 LEU C . 51340 1 875 . 1 . 1 78 78 LEU CA C 13 57.875 0.000 . 1 . . . . . 133 LEU CA . 51340 1 876 . 1 . 1 78 78 LEU CB C 13 42.743 0.002 . 1 . . . . . 133 LEU CB . 51340 1 877 . 1 . 1 78 78 LEU CG C 13 26.659 0.000 . 1 . . . . . 133 LEU CG . 51340 1 878 . 1 . 1 78 78 LEU CD1 C 13 23.750 0.000 . 2 . . . . . 133 LEU CD1 . 51340 1 879 . 1 . 1 78 78 LEU CD2 C 13 22.359 0.008 . 2 . . . . . 133 LEU CD2 . 51340 1 880 . 1 . 1 78 78 LEU N N 15 118.793 0.001 . 1 . . . . . 133 LEU N . 51340 1 881 . 1 . 1 79 79 THR H H 1 8.383 0.000 . 1 . . . . . 134 THR H . 51340 1 882 . 1 . 1 79 79 THR HA H 1 3.873 0.000 . 1 . . . . . 134 THR HA . 51340 1 883 . 1 . 1 79 79 THR HB H 1 4.378 0.000 . 1 . . . . . 134 THR HB . 51340 1 884 . 1 . 1 79 79 THR HG21 H 1 1.229 0.000 . 1 . . . . . 134 THR HG21 . 51340 1 885 . 1 . 1 79 79 THR HG22 H 1 1.229 0.000 . 1 . . . . . 134 THR HG22 . 51340 1 886 . 1 . 1 79 79 THR HG23 H 1 1.229 0.000 . 1 . . . . . 134 THR HG23 . 51340 1 887 . 1 . 1 79 79 THR C C 13 175.942 0.001 . 1 . . . . . 134 THR C . 51340 1 888 . 1 . 1 79 79 THR CA C 13 67.244 0.000 . 1 . . . . . 134 THR CA . 51340 1 889 . 1 . 1 79 79 THR CB C 13 68.859 0.000 . 1 . . . . . 134 THR CB . 51340 1 890 . 1 . 1 79 79 THR CG2 C 13 20.733 0.000 . 1 . . . . . 134 THR CG2 . 51340 1 891 . 1 . 1 79 79 THR N N 15 116.968 0.001 . 1 . . . . . 134 THR N . 51340 1 892 . 1 . 1 80 80 GLU H H 1 8.265 0.000 . 1 . . . . . 135 GLU H . 51340 1 893 . 1 . 1 80 80 GLU HA H 1 4.084 0.000 . 1 . . . . . 135 GLU HA . 51340 1 894 . 1 . 1 80 80 GLU HB2 H 1 2.152 0.000 . 1 . . . . . 135 GLU HB2 . 51340 1 895 . 1 . 1 80 80 GLU HB3 H 1 2.152 0.000 . 1 . . . . . 135 GLU HB3 . 51340 1 896 . 1 . 1 80 80 GLU HG2 H 1 2.278 0.000 . 2 . . . . . 135 GLU HG2 . 51340 1 897 . 1 . 1 80 80 GLU HG3 H 1 2.489 0.000 . 2 . . . . . 135 GLU HG3 . 51340 1 898 . 1 . 1 80 80 GLU C C 13 179.307 0.000 . 1 . . . . . 135 GLU C . 51340 1 899 . 1 . 1 80 80 GLU CA C 13 59.546 0.000 . 1 . . . . . 135 GLU CA . 51340 1 900 . 1 . 1 80 80 GLU CB C 13 29.387 0.000 . 1 . . . . . 135 GLU CB . 51340 1 901 . 1 . 1 80 80 GLU CG C 13 36.699 0.000 . 1 . . . . . 135 GLU CG . 51340 1 902 . 1 . 1 80 80 GLU N N 15 122.470 0.001 . 1 . . . . . 135 GLU N . 51340 1 903 . 1 . 1 81 81 GLU H H 1 8.198 0.000 . 1 . . . . . 136 GLU H . 51340 1 904 . 1 . 1 81 81 GLU HA H 1 4.107 0.000 . 1 . . . . . 136 GLU HA . 51340 1 905 . 1 . 1 81 81 GLU HB2 H 1 2.094 0.000 . 1 . . . . . 136 GLU HB2 . 51340 1 906 . 1 . 1 81 81 GLU HG2 H 1 2.475 0.000 . 2 . . . . . 136 GLU HG2 . 51340 1 907 . 1 . 1 81 81 GLU HG3 H 1 2.381 0.000 . 2 . . . . . 136 GLU HG3 . 51340 1 908 . 1 . 1 81 81 GLU C C 13 178.959 0.000 . 1 . . . . . 136 GLU C . 51340 1 909 . 1 . 1 81 81 GLU CA C 13 59.169 0.000 . 1 . . . . . 136 GLU CA . 51340 1 910 . 1 . 1 81 81 GLU CB C 13 29.380 0.000 . 1 . . . . . 136 GLU CB . 51340 1 911 . 1 . 1 81 81 GLU CG C 13 36.348 0.001 . 1 . . . . . 136 GLU CG . 51340 1 912 . 1 . 1 81 81 GLU N N 15 118.845 0.000 . 1 . . . . . 136 GLU N . 51340 1 913 . 1 . 1 82 82 ASP H H 1 7.970 0.000 . 1 . . . . . 137 ASP H . 51340 1 914 . 1 . 1 82 82 ASP HA H 1 4.569 0.000 . 1 . . . . . 137 ASP HA . 51340 1 915 . 1 . 1 82 82 ASP HB2 H 1 2.871 0.000 . 2 . . . . . 137 ASP HB2 . 51340 1 916 . 1 . 1 82 82 ASP HB3 H 1 2.769 0.000 . 2 . . . . . 137 ASP HB3 . 51340 1 917 . 1 . 1 82 82 ASP C C 13 178.497 0.012 . 1 . . . . . 137 ASP C . 51340 1 918 . 1 . 1 82 82 ASP CA C 13 57.277 0.000 . 1 . . . . . 137 ASP CA . 51340 1 919 . 1 . 1 82 82 ASP CB C 13 41.100 0.005 . 1 . . . . . 137 ASP CB . 51340 1 920 . 1 . 1 82 82 ASP N N 15 120.503 0.001 . 1 . . . . . 137 ASP N . 51340 1 921 . 1 . 1 83 83 GLU H H 1 8.243 0.002 . 1 . . . . . 138 GLU H . 51340 1 922 . 1 . 1 83 83 GLU HA H 1 4.083 0.002 . 1 . . . . . 138 GLU HA . 51340 1 923 . 1 . 1 83 83 GLU HB2 H 1 2.133 0.000 . 2 . . . . . 138 GLU HB2 . 51340 1 924 . 1 . 1 83 83 GLU HB3 H 1 2.142 0.000 . 2 . . . . . 138 GLU HB3 . 51340 1 925 . 1 . 1 83 83 GLU HG2 H 1 2.287 0.000 . 2 . . . . . 138 GLU HG2 . 51340 1 926 . 1 . 1 83 83 GLU HG3 H 1 2.080 0.000 . 2 . . . . . 138 GLU HG3 . 51340 1 927 . 1 . 1 83 83 GLU C C 13 178.877 0.000 . 1 . . . . . 138 GLU C . 51340 1 928 . 1 . 1 83 83 GLU CA C 13 59.094 0.000 . 1 . . . . . 138 GLU CA . 51340 1 929 . 1 . 1 83 83 GLU CB C 13 29.842 0.000 . 1 . . . . . 138 GLU CB . 51340 1 930 . 1 . 1 83 83 GLU CG C 13 36.354 0.018 . 1 . . . . . 138 GLU CG . 51340 1 931 . 1 . 1 83 83 GLU N N 15 119.545 0.007 . 1 . . . . . 138 GLU N . 51340 1 932 . 1 . 1 84 84 ARG H H 1 7.940 0.001 . 1 . . . . . 139 ARG H . 51340 1 933 . 1 . 1 84 84 ARG HA H 1 4.086 0.000 . 1 . . . . . 139 ARG HA . 51340 1 934 . 1 . 1 84 84 ARG HB2 H 1 1.934 0.000 . 1 . . . . . 139 ARG HB2 . 51340 1 935 . 1 . 1 84 84 ARG HB3 H 1 1.934 0.000 . 1 . . . . . 139 ARG HB3 . 51340 1 936 . 1 . 1 84 84 ARG HG2 H 1 1.880 0.000 . 1 . . . . . 139 ARG HG2 . 51340 1 937 . 1 . 1 84 84 ARG HG3 H 1 1.880 0.000 . 1 . . . . . 139 ARG HG3 . 51340 1 938 . 1 . 1 84 84 ARG HD2 H 1 3.227 0.000 . 1 . . . . . 139 ARG HD2 . 51340 1 939 . 1 . 1 84 84 ARG HD3 H 1 3.227 0.000 . 1 . . . . . 139 ARG HD3 . 51340 1 940 . 1 . 1 84 84 ARG C C 13 178.500 0.000 . 1 . . . . . 139 ARG C . 51340 1 941 . 1 . 1 84 84 ARG CA C 13 58.638 0.000 . 1 . . . . . 139 ARG CA . 51340 1 942 . 1 . 1 84 84 ARG CB C 13 30.328 0.000 . 1 . . . . . 139 ARG CB . 51340 1 943 . 1 . 1 84 84 ARG CG C 13 27.920 0.000 . 1 . . . . . 139 ARG CG . 51340 1 944 . 1 . 1 84 84 ARG CD C 13 43.554 0.000 . 1 . . . . . 139 ARG CD . 51340 1 945 . 1 . 1 84 84 ARG N N 15 118.675 0.025 . 1 . . . . . 139 ARG N . 51340 1 946 . 1 . 1 85 85 ARG H H 1 7.893 0.000 . 1 . . . . . 140 ARG H . 51340 1 947 . 1 . 1 85 85 ARG HA H 1 4.099 0.000 . 1 . . . . . 140 ARG HA . 51340 1 948 . 1 . 1 85 85 ARG HB2 H 1 2.013 0.000 . 2 . . . . . 140 ARG HB2 . 51340 1 949 . 1 . 1 85 85 ARG HB3 H 1 1.934 0.000 . 2 . . . . . 140 ARG HB3 . 51340 1 950 . 1 . 1 85 85 ARG HG2 H 1 1.649 0.000 . 2 . . . . . 140 ARG HG2 . 51340 1 951 . 1 . 1 85 85 ARG HG3 H 1 1.814 0.000 . 2 . . . . . 140 ARG HG3 . 51340 1 952 . 1 . 1 85 85 ARG HD2 H 1 3.233 0.000 . 1 . . . . . 140 ARG HD2 . 51340 1 953 . 1 . 1 85 85 ARG C C 13 177.903 0.000 . 1 . . . . . 140 ARG C . 51340 1 954 . 1 . 1 85 85 ARG CA C 13 58.710 0.000 . 