data_50771 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50771 _Entry.Title ; The 1H, 15N, and 13C resonance assignments of the N-terminal domain of the nucleocapsid protein from the Middle East Respiratory Syndrome Coronavirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-17 _Entry.Accession_date 2021-02-17 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _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 Talita 'de Araujo' . S. . 0000-0003-0509-0386 50771 2 Glauce Barbosa . M. . 0000-0003-4285-4170 50771 3 Karoline Sanches . . . 0000-0002-7259-6363 50771 4 Jessica Azevedo . M. . 0000-0001-8689-302X 50771 5 Katia Cabral . . . 0000-0003-0817-4884 50771 6 Marcius Almeida . S. . 0000-0003-4921-8185 50771 7 Fabio Almeida . C.L. . 0000-0001-6046-7006 50771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 594 50771 '15N chemical shifts' 150 50771 '1H chemical shifts' 881 50771 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 3 . . 2021-11-19 2021-02-17 update BMRB 'update entry citation' 50771 2 . . 2021-05-18 2021-02-17 update BMRB 'update entry citation' 50771 1 . . 2021-03-21 2021-02-17 original author 'original release' 50771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50772 'N-terminal domain of MERS N Protein' 50771 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50771 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33914244 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 1H, 15N, and 13C resonance assignments of the N-terminal domain of the nucleocapsid protein from the Middle East Respiratory Syndrome Coronavirus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _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 341 _Citation.Page_last 345 _Citation.Year 2021 _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 Talita Araujo . S. . . 50771 1 2 Glauce Barbosa . M. . . 50771 1 3 Karoline Sanches . . . . 50771 1 4 Jessica Azevedo . M. . . 50771 1 5 Katia Cabral . M.S. . . 50771 1 6 Marcius Almeida . S. . . 50771 1 7 Fabio Almeida . C.L. . . 50771 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Coranavirus 50771 1 MERS 50771 1 'N protein' 50771 1 NMR 50771 1 Nucleocapsid 50771 1 Nucleoprotein 50771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50771 _Assembly.ID 1 _Assembly.Name 'N-terminal domain with SR rich region of MERS N Protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'MERS NTD-SR' 1 $entity_1 . . yes native no no . . . 50771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50771 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAAPNNTVSWYTGLTQHGKV PLTFPPGQGVPLNANSTPAQ NAGYWRRQDRKINTGNGIKQ LAPRWYFYYTGTGPEAALPF RAVKDGIVWVHEDGATDAPS TFGTRNPNNDSAIVTQFAPG TKLPKNFHIEGTGGNSQSSS RASSVSRNSSRSSSQGSRSG NSTRGTSPGPS ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 34 GLY . 50771 1 2 35 ALA . 50771 1 3 36 ALA . 50771 1 4 37 PRO . 50771 1 5 38 ASN . 50771 1 6 39 ASN . 50771 1 7 40 THR . 50771 1 8 41 VAL . 50771 1 9 42 SER . 50771 1 10 43 TRP . 50771 1 11 44 TYR . 50771 1 12 45 THR . 50771 1 13 46 GLY . 50771 1 14 47 LEU . 50771 1 15 48 THR . 50771 1 16 49 GLN . 50771 1 17 50 HIS . 50771 1 18 51 GLY . 50771 1 19 52 LYS . 50771 1 20 53 VAL . 50771 1 21 54 PRO . 50771 1 22 55 LEU . 50771 1 23 56 THR . 50771 1 24 57 PHE . 50771 1 25 58 PRO . 50771 1 26 59 PRO . 50771 1 27 60 GLY . 50771 1 28 61 GLN . 50771 1 29 62 GLY . 50771 1 30 63 VAL . 50771 1 31 64 PRO . 50771 1 32 65 LEU . 50771 1 33 66 ASN . 50771 1 34 67 ALA . 50771 1 35 68 ASN . 50771 1 36 69 SER . 50771 1 37 70 THR . 50771 1 38 71 PRO . 50771 1 39 72 ALA . 50771 1 40 73 GLN . 50771 1 41 74 ASN . 50771 1 42 75 ALA . 50771 1 43 76 GLY . 50771 1 44 77 TYR . 50771 1 45 78 TRP . 50771 1 46 79 ARG . 50771 1 47 80 ARG . 50771 1 48 81 GLN . 50771 1 49 82 ASP . 50771 1 50 83 ARG . 50771 1 51 84 LYS . 50771 1 52 85 ILE . 50771 1 53 86 ASN . 50771 1 54 87 THR . 50771 1 55 88 GLY . 50771 1 56 89 ASN . 50771 1 57 90 GLY . 50771 1 58 91 ILE . 50771 1 59 92 LYS . 50771 1 60 93 GLN . 