data_26530 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26530 _Entry.Title ; NMR assignment of intrinsically disordered self-processing module of FrpC protein of Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-06 _Entry.Accession_date 2015-03-06 _Entry.Last_release_date 2015-12-04 _Entry.Original_release_date 2015-12-04 _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 . _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 Vojtech Kuban . . . . 26530 2 Lukas Zidek . . . . 26530 3 Jiri Novacek . . . . 26530 4 Ladislav Bumba . . . . 26530 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CEITEC, MU' . 26530 2 . 'Institute of Microbiology of the ASCR' . 26530 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26530 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 26530 '15N chemical shifts' 154 26530 '1H chemical shifts' 608 26530 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 . . 2022-04-01 2015-03-06 update BMRB 'update Polymer_type' 26530 1 . . 2015-12-04 2015-03-06 original author 'original release' 26530 stop_ save_ ############### # Citations # ############### save_citace1 _Citation.Sf_category citations _Citation.Sf_framecode citace1 _Citation.Entry_ID 26530 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26138689 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR assignment of intrinsically disordered self-processing module of the FrpC protein of Neisseria meningitidis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 435 _Citation.Page_last 440 _Citation.Year 2015 _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 Vojtech Kuban . . . . 26530 1 2 Jiri Novacek . . . . 26530 1 3 Ladislav Bumba . . . . 26530 1 4 Lukas Zidek . . . . 26530 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FrpC 26530 1 'Intrinsically disordered proteins' 26530 1 'Neisseria meningitidis' 26530 1 'Resolution-enhanced spectroscopy' 26530 1 'Resonance assignment' 26530 1 'Self-processing module' 26530 1 'Sparse sampling' 26530 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26530 _Assembly.ID 1 _Assembly.Name SPM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SPM 1 $Self-processing_module_of_FrpC A . yes 'intrinsically disordered' no no . . . 26530 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Self-processing_module_of_FrpC _Entity.Sf_category entity _Entity.Sf_framecode Self-processing_module_of_FrpC _Entity.Entry_ID 26530 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Self-processing_module_of_FrpC _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 ; PLALDLDGDGIETVATKGFS GSLFDHNRDGIRTATGWVSA DDGLLVRDLNGNGIIDNGAE LFGDNTKLADGSFAKHGYAA LAELDSNGDNIINAADAAFQ SLRVWQDLNQDGISQANELR TLEELGIQSLDLAYKDVNKN LGNGNTLAQQGSYTKTNGTT AKMGDLLLAADNLHSRFLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PRO . 26530 1 2 2 LEU . 26530 1 3 3 ALA . 26530 1 4 4 LEU . 26530 1 5 5 ASP . 26530 1 6 6 LEU . 26530 1 7 7 ASP . 26530 1 8 8 GLY . 26530 1 9 9 ASP . 26530 1 10 10 GLY . 26530 1 11 11 ILE . 26530 1 12 12 GLU . 26530 1 13 13 THR . 26530 1 14 14 VAL . 26530 1 15 15 ALA . 26530 1 16 16 THR . 26530 1 17 17 LYS . 26530 1 18 18 GLY . 26530 1 19 19 PHE . 26530 1 20 20 SER . 26530 1 21 21 GLY . 26530 1 22 22 SER . 26530 1 23 23 LEU . 26530 1 24 24 PHE . 26530 1 25 25 ASP . 26530 1 26 26 HIS . 26530 1 27 27 ASN . 26530 1 28 28 ARG . 26530 1 29 29 ASP . 26530 1 30 30 GLY . 26530 1 31 31 ILE . 26530 1 32 32 ARG . 26530 1 33 33 THR . 26530 1 34 34 ALA . 26530 1 35 35 THR . 26530 1 36 36 GLY . 26530 1 37 37 TRP . 26530 1 38 38 VAL . 26530 1 39 39 SER . 26530 1 40 40 ALA . 26530 1 41 41 ASP . 26530 1 42 42 ASP . 26530 1 43 43 GLY . 26530 1 44 44 LEU . 26530 1 45 45 LEU . 26530 1 46 46 VAL . 26530 1 47 47 ARG . 26530 1 48 48 ASP . 26530 1 49 49 LEU . 26530 1 50 50 ASN . 26530 1 51 51 GLY . 26530 1 52 52 ASN . 26530 1 53 53 GLY . 26530 1 54 54 ILE . 26530 1 55 55 ILE . 26530 1 56 56 ASP . 26530 1 57 57 ASN . 26530 1 58 58 GLY . 26530 1 59 59 ALA . 26530 1 60 60 GLU . 26530 1 61 61 LEU . 26530 1 62 62 PHE . 26530 1 63 63 GLY . 26530 1 64 64 ASP . 26530 1 65 65 ASN . 26530 1 66 66 THR . 26530 1 67 67 LYS . 26530 1 68 68 LEU . 26530 1 69 69 ALA . 26530 1 70 70 ASP . 26530 1 71 71 GLY . 26530 1 72 72 SER . 26530 1 73 73 PHE . 26530 1 74 74 ALA . 26530 1 75 75 LYS . 26530 1 76 76 HIS . 26530 1 77 77 GLY . 26530 1 78 78 TYR . 26530 1 79 79 ALA . 26530 1 80 80 ALA . 26530 1 81 81 LEU . 26530 1 82 82 ALA . 26530 1 83 83 GLU . 26530 1 84 84 LEU . 26530 1 85 85 ASP . 26530 1 86 86 SER . 26530 1 87 87 ASN . 26530 1 88 88 GLY . 26530 1 89 89 ASP . 26530 1 90 90 ASN . 26530 1 91 91 ILE . 26530 1 92 92 ILE . 26530 1 93 93 ASN . 26530 1 94 94 ALA . 26530 1 95 95 ALA . 26530 1 96 96 ASP . 26530 1 97 97 ALA . 26530 1 98 98 ALA . 26530 1 99 99 PHE . 26530 1 100 100 GLN . 26530 1 101 101 SER . 26530 1 102 102 LEU . 26530 1 103 103 ARG . 26530 1 104 104 VAL . 26530 1 105 105 TRP . 26530 1 106 106 GLN . 26530 1 107 107 ASP . 26530 1 108 108 LEU . 26530 1 109 109 ASN . 26530 1 110 110 GLN . 26530 1 111 111 ASP . 26530 1 112 112 GLY . 26530 1 113 113 ILE . 26530 1 114 114 SER . 26530 1 115 115 GLN . 26530 1 116 116 ALA . 26530 1 117 117 ASN . 26530 1 118 118 GLU . 26530 1 119 119 LEU . 26530 1 120 120 ARG . 26530 1 121 121 THR . 26530 1 122 122 LEU . 26530 1 123 123 GLU . 26530 1 124 124 GLU . 26530 1 125 125 LEU . 26530 1 126 126 GLY . 26530 1 127 127 ILE . 26530 1 128 128 GLN . 26530 1 129 129 SER . 26530 1 130 130 LEU . 26530 1 131 131 ASP . 26530 1 132 132 LEU . 26530 1 133 133 ALA . 26530 1 134 134 TYR . 26530 1 135 135 LYS . 26530 1 136 136 ASP . 26530 1 137 137 VAL . 26530 1 138 138 ASN . 26530 1 139 139 LYS . 26530 1 140 140 ASN . 26530 1 141 141 LEU . 26530 1 142 142 GLY . 26530 1 143 143 ASN . 26530 1 144 144 GLY . 26530 1 145 145 ASN . 26530 1 146 146 THR . 26530 1 147 147 LEU . 26530 1 148 148 ALA . 26530 1 149 149 GLN . 26530 1 150 150 GLN . 26530 1 151 151 GLY . 26530 1 152 152 SER . 26530 1 153 153 TYR . 26530 1 154 154 THR . 26530 1 155 155 LYS . 26530 1 156 156 THR . 26530 1 157 157 ASN . 26530 1 158 158 GLY . 26530 1 159 159 THR . 26530 1 160 160 THR . 26530 1 161 161 ALA . 26530 1 162 162 LYS . 26530 1 163 163 MET . 26530 1 164 164 GLY . 26530 1 165 165 ASP . 26530 1 166 166 LEU . 26530 1 167 167 LEU . 26530 1 168 168 LEU . 26530 1 169 169 ALA . 26530 1 170 170 ALA . 26530 1 171 171 ASP . 26530 1 172 172 ASN . 26530 1 173 173 LEU . 26530 1 174 174 HIS . 26530 1 175 175 SER . 26530 1 176 176 ARG . 26530 1 177 177 PHE . 26530 1 178 178 LEU . 26530 1 179 179 GLU . 26530 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 . PRO 1 1 26530 1 . LEU 2 2 26530 1 . ALA 3 3 26530 1 . LEU 4 4 26530 1 . ASP 5 5 26530 1 . LEU 6 6 26530 1 . ASP 7 7 26530 1 . GLY 8 8 26530 1 . ASP 9 9 26530 1 . GLY 10 10 26530 1 . ILE 11 11 26530 1 . GLU 12 12 26530 1 . THR 13 13 26530 1 . VAL 14 14 26530 1 . ALA 15 15 26530 1 . THR 16 16 26530 1 . LYS 17 17 26530 1 . GLY 18 18 26530 1 . PHE 19 19 26530 1 . SER 20 20 26530 1 . GLY 21 21 26530 1 . SER 22 22 26530 1 . LEU 23 23 26530 1 . PHE 24 24 26530 1 . ASP 25 25 26530 1 . HIS 26 26 26530 1 . ASN 27 27 26530 1 . ARG 28 28 26530 1 . ASP 29 29 26530 1 . GLY 30 30 26530 1 . ILE 31 31 26530 1 . ARG 32 32 26530 1 . THR 33 33 26530 1 . ALA 34 34 26530 1 . THR 35 35 26530 1 . GLY 36 36 26530 1 . TRP 37 37 26530 1 . VAL 38 38 26530 1 . SER 39 39 26530 1 . ALA 40 40 26530 1 . ASP 41 41 26530 1 . ASP 42 42 26530 1 . GLY 43 43 26530 1 . LEU 44 44 26530 1 . LEU 45 45 26530 1 . VAL 46 46 26530 1 . ARG 47 47 26530 1 . ASP 48 48 26530 1 . LEU 49 49 26530 1 . ASN 50 50 26530 1 . GLY 51 51 26530 1 . ASN 52 52 26530 1 . GLY 53 53 26530 1 . ILE 54 54 26530 1 . ILE 55 55 26530 1 . ASP 56 56 26530 1 . ASN 57 57 26530 1 . GLY 58 58 26530 1 . ALA 59 59 26530 1 . GLU 60 60 26530 1 . LEU 61 61 26530 1 . PHE 62 62 26530 1 . GLY 63 63 26530 1 . ASP 64 64 26530 1 . ASN 65 65 26530 1 . THR 66 66 26530 1 . LYS 67 67 26530 1 . LEU 68 68 26530 1 . ALA 69 69 26530 1 . ASP 70 70 26530 1 . GLY 71 71 26530 1 . SER 72 72 26530 1 . PHE 73 73 26530 1 . ALA 74 74 26530 1 . LYS 75 75 26530 1 . HIS 76 76 26530 1 . GLY 77 77 26530 1 . TYR 78 78 26530 1 . ALA 79 79 26530 1 . ALA 80 80 26530 1 . LEU 81 81 26530 1 . ALA 82 82 26530 1 . GLU 83 83 26530 1 . LEU 84 84 26530 1 . ASP 85 85 26530 1 . SER 86 86 26530 1 . ASN 87 87 26530 1 . GLY 88 88 26530 1 . ASP 89 89 26530 1 . ASN 90 90 26530 1 . ILE 91 91 26530 1 . ILE 92 92 26530 1 . ASN 93 93 26530 1 . ALA 94 94 26530 1 . ALA 95 95 26530 1 . ASP 96 96 26530 1 . ALA 97 97 26530 1 . ALA 98 98 26530 1 . PHE 99 99 26530 1 . GLN 100 100 26530 1 . SER 101 101 26530 1 . LEU 102 102 26530 1 . ARG 103 103 26530 1 . VAL 104 104 26530 1 . TRP 105 105 26530 1 . GLN 106 106 26530 1 . ASP 107 107 26530 1 . LEU 108 108 26530 1 . ASN 109 109 26530 1 . GLN 110 110 26530 1 . ASP 111 111 26530 1 . GLY 112 112 26530 1 . ILE 113 113 26530 1 . SER 114 114 26530 1 . GLN 115 115 26530 1 . ALA 116 116 26530 1 . ASN 117 117 26530 1 . GLU 118 118 26530 1 . LEU 119 119 26530 1 . ARG 120 120 26530 1 . THR 121 121 26530 1 . LEU 122 122 26530 1 . GLU 123 123 26530 1 . GLU 124 124 26530 1 . LEU 125 125 26530 1 . GLY 126 126 26530 1 . ILE 127 127 26530 1 . GLN 128 128 26530 1 . SER 129 129 26530 1 . LEU 130 130 26530 1 . ASP 131 131 26530 1 . LEU 132 132 26530 1 . ALA 133 133 26530 1 . TYR 134 134 26530 1 . LYS 135 135 26530 1 . ASP 136 136 26530 1 . VAL 137 137 26530 1 . ASN 138 138 26530 1 . LYS 139 139 26530 1 . ASN 140 140 26530 1 . LEU 141 141 26530 1 . GLY 142 142 26530 1 . ASN 143 143 26530 1 . GLY 144 144 26530 1 . ASN 145 145 26530 1 . THR 146 146 26530 1 . LEU 147 147 26530 1 . ALA 148 148 26530 1 . GLN 149 149 26530 1 . GLN 150 150 26530 1 . GLY 151 151 26530 1 . SER 152 152 26530 1 . TYR 153 153 26530 1 . THR 154 154 26530 1 . LYS 155 155 26530 1 . THR 156 156 26530 1 . ASN 157 157 26530 1 . GLY 158 158 26530 1 . THR 159 159 26530 1 . THR 160 160 26530 1 . ALA 161 161 26530 1 . LYS 162 162 26530 1 . MET 163 163 26530 1 . GLY 164 164 26530 1 . ASP 165 165 26530 1 . LEU 166 166 26530 1 . LEU 167 167 26530 1 . LEU 168 168 26530 1 . ALA 169 169 26530 1 . ALA 170 170 26530 1 . ASP 171 171 26530 1 . ASN 172 172 26530 1 . LEU 173 173 26530 1 . HIS 174 174 26530 1 . SER 175 175 26530 1 . ARG 176 176 26530 1 . PHE 177 177 26530 1 . LEU 178 178 26530 1 . GLU 179 179 26530 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26530 _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 $Self-processing_module_of_FrpC . 487 organism . 'Neisseria meningitidis' b-proteobacteria . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . 26530 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26530 _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 $Self-processing_module_of_FrpC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET42b . . . 26530 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26530 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'Self-processing module of FrpC' '[U-100% 13C; U-100% 15N]' . . 1 $Self-processing_module_of_FrpC . . 0.35 . . mM . . . . 26530 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26530 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . '% v/v' . . . . 26530 1 4 TRIS 'natural abundance' . . . . . . 5 . . mM . . . . 26530 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26530 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26530 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26530 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 55 . mM 26530 1 pH 7.4 . pH 26530 1 pressure 1 . atm 26530 1 temperature 303.2 . K 26530 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26530 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26530 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 26530 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26530 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26530 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26530 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26530 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26530 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26530 3 stop_ save_ save_MFT _Software.Sf_category software _Software.Sf_framecode MFT _Software.Entry_ID 26530 _Software.ID 4 _Software.Type . _Software.Name MFT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'W. Kozminski' . . 26530 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26530 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26530 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26530 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26530 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26530 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 2 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 4 '4D HCBCACON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 5 '4D HCBCANCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 6 '5D HN(CA)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26530 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26530 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 26530 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26530 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26530 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26530 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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 2 '2D CON' . . . 26530 1 3 '3D HNCO' . . . 26530 1 4 '4D HCBCACON' . . . 26530 1 5 '4D HCBCANCO' . . . 26530 1 6 '5D HN(CA)CONH' . . . 