1 . . . . . 140 ARG CA . 51340 1 955 . 1 . 1 85 85 ARG CB C 13 30.508 0.000 . 1 . . . . . 140 ARG CB . 51340 1 956 . 1 . 1 85 85 ARG CG C 13 27.939 0.002 . 1 . . . . . 140 ARG CG . 51340 1 957 . 1 . 1 85 85 ARG CD C 13 43.574 0.000 . 1 . . . . . 140 ARG CD . 51340 1 958 . 1 . 1 85 85 ARG N N 15 120.006 0.001 . 1 . . . . . 140 ARG N . 51340 1 959 . 1 . 1 86 86 GLU H H 1 8.157 0.000 . 1 . . . . . 141 GLU H . 51340 1 960 . 1 . 1 86 86 GLU HA H 1 4.152 0.000 . 1 . . . . . 141 GLU HA . 51340 1 961 . 1 . 1 86 86 GLU HB2 H 1 2.075 0.000 . 1 . . . . . 141 GLU HB2 . 51340 1 962 . 1 . 1 86 86 GLU HB3 H 1 2.075 0.000 . 1 . . . . . 141 GLU HB3 . 51340 1 963 . 1 . 1 86 86 GLU HG2 H 1 2.370 0.000 . 2 . . . . . 141 GLU HG2 . 51340 1 964 . 1 . 1 86 86 GLU HG3 H 1 2.283 0.000 . 2 . . . . . 141 GLU HG3 . 51340 1 965 . 1 . 1 86 86 GLU C C 13 177.524 0.000 . 1 . . . . . 141 GLU C . 51340 1 966 . 1 . 1 86 86 GLU CA C 13 57.853 0.000 . 1 . . . . . 141 GLU CA . 51340 1 967 . 1 . 1 86 86 GLU CB C 13 29.958 0.000 . 1 . . . . . 141 GLU CB . 51340 1 968 . 1 . 1 86 86 GLU CG C 13 36.302 0.000 . 1 . . . . . 141 GLU CG . 51340 1 969 . 1 . 1 86 86 GLU N N 15 119.337 0.001 . 1 . . . . . 141 GLU N . 51340 1 970 . 1 . 1 87 87 ARG H H 1 7.941 0.000 . 1 . . . . . 142 ARG H . 51340 1 971 . 1 . 1 87 87 ARG HA H 1 4.272 0.000 . 1 . . . . . 142 ARG HA . 51340 1 972 . 1 . 1 87 87 ARG HB2 H 1 1.876 0.000 . 1 . . . . . 142 ARG HB2 . 51340 1 973 . 1 . 1 87 87 ARG HB3 H 1 1.876 0.000 . 1 . . . . . 142 ARG HB3 . 51340 1 974 . 1 . 1 87 87 ARG HG2 H 1 1.683 0.000 . 1 . . . . . 142 ARG HG2 . 51340 1 975 . 1 . 1 87 87 ARG HG3 H 1 1.683 0.000 . 1 . . . . . 142 ARG HG3 . 51340 1 976 . 1 . 1 87 87 ARG HD2 H 1 3.193 0.000 . 1 . . . . . 142 ARG HD2 . 51340 1 977 . 1 . 1 87 87 ARG HD3 H 1 3.193 0.000 . 1 . . . . . 142 ARG HD3 . 51340 1 978 . 1 . 1 87 87 ARG C C 13 176.855 0.000 . 1 . . . . . 142 ARG C . 51340 1 979 . 1 . 1 87 87 ARG CA C 13 56.913 0.000 . 1 . . . . . 142 ARG CA . 51340 1 980 . 1 . 1 87 87 ARG CB C 13 30.422 0.000 . 1 . . . . . 142 ARG CB . 51340 1 981 . 1 . 1 87 87 ARG CG C 13 27.513 0.000 . 1 . . . . . 142 ARG CG . 51340 1 982 . 1 . 1 87 87 ARG CD C 13 43.335 0.000 . 1 . . . . . 142 ARG CD . 51340 1 983 . 1 . 1 87 87 ARG N N 15 119.292 0.001 . 1 . . . . . 142 ARG N . 51340 1 984 . 1 . 1 88 88 ARG H H 1 8.038 0.000 . 1 . . . . . 143 ARG H . 51340 1 985 . 1 . 1 88 88 ARG HA H 1 4.293 0.000 . 1 . . . . . 143 ARG HA . 51340 1 986 . 1 . 1 88 88 ARG HB2 H 1 1.879 0.000 . 1 . . . . . 143 ARG HB2 . 51340 1 987 . 1 . 1 88 88 ARG HB3 H 1 1.879 0.000 . 1 . . . . . 143 ARG HB3 . 51340 1 988 . 1 . 1 88 88 ARG HG2 H 1 1.666 0.000 . 1 . . . . . 143 ARG HG2 . 51340 1 989 . 1 . 1 88 88 ARG HG3 H 1 1.666 0.000 . 1 . . . . . 143 ARG HG3 . 51340 1 990 . 1 . 1 88 88 ARG C C 13 176.753 0.000 . 1 . . . . . 143 ARG C . 51340 1 991 . 1 . 1 88 88 ARG CA C 13 57.007 0.000 . 1 . . . . . 143 ARG CA . 51340 1 992 . 1 . 1 88 88 ARG CB C 13 30.649 0.000 . 1 . . . . . 143 ARG CB . 51340 1 993 . 1 . 1 88 88 ARG CG C 13 27.264 0.000 . 1 . . . . . 143 ARG CG . 51340 1 994 . 1 . 1 88 88 ARG N N 15 121.135 0.000 . 1 . . . . . 143 ARG N . 51340 1 995 . 1 . 1 89 89 VAL H H 1 8.041 0.000 . 1 . . . . . 144 VAL H . 51340 1 996 . 1 . 1 89 89 VAL HA H 1 4.105 0.000 . 1 . . . . . 144 VAL HA . 51340 1 997 . 1 . 1 89 89 VAL HB H 1 2.106 0.000 . 1 . . . . . 144 VAL HB . 51340 1 998 . 1 . 1 89 89 VAL HG11 H 1 0.941 0.000 . 1 . . . . . 144 VAL HG11 . 51340 1 999 . 1 . 1 89 89 VAL HG12 H 1 0.941 0.000 . 1 . . . . . 144 VAL HG12 . 51340 1 1000 . 1 . 1 89 89 VAL HG13 H 1 0.941 0.000 . 1 . . . . . 144 VAL HG13 . 51340 1 1001 . 1 . 1 89 89 VAL C C 13 175.950 0.000 . 1 . . . . . 144 VAL C . 51340 1 1002 . 1 . 1 89 89 VAL CA C 13 62.464 0.000 . 1 . . . . . 144 VAL CA . 51340 1 1003 . 1 . 1 89 89 VAL CB C 13 32.564 0.000 . 1 . . . . . 144 VAL CB . 51340 1 1004 . 1 . 1 89 89 VAL CG1 C 13 20.976 0.000 . 1 . . . . . 144 VAL CG1 . 51340 1 1005 . 1 . 1 89 89 VAL N N 15 119.830 0.001 . 1 . . . . . 144 VAL N . 51340 1 1006 . 1 . 1 90 90 ALA H H 1 8.251 0.000 . 1 . . . . . 145 ALA H . 51340 1 1007 . 1 . 1 90 90 ALA HA H 1 4.361 0.000 . 1 . . . . . 145 ALA HA . 51340 1 1008 . 1 . 1 90 90 ALA HB1 H 1 1.420 0.000 . 1 . . . . . 145 ALA HB1 . 51340 1 1009 . 1 . 1 90 90 ALA HB2 H 1 1.420 0.000 . 1 . . . . . 145 ALA HB2 . 51340 1 1010 . 1 . 1 90 90 ALA HB3 H 1 1.420 0.000 . 1 . . . . . 145 ALA HB3 . 51340 1 1011 . 1 . 1 90 90 ALA C C 13 177.802 0.000 . 1 . . . . . 145 ALA C . 51340 1 1012 . 1 . 1 90 90 ALA CA C 13 52.617 0.000 . 1 . . . . . 145 ALA CA . 51340 1 1013 . 1 . 1 90 90 ALA CB C 13 19.660 0.000 . 1 . . . . . 145 ALA CB . 51340 1 1014 . 1 . 1 90 90 ALA N N 15 126.911 0.001 . 1 . . . . . 145 ALA N . 51340 1 1015 . 1 . 1 91 91 GLY H H 1 8.086 0.000 . 1 . . . . . 146 GLY H . 51340 1 1016 . 1 . 1 91 91 GLY HA2 H 1 4.020 0.000 . 2 . . . . . 146 GLY HA2 . 51340 1 1017 . 1 . 1 91 91 GLY HA3 H 1 4.160 0.000 . 2 . . . . . 146 GLY HA3 . 51340 1 1018 . 1 . 1 91 91 GLY C C 13 171.094 0.000 . 1 . . . . . 146 GLY C . 51340 1 1019 . 1 . 1 91 91 GLY CA C 13 44.481 0.001 . 1 . . . . . 146 GLY CA . 51340 1 1020 . 1 . 1 91 91 GLY N N 15 108.210 0.001 . 1 . . . . . 146 GLY N . 51340 1 1021 . 1 . 1 93 93 PRO HA H 1 4.491 0.000 . 1 . . . . . 148 PRO HA . 51340 1 1022 . 1 . 1 93 93 PRO HB2 H 1 2.250 0.000 . 1 . . . . . 148 PRO HB2 . 51340 1 1023 . 1 . 1 93 93 PRO HD2 H 1 3.789 0.000 . 1 . . . . . 148 PRO HD2 . 51340 1 1024 . 1 . 1 93 93 PRO HD3 H 1 3.789 0.000 . 1 . . . . . 148 PRO HD3 . 51340 1 1025 . 1 . 1 93 93 PRO C C 13 177.189 0.000 . 1 . . . . . 148 PRO C . 51340 1 1026 . 1 . 1 93 93 PRO CA C 13 62.945 0.000 . 1 . . . . . 148 PRO CA . 51340 1 1027 . 1 . 1 93 93 PRO CB C 13 31.493 0.000 . 1 . . . . . 148 PRO CB . 51340 1 1028 . 1 . 1 93 93 PRO CG C 13 27.550 0.000 . 1 . . . . . 148 PRO CG . 51340 1 1029 . 1 . 1 93 93 PRO CD C 13 50.408 0.000 . 1 . . . . . 148 PRO CD . 51340 1 1030 . 1 . 1 94 94 VAL H H 1 8.294 0.000 . 1 . . . . . 149 VAL H . 51340 1 1031 . 1 . 1 94 94 VAL HA H 1 4.091 0.000 . 1 . . . . . 149 VAL HA . 51340 1 1032 . 1 . 1 94 94 VAL HB H 1 2.067 0.000 . 1 . . . . . 149 VAL HB . 51340 1 1033 . 1 . 1 94 94 VAL HG11 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG11 . 