50771 1 61 94 LEU . 50771 1 62 95 ALA . 50771 1 63 96 PRO . 50771 1 64 97 ARG . 50771 1 65 98 TRP . 50771 1 66 99 TYR . 50771 1 67 100 PHE . 50771 1 68 101 TYR . 50771 1 69 102 TYR . 50771 1 70 103 THR . 50771 1 71 104 GLY . 50771 1 72 105 THR . 50771 1 73 106 GLY . 50771 1 74 107 PRO . 50771 1 75 108 GLU . 50771 1 76 109 ALA . 50771 1 77 110 ALA . 50771 1 78 111 LEU . 50771 1 79 112 PRO . 50771 1 80 113 PHE . 50771 1 81 114 ARG . 50771 1 82 115 ALA . 50771 1 83 116 VAL . 50771 1 84 117 LYS . 50771 1 85 118 ASP . 50771 1 86 119 GLY . 50771 1 87 120 ILE . 50771 1 88 121 VAL . 50771 1 89 122 TRP . 50771 1 90 123 VAL . 50771 1 91 124 HIS . 50771 1 92 125 GLU . 50771 1 93 126 ASP . 50771 1 94 127 GLY . 50771 1 95 128 ALA . 50771 1 96 129 THR . 50771 1 97 130 ASP . 50771 1 98 131 ALA . 50771 1 99 132 PRO . 50771 1 100 133 SER . 50771 1 101 134 THR . 50771 1 102 135 PHE . 50771 1 103 136 GLY . 50771 1 104 137 THR . 50771 1 105 138 ARG . 50771 1 106 139 ASN . 50771 1 107 140 PRO . 50771 1 108 141 ASN . 50771 1 109 142 ASN . 50771 1 110 143 ASP . 50771 1 111 144 SER . 50771 1 112 145 ALA . 50771 1 113 146 ILE . 50771 1 114 147 VAL . 50771 1 115 148 THR . 50771 1 116 149 GLN . 50771 1 117 150 PHE . 50771 1 118 151 ALA . 50771 1 119 152 PRO . 50771 1 120 153 GLY . 50771 1 121 154 THR . 50771 1 122 155 LYS . 50771 1 123 156 LEU . 50771 1 124 157 PRO . 50771 1 125 158 LYS . 50771 1 126 159 ASN . 50771 1 127 160 PHE . 50771 1 128 161 HIS . 50771 1 129 162 ILE . 50771 1 130 163 GLU . 50771 1 131 164 GLY . 50771 1 132 165 THR . 50771 1 133 166 GLY . 50771 1 134 167 GLY . 50771 1 135 168 ASN . 50771 1 136 169 SER . 50771 1 137 170 GLN . 50771 1 138 171 SER . 50771 1 139 172 SER . 50771 1 140 173 SER . 50771 1 141 174 ARG . 50771 1 142 175 ALA . 50771 1 143 176 SER . 50771 1 144 177 SER . 50771 1 145 178 VAL . 50771 1 146 179 SER . 50771 1 147 180 ARG . 50771 1 148 181 ASN . 50771 1 149 182 SER . 50771 1 150 183 SER . 50771 1 151 184 ARG . 50771 1 152 185 SER . 50771 1 153 186 SER . 50771 1 154 187 SER . 50771 1 155 188 GLN . 50771 1 156 189 GLY . 50771 1 157 190 SER . 50771 1 158 191 ARG . 50771 1 159 192 SER . 50771 1 160 193 GLY . 50771 1 161 194 ASN . 50771 1 162 195 SER . 50771 1 163 196 THR . 50771 1 164 197 ARG . 50771 1 165 198 GLY . 50771 1 166 199 THR . 50771 1 167 200 SER . 50771 1 168 201 PRO . 50771 1 169 202 GLY . 50771 1 170 203 PRO . 50771 1 171 204 SER . 50771 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50771 1 . ALA 2 2 50771 1 . ALA 3 3 50771 1 . PRO 4 4 50771 1 . ASN 5 5 50771 1 . ASN 6 6 50771 1 . THR 7 7 50771 1 . VAL 8 8 50771 1 . SER 9 9 50771 1 . TRP 10 10 50771 1 . TYR 11 11 50771 1 . THR 12 12 50771 1 . GLY 13 13 50771 1 . LEU 14 14 50771 1 . THR 15 15 50771 1 . GLN 16 16 50771 1 . HIS 17 17 50771 1 . GLY 18 18 50771 1 . LYS 19 19 50771 1 . VAL 20 20 50771 1 . PRO 21 21 50771 1 . LEU 22 22 50771 1 . THR 23 23 50771 1 . PHE 24 24 50771 1 . PRO 25 25 50771 1 . PRO 26 26 50771 1 . GLY 27 27 50771 1 . GLN 28 28 50771 1 . GLY 29 29 50771 1 . VAL 30 30 50771 1 . PRO 31 31 50771 1 . LEU 32 32 50771 1 . ASN 33 33 50771 1 . ALA 34 34 50771 1 . ASN 35 35 50771 1 . SER 36 36 50771 1 . THR 37 37 50771 1 . PRO 38 38 50771 1 . ALA 39 39 50771 1 . GLN 40 40 50771 1 . ASN 41 41 50771 1 . ALA 42 42 50771 1 . GLY 43 43 50771 1 . TYR 44 44 50771 1 . TRP 45 45 50771 1 . ARG 46 46 50771 1 . ARG 47 47 50771 1 . GLN 48 48 50771 1 . ASP 49 49 50771 1 . ARG 50 50 50771 1 . LYS 51 51 50771 1 . ILE 52 52 50771 1 . ASN 53 53 50771 1 . THR 54 54 50771 1 . GLY 55 55 50771 1 . ASN 56 56 50771 1 . GLY 57 57 50771 1 . ILE 58 58 50771 1 . LYS 59 59 50771 1 . GLN 60 60 50771 1 . LEU 61 61 50771 1 . ALA 62 62 50771 1 . PRO 63 63 50771 1 . ARG 64 64 50771 1 . TRP 65 65 50771 1 . TYR 66 66 50771 1 . PHE 67 67 50771 1 . TYR 68 68 50771 1 . TYR 69 69 50771 1 . THR 70 70 50771 1 . GLY 71 71 50771 1 . THR 72 72 50771 1 . GLY 73 73 50771 1 . PRO 74 74 50771 1 . GLU 75 75 50771 1 . ALA 76 76 50771 1 . ALA 77 77 