26530 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 PRO HA H 1 4.355 0.000 . 1 . 1 . . . 1 PRO HA . 26530 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.031 0.000 . 2 . 1 . . . 1 PRO HB2 . 26530 1 3 . 1 . 1 1 1 PRO HB3 H 1 2.433 0.000 . 2 . 1 . . . 1 PRO HB3 . 26530 1 4 . 1 . 1 1 1 PRO C C 13 172.656 0.000 . 1 . 2 . . . 1 PRO C . 26530 1 5 . 1 . 1 1 1 PRO CA C 13 62.327 0.000 . 1 . 1 . . . 1 PRO CA . 26530 1 6 . 1 . 1 1 1 PRO CB C 13 32.579 0.005 . 1 . 2 . . . 1 PRO CB . 26530 1 7 . 1 . 1 2 2 LEU HA H 1 4.343 0.016 . 1 . 3 . . . 2 LEU HA . 26530 1 8 . 1 . 1 2 2 LEU HB2 H 1 1.589 0.006 . 1 . 3 . . . 2 LEU HB2 . 26530 1 9 . 1 . 1 2 2 LEU HB3 H 1 1.589 0.006 . 1 . 3 . . . 2 LEU HB3 . 26530 1 10 . 1 . 1 2 2 LEU C C 13 176.655 0.001 . 1 . 3 . . . 2 LEU C . 26530 1 11 . 1 . 1 2 2 LEU CA C 13 55.477 0.023 . 1 . 3 . . . 2 LEU CA . 26530 1 12 . 1 . 1 2 2 LEU CB C 13 42.605 0.036 . 1 . 3 . . . 2 LEU CB . 26530 1 13 . 1 . 1 2 2 LEU N N 15 122.010 0.000 . 1 . 2 . . . 2 LEU N . 26530 1 14 . 1 . 1 3 3 ALA H H 1 8.370 0.003 . 1 . 3 . . . 3 ALA H . 26530 1 15 . 1 . 1 3 3 ALA HA H 1 4.321 0.003 . 1 . 3 . . . 3 ALA HA . 26530 1 16 . 1 . 1 3 3 ALA HB1 H 1 1.368 0.000 . 1 . 3 . . . 3 ALA MB . 26530 1 17 . 1 . 1 3 3 ALA HB2 H 1 1.368 0.000 . 1 . 3 . . . 3 ALA MB . 26530 1 18 . 1 . 1 3 3 ALA HB3 H 1 1.368 0.000 . 1 . 3 . . . 3 ALA MB . 26530 1 19 . 1 . 1 3 3 ALA C C 13 177.200 0.004 . 1 . 3 . . . 3 ALA C . 26530 1 20 . 1 . 1 3 3 ALA CA C 13 52.351 0.004 . 1 . 3 . . . 3 ALA CA . 26530 1 21 . 1 . 1 3 3 ALA CB C 13 19.297 0.038 . 1 . 3 . . . 3 ALA CB . 26530 1 22 . 1 . 1 3 3 ALA N N 15 125.454 0.010 . 1 . 5 . . . 3 ALA N . 26530 1 23 . 1 . 1 4 4 LEU H H 1 8.123 0.001 . 1 . 3 . . . 4 LEU H . 26530 1 24 . 1 . 1 4 4 LEU HA H 1 4.321 0.005 . 1 . 3 . . . 4 LEU HA . 26530 1 25 . 1 . 1 4 4 LEU HB2 H 1 1.568 0.010 . 1 . 3 . . . 4 LEU HB2 . 26530 1 26 . 1 . 1 4 4 LEU HB3 H 1 1.568 0.010 . 1 . 3 . . . 4 LEU HB3 . 26530 1 27 . 1 . 1 4 4 LEU C C 13 176.900 0.002 . 1 . 3 . . . 4 LEU C . 26530 1 28 . 1 . 1 4 4 LEU CA C 13 55.152 0.061 . 1 . 3 . . . 4 LEU CA . 26530 1 29 . 1 . 1 4 4 LEU CB C 13 42.640 0.022 . 1 . 3 . . . 4 LEU CB . 26530 1 30 . 1 . 1 4 4 LEU N N 15 121.278 0.009 . 1 . 5 . . . 4 LEU N . 26530 1 31 . 1 . 1 5 5 ASP H H 1 8.274 0.000 . 1 . 3 . . . 5 ASP H . 26530 1 32 . 1 . 1 5 5 ASP HA H 1 4.592 0.004 . 1 . 3 . . . 5 ASP HA . 26530 1 33 . 1 . 1 5 5 ASP HB2 H 1 2.643 0.014 . 1 . 3 . . . 5 ASP HB2 . 26530 1 34 . 1 . 1 5 5 ASP HB3 H 1 2.643 0.014 . 1 . 3 . . . 5 ASP HB3 . 26530 1 35 . 1 . 1 5 5 ASP C C 13 176.101 0.001 . 1 . 3 . . . 5 ASP C . 26530 1 36 . 1 . 1 5 5 ASP CA C 13 54.199 0.023 . 1 . 3 . . . 5 ASP CA . 26530 1 37 . 1 . 1 5 5 ASP CB C 13 41.000 0.017 . 1 . 3 . . . 5 ASP CB . 26530 1 38 . 1 . 1 5 5 ASP N N 15 120.739 0.010 . 1 . 5 . . . 5 ASP N . 26530 1 39 . 1 . 1 6 6 LEU H H 1 8.088 0.000 . 1 . 3 . . . 6 LEU H . 26530 1 40 . 1 . 1 6 6 LEU HA H 1 4.324 0.011 . 1 . 3 . . . 6 LEU HA . 26530 1 41 . 1 . 1 6 6 LEU HB2 H 1 1.607 0.009 . 1 . 3 . . . 6 LEU HB2 . 26530 1 42 . 1 . 1 6 6 LEU HB3 H 1 1.607 0.009 . 1 . 3 . . . 6 LEU HB3 . 26530 1 43 . 1 . 1 6 6 LEU C C 13 177.245 0.003 . 1 . 3 . . . 6 LEU C . 26530 1 44 . 1 . 1 6 6 LEU CA C 13 55.293 0.013 . 1 . 3 . . . 6 LEU CA . 26530 1 45 . 1 . 1 6 6 LEU CB C 13 42.542 0.007 . 1 . 3 . . . 6 LEU CB . 26530 1 46 . 1 . 1 6 6 LEU N N 15 122.214 0.004 . 1 . 5 . . . 6 LEU N . 26530 1 47 . 1 . 1 7 7 ASP H H 1 8.277 0.000 . 1 . 3 . . . 7 ASP H . 26530 1 48 . 1 . 1 7 7 ASP HA H 1 4.608 0.007 . 1 . 3 . . . 7 ASP HA . 26530 1 49 . 1 . 1 7 7 ASP HB2 H 1 2.686 0.018 . 1 . 3 . . . 7 ASP HB2 . 26530 1 50 . 1 . 1 7 7 ASP HB3 H 1 2.686 0.018 . 1 . 3 . . . 7 ASP HB3 . 26530 1 51 . 1 . 1 7 7 ASP C C 13 176.807 0.000 . 1 . 3 . . . 7 ASP C . 26530 1 52 . 1 . 1 7 7 ASP CA C 13 54.546 0.044 . 1 . 3 . . . 7 ASP CA . 26530 1 53 . 1 . 1 7 7 ASP CB C 13 41.426 0.074 . 1 . 3 . . . 7 ASP CB . 26530 1 54 . 1 . 1 7 7 ASP N N 15 120.537 0.006 . 1 . 5 . . . 7 ASP N . 26530 1 55 . 1 . 1 8 8 GLY H H 1 8.188 0.002 . 1 . 3 . . . 8 GLY H . 26530 1 56 . 1 . 1 8 8 GLY HA2 H 1 3.945 0.000 . 1 . 3 . . . 8 GLY HA2 . 26530 1 57 . 1 . 1 8 8 GLY HA3 H 1 3.945 0.000 . 1 . 3 . . . 8 GLY HA3 . 26530 1 58 . 1 . 1 8 8 GLY C C 13 174.141 0.002 . 1 . 3 . . . 8 GLY C . 26530 1 59 . 1 . 1 8 8 GLY CA C 13 45.645 0.017 . 1 . 3 . . . 8 GLY CA . 26530 1 60 . 1 . 1 8 8 GLY N N 15 109.003 0.003 . 1 . 5 . . . 8 GLY N . 26530 1 61 . 1 . 1 9 9 ASP H H 1 8.267 0.001 . 1 . 3 . . . 9 ASP H . 26530 1 62 . 1 . 1 9 9 ASP HA H 1 4.607 0.003 . 1 . 3 . . . 9 ASP HA . 26530 1 63 . 1 . 1 9 9 ASP HB2 H 1 2.673 0.004 . 1 . 3 . . . 9 ASP HB2 . 26530 1 64 . 1 . 1 9 9 ASP HB3 H 1 2.673 0.004 . 1 . 3 . . . 9 ASP HB3 . 26530 1 65 . 1 . 1 9 9 ASP C C 13 176.972 0.001 . 1 . 3 . . . 9 ASP C . 26530 1 66 . 1 . 1 9 9 ASP CA C 13 54.594 0.009 . 1 . 3 . . . 9 ASP CA . 26530 1 67 . 1 . 1 9 9 ASP CB C 13 41.409 0.026 . 1 . 3 . . . 9 ASP CB . 26530 1 68 . 1 . 1 9 9 ASP N N 15 120.305 0.008 . 1 . 5 . . . 9 ASP N . 26530 1 69 . 1 . 1 10 10 GLY H H 1 8.386 0.003 . 1 . 3 . . . 10 GLY H . 26530 1 70 . 1 . 1 10 10 GLY HA2 H 1 3.932 0.001 . 1 . 3 . . . 10 GLY HA2 . 26530 1 71 . 1 . 1 10 10 GLY HA3 H 1 3.932 0.001 . 1 . 3 . . . 10 GLY HA3 . 26530 1 72 . 1 . 1 10 10 GLY C C 13 174.315 0.004 . 1 . 3 . . . 10 GLY C . 26530 1 73 . 1 . 1 10 10 GLY CA C 13 45.687 0.019 . 1 . 3 . . . 10 GLY CA . 26530 1 74 . 1 . 1 10 10 GLY N N 15 109.125 0.016 . 1 . 5 . . . 10 GLY N . 26530 1 75 . 1 . 1 11 11 ILE H H 1 7.936 0.001 . 1 . 3 . . . 11 ILE H . 26530 1 76 . 1 . 1 11 11 ILE HA H 1 4.142 0.004 . 1 . 3 . . . 11 ILE HA . 26530 1 77 . 1 . 1 11 11 ILE HB H 1 1.881 0.005 . 1 . 3 . . . 11 ILE HB . 26530 1 78 . 1 . 1 11 11 ILE C C 13 176.413 0.002 . 1 . 3 . . . 11 ILE C . 26530 1 79 . 1 . 1 11 11 ILE CA C 13 61.300 0.007 . 1 . 3 . . . 11 ILE CA . 26530 1 80 . 1 . 1 11 11 ILE CB C 13 38.648 0.059 . 1 . 3 . . . 11 ILE CB . 26530 1 81 . 1 . 1 11 11 ILE N N 15 119.988 0.003 . 1 . 5 . . . 11 ILE N . 26530 1 82 . 1 . 1 12 12 GLU H H 1 8.553 0.001 . 1 . 3 . . . 12 GLU H . 26530 1 83 . 1 . 1 12 12 GLU HA H 1 4.337 0.008 . 1 . 3 . . . 12 GLU HA . 26530 1 84 . 1 . 1 12 12 GLU HB2 H 1 1.999 0.002 . 1 . 3 . . . 12 GLU HB2 . 26530 1 85 . 1 . 1 12 12 GLU HB3 H 1 1.999 0.002 . 1 . 3 . . . 12 GLU HB3 . 26530 1 86 . 1 . 1 12 12 GLU C C 13 176.694 0.005 . 1 . 3 . . . 12 GLU C . 26530 1 87 . 1 . 1 12 12 GLU CA C 13 56.749 0.060 . 1 . 3 . . . 12 GLU CA . 26530 1 88 . 1 . 1 12 12 GLU CB C 13 30.307 0.060 . 1 . 3 . . . 12 GLU CB . 26530 1 89 . 1 . 1 12 12 GLU N N 15 124.513 0.007 . 1 . 5 . . . 12 GLU N . 26530 1 90 . 1 . 1 13 13 THR H H 1 8.185 0.003 . 1 . 3 . . . 13 THR H . 26530 1 91 . 1 . 1 13 13 THR HA H 1 4.344 0.008 . 1 . 3 . . . 13 THR HA . 26530 1 92 . 1 . 1 13 13 THR HB H 1 4.197 0.001 . 1 . 2 . . . 13 THR HB . 26530 1 93 . 1 . 1 13 13 THR C C 13 174.670 0.003 . 1 . 3 . . . 13 THR C . 26530 1 94 . 1 . 1 13 13 THR CA C 13 61.975 0.019 . 1 . 3 . . . 13 THR CA . 26530 1 95 . 1 . 1 13 13 THR CB C 13 69.904 0.008 . 1 . 2 . . . 13 THR CB . 26530 1 96 . 1 . 1 13 13 THR N N 15 116.006 0.006 . 1 . 5 . . . 13 THR N . 26530 1 97 . 1 . 1 14 14 VAL H H 1 8.092 0.002 . 1 . 2 . . . 14 VAL H . 26530 1 98 . 1 . 1 14 14 VAL HA H 1 4.054 0.030 . 1 . 3 . . . 14 VAL HA . 26530 1 99 . 1 . 1 14 14 VAL HB H 1 2.075 0.002 . 1 . 2 . . . 14 VAL HB . 26530 1 100 . 1 . 1 14 14 VAL C C 13 176.030 0.002 . 1 . 3 . . . 14 VAL C . 26530 1 101 . 1 . 1 14 14 VAL CA C 13 62.599 0.009 . 1 . 3 . . . 14 VAL CA . 26530 1 102 . 1 . 1 14 14 VAL CB C 13 32.686 0.029 . 1 . 2 . . . 14 VAL CB . 26530 1 103 . 1 . 1 14 14 VAL N N 15 122.175 0.008 . 1 . 4 . . . 14 VAL N . 26530 1 104 . 1 . 1 15 15 ALA H H 1 8.323 0.002 . 1 . 3 . . . 15 ALA H . 26530 1 105 . 1 . 1 15 15 ALA HA H 1 4.345 0.001 . 1 . 2 . . . 15 ALA HA . 26530 1 106 . 1 . 1 15 15 ALA HB1 H 1 1.387 0.012 . 1 . 3 . . . 15 ALA MB . 26530 1 107 . 1 . 1 15 15 ALA HB2 H 1 1.387 0.012 . 1 . 3 . . . 15 ALA MB . 26530 1 108 . 1 . 1 15 15 ALA HB3 H 1 1.387 0.012 . 1 . 3 . . . 15 ALA MB . 26530 1 109 . 1 . 1 15 15 ALA C C 13 178.043 0.001 . 1 . 3 . . . 15 ALA C . 26530 1 110 . 1 . 1 15 15 ALA CA C 13 52.782 0.018 . 1 . 2 . . . 15 ALA CA . 26530 1 111 . 1 . 1 15 15 ALA CB C 13 19.272 0.042 . 1 . 3 . . . 15 ALA CB . 26530 1 112 . 1 . 1 15 15 ALA N N 15 126.960 0.013 . 1 . 5 . . . 15 ALA N . 26530 1 113 . 1 . 1 16 16 THR H H 1 7.993 0.000 . 1 . 1 . . . 16 THR H . 26530 1 114 . 1 . 1 16 16 THR HA H 1 4.280 0.000 . 1 . 1 . . . 16 THR HA . 26530 1 115 . 1 . 1 16 16 THR HB H 1 4.194 0.000 . 1 . 1 . . . 16 THR HB . 26530 1 116 . 1 . 1 16 16 THR CA C 13 61.931 0.000 . 1 . 1 . . . 16 THR CA . 26530 1 117 . 1 . 1 16 16 THR CB C 13 69.455 0.000 . 1 . 1 . . . 16 THR CB . 26530 1 118 . 1 . 1 16 16 THR N N 15 112.945 0.026 . 1 . 3 . . . 16 THR N . 26530 1 119 . 1 . 1 17 17 LYS HA H 1 4.300 0.000 . 1 . 1 . . . 17 LYS HA . 26530 1 120 . 1 . 1 17 17 LYS HB2 H 1 1.755 0.000 . 1 . 1 . . . 17 LYS HB2 . 26530 1 121 . 1 . 1 17 17 LYS HB3 H 1 1.755 0.000 . 1 . 1 . . . 17 LYS HB3 . 26530 1 122 . 1 . 1 17 17 LYS C C 13 176.870 0.000 . 1 . 2 . . . 17 LYS C . 26530 1 123 . 1 . 1 17 17 LYS CA C 13 56.609 0.000 . 1 . 1 . . . 17 LYS CA . 26530 1 124 . 1 . 1 17 17 LYS CB C 13 33.020 0.000 . 1 . 1 . . . 17 LYS CB . 26530 1 125 . 1 . 1 18 18 GLY HA2 H 1 3.901 0.011 . 1 . 3 . . . 18 GLY HA2 . 26530 1 126 . 1 . 1 18 18 GLY HA3 H 1 3.901 0.011 . 1 . 3 . . . 18 GLY HA3 . 26530 1 127 . 1 . 1 18 18 GLY C C 13 173.747 0.001 . 1 . 3 . . . 18 GLY C . 26530 1 128 . 1 . 1 18 18 GLY CA C 13 45.278 0.104 . 1 . 3 . . . 18 GLY CA . 26530 1 129 . 1 . 1 18 18 GLY N N 15 109.602 0.000 . 1 . 2 . . . 18 GLY N . 26530 1 130 . 1 . 1 19 19 PHE H H 1 8.095 0.000 . 1 . 1 . . . 19 PHE H . 26530 1 131 . 1 . 1 19 19 PHE HA H 1 4.632 0.000 . 1 . 1 . . . 19 PHE HA . 26530 1 132 . 1 . 1 19 19 PHE HB2 H 1 3.053 0.000 . 1 . 1 . . . 19 PHE HB2 . 26530 1 133 . 1 . 1 19 19 PHE HB3 H 1 3.053 0.000 . 1 . 1 . . . 19 PHE HB3 . 26530 1 134 . 1 . 1 19 19 PHE CA C 13 57.940 0.000 . 1 . 1 . . . 19 PHE CA . 26530 1 135 . 1 . 1 19 19 PHE CB C 13 39.656 0.000 . 1 . 1 . . . 19 PHE CB . 26530 1 136 . 1 . 1 19 19 PHE N N 15 120.125 0.002 . 1 . 3 . . . 19 PHE N . 26530 1 137 . 1 . 1 20 20 SER HA H 1 4.404 0.000 . 1 . 1 . . . 20 SER HA . 26530 1 138 . 1 . 1 20 20 SER HB2 H 1 3.818 0.000 . 1 . 1 . . . 20 SER HB2 . 26530 1 139 . 1 . 1 20 20 SER HB3 H 1 3.818 0.000 . 1 . 1 . . . 20 SER HB3 . 26530 1 140 . 1 . 1 20 20 SER C C 13 174.722 0.000 . 1 . 2 . . . 20 SER C . 26530 1 141 . 1 . 1 20 20 SER CA C 13 58.383 0.000 . 1 . 1 . . . 20 SER CA . 26530 1 142 . 1 . 1 20 20 SER CB C 13 63.880 0.000 . 1 . 1 . . . 20 SER CB . 26530 1 143 . 1 . 1 21 21 GLY HA2 H 1 3.931 0.017 . 1 . 3 . . . 21 GLY HA2 . 26530 1 144 . 1 . 1 21 21 GLY HA3 H 1 3.931 0.017 . 1 . 3 . . . 21 GLY HA3 . 26530 1 145 . 1 . 1 21 21 GLY C C 13 173.986 0.000 . 1 . 2 . . . 21 GLY C . 26530 1 146 . 1 . 1 21 21 GLY CA C 13 45.429 0.067 . 1 . 3 . . . 21 GLY CA . 26530 1 147 . 1 . 1 21 21 GLY N N 15 110.406 0.000 . 1 . 2 . . . 21 GLY N . 26530 1 148 . 1 . 1 22 22 SER H H 1 8.150 0.000 . 1 . 1 . . . 22 SER H . 26530 1 149 . 1 . 1 22 22 SER HA H 1 4.432 0.005 . 1 . 3 . . . 22 SER HA . 26530 1 150 . 1 . 1 22 22 SER HB2 H 1 3.806 0.003 . 1 . 2 . . . 22 SER HB2 . 26530 1 151 . 1 . 1 22 22 SER HB3 H 1 3.806 0.003 . 1 . 2 . . . 22 SER HB3 . 26530 1 152 . 1 . 1 22 22 SER C C 13 174.646 0.003 . 1 . 3 . . . 22 SER C . 26530 1 153 . 1 . 1 22 22 SER CA C 13 58.298 0.092 . 1 . 3 . . . 22 SER CA . 26530 1 154 . 1 . 1 22 22 SER CB C 13 64.008 0.027 . 1 . 2 . . . 22 SER CB . 26530 1 155 . 1 . 1 22 22 SER N N 15 115.455 0.014 . 1 . 3 . . . 22 SER N . 26530 1 156 . 1 . 1 23 23 LEU H H 1 8.205 0.002 . 1 . 2 . . . 23 LEU H . 26530 1 157 . 1 . 1 23 23 LEU HA H 1 4.226 0.003 . 1 . 3 . . . 23 LEU HA . 26530 1 158 . 1 . 1 23 23 LEU HB2 H 1 1.396 0.028 . 1 . 3 . . . 23 LEU HB2 . 26530 1 159 . 1 . 1 23 23 LEU HB3 H 1 1.396 0.028 . 1 . 3 . . . 23 LEU HB3 . 26530 1 160 . 1 . 1 23 23 LEU C C 13 177.005 0.003 . 1 . 3 . . . 23 LEU C . 26530 1 161 . 1 . 1 23 23 LEU CA C 13 55.588 0.041 . 1 . 3 . . . 23 LEU CA . 26530 1 162 . 1 . 1 23 23 LEU CB C 13 42.205 0.112 . 1 . 3 . . . 23 LEU CB . 26530 1 163 . 1 . 1 23 23 LEU N N 15 123.710 0.002 . 1 . 4 . . . 23 LEU N . 26530 1 164 . 1 . 1 24 24 PHE H H 1 8.002 0.001 . 1 . 3 . . . 24 PHE H . 26530 1 165 . 1 . 1 24 24 PHE HA H 1 4.538 0.008 . 1 . 2 . . . 24 PHE HA . 26530 1 166 . 1 . 1 24 24 PHE HB2 H 1 2.861 0.020 . 2 . 3 . . . 24 PHE HB2 . 26530 1 167 . 1 . 1 24 24 PHE HB3 H 1 3.062 0.002 . 2 . 3 . . . 24 PHE HB3 . 26530 1 168 . 1 . 1 24 24 PHE C C 13 175.298 0.004 . 1 . 3 . . . 24 PHE C . 26530 1 169 . 1 . 1 24 24 PHE CA C 13 57.624 0.017 . 1 . 2 . . . 24 PHE CA . 26530 1 170 . 1 . 1 24 24 PHE CB C 13 39.739 0.040 . 1 . 6 . . . 24 PHE CB . 26530 1 171 . 1 . 1 24 24 PHE N N 15 119.284 0.006 . 1 . 5 . . . 24 PHE N . 26530 1 172 . 1 . 1 25 25 ASP H H 1 8.058 0.004 . 1 . 2 . . . 25 ASP H . 26530 1 173 . 1 . 1 25 25 ASP HA H 1 4.533 0.000 . 1 . 1 . . . 25 ASP HA . 26530 1 174 . 1 . 1 25 25 ASP HB2 H 1 2.606 0.000 . 1 . 1 . . . 25 ASP HB2 . 26530 1 175 . 1 . 1 25 25 ASP HB3 H 1 2.606 0.000 . 1 . 1 . . . 25 ASP HB3 . 26530 1 176 . 1 . 1 25 25 ASP CA C 13 54.100 0.000 . 1 . 1 . . . 25 ASP CA . 26530 1 177 . 1 . 1 25 25 ASP CB C 13 41.245 0.000 . 1 . 1 . . . 25 ASP CB . 26530 1 178 . 1 . 1 25 25 ASP N N 15 121.621 0.014 . 1 . 4 . . . 25 ASP N . 26530 1 179 . 1 . 1 26 26 HIS HA H 1 4.497 0.000 . 1 . 1 . . . 26 HIS HA . 26530 1 180 . 1 . 1 26 26 HIS HB2 H 1 3.079 0.000 . 1 . 1 . . . 26 HIS HB2 . 26530 1 181 . 1 . 1 26 26 HIS HB3 H 1 3.079 0.000 . 1 . 1 . . . 