51340 1 1034 . 1 . 1 94 94 VAL HG12 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG12 . 51340 1 1035 . 1 . 1 94 94 VAL HG13 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG13 . 51340 1 1036 . 1 . 1 94 94 VAL HG21 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG21 . 51340 1 1037 . 1 . 1 94 94 VAL HG22 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG22 . 51340 1 1038 . 1 . 1 94 94 VAL HG23 H 1 0.954 0.000 . 2 . . . . . 149 VAL HG23 . 51340 1 1039 . 1 . 1 94 94 VAL C C 13 176.923 0.000 . 1 . . . . . 149 VAL C . 51340 1 1040 . 1 . 1 94 94 VAL CA C 13 62.650 0.000 . 1 . . . . . 149 VAL CA . 51340 1 1041 . 1 . 1 94 94 VAL CB C 13 32.699 0.000 . 1 . . . . . 149 VAL CB . 51340 1 1042 . 1 . 1 94 94 VAL CG1 C 13 20.628 0.000 . 2 . . . . . 149 VAL CG1 . 51340 1 1043 . 1 . 1 94 94 VAL CG2 C 13 21.233 0.000 . 2 . . . . . 149 VAL CG2 . 51340 1 1044 . 1 . 1 94 94 VAL N N 15 120.812 0.001 . 1 . . . . . 149 VAL N . 51340 1 1045 . 1 . 1 95 95 GLY H H 1 8.543 0.000 . 1 . . . . . 150 GLY H . 51340 1 1046 . 1 . 1 95 95 GLY HA2 H 1 3.978 0.000 . 1 . . . . . 150 GLY HA2 . 51340 1 1047 . 1 . 1 95 95 GLY HA3 H 1 3.978 0.000 . 1 . . . . . 150 GLY HA3 . 51340 1 1048 . 1 . 1 95 95 GLY C C 13 174.579 0.001 . 1 . . . . . 150 GLY C . 51340 1 1049 . 1 . 1 95 95 GLY CA C 13 45.237 0.000 . 1 . . . . . 150 GLY CA . 51340 1 1050 . 1 . 1 95 95 GLY N N 15 112.751 0.001 . 1 . . . . . 150 GLY N . 51340 1 1051 . 1 . 1 96 96 GLY H H 1 8.245 0.000 . 1 . . . . . 151 GLY H . 51340 1 1052 . 1 . 1 96 96 GLY HA2 H 1 3.965 0.000 . 1 . . . . . 151 GLY HA2 . 51340 1 1053 . 1 . 1 96 96 GLY HA3 H 1 3.965 0.000 . 1 . . . . . 151 GLY HA3 . 51340 1 1054 . 1 . 1 96 96 GLY C C 13 173.891 0.000 . 1 . . . . . 151 GLY C . 51340 1 1055 . 1 . 1 96 96 GLY CA C 13 45.148 0.000 . 1 . . . . . 151 GLY CA . 51340 1 1056 . 1 . 1 96 96 GLY N N 15 108.609 0.001 . 1 . . . . . 151 GLY N . 51340 1 1057 . 1 . 1 97 97 VAL H H 1 8.026 0.000 . 1 . . . . . 152 VAL H . 51340 1 1058 . 1 . 1 97 97 VAL HA H 1 4.108 0.000 . 1 . . . . . 152 VAL HA . 51340 1 1059 . 1 . 1 97 97 VAL HB H 1 2.035 0.000 . 1 . . . . . 152 VAL HB . 51340 1 1060 . 1 . 1 97 97 VAL HG11 H 1 0.890 0.000 . 2 . . . . . 152 VAL HG11 . 51340 1 1061 . 1 . 1 97 97 VAL HG12 H 1 0.890 0.000 . 2 . . . . . 152 VAL HG12 . 51340 1 1062 . 1 . 1 97 97 VAL HG13 H 1 0.890 0.000 . 2 . . . . . 152 VAL HG13 . 51340 1 1063 . 1 . 1 97 97 VAL HG21 H 1 0.889 0.000 . 2 . . . . . 152 VAL HG21 . 51340 1 1064 . 1 . 1 97 97 VAL HG22 H 1 0.889 0.000 . 2 . . . . . 152 VAL HG22 . 51340 1 1065 . 1 . 1 97 97 VAL HG23 H 1 0.889 0.000 . 2 . . . . . 152 VAL HG23 . 51340 1 1066 . 1 . 1 97 97 VAL C C 13 175.731 0.000 . 1 . . . . . 152 VAL C . 51340 1 1067 . 1 . 1 97 97 VAL CA C 13 62.119 0.000 . 1 . . . . . 152 VAL CA . 51340 1 1068 . 1 . 1 97 97 VAL CB C 13 32.894 0.000 . 1 . . . . . 152 VAL CB . 51340 1 1069 . 1 . 1 97 97 VAL CG1 C 13 20.484 0.000 . 2 . . . . . 152 VAL CG1 . 51340 1 1070 . 1 . 1 97 97 VAL CG2 C 13 20.479 0.000 . 2 . . . . . 152 VAL CG2 . 51340 1 1071 . 1 . 1 97 97 VAL N N 15 118.768 0.001 . 1 . . . . . 152 VAL N . 51340 1 1072 . 1 . 1 98 98 ASN H H 1 8.621 0.000 . 1 . . . . . 153 ASN H . 51340 1 1073 . 1 . 1 98 98 ASN HB2 H 1 2.889 0.000 . 2 . . . . . 153 ASN HB2 . 51340 1 1074 . 1 . 1 98 98 ASN HB3 H 1 2.722 0.000 . 2 . . . . . 153 ASN HB3 . 51340 1 1075 . 1 . 1 98 98 ASN HD21 H 1 6.969 0.002 . 1 . . . . . 153 ASN HD21 . 51340 1 1076 . 1 . 1 98 98 ASN HD22 H 1 7.694 0.001 . 1 . . . . . 153 ASN HD22 . 51340 1 1077 . 1 . 1 98 98 ASN C C 13 173.854 0.000 . 1 . . . . . 153 ASN C . 51340 1 1078 . 1 . 1 98 98 ASN CA C 13 50.852 0.000 . 1 . . . . . 153 ASN CA . 51340 1 1079 . 1 . 1 98 98 ASN CB C 13 38.778 0.000 . 1 . . . . . 153 ASN CB . 51340 1 1080 . 1 . 1 98 98 ASN CG C 13 177.155 0.002 . 1 . . . . . 153 ASN CG . 51340 1 1081 . 1 . 1 98 98 ASN N N 15 123.891 0.001 . 1 . . . . . 153 ASN N . 51340 1 1082 . 1 . 1 98 98 ASN ND2 N 15 113.062 0.022 . 1 . . . . . 153 ASN ND2 . 51340 1 1083 . 1 . 1 99 99 PRO HA H 1 4.403 0.000 . 1 . . . . . 154 PRO HA . 51340 1 1084 . 1 . 1 99 99 PRO HB2 H 1 2.303 0.000 . 1 . . . . . 154 PRO HB2 . 51340 1 1085 . 1 . 1 99 99 PRO C C 13 177.090 0.000 . 1 . . . . . 154 PRO C . 51340 1 1086 . 1 . 1 99 99 PRO CA C 13 63.706 0.000 . 1 . . . . . 154 PRO CA . 51340 1 1087 . 1 . 1 99 99 PRO CB C 13 32.280 0.000 . 1 . . . . . 154 PRO CB . 51340 1 1088 . 1 . 1 99 99 PRO CG C 13 27.309 0.000 . 1 . . . . . 154 PRO CG . 51340 1 1089 . 1 . 1 99 99 PRO CD C 13 51.444 0.000 . 1 . . . . . 154 PRO CD . 51340 1 1090 . 1 . 1 100 100 LEU H H 1 8.168 0.000 . 1 . . . . . 155 LEU H . 51340 1 1091 . 1 . 1 100 100 LEU HA H 1 4.297 0.000 . 1 . . . . . 155 LEU HA . 51340 1 1092 . 1 . 1 100 100 LEU HB2 H 1 1.670 0.000 . 2 . . . . . 155 LEU HB2 . 51340 1 1093 . 1 . 1 100 100 LEU HB3 H 1 1.587 0.000 . 2 . . . . . 155 LEU HB3 . 51340 1 1094 . 1 . 1 100 100 LEU HG H 1 1.626 0.000 . 1 . . . . . 155 LEU HG . 51340 1 1095 . 1 . 1 100 100 LEU HD11 H 1 0.913 0.000 . 1 . . . . . 155 LEU HD11 . 51340 1 1096 . 1 . 1 100 100 LEU HD12 H 1 0.913 0.000 . 1 . . . . . 155 LEU HD12 . 51340 1 1097 . 1 . 1 100 100 LEU HD13 H 1 0.913 0.000 . 1 . . . . . 155 LEU HD13 . 51340 1 1098 . 1 . 1 100 100 LEU C C 13 177.709 0.000 . 1 . . . . . 155 LEU C . 51340 1 1099 . 1 . 1 100 100 LEU CA C 13 55.333 0.000 . 1 . . . . . 155 LEU CA . 51340 1 1100 . 1 . 1 100 100 LEU CB C 13 42.002 0.000 . 1 . . . . . 155 LEU CB . 51340 1 1101 . 1 . 1 100 100 LEU CG C 13 26.977 0.000 . 1 . . . . . 155 LEU CG . 51340 1 1102 . 1 . 1 100 100 LEU CD1 C 13 22.588 0.000 . 2 . . . . . 155 LEU CD1 . 51340 1 1103 . 1 . 1 100 100 LEU CD2 C 13 24.751 0.000 . 2 . . . . . 155 LEU CD2 . 51340 1 1104 . 1 . 1 100 100 LEU N N 15 120.238 0.002 . 1 . . . . . 155 LEU N . 51340 1 1105 . 1 . 1 101 101 GLU H H 1 8.079 0.001 . 1 . . . . . 156 GLU H . 51340 1 1106 . 1 . 1 101 101 GLU HA H 1 4.297 0.000 . 1 . . . . . 156 GLU HA . 51340 1 1107 . 1 . 1 101 101 GLU HB2 H 1 1.995 0.000 . 1 . . . . . 156 GLU HB2 . 51340 1 1108 . 1 . 1 101 101 GLU HB3 H 1 1.995 0.000 . 1 . . . . . 156 GLU HB3 . 51340 1 1109 . 1 . 1 101 101 GLU HG2 H 1 2.250 0.000 . 1 . . . . . 156 GLU HG2 . 51340 1 1110 . 1 . 1 101 101 GLU HG3 H 1 2.250 0.000 . 