50771 1 . LEU 78 78 50771 1 . PRO 79 79 50771 1 . PHE 80 80 50771 1 . ARG 81 81 50771 1 . ALA 82 82 50771 1 . VAL 83 83 50771 1 . LYS 84 84 50771 1 . ASP 85 85 50771 1 . GLY 86 86 50771 1 . ILE 87 87 50771 1 . VAL 88 88 50771 1 . TRP 89 89 50771 1 . VAL 90 90 50771 1 . HIS 91 91 50771 1 . GLU 92 92 50771 1 . ASP 93 93 50771 1 . GLY 94 94 50771 1 . ALA 95 95 50771 1 . THR 96 96 50771 1 . ASP 97 97 50771 1 . ALA 98 98 50771 1 . PRO 99 99 50771 1 . SER 100 100 50771 1 . THR 101 101 50771 1 . PHE 102 102 50771 1 . GLY 103 103 50771 1 . THR 104 104 50771 1 . ARG 105 105 50771 1 . ASN 106 106 50771 1 . PRO 107 107 50771 1 . ASN 108 108 50771 1 . ASN 109 109 50771 1 . ASP 110 110 50771 1 . SER 111 111 50771 1 . ALA 112 112 50771 1 . ILE 113 113 50771 1 . VAL 114 114 50771 1 . THR 115 115 50771 1 . GLN 116 116 50771 1 . PHE 117 117 50771 1 . ALA 118 118 50771 1 . PRO 119 119 50771 1 . GLY 120 120 50771 1 . THR 121 121 50771 1 . LYS 122 122 50771 1 . LEU 123 123 50771 1 . PRO 124 124 50771 1 . LYS 125 125 50771 1 . ASN 126 126 50771 1 . PHE 127 127 50771 1 . HIS 128 128 50771 1 . ILE 129 129 50771 1 . GLU 130 130 50771 1 . GLY 131 131 50771 1 . THR 132 132 50771 1 . GLY 133 133 50771 1 . GLY 134 134 50771 1 . ASN 135 135 50771 1 . SER 136 136 50771 1 . GLN 137 137 50771 1 . SER 138 138 50771 1 . SER 139 139 50771 1 . SER 140 140 50771 1 . ARG 141 141 50771 1 . ALA 142 142 50771 1 . SER 143 143 50771 1 . SER 144 144 50771 1 . VAL 145 145 50771 1 . SER 146 146 50771 1 . ARG 147 147 50771 1 . ASN 148 148 50771 1 . SER 149 149 50771 1 . SER 150 150 50771 1 . ARG 151 151 50771 1 . SER 152 152 50771 1 . SER 153 153 50771 1 . SER 154 154 50771 1 . GLN 155 155 50771 1 . GLY 156 156 50771 1 . SER 157 157 50771 1 . ARG 158 158 50771 1 . SER 159 159 50771 1 . GLY 160 160 50771 1 . ASN 161 161 50771 1 . SER 162 162 50771 1 . THR 163 163 50771 1 . ARG 164 164 50771 1 . GLY 165 165 50771 1 . THR 166 166 50771 1 . SER 167 167 50771 1 . PRO 168 168 50771 1 . GLY 169 169 50771 1 . PRO 170 170 50771 1 . SER 171 171 50771 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50771 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1335626 organism . 'Middle East Respiratory Syndrome Coronavirus' MERS-CoV . . Viruses . Betacoronavirus MERS-CoV . . . . . . . . . . . . . 50771 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50771 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28b(+) . . . 50771 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50771 _Sample.ID 1 _Sample.Name 'N-terminal domain with SR rich region of MERS N Protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal domain with SR rich region of MERS N Protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 50771 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50771 1 3 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 50771 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 50771 1 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 50771 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50771 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 50771 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature condition' _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' 0.05 . M 50771 1 pH 5.5 . pH 50771 1 pressure 1 . atm 50771 1 temperature 298 . K 50771 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50771 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50771 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50771 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50771 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50771 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50771 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50771 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50771 4 'peak picking' . 