26 HIS HB3 . 26530 1 182 . 1 . 1 26 26 HIS C C 13 175.522 0.000 . 1 . 1 . . . 26 HIS C . 26530 1 183 . 1 . 1 26 26 HIS CA C 13 56.957 0.000 . 1 . 1 . . . 26 HIS CA . 26530 1 184 . 1 . 1 26 26 HIS CB C 13 30.719 0.000 . 1 . 1 . . . 26 HIS CB . 26530 1 185 . 1 . 1 27 27 ASN H H 1 8.294 0.000 . 1 . 1 . . . 27 ASN H . 26530 1 186 . 1 . 1 27 27 ASN HA H 1 4.646 0.000 . 1 . 1 . . . 27 ASN HA . 26530 1 187 . 1 . 1 27 27 ASN HB2 H 1 2.753 0.009 . 1 . 3 . . . 27 ASN HB2 . 26530 1 188 . 1 . 1 27 27 ASN HB3 H 1 2.753 0.009 . 1 . 3 . . . 27 ASN HB3 . 26530 1 189 . 1 . 1 27 27 ASN C C 13 175.510 0.000 . 1 . 3 . . . 27 ASN C . 26530 1 190 . 1 . 1 27 27 ASN CA C 13 53.685 0.000 . 1 . 1 . . . 27 ASN CA . 26530 1 191 . 1 . 1 27 27 ASN CB C 13 38.780 0.073 . 1 . 3 . . . 27 ASN CB . 26530 1 192 . 1 . 1 27 27 ASN N N 15 118.926 0.011 . 1 . 2 . . . 27 ASN N . 26530 1 193 . 1 . 1 28 28 ARG H H 1 8.157 0.002 . 1 . 3 . . . 28 ARG H . 26530 1 194 . 1 . 1 28 28 ARG HA H 1 4.215 0.019 . 1 . 3 . . . 28 ARG HA . 26530 1 195 . 1 . 1 28 28 ARG HB2 H 1 1.744 0.047 . 1 . 2 . . . 28 ARG HB2 . 26530 1 196 . 1 . 1 28 28 ARG HB3 H 1 1.744 0.047 . 1 . 2 . . . 28 ARG HB3 . 26530 1 197 . 1 . 1 28 28 ARG C C 13 176.222 0.001 . 1 . 3 . . . 28 ARG C . 26530 1 198 . 1 . 1 28 28 ARG CA C 13 56.807 0.063 . 1 . 3 . . . 28 ARG CA . 26530 1 199 . 1 . 1 28 28 ARG CB C 13 30.528 0.149 . 1 . 2 . . . 28 ARG CB . 26530 1 200 . 1 . 1 28 28 ARG N N 15 120.961 0.008 . 1 . 5 . . . 28 ARG N . 26530 1 201 . 1 . 1 29 29 ASP H H 1 8.267 0.002 . 1 . 3 . . . 29 ASP H . 26530 1 202 . 1 . 1 29 29 ASP HA H 1 4.593 0.011 . 1 . 2 . . . 29 ASP HA . 26530 1 203 . 1 . 1 29 29 ASP HB2 H 1 2.644 0.006 . 1 . 2 . . . 29 ASP HB2 . 26530 1 204 . 1 . 1 29 29 ASP HB3 H 1 2.644 0.006 . 1 . 2 . . . 29 ASP HB3 . 26530 1 205 . 1 . 1 29 29 ASP C C 13 176.695 0.002 . 1 . 3 . . . 29 ASP C . 26530 1 206 . 1 . 1 29 29 ASP CA C 13 54.859 0.022 . 1 . 2 . . . 29 ASP CA . 26530 1 207 . 1 . 1 29 29 ASP CB C 13 41.333 0.022 . 1 . 3 . . . 29 ASP CB . 26530 1 208 . 1 . 1 29 29 ASP N N 15 120.009 0.012 . 1 . 5 . . . 29 ASP N . 26530 1 209 . 1 . 1 30 30 GLY H H 1 8.149 0.006 . 1 . 3 . . . 30 GLY H . 26530 1 210 . 1 . 1 30 30 GLY HA2 H 1 3.906 0.018 . 1 . 3 . . . 30 GLY HA2 . 26530 1 211 . 1 . 1 30 30 GLY HA3 H 1 3.906 0.018 . 1 . 3 . . . 30 GLY HA3 . 26530 1 212 . 1 . 1 30 30 GLY C C 13 173.973 0.005 . 1 . 3 . . . 30 GLY C . 26530 1 213 . 1 . 1 30 30 GLY CA C 13 45.507 0.034 . 1 . 3 . . . 30 GLY CA . 26530 1 214 . 1 . 1 30 30 GLY N N 15 108.575 0.027 . 1 . 5 . . . 30 GLY N . 26530 1 215 . 1 . 1 31 31 ILE H H 1 7.957 0.003 . 1 . 3 . . . 31 ILE H . 26530 1 216 . 1 . 1 31 31 ILE HA H 1 4.149 0.006 . 1 . 2 . . . 31 ILE HA . 26530 1 217 . 1 . 1 31 31 ILE HB H 1 1.817 0.009 . 1 . 2 . . . 31 ILE HB . 26530 1 218 . 1 . 1 31 31 ILE C C 13 176.181 0.002 . 1 . 3 . . . 31 ILE C . 26530 1 219 . 1 . 1 31 31 ILE CA C 13 61.189 0.047 . 1 . 2 . . . 31 ILE CA . 26530 1 220 . 1 . 1 31 31 ILE CB C 13 38.650 0.023 . 1 . 2 . . . 31 ILE CB . 26530 1 221 . 1 . 1 31 31 ILE N N 15 120.041 0.006 . 1 . 5 . . . 31 ILE N . 26530 1 222 . 1 . 1 32 32 ARG H H 1 8.369 0.006 . 1 . 3 . . . 32 ARG H . 26530 1 223 . 1 . 1 32 32 ARG HA H 1 4.352 0.013 . 1 . 2 . . . 32 ARG HA . 26530 1 224 . 1 . 1 32 32 ARG HB2 H 1 1.704 0.036 . 1 . 2 . . . 32 ARG HB2 . 26530 1 225 . 1 . 1 32 32 ARG HB3 H 1 1.704 0.036 . 1 . 2 . . . 32 ARG HB3 . 26530 1 226 . 1 . 1 32 32 ARG C C 13 176.375 0.003 . 1 . 3 . . . 32 ARG C . 26530 1 227 . 1 . 1 32 32 ARG CA C 13 56.087 0.081 . 1 . 2 . . . 32 ARG CA . 26530 1 228 . 1 . 1 32 32 ARG CB C 13 30.791 0.005 . 1 . 2 . . . 32 ARG CB . 26530 1 229 . 1 . 1 32 32 ARG N N 15 125.021 0.021 . 1 . 5 . . . 32 ARG N . 26530 1 230 . 1 . 1 33 33 THR H H 1 8.085 0.000 . 1 . 1 . . . 33 THR H . 26530 1 231 . 1 . 1 33 33 THR HA H 1 4.345 0.001 . 1 . 2 . . . 33 THR HA . 26530 1 232 . 1 . 1 33 33 THR HB H 1 4.263 0.012 . 1 . 2 . . . 33 THR HB . 26530 1 233 . 1 . 1 33 33 THR C C 13 174.429 0.000 . 1 . 2 . . . 33 THR C . 26530 1 234 . 1 . 1 33 33 THR CA C 13 61.537 0.025 . 1 . 2 . . . 33 THR CA . 26530 1 235 . 1 . 1 33 33 THR CB C 13 70.039 0.054 . 1 . 2 . . . 33 THR CB . 26530 1 236 . 1 . 1 33 33 THR N N 15 115.427 0.014 . 1 . 3 . . . 33 THR N . 26530 1 237 . 1 . 1 34 34 ALA HA H 1 4.352 0.008 . 1 . 2 . . . 34 ALA HA . 26530 1 238 . 1 . 1 34 34 ALA HB1 H 1 1.359 0.032 . 1 . 2 . . . 34 ALA MB . 26530 1 239 . 1 . 1 34 34 ALA HB2 H 1 1.359 0.032 . 1 . 2 . . . 34 ALA MB . 26530 1 240 . 1 . 1 34 34 ALA HB3 H 1 1.359 0.032 . 1 . 2 . . . 34 ALA MB . 26530 1 241 . 1 . 1 34 34 ALA C C 13 178.024 0.005 . 1 . 2 . . . 34 ALA C . 26530 1 242 . 1 . 1 34 34 ALA CA C 13 52.958 0.065 . 1 . 2 . . . 34 ALA CA . 26530 1 243 . 1 . 1 34 34 ALA CB C 13 19.144 0.162 . 1 . 2 . . . 34 ALA CB . 26530 1 244 . 1 . 1 34 34 ALA N N 15 125.478 0.039 . 1 . 3 . . . 34 ALA N . 26530 1 245 . 1 . 1 35 35 THR H H 1 8.018 0.000 . 1 . 1 . . . 35 THR H . 26530 1 246 . 1 . 1 35 35 THR HA H 1 4.282 0.009 . 1 . 2 . . . 35 THR HA . 26530 1 247 . 1 . 1 35 35 THR HB H 1 4.171 0.000 . 1 . 1 . . . 35 THR HB . 26530 1 248 . 1 . 1 35 35 THR C C 13 175.030 0.000 . 1 . 2 . . . 35 THR C . 26530 1 249 . 1 . 1 35 35 THR CA C 13 61.916 0.021 . 1 . 2 . . . 35 THR CA . 26530 1 250 . 1 . 1 35 35 THR CB C 13 69.750 0.000 . 1 . 1 . . . 35 THR CB . 26530 1 251 . 1 . 1 35 35 THR N N 15 111.357 0.012 . 1 . 2 . . . 35 THR N . 26530 1 252 . 1 . 1 36 36 GLY H H 1 8.149 0.000 . 1 . 1 . . . 36 GLY H . 26530 1 253 . 1 . 1 36 36 GLY HA2 H 1 3.916 0.010 . 1 . 3 . . . 36 GLY HA2 . 26530 1 254 . 1 . 1 36 36 GLY HA3 H 1 3.916 0.010 . 1 . 3 . . . 36 GLY HA3 . 26530 1 255 . 1 . 1 36 36 GLY C C 13 173.437 0.001 . 1 . 3 . . . 36 GLY C . 26530 1 256 . 1 . 1 36 36 GLY CA C 13 45.351 0.048 . 1 . 3 . . . 36 GLY CA . 26530 1 257 . 1 . 1 36 36 GLY N N 15 110.788 0.038 . 1 . 3 . . . 36 GLY N . 26530 1 258 . 1 . 1 37 37 TRP H H 1 8.049 0.003 . 1 . 3 . . . 37 TRP H . 26530 1 259 . 1 . 1 37 37 TRP HA H 1 4.717 0.014 . 1 . 3 . . . 37 TRP HA . 26530 1 260 . 1 . 1 37 37 TRP HB2 H 1 3.188 0.009 . 1 . 3 . . . 37 TRP HB2 . 26530 1 261 . 1 . 1 37 37 TRP HB3 H 1 3.188 0.009 . 1 . 3 . . . 37 TRP HB3 . 26530 1 262 . 1 . 1 37 37 TRP C C 13 175.898 0.000 . 1 . 3 . . . 37 TRP C . 26530 1 263 . 1 . 1 37 37 TRP CA C 13 57.410 0.024 . 1 . 3 . . . 37 TRP CA . 26530 1 264 . 1 . 1 37 37 TRP CB C 13 30.086 0.004 . 1 . 3 . . . 37 TRP CB . 26530 1 265 . 1 . 1 37 37 TRP N N 15 121.579 0.011 . 1 . 5 . . . 37 TRP N . 26530 1 266 . 1 . 1 38 38 VAL H H 1 8.034 0.003 . 1 . 3 . . . 38 VAL H . 26530 1 267 . 1 . 1 38 38 VAL HA H 1 4.115 0.006 . 1 . 2 . . . 38 VAL HA . 26530 1 268 . 1 . 1 38 38 VAL HB H 1 1.940 0.014 . 1 . 2 . . . 38 VAL HB . 26530 1 269 . 1 . 1 38 38 VAL C C 13 175.274 0.003 . 1 . 3 . . . 38 VAL C . 26530 1 270 . 1 . 1 38 38 VAL CA C 13 61.645 0.035 . 1 . 2 . . . 38 VAL CA . 26530 1 271 . 1 . 1 38 38 VAL CB C 13 33.599 0.016 . 1 . 2 . . . 38 VAL CB . 26530 1 272 . 1 . 1 38 38 VAL N N 15 122.463 0.023 . 1 . 5 . . . 38 VAL N . 26530 1 273 . 1 . 1 39 39 SER H H 1 8.223 0.002 . 1 . 3 . . . 39 SER H . 26530 1 274 . 1 . 1 39 39 SER HA H 1 4.318 0.004 . 1 . 2 . . . 39 SER HA . 26530 1 275 . 1 . 1 39 39 SER HB2 H 1 3.817 0.004 . 1 . 3 . . . 39 SER HB2 . 26530 1 276 . 1 . 1 39 39 SER HB3 H 1 3.817 0.004 . 1 . 3 . . . 39 SER HB3 . 26530 1 277 . 1 . 1 39 39 SER C C 13 174.506 0.002 . 1 . 3 . . . 39 SER C . 26530 1 278 . 1 . 1 39 39 SER CA C 13 57.978 0.009 . 1 . 2 . . . 39 SER CA . 26530 1 279 . 1 . 1 39 39 SER CB C 13 64.062 0.025 . 1 . 3 . . . 39 SER CB . 26530 1 280 . 1 . 1 39 39 SER N N 15 119.129 0.011 . 1 . 5 . . . 39 SER N . 26530 1 281 . 1 . 1 40 40 ALA H H 1 8.420 0.003 . 1 . 3 . . . 40 ALA H . 26530 1 282 . 1 . 1 40 40 ALA HA H 1 4.291 0.010 . 1 . 3 . . . 40 ALA HA . 26530 1 283 . 1 . 1 40 40 ALA HB1 H 1 1.380 0.004 . 1 . 3 . . . 40 ALA MB . 26530 1 284 . 1 . 1 40 40 ALA HB2 H 1 1.380 0.004 . 1 . 3 . . . 40 ALA MB . 26530 1 285 . 1 . 1 40 40 ALA HB3 H 1 1.380 0.004 . 1 . 3 . . . 40 ALA MB . 26530 1 286 . 1 . 1 40 40 ALA C C 13 177.592 0.002 . 1 . 3 . . . 40 ALA C . 26530 1 287 . 1 . 1 40 40 ALA CA C 13 52.784 0.033 . 1 . 3 . . . 40 ALA CA . 26530 1 288 . 1 . 1 40 40 ALA CB C 13 19.301 0.036 . 1 . 3 . . . 40 ALA CB . 26530 1 289 . 1 . 1 40 40 ALA N N 15 126.529 0.013 . 1 . 5 . . . 40 ALA N . 26530 1 290 . 1 . 1 41 41 ASP H H 1 8.194 0.003 . 1 . 3 . . . 41 ASP H . 26530 1 291 . 1 . 1 41 41 ASP HA H 1 4.550 0.002 . 1 . 2 . . . 41 ASP HA . 26530 1 292 . 1 . 1 41 41 ASP HB2 H 1 2.650 0.009 . 1 . 2 . . . 41 ASP HB2 . 26530 1 293 . 1 . 1 41 41 ASP HB3 H 1 2.650 0.009 . 1 . 2 . . . 41 ASP HB3 . 26530 1 294 . 1 . 1 41 41 ASP C C 13 176.311 0.002 . 1 . 3 . . . 41 ASP C . 26530 1 295 . 1 . 1 41 41 ASP CA C 13 54.647 0.057 . 1 . 2 . . . 41 ASP CA . 26530 1 296 . 1 . 1 41 41 ASP CB C 13 41.194 0.026 . 1 . 2 . . . 41 ASP CB . 26530 1 297 . 1 . 1 41 41 ASP N N 15 118.921 0.009 . 1 . 5 . . . 41 ASP N . 26530 1 298 . 1 . 1 42 42 ASP H H 1 8.084 0.001 . 1 . 3 . . . 42 ASP H . 26530 1 299 . 1 . 1 42 42 ASP HA H 1 4.532 0.000 . 1 . 3 . . . 42 ASP HA . 26530 1 300 . 1 . 1 42 42 ASP HB2 H 1 2.680 0.004 . 1 . 2 . . . 42 ASP HB2 . 26530 1 301 . 1 . 1 42 42 ASP HB3 H 1 2.680 0.004 . 1 . 2 . . . 42 ASP HB3 . 26530 1 302 . 1 . 1 42 42 ASP C C 13 177.100 0.008 . 1 . 3 . . . 42 ASP C . 26530 1 303 . 1 . 1 42 42 ASP CA C 13 54.793 0.025 . 1 . 3 . . . 42 ASP CA . 26530 1 304 . 1 . 1 42 42 ASP CB C 13 41.140 0.019 . 1 . 2 . . . 42 ASP CB . 26530 1 305 . 1 . 1 42 42 ASP N N 15 120.464 0.016 . 1 . 5 . . . 42 ASP N . 26530 1 306 . 1 . 1 43 43 GLY H H 1 8.310 0.004 . 1 . 3 . . . 43 GLY H . 26530 1 307 . 1 . 1 43 43 GLY HA2 H 1 3.891 0.006 . 1 . 3 . . . 43 GLY HA2 . 26530 1 308 . 1 . 1 43 43 GLY HA3 H 1 3.891 0.006 . 1 . 3 . . . 43 GLY HA3 . 26530 1 309 . 1 . 1 43 43 GLY C C 13 174.398 0.013 . 1 . 3 . . . 43 GLY C . 26530 1 310 . 1 . 1 43 43 GLY CA C 13 45.817 0.042 . 1 . 3 . . . 43 GLY CA . 26530 1 311 . 1 . 1 43 43 GLY N N 15 108.619 0.022 . 1 . 5 . . . 43 GLY N . 26530 1 312 . 1 . 1 44 44 LEU H H 1 7.901 0.002 . 1 . 4 . . . 44 LEU H . 26530 1 313 . 1 . 1 44 44 LEU HA H 1 4.293 0.005 . 1 . 2 . . . 44 LEU HA . 26530 1 314 . 1 . 1 44 44 LEU HB2 H 1 1.591 0.017 . 1 . 2 . . . 44 LEU HB2 . 26530 1 315 . 1 . 1 44 44 LEU HB3 H 1 1.591 0.017 . 1 . 2 . . . 44 LEU HB3 . 26530 1 316 . 1 . 1 44 44 LEU C C 13 177.242 0.004 . 1 . 3 . . . 44 LEU C . 26530 1 317 . 1 . 1 44 44 LEU CA C 13 55.459 0.021 . 1 . 2 . . . 44 LEU CA . 26530 1 318 . 1 . 1 44 44 LEU CB C 13 42.269 0.064 . 1 . 2 . . . 44 LEU CB . 26530 1 319 . 1 . 1 44 44 LEU N N 15 121.071 0.004 . 1 . 6 . . . 44 LEU N . 26530 1 320 . 1 . 1 45 45 LEU H H 1 8.060 0.001 . 1 . 3 . . . 45 LEU H . 26530 1 321 . 1 . 1 45 45 LEU HA H 1 4.361 0.016 . 1 . 3 . . . 45 LEU HA . 26530 1 322 . 1 . 1 45 45 LEU HB2 H 1 1.586 0.001 . 1 . 3 . . . 45 LEU HB2 . 26530 1 323 . 1 . 1 45 45 LEU HB3 H 1 1.586 0.001 . 1 . 3 . . . 45 LEU HB3 . 26530 1 324 . 1 . 1 45 45 LEU C C 13 177.138 0.014 . 1 . 3 . . . 45 LEU C . 26530 1 325 . 1 . 1 45 45 LEU CA C 13 55.322 0.042 . 1 . 3 . . . 45 LEU CA . 26530 1 326 . 1 . 1 45 45 LEU CB C 13 42.447 0.060 . 1 . 3 . . . 45 LEU CB . 26530 1 327 . 1 . 1 45 45 LEU N N 15 122.192 0.008 . 1 . 5 . . . 45 LEU N . 26530 1 328 . 1 . 1 46 46 VAL H H 1 8.058 0.003 . 1 . 3 . . . 46 VAL H . 26530 1 329 . 1 . 1 46 46 VAL HA H 1 4.087 0.009 . 1 . 3 . . . 46 VAL HA . 26530 1 330 . 1 . 1 46 46 VAL HB H 1 2.019 0.001 . 1 . 2 . . . 46 VAL HB . 26530 1 331 . 1 . 1 46 46 VAL C C 13 175.924 0.005 . 1 . 3 . . . 46 VAL C . 26530 1 332 . 1 . 1 46 46 VAL CA C 13 62.370 0.031 . 1 . 3 . . . 46 VAL CA . 26530 1 333 . 1 . 1 46 46 VAL CB C 13 32.733 0.011 . 1 . 2 . . . 46 VAL CB . 26530 1 334 . 1 . 1 46 46 VAL N N 15 121.189 0.032 . 1 . 5 . . . 46 VAL N . 26530 1 335 . 1 . 1 47 47 ARG H H 1 8.246 0.002 . 1 . 3 . . . 47 ARG H . 26530 1 336 . 1 . 1 47 47 ARG HA H 1 4.351 0.013 . 1 . 3 . . . 47 ARG HA . 26530 1 337 . 1 . 1 47 47 ARG HB2 H 1 1.729 0.009 . 1 . 2 . . . 47 ARG HB2 . 26530 1 338 . 1 . 1 47 47 ARG HB3 H 1 1.729 0.009 . 1 . 2 . . . 47 ARG HB3 . 26530 1 339 . 1 . 1 47 47 ARG C C 13 175.727 0.003 . 1 . 3 . . . 47 ARG C . 26530 1 340 . 1 . 1 47 47 ARG CA C 13 55.940 0.055 . 1 . 3 . . . 47 ARG CA . 26530 1 341 . 1 . 1 47 47 ARG CB C 13 31.383 0.012 . 1 . 2 . . . 47 ARG CB . 26530 1 342 . 1 . 1 47 47 ARG N N 15 124.381 0.015 . 1 . 5 . . . 47 ARG N . 26530 1 343 . 1 . 1 48 48 ASP H H 1 8.291 0.005 . 1 . 2 . . . 48 ASP H . 26530 1 344 . 1 . 1 48 48 ASP HA H 1 4.594 0.004 . 1 . 2 . . . 48 ASP HA . 26530 1 345 . 1 . 1 48 48 ASP HB2 H 1 2.652 0.035 . 1 . 3 . . . 48 ASP HB2 . 26530 1 346 . 1 . 1 48 48 ASP HB3 H 1 2.652 0.035 . 1 . 3 . . . 48 ASP HB3 . 26530 1 347 . 1 . 1 48 48 ASP C C 13 176.502 0.002 . 1 . 3 . . . 48 ASP C . 26530 1 348 . 1 . 1 48 48 ASP CA C 13 54.112 0.027 . 1 . 2 . . . 48 ASP CA . 26530 1 349 . 1 . 1 48 48 ASP CB C 13 41.335 0.081 . 1 . 3 . . . 48 ASP CB . 26530 1 350 . 1 . 1 48 48 ASP N N 15 121.316 0.006 . 1 . 5 . . . 48 ASP N . 26530 1 351 . 1 . 1 49 49 LEU H H 1 8.231 0.003 . 1 . 3 . . . 49 LEU H . 26530 1 352 . 1 . 1 49 49 LEU HA H 1 4.264 0.020 . 1 . 3 . . . 49 LEU HA . 26530 1 353 . 1 . 1 49 49 LEU HB2 H 1 1.593 0.004 . 1 . 2 . . . 49 LEU HB2 . 26530 1 354 . 1 . 1 49 49 LEU HB3 H 1 1.593 0.004 . 1 . 2 . . . 49 LEU HB3 . 26530 1 355 . 1 . 1 49 49 LEU C C 13 177.548 0.005 . 1 . 3 . . . 49 LEU C . 26530 1 356 . 1 . 1 49 49 LEU CA C 13 55.922 0.076 . 1 . 3 . . . 49 LEU CA . 26530 1 357 . 1 . 1 49 49 LEU CB C 13 42.183 0.062 . 1 . 2 . . . 49 LEU CB . 26530 1 358 . 1 . 1 49 49 LEU N N 15 122.939 0.023 . 1 . 5 . . . 49 LEU N . 26530 1 359 . 1 . 