1 . . . . . 156 GLU HG3 . 51340 1 1111 . 1 . 1 101 101 GLU C C 13 176.997 0.000 . 1 . . . . . 156 GLU C . 51340 1 1112 . 1 . 1 101 101 GLU CA C 13 56.666 0.000 . 1 . . . . . 156 GLU CA . 51340 1 1113 . 1 . 1 101 101 GLU CB C 13 30.317 0.000 . 1 . . . . . 156 GLU CB . 51340 1 1114 . 1 . 1 101 101 GLU CG C 13 36.213 0.000 . 1 . . . . . 156 GLU CG . 51340 1 1115 . 1 . 1 101 101 GLU N N 15 120.934 0.026 . 1 . . . . . 156 GLU N . 51340 1 1116 . 1 . 1 102 102 GLY H H 1 8.394 0.000 . 1 . . . . . 157 GLY H . 51340 1 1117 . 1 . 1 102 102 GLY HA2 H 1 3.983 0.000 . 1 . . . . . 157 GLY HA2 . 51340 1 1118 . 1 . 1 102 102 GLY HA3 H 1 3.983 0.000 . 1 . . . . . 157 GLY HA3 . 51340 1 1119 . 1 . 1 102 102 GLY C C 13 174.851 0.000 . 1 . . . . . 157 GLY C . 51340 1 1120 . 1 . 1 102 102 GLY CA C 13 45.491 0.000 . 1 . . . . . 157 GLY CA . 51340 1 1121 . 1 . 1 102 102 GLY N N 15 109.902 0.002 . 1 . . . . . 157 GLY N . 51340 1 1122 . 1 . 1 103 103 GLY H H 1 8.272 0.000 . 1 . . . . . 158 GLY H . 51340 1 1123 . 1 . 1 103 103 GLY HA2 H 1 3.991 0.000 . 1 . . . . . 158 GLY HA2 . 51340 1 1124 . 1 . 1 103 103 GLY HA3 H 1 3.991 0.000 . 1 . . . . . 158 GLY HA3 . 51340 1 1125 . 1 . 1 103 103 GLY C C 13 174.378 0.000 . 1 . . . . . 158 GLY C . 51340 1 1126 . 1 . 1 103 103 GLY CA C 13 45.385 0.000 . 1 . . . . . 158 GLY CA . 51340 1 1127 . 1 . 1 103 103 GLY N N 15 108.721 0.000 . 1 . . . . . 158 GLY N . 51340 1 1128 . 1 . 1 104 104 SER H H 1 8.301 0.000 . 1 . . . . . 159 SER H . 51340 1 1129 . 1 . 1 104 104 SER HA H 1 4.482 0.000 . 1 . . . . . 159 SER HA . 51340 1 1130 . 1 . 1 104 104 SER HB2 H 1 3.872 0.000 . 1 . . . . . 159 SER HB2 . 51340 1 1131 . 1 . 1 104 104 SER HB3 H 1 3.872 0.000 . 1 . . . . . 159 SER HB3 . 51340 1 1132 . 1 . 1 104 104 SER C C 13 174.846 0.001 . 1 . . . . . 159 SER C . 51340 1 1133 . 1 . 1 104 104 SER CA C 13 58.516 0.000 . 1 . . . . . 159 SER CA . 51340 1 1134 . 1 . 1 104 104 SER CB C 13 63.897 0.000 . 1 . . . . . 159 SER CB . 51340 1 1135 . 1 . 1 104 104 SER N N 15 115.712 0.000 . 1 . . . . . 159 SER N . 51340 1 1136 . 1 . 1 105 105 ARG H H 1 8.444 0.000 . 1 . . . . . 160 ARG H . 51340 1 1137 . 1 . 1 105 105 ARG HA H 1 4.328 0.000 . 1 . . . . . 160 ARG HA . 51340 1 1138 . 1 . 1 105 105 ARG HB2 H 1 1.882 0.000 . 2 . . . . . 160 ARG HB2 . 51340 1 1139 . 1 . 1 105 105 ARG HB3 H 1 1.801 0.000 . 2 . . . . . 160 ARG HB3 . 51340 1 1140 . 1 . 1 105 105 ARG HG2 H 1 1.637 0.000 . 1 . . . . . 160 ARG HG2 . 51340 1 1141 . 1 . 1 105 105 ARG HG3 H 1 1.637 0.000 . 1 . . . . . 160 ARG HG3 . 51340 1 1142 . 1 . 1 105 105 ARG HD2 H 1 3.201 0.000 . 1 . . . . . 160 ARG HD2 . 51340 1 1143 . 1 . 1 105 105 ARG HD3 H 1 3.201 0.000 . 1 . . . . . 160 ARG HD3 . 51340 1 1144 . 1 . 1 105 105 ARG C C 13 176.821 0.000 . 1 . . . . . 160 ARG C . 51340 1 1145 . 1 . 1 105 105 ARG CA C 13 56.396 0.000 . 1 . . . . . 160 ARG CA . 51340 1 1146 . 1 . 1 105 105 ARG CB C 13 30.607 0.003 . 1 . . . . . 160 ARG CB . 51340 1 1147 . 1 . 1 105 105 ARG CG C 13 27.038 0.000 . 1 . . . . . 160 ARG CG . 51340 1 1148 . 1 . 1 105 105 ARG CD C 13 43.500 0.000 . 1 . . . . . 160 ARG CD . 51340 1 1149 . 1 . 1 105 105 ARG N N 15 122.798 0.001 . 1 . . . . . 160 ARG N . 51340 1 1150 . 1 . 1 106 106 GLY H H 1 8.319 0.000 . 1 . . . . . 161 GLY H . 51340 1 1151 . 1 . 1 106 106 GLY HA2 H 1 3.915 0.000 . 1 . . . . . 161 GLY HA2 . 51340 1 1152 . 1 . 1 106 106 GLY HA3 H 1 3.915 0.000 . 1 . . . . . 161 GLY HA3 . 51340 1 1153 . 1 . 1 106 106 GLY C C 13 173.329 0.000 . 1 . . . . . 161 GLY C . 51340 1 1154 . 1 . 1 106 106 GLY CA C 13 45.042 0.000 . 1 . . . . . 161 GLY CA . 51340 1 1155 . 1 . 1 106 106 GLY N N 15 109.553 0.000 . 1 . . . . . 161 GLY N . 51340 1 1156 . 1 . 1 107 107 ALA H H 1 8.121 0.000 . 1 . . . . . 162 ALA H . 51340 1 1157 . 1 . 1 107 107 ALA HA H 1 4.593 0.000 . 1 . . . . . 162 ALA HA . 51340 1 1158 . 1 . 1 107 107 ALA HB1 H 1 1.337 0.000 . 1 . . . . . 162 ALA HB1 . 51340 1 1159 . 1 . 1 107 107 ALA HB2 H 1 1.337 0.000 . 1 . . . . . 162 ALA HB2 . 51340 1 1160 . 1 . 1 107 107 ALA HB3 H 1 1.337 0.000 . 1 . . . . . 162 ALA HB3 . 51340 1 1161 . 1 . 1 107 107 ALA C C 13 175.787 0.000 . 1 . . . . . 162 ALA C . 51340 1 1162 . 1 . 1 107 107 ALA CA C 13 50.479 0.000 . 1 . . . . . 162 ALA CA . 51340 1 1163 . 1 . 1 107 107 ALA CB C 13 18.335 0.000 . 1 . . . . . 162 ALA CB . 51340 1 1164 . 1 . 1 107 107 ALA N N 15 124.795 0.001 . 1 . . . . . 162 ALA N . 51340 1 1165 . 1 . 1 108 108 PRO HA H 1 4.429 0.000 . 1 . . . . . 163 PRO HA . 51340 1 1166 . 1 . 1 108 108 PRO HB2 H 1 2.292 0.000 . 1 . . . . . 163 PRO HB2 . 51340 1 1167 . 1 . 1 108 108 PRO C C 13 177.831 0.000 . 1 . . . . . 163 PRO C . 51340 1 1168 . 1 . 1 108 108 PRO CA C 13 63.645 0.000 . 1 . . . . . 163 PRO CA . 51340 1 1169 . 1 . 1 108 108 PRO CB C 13 32.018 0.000 . 1 . . . . . 163 PRO CB . 51340 1 1170 . 1 . 1 108 108 PRO CG C 13 27.537 0.000 . 1 . . . . . 163 PRO CG . 51340 1 1171 . 1 . 1 108 108 PRO CD C 13 50.931 0.000 . 1 . . . . . 163 PRO CD . 51340 1 1172 . 1 . 1 109 109 GLY H H 1 8.552 0.000 . 1 . . . . . 164 GLY H . 51340 1 1173 . 1 . 1 109 109 GLY HA2 H 1 3.977 0.000 . 1 . . . . . 164 GLY HA2 . 51340 1 1174 . 1 . 1 109 109 GLY HA3 H 1 3.977 0.000 . 1 . . . . . 164 GLY HA3 . 51340 1 1175 . 1 . 1 109 109 GLY C C 13 174.924 0.000 . 1 . . . . . 164 GLY C . 51340 1 1176 . 1 . 1 109 109 GLY CA C 13 45.664 0.000 . 1 . . . . . 164 GLY CA . 51340 1 1177 . 1 . 1 109 109 GLY N N 15 109.743 0.000 . 1 . . . . . 164 GLY N . 51340 1 1178 . 1 . 1 110 110 GLY H H 1 8.288 0.000 . 1 . . . . . 165 GLY H . 51340 1 1179 . 1 . 1 110 110 GLY HA2 H 1 3.981 0.000 . 1 . . . . . 165 GLY HA2 . 51340 1 1180 . 1 . 1 110 110 GLY HA3 H 1 3.981 0.000 . 1 . . . . . 165 GLY HA3 . 51340 1 1181 . 1 . 1 110 110 GLY C C 13 174.706 0.000 . 1 . . . . . 165 GLY C . 51340 1 1182 . 1 . 1 110 110 GLY CA C 13 45.617 0.000 . 1 . . . . . 165 GLY CA . 51340 1 1183 . 1 . 1 110 110 GLY N N 15 108.680 0.000 . 1 . . . . . 165 GLY N . 51340 1 1184 . 1 . 1 111 111 GLY H H 1 8.251 0.000 . 1 . . . . . 166 GLY H . 51340 1 1185 . 1 . 1 111 111 GLY HA2 H 1 3.905 0.000 . 1 . . . . . 166 GLY HA2 . 51340 1 1186 . 1 . 1 111 111 GLY HA3 H 1 3.905 0.000 . 1 . . . . . 166 GLY HA3 . 51340 1 1187 . 1 . 