50771 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50771 _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' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 7 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 8 '2D 1H-13C HSQC aromatic' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50771 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' Nhsqc.ft2 . 'NMR experiment directory' . . 50771 1 7 '2D 1H-13C HSQC aliphatic' Chsqc.ft2 . 'NMR experiment directory' . . 50771 1 8 '2D 1H-13C HSQC aromatic' Arohsqc.ft2 . 'NMR experiment directory' . . 50771 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50771 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MERS NTD-SR' _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 . . . . . 50771 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50771 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50771 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MERS NTD-SR' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50771 1 2 '3D HNCO' . . . 50771 1 3 '3D HNCA' . . . 50771 1 4 '3D CBCA(CO)NH' . . . 50771 1 5 '3D HNCACB' . . . 50771 1 6 '3D HBHA(CO)NH' . . . 50771 1 7 '2D 1H-13C HSQC aliphatic' . . . 50771 1 8 '2D 1H-13C HSQC aromatic' . . . 50771 1 9 '3D HCCH-TOCSY' . . . 50771 1 10 '3D (H)CCH-TOCSY' . . . 50771 1 11 '3D 1H-15N NOESY' . . . 50771 1 12 '3D 1H-13C NOESY aliphatic' . . . 50771 1 13 '3D 1H-13C NOESY aromatic' . . . 50771 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50771 1 2 $software_2 . . 50771 1 3 $software_3 . . 50771 1 4 $software_4 . . 50771 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 176.915 0.000 . 1 . . . . . 34 GLY C . 50771 1 2 . 1 . 1 1 1 GLY CA C 13 45.919 0.000 . 1 . . . . . 34 GLY CA . 50771 1 3 . 1 . 1 2 2 ALA H H 1 8.442 0.000 . 1 . . . . . 35 ALA H . 50771 1 4 . 1 . 1 2 2 ALA HA H 1 4.351 0.020 . 1 . . . . . 35 ALA HA . 50771 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.359 0.017 . 1 . . . . . 35 ALA HB1 . 50771 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.359 0.017 . 1 . . . . . 35 ALA HB2 . 50771 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.359 0.017 . 1 . . . . . 35 ALA HB3 . 50771 1 8 . 1 . 1 2 2 ALA C C 13 177.149 0.000 . 1 . . . . . 35 ALA C . 50771 1 9 . 1 . 1 2 2 ALA CA C 13 52.116 0.058 . 1 . . . . . 35 ALA CA . 50771 1 10 . 1 . 1 2 2 ALA CB C 13 19.583 0.038 . 1 . . . . . 35 ALA CB . 50771 1 11 . 1 . 1 2 2 ALA N N 15 125.275 0.004 . 1 . . . . . 35 ALA N . 50771 1 12 . 1 . 1 3 3 ALA H H 1 8.441 0.001 . 1 . . . . . 36 ALA H . 50771 1 13 . 1 . 1 3 3 ALA HA H 1 4.561 0.000 . 1 . . . . . 36 ALA HA . 50771 1 14 . 1 . 1 3 3 ALA HB1 H 1 1.359 0.012 . 1 . . . . . 36 ALA HB1 . 50771 1 15 . 1 . 1 3 3 ALA HB2 H 1 1.359 0.012 . 1 . . . . . 36 ALA HB2 . 50771 1 16 . 1 . 1 3 3 ALA HB3 H 1 1.359 0.012 . 1 . . . . . 36 ALA HB3 . 50771 1 17 . 1 . 1 3 3 ALA CA C 13 50.477 0.037 . 1 . . . . . 36 ALA CA . 50771 1 18 . 1 . 1 3 3 ALA CB C 13 18.119 0.003 . 1 . . . . . 36 ALA CB . 50771 1 19 . 1 . 1 3 3 ALA N N 15 125.282 0.021 . 1 . . . . . 36 ALA N . 50771 1 20 . 1 . 1 4 4 PRO HA H 1 4.361 0.000 . 1 . . . . . 37 PRO HA . 50771 1 21 . 1 . 1 4 4 PRO HB2 H 1 1.885 0.000 . 2 . . . . . 37 PRO HB2 . 50771 1 22 . 1 . 1 4 4 PRO HB3 H 1 2.258 0.000 . 2 . . . . . 37 PRO HB3 . 50771 1 23 . 1 . 1 4 4 PRO HG2 H 1 1.882 0.000 . 2 . . . . . 37 PRO HG2 . 50771 1 24 . 1 . 1 4 4 PRO HG3 H 1 2.003 0.000 . 2 . . . . . 37 PRO HG3 . 50771 1 25 . 1 . 1 4 4 PRO HD2 H 1 3.668 0.000 . 2 . . . . . 37 PRO HD2 . 50771 1 26 . 1 . 1 4 4 PRO HD3 H 1 3.804 0.000 . 2 . . . . . 37 PRO HD3 . 50771 1 27 . 1 . 1 4 4 PRO C C 13 176.632 0.000 . 1 . . . . . 37 PRO C . 50771 1 28 . 1 . 1 4 4 PRO CA C 13 63.235 0.008 . 1 . . . . . 37 PRO CA . 50771 1 29 . 1 . 1 4 4 PRO CB C 13 32.029 0.067 . 1 . . . . . 37 PRO CB . 50771 1 30 . 1 . 1 4 4 PRO CG C 13 27.497 0.013 . 1 . . . . . 37 PRO CG . 50771 1 31 . 1 . 1 4 4 PRO CD C 13 50.614 0.007 . 1 . . . . . 37 PRO CD . 50771 1 32 . 1 . 1 5 5 ASN H H 1 8.470 0.003 . 1 . . . . . 38 ASN H . 50771 1 33 . 1 . 1 5 5 ASN HA H 1 4.657 0.000 . 1 . . . . . 38 ASN HA . 50771 1 34 . 1 . 1 5 5 ASN HB2 H 1 2.785 0.000 . 1 . . . . . 38 ASN HB2 . 50771 1 35 . 