1 50 50 ASN H H 1 8.395 0.000 . 1 . 1 . . . 50 ASN H . 26530 1 360 . 1 . 1 50 50 ASN HA H 1 4.685 0.000 . 1 . 1 . . . 50 ASN HA . 26530 1 361 . 1 . 1 50 50 ASN HB2 H 1 2.777 0.000 . 1 . 1 . . . 50 ASN HB2 . 26530 1 362 . 1 . 1 50 50 ASN HB3 H 1 2.777 0.000 . 1 . 1 . . . 50 ASN HB3 . 26530 1 363 . 1 . 1 50 50 ASN CA C 13 53.560 0.000 . 1 . 1 . . . 50 ASN CA . 26530 1 364 . 1 . 1 50 50 ASN CB C 13 39.114 0.000 . 1 . 1 . . . 50 ASN CB . 26530 1 365 . 1 . 1 50 50 ASN N N 15 118.101 0.005 . 1 . 3 . . . 50 ASN N . 26530 1 366 . 1 . 1 52 52 ASN C C 13 175.735 0.002 . 1 . 3 . . . 52 ASN C . 26530 1 367 . 1 . 1 53 53 GLY H H 1 8.439 0.002 . 1 . 2 . . . 53 GLY H . 26530 1 368 . 1 . 1 53 53 GLY HA2 H 1 3.904 0.004 . 1 . 2 . . . 53 GLY HA2 . 26530 1 369 . 1 . 1 53 53 GLY HA3 H 1 3.904 0.004 . 1 . 2 . . . 53 GLY HA3 . 26530 1 370 . 1 . 1 53 53 GLY C C 13 173.806 0.002 . 1 . 3 . . . 53 GLY C . 26530 1 371 . 1 . 1 53 53 GLY CA C 13 45.460 0.027 . 1 . 2 . . . 53 GLY CA . 26530 1 372 . 1 . 1 53 53 GLY N N 15 109.143 0.012 . 1 . 4 . . . 53 GLY N . 26530 1 373 . 1 . 1 54 54 ILE H H 1 7.934 0.005 . 1 . 3 . . . 54 ILE H . 26530 1 374 . 1 . 1 54 54 ILE HA H 1 4.151 0.004 . 1 . 2 . . . 54 ILE HA . 26530 1 375 . 1 . 1 54 54 ILE HB H 1 1.826 0.000 . 1 . 2 . . . 54 ILE HB . 26530 1 376 . 1 . 1 54 54 ILE C C 13 176.181 0.001 . 1 . 3 . . . 54 ILE C . 26530 1 377 . 1 . 1 54 54 ILE CA C 13 61.124 0.018 . 1 . 2 . . . 54 ILE CA . 26530 1 378 . 1 . 1 54 54 ILE CB C 13 38.664 0.009 . 1 . 2 . . . 54 ILE CB . 26530 1 379 . 1 . 1 54 54 ILE N N 15 120.461 0.018 . 1 . 5 . . . 54 ILE N . 26530 1 380 . 1 . 1 55 55 ILE H H 1 8.193 0.007 . 1 . 3 . . . 55 ILE H . 26530 1 381 . 1 . 1 55 55 ILE HA H 1 4.165 0.007 . 1 . 3 . . . 55 ILE HA . 26530 1 382 . 1 . 1 55 55 ILE HB H 1 1.826 0.003 . 1 . 2 . . . 55 ILE HB . 26530 1 383 . 1 . 1 55 55 ILE C C 13 175.662 0.001 . 1 . 3 . . . 55 ILE C . 26530 1 384 . 1 . 1 55 55 ILE CA C 13 60.888 0.066 . 1 . 3 . . . 55 ILE CA . 26530 1 385 . 1 . 1 55 55 ILE CB C 13 38.855 0.068 . 1 . 2 . . . 55 ILE CB . 26530 1 386 . 1 . 1 55 55 ILE N N 15 125.069 0.057 . 1 . 5 . . . 55 ILE N . 26530 1 387 . 1 . 1 56 56 ASP H H 1 8.372 0.001 . 1 . 3 . . . 56 ASP H . 26530 1 388 . 1 . 1 56 56 ASP HA H 1 4.621 0.006 . 1 . 2 . . . 56 ASP HA . 26530 1 389 . 1 . 1 56 56 ASP HB2 H 1 2.655 0.000 . 1 . 2 . . . 56 ASP HB2 . 26530 1 390 . 1 . 1 56 56 ASP HB3 H 1 2.655 0.000 . 1 . 2 . . . 56 ASP HB3 . 26530 1 391 . 1 . 1 56 56 ASP C C 13 175.939 0.003 . 1 . 3 . . . 56 ASP C . 26530 1 392 . 1 . 1 56 56 ASP CA C 13 54.055 0.045 . 1 . 2 . . . 56 ASP CA . 26530 1 393 . 1 . 1 56 56 ASP CB C 13 41.457 0.031 . 1 . 2 . . . 56 ASP CB . 26530 1 394 . 1 . 1 56 56 ASP N N 15 124.890 0.010 . 1 . 5 . . . 56 ASP N . 26530 1 395 . 1 . 1 57 57 ASN H H 1 8.429 0.002 . 1 . 3 . . . 57 ASN H . 26530 1 396 . 1 . 1 57 57 ASN HA H 1 4.669 0.019 . 1 . 3 . . . 57 ASN HA . 26530 1 397 . 1 . 1 57 57 ASN HB2 H 1 2.794 0.010 . 1 . 3 . . . 57 ASN HB2 . 26530 1 398 . 1 . 1 57 57 ASN HB3 H 1 2.794 0.010 . 1 . 3 . . . 57 ASN HB3 . 26530 1 399 . 1 . 1 57 57 ASN C C 13 176.044 0.007 . 1 . 3 . . . 57 ASN C . 26530 1 400 . 1 . 1 57 57 ASN CA C 13 53.550 0.029 . 1 . 3 . . . 57 ASN CA . 26530 1 401 . 1 . 1 57 57 ASN CB C 13 38.931 0.065 . 1 . 3 . . . 57 ASN CB . 26530 1 402 . 1 . 1 57 57 ASN N N 15 120.593 0.028 . 1 . 5 . . . 57 ASN N . 26530 1 403 . 1 . 1 58 58 GLY H H 1 8.523 0.001 . 1 . 3 . . . 58 GLY H . 26530 1 404 . 1 . 1 58 58 GLY HA2 H 1 3.919 0.006 . 1 . 3 . . . 58 GLY HA2 . 26530 1 405 . 1 . 1 58 58 GLY HA3 H 1 3.919 0.006 . 1 . 3 . . . 58 GLY HA3 . 26530 1 406 . 1 . 1 58 58 GLY C C 13 174.238 0.002 . 1 . 3 . . . 58 GLY C . 26530 1 407 . 1 . 1 58 58 GLY CA C 13 45.864 0.007 . 1 . 3 . . . 58 GLY CA . 26530 1 408 . 1 . 1 58 58 GLY N N 15 109.306 0.029 . 1 . 5 . . . 58 GLY N . 26530 1 409 . 1 . 1 59 59 ALA H H 1 7.995 0.002 . 1 . 3 . . . 59 ALA H . 26530 1 410 . 1 . 1 59 59 ALA HA H 1 4.248 0.006 . 1 . 3 . . . 59 ALA HA . 26530 1 411 . 1 . 1 59 59 ALA HB1 H 1 1.355 0.013 . 1 . 3 . . . 59 ALA MB . 26530 1 412 . 1 . 1 59 59 ALA HB2 H 1 1.355 0.013 . 1 . 3 . . . 59 ALA MB . 26530 1 413 . 1 . 1 59 59 ALA HB3 H 1 1.355 0.013 . 1 . 3 . . . 59 ALA MB . 26530 1 414 . 1 . 1 59 59 ALA C C 13 177.894 0.001 . 1 . 3 . . . 59 ALA C . 26530 1 415 . 1 . 1 59 59 ALA CA C 13 52.801 0.021 . 1 . 3 . . . 59 ALA CA . 26530 1 416 . 1 . 1 59 59 ALA CB C 13 19.353 0.010 . 1 . 3 . . . 59 ALA CB . 26530 1 417 . 1 . 1 59 59 ALA N N 15 123.271 0.011 . 1 . 5 . . . 59 ALA N . 26530 1 418 . 1 . 1 60 60 GLU H H 1 8.324 0.002 . 1 . 3 . . . 60 GLU H . 26530 1 419 . 1 . 1 60 60 GLU HA H 1 4.194 0.007 . 1 . 3 . . . 60 GLU HA . 26530 1 420 . 1 . 1 60 60 GLU HB2 H 1 1.919 0.013 . 1 . 3 . . . 60 GLU HB2 . 26530 1 421 . 1 . 1 60 60 GLU HB3 H 1 1.919 0.013 . 1 . 3 . . . 60 GLU HB3 . 26530 1 422 . 1 . 1 60 60 GLU C C 13 176.416 0.003 . 1 . 3 . . . 60 GLU C . 26530 1 423 . 1 . 1 60 60 GLU CA C 13 56.734 0.035 . 1 . 3 . . . 60 GLU CA . 26530 1 424 . 1 . 1 60 60 GLU CB C 13 30.059 0.036 . 1 . 3 . . . 60 GLU CB . 26530 1 425 . 1 . 1 60 60 GLU N N 15 119.515 0.013 . 1 . 5 . . . 60 GLU N . 26530 1 426 . 1 . 1 61 61 LEU H H 1 8.024 0.001 . 1 . 3 . . . 61 LEU H . 26530 1 427 . 1 . 1 61 61 LEU HA H 1 4.257 0.012 . 1 . 3 . . . 61 LEU HA . 26530 1 428 . 1 . 1 61 61 LEU HB2 H 1 1.458 0.034 . 1 . 3 . . . 61 LEU HB2 . 26530 1 429 . 1 . 1 61 61 LEU HB3 H 1 1.458 0.034 . 1 . 3 . . . 61 LEU HB3 . 26530 1 430 . 1 . 1 61 61 LEU C C 13 177.039 0.001 . 1 . 3 . . . 61 LEU C . 26530 1 431 . 1 . 1 61 61 LEU CA C 13 55.247 0.007 . 1 . 3 . . . 61 LEU CA . 26530 1 432 . 1 . 1 61 61 LEU CB C 13 42.407 0.037 . 1 . 3 . . . 61 LEU CB . 26530 1 433 . 1 . 1 61 61 LEU N N 15 122.508 0.020 . 1 . 5 . . . 61 LEU N . 26530 1 434 . 1 . 1 62 62 PHE H H 1 8.113 0.005 . 1 . 3 . . . 62 PHE H . 26530 1 435 . 1 . 1 62 62 PHE HA H 1 4.645 0.000 . 1 . 2 . . . 62 PHE HA . 26530 1 436 . 1 . 1 62 62 PHE HB2 H 1 2.999 0.008 . 2 . 2 . . . 62 PHE HB2 . 26530 1 437 . 1 . 1 62 62 PHE HB3 H 1 3.146 0.008 . 2 . 2 . . . 62 PHE HB3 . 26530 1 438 . 1 . 1 62 62 PHE C C 13 176.243 0.000 . 1 . 3 . . . 62 PHE C . 26530 1 439 . 1 . 1 62 62 PHE CA C 13 57.588 0.008 . 1 . 2 . . . 62 PHE CA . 26530 1 440 . 1 . 1 62 62 PHE CB C 13 39.604 0.028 . 1 . 4 . . . 62 PHE CB . 26530 1 441 . 1 . 1 62 62 PHE N N 15 119.906 0.019 . 1 . 5 . . . 62 PHE N . 26530 1 442 . 1 . 1 63 63 GLY H H 1 8.190 0.002 . 1 . 3 . . . 63 GLY H . 26530 1 443 . 1 . 1 63 63 GLY HA2 H 1 3.899 0.004 . 1 . 3 . . . 63 GLY HA2 . 26530 1 444 . 1 . 1 63 63 GLY HA3 H 1 3.899 0.004 . 1 . 3 . . . 63 GLY HA3 . 26530 1 445 . 1 . 1 63 63 GLY C C 13 173.756 0.000 . 1 . 3 . . . 63 GLY C . 26530 1 446 . 1 . 1 63 63 GLY CA C 13 45.403 0.024 . 1 . 3 . . . 63 GLY CA . 26530 1 447 . 1 . 1 63 63 GLY N N 15 109.933 0.017 . 1 . 5 . . . 63 GLY N . 26530 1 448 . 1 . 1 64 64 ASP H H 1 8.198 0.005 . 1 . 3 . . . 64 ASP H . 26530 1 449 . 1 . 1 64 64 ASP HA H 1 4.588 0.001 . 1 . 2 . . . 64 ASP HA . 26530 1 450 . 1 . 1 64 64 ASP HB2 H 1 2.663 0.018 . 1 . 3 . . . 64 ASP HB2 . 26530 1 451 . 1 . 1 64 64 ASP HB3 H 1 2.663 0.018 . 1 . 3 . . . 64 ASP HB3 . 26530 1 452 . 1 . 1 64 64 ASP C C 13 176.393 0.000 . 1 . 3 . . . 64 ASP C . 26530 1 453 . 1 . 1 64 64 ASP CA C 13 54.392 0.032 . 1 . 2 . . . 64 ASP CA . 26530 1 454 . 1 . 1 64 64 ASP CB C 13 41.195 0.053 . 1 . 3 . . . 64 ASP CB . 26530 1 455 . 1 . 1 64 64 ASP N N 15 120.446 0.010 . 1 . 5 . . . 64 ASP N . 26530 1 456 . 1 . 1 65 65 ASN H H 1 8.470 0.002 . 1 . 2 . . . 65 ASN H . 26530 1 457 . 1 . 1 65 65 ASN HA H 1 4.709 0.022 . 1 . 3 . . . 65 ASN HA . 26530 1 458 . 1 . 1 65 65 ASN HB2 H 1 2.800 0.034 . 1 . 3 . . . 65 ASN HB2 . 26530 1 459 . 1 . 1 65 65 ASN HB3 H 1 2.800 0.034 . 1 . 3 . . . 65 ASN HB3 . 26530 1 460 . 1 . 1 65 65 ASN C C 13 175.813 0.003 . 1 . 3 . . . 65 ASN C . 26530 1 461 . 1 . 1 65 65 ASN CA C 13 53.726 0.031 . 1 . 3 . . . 65 ASN CA . 26530 1 462 . 1 . 1 65 65 ASN CB C 13 38.746 0.078 . 1 . 3 . . . 65 ASN CB . 26530 1 463 . 1 . 1 65 65 ASN N N 15 119.652 0.015 . 1 . 5 . . . 65 ASN N . 26530 1 464 . 1 . 1 66 66 THR H H 1 8.189 0.001 . 1 . 3 . . . 66 THR H . 26530 1 465 . 1 . 1 66 66 THR HA H 1 4.221 0.010 . 1 . 3 . . . 66 THR HA . 26530 1 466 . 1 . 1 66 66 THR HB H 1 4.195 0.045 . 1 . 3 . . . 66 THR HB . 26530 1 467 . 1 . 1 66 66 THR C C 13 174.752 0.012 . 1 . 3 . . . 66 THR C . 26530 1 468 . 1 . 1 66 66 THR CA C 13 62.981 0.017 . 1 . 3 . . . 66 THR CA . 26530 1 469 . 1 . 1 66 66 THR CB C 13 69.666 0.047 . 1 . 3 . . . 66 THR CB . 26530 1 470 . 1 . 1 66 66 THR N N 15 114.025 0.023 . 1 . 5 . . . 66 THR N . 26530 1 471 . 1 . 1 67 67 LYS H H 1 8.093 0.006 . 1 . 3 . . . 67 LYS H . 26530 1 472 . 1 . 1 67 67 LYS HA H 1 4.331 0.001 . 1 . 2 . . . 67 LYS HA . 26530 1 473 . 1 . 1 67 67 LYS HB2 H 1 1.746 0.000 . 1 . 1 . . . 67 LYS HB2 . 26530 1 474 . 1 . 1 67 67 LYS HB3 H 1 1.746 0.000 . 1 . 1 . . . 67 LYS HB3 . 26530 1 475 . 1 . 1 67 67 LYS C C 13 176.500 0.000 . 1 . 3 . . . 67 LYS C . 26530 1 476 . 1 . 1 67 67 LYS CA C 13 56.248 0.003 . 1 . 2 . . . 67 LYS CA . 26530 1 477 . 1 . 1 67 67 LYS CB C 13 33.025 0.029 . 1 . 3 . . . 67 LYS CB . 26530 1 478 . 1 . 1 67 67 LYS N N 15 123.093 0.019 . 1 . 5 . . . 67 LYS N . 26530 1 479 . 1 . 1 68 68 LEU H H 1 8.133 0.001 . 1 . 2 . . . 68 LEU H . 26530 1 480 . 1 . 1 68 68 LEU HA H 1 4.309 0.004 . 1 . 3 . . . 68 LEU HA . 26530 1 481 . 1 . 1 68 68 LEU HB2 H 1 1.589 0.000 . 1 . 1 . . . 68 LEU HB2 . 26530 1 482 . 1 . 1 68 68 LEU HB3 H 1 1.589 0.000 . 1 . 1 . . . 68 LEU HB3 . 26530 1 483 . 1 . 1 68 68 LEU C C 13 177.587 0.001 . 1 . 3 . . . 68 LEU C . 26530 1 484 . 1 . 1 68 68 LEU CA C 13 55.101 0.051 . 1 . 3 . . . 68 LEU CA . 26530 1 485 . 1 . 1 68 68 LEU CB C 13 42.286 0.041 . 1 . 2 . . . 68 LEU CB . 26530 1 486 . 1 . 1 68 68 LEU N N 15 122.888 0.023 . 1 . 4 . . . 68 LEU N . 26530 1 487 . 1 . 1 69 69 ALA H H 1 8.257 0.005 . 1 . 3 . . . 69 ALA H . 26530 1 488 . 1 . 1 69 69 ALA HA H 1 4.260 0.008 . 1 . 3 . . . 69 ALA HA . 26530 1 489 . 1 . 1 69 69 ALA HB1 H 1 1.376 0.004 . 1 . 3 . . . 69 ALA MB . 26530 1 490 . 1 . 1 69 69 ALA HB2 H 1 1.376 0.004 . 1 . 3 . . . 69 ALA MB . 26530 1 491 . 1 . 1 69 69 ALA HB3 H 1 1.376 0.004 . 1 . 3 . . . 69 ALA MB . 26530 1 492 . 1 . 1 69 69 ALA C C 13 177.614 0.007 . 1 . 3 . . . 69 ALA C . 26530 1 493 . 1 . 1 69 69 ALA CA C 13 52.878 0.033 . 1 . 3 . . . 69 ALA CA . 26530 1 494 . 1 . 1 69 69 ALA CB C 13 19.194 0.057 . 1 . 3 . . . 69 ALA CB . 26530 1 495 . 1 . 1 69 69 ALA N N 15 124.313 0.007 . 1 . 5 . . . 69 ALA N . 26530 1 496 . 1 . 1 70 70 ASP H H 1 8.093 0.002 . 1 . 2 . . . 70 ASP H . 26530 1 497 . 1 . 1 70 70 ASP HA H 1 4.537 0.007 . 1 . 2 . . . 70 ASP HA . 26530 1 498 . 1 . 1 70 70 ASP HB2 H 1 2.694 0.008 . 1 . 3 . . . 70 ASP HB2 . 26530 1 499 . 1 . 1 70 70 ASP HB3 H 1 2.694 0.008 . 1 . 3 . . . 70 ASP HB3 . 26530 1 500 . 1 . 1 70 70 ASP C C 13 177.074 0.000 . 1 . 2 . . . 70 ASP C . 26530 1 501 . 1 . 1 70 70 ASP CA C 13 54.426 0.038 . 1 . 2 . . . 70 ASP CA . 26530 1 502 . 1 . 1 70 70 ASP CB C 13 41.188 0.054 . 1 . 3 . . . 70 ASP CB . 26530 1 503 . 1 . 1 70 70 ASP N N 15 118.694 0.031 . 1 . 4 . . . 70 ASP N . 26530 1 504 . 1 . 1 71 71 GLY HA2 H 1 3.936 0.005 . 1 . 3 . . . 71 GLY HA2 . 26530 1 505 . 1 . 1 71 71 GLY HA3 H 1 3.936 0.005 . 1 . 3 . . . 71 GLY HA3 . 26530 1 506 . 1 . 1 71 71 GLY C C 13 174.572 0.000 . 1 . 2 . . . 71 GLY C . 26530 1 507 . 1 . 1 71 71 GLY CA C 13 45.680 0.049 . 1 . 3 . . . 71 GLY CA . 26530 1 508 . 1 . 1 71 71 GLY N N 15 109.380 0.000 . 1 . 2 . . . 71 GLY N . 26530 1 509 . 1 . 1 72 72 SER H H 1 8.154 0.000 . 1 . 1 . . . 72 SER H . 26530 1 510 . 1 . 1 72 72 SER HA H 1 4.313 0.003 . 1 . 2 . . . 72 SER HA . 26530 1 511 . 1 . 1 72 72 SER HB2 H 1 3.810 0.015 . 1 . 2 . . . 72 SER HB2 . 26530 1 512 . 1 . 1 72 72 SER HB3 H 1 3.810 0.015 . 1 . 2 . . . 72 SER HB3 . 26530 1 513 . 1 . 1 72 72 SER C C 13 174.230 0.005 . 1 . 3 . . . 72 SER C . 26530 1 514 . 1 . 1 72 72 SER CA C 13 59.033 0.026 . 1 . 2 . . . 72 SER CA . 26530 1 515 . 1 . 1 72 72 SER CB C 13 63.790 0.044 . 1 . 2 . . . 72 SER CB . 26530 1 516 . 1 . 1 72 72 SER N N 15 116.030 0.012 . 1 . 3 . . . 72 SER N . 26530 1 517 . 1 . 1 73 73 PHE H H 1 8.118 0.011 . 1 . 3 . . . 73 PHE H . 26530 1 518 . 1 . 1 73 73 PHE HA H 1 4.584 0.005 . 1 . 3 . . . 73 PHE HA . 26530 1 519 . 1 . 1 73 73 PHE HB2 H 1 3.055 0.020 . 1 . 2 . . . 73 PHE HB2 . 26530 1 520 . 1 . 1 73 73 PHE HB3 H 1 3.055 0.020 . 1 . 2 . . . 73 PHE HB3 . 26530 1 521 . 1 . 1 73 73 PHE C C 13 175.750 0.000 . 1 . 3 . . . 73 PHE C . 26530 1 522 . 1 . 1 73 73 PHE CA C 13 57.979 0.035 . 1 . 3 . . . 73 PHE CA . 26530 1 523 . 1 . 1 73 73 PHE CB C 13 39.523 0.032 . 1 . 2 . . . 73 PHE CB . 26530 1 524 . 1 . 1 73 73 PHE N N 15 120.768 0.033 . 1 . 5 . . . 73 PHE N . 26530 1 525 . 1 . 1 74 74 ALA H H 1 8.095 0.002 . 1 . 3 . . . 74 ALA H . 26530 1 526 . 1 . 1 74 74 ALA HA H 1 4.200 0.010 . 1 . 3 . . . 74 ALA HA . 26530 1 527 . 1 . 1 74 74 ALA HB1 H 1 1.285 0.014 . 1 . 3 . . . 74 ALA MB . 26530 1 528 . 1 . 1 74 74 ALA HB2 H 1 1.285 0.014 . 1 . 3 . . . 74 ALA MB . 26530 1 529 . 1 . 1 74 74 ALA HB3 H 1 1.285 0.014 . 1 . 3 . . . 74 ALA MB . 26530 1 530 . 1 . 1 74 74 ALA C C 13 177.485 0.001 . 1 . 3 . . . 74 ALA C . 26530 1 531 . 1 . 1 74 74 ALA CA C 13 52.665 0.059 . 1 . 3 . . . 74 ALA CA . 26530 1 532 . 1 . 1 74 74 ALA CB C 13 19.232 0.038 . 1 . 3 . . . 74 ALA CB . 26530 1 533 . 1 . 1 74 74 ALA N N 15 124.560 0.014 . 1 . 5 . . . 74 ALA N . 26530 1 534 . 1 . 1 75 75 LYS H H 1 8.077 0.006 . 1 . 2 . . . 75 LYS H . 26530 1 535 . 1 . 1 75 75 LYS HA H 1 4.201 0.015 . 1 . 2 . . . 75 LYS HA . 26530 1 536 . 1 . 1 75 75 LYS HB2 H 1 1.673 0.012 . 