1 111 111 GLY C C 13 173.592 0.000 . 1 . . . . . 166 GLY C . 51340 1 1188 . 1 . 1 111 111 GLY CA C 13 45.091 0.000 . 1 . . . . . 166 GLY CA . 51340 1 1189 . 1 . 1 111 111 GLY N N 15 108.560 0.000 . 1 . . . . . 166 GLY N . 51340 1 1190 . 1 . 1 112 112 PHE H H 1 8.103 0.000 . 1 . . . . . 167 PHE H . 51340 1 1191 . 1 . 1 112 112 PHE HA H 1 4.618 0.000 . 1 . . . . . 167 PHE HA . 51340 1 1192 . 1 . 1 112 112 PHE HB2 H 1 3.028 0.000 . 1 . . . . . 167 PHE HB2 . 51340 1 1193 . 1 . 1 112 112 PHE HB3 H 1 3.028 0.000 . 1 . . . . . 167 PHE HB3 . 51340 1 1194 . 1 . 1 112 112 PHE C C 13 175.220 0.000 . 1 . . . . . 167 PHE C . 51340 1 1195 . 1 . 1 112 112 PHE CA C 13 57.874 0.000 . 1 . . . . . 167 PHE CA . 51340 1 1196 . 1 . 1 112 112 PHE CB C 13 39.905 0.000 . 1 . . . . . 167 PHE CB . 51340 1 1197 . 1 . 1 112 112 PHE N N 15 120.259 0.001 . 1 . . . . . 167 PHE N . 51340 1 1198 . 1 . 1 113 113 VAL H H 1 8.052 0.000 . 1 . . . . . 168 VAL H . 51340 1 1199 . 1 . 1 113 113 VAL HA H 1 4.328 0.000 . 1 . . . . . 168 VAL HA . 51340 1 1200 . 1 . 1 113 113 VAL HB H 1 1.968 0.000 . 1 . . . . . 168 VAL HB . 51340 1 1201 . 1 . 1 113 113 VAL HG11 H 1 0.910 0.000 . 2 . . . . . 168 VAL HG11 . 51340 1 1202 . 1 . 1 113 113 VAL HG12 H 1 0.910 0.000 . 2 . . . . . 168 VAL HG12 . 51340 1 1203 . 1 . 1 113 113 VAL HG13 H 1 0.910 0.000 . 2 . . . . . 168 VAL HG13 . 51340 1 1204 . 1 . 1 113 113 VAL HG21 H 1 0.884 0.000 . 2 . . . . . 168 VAL HG21 . 51340 1 1205 . 1 . 1 113 113 VAL HG22 H 1 0.884 0.000 . 2 . . . . . 168 VAL HG22 . 51340 1 1206 . 1 . 1 113 113 VAL HG23 H 1 0.884 0.000 . 2 . . . . . 168 VAL HG23 . 51340 1 1207 . 1 . 1 113 113 VAL C C 13 173.849 0.000 . 1 . . . . . 168 VAL C . 51340 1 1208 . 1 . 1 113 113 VAL CA C 13 59.515 0.000 . 1 . . . . . 168 VAL CA . 51340 1 1209 . 1 . 1 113 113 VAL CB C 13 33.192 0.000 . 1 . . . . . 168 VAL CB . 51340 1 1210 . 1 . 1 113 113 VAL CG1 C 13 20.780 0.000 . 2 . . . . . 168 VAL CG1 . 51340 1 1211 . 1 . 1 113 113 VAL CG2 C 13 20.784 0.000 . 2 . . . . . 168 VAL CG2 . 51340 1 1212 . 1 . 1 113 113 VAL N N 15 125.409 0.001 . 1 . . . . . 168 VAL N . 51340 1 1213 . 1 . 1 114 114 PRO HA H 1 4.282 0.000 . 1 . . . . . 169 PRO HA . 51340 1 1214 . 1 . 1 114 114 PRO HB2 H 1 2.272 0.000 . 1 . . . . . 169 PRO HB2 . 51340 1 1215 . 1 . 1 114 114 PRO C C 13 176.371 0.001 . 1 . . . . . 169 PRO C . 51340 1 1216 . 1 . 1 114 114 PRO CA C 13 63.208 0.000 . 1 . . . . . 169 PRO CA . 51340 1 1217 . 1 . 1 114 114 PRO CB C 13 32.202 0.000 . 1 . . . . . 169 PRO CB . 51340 1 1218 . 1 . 1 114 114 PRO CG C 13 27.256 0.000 . 1 . . . . . 169 PRO CG . 51340 1 1219 . 1 . 1 115 115 ASN H H 1 8.467 0.000 . 1 . . . . . 170 ASN H . 51340 1 1220 . 1 . 1 115 115 ASN HA H 1 4.649 0.000 . 1 . . . . . 170 ASN HA . 51340 1 1221 . 1 . 1 115 115 ASN HB2 H 1 2.813 0.000 . 1 . . . . . 170 ASN HB2 . 51340 1 1222 . 1 . 1 115 115 ASN HB3 H 1 2.813 0.000 . 1 . . . . . 170 ASN HB3 . 51340 1 1223 . 1 . 1 115 115 ASN HD21 H 1 6.924 0.000 . 1 . . . . . 170 ASN HD21 . 51340 1 1224 . 1 . 1 115 115 ASN HD22 H 1 7.608 0.000 . 1 . . . . . 170 ASN HD22 . 51340 1 1225 . 1 . 1 115 115 ASN C C 13 175.336 0.000 . 1 . . . . . 170 ASN C . 51340 1 1226 . 1 . 1 115 115 ASN CA C 13 53.237 0.000 . 1 . . . . . 170 ASN CA . 51340 1 1227 . 1 . 1 115 115 ASN CB C 13 38.677 0.000 . 1 . . . . . 170 ASN CB . 51340 1 1228 . 1 . 1 115 115 ASN CG C 13 177.219 0.011 . 1 . . . . . 170 ASN CG . 51340 1 1229 . 1 . 1 115 115 ASN N N 15 118.381 0.001 . 1 . . . . . 170 ASN N . 51340 1 1230 . 1 . 1 115 115 ASN ND2 N 15 112.751 0.015 . 1 . . . . . 170 ASN ND2 . 51340 1 1231 . 1 . 1 116 116 LEU H H 1 8.262 0.000 . 1 . . . . . 171 LEU H . 51340 1 1232 . 1 . 1 116 116 LEU HA H 1 4.324 0.000 . 1 . . . . . 171 LEU HA . 51340 1 1233 . 1 . 1 116 116 LEU HB2 H 1 1.612 0.000 . 1 . . . . . 171 LEU HB2 . 51340 1 1234 . 1 . 1 116 116 LEU HB3 H 1 1.612 0.000 . 1 . . . . . 171 LEU HB3 . 51340 1 1235 . 1 . 1 116 116 LEU HG H 1 1.612 0.000 . 1 . . . . . 171 LEU HG . 51340 1 1236 . 1 . 1 116 116 LEU HD11 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD11 . 51340 1 1237 . 1 . 1 116 116 LEU HD12 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD12 . 51340 1 1238 . 1 . 1 116 116 LEU HD13 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD13 . 51340 1 1239 . 1 . 1 116 116 LEU HD21 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD21 . 51340 1 1240 . 1 . 1 116 116 LEU HD22 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD22 . 51340 1 1241 . 1 . 1 116 116 LEU HD23 H 1 0.896 0.000 . 1 . . . . . 171 LEU HD23 . 51340 1 1242 . 1 . 1 116 116 LEU C C 13 177.369 0.000 . 1 . . . . . 171 LEU C . 51340 1 1243 . 1 . 1 116 116 LEU CA C 13 55.650 0.000 . 1 . . . . . 171 LEU CA . 51340 1 1244 . 1 . 1 116 116 LEU CB C 13 42.208 0.000 . 1 . . . . . 171 LEU CB . 51340 1 1245 . 1 . 1 116 116 LEU CG C 13 26.413 0.000 . 1 . . . . . 171 LEU CG . 51340 1 1246 . 1 . 1 116 116 LEU CD1 C 13 24.758 0.000 . 2 . . . . . 171 LEU CD1 . 51340 1 1247 . 1 . 1 116 116 LEU CD2 C 13 22.860 0.000 . 2 . . . . . 171 LEU CD2 . 51340 1 1248 . 1 . 1 116 116 LEU N N 15 122.916 0.002 . 1 . . . . . 171 LEU N . 51340 1 1249 . 1 . 1 117 117 GLN H H 1 8.327 0.000 . 1 . . . . . 172 GLN H . 51340 1 1250 . 1 . 1 117 117 GLN HA H 1 4.324 0.000 . 1 . . . . . 172 GLN HA . 51340 1 1251 . 1 . 1 117 117 GLN HB2 H 1 2.132 0.000 . 2 . . . . . 172 GLN HB2 . 51340 1 1252 . 1 . 1 117 117 GLN HB3 H 1 1.999 0.000 . 2 . . . . . 172 GLN HB3 . 51340 1 1253 . 1 . 1 117 117 GLN HG2 H 1 2.357 0.000 . 1 . . . . . 172 GLN HG2 . 51340 1 1254 . 1 . 1 117 117 GLN HG3 H 1 2.357 0.000 . 1 . . . . . 172 GLN HG3 . 51340 1 1255 . 1 . 1 117 117 GLN HE21 H 1 7.530 0.001 . 1 . . . . . 172 GLN HE21 . 51340 1 1256 . 1 . 1 117 117 GLN HE22 H 1 6.851 0.000 . 1 . . . . . 172 GLN HE22 . 51340 1 1257 . 1 . 1 117 117 GLN C C 13 176.380 0.000 . 1 . . . . . 172 GLN C . 51340 1 1258 . 1 . 1 117 117 GLN CA C 13 56.269 0.000 . 1 . . . . . 172 GLN CA . 51340 1 1259 . 1 . 1 117 117 GLN CB C 13 29.391 0.003 . 1 . . . . . 172 GLN CB . 51340 1 1260 . 1 . 1 117 117 GLN CG C 13 33.900 0.000 . 1 . . . . . 172 GLN CG . 51340 1 1261 . 1 . 1 117 117 GLN CD C 13 180.639 0.004 . 1 . . . . . 172 GLN CD . 51340 1 1262 . 1 . 1 117 117 GLN N N 15 120.293 0.000 . 