1 . 1 5 5 ASN HB3 H 1 2.785 0.000 . 1 . . . . . 38 ASN HB3 . 50771 1 36 . 1 . 1 5 5 ASN C C 13 175.422 0.000 . 1 . . . . . 38 ASN C . 50771 1 37 . 1 . 1 5 5 ASN CA C 13 53.110 0.054 . 1 . . . . . 38 ASN CA . 50771 1 38 . 1 . 1 5 5 ASN CB C 13 38.630 0.056 . 1 . . . . . 38 ASN CB . 50771 1 39 . 1 . 1 5 5 ASN N N 15 118.180 0.037 . 1 . . . . . 38 ASN N . 50771 1 40 . 1 . 1 6 6 ASN H H 1 8.367 0.002 . 1 . . . . . 39 ASN H . 50771 1 41 . 1 . 1 6 6 ASN HA H 1 4.756 0.000 . 1 . . . . . 39 ASN HA . 50771 1 42 . 1 . 1 6 6 ASN HB2 H 1 2.760 0.000 . 2 . . . . . 39 ASN HB2 . 50771 1 43 . 1 . 1 6 6 ASN HB3 H 1 2.843 0.000 . 2 . . . . . 39 ASN HB3 . 50771 1 44 . 1 . 1 6 6 ASN HD21 H 1 6.872 0.000 . 1 . . . . . 39 ASN HD21 . 50771 1 45 . 1 . 1 6 6 ASN HD22 H 1 7.634 0.000 . 1 . . . . . 39 ASN HD22 . 50771 1 46 . 1 . 1 6 6 ASN C C 13 175.006 0.000 . 1 . . . . . 39 ASN C . 50771 1 47 . 1 . 1 6 6 ASN CA C 13 53.193 0.053 . 1 . . . . . 39 ASN CA . 50771 1 48 . 1 . 1 6 6 ASN CB C 13 38.605 0.166 . 1 . . . . . 39 ASN CB . 50771 1 49 . 1 . 1 6 6 ASN N N 15 120.097 0.113 . 1 . . . . . 39 ASN N . 50771 1 50 . 1 . 1 6 6 ASN ND2 N 15 112.964 0.002 . 1 . . . . . 39 ASN ND2 . 50771 1 51 . 1 . 1 7 7 THR H H 1 7.820 0.003 . 1 . . . . . 40 THR H . 50771 1 52 . 1 . 1 7 7 THR HA H 1 4.470 0.000 . 1 . . . . . 40 THR HA . 50771 1 53 . 1 . 1 7 7 THR HB H 1 4.316 0.000 . 1 . . . . . 40 THR HB . 50771 1 54 . 1 . 1 7 7 THR HG21 H 1 1.111 0.000 . 1 . . . . . 40 THR HG21 . 50771 1 55 . 1 . 1 7 7 THR HG22 H 1 1.111 0.000 . 1 . . . . . 40 THR HG22 . 50771 1 56 . 1 . 1 7 7 THR HG23 H 1 1.111 0.000 . 1 . . . . . 40 THR HG23 . 50771 1 57 . 1 . 1 7 7 THR C C 13 175.126 0.000 . 1 . . . . . 40 THR C . 50771 1 58 . 1 . 1 7 7 THR CA C 13 61.491 0.037 . 1 . . . . . 40 THR CA . 50771 1 59 . 1 . 1 7 7 THR CB C 13 70.238 0.181 . 1 . . . . . 40 THR CB . 50771 1 60 . 1 . 1 7 7 THR CG2 C 13 21.669 0.000 . 1 . . . . . 40 THR CG2 . 50771 1 61 . 1 . 1 7 7 THR N N 15 107.551 0.026 . 1 . . . . . 40 THR N . 50771 1 62 . 1 . 1 8 8 VAL H H 1 8.474 0.003 . 1 . . . . . 41 VAL H . 50771 1 63 . 1 . 1 8 8 VAL HA H 1 4.164 0.000 . 1 . . . . . 41 VAL HA . 50771 1 64 . 1 . 1 8 8 VAL HB H 1 2.383 0.000 . 1 . . . . . 41 VAL HB . 50771 1 65 . 1 . 1 8 8 VAL HG11 H 1 0.718 0.000 . 2 . . . . . 41 VAL HG11 . 50771 1 66 . 1 . 1 8 8 VAL HG12 H 1 0.718 0.000 . 2 . . . . . 41 VAL HG12 . 50771 1 67 . 1 . 1 8 8 VAL HG13 H 1 0.718 0.000 . 2 . . . . . 41 VAL HG13 . 50771 1 68 . 1 . 1 8 8 VAL HG21 H 1 0.734 0.000 . 2 . . . . . 41 VAL HG21 . 50771 1 69 . 1 . 1 8 8 VAL HG22 H 1 0.734 0.000 . 2 . . . . . 41 VAL HG22 . 50771 1 70 . 1 . 1 8 8 VAL HG23 H 1 0.734 0.000 . 2 . . . . . 41 VAL HG23 . 50771 1 71 . 1 . 1 8 8 VAL C C 13 174.727 0.000 . 1 . . . . . 41 VAL C . 50771 1 72 . 1 . 1 8 8 VAL CA C 13 62.369 0.025 . 1 . . . . . 41 VAL CA . 50771 1 73 . 1 . 1 8 8 VAL CB C 13 31.732 0.326 . 1 . . . . . 41 VAL CB . 50771 1 74 . 1 . 1 8 8 VAL CG1 C 13 21.987 0.000 . 2 . . . . . 41 VAL CG1 . 50771 1 75 . 1 . 1 8 8 VAL CG2 C 13 20.493 0.000 . 2 . . . . . 41 VAL CG2 . 50771 1 76 . 1 . 1 8 8 VAL N N 15 124.166 0.045 . 1 . . . . . 41 VAL N . 50771 1 77 . 1 . 1 9 9 SER H H 1 8.171 0.002 . 1 . . . . . 42 SER H . 50771 1 78 . 1 . 1 9 9 SER HA H 1 4.161 0.000 . 1 . . . . . 42 SER HA . 50771 1 79 . 1 . 1 9 9 SER HB2 H 1 3.334 0.000 . 2 . . . . . 42 SER HB2 . 50771 1 80 . 1 . 1 9 9 SER HB3 H 1 3.749 0.000 . 2 . . . . . 42 SER HB3 . 50771 1 81 . 1 . 1 9 9 SER C C 13 176.491 0.000 . 1 . . . . . 42 SER C . 50771 1 82 . 1 . 1 9 9 SER CA C 13 57.630 0.039 . 1 . . . . . 42 SER CA . 50771 1 83 . 1 . 1 9 9 SER CB C 13 63.126 0.053 . 1 . . . . . 42 SER CB . 50771 1 84 . 1 . 1 9 9 SER N N 15 119.048 0.058 . 1 . . . . . 42 SER N . 50771 1 85 . 1 . 1 10 10 TRP H H 1 9.738 0.004 . 1 . . . . . 43 TRP H . 50771 1 86 . 1 . 1 10 10 TRP HA H 1 3.966 0.000 . 1 . . . . . 43 TRP HA . 50771 1 87 . 1 . 1 10 10 TRP HB2 H 1 2.467 0.000 . 2 . . . . . 43 TRP HB2 . 50771 1 88 . 1 . 1 10 10 TRP HB3 H 1 2.782 0.000 . 2 . . . . . 