1 . 2 . . . 75 LYS HB2 . 26530 1 537 . 1 . 1 75 75 LYS HB3 H 1 1.673 0.012 . 1 . 2 . . . 75 LYS HB3 . 26530 1 538 . 1 . 1 75 75 LYS C C 13 176.393 0.000 . 1 . 2 . . . 75 LYS C . 26530 1 539 . 1 . 1 75 75 LYS CA C 13 56.440 0.013 . 1 . 2 . . . 75 LYS CA . 26530 1 540 . 1 . 1 75 75 LYS CB C 13 33.020 0.035 . 1 . 2 . . . 75 LYS CB . 26530 1 541 . 1 . 1 75 75 LYS N N 15 119.805 0.074 . 1 . 4 . . . 75 LYS N . 26530 1 542 . 1 . 1 76 76 HIS HA H 1 4.611 0.022 . 1 . 2 . . . 76 HIS HA . 26530 1 543 . 1 . 1 76 76 HIS HB2 H 1 3.037 0.009 . 1 . 2 . . . 76 HIS HB2 . 26530 1 544 . 1 . 1 76 76 HIS HB3 H 1 3.037 0.009 . 1 . 2 . . . 76 HIS HB3 . 26530 1 545 . 1 . 1 76 76 HIS C C 13 175.948 0.000 . 1 . 2 . . . 76 HIS C . 26530 1 546 . 1 . 1 76 76 HIS CA C 13 56.351 0.076 . 1 . 2 . . . 76 HIS CA . 26530 1 547 . 1 . 1 76 76 HIS CB C 13 31.125 0.060 . 1 . 2 . . . 76 HIS CB . 26530 1 548 . 1 . 1 76 76 HIS N N 15 119.654 0.000 . 1 . 2 . . . 76 HIS N . 26530 1 549 . 1 . 1 77 77 GLY HA2 H 1 3.812 0.000 . 1 . 1 . . . 77 GLY HA2 . 26530 1 550 . 1 . 1 77 77 GLY HA3 H 1 3.812 0.000 . 1 . 1 . . . 77 GLY HA3 . 26530 1 551 . 1 . 1 77 77 GLY C C 13 173.922 0.001 . 1 . 3 . . . 77 GLY C . 26530 1 552 . 1 . 1 77 77 GLY CA C 13 45.398 0.059 . 1 . 3 . . . 77 GLY CA . 26530 1 553 . 1 . 1 77 77 GLY N N 15 109.823 0.000 . 1 . 2 . . . 77 GLY N . 26530 1 554 . 1 . 1 78 78 TYR H H 1 8.024 0.004 . 1 . 2 . . . 78 TYR H . 26530 1 555 . 1 . 1 78 78 TYR HA H 1 4.483 0.001 . 1 . 2 . . . 78 TYR HA . 26530 1 556 . 1 . 1 78 78 TYR HB2 H 1 2.966 0.005 . 1 . 3 . . . 78 TYR HB2 . 26530 1 557 . 1 . 1 78 78 TYR HB3 H 1 2.966 0.005 . 1 . 3 . . . 78 TYR HB3 . 26530 1 558 . 1 . 1 78 78 TYR C C 13 175.690 0.013 . 1 . 3 . . . 78 TYR C . 26530 1 559 . 1 . 1 78 78 TYR CA C 13 58.174 0.004 . 1 . 2 . . . 78 TYR CA . 26530 1 560 . 1 . 1 78 78 TYR CB C 13 38.754 0.011 . 1 . 3 . . . 78 TYR CB . 26530 1 561 . 1 . 1 78 78 TYR N N 15 120.094 0.021 . 1 . 4 . . . 78 TYR N . 26530 1 562 . 1 . 1 79 79 ALA H H 1 8.112 0.009 . 1 . 3 . . . 79 ALA H . 26530 1 563 . 1 . 1 79 79 ALA HA H 1 4.220 0.003 . 1 . 2 . . . 79 ALA HA . 26530 1 564 . 1 . 1 79 79 ALA HB1 H 1 1.304 0.005 . 1 . 2 . . . 79 ALA MB . 26530 1 565 . 1 . 1 79 79 ALA HB2 H 1 1.304 0.005 . 1 . 2 . . . 79 ALA MB . 26530 1 566 . 1 . 1 79 79 ALA HB3 H 1 1.304 0.005 . 1 . 2 . . . 79 ALA MB . 26530 1 567 . 1 . 1 79 79 ALA C C 13 177.126 0.025 . 1 . 3 . . . 79 ALA C . 26530 1 568 . 1 . 1 79 79 ALA CA C 13 52.589 0.004 . 1 . 2 . . . 79 ALA CA . 26530 1 569 . 1 . 1 79 79 ALA CB C 13 19.313 0.009 . 1 . 2 . . . 79 ALA CB . 26530 1 570 . 1 . 1 79 79 ALA N N 15 125.418 0.031 . 1 . 5 . . . 79 ALA N . 26530 1 571 . 1 . 1 80 80 ALA H H 1 8.004 0.003 . 1 . 3 . . . 80 ALA H . 26530 1 572 . 1 . 1 80 80 ALA HA H 1 4.238 0.006 . 1 . 3 . . . 80 ALA HA . 26530 1 573 . 1 . 1 80 80 ALA HB1 H 1 1.336 0.007 . 1 . 3 . . . 80 ALA MB . 26530 1 574 . 1 . 1 80 80 ALA HB2 H 1 1.336 0.007 . 1 . 3 . . . 80 ALA MB . 26530 1 575 . 1 . 1 80 80 ALA HB3 H 1 1.336 0.007 . 1 . 3 . . . 80 ALA MB . 26530 1 576 . 1 . 1 80 80 ALA C C 13 177.764 0.000 . 1 . 3 . . . 80 ALA C . 26530 1 577 . 1 . 1 80 80 ALA CA C 13 52.538 0.016 . 1 . 3 . . . 80 ALA CA . 26530 1 578 . 1 . 1 80 80 ALA CB C 13 19.186 0.082 . 1 . 3 . . . 80 ALA CB . 26530 1 579 . 1 . 1 80 80 ALA N N 15 122.721 0.047 . 1 . 5 . . . 80 ALA N . 26530 1 580 . 1 . 1 81 81 LEU H H 1 8.002 0.002 . 1 . 3 . . . 81 LEU H . 26530 1 581 . 1 . 1 81 81 LEU HA H 1 4.264 0.009 . 1 . 3 . . . 81 LEU HA . 26530 1 582 . 1 . 1 81 81 LEU HB2 H 1 1.595 0.003 . 1 . 3 . . . 81 LEU HB2 . 26530 1 583 . 1 . 1 81 81 LEU HB3 H 1 1.595 0.003 . 1 . 3 . . . 81 LEU HB3 . 26530 1 584 . 1 . 1 81 81 LEU C C 13 177.276 0.009 . 1 . 3 . . . 81 LEU C . 26530 1 585 . 1 . 1 81 81 LEU CA C 13 55.372 0.043 . 1 . 3 . . . 81 LEU CA . 26530 1 586 . 1 . 1 81 81 LEU CB C 13 42.272 0.065 . 1 . 3 . . . 81 LEU CB . 26530 1 587 . 1 . 1 81 81 LEU N N 15 120.832 0.025 . 1 . 5 . . . 81 LEU N . 26530 1 588 . 1 . 1 82 82 ALA H H 1 8.108 0.001 . 1 . 3 . . . 82 ALA H . 26530 1 589 . 1 . 1 82 82 ALA HA H 1 4.265 0.003 . 1 . 3 . . . 82 ALA HA . 26530 1 590 . 1 . 1 82 82 ALA HB1 H 1 1.353 0.005 . 1 . 3 . . . 82 ALA MB . 26530 1 591 . 1 . 1 82 82 ALA HB2 H 1 1.353 0.005 . 1 . 3 . . . 82 ALA MB . 26530 1 592 . 1 . 1 82 82 ALA HB3 H 1 1.353 0.005 . 1 . 3 . . . 82 ALA MB . 26530 1 593 . 1 . 1 82 82 ALA C C 13 177.705 0.000 . 1 . 3 . . . 82 ALA C . 26530 1 594 . 1 . 1 82 82 ALA CA C 13 52.663 0.030 . 1 . 3 . . . 82 ALA CA . 26530 1 595 . 1 . 1 82 82 ALA CB C 13 19.322 0.018 . 1 . 3 . . . 82 ALA CB . 26530 1 596 . 1 . 1 82 82 ALA N N 15 124.082 0.040 . 1 . 5 . . . 82 ALA N . 26530 1 597 . 1 . 1 83 83 GLU H H 1 8.208 0.003 . 1 . 3 . . . 83 GLU H . 26530 1 598 . 1 . 1 83 83 GLU HA H 1 4.221 0.016 . 1 . 3 . . . 83 GLU HA . 26530 1 599 . 1 . 1 83 83 GLU HB2 H 1 1.950 0.036 . 1 . 3 . . . 83 GLU HB2 . 26530 1 600 . 1 . 1 83 83 GLU HB3 H 1 1.950 0.036 . 1 . 3 . . . 83 GLU HB3 . 26530 1 601 . 1 . 1 83 83 GLU C C 13 176.444 0.008 . 1 . 3 . . . 83 GLU C . 26530 1 602 . 1 . 1 83 83 GLU CA C 13 56.669 0.039 . 1 . 3 . . . 83 GLU CA . 26530 1 603 . 1 . 1 83 83 GLU CB C 13 30.170 0.068 . 1 . 3 . . . 83 GLU CB . 26530 1 604 . 1 . 1 83 83 GLU N N 15 119.425 0.015 . 1 . 5 . . . 83 GLU N . 26530 1 605 . 1 . 1 84 84 LEU H H 1 8.079 0.003 . 1 . 3 . . . 84 LEU H . 26530 1 606 . 1 . 1 84 84 LEU HA H 1 4.327 0.035 . 1 . 2 . . . 84 LEU HA . 26530 1 607 . 1 . 1 84 84 LEU HB2 H 1 1.565 0.028 . 1 . 2 . . . 84 LEU HB2 . 26530 1 608 . 1 . 1 84 84 LEU HB3 H 1 1.565 0.028 . 1 . 2 . . . 84 LEU HB3 . 26530 1 609 . 1 . 1 84 84 LEU C C 13 177.219 0.006 . 1 . 3 . . . 84 LEU C . 26530 1 610 . 1 . 1 84 84 LEU CA C 13 55.223 0.020 . 1 . 2 . . . 84 LEU CA . 26530 1 611 . 1 . 1 84 84 LEU CB C 13 42.569 0.045 . 1 . 2 . . . 84 LEU CB . 26530 1 612 . 1 . 1 84 84 LEU N N 15 122.367 0.016 . 1 . 5 . . . 84 LEU N . 26530 1 613 . 1 . 1 85 85 ASP H H 1 8.314 0.002 . 1 . 3 . . . 85 ASP H . 26530 1 614 . 1 . 1 85 85 ASP HA H 1 4.614 0.006 . 1 . 2 . . . 85 ASP HA . 26530 1 615 . 1 . 1 85 85 ASP HB2 H 1 2.687 0.007 . 1 . 3 . . . 85 ASP HB2 . 26530 1 616 . 1 . 1 85 85 ASP HB3 H 1 2.687 0.007 . 1 . 3 . . . 85 ASP HB3 . 26530 1 617 . 1 . 1 85 85 ASP C C 13 176.673 0.002 . 1 . 3 . . . 85 ASP C . 26530 1 618 . 1 . 1 85 85 ASP CA C 13 54.212 0.009 . 1 . 2 . . . 85 ASP CA . 26530 1 619 . 1 . 1 85 85 ASP CB C 13 41.353 0.017 . 1 . 3 . . . 85 ASP CB . 26530 1 620 . 1 . 1 85 85 ASP N N 15 121.079 0.019 . 1 . 5 . . . 85 ASP N . 26530 1 621 . 1 . 1 86 86 SER H H 1 8.231 0.002 . 1 . 3 . . . 86 SER H . 26530 1 622 . 1 . 1 86 86 SER HA H 1 4.408 0.001 . 1 . 2 . . . 86 SER HA . 26530 1 623 . 1 . 1 86 86 SER HB2 H 1 3.888 0.017 . 1 . 3 . . . 86 SER HB2 . 26530 1 624 . 1 . 1 86 86 SER HB3 H 1 3.888 0.017 . 1 . 3 . . . 86 SER HB3 . 26530 1 625 . 1 . 1 86 86 SER C C 13 174.693 0.003 . 1 . 3 . . . 86 SER C . 26530 1 626 . 1 . 1 86 86 SER CA C 13 58.796 0.008 . 1 . 2 . . . 86 SER CA . 26530 1 627 . 1 . 1 86 86 SER CB C 13 63.675 0.027 . 1 . 3 . . . 86 SER CB . 26530 1 628 . 1 . 1 86 86 SER N N 15 116.149 0.033 . 1 . 5 . . . 86 SER N . 26530 1 629 . 1 . 1 87 87 ASN H H 1 8.447 0.001 . 1 . 2 . . . 87 ASN H . 26530 1 630 . 1 . 1 87 87 ASN HA H 1 4.738 0.016 . 1 . 3 . . . 87 ASN HA . 26530 1 631 . 1 . 1 87 87 ASN HB2 H 1 2.827 0.012 . 1 . 3 . . . 87 ASN HB2 . 26530 1 632 . 1 . 1 87 87 ASN HB3 H 1 2.827 0.012 . 1 . 3 . . . 87 ASN HB3 . 26530 1 633 . 1 . 1 87 87 ASN C C 13 175.799 0.002 . 1 . 3 . . . 87 ASN C . 26530 1 634 . 1 . 1 87 87 ASN CA C 13 53.526 0.018 . 1 . 3 . . . 87 ASN CA . 26530 1 635 . 1 . 1 87 87 ASN CB C 13 39.222 0.067 . 1 . 3 . . . 87 ASN CB . 26530 1 636 . 1 . 1 87 87 ASN N N 15 120.433 0.006 . 1 . 4 . . . 87 ASN N . 26530 1 637 . 1 . 1 88 88 GLY H H 1 8.274 0.000 . 1 . 2 . . . 88 GLY H . 26530 1 638 . 1 . 1 88 88 GLY HA2 H 1 3.924 0.004 . 1 . 3 . . . 88 GLY HA2 . 26530 1 639 . 1 . 1 88 88 GLY HA3 H 1 3.924 0.004 . 1 . 3 . . . 88 GLY HA3 . 26530 1 640 . 1 . 1 88 88 GLY C C 13 174.017 0.002 . 1 . 3 . . . 88 GLY C . 26530 1 641 . 1 . 1 88 88 GLY CA C 13 45.641 0.027 . 1 . 3 . . . 88 GLY CA . 26530 1 642 . 1 . 1 88 88 GLY N N 15 108.969 0.014 . 1 . 4 . . . 88 GLY N . 26530 1 643 . 1 . 1 89 89 ASP H H 1 8.233 0.000 . 1 . 3 . . . 89 ASP H . 26530 1 644 . 1 . 1 89 89 ASP HA H 1 4.599 0.009 . 1 . 3 . . . 89 ASP HA . 26530 1 645 . 1 . 1 89 89 ASP HB2 H 1 2.627 0.006 . 1 . 3 . . . 89 ASP HB2 . 26530 1 646 . 1 . 1 89 89 ASP HB3 H 1 2.627 0.006 . 1 . 3 . . . 89 ASP HB3 . 26530 1 647 . 1 . 1 89 89 ASP C C 13 176.085 0.004 . 1 . 3 . . . 89 ASP C . 26530 1 648 . 1 . 1 89 89 ASP CA C 13 54.589 0.021 . 1 . 3 . . . 89 ASP CA . 26530 1 649 . 1 . 1 89 89 ASP CB C 13 41.218 0.013 . 1 . 3 . . . 89 ASP CB . 26530 1 650 . 1 . 1 89 89 ASP N N 15 120.374 0.006 . 1 . 5 . . . 89 ASP N . 26530 1 651 . 1 . 1 90 90 ASN H H 1 8.346 0.004 . 1 . 3 . . . 90 ASN H . 26530 1 652 . 1 . 1 90 90 ASN HA H 1 4.668 0.008 . 1 . 3 . . . 90 ASN HA . 26530 1 653 . 1 . 1 90 90 ASN HB2 H 1 2.755 0.006 . 1 . 3 . . . 90 ASN HB2 . 26530 1 654 . 1 . 1 90 90 ASN HB3 H 1 2.755 0.006 . 1 . 3 . . . 90 ASN HB3 . 26530 1 655 . 1 . 1 90 90 ASN C C 13 175.076 0.008 . 1 . 3 . . . 90 ASN C . 26530 1 656 . 1 . 1 90 90 ASN CA C 13 53.503 0.041 . 1 . 3 . . . 90 ASN CA . 26530 1 657 . 1 . 1 90 90 ASN CB C 13 38.827 0.039 . 1 . 3 . . . 90 ASN CB . 26530 1 658 . 1 . 1 90 90 ASN N N 15 118.469 0.009 . 1 . 5 . . . 90 ASN N . 26530 1 659 . 1 . 1 91 91 ILE H H 1 8.031 0.001 . 1 . 3 . . . 91 ILE H . 26530 1 660 . 1 . 1 91 91 ILE HA H 1 4.117 0.004 . 1 . 2 . . . 91 ILE HA . 26530 1 661 . 1 . 1 91 91 ILE HB H 1 1.880 0.023 . 1 . 2 . . . 91 ILE HB . 26530 1 662 . 1 . 1 91 91 ILE C C 13 176.316 0.002 . 1 . 3 . . . 91 ILE C . 26530 1 663 . 1 . 1 91 91 ILE CA C 13 61.419 0.014 . 1 . 2 . . . 91 ILE CA . 26530 1 664 . 1 . 1 91 91 ILE CB C 13 38.584 0.018 . 1 . 2 . . . 91 ILE CB . 26530 1 665 . 1 . 1 91 91 ILE N N 15 121.261 0.039 . 1 . 5 . . . 91 ILE N . 26530 1 666 . 1 . 1 92 92 ILE H H 1 8.144 0.002 . 1 . 3 . . . 92 ILE H . 26530 1 667 . 1 . 1 92 92 ILE HA H 1 4.111 0.001 . 1 . 3 . . . 92 ILE HA . 26530 1 668 . 1 . 1 92 92 ILE HB H 1 1.815 0.007 . 1 . 2 . . . 92 ILE HB . 26530 1 669 . 1 . 1 92 92 ILE C C 13 175.901 0.013 . 1 . 3 . . . 92 ILE C . 26530 1 670 . 1 . 1 92 92 ILE CA C 13 61.157 0.066 . 1 . 3 . . . 92 ILE CA . 26530 1 671 . 1 . 1 92 92 ILE CB C 13 38.593 0.000 . 1 . 2 . . . 92 ILE CB . 26530 1 672 . 1 . 1 92 92 ILE N N 15 124.545 0.021 . 1 . 5 . . . 92 ILE N . 26530 1 673 . 1 . 1 93 93 ASN H H 1 8.426 0.009 . 1 . 3 . . . 93 ASN H . 26530 1 674 . 1 . 1 93 93 ASN HA H 1 4.690 0.005 . 1 . 3 . . . 93 ASN HA . 26530 1 675 . 1 . 1 93 93 ASN HB2 H 1 2.795 0.024 . 1 . 2 . . . 93 ASN HB2 . 26530 1 676 . 1 . 1 93 93 ASN HB3 H 1 2.795 0.024 . 1 . 2 . . . 93 ASN HB3 . 26530 1 677 . 1 . 1 93 93 ASN C C 13 175.104 0.001 . 1 . 3 . . . 93 ASN C . 26530 1 678 . 1 . 1 93 93 ASN CA C 13 53.084 0.114 . 1 . 3 . . . 93 ASN CA . 26530 1 679 . 1 . 1 93 93 ASN CB C 13 39.002 0.002 . 1 . 2 . . . 93 ASN CB . 26530 1 680 . 1 . 1 93 93 ASN N N 15 122.926 0.040 . 1 . 5 . . . 93 ASN N . 26530 1 681 . 1 . 1 94 94 ALA H H 1 8.271 0.003 . 1 . 3 . . . 94 ALA H . 26530 1 682 . 1 . 1 94 94 ALA HA H 1 4.171 0.002 . 1 . 2 . . . 94 ALA HA . 26530 1 683 . 1 . 1 94 94 ALA HB1 H 1 1.370 0.004 . 1 . 2 . . . 94 ALA MB . 26530 1 684 . 1 . 1 94 94 ALA HB2 H 1 1.370 0.004 . 1 . 2 . . . 94 ALA MB . 26530 1 685 . 1 . 1 94 94 ALA HB3 H 1 1.370 0.004 . 1 . 2 . . . 94 ALA MB . 26530 1 686 . 1 . 1 94 94 ALA C C 13 178.020 0.002 . 1 . 3 . . . 94 ALA C . 26530 1 687 . 1 . 1 94 94 ALA CA C 13 53.308 0.018 . 1 . 2 . . . 94 ALA CA . 26530 1 688 . 1 . 1 94 94 ALA CB C 13 19.091 0.019 . 1 . 2 . . . 94 ALA CB . 26530 1 689 . 1 . 1 94 94 ALA N N 15 125.140 0.081 . 1 . 5 . . . 94 ALA N . 26530 1 690 . 1 . 1 95 95 ALA H H 1 8.221 0.004 . 1 . 3 . . . 95 ALA H . 26530 1 691 . 1 . 1 95 95 ALA HA H 1 4.226 0.007 . 1 . 3 . . . 95 ALA HA . 26530 1 692 . 1 . 1 95 95 ALA HB1 H 1 1.383 0.005 . 1 . 3 . . . 95 ALA MB . 26530 1 693 . 1 . 1 95 95 ALA HB2 H 1 1.383 0.005 . 1 . 3 . . . 95 ALA MB . 26530 1 694 . 1 . 1 95 95 ALA HB3 H 1 1.383 0.005 . 1 . 3 . . . 95 ALA MB . 26530 1 695 . 1 . 1 95 95 ALA C C 13 178.089 0.002 . 1 . 3 . . . 95 ALA C . 26530 1 696 . 1 . 1 95 95 ALA CA C 13 53.211 0.012 . 1 . 3 . . . 95 ALA CA . 26530 1 697 . 1 . 1 95 95 ALA CB C 13 18.997 0.061 . 1 . 3 . . . 95 ALA CB . 26530 1 698 . 1 . 1 95 95 ALA N N 15 122.009 0.010 . 1 . 5 . . . 95 ALA N . 26530 1 699 . 1 . 1 96 96 ASP H H 1 8.035 0.003 . 1 . 3 . . . 96 ASP H . 26530 1 700 . 1 . 1 96 96 ASP HA H 1 4.532 0.001 . 1 . 2 . . . 96 ASP HA . 26530 1 701 . 1 . 1 96 96 ASP HB2 H 1 2.693 0.003 . 1 . 2 . . . 96 ASP HB2 . 26530 1 702 . 1 . 1 96 96 ASP HB3 H 1 2.693 0.003 . 1 . 2 . . . 96 ASP HB3 . 26530 1 703 . 1 . 1 96 96 ASP C C 13 176.858 0.004 . 1 . 3 . . . 96 ASP C . 26530 1 704 . 1 . 1 96 96 ASP CA C 13 54.788 0.019 . 1 . 2 . . . 96 ASP CA . 26530 1 705 . 1 . 1 96 96 ASP CB C 13 41.267 0.010 . 1 . 2 . . . 96 ASP CB . 26530 1 706 . 1 . 1 96 96 ASP N N 15 118.826 0.014 . 1 . 5 . . . 96 ASP N . 26530 1 707 . 1 . 1 97 97 ALA H H 1 8.083 0.005 . 1 . 3 . . . 97 ALA H . 26530 1 708 . 1 . 1 97 97 ALA HA H 1 4.181 0.002 . 1 . 2 . . . 97 ALA HA . 26530 1 709 . 1 . 1 97 97 ALA HB1 H 1 1.393 0.007 . 1 . 2 . . . 97 ALA MB . 26530 1 710 . 1 . 1 97 97 ALA HB2 H 1 1.393 0.007 . 1 . 2 . . . 97 ALA MB . 26530 1 711 . 1 . 1 97 97 ALA HB3 H 1 1.393 0.007 . 1 . 2 . . . 97 ALA MB . 26530 1 712 . 1 . 1 97 97 ALA C C 13 178.392 0.003 . 1 . 3 . . . 97 ALA C . 26530 1 713 . 1 . 1 97 97 ALA CA C 13 53.578 0.001 . 1 . 2 . . . 97 ALA CA . 