1 . . . . . 172 GLN N . 51340 1 1263 . 1 . 1 117 117 GLN NE2 N 15 112.473 0.009 . 1 . . . . . 172 GLN NE2 . 51340 1 1264 . 1 . 1 118 118 GLY H H 1 8.324 0.000 . 1 . . . . . 173 GLY H . 51340 1 1265 . 1 . 1 118 118 GLY HA2 H 1 3.925 0.000 . 1 . . . . . 173 GLY HA2 . 51340 1 1266 . 1 . 1 118 118 GLY HA3 H 1 3.925 0.000 . 1 . . . . . 173 GLY HA3 . 51340 1 1267 . 1 . 1 118 118 GLY C C 13 173.724 0.001 . 1 . . . . . 173 GLY C . 51340 1 1268 . 1 . 1 118 118 GLY CA C 13 45.425 0.000 . 1 . . . . . 173 GLY CA . 51340 1 1269 . 1 . 1 118 118 GLY N N 15 109.922 0.001 . 1 . . . . . 173 GLY N . 51340 1 1270 . 1 . 1 119 119 VAL H H 1 7.957 0.000 . 1 . . . . . 174 VAL H . 51340 1 1271 . 1 . 1 119 119 VAL HA H 1 4.436 0.000 . 1 . . . . . 174 VAL HA . 51340 1 1272 . 1 . 1 119 119 VAL HB H 1 2.089 0.000 . 1 . . . . . 174 VAL HB . 51340 1 1273 . 1 . 1 119 119 VAL HG11 H 1 0.976 0.000 . 1 . . . . . 174 VAL HG11 . 51340 1 1274 . 1 . 1 119 119 VAL HG12 H 1 0.976 0.000 . 1 . . . . . 174 VAL HG12 . 51340 1 1275 . 1 . 1 119 119 VAL HG13 H 1 0.976 0.000 . 1 . . . . . 174 VAL HG13 . 51340 1 1276 . 1 . 1 119 119 VAL C C 13 174.652 0.000 . 1 . . . . . 174 VAL C . 51340 1 1277 . 1 . 1 119 119 VAL CA C 13 59.883 0.000 . 1 . . . . . 174 VAL CA . 51340 1 1278 . 1 . 1 119 119 VAL CB C 13 32.578 0.000 . 1 . . . . . 174 VAL CB . 51340 1 1279 . 1 . 1 119 119 VAL CG1 C 13 21.151 0.000 . 1 . . . . . 174 VAL CG1 . 51340 1 1280 . 1 . 1 119 119 VAL N N 15 120.610 0.001 . 1 . . . . . 174 VAL N . 51340 1 1281 . 1 . 1 120 120 PRO HA H 1 4.400 0.000 . 1 . . . . . 175 PRO HA . 51340 1 1282 . 1 . 1 120 120 PRO HB2 H 1 2.275 0.000 . 1 . . . . . 175 PRO HB2 . 51340 1 1283 . 1 . 1 120 120 PRO HB3 H 1 2.275 0.000 . 1 . . . . . 175 PRO HB3 . 51340 1 1284 . 1 . 1 120 120 PRO HG2 H 1 1.887 0.000 . 1 . . . . . 175 PRO HG2 . 51340 1 1285 . 1 . 1 120 120 PRO HG3 H 1 1.887 0.000 . 1 . . . . . 175 PRO HG3 . 51340 1 1286 . 1 . 1 120 120 PRO HD2 H 1 3.800 0.000 . 2 . . . . . 175 PRO HD2 . 51340 1 1287 . 1 . 1 120 120 PRO HD3 H 1 3.635 0.000 . 2 . . . . . 175 PRO HD3 . 51340 1 1288 . 1 . 1 120 120 PRO C C 13 176.807 0.000 . 1 . . . . . 175 PRO C . 51340 1 1289 . 1 . 1 120 120 PRO CA C 13 63.281 0.000 . 1 . . . . . 175 PRO CA . 51340 1 1290 . 1 . 1 120 120 PRO CB C 13 32.176 0.000 . 1 . . . . . 175 PRO CB . 51340 1 1291 . 1 . 1 120 120 PRO CG C 13 27.478 0.000 . 1 . . . . . 175 PRO CG . 51340 1 1292 . 1 . 1 120 120 PRO CD C 13 50.551 0.004 . 1 . . . . . 175 PRO CD . 51340 1 1293 . 1 . 1 121 121 GLU H H 1 8.500 0.000 . 1 . . . . . 176 GLU H . 51340 1 1294 . 1 . 1 121 121 GLU HA H 1 4.237 0.000 . 1 . . . . . 176 GLU HA . 51340 1 1295 . 1 . 1 121 121 GLU HB2 H 1 1.971 0.000 . 1 . . . . . 176 GLU HB2 . 51340 1 1296 . 1 . 1 121 121 GLU HB3 H 1 1.971 0.000 . 1 . . . . . 176 GLU HB3 . 51340 1 1297 . 1 . 1 121 121 GLU HG2 H 1 2.282 0.000 . 1 . . . . . 176 GLU HG2 . 51340 1 1298 . 1 . 1 121 121 GLU HG3 H 1 2.282 0.000 . 1 . . . . . 176 GLU HG3 . 51340 1 1299 . 1 . 1 121 121 GLU C C 13 176.318 0.000 . 1 . . . . . 176 GLU C . 51340 1 1300 . 1 . 1 121 121 GLU CA C 13 56.664 0.000 . 1 . . . . . 176 GLU CA . 51340 1 1301 . 1 . 1 121 121 GLU CB C 13 30.406 0.000 . 1 . . . . . 176 GLU CB . 51340 1 1302 . 1 . 1 121 121 GLU CG C 13 36.367 0.000 . 1 . . . . . 176 GLU CG . 51340 1 1303 . 1 . 1 121 121 GLU N N 15 121.145 0.001 . 1 . . . . . 176 GLU N . 51340 1 1304 . 1 . 1 122 122 SER H H 1 8.382 0.000 . 1 . . . . . 177 SER H . 51340 1 1305 . 1 . 1 122 122 SER HB2 H 1 3.844 0.000 . 1 . . . . . 177 SER HB2 . 51340 1 1306 . 1 . 1 122 122 SER HB3 H 1 3.844 0.000 . 1 . . . . . 177 SER HB3 . 51340 1 1307 . 1 . 1 122 122 SER C C 13 173.365 0.000 . 1 . . . . . 177 SER C . 51340 1 1308 . 1 . 1 122 122 SER CA C 13 56.079 0.000 . 1 . . . . . 177 SER CA . 51340 1 1309 . 1 . 1 122 122 SER CB C 13 63.714 0.000 . 1 . . . . . 177 SER CB . 51340 1 1310 . 1 . 1 122 122 SER N N 15 117.883 0.001 . 1 . . . . . 177 SER N . 51340 1 1311 . 1 . 1 123 123 PRO HA H 1 4.376 0.000 . 1 . . . . . 178 PRO HA . 51340 1 1312 . 1 . 1 123 123 PRO HB2 H 1 2.160 0.000 . 2 . . . . . 178 PRO HB2 . 51340 1 1313 . 1 . 1 123 123 PRO HB3 H 1 1.652 0.000 . 2 . . . . . 178 PRO HB3 . 51340 1 1314 . 1 . 1 123 123 PRO HG2 H 1 1.647 0.000 . 1 . . . . . 178 PRO HG2 . 51340 1 1315 . 1 . 1 123 123 PRO HG3 H 1 1.647 0.000 . 1 . . . . . 178 PRO HG3 . 51340 1 1316 . 1 . 1 123 123 PRO HD2 H 1 3.759 0.000 . 2 . . . . . 178 PRO HD2 . 51340 1 1317 . 1 . 1 123 123 PRO HD3 H 1 3.617 0.000 . 2 . . . . . 178 PRO HD3 . 51340 1 1318 . 1 . 1 123 123 PRO C C 13 176.714 0.000 . 1 . . . . . 178 PRO C . 51340 1 1319 . 1 . 1 123 123 PRO CA C 13 63.624 0.000 . 1 . . . . . 178 PRO CA . 51340 1 1320 . 1 . 1 123 123 PRO CB C 13 31.918 0.000 . 1 . . . . . 178 PRO CB . 51340 1 1321 . 1 . 1 123 123 PRO CG C 13 27.160 0.000 . 1 . . . . . 178 PRO CG . 51340 1 1322 . 1 . 1 123 123 PRO CD C 13 50.412 0.000 . 1 . . . . . 178 PRO CD . 51340 1 1323 . 1 . 1 124 124 PHE H H 1 8.043 0.000 . 1 . . . . . 179 PHE H . 51340 1 1324 . 1 . 1 124 124 PHE HA H 1 4.641 0.000 . 1 . . . . . 179 PHE HA . 51340 1 1325 . 1 . 1 124 124 PHE HB2 H 1 2.972 0.000 . 2 . . . . . 179 PHE HB2 . 51340 1 1326 . 1 . 1 124 124 PHE HB3 H 1 3.194 0.000 . 2 . . . . . 179 PHE HB3 . 51340 1 1327 . 1 . 1 124 124 PHE C C 13 175.866 0.001 . 1 . . . . . 179 PHE C . 51340 1 1328 . 1 . 1 124 124 PHE CA C 13 57.671 0.000 . 1 . . . . . 179 PHE CA . 51340 1 1329 . 1 . 1 124 124 PHE CB C 13 39.419 0.000 . 1 . . . . . 179 PHE CB . 51340 1 1330 . 1 . 1 124 124 PHE N N 15 118.788 0.001 . 1 . . . . . 179 PHE N . 51340 1 1331 . 1 . 1 125 125 SER H H 1 8.072 0.000 . 1 . . . . . 180 SER H . 51340 1 1332 . 1 . 1 125 125 SER HA H 1 4.431 0.000 . 1 . . . . . 180 SER HA . 51340 1 1333 . 1 . 1 125 125 SER HB2 H 1 3.826 0.000 . 1 . . . . . 180 SER HB2 . 51340 1 1334 . 1 . 1 125 125 SER HB3 H 1 3.826 0.000 . 1 . . . . . 180 SER HB3 . 51340 1 1335 . 1 . 1 125 125 SER C C 13 174.367 0.000 . 1 . . . . . 180 SER C . 51340 1 1336 . 1 . 1 125 125 SER CA C 13 58.391 0.000 . 1 . . . . . 180 SER CA . 51340 1 1337 . 1 . 1 125 125 SER CB C 13 63.818 0.000 . 1 . . . . . 180 SER CB . 51340 1 1338 . 1 . 1 125 125 SER N N 15 116.871 0.001 . 1 . . . . . 180 SER N . 51340 1 1339 . 1 . 