43 TRP HB3 . 50771 1 89 . 1 . 1 10 10 TRP HE3 H 1 7.565 0.000 . 1 . . . . . 43 TRP HE3 . 50771 1 90 . 1 . 1 10 10 TRP HZ2 H 1 7.522 0.000 . 1 . . . . . 43 TRP HZ2 . 50771 1 91 . 1 . 1 10 10 TRP HZ3 H 1 7.037 0.000 . 1 . . . . . 43 TRP HZ3 . 50771 1 92 . 1 . 1 10 10 TRP HH2 H 1 7.257 0.000 . 1 . . . . . 43 TRP HH2 . 50771 1 93 . 1 . 1 10 10 TRP C C 13 174.102 0.000 . 1 . . . . . 43 TRP C . 50771 1 94 . 1 . 1 10 10 TRP CA C 13 61.164 0.003 . 1 . . . . . 43 TRP CA . 50771 1 95 . 1 . 1 10 10 TRP CB C 13 30.608 0.093 . 1 . . . . . 43 TRP CB . 50771 1 96 . 1 . 1 10 10 TRP CE3 C 13 119.734 0.000 . 1 . . . . . 43 TRP CE3 . 50771 1 97 . 1 . 1 10 10 TRP CZ2 C 13 115.515 0.000 . 1 . . . . . 43 TRP CZ2 . 50771 1 98 . 1 . 1 10 10 TRP CZ3 C 13 122.146 0.000 . 1 . . . . . 43 TRP CZ3 . 50771 1 99 . 1 . 1 10 10 TRP CH2 C 13 125.292 0.000 . 1 . . . . . 43 TRP CH2 . 50771 1 100 . 1 . 1 10 10 TRP N N 15 127.492 0.028 . 1 . . . . . 43 TRP N . 50771 1 101 . 1 . 1 11 11 TYR H H 1 8.029 0.003 . 1 . . . . . 44 TYR H . 50771 1 102 . 1 . 1 11 11 TYR HA H 1 5.864 0.000 . 1 . . . . . 44 TYR HA . 50771 1 103 . 1 . 1 11 11 TYR HB2 H 1 2.541 0.000 . 2 . . . . . 44 TYR HB2 . 50771 1 104 . 1 . 1 11 11 TYR HB3 H 1 4.153 0.000 . 2 . . . . . 44 TYR HB3 . 50771 1 105 . 1 . 1 11 11 TYR C C 13 178.396 0.000 . 1 . . . . . 44 TYR C . 50771 1 106 . 1 . 1 11 11 TYR CA C 13 56.825 0.045 . 1 . . . . . 44 TYR CA . 50771 1 107 . 1 . 1 11 11 TYR CB C 13 41.823 0.058 . 1 . . . . . 44 TYR CB . 50771 1 108 . 1 . 1 11 11 TYR N N 15 114.346 0.030 . 1 . . . . . 44 TYR N . 50771 1 109 . 1 . 1 12 12 THR H H 1 8.334 0.003 . 1 . . . . . 45 THR H . 50771 1 110 . 1 . 1 12 12 THR HA H 1 4.543 0.000 . 1 . . . . . 45 THR HA . 50771 1 111 . 1 . 1 12 12 THR HB H 1 4.530 0.000 . 1 . . . . . 45 THR HB . 50771 1 112 . 1 . 1 12 12 THR HG21 H 1 1.169 0.000 . 1 . . . . . 45 THR HG21 . 50771 1 113 . 1 . 1 12 12 THR HG22 H 1 1.169 0.000 . 1 . . . . . 45 THR HG22 . 50771 1 114 . 1 . 1 12 12 THR HG23 H 1 1.169 0.000 . 1 . . . . . 45 THR HG23 . 50771 1 115 . 1 . 1 12 12 THR C C 13 177.010 0.000 . 1 . . . . . 45 THR C . 50771 1 116 . 1 . 1 12 12 THR CA C 13 61.862 0.091 . 1 . . . . . 45 THR CA . 50771 1 117 . 1 . 1 12 12 THR CB C 13 70.626 0.124 . 1 . . . . . 45 THR CB . 50771 1 118 . 1 . 1 12 12 THR CG2 C 13 21.219 0.000 . 1 . . . . . 45 THR CG2 . 50771 1 119 . 1 . 1 12 12 THR N N 15 113.003 0.028 . 1 . . . . . 45 THR N . 50771 1 120 . 1 . 1 13 13 GLY H H 1 9.099 0.003 . 1 . . . . . 46 GLY H . 50771 1 121 . 1 . 1 13 13 GLY HA2 H 1 2.829 0.000 . 2 . . . . . 46 GLY HA2 . 50771 1 122 . 1 . 1 13 13 GLY HA3 H 1 4.585 0.000 . 2 . . . . . 46 GLY HA3 . 50771 1 123 . 1 . 1 13 13 GLY C C 13 171.287 0.000 . 1 . . . . . 46 GLY C . 50771 1 124 . 1 . 1 13 13 GLY CA C 13 45.194 0.096 . 1 . . . . . 46 GLY CA . 50771 1 125 . 1 . 1 13 13 GLY N N 15 109.040 0.063 . 1 . . . . . 46 GLY N . 50771 1 126 . 1 . 1 14 14 LEU H H 1 9.043 0.001 . 1 . . . . . 47 LEU H . 50771 1 127 . 1 . 1 14 14 LEU HA H 1 5.231 0.000 . 1 . . . . . 47 LEU HA . 50771 1 128 . 1 . 1 14 14 LEU HB2 H 1 1.345 0.000 . 2 . . . . . 47 LEU HB2 . 50771 1 129 . 1 . 1 14 14 LEU HB3 H 1 1.705 0.000 . 2 . . . . . 47 LEU HB3 . 50771 1 130 . 1 . 1 14 14 LEU HD11 H 1 0.015 0.000 . 2 . . . . . 47 LEU HD11 . 50771 1 131 . 1 . 1 14 14 LEU HD12 H 1 0.015 0.000 . 2 . . . . . 47 LEU HD12 . 50771 1 132 . 1 . 1 14 14 LEU HD13 H 1 0.015 0.000 . 2 . . . . . 47 LEU HD13 . 50771 1 133 . 1 . 1 14 14 LEU HD21 H 1 0.630 0.000 . 2 . . . . . 47 LEU HD21 . 50771 1 134 . 1 . 1 14 14 LEU HD22 H 1 0.630 0.000 . 2 . . . . . 47 LEU HD22 . 50771 1 135 . 1 . 1 14 14 LEU HD23 H 1 0.630 0.000 . 2 . . . . . 47 LEU HD23 . 50771 1 136 . 1 . 1 14 14 LEU C C 13 177.427 0.000 . 1 . . . . . 47 LEU C . 50771 1 137 . 1 . 1 14 14 LEU CA C 13 52.729 0.035 . 1 . . . . . 47 LEU CA . 50771 1 138 . 1 . 1 14 14 LEU CB C 13 44.521 0.044 . 1 . . . . . 47 LEU CB . 50771 1 139 . 1 . 1 14 14 LEU CD1 C 13 24.959 0.000 . 2 . . . . . 47 LEU CD1 . 50771 1 140 . 1 . 1 14 14 LEU CD2 C 13 24.919 0.000 . 