26530 1 714 . 1 . 1 97 97 ALA CB C 13 18.944 0.010 . 1 . 2 . . . 97 ALA CB . 26530 1 715 . 1 . 1 97 97 ALA N N 15 124.305 0.024 . 1 . 5 . . . 97 ALA N . 26530 1 716 . 1 . 1 98 98 ALA H H 1 8.145 0.002 . 1 . 3 . . . 98 ALA H . 26530 1 717 . 1 . 1 98 98 ALA HA H 1 4.174 0.003 . 1 . 2 . . . 98 ALA HA . 26530 1 718 . 1 . 1 98 98 ALA HB1 H 1 1.301 0.010 . 1 . 3 . . . 98 ALA MB . 26530 1 719 . 1 . 1 98 98 ALA HB2 H 1 1.301 0.010 . 1 . 3 . . . 98 ALA MB . 26530 1 720 . 1 . 1 98 98 ALA HB3 H 1 1.301 0.010 . 1 . 3 . . . 98 ALA MB . 26530 1 721 . 1 . 1 98 98 ALA C C 13 178.356 0.003 . 1 . 3 . . . 98 ALA C . 26530 1 722 . 1 . 1 98 98 ALA CA C 13 53.396 0.085 . 1 . 2 . . . 98 ALA CA . 26530 1 723 . 1 . 1 98 98 ALA CB C 13 18.748 0.015 . 1 . 3 . . . 98 ALA CB . 26530 1 724 . 1 . 1 98 98 ALA N N 15 121.490 0.013 . 1 . 5 . . . 98 ALA N . 26530 1 725 . 1 . 1 99 99 PHE H H 1 7.926 0.003 . 1 . 2 . . . 99 PHE H . 26530 1 726 . 1 . 1 99 99 PHE HA H 1 4.496 0.000 . 1 . 1 . . . 99 PHE HA . 26530 1 727 . 1 . 1 99 99 PHE HB2 H 1 3.124 0.000 . 1 . 1 . . . 99 PHE HB2 . 26530 1 728 . 1 . 1 99 99 PHE HB3 H 1 3.124 0.000 . 1 . 1 . . . 99 PHE HB3 . 26530 1 729 . 1 . 1 99 99 PHE CA C 13 58.564 0.000 . 1 . 1 . . . 99 PHE CA . 26530 1 730 . 1 . 1 99 99 PHE CB C 13 39.236 0.000 . 1 . 1 . . . 99 PHE CB . 26530 1 731 . 1 . 1 99 99 PHE N N 15 118.278 0.020 . 1 . 4 . . . 99 PHE N . 26530 1 732 . 1 . 1 100 100 GLN HA H 1 4.253 0.000 . 1 . 1 . . . 100 GLN HA . 26530 1 733 . 1 . 1 100 100 GLN HB2 H 1 1.990 0.000 . 1 . 1 . . . 100 GLN HB2 . 26530 1 734 . 1 . 1 100 100 GLN HB3 H 1 1.990 0.000 . 1 . 1 . . . 100 GLN HB3 . 26530 1 735 . 1 . 1 100 100 GLN C C 13 176.337 0.000 . 1 . 1 . . . 100 GLN C . 26530 1 736 . 1 . 1 100 100 GLN CA C 13 56.427 0.000 . 1 . 1 . . . 100 GLN CA . 26530 1 737 . 1 . 1 100 100 GLN CB C 13 29.176 0.000 . 1 . 1 . . . 100 GLN CB . 26530 1 738 . 1 . 1 101 101 SER H H 1 8.103 0.000 . 1 . 1 . . . 101 SER H . 26530 1 739 . 1 . 1 101 101 SER HA H 1 4.351 0.000 . 1 . 1 . . . 101 SER HA . 26530 1 740 . 1 . 1 101 101 SER HB2 H 1 3.875 0.010 . 1 . 2 . . . 101 SER HB2 . 26530 1 741 . 1 . 1 101 101 SER HB3 H 1 3.875 0.010 . 1 . 2 . . . 101 SER HB3 . 26530 1 742 . 1 . 1 101 101 SER C C 13 174.674 0.008 . 1 . 3 . . . 101 SER C . 26530 1 743 . 1 . 1 101 101 SER CA C 13 59.049 0.000 . 1 . 1 . . . 101 SER CA . 26530 1 744 . 1 . 1 101 101 SER CB C 13 63.706 0.064 . 1 . 2 . . . 101 SER CB . 26530 1 745 . 1 . 1 101 101 SER N N 15 115.646 0.026 . 1 . 2 . . . 101 SER N . 26530 1 746 . 1 . 1 102 102 LEU H H 1 7.982 0.003 . 1 . 2 . . . 102 LEU H . 26530 1 747 . 1 . 1 102 102 LEU HA H 1 4.302 0.015 . 1 . 2 . . . 102 LEU HA . 26530 1 748 . 1 . 1 102 102 LEU HB2 H 1 1.599 0.010 . 1 . 2 . . . 102 LEU HB2 . 26530 1 749 . 1 . 1 102 102 LEU HB3 H 1 1.599 0.010 . 1 . 2 . . . 102 LEU HB3 . 26530 1 750 . 1 . 1 102 102 LEU C C 13 177.365 0.002 . 1 . 3 . . . 102 LEU C . 26530 1 751 . 1 . 1 102 102 LEU CA C 13 55.713 0.018 . 1 . 2 . . . 102 LEU CA . 26530 1 752 . 1 . 1 102 102 LEU CB C 13 42.266 0.066 . 1 . 2 . . . 102 LEU CB . 26530 1 753 . 1 . 1 102 102 LEU N N 15 123.214 0.016 . 1 . 4 . . . 102 LEU N . 26530 1 754 . 1 . 1 103 103 ARG H H 1 8.067 0.002 . 1 . 3 . . . 103 ARG H . 26530 1 755 . 1 . 1 103 103 ARG HA H 1 4.210 0.009 . 1 . 2 . . . 103 ARG HA . 26530 1 756 . 1 . 1 103 103 ARG HB2 H 1 1.684 0.011 . 1 . 2 . . . 103 ARG HB2 . 26530 1 757 . 1 . 1 103 103 ARG HB3 H 1 1.684 0.011 . 1 . 2 . . . 103 ARG HB3 . 26530 1 758 . 1 . 1 103 103 ARG C C 13 176.332 0.003 . 1 . 3 . . . 103 ARG C . 26530 1 759 . 1 . 1 103 103 ARG CA C 13 56.508 0.060 . 1 . 2 . . . 103 ARG CA . 26530 1 760 . 1 . 1 103 103 ARG CB C 13 30.539 0.015 . 1 . 2 . . . 103 ARG CB . 26530 1 761 . 1 . 1 103 103 ARG N N 15 121.186 0.014 . 1 . 5 . . . 103 ARG N . 26530 1 762 . 1 . 1 104 104 VAL H H 1 7.896 0.005 . 1 . 3 . . . 104 VAL H . 26530 1 763 . 1 . 1 104 104 VAL HA H 1 4.044 0.028 . 1 . 3 . . . 104 VAL HA . 26530 1 764 . 1 . 1 104 104 VAL HB H 1 2.008 0.014 . 1 . 2 . . . 104 VAL HB . 26530 1 765 . 1 . 1 104 104 VAL C C 13 176.124 0.007 . 1 . 3 . . . 104 VAL C . 26530 1 766 . 1 . 1 104 104 VAL CA C 13 62.636 0.113 . 1 . 3 . . . 104 VAL CA . 26530 1 767 . 1 . 1 104 104 VAL CB C 13 32.568 0.015 . 1 . 2 . . . 104 VAL CB . 26530 1 768 . 1 . 1 104 104 VAL N N 15 120.130 0.019 . 1 . 5 . . . 104 VAL N . 26530 1 769 . 1 . 1 105 105 TRP H H 1 8.092 0.005 . 1 . 3 . . . 105 TRP H . 26530 1 770 . 1 . 1 105 105 TRP HA H 1 4.574 0.000 . 1 . 2 . . . 105 TRP HA . 26530 1 771 . 1 . 1 105 105 TRP HB2 H 1 3.248 0.004 . 1 . 2 . . . 105 TRP HB2 . 26530 1 772 . 1 . 1 105 105 TRP HB3 H 1 3.248 0.004 . 1 . 2 . . . 105 TRP HB3 . 26530 1 773 . 1 . 1 105 105 TRP C C 13 176.348 0.004 . 1 . 3 . . . 105 TRP C . 26530 1 774 . 1 . 1 105 105 TRP CA C 13 57.915 0.002 . 1 . 2 . . . 105 TRP CA . 26530 1 775 . 1 . 1 105 105 TRP CB C 13 29.643 0.005 . 1 . 2 . . . 105 TRP CB . 26530 1 776 . 1 . 1 105 105 TRP N N 15 123.744 0.033 . 1 . 5 . . . 105 TRP N . 26530 1 777 . 1 . 1 106 106 GLN H H 1 8.035 0.003 . 1 . 3 . . . 106 GLN H . 26530 1 778 . 1 . 1 106 106 GLN HA H 1 4.158 0.016 . 1 . 3 . . . 106 GLN HA . 26530 1 779 . 1 . 1 106 106 GLN HB2 H 1 1.881 0.034 . 1 . 2 . . . 106 GLN HB2 . 26530 1 780 . 1 . 1 106 106 GLN HB3 H 1 1.881 0.034 . 1 . 2 . . . 106 GLN HB3 . 26530 1 781 . 1 . 1 106 106 GLN C C 13 175.362 0.004 . 1 . 3 . . . 106 GLN C . 26530 1 782 . 1 . 1 106 106 GLN CA C 13 56.177 0.070 . 1 . 3 . . . 106 GLN CA . 26530 1 783 . 1 . 1 106 106 GLN CB C 13 29.986 0.046 . 1 . 2 . . . 106 GLN CB . 26530 1 784 . 1 . 1 106 106 GLN N N 15 121.296 0.020 . 1 . 5 . . . 106 GLN N . 26530 1 785 . 1 . 1 107 107 ASP H H 1 8.145 0.006 . 1 . 3 . . . 107 ASP H . 26530 1 786 . 1 . 1 107 107 ASP HA H 1 4.496 0.005 . 1 . 2 . . . 107 ASP HA . 26530 1 787 . 1 . 1 107 107 ASP HB2 H 1 2.608 0.030 . 1 . 2 . . . 107 ASP HB2 . 26530 1 788 . 1 . 1 107 107 ASP HB3 H 1 2.608 0.030 . 1 . 2 . . . 107 ASP HB3 . 26530 1 789 . 1 . 1 107 107 ASP C C 13 176.448 0.003 . 1 . 3 . . . 107 ASP C . 26530 1 790 . 1 . 1 107 107 ASP CA C 13 54.565 0.012 . 1 . 2 . . . 107 ASP CA . 26530 1 791 . 1 . 1 107 107 ASP CB C 13 41.140 0.023 . 1 . 2 . . . 107 ASP CB . 26530 1 792 . 1 . 1 107 107 ASP N N 15 121.014 0.009 . 1 . 5 . . . 107 ASP N . 26530 1 793 . 1 . 1 108 108 LEU H H 1 8.047 0.001 . 1 . 3 . . . 108 LEU H . 26530 1 794 . 1 . 1 108 108 LEU HA H 1 4.270 0.035 . 1 . 2 . . . 108 LEU HA . 26530 1 795 . 1 . 1 108 108 LEU HB2 H 1 1.572 0.005 . 1 . 2 . . . 108 LEU HB2 . 26530 1 796 . 1 . 1 108 108 LEU HB3 H 1 1.572 0.005 . 1 . 2 . . . 108 LEU HB3 . 26530 1 797 . 1 . 1 108 108 LEU C C 13 177.379 0.014 . 1 . 3 . . . 108 LEU C . 26530 1 798 . 1 . 1 108 108 LEU CA C 13 55.431 0.181 . 1 . 2 . . . 108 LEU CA . 26530 1 799 . 1 . 1 108 108 LEU CB C 13 42.424 0.140 . 1 . 2 . . . 108 LEU CB . 26530 1 800 . 1 . 1 108 108 LEU N N 15 122.230 0.044 . 1 . 5 . . . 108 LEU N . 26530 1 801 . 1 . 1 109 109 ASN H H 1 8.316 0.002 . 1 . 2 . . . 109 ASN H . 26530 1 802 . 1 . 1 109 109 ASN HA H 1 4.647 0.007 . 1 . 3 . . . 109 ASN HA . 26530 1 803 . 1 . 1 109 109 ASN HB2 H 1 2.740 0.010 . 1 . 3 . . . 109 ASN HB2 . 26530 1 804 . 1 . 1 109 109 ASN HB3 H 1 2.740 0.010 . 1 . 3 . . . 109 ASN HB3 . 26530 1 805 . 1 . 1 109 109 ASN C C 13 175.442 0.004 . 1 . 3 . . . 109 ASN C . 26530 1 806 . 1 . 1 109 109 ASN CA C 13 53.493 0.037 . 1 . 3 . . . 109 ASN CA . 26530 1 807 . 1 . 1 109 109 ASN CB C 13 38.817 0.044 . 1 . 3 . . . 109 ASN CB . 26530 1 808 . 1 . 1 109 109 ASN N N 15 118.699 0.007 . 1 . 4 . . . 109 ASN N . 26530 1 809 . 1 . 1 110 110 GLN H H 1 8.243 0.006 . 1 . 2 . . . 110 GLN H . 26530 1 810 . 1 . 1 110 110 GLN HA H 1 4.277 0.008 . 1 . 3 . . . 110 GLN HA . 26530 1 811 . 1 . 1 110 110 GLN HB2 H 1 2.065 0.007 . 1 . 2 . . . 110 GLN HB2 . 26530 1 812 . 1 . 1 110 110 GLN HB3 H 1 2.065 0.007 . 1 . 2 . . . 110 GLN HB3 . 26530 1 813 . 1 . 1 110 110 GLN C C 13 175.901 0.011 . 1 . 3 . . . 110 GLN C . 26530 1 814 . 1 . 1 110 110 GLN CA C 13 56.330 0.021 . 1 . 3 . . . 110 GLN CA . 26530 1 815 . 1 . 1 110 110 GLN CB C 13 29.280 0.005 . 1 . 2 . . . 110 GLN CB . 26530 1 816 . 1 . 1 110 110 GLN N N 15 120.351 0.004 . 1 . 4 . . . 110 GLN N . 26530 1 817 . 1 . 1 111 111 ASP H H 1 8.311 0.000 . 1 . 3 . . . 111 ASP H . 26530 1 818 . 1 . 1 111 111 ASP HA H 1 4.594 0.023 . 1 . 3 . . . 111 ASP HA . 26530 1 819 . 1 . 1 111 111 ASP HB2 H 1 2.659 0.012 . 1 . 3 . . . 111 ASP HB2 . 26530 1 820 . 1 . 1 111 111 ASP HB3 H 1 2.659 0.012 . 1 . 3 . . . 111 ASP HB3 . 26530 1 821 . 1 . 1 111 111 ASP C C 13 176.858 0.009 . 1 . 3 . . . 111 ASP C . 26530 1 822 . 1 . 1 111 111 ASP CA C 13 54.752 0.083 . 1 . 3 . . . 111 ASP CA . 26530 1 823 . 1 . 1 111 111 ASP CB C 13 41.292 0.049 . 1 . 3 . . . 111 ASP CB . 26530 1 824 . 1 . 1 111 111 ASP N N 15 120.724 0.009 . 1 . 5 . . . 111 ASP N . 26530 1 825 . 1 . 1 112 112 GLY H H 1 8.247 0.007 . 1 . 3 . . . 112 GLY H . 26530 1 826 . 1 . 1 112 112 GLY HA2 H 1 3.928 0.009 . 1 . 3 . . . 112 GLY HA2 . 26530 1 827 . 1 . 1 112 112 GLY HA3 H 1 3.928 0.009 . 1 . 3 . . . 112 GLY HA3 . 26530 1 828 . 1 . 1 112 112 GLY C C 13 174.442 0.002 . 1 . 3 . . . 112 GLY C . 26530 1 829 . 1 . 1 112 112 GLY CA C 13 45.706 0.027 . 1 . 3 . . . 112 GLY CA . 26530 1 830 . 1 . 1 112 112 GLY N N 15 108.933 0.013 . 1 . 5 . . . 112 GLY N . 26530 1 831 . 1 . 1 113 113 ILE H H 1 7.889 0.002 . 1 . 3 . . . 113 ILE H . 26530 1 832 . 1 . 1 113 113 ILE HA H 1 4.160 0.011 . 1 . 3 . . . 113 ILE HA . 26530 1 833 . 1 . 1 113 113 ILE HB H 1 1.866 0.003 . 1 . 2 . . . 113 ILE HB . 26530 1 834 . 1 . 1 113 113 ILE C C 13 176.604 0.002 . 1 . 3 . . . 113 ILE C . 26530 1 835 . 1 . 1 113 113 ILE CA C 13 61.443 0.062 . 1 . 3 . . . 113 ILE CA . 26530 1 836 . 1 . 1 113 113 ILE CB C 13 38.689 0.080 . 1 . 2 . . . 113 ILE CB . 26530 1 837 . 1 . 1 113 113 ILE N N 15 120.019 0.001 . 1 . 5 . . . 113 ILE N . 26530 1 838 . 1 . 1 114 114 SER H H 1 8.398 0.006 . 1 . 3 . . . 114 SER H . 26530 1 839 . 1 . 1 114 114 SER HA H 1 4.430 0.009 . 1 . 2 . . . 114 SER HA . 26530 1 840 . 1 . 1 114 114 SER HB2 H 1 3.871 0.006 . 1 . 2 . . . 114 SER HB2 . 26530 1 841 . 1 . 1 114 114 SER HB3 H 1 3.871 0.006 . 1 . 2 . . . 114 SER HB3 . 26530 1 842 . 1 . 1 114 114 SER C C 13 174.859 0.004 . 1 . 3 . . . 114 SER C . 26530 1 843 . 1 . 1 114 114 SER CA C 13 58.659 0.018 . 1 . 2 . . . 114 SER CA . 26530 1 844 . 1 . 1 114 114 SER CB C 13 63.734 0.023 . 1 . 2 . . . 114 SER CB . 26530 1 845 . 1 . 1 114 114 SER N N 15 119.460 0.018 . 1 . 5 . . . 114 SER N . 26530 1 846 . 1 . 1 115 115 GLN H H 1 8.381 0.001 . 1 . 2 . . . 115 GLN H . 26530 1 847 . 1 . 1 115 115 GLN HA H 1 4.324 0.000 . 1 . 2 . . . 115 GLN HA . 26530 1 848 . 1 . 1 115 115 GLN HB2 H 1 2.076 0.000 . 1 . 1 . . . 115 GLN HB2 . 26530 1 849 . 1 . 1 115 115 GLN HB3 H 1 2.076 0.000 . 1 . 1 . . . 115 GLN HB3 . 26530 1 850 . 1 . 1 115 115 GLN C C 13 175.980 0.005 . 1 . 3 . . . 115 GLN C . 26530 1 851 . 1 . 1 115 115 GLN CA C 13 56.190 0.036 . 1 . 2 . . . 115 GLN CA . 26530 1 852 . 1 . 1 115 115 GLN CB C 13 29.452 0.000 . 1 . 1 . . . 115 GLN CB . 26530 1 853 . 1 . 1 115 115 GLN N N 15 122.456 0.036 . 1 . 4 . . . 115 GLN N . 26530 1 854 . 1 . 1 116 116 ALA H H 1 8.236 0.004 . 1 . 3 . . . 116 ALA H . 26530 1 855 . 1 . 1 116 116 ALA HA H 1 4.258 0.019 . 1 . 2 . . . 116 ALA HA . 26530 1 856 . 1 . 1 116 116 ALA HB1 H 1 1.365 0.007 . 1 . 3 . . . 116 ALA MB . 26530 1 857 . 1 . 1 116 116 ALA HB2 H 1 1.365 0.007 . 1 . 3 . . . 116 ALA MB . 26530 1 858 . 1 . 1 116 116 ALA HB3 H 1 1.365 0.007 . 1 . 3 . . . 116 ALA MB . 26530 1 859 . 1 . 1 116 116 ALA C C 13 177.887 0.005 . 1 . 3 . . . 116 ALA C . 26530 1 860 . 1 . 1 116 116 ALA CA C 13 53.114 0.070 . 1 . 2 . . . 116 ALA CA . 26530 1 861 . 1 . 1 116 116 ALA CB C 13 19.026 0.058 . 1 . 3 . . . 116 ALA CB . 26530 1 862 . 1 . 1 116 116 ALA N N 15 124.338 0.013 . 1 . 5 . . . 116 ALA N . 26530 1 863 . 1 . 1 117 117 ASN H H 1 8.310 0.000 . 1 . 2 . . . 117 ASN H . 26530 1 864 . 1 . 1 117 117 ASN HA H 1 4.633 0.020 . 1 . 3 . . . 117 ASN HA . 26530 1 865 . 1 . 1 117 117 ASN HB2 H 1 2.785 0.021 . 1 . 3 . . . 117 ASN HB2 . 26530 1 866 . 1 . 1 117 117 ASN HB3 H 1 2.785 0.021 . 1 . 3 . . . 117 ASN HB3 . 26530 1 867 . 1 . 1 117 117 ASN C C 13 175.559 0.002 . 1 . 3 . . . 117 ASN C . 26530 1 868 . 1 . 1 117 117 ASN CA C 13 53.743 0.058 . 1 . 3 . . . 117 ASN CA . 26530 1 869 . 1 . 1 117 117 ASN CB C 13 38.818 0.011 . 1 . 3 . . . 117 ASN CB . 26530 1 870 . 1 . 1 117 117 ASN N N 15 117.527 0.009 . 1 . 4 . . . 117 ASN N . 26530 1 871 . 1 . 1 118 118 GLU H H 1 8.308 0.001 . 1 . 3 . . . 118 GLU H . 26530 1 872 . 1 . 1 118 118 GLU HA H 1 4.226 0.004 . 1 . 3 . . . 118 GLU HA . 26530 1 873 . 1 . 1 118 118 GLU HB2 H 1 1.990 0.013 . 1 . 3 . . . 118 GLU HB2 . 26530 1 874 . 1 . 1 118 118 GLU HB3 H 1 1.990 0.013 . 1 . 3 . . . 118 GLU HB3 . 26530 1 875 . 1 . 1 118 118 GLU C C 13 176.616 0.005 . 1 . 3 . . . 118 GLU C . 26530 1 876 . 1 . 1 118 118 GLU CA C 13 57.110 0.096 . 1 . 3 . . . 118 GLU CA . 26530 1 877 . 1 . 1 118 118 GLU CB C 13 30.217 0.034 . 1 . 3 . . . 118 GLU CB . 26530 1 878 . 1 . 1 118 118 GLU N N 15 121.091 0.006 . 1 . 5 . . . 118 GLU N . 26530 1 879 . 1 . 1 119 119 LEU H H 1 8.133 0.004 . 1 . 3 . . . 119 LEU H . 26530 1 880 . 1 . 1 119 119 LEU HA H 1 4.278 0.012 . 1 . 3 . . . 119 LEU HA . 26530 1 881 . 1 . 1 119 119 LEU HB2 H 1 1.630 0.025 . 1 . 3 . . . 119 LEU HB2 . 26530 1 882 . 1 . 1 119 119 LEU HB3 H 1 1.630 0.025 . 1 . 3 . . . 119 LEU HB3 . 26530 1 883 . 1 . 1 119 119 LEU C C 13 177.600 0.004 . 1 . 3 . . . 119 LEU C . 26530 1 884 . 1 . 1 119 119 LEU CA C 13 55.680 0.047 . 1 . 3 . . . 119 LEU CA . 26530 1 885 . 1 . 