1 126 126 ARG H H 1 8.369 0.000 . 1 . . . . . 181 ARG H . 51340 1 1340 . 1 . 1 126 126 ARG HA H 1 4.445 0.000 . 1 . . . . . 181 ARG HA . 51340 1 1341 . 1 . 1 126 126 ARG HB2 H 1 1.768 0.000 . 2 . . . . . 181 ARG HB2 . 51340 1 1342 . 1 . 1 126 126 ARG HB3 H 1 1.909 0.000 . 2 . . . . . 181 ARG HB3 . 51340 1 1343 . 1 . 1 126 126 ARG HG2 H 1 1.643 0.000 . 1 . . . . . 181 ARG HG2 . 51340 1 1344 . 1 . 1 126 126 ARG HG3 H 1 1.643 0.000 . 1 . . . . . 181 ARG HG3 . 51340 1 1345 . 1 . 1 126 126 ARG HD2 H 1 3.192 0.000 . 1 . . . . . 181 ARG HD2 . 51340 1 1346 . 1 . 1 126 126 ARG HD3 H 1 3.192 0.000 . 1 . . . . . 181 ARG HD3 . 51340 1 1347 . 1 . 1 126 126 ARG C C 13 176.544 0.000 . 1 . . . . . 181 ARG C . 51340 1 1348 . 1 . 1 126 126 ARG CA C 13 56.263 0.000 . 1 . . . . . 181 ARG CA . 51340 1 1349 . 1 . 1 126 126 ARG CB C 13 30.914 0.002 . 1 . . . . . 181 ARG CB . 51340 1 1350 . 1 . 1 126 126 ARG CG C 13 27.015 0.000 . 1 . . . . . 181 ARG CG . 51340 1 1351 . 1 . 1 126 126 ARG CD C 13 43.596 0.000 . 1 . . . . . 181 ARG CD . 51340 1 1352 . 1 . 1 126 126 ARG N N 15 123.070 0.000 . 1 . . . . . 181 ARG N . 51340 1 1353 . 1 . 1 127 127 THR H H 1 8.214 0.000 . 1 . . . . . 182 THR H . 51340 1 1354 . 1 . 1 127 127 THR HA H 1 4.355 0.000 . 1 . . . . . 182 THR HA . 51340 1 1355 . 1 . 1 127 127 THR HB H 1 4.250 0.000 . 1 . . . . . 182 THR HB . 51340 1 1356 . 1 . 1 127 127 THR HG21 H 1 1.206 0.000 . 1 . . . . . 182 THR HG21 . 51340 1 1357 . 1 . 1 127 127 THR HG22 H 1 1.206 0.000 . 1 . . . . . 182 THR HG22 . 51340 1 1358 . 1 . 1 127 127 THR HG23 H 1 1.206 0.000 . 1 . . . . . 182 THR HG23 . 51340 1 1359 . 1 . 1 127 127 THR C C 13 175.258 0.000 . 1 . . . . . 182 THR C . 51340 1 1360 . 1 . 1 127 127 THR CA C 13 62.170 0.000 . 1 . . . . . 182 THR CA . 51340 1 1361 . 1 . 1 127 127 THR CB C 13 69.951 0.000 . 1 . . . . . 182 THR CB . 51340 1 1362 . 1 . 1 127 127 THR CG2 C 13 21.700 0.000 . 1 . . . . . 182 THR CG2 . 51340 1 1363 . 1 . 1 127 127 THR N N 15 114.517 0.000 . 1 . . . . . 182 THR N . 51340 1 1364 . 1 . 1 128 128 GLY H H 1 8.462 0.001 . 1 . . . . . 183 GLY H . 51340 1 1365 . 1 . 1 128 128 GLY HA2 H 1 3.974 0.000 . 1 . . . . . 183 GLY HA2 . 51340 1 1366 . 1 . 1 128 128 GLY HA3 H 1 3.974 0.000 . 1 . . . . . 183 GLY HA3 . 51340 1 1367 . 1 . 1 128 128 GLY C C 13 174.180 0.000 . 1 . . . . . 183 GLY C . 51340 1 1368 . 1 . 1 128 128 GLY CA C 13 45.519 0.000 . 1 . . . . . 183 GLY CA . 51340 1 1369 . 1 . 1 128 128 GLY N N 15 111.245 0.004 . 1 . . . . . 183 GLY N . 51340 1 1370 . 1 . 1 129 129 GLU H H 1 8.255 0.000 . 1 . . . . . 184 GLU H . 51340 1 1371 . 1 . 1 129 129 GLU HA H 1 4.307 0.000 . 1 . . . . . 184 GLU HA . 51340 1 1372 . 1 . 1 129 129 GLU HB2 H 1 1.929 0.000 . 2 . . . . . 184 GLU HB2 . 51340 1 1373 . 1 . 1 129 129 GLU HB3 H 1 2.080 0.000 . 2 . . . . . 184 GLU HB3 . 51340 1 1374 . 1 . 1 129 129 GLU HG2 H 1 2.243 0.000 . 1 . . . . . 184 GLU HG2 . 51340 1 1375 . 1 . 1 129 129 GLU HG3 H 1 2.243 0.000 . 1 . . . . . 184 GLU HG3 . 51340 1 1376 . 1 . 1 129 129 GLU C C 13 177.014 0.000 . 1 . . . . . 184 GLU C . 51340 1 1377 . 1 . 1 129 129 GLU CA C 13 56.759 0.000 . 1 . . . . . 184 GLU CA . 51340 1 1378 . 1 . 1 129 129 GLU CB C 13 30.424 0.013 . 1 . . . . . 184 GLU CB . 51340 1 1379 . 1 . 1 129 129 GLU CG C 13 36.348 0.000 . 1 . . . . . 184 GLU CG . 51340 1 1380 . 1 . 1 129 129 GLU N N 15 120.417 0.001 . 1 . . . . . 184 GLU N . 51340 1 1381 . 1 . 1 130 130 GLY H H 1 8.510 0.000 . 1 . . . . . 185 GLY H . 51340 1 1382 . 1 . 1 130 130 GLY HA2 H 1 3.932 0.000 . 1 . . . . . 185 GLY HA2 . 51340 1 1383 . 1 . 1 130 130 GLY HA3 H 1 3.932 0.000 . 1 . . . . . 185 GLY HA3 . 51340 1 1384 . 1 . 1 130 130 GLY C C 13 174.177 0.000 . 1 . . . . . 185 GLY C . 51340 1 1385 . 1 . 1 130 130 GLY CA C 13 45.538 0.000 . 1 . . . . . 185 GLY CA . 51340 1 1386 . 1 . 1 130 130 GLY N N 15 109.865 0.001 . 1 . . . . . 185 GLY N . 51340 1 1387 . 1 . 1 131 131 LEU H H 1 8.040 0.000 . 1 . . . . . 186 LEU H . 51340 1 1388 . 1 . 1 131 131 LEU HA H 1 4.327 0.000 . 1 . . . . . 186 LEU HA . 51340 1 1389 . 1 . 1 131 131 LEU HB2 H 1 1.618 0.000 . 2 . . . . . 186 LEU HB2 . 51340 1 1390 . 1 . 1 131 131 LEU HB3 H 1 1.545 0.000 . 2 . . . . . 186 LEU HB3 . 51340 1 1391 . 1 . 1 131 131 LEU HG H 1 1.550 0.000 . 1 . . . . . 186 LEU HG . 51340 1 1392 . 1 . 1 131 131 LEU HD11 H 1 0.862 0.000 . 2 . . . . . 186 LEU HD11 . 51340 1 1393 . 1 . 1 131 131 LEU HD12 H 1 0.862 0.000 . 2 . . . . . 186 LEU HD12 . 51340 1 1394 . 1 . 1 131 131 LEU HD13 H 1 0.862 0.000 . 2 . . . . . 186 LEU HD13 . 51340 1 1395 . 1 . 1 131 131 LEU HD21 H 1 0.917 0.000 . 2 . . . . . 186 LEU HD21 . 51340 1 1396 . 1 . 1 131 131 LEU HD22 H 1 0.917 0.000 . 2 . . . . . 186 LEU HD22 . 51340 1 1397 . 1 . 1 131 131 LEU HD23 H 1 0.917 0.000 . 2 . . . . . 186 LEU HD23 . 51340 1 1398 . 1 . 1 131 131 LEU C C 13 177.050 0.000 . 1 . . . . . 186 LEU C . 51340 1 1399 . 1 . 1 131 131 LEU CA C 13 55.274 0.000 . 1 . . . . . 186 LEU CA . 51340 1 1400 . 1 . 1 131 131 LEU CB C 13 42.604 0.000 . 1 . . . . . 186 LEU CB . 51340 1 1401 . 1 . 1 131 131 LEU CG C 13 27.100 0.000 . 1 . . . . . 186 LEU CG . 51340 1 1402 . 1 . 1 131 131 LEU CD1 C 13 23.290 0.000 . 2 . . . . . 186 LEU CD1 . 51340 1 1403 . 1 . 1 131 131 LEU CD2 C 13 25.042 0.000 . 2 . . . . . 186 LEU CD2 . 51340 1 1404 . 1 . 1 131 131 LEU N N 15 121.196 0.000 . 1 . . . . . 186 LEU N . 51340 1 1405 . 1 . 1 132 132 ASP H H 1 8.438 0.000 . 1 . . . . . 187 ASP H . 51340 1 1406 . 1 . 1 132 132 ASP HA H 1 4.607 0.000 . 1 . . . . . 187 ASP HA . 51340 1 1407 . 1 . 1 132 132 ASP HB2 H 1 2.728 0.000 . 2 . . . . . 187 ASP HB2 . 51340 1 1408 . 1 . 1 132 132 ASP HB3 H 1 2.595 0.000 . 2 . . . . . 187 ASP HB3 . 51340 1 1409 . 1 . 1 132 132 ASP C C 13 176.371 0.000 . 1 . . . . . 187 ASP C . 51340 1 1410 . 1 . 1 132 132 ASP CA C 13 54.109 0.000 . 1 . . . . . 187 ASP CA . 51340 1 1411 . 1 . 1 132 132 ASP CB C 13 41.039 0.008 . 1 . . . . . 187 ASP CB . 51340 1 1412 . 1 . 1 132 132 ASP N N 15 121.165 0.000 . 1 . . . . . 187 ASP N . 51340 1 1413 . 1 . 1 133 133 ILE H H 1 8.016 0.000 . 1 . . . . . 188 ILE H . 51340 1 1414 . 1 . 1 133 133 ILE HA H 1 4.157 0.000 . 1 . . . . . 188 ILE HA . 51340 1 1415 . 1 . 1 133 133 ILE HB H 1 1.914 0.000 . 1 . . . . . 188 ILE HB . 51340 1 1416 . 1 . 1 133 133 ILE HG12 H 1 1.404 0.000 . 2 . . . . . 188 ILE HG12 . 51340 1 1417 . 1 . 1 133 133 ILE HG13 H 1 1.178 0.000 . 2 . . . . . 188 ILE HG13 . 51340 1 1418 . 1 . 1 133 133 ILE HG21 H 1 0.886 0.000 . 1 . . . . . 188 ILE HG21 . 51340 1 1419 . 1 . 1 133 133 ILE HG22 H 1 0.886 0.000 . 1 . . . . . 188 ILE HG22 . 51340 1 1420 . 1 . 1 133 133 ILE HG23 H 1 0.886 0.000 . 1 . . . . . 188 ILE HG23 . 51340 1 1421 . 1 . 1 133 133 ILE HD11 H 1 0.849 0.000 . 1 . . . . . 188 ILE HD11 . 51340 1 1422 . 1 . 1 133 133 ILE HD12 H 1 0.849 0.000 . 1 . . . . . 188 ILE HD12 . 51340 1 1423 . 1 . 1 133 133 ILE HD13 H 1 0.849 0.000 . 1 . . . . . 188 ILE HD13 . 51340 1 1424 . 1 . 1 133 133 ILE C C 13 176.576 0.004 . 1 . . . . . 188 ILE C . 51340 1 1425 . 1 . 1 133 133 ILE CA C 13 61.561 0.000 . 1 . . . . . 188 ILE CA . 51340 1 1426 . 1 . 1 133 133 ILE CB C 13 38.571 0.000 . 1 . . . . . 188 ILE CB . 51340 1 1427 . 1 . 1 133 133 ILE CG1 C 13 27.239 0.000 . 1 . . . . . 188 ILE CG1 . 51340 1 1428 . 1 . 1 133 133 ILE CG2 C 13 17.750 0.000 . 1 . . . . . 188 ILE CG2 . 51340 1 1429 . 1 . 1 133 133 ILE CD1 C 13 13.239 0.000 . 1 . . . . . 188 ILE CD1 . 51340 1 1430 . 1 . 1 133 133 ILE N N 15 121.032 0.001 . 1 . . . . . 188 ILE N . 51340 1 1431 . 1 . 1 134 134 ARG H H 1 8.360 0.001 . 1 . . . . . 189 ARG H . 51340 1 1432 . 1 . 1 134 134 ARG HA H 1 4.321 0.000 . 1 . . . . . 189 ARG HA . 51340 1 1433 . 1 . 1 134 134 ARG HB2 H 1 1.779 0.000 . 2 . . . . . 189 ARG HB2 . 51340 1 1434 . 1 . 1 134 134 ARG HB3 H 1 1.900 0.000 . 2 . . . . . 189 ARG HB3 . 51340 1 1435 . 1 . 1 134 134 ARG HG2 H 1 1.649 0.000 . 1 . . . . . 189 ARG HG2 . 51340 1 1436 . 1 . 1 134 134 ARG HG3 H 1 1.649 0.000 . 1 . . . . . 189 ARG HG3 . 51340 1 1437 . 1 . 1 134 134 ARG HD2 H 1 3.203 0.000 . 1 . . . . . 189 ARG HD2 . 51340 1 1438 . 1 . 1 134 134 ARG HD3 H 1 3.203 0.000 . 1 . . . . . 189 ARG HD3 . 51340 1 1439 . 1 . 1 134 134 ARG C C 13 177.049 0.000 . 1 . . . . . 189 ARG C . 51340 1 1440 . 1 . 1 134 134 ARG CA C 13 56.402 0.000 . 1 . . . . . 189 ARG CA . 51340 1 1441 . 1 . 1 134 134 ARG CB C 13 30.681 0.002 . 1 . . . . . 189 ARG CB . 51340 1 1442 . 1 . 1 134 134 ARG CG C 13 26.964 0.000 . 1 . . . . . 189 ARG CG . 51340 1 1443 . 1 . 1 134 134 ARG CD C 13 43.482 0.000 . 1 . . . . . 189 ARG CD . 51340 1 1444 . 1 . 1 134 134 ARG N N 15 123.969 0.021 . 1 . . . . . 189 ARG N . 51340 1 1445 . 1 . 1 135 135 GLY H H 1 8.314 0.001 . 1 . . . . . 190 GLY H . 51340 1 1446 . 1 . 1 135 135 GLY HA2 H 1 3.945 0.000 . 1 . . . . . 190 GLY HA2 . 51340 1 1447 . 1 . 1 135 135 GLY HA3 H 1 3.945 0.000 . 1 . . . . . 190 GLY HA3 . 51340 1 1448 . 1 . 1 135 135 GLY C C 13 174.034 0.000 . 1 . . . . . 190 GLY C . 51340 1 1449 . 1 . 1 135 135 GLY CA C 13 45.496 0.000 . 1 . . . . . 190 GLY CA . 51340 1 1450 . 1 . 1 135 135 GLY N N 15 109.222 0.001 . 1 . . . . . 190 GLY N . 51340 1 1451 . 1 . 1 136 136 ASN H H 1 8.347 0.000 . 1 . . . . . 191 ASN H . 51340 1 1452 . 1 . 1 136 136 ASN HA H 1 4.691 0.000 . 1 . . . . . 191 ASN HA . 51340 1 1453 . 1 . 1 136 136 ASN HB2 H 1 2.806 0.000 . 2 . . . . . 191 ASN HB2 . 51340 1 1454 . 1 . 1 136 136 ASN HB3 H 1 2.765 0.000 . 2 . . . . . 191 ASN HB3 . 51340 1 1455 . 1 . 1 136 136 ASN HD21 H 1 6.890 0.000 . 1 . . . . . 191 ASN HD21 . 51340 1 1456 . 1 . 1 136 136 ASN HD22 H 1 7.607 0.000 . 1 . . . . . 191 ASN HD22 . 51340 1 1457 . 1 . 1 136 136 ASN C C 13 175.439 0.000 . 1 . . . . . 191 ASN C . 51340 1 1458 . 1 . 1 136 136 ASN CA C 13 53.340 0.000 . 1 . . . . . 191 ASN CA . 51340 1 1459 . 1 . 1 136 136 ASN CB C 13 38.996 0.002 . 1 . . . . . 191 ASN CB . 51340 1 1460 . 1 . 1 136 136 ASN CG C 13 177.282 0.001 . 1 . . . . . 191 ASN CG . 51340 1 1461 . 1 . 1 136 136 ASN N N 15 118.713 0.000 . 1 . . . . . 191 ASN N . 51340 1 1462 . 1 . 1 136 136 ASN ND2 N 15 112.832 0.013 . 1 . . . . . 191 ASN ND2 . 51340 1 1463 . 1 . 1 137 137 GLN H H 1 8.405 0.000 . 1 . . . . . 192 GLN H . 51340 1 1464 . 1 . 1 137 137 GLN HA H 1 4.282 0.000 . 1 . . . . . 192 GLN HA . 51340 1 1465 . 1 . 1 137 137 GLN HB2 H 1 2.095 0.000 . 2 . . . . . 192 GLN HB2 . 51340 1 1466 . 1 . 1 137 137 GLN HB3 H 1 1.945 0.000 . 2 . . . . . 192 GLN HB3 . 51340 1 1467 . 1 . 1 137 137 GLN HG2 H 1 2.300 0.000 . 1 . . . . . 192 GLN HG2 . 51340 1 1468 . 1 . 1 137 137 GLN HG3 H 1 2.300 0.000 . 1 . . . . . 192 GLN HG3 . 51340 1 1469 . 1 . 1 137 137 GLN HE21 H 1 7.480 0.001 . 1 . . . . . 192 GLN HE21 . 51340 1 1470 . 1 . 1 137 137 GLN HE22 H 1 6.851 0.000 . 1 . . . . . 192 GLN HE22 . 51340 1 1471 . 1 . 1 137 137 GLN C C 13 176.108 0.001 . 1 . . . . . 192 GLN C . 51340 1 1472 . 1 . 1 137 137 GLN CA C 13 56.342 0.000 . 1 . . . . . 192 GLN CA . 51340 1 1473 . 1 . 1 137 137 GLN CB C 13 29.286 0.001 . 1 . . . . . 192 GLN CB . 51340 1 1474 . 1 . 1 137 137 GLN CG C 13 33.947 0.000 . 1 . . . . . 192 GLN CG . 51340 1 1475 . 1 . 1 137 137 GLN CD C 13 180.623 0.001 . 1 . . . . . 192 GLN CD . 51340 1 1476 . 1 . 1 137 137 GLN N N 15 120.103 0.002 . 1 . . . . . 192 GLN N . 51340 1 1477 . 1 . 1 137 137 GLN NE2 N 15 112.487 0.044 . 1 . . . . . 192 GLN NE2 . 51340 1 1478 . 1 . 1 138 138 GLY H H 1 8.291 0.000 . 1 . . . . . 193 GLY H . 51340 1 1479 . 1 . 1 138 138 GLY HA2 H 1 3.834 0.000 . 2 . . . . . 193 GLY HA2 . 51340 1 1480 . 1 . 1 138 138 GLY HA3 H 1 3.794 0.000 . 2 . . . . . 193 GLY HA3 . 51340 1 1481 . 1 . 1 138 138 GLY C C 13 173.274 0.001 . 1 . . . . . 193 GLY C . 51340 1 1482 . 1 . 1 138 138 GLY CA C 13 45.141 0.000 . 1 . . . . . 193 GLY CA . 51340 1 1483 . 1 . 1 138 138 GLY N N 15 109.164 0.001 . 1 . . . . . 193 GLY N . 51340 1 1484 . 1 . 1 139 139 PHE H H 1 7.970 0.000 . 1 . . . . . 194 PHE H . 51340 1 1485 . 1 . 1 139 139 PHE HA H 1 4.880 0.000 . 1 . . . . . 194 PHE HA . 51340 1 1486 . 1 . 1 139 139 PHE HB2 H 1 3.228 0.000 . 2 . . . . . 194 PHE HB2 . 51340 1 1487 . 1 . 1 139 139 PHE HB3 H 1 2.902 0.000 . 2 . . . . . 194 PHE HB3 . 51340 1 1488 . 1 . 1 139 139 PHE C C 13 174.007 0.000 . 1 . . . . . 194 PHE C . 51340 1 1489 . 1 . 1 139 139 PHE CA C 13 55.639 0.000 . 1 . . . . . 194 PHE CA . 51340 1 1490 . 1 . 1 139 139 PHE CB C 13 38.913 0.000 . 1 . . . . . 194 PHE CB . 51340 1 1491 . 1 . 1 139 139 PHE N N 15 120.783 0.001 . 1 . . . . . 194 PHE N . 51340 1 stop_ save_