2 . . . . . 47 LEU CD2 . 50771 1 141 . 1 . 1 14 14 LEU N N 15 116.749 0.035 . 1 . . . . . 47 LEU N . 50771 1 142 . 1 . 1 15 15 THR H H 1 9.605 0.003 . 1 . . . . . 48 THR H . 50771 1 143 . 1 . 1 15 15 THR HA H 1 4.637 0.000 . 1 . . . . . 48 THR HA . 50771 1 144 . 1 . 1 15 15 THR HB H 1 3.895 0.000 . 1 . . . . . 48 THR HB . 50771 1 145 . 1 . 1 15 15 THR C C 13 172.706 0.000 . 1 . . . . . 48 THR C . 50771 1 146 . 1 . 1 15 15 THR CA C 13 63.146 0.168 . 1 . . . . . 48 THR CA . 50771 1 147 . 1 . 1 15 15 THR CB C 13 68.911 0.096 . 1 . . . . . 48 THR CB . 50771 1 148 . 1 . 1 15 15 THR N N 15 122.486 0.040 . 1 . . . . . 48 THR N . 50771 1 149 . 1 . 1 16 16 GLN H H 1 8.562 0.003 . 1 . . . . . 49 GLN H . 50771 1 150 . 1 . 1 16 16 GLN HA H 1 3.032 0.000 . 1 . . . . . 49 GLN HA . 50771 1 151 . 1 . 1 16 16 GLN HB2 H 1 2.088 0.000 . 2 . . . . . 49 GLN HB2 . 50771 1 152 . 1 . 1 16 16 GLN HB3 H 1 1.682 0.000 . 2 . . . . . 49 GLN HB3 . 50771 1 153 . 1 . 1 16 16 GLN HG2 H 1 1.812 0.000 . 1 . . . . . 49 GLN HG2 . 50771 1 154 . 1 . 1 16 16 GLN HG3 H 1 1.812 0.000 . 1 . . . . . 49 GLN HG3 . 50771 1 155 . 1 . 1 16 16 GLN HE21 H 1 7.136 0.000 . 1 . . . . . 49 GLN HE21 . 50771 1 156 . 1 . 1 16 16 GLN HE22 H 1 6.518 0.000 . 1 . . . . . 49 GLN HE22 . 50771 1 157 . 1 . 1 16 16 GLN C C 13 173.465 0.000 . 1 . . . . . 49 GLN C . 50771 1 158 . 1 . 1 16 16 GLN CA C 13 54.104 0.008 . 1 . . . . . 49 GLN CA . 50771 1 159 . 1 . 1 16 16 GLN CB C 13 30.620 0.038 . 1 . . . . . 49 GLN CB . 50771 1 160 . 1 . 1 16 16 GLN CG C 13 32.599 0.000 . 1 . . . . . 49 GLN CG . 50771 1 161 . 1 . 1 16 16 GLN N N 15 128.645 0.034 . 1 . . . . . 49 GLN N . 50771 1 162 . 1 . 1 16 16 GLN NE2 N 15 110.048 0.004 . 1 . . . . . 49 GLN NE2 . 50771 1 163 . 1 . 1 17 17 HIS H H 1 8.100 0.003 . 1 . . . . . 50 HIS H . 50771 1 164 . 1 . 1 17 17 HIS HD2 H 1 6.867 0.000 . 1 . . . . . 50 HIS HD2 . 50771 1 165 . 1 . 1 17 17 HIS CA C 13 56.572 0.000 . 1 . . . . . 50 HIS CA . 50771 1 166 . 1 . 1 17 17 HIS CB C 13 30.412 0.000 . 1 . . . . . 50 HIS CB . 50771 1 167 . 1 . 1 17 17 HIS CD2 C 13 118.503 0.000 . 1 . . . . . 50 HIS CD2 . 50771 1 168 . 1 . 1 17 17 HIS N N 15 124.560 0.071 . 1 . . . . . 50 HIS N . 50771 1 169 . 1 . 1 19 19 LYS HA H 1 4.246 0.000 . 1 . . . . . 52 LYS HA . 50771 1 170 . 1 . 1 19 19 LYS HB2 H 1 1.923 0.000 . 2 . . . . . 52 LYS HB2 . 50771 1 171 . 1 . 1 19 19 LYS HB3 H 1 1.717 0.000 . 2 . . . . . 52 LYS HB3 . 50771 1 172 . 1 . 1 19 19 LYS HG2 H 1 1.415 0.000 . 1 . . . . . 52 LYS HG2 . 50771 1 173 . 1 . 1 19 19 LYS HG3 H 1 1.415 0.000 . 1 . . . . . 52 LYS HG3 . 50771 1 174 . 1 . 1 19 19 LYS HD2 H 1 1.650 0.000 . 1 . . . . . 52 LYS HD2 . 50771 1 175 . 1 . 1 19 19 LYS HD3 H 1 1.650 0.000 . 1 . . . . . 52 LYS HD3 . 50771 1 176 . 1 . 1 19 19 LYS HE2 H 1 2.972 0.000 . 1 . . . . . 52 LYS HE2 . 50771 1 177 . 1 . 1 19 19 LYS HE3 H 1 2.972 0.000 . 1 . . . . . 52 LYS HE3 . 50771 1 178 . 1 . 1 19 19 LYS C C 13 176.941 0.000 . 1 . . . . . 52 LYS C . 50771 1 179 . 1 . 1 19 19 LYS CA C 13 56.482 0.046 . 1 . . . . . 52 LYS CA . 50771 1 180 . 1 . 1 19 19 LYS CB C 13 33.538 0.051 . 1 . . . . . 52 LYS CB . 50771 1 181 . 1 . 1 19 19 LYS CG C 13 24.820 0.000 . 1 . . . . . 52 LYS CG . 50771 1 182 . 1 . 1 19 19 LYS CD C 13 29.169 0.000 . 1 . . . . . 52 LYS CD . 50771 1 183 . 1 . 1 19 19 LYS CE C 13 42.089 0.000 . 1 . . . . . 52 LYS CE . 50771 1 184 . 1 . 1 20 20 VAL H H 1 7.549 0.002 . 1 . . . . . 53 VAL H . 50771 1 185 . 1 . 1 20 20 VAL HA H 1 4.276 0.000 . 1 . . . . . 53 VAL HA . 50771 1 186 . 1 . 1 20 20 VAL HB H 1 2.078 0.000 . 1 . . . . . 53 VAL HB . 50771 1 187 . 1 . 1 20 20 VAL HG11 H 1 1.064 0.000 . 2 . . . . . 53 VAL HG11 . 50771 1 188 . 1 . 1 20 20 VAL HG12 H 1 1.064 0.000 . 2 . . . . . 53 VAL HG12 . 50771 1 189 . 1 . 1 20 20 VAL HG13 H 1 1.064 0.000 . 2 . . . . . 53 VAL HG13 . 50771 1 190 . 1 . 1 20 20 VAL HG21 H 1 0.976 0.000 . 2 . . . . . 53 VAL HG21 . 50771 1 191 . 1 . 1 20 20 VAL HG22 H 1 0.976 0.000 . 2 . . . . . 53 VAL HG22 . 50771 1 192 . 1 . 