1 119 119 LEU CB C 13 42.069 0.055 . 1 . 3 . . . 119 LEU CB . 26530 1 886 . 1 . 1 119 119 LEU N N 15 122.317 0.026 . 1 . 5 . . . 119 LEU N . 26530 1 887 . 1 . 1 120 120 ARG H H 1 8.169 0.003 . 1 . 3 . . . 120 ARG H . 26530 1 888 . 1 . 1 120 120 ARG HA H 1 4.399 0.020 . 1 . 3 . . . 120 ARG HA . 26530 1 889 . 1 . 1 120 120 ARG HB2 H 1 1.796 0.025 . 1 . 2 . . . 120 ARG HB2 . 26530 1 890 . 1 . 1 120 120 ARG HB3 H 1 1.796 0.025 . 1 . 2 . . . 120 ARG HB3 . 26530 1 891 . 1 . 1 120 120 ARG C C 13 176.757 0.003 . 1 . 3 . . . 120 ARG C . 26530 1 892 . 1 . 1 120 120 ARG CA C 13 56.528 0.059 . 1 . 3 . . . 120 ARG CA . 26530 1 893 . 1 . 1 120 120 ARG CB C 13 30.940 0.006 . 1 . 2 . . . 120 ARG CB . 26530 1 894 . 1 . 1 120 120 ARG N N 15 121.408 0.020 . 1 . 5 . . . 120 ARG N . 26530 1 895 . 1 . 1 121 121 THR H H 1 8.156 0.001 . 1 . 3 . . . 121 THR H . 26530 1 896 . 1 . 1 121 121 THR HA H 1 4.273 0.002 . 1 . 2 . . . 121 THR HA . 26530 1 897 . 1 . 1 121 121 THR HB H 1 4.300 0.010 . 1 . 2 . . . 121 THR HB . 26530 1 898 . 1 . 1 121 121 THR C C 13 174.996 0.002 . 1 . 3 . . . 121 THR C . 26530 1 899 . 1 . 1 121 121 THR CA C 13 62.448 0.034 . 1 . 2 . . . 121 THR CA . 26530 1 900 . 1 . 1 121 121 THR CB C 13 69.902 0.020 . 1 . 2 . . . 121 THR CB . 26530 1 901 . 1 . 1 121 121 THR N N 15 114.889 0.025 . 1 . 5 . . . 121 THR N . 26530 1 902 . 1 . 1 122 122 LEU H H 1 8.206 0.002 . 1 . 3 . . . 122 LEU H . 26530 1 903 . 1 . 1 122 122 LEU HA H 1 4.211 0.006 . 1 . 3 . . . 122 LEU HA . 26530 1 904 . 1 . 1 122 122 LEU HB2 H 1 1.648 0.006 . 1 . 2 . . . 122 LEU HB2 . 26530 1 905 . 1 . 1 122 122 LEU HB3 H 1 1.648 0.006 . 1 . 2 . . . 122 LEU HB3 . 26530 1 906 . 1 . 1 122 122 LEU C C 13 178.330 0.009 . 1 . 3 . . . 122 LEU C . 26530 1 907 . 1 . 1 122 122 LEU CA C 13 56.532 0.029 . 1 . 3 . . . 122 LEU CA . 26530 1 908 . 1 . 1 122 122 LEU CB C 13 41.923 0.027 . 1 . 2 . . . 122 LEU CB . 26530 1 909 . 1 . 1 122 122 LEU N N 15 122.830 0.018 . 1 . 5 . . . 122 LEU N . 26530 1 910 . 1 . 1 123 123 GLU H H 1 8.326 0.002 . 1 . 3 . . . 123 GLU H . 26530 1 911 . 1 . 1 123 123 GLU HA H 1 4.150 0.003 . 1 . 2 . . . 123 GLU HA . 26530 1 912 . 1 . 1 123 123 GLU HB2 H 1 2.007 0.007 . 1 . 2 . . . 123 GLU HB2 . 26530 1 913 . 1 . 1 123 123 GLU HB3 H 1 2.007 0.007 . 1 . 2 . . . 123 GLU HB3 . 26530 1 914 . 1 . 1 123 123 GLU C C 13 177.694 0.019 . 1 . 3 . . . 123 GLU C . 26530 1 915 . 1 . 1 123 123 GLU CA C 13 57.932 0.043 . 1 . 2 . . . 123 GLU CA . 26530 1 916 . 1 . 1 123 123 GLU CB C 13 30.047 0.025 . 1 . 2 . . . 123 GLU CB . 26530 1 917 . 1 . 1 123 123 GLU N N 15 120.479 0.009 . 1 . 5 . . . 123 GLU N . 26530 1 918 . 1 . 1 124 124 GLU H H 1 8.182 0.001 . 1 . 3 . . . 124 GLU H . 26530 1 919 . 1 . 1 124 124 GLU HA H 1 4.174 0.007 . 1 . 3 . . . 124 GLU HA . 26530 1 920 . 1 . 1 124 124 GLU HB2 H 1 2.021 0.000 . 1 . 1 . . . 124 GLU HB2 . 26530 1 921 . 1 . 1 124 124 GLU HB3 H 1 2.021 0.000 . 1 . 1 . . . 124 GLU HB3 . 26530 1 922 . 1 . 1 124 124 GLU C C 13 177.194 0.004 . 1 . 3 . . . 124 GLU C . 26530 1 923 . 1 . 1 124 124 GLU CA C 13 57.424 0.061 . 1 . 3 . . . 124 GLU CA . 26530 1 924 . 1 . 1 124 124 GLU CB C 13 30.089 0.023 . 1 . 2 . . . 124 GLU CB . 26530 1 925 . 1 . 1 124 124 GLU N N 15 120.861 0.015 . 1 . 5 . . . 124 GLU N . 26530 1 926 . 1 . 1 125 125 LEU H H 1 8.069 0.000 . 1 . 2 . . . 125 LEU H . 26530 1 927 . 1 . 1 125 125 LEU HA H 1 4.274 0.000 . 1 . 2 . . . 125 LEU HA . 26530 1 928 . 1 . 1 125 125 LEU HB2 H 1 1.569 0.000 . 2 . 1 . . . 125 LEU HB2 . 26530 1 929 . 1 . 1 125 125 LEU HB3 H 1 1.713 0.000 . 2 . 1 . . . 125 LEU HB3 . 26530 1 930 . 1 . 1 125 125 LEU C C 13 178.175 0.001 . 1 . 3 . . . 125 LEU C . 26530 1 931 . 1 . 1 125 125 LEU CA C 13 55.740 0.005 . 1 . 2 . . . 125 LEU CA . 26530 1 932 . 1 . 1 125 125 LEU CB C 13 42.568 0.018 . 1 . 4 . . . 125 LEU CB . 26530 1 933 . 1 . 1 125 125 LEU N N 15 121.264 0.004 . 1 . 4 . . . 125 LEU N . 26530 1 934 . 1 . 1 126 126 GLY H H 1 8.162 0.002 . 1 . 3 . . . 126 GLY H . 26530 1 935 . 1 . 1 126 126 GLY HA2 H 1 3.929 0.000 . 1 . 1 . . . 126 GLY HA2 . 26530 1 936 . 1 . 1 126 126 GLY HA3 H 1 3.929 0.000 . 1 . 1 . . . 126 GLY HA3 . 26530 1 937 . 1 . 1 126 126 GLY C C 13 174.479 0.005 . 1 . 3 . . . 126 GLY C . 26530 1 938 . 1 . 1 126 126 GLY CA C 13 45.669 0.002 . 1 . 3 . . . 126 GLY CA . 26530 1 939 . 1 . 1 126 126 GLY N N 15 108.352 0.032 . 1 . 5 . . . 126 GLY N . 26530 1 940 . 1 . 1 127 127 ILE H H 1 7.829 0.004 . 1 . 3 . . . 127 ILE H . 26530 1 941 . 1 . 1 127 127 ILE HA H 1 4.135 0.006 . 1 . 3 . . . 127 ILE HA . 26530 1 942 . 1 . 1 127 127 ILE HB H 1 1.868 0.007 . 1 . 2 . . . 127 ILE HB . 26530 1 943 . 1 . 1 127 127 ILE C C 13 176.423 0.005 . 1 . 3 . . . 127 ILE C . 26530 1 944 . 1 . 1 127 127 ILE CA C 13 61.477 0.073 . 1 . 3 . . . 127 ILE CA . 26530 1 945 . 1 . 1 127 127 ILE CB C 13 38.703 0.036 . 1 . 2 . . . 127 ILE CB . 26530 1 946 . 1 . 1 127 127 ILE N N 15 119.664 0.007 . 1 . 5 . . . 127 ILE N . 26530 1 947 . 1 . 1 128 128 GLN H H 1 8.391 0.003 . 1 . 3 . . . 128 GLN H . 26530 1 948 . 1 . 1 128 128 GLN HA H 1 4.335 0.000 . 1 . 2 . . . 128 GLN HA . 26530 1 949 . 1 . 1 128 128 GLN HB2 H 1 2.072 0.013 . 1 . 2 . . . 128 GLN HB2 . 26530 1 950 . 1 . 1 128 128 GLN HB3 H 1 2.072 0.013 . 1 . 2 . . . 128 GLN HB3 . 26530 1 951 . 1 . 1 128 128 GLN C C 13 176.070 0.000 . 1 . 3 . . . 128 GLN C . 26530 1 952 . 1 . 1 128 128 GLN CA C 13 56.137 0.002 . 1 . 2 . . . 128 GLN CA . 26530 1 953 . 1 . 1 128 128 GLN CB C 13 29.504 0.104 . 1 . 2 . . . 128 GLN CB . 26530 1 954 . 1 . 1 128 128 GLN N N 15 123.497 0.039 . 1 . 5 . . . 128 GLN N . 26530 1 955 . 1 . 1 129 129 SER H H 1 8.189 0.004 . 1 . 3 . . . 129 SER H . 26530 1 956 . 1 . 1 129 129 SER HA H 1 4.386 0.011 . 1 . 3 . . . 129 SER HA . 26530 1 957 . 1 . 1 129 129 SER HB2 H 1 3.849 0.006 . 1 . 2 . . . 129 SER HB2 . 26530 1 958 . 1 . 1 129 129 SER HB3 H 1 3.849 0.006 . 1 . 2 . . . 129 SER HB3 . 26530 1 959 . 1 . 1 129 129 SER C C 13 174.710 0.007 . 1 . 3 . . . 129 SER C . 26530 1 960 . 1 . 1 129 129 SER CA C 13 58.443 0.077 . 1 . 3 . . . 129 SER CA . 26530 1 961 . 1 . 1 129 129 SER CB C 13 63.740 0.021 . 1 . 2 . . . 129 SER CB . 26530 1 962 . 1 . 1 129 129 SER N N 15 116.420 0.075 . 1 . 5 . . . 129 SER N . 26530 1 963 . 1 . 1 130 130 LEU H H 1 8.218 0.001 . 1 . 3 . . . 130 LEU H . 26530 1 964 . 1 . 1 130 130 LEU HA H 1 4.304 0.002 . 1 . 3 . . . 130 LEU HA . 26530 1 965 . 1 . 1 130 130 LEU HB2 H 1 1.606 0.005 . 1 . 3 . . . 130 LEU HB2 . 26530 1 966 . 1 . 1 130 130 LEU HB3 H 1 1.606 0.005 . 1 . 3 . . . 130 LEU HB3 . 26530 1 967 . 1 . 1 130 130 LEU C C 13 177.121 0.002 . 1 . 3 . . . 130 LEU C . 26530 1 968 . 1 . 1 130 130 LEU CA C 13 55.634 0.064 . 1 . 3 . . . 130 LEU CA . 26530 1 969 . 1 . 1 130 130 LEU CB C 13 42.453 0.083 . 1 . 3 . . . 130 LEU CB . 26530 1 970 . 1 . 1 130 130 LEU N N 15 124.080 0.005 . 1 . 5 . . . 130 LEU N . 26530 1 971 . 1 . 1 131 131 ASP H H 1 8.213 0.002 . 1 . 3 . . . 131 ASP H . 26530 1 972 . 1 . 1 131 131 ASP HA H 1 4.541 0.011 . 1 . 3 . . . 131 ASP HA . 26530 1 973 . 1 . 1 131 131 ASP HB2 H 1 2.633 0.013 . 1 . 2 . . . 131 ASP HB2 . 26530 1 974 . 1 . 1 131 131 ASP HB3 H 1 2.633 0.013 . 1 . 2 . . . 131 ASP HB3 . 26530 1 975 . 1 . 1 131 131 ASP C C 13 176.613 0.010 . 1 . 3 . . . 131 ASP C . 26530 1 976 . 1 . 1 131 131 ASP CA C 13 54.641 0.028 . 1 . 3 . . . 131 ASP CA . 26530 1 977 . 1 . 1 131 131 ASP CB C 13 41.142 0.063 . 1 . 3 . . . 131 ASP CB . 26530 1 978 . 1 . 1 131 131 ASP N N 15 120.453 0.015 . 1 . 5 . . . 131 ASP N . 26530 1 979 . 1 . 1 132 132 LEU H H 1 8.002 0.001 . 1 . 3 . . . 132 LEU H . 26530 1 980 . 1 . 1 132 132 LEU HA H 1 4.241 0.019 . 1 . 3 . . . 132 LEU HA . 26530 1 981 . 1 . 1 132 132 LEU HB2 H 1 1.606 0.000 . 1 . 1 . . . 132 LEU HB2 . 26530 1 982 . 1 . 1 132 132 LEU HB3 H 1 1.606 0.000 . 1 . 1 . . . 132 LEU HB3 . 26530 1 983 . 1 . 1 132 132 LEU C C 13 177.514 0.009 . 1 . 3 . . . 132 LEU C . 26530 1 984 . 1 . 1 132 132 LEU CA C 13 55.619 0.021 . 1 . 3 . . . 132 LEU CA . 26530 1 985 . 1 . 1 132 132 LEU CB C 13 42.064 0.090 . 1 . 3 . . . 132 LEU CB . 26530 1 986 . 1 . 1 132 132 LEU N N 15 122.313 0.024 . 1 . 5 . . . 132 LEU N . 26530 1 987 . 1 . 1 133 133 ALA H H 1 8.108 0.003 . 1 . 3 . . . 133 ALA H . 26530 1 988 . 1 . 1 133 133 ALA HA H 1 4.206 0.007 . 1 . 3 . . . 133 ALA HA . 26530 1 989 . 1 . 1 133 133 ALA HB1 H 1 1.307 0.002 . 1 . 3 . . . 133 ALA MB . 26530 1 990 . 1 . 1 133 133 ALA HB2 H 1 1.307 0.002 . 1 . 3 . . . 133 ALA MB . 26530 1 991 . 1 . 1 133 133 ALA HB3 H 1 1.307 0.002 . 1 . 3 . . . 133 ALA MB . 26530 1 992 . 1 . 1 133 133 ALA C C 13 177.861 0.021 . 1 . 3 . . . 133 ALA C . 26530 1 993 . 1 . 1 133 133 ALA CA C 13 53.043 0.045 . 1 . 3 . . . 133 ALA CA . 26530 1 994 . 1 . 1 133 133 ALA CB C 13 18.969 0.038 . 1 . 3 . . . 133 ALA CB . 26530 1 995 . 1 . 1 133 133 ALA N N 15 123.068 0.023 . 1 . 5 . . . 133 ALA N . 26530 1 996 . 1 . 1 134 134 TYR H H 1 7.880 0.002 . 1 . 3 . . . 134 TYR H . 26530 1 997 . 1 . 1 134 134 TYR HA H 1 4.448 0.009 . 1 . 2 . . . 134 TYR HA . 26530 1 998 . 1 . 1 134 134 TYR HB2 H 1 3.014 0.003 . 1 . 2 . . . 134 TYR HB2 . 26530 1 999 . 1 . 1 134 134 TYR HB3 H 1 3.014 0.003 . 1 . 2 . . . 134 TYR HB3 . 26530 1 1000 . 1 . 1 134 134 TYR C C 13 175.922 0.000 . 1 . 2 . . . 134 TYR C . 26530 1 1001 . 1 . 1 134 134 TYR CA C 13 58.213 0.004 . 1 . 2 . . . 134 TYR CA . 26530 1 1002 . 1 . 1 134 134 TYR CB C 13 38.361 0.009 . 1 . 2 . . . 134 TYR CB . 26530 1 1003 . 1 . 1 134 134 TYR N N 15 118.184 0.064 . 1 . 5 . . . 134 TYR N . 26530 1 1004 . 1 . 1 135 135 LYS H H 1 7.829 0.015 . 1 . 2 . . . 135 LYS H . 26530 1 1005 . 1 . 1 135 135 LYS HA H 1 4.211 0.024 . 1 . 3 . . . 135 LYS HA . 26530 1 1006 . 1 . 1 135 135 LYS HB2 H 1 1.711 0.000 . 1 . 1 . . . 135 LYS HB2 . 26530 1 1007 . 1 . 1 135 135 LYS HB3 H 1 1.711 0.000 . 1 . 1 . . . 135 LYS HB3 . 26530 1 1008 . 1 . 1 135 135 LYS C C 13 175.948 0.027 . 1 . 3 . . . 135 LYS C . 26530 1 1009 . 1 . 1 135 135 LYS CA C 13 56.446 0.093 . 1 . 3 . . . 135 LYS CA . 26530 1 1010 . 1 . 1 135 135 LYS CB C 13 33.202 0.000 . 1 . 1 . . . 135 LYS CB . 26530 1 1011 . 1 . 1 135 135 LYS N N 15 122.142 0.099 . 1 . 4 . . . 135 LYS N . 26530 1 1012 . 1 . 1 136 136 ASP H H 1 8.147 0.002 . 1 . 3 . . . 136 ASP H . 26530 1 1013 . 1 . 1 136 136 ASP HA H 1 4.581 0.018 . 1 . 3 . . . 136 ASP HA . 26530 1 1014 . 1 . 1 136 136 ASP HB2 H 1 2.664 0.006 . 1 . 3 . . . 136 ASP HB2 . 26530 1 1015 . 1 . 1 136 136 ASP HB3 H 1 2.664 0.006 . 1 . 3 . . . 136 ASP HB3 . 26530 1 1016 . 1 . 1 136 136 ASP C C 13 176.611 0.012 . 1 . 3 . . . 136 ASP C . 26530 1 1017 . 1 . 1 136 136 ASP CA C 13 54.502 0.145 . 1 . 3 . . . 136 ASP CA . 26530 1 1018 . 1 . 1 136 136 ASP CB C 13 41.197 0.071 . 1 . 3 . . . 136 ASP CB . 26530 1 1019 . 1 . 1 136 136 ASP N N 15 120.973 0.105 . 1 . 5 . . . 136 ASP N . 26530 1 1020 . 1 . 1 137 137 VAL H H 1 7.925 0.001 . 1 . 2 . . . 137 VAL H . 26530 1 1021 . 1 . 1 137 137 VAL HA H 1 4.052 0.000 . 1 . 1 . . . 137 VAL HA . 26530 1 1022 . 1 . 1 137 137 VAL HB H 1 2.121 0.000 . 1 . 1 . . . 137 VAL HB . 26530 1 1023 . 1 . 1 137 137 VAL CA C 13 62.843 0.000 . 1 . 1 . . . 137 VAL CA . 26530 1 1024 . 1 . 1 137 137 VAL CB C 13 32.287 0.000 . 1 . 1 . . . 137 VAL CB . 26530 1 1025 . 1 . 1 137 137 VAL N N 15 119.714 0.007 . 1 . 4 . . . 137 VAL N . 26530 1 1026 . 1 . 1 139 139 LYS HA H 1 4.227 0.000 . 1 . 1 . . . 139 LYS HA . 26530 1 1027 . 1 . 1 139 139 LYS HB2 H 1 1.777 0.000 . 1 . 1 . . . 139 LYS HB2 . 26530 1 1028 . 1 . 1 139 139 LYS HB3 H 1 1.777 0.000 . 1 . 1 . . . 139 LYS HB3 . 26530 1 1029 . 1 . 1 139 139 LYS C C 13 176.301 0.000 . 1 . 1 . . . 139 LYS C . 26530 1 1030 . 1 . 1 139 139 LYS CA C 13 56.730 0.000 . 1 . 1 . . . 139 LYS CA . 26530 1 1031 . 1 . 1 139 139 LYS CB C 13 32.819 0.000 . 1 . 1 . . . 139 LYS CB . 26530 1 1032 . 1 . 1 140 140 ASN HA H 1 4.689 0.001 . 1 . 2 . . . 140 ASN HA . 26530 1 1033 . 1 . 1 140 140 ASN HB2 H 1 2.785 0.000 . 1 . 1 . . . 140 ASN HB2 . 26530 1 1034 . 1 . 1 140 140 ASN HB3 H 1 2.785 0.000 . 1 . 1 . . . 140 ASN HB3 . 26530 1 1035 . 1 . 1 140 140 ASN C C 13 175.255 0.005 . 1 . 2 . . . 140 ASN C . 26530 1 1036 . 1 . 1 140 140 ASN CA C 13 53.395 0.039 . 1 . 2 . . . 140 ASN CA . 26530 1 1037 . 1 . 1 140 140 ASN CB C 13 38.739 0.000 . 1 . 1 . . . 140 ASN CB . 26530 1 1038 . 1 . 1 140 140 ASN N N 15 118.746 0.000 . 1 . 1 . . . 140 ASN N . 26530 1 1039 . 1 . 1 141 141 LEU H H 1 8.108 0.005 . 1 . 2 . . . 141 LEU H . 26530 1 1040 . 1 . 1 141 141 LEU HA H 1 4.327 0.009 . 1 . 2 . . . 141 LEU HA . 26530 1 1041 . 1 . 1 141 141 LEU HB2 H 1 1.632 0.004 . 1 . 2 . . . 141 LEU HB2 . 26530 1 1042 . 1 . 1 141 141 LEU HB3 H 1 1.632 0.004 . 1 . 2 . . . 141 LEU HB3 . 26530 1 1043 . 1 . 1 141 141 LEU C C 13 177.959 0.000 . 1 . 1 . . . 141 LEU C . 26530 1 1044 . 1 . 1 141 141 LEU CA C 13 55.590 0.094 . 1 . 2 . . . 141 LEU CA . 26530 1 1045 . 1 . 1 141 141 LEU CB C 13 42.234 0.068 . 1 . 2 . . . 141 LEU CB . 26530 1 1046 . 1 . 1 141 141 LEU N N 15 122.098 0.051 . 1 . 3 . . . 141 LEU N . 26530 1 1047 . 1 . 1 142 142 GLY HA2 H 1 3.947 0.000 . 1 . 1 . . . 142 GLY HA2 . 26530 1 1048 . 1 . 1 142 142 GLY HA3 H 1 3.947 0.000 . 1 . 1 . . . 142 GLY HA3 . 26530 1 1049 . 1 . 1 142 142 GLY CA C 13 45.558 0.000 . 1 . 1 . . . 142 GLY CA . 26530 1 1050 . 1 . 1 142 142 GLY N N 15 108.812 0.000 . 1 . 1 . . . 142 GLY N . 26530 1 1051 . 1 . 1 147 147 LEU HA H 1 4.293 0.003 . 1 . 2 . . . 147 LEU HA . 26530 1 1052 . 1 . 1 147 147 LEU HB2 H 1 1.601 0.000 . 1 . 1 . . . 147 LEU HB2 . 26530 1 1053 . 1 . 1 147 147 LEU HB3 H 1 1.601 0.000 . 1 . 1 . . . 147 LEU HB3 . 26530 1 1054 . 1 . 1 147 147 LEU C C 13 177.445 0.009 . 1 . 2 . . . 147 LEU C . 26530 1 1055 . 1 . 1 147 147 LEU CA C 13 55.578 0.075 . 1 . 2 . . . 147 LEU CA . 26530 1 1056 . 1 . 1 147 147 LEU CB C 13 42.175 0.000 . 1 . 1 . . . 147 LEU CB . 26530 1 1057 . 1 . 1 148 148 ALA H H 1 8.124 0.012 . 1 . 2 . . . 148 ALA H . 26530 1 1058 . 1 . 1 148 148 ALA HA H 1 4.289 0.021 . 1 . 3 . . . 148 ALA HA . 26530 1 1059 . 1 . 1 148 148 ALA HB1 H 1 1.358 0.011 . 1 . 3 . . . 148 ALA MB . 26530 1 1060 . 1 . 1 148 148 ALA HB2 H 1 1.358 0.011 . 1 . 3 . . . 148 ALA MB . 26530 1 1061 . 1 . 1 148 148 ALA HB3 H 1 1.358 0.011 . 1 . 3 . . . 148 ALA MB . 26530 1 1062 . 1 . 1 148 148 ALA C C 13 177.466 0.000 . 1 . 1 . . . 148 ALA C . 26530 1 1063 . 1 . 1 148 148 ALA CA C 13 52.657 0.101 . 1 . 3 . . . 148 ALA CA . 26530 1 1064 . 1 . 1 148 148 ALA CB C 13 19.401 0.234 . 1 . 3 . . . 148 ALA CB . 26530 1 1065 . 1 . 1 148 148 ALA N N 15 123.921 0.020 . 1 . 3 . . . 148 ALA N . 26530 1 1066 . 1 . 1 149 149 GLN HA H 1 4.297 0.013 . 1 . 2 . . . 149 GLN HA . 26530 1 1067 . 1 . 1 149 149 GLN HB2 H 1 2.067 0.000 . 1 . 1 . . . 149 GLN HB2 . 26530 1 1068 . 1 . 1 149 149 GLN HB3 H 1 2.067 0.000 . 1 . 1 . . . 149 GLN HB3 . 26530 1 1069 . 1 . 1 149 149 GLN C C 13 176.204 0.000 . 1 . 1 . . . 149 GLN C . 26530 1 1070 . 1 . 1 149 149 GLN CA C 13 56.050 0.056 . 1 . 2 . . . 149 GLN CA . 26530 1 1071 . 1 . 1 149 149 GLN CB C 13 29.469 0.000 . 1 . 1 . . . 149 GLN CB . 26530 1 1072 . 1 . 1 149 149 GLN N N 15 120.658 0.000 . 1 . 1 . . . 149 GLN N . 26530 1 1073 . 1 . 1 150 150 GLN HA H 1 4.309 0.003 . 1 . 2 . . . 150 GLN HA . 26530 1 1074 . 1 . 1 150 150 GLN HB2 H 1 2.091 0.032 . 1 . 2 . . . 150 GLN HB2 . 26530 1 1075 . 1 . 1 150 150 GLN HB3 H 1 2.091 0.032 . 1 . 2 . . . 150 GLN HB3 . 26530 1 1076 . 1 . 1 150 150 GLN C C 13 176.535 0.000 . 1 . 1 . . . 150 GLN C . 26530 1 1077 . 1 . 1 150 150 GLN CA C 13 56.263 0.037 . 1 . 2 . . . 150 GLN CA . 26530 1 1078 . 1 . 1 150 150 GLN CB C 13 29.363 0.123 . 1 . 2 . . . 150 GLN CB . 26530 1 1079 . 1 . 1 150 150 GLN N N 15 121.011 0.000 . 1 . 1 . . . 150 GLN N . 26530 1 1080 . 1 . 1 151 151 GLY HA2 H 1 3.950 0.000 . 1 . 1 . . . 151 GLY HA2 . 26530 1 1081 . 1 . 1 151 151 GLY HA3 H 1 3.950 0.000 . 1 . 1 . . . 151 GLY HA3 . 26530 1 1082 . 1 . 1 151 151 GLY CA C 13 45.485 0.000 . 1 . 1 . . . 151 GLY CA . 26530 1 1083 . 1 . 1 151 151 GLY N N 15 109.716 0.000 . 1 . 1 . . . 151 GLY N . 26530 1 1084 . 1 . 1 152 152 SER HA H 1 4.391 0.000 . 1 . 1 . . . 152 SER HA . 26530 1 1085 . 1 . 1 152 152 SER HB2 H 1 3.778 0.000 . 1 . 1 . . . 152 SER HB2 . 26530 1 1086 . 1 . 1 152 152 SER HB3 H 1 3.778 0.000 . 1 . 1 . . . 152 SER HB3 . 26530 1 1087 . 1 . 1 152 152 SER C C 13 174.273 0.000 . 1 . 1 . . . 152 SER C . 26530 1 1088 . 1 . 1 152 152 SER CA C 13 58.326 0.000 . 1 . 1 . . . 152 SER CA . 26530 1 1089 . 1 . 1 152 152 SER CB C 13 63.790 0.000 . 1 . 1 . . . 152 SER CB . 26530 1 1090 . 1 . 1 153 153 TYR N N 15 122.033 0.000 . 1 . 1 . . . 153 TYR N . 26530 1 1091 . 1 . 1 162 162 LYS HA H 1 4.314 0.000 . 1 . 1 . . . 162 LYS HA . 26530 1 1092 . 1 . 1 162 162 LYS HB2 H 1 1.791 0.000 . 1 . 1 . . . 162 LYS HB2 . 26530 1 1093 . 1 . 1 162 162 LYS HB3 H 1 1.791 0.000 . 1 . 1 . . . 162 LYS HB3 . 26530 1 1094 . 1 . 1 162 162 LYS C C 13 176.654 0.000 . 1 . 1 . . . 162 LYS C . 26530 1 1095 . 1 . 1 162 162 LYS CA C 13 56.168 0.000 . 1 . 1 . . . 162 LYS CA . 26530 1 1096 . 1 . 1 162 162 LYS CB C 13 33.066 0.000 . 1 . 1 . . . 162 LYS CB . 26530 1 1097 . 1 . 1 163 163 MET HA H 1 4.297 0.000 . 1 . 1 . . . 163 MET HA . 26530 1 1098 . 1 . 1 163 163 MET CA C 13 56.007 0.000 . 1 . 1 . . . 163 MET CA . 26530 1 1099 . 1 . 1 163 163 MET N N 15 121.672 0.000 . 1 . 1 . . . 163 MET N . 26530 1 1100 . 1 . 1 164 164 GLY H H 1 8.375 0.000 . 1 . 1 . . . 164 GLY H . 26530 1 1101 . 1 . 1 164 164 GLY HA2 H 1 3.927 0.003 . 1 . 2 . . . 164 GLY HA2 . 26530 1 1102 . 1 . 1 164 164 GLY HA3 H 1 3.927 0.003 . 1 . 2 . . . 164 GLY HA3 . 26530 1 1103 . 1 . 1 164 164 GLY C C 13 174.020 0.004 . 1 . 3 . . . 164 GLY C . 26530 1 1104 . 1 . 1 164 164 GLY CA C 13 45.598 0.006 . 1 . 2 . . . 164 GLY CA . 26530 1 1105 . 1 . 1 164 164 GLY N N 15 109.826 0.000 . 1 . 1 . . . 164 GLY N . 26530 1 1106 . 1 . 1 165 165 ASP H H 1 8.133 0.004 . 1 . 3 . . . 165 ASP H . 26530 1 1107 . 1 . 1 165 165 ASP HA H 1 4.560 0.009 . 1 . 3 . . . 165 ASP HA . 26530 1 1108 . 1 . 1 165 165 ASP HB2 H 1 2.626 0.014 . 1 . 3 . . . 165 ASP HB2 . 26530 1 1109 . 1 . 1 165 165 ASP HB3 H 1 2.626 0.014 . 1 . 3 . . . 165 ASP HB3 . 26530 1 1110 . 1 . 1 165 165 ASP C C 13 176.628 0.002 . 1 . 3 . . . 165 ASP C . 26530 1 1111 . 1 . 1 165 165 ASP CA C 13 54.719 0.040 . 1 . 3 . . . 165 ASP CA . 26530 1 1112 . 1 . 1 165 165 ASP CB C 13 41.223 0.024 . 1 . 3 . . . 165 ASP CB . 26530 1 1113 . 1 . 1 165 165 ASP N N 15 120.587 0.018 . 1 . 5 . . . 165 ASP N . 26530 1 1114 . 1 . 1 166 166 LEU H H 1 8.090 0.002 . 1 . 3 . . . 166 LEU H . 26530 1 1115 . 1 . 1 166 166 LEU HA H 1 4.264 0.003 . 1 . 2 . . . 166 LEU HA . 26530 1 1116 . 1 . 1 166 166 LEU HB2 H 1 1.614 0.002 . 1 . 2 . . . 166 LEU HB2 . 26530 1 1117 . 1 . 1 166 166 LEU HB3 H 1 1.614 0.002 . 1 . 2 . . . 166 LEU HB3 . 26530 1 1118 . 1 . 1 166 166 LEU C C 13 177.434 0.008 . 1 . 3 . . . 166 LEU C . 26530 1 1119 . 1 . 1 166 166 LEU CA C 13 55.701 0.018 . 1 . 2 . . . 166 LEU CA . 26530 1 1120 . 1 . 1 166 166 LEU CB C 13 42.218 0.036 . 1 . 2 . . . 166 LEU CB . 26530 1 1121 . 1 . 1 166 166 LEU N N 15 122.056 0.006 . 1 . 5 . . . 166 LEU N . 26530 1 1122 . 1 . 1 167 167 LEU H H 1 8.103 0.000 . 1 . 2 . . . 167 LEU H . 26530 1 1123 . 1 . 1 167 167 LEU HA H 1 4.298 0.001 . 1 . 2 . . . 167 LEU HA . 26530 1 1124 . 1 . 1 167 167 LEU HB2 H 1 1.607 0.005 . 1 . 2 . . . 167 LEU HB2 . 26530 1 1125 . 1 . 1 167 167 LEU HB3 H 1 1.607 0.005 . 1 . 2 . . . 167 LEU HB3 . 26530 1 1126 . 1 . 1 167 167 LEU C C 13 177.292 0.009 . 1 . 3 . . . 167 LEU C . 26530 1 1127 . 1 . 1 167 167 LEU CA C 13 55.492 0.030 . 1 . 2 . . . 167 LEU CA . 26530 1 1128 . 1 . 1 167 167 LEU CB C 13 42.126 0.031 . 1 . 2 . . . 167 LEU CB . 26530 1 1129 . 1 . 1 167 167 LEU N N 15 122.073 0.014 . 1 . 5 . . . 167 LEU N . 26530 1 1130 . 1 . 1 168 168 LEU H H 1 7.975 0.004 . 1 . 3 . . . 168 LEU H . 26530 1 1131 . 1 . 1 168 168 LEU HA H 1 4.334 0.019 . 1 . 3 . . . 168 LEU HA . 26530 1 1132 . 1 . 1 168 168 LEU HB2 H 1 1.594 0.002 . 1 . 3 . . . 168 LEU HB2 . 26530 1 1133 . 1 . 1 168 168 LEU HB3 H 1 1.594 0.002 . 1 . 3 . . . 168 LEU HB3 . 26530 1 1134 . 1 . 1 168 168 LEU C C 13 177.087 0.003 . 1 . 3 . . . 168 LEU C . 26530 1 1135 . 1 . 1 168 168 LEU CA C 13 55.212 0.105 . 1 . 3 . . . 168 LEU CA . 26530 1 1136 . 1 . 1 168 168 LEU CB C 13 42.354 0.034 . 1 . 3 . . . 168 LEU CB . 26530 1 1137 . 1 . 1 168 168 LEU N N 15 122.308 0.009 . 1 . 5 . . . 168 LEU N . 26530 1 1138 . 1 . 1 169 169 ALA H H 1 8.075 0.005 . 1 . 3 . . . 169 ALA H . 26530 1 1139 . 1 . 1 169 169 ALA HA H 1 4.275 0.006 . 1 . 2 . . . 169 ALA HA . 26530 1 1140 . 1 . 1 169 169 ALA HB1 H 1 1.383 0.004 . 1 . 2 . . . 169 ALA MB . 26530 1 1141 . 1 . 1 169 169 ALA HB2 H 1 1.383 0.004 . 1 . 2 . . . 169 ALA MB . 26530 1 1142 . 1 . 1 169 169 ALA HB3 H 1 1.383 0.004 . 1 . 2 . . . 169 ALA MB . 26530 1 1143 . 1 . 1 169 169 ALA C C 13 177.587 0.005 . 1 . 3 . . . 169 ALA C . 26530 1 1144 . 1 . 1 169 169 ALA CA C 13 52.538 0.020 . 1 . 2 . . . 169 ALA CA . 26530 1 1145 . 1 . 1 169 169 ALA CB C 13 19.282 0.008 . 1 . 2 . . . 169 ALA CB . 26530 1 1146 . 1 . 1 169 169 ALA N N 15 124.345 0.013 . 1 . 5 . . . 169 ALA N . 26530 1 1147 . 1 . 1 170 170 ALA H H 1 8.137 0.003 . 1 . 3 . . . 170 ALA H . 26530 1 1148 . 1 . 1 170 170 ALA HA H 1 4.256 0.006 . 1 . 3 . . . 170 ALA HA . 26530 1 1149 . 1 . 1 170 170 ALA HB1 H 1 1.378 0.010 . 1 . 3 . . . 170 ALA MB . 26530 1 1150 . 1 . 1 170 170 ALA HB2 H 1 1.378 0.010 . 1 . 3 . . . 170 ALA MB . 26530 1 1151 . 1 . 1 170 170 ALA HB3 H 1 1.378 0.010 . 1 . 3 . . . 170 ALA MB . 26530 1 1152 . 1 . 1 170 170 ALA C C 13 177.617 0.000 . 1 . 3 . . . 170 ALA C . 26530 1 1153 . 1 . 1 170 170 ALA CA C 13 52.838 0.032 . 1 . 3 . . . 170 ALA CA . 26530 1 1154 . 1 . 1 170 170 ALA CB C 13 19.239 0.021 . 1 . 3 . . . 170 ALA CB . 26530 1 1155 . 1 . 1 170 170 ALA N N 15 122.816 0.007 . 1 . 5 . . . 170 ALA N . 26530 1 1156 . 1 . 1 171 171 ASP H H 1 8.158 0.003 . 1 . 3 . . . 171 ASP H . 26530 1 1157 . 1 . 1 171 171 ASP HA H 1 4.544 0.001 . 1 . 2 . . . 171 ASP HA . 26530 1 1158 . 1 . 1 171 171 ASP HB2 H 1 2.671 0.013 . 1 . 2 . . . 171 ASP HB2 . 26530 1 1159 . 1 . 1 171 171 ASP HB3 H 1 2.671 0.013 . 1 . 2 . . . 171 ASP HB3 . 26530 1 1160 . 1 . 1 171 171 ASP C C 13 176.211 0.001 . 1 . 3 . . . 171 ASP C . 26530 1 1161 . 1 . 1 171 171 ASP CA C 13 54.460 0.037 . 1 . 2 . . . 171 ASP CA . 26530 1 1162 . 1 . 1 171 171 ASP CB C 13 41.172 0.009 . 1 . 2 . . . 171 ASP CB . 26530 1 1163 . 1 . 1 171 171 ASP N N 15 118.527 0.014 . 1 . 5 . . . 171 ASP N . 26530 1 1164 . 1 . 1 172 172 ASN H H 1 8.208 0.003 . 1 . 2 . . . 172 ASN H . 26530 1 1165 . 1 . 1 172 172 ASN HA H 1 4.666 0.008 . 1 . 3 . . . 172 ASN HA . 26530 1 1166 . 1 . 1 172 172 ASN HB2 H 1 2.777 0.024 . 1 . 3 . . . 172 ASN HB2 . 26530 1 1167 . 1 . 1 172 172 ASN HB3 H 1 2.777 0.024 . 1 . 3 . . . 172 ASN HB3 . 26530 1 1168 . 1 . 1 172 172 ASN C C 13 175.457 0.001 . 1 . 3 . . . 172 ASN C . 26530 1 1169 . 1 . 1 172 172 ASN CA C 13 53.573 0.056 . 1 . 3 . . . 172 ASN CA . 26530 1 1170 . 1 . 1 172 172 ASN CB C 13 38.838 0.048 . 1 . 3 . . . 172 ASN CB . 26530 1 1171 . 1 . 1 172 172 ASN N N 15 118.233 0.013 . 1 . 4 . . . 172 ASN N . 26530 1 1172 . 1 . 1 173 173 LEU H H 1 8.100 0.001 . 1 . 2 . . . 173 LEU H . 26530 1 1173 . 1 . 1 173 173 LEU HA H 1 4.217 0.000 . 1 . 1 . . . 173 LEU HA . 26530 1 1174 . 1 . 1 173 173 LEU HB2 H 1 1.505 0.000 . 1 . 1 . . . 173 LEU HB2 . 26530 1 1175 . 1 . 1 173 173 LEU HB3 H 1 1.505 0.000 . 1 . 1 . . . 173 LEU HB3 . 26530 1 1176 . 1 . 1 173 173 LEU CA C 13 55.990 0.000 . 1 . 1 . . . 173 LEU CA . 26530 1 1177 . 1 . 1 173 173 LEU CB C 13 42.106 0.000 . 1 . 1 . . . 173 LEU CB . 26530 1 1178 . 1 . 1 173 173 LEU N N 15 121.441 0.018 . 1 . 4 . . . 173 LEU N . 26530 1 1179 . 1 . 1 174 174 HIS HA H 1 4.583 0.000 . 1 . 1 . . . 174 HIS HA . 26530 1 1180 . 1 . 1 174 174 HIS HB2 H 1 3.113 0.000 . 1 . 1 . . . 174 HIS HB2 . 26530 1 1181 . 1 . 1 174 174 HIS HB3 H 1 3.113 0.000 . 1 . 1 . . . 174 HIS HB3 . 26530 1 1182 . 1 . 1 174 174 HIS C C 13 175.717 0.000 . 1 . 1 . . . 174 HIS C . 26530 1 1183 . 1 . 1 174 174 HIS CA C 13 56.558 0.000 . 1 . 1 . . . 174 HIS CA . 26530 1 1184 . 1 . 1 174 174 HIS CB C 13 30.645 0.000 . 1 . 1 . . . 174 HIS CB . 26530 1 1185 . 1 . 1 175 175 SER HA H 1 4.361 0.000 . 1 . 1 . . . 175 SER HA . 26530 1 1186 . 1 . 1 175 175 SER HB2 H 1 3.801 0.000 . 1 . 1 . . . 175 SER HB2 . 26530 1 1187 . 1 . 1 175 175 SER HB3 H 1 3.801 0.000 . 1 . 1 . . . 175 SER HB3 . 26530 1 1188 . 1 . 1 175 175 SER C C 13 174.482 0.000 . 1 . 1 . . . 175 SER C . 26530 1 1189 . 1 . 1 175 175 SER CA C 13 58.586 0.000 . 1 . 1 . . . 175 SER CA . 26530 1 1190 . 1 . 1 175 175 SER CB C 13 63.663 0.000 . 1 . 1 . . . 175 SER CB . 26530 1 1191 . 1 . 1 175 175 SER N N 15 115.994 0.000 . 1 . 1 . . . 175 SER N . 26530 1 1192 . 1 . 1 176 176 ARG H H 1 8.183 0.000 . 1 . 1 . . . 176 ARG H . 26530 1 1193 . 1 . 1 176 176 ARG HA H 1 4.260 0.013 . 1 . 3 . . . 176 ARG HA . 26530 1 1194 . 1 . 1 176 176 ARG HB2 H 1 1.674 0.000 . 1 . 1 . . . 176 ARG HB2 . 26530 1 1195 . 1 . 1 176 176 ARG HB3 H 1 1.674 0.000 . 1 . 1 . . . 176 ARG HB3 . 26530 1 1196 . 1 . 1 176 176 ARG C C 13 175.808 0.011 . 1 . 2 . . . 176 ARG C . 26530 1 1197 . 1 . 1 176 176 ARG CA C 13 56.293 0.039 . 1 . 3 . . . 176 ARG CA . 26530 1 1198 . 1 . 1 176 176 ARG CB C 13 30.728 0.000 . 1 . 1 . . . 176 ARG CB . 26530 1 1199 . 1 . 1 176 176 ARG N N 15 122.388 0.025 . 1 . 2 . . . 176 ARG N . 26530 1 1200 . 1 . 1 177 177 PHE H H 1 8.133 0.004 . 1 . 3 . . . 177 PHE H . 26530 1 1201 . 1 . 1 177 177 PHE HA H 1 4.647 0.007 . 1 . 3 . . . 177 PHE HA . 26530 1 1202 . 1 . 1 177 177 PHE HB2 H 1 2.960 0.011 . 2 . 3 . . . 177 PHE HB2 . 26530 1 1203 . 1 . 1 177 177 PHE HB3 H 1 3.183 0.020 . 2 . 3 . . . 177 PHE HB3 . 26530 1 1204 . 1 . 1 177 177 PHE C C 13 175.344 0.001 . 1 . 2 . . . 177 PHE C . 26530 1 1205 . 1 . 1 177 177 PHE CA C 13 57.606 0.052 . 1 . 3 . . . 177 PHE CA . 26530 1 1206 . 1 . 1 177 177 PHE CB C 13 39.412 0.091 . 1 . 6 . . . 177 PHE CB . 26530 1 1207 . 1 . 1 177 177 PHE N N 15 120.600 0.024 . 1 . 4 . . . 177 PHE N . 26530 1 1208 . 1 . 1 178 178 LEU H H 1 8.046 0.000 . 1 . 3 . . . 178 LEU H . 26530 1 1209 . 1 . 1 178 178 LEU HA H 1 4.347 0.004 . 1 . 3 . . . 178 LEU HA . 26530 1 1210 . 1 . 1 178 178 LEU HB2 H 1 1.596 0.004 . 1 . 3 . . . 178 LEU HB2 . 26530 1 1211 . 1 . 1 178 178 LEU HB3 H 1 1.596 0.004 . 1 . 3 . . . 178 LEU HB3 . 26530 1 1212 . 1 . 1 178 178 LEU C C 13 175.967 0.002 . 1 . 2 . . . 178 LEU C . 26530 1 1213 . 1 . 1 178 178 LEU CA C 13 55.114 0.020 . 1 . 3 . . . 178 LEU CA . 26530 1 1214 . 1 . 1 178 178 LEU CB C 13 42.601 0.020 . 1 . 3 . . . 178 LEU CB . 26530 1 1215 . 1 . 1 178 178 LEU N N 15 123.853 0.007 . 1 . 4 . . . 178 LEU N . 26530 1 1216 . 1 . 1 179 179 GLU H H 1 7.739 0.002 . 1 . 2 . . . 179 GLU H . 26530 1 1217 . 1 . 1 179 179 GLU HA H 1 4.077 0.000 . 1 . 1 . . . 179 GLU HA . 26530 1 1218 . 1 . 1 179 179 GLU HB2 H 1 1.925 0.000 . 1 . 1 . . . 179 GLU HB2 . 26530 1 1219 . 1 . 1 179 179 GLU HB3 H 1 1.925 0.000 . 1 . 1 . . . 179 GLU HB3 . 26530 1 1220 . 1 . 1 179 179 GLU CA C 13 58.010 0.000 . 1 . 1 . . . 179 GLU CA . 26530 1 1221 . 1 . 1 179 179 GLU CB C 13 31.343 0.000 . 1 . 1 . . . 179 GLU CB . 26530 1 1222 . 1 . 1 179 179 GLU N N 15 126.362 0.006 . 1 . 3 . . . 179 GLU N . 26530 1 stop_ save_