1 20 20 VAL HG23 H 1 0.976 0.000 . 2 . . . . . 53 VAL HG23 . 50771 1 193 . 1 . 1 20 20 VAL CA C 13 60.559 0.050 . 1 . . . . . 53 VAL CA . 50771 1 194 . 1 . 1 20 20 VAL CB C 13 32.400 0.118 . 1 . . . . . 53 VAL CB . 50771 1 195 . 1 . 1 20 20 VAL CG1 C 13 21.342 0.000 . 2 . . . . . 53 VAL CG1 . 50771 1 196 . 1 . 1 20 20 VAL CG2 C 13 21.339 0.000 . 2 . . . . . 53 VAL CG2 . 50771 1 197 . 1 . 1 20 20 VAL N N 15 123.126 0.019 . 1 . . . . . 53 VAL N . 50771 1 198 . 1 . 1 21 21 PRO C C 13 174.731 0.000 . 1 . . . . . 54 PRO C . 50771 1 199 . 1 . 1 21 21 PRO CA C 13 61.581 0.000 . 1 . . . . . 54 PRO CA . 50771 1 200 . 1 . 1 21 21 PRO CB C 13 32.676 0.000 . 1 . . . . . 54 PRO CB . 50771 1 201 . 1 . 1 22 22 LEU H H 1 5.524 0.004 . 1 . . . . . 55 LEU H . 50771 1 202 . 1 . 1 22 22 LEU HA H 1 2.776 0.000 . 1 . . . . . 55 LEU HA . 50771 1 203 . 1 . 1 22 22 LEU HB2 H 1 -0.811 0.000 . 2 . . . . . 55 LEU HB2 . 50771 1 204 . 1 . 1 22 22 LEU HB3 H 1 -0.284 0.000 . 2 . . . . . 55 LEU HB3 . 50771 1 205 . 1 . 1 22 22 LEU HG H 1 0.005 0.000 . 1 . . . . . 55 LEU HG . 50771 1 206 . 1 . 1 22 22 LEU HD11 H 1 -0.431 0.000 . 2 . . . . . 55 LEU HD11 . 50771 1 207 . 1 . 1 22 22 LEU HD12 H 1 -0.431 0.000 . 2 . . . . . 55 LEU HD12 . 50771 1 208 . 1 . 1 22 22 LEU HD13 H 1 -0.431 0.000 . 2 . . . . . 55 LEU HD13 . 50771 1 209 . 1 . 1 22 22 LEU HD21 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD21 . 50771 1 210 . 1 . 1 22 22 LEU HD22 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD22 . 50771 1 211 . 1 . 1 22 22 LEU HD23 H 1 -1.176 0.000 . 2 . . . . . 55 LEU HD23 . 50771 1 212 . 1 . 1 22 22 LEU C C 13 173.659 0.000 . 1 . . . . . 55 LEU C . 50771 1 213 . 1 . 1 22 22 LEU CA C 13 54.842 0.055 . 1 . . . . . 55 LEU CA . 50771 1 214 . 1 . 1 22 22 LEU CB C 13 39.826 0.106 . 1 . . . . . 55 LEU CB . 50771 1 215 . 1 . 1 22 22 LEU CG C 13 25.027 0.000 . 1 . . . . . 55 LEU CG . 50771 1 216 . 1 . 1 22 22 LEU CD1 C 13 25.043 0.000 . 2 . . . . . 55 LEU CD1 . 50771 1 217 . 1 . 1 22 22 LEU CD2 C 13 20.232 0.000 . 2 . . . . . 55 LEU CD2 . 50771 1 218 . 1 . 1 22 22 LEU N N 15 118.657 0.029 . 1 . . . . . 55 LEU N . 50771 1 219 . 1 . 1 23 23 THR H H 1 5.848 0.002 . 1 . . . . . 56 THR H . 50771 1 220 . 1 . 1 23 23 THR HA H 1 4.109 0.006 . 1 . . . . . 56 THR HA . 50771 1 221 . 1 . 1 23 23 THR HB H 1 3.886 0.001 . 1 . . . . . 56 THR HB . 50771 1 222 . 1 . 1 23 23 THR HG21 H 1 0.892 0.000 . 1 . . . . . 56 THR HG21 . 50771 1 223 . 1 . 1 23 23 THR HG22 H 1 0.892 0.000 . 1 . . . . . 56 THR HG22 . 50771 1 224 . 1 . 1 23 23 THR HG23 H 1 0.892 0.000 . 1 . . . . . 56 THR HG23 . 50771 1 225 . 1 . 1 23 23 THR C C 13 171.245 0.000 . 1 . . . . . 56 THR C . 50771 1 226 . 1 . 1 23 23 THR CA C 13 59.682 0.051 . 1 . . . . . 56 THR CA . 50771 1 227 . 1 . 1 23 23 THR CB C 13 71.820 0.057 . 1 . . . . . 56 THR CB . 50771 1 228 . 1 . 1 23 23 THR CG2 C 13 21.649 0.000 . 1 . . . . . 56 THR CG2 . 50771 1 229 . 1 . 1 23 23 THR N N 15 113.390 0.026 . 1 . . . . . 56 THR N . 50771 1 230 . 1 . 1 24 24 PHE H H 1 7.859 0.002 . 1 . . . . . 57 PHE H . 50771 1 231 . 1 . 1 24 24 PHE HA H 1 4.789 0.000 . 1 . . . . . 57 PHE HA . 50771 1 232 . 1 . 1 24 24 PHE HB2 H 1 2.734 0.000 . 2 . . . . . 57 PHE HB2 . 50771 1 233 . 1 . 1 24 24 PHE HB3 H 1 2.250 0.000 . 2 . . . . . 57 PHE HB3 . 50771 1 234 . 1 . 1 24 24 PHE HD1 H 1 6.581 0.000 . 1 . . . . . 57 PHE HD1 . 50771 1 235 . 1 . 1 24 24 PHE HD2 H 1 6.581 0.000 . 1 . . . . . 57 PHE HD2 . 50771 1 236 . 1 . 1 24 24 PHE CA C 13 56.329 0.078 . 1 . . . . . 57 PHE CA . 50771 1 237 . 1 . 1 24 24 PHE CB C 13 43.767 0.003 . 1 . . . . . 57 PHE CB . 50771 1 238 . 1 . 1 24 24 PHE CD1 C 13 131.215 0.000 . 1 . . . . . 57 PHE CD1 . 50771 1 239 . 1 . 1 24 24 PHE CD2 C 13 131.215 0.000 . 1 . . . . . 57 PHE CD2 . 50771 1 240 . 1 . 1 24 24 PHE N N 15 116.585 0.023 . 1 . . . . . 57 PHE N . 50771 1 241 . 1 . 1 26 26 PRO HA H 1 4.351 0.000 . 1 . . . . . 59 PRO HA . 50771 1 242 . 1 . 1 26 26 PRO HB2 H 1 2.012 0.000 . 2 . . . . . 59 PRO HB2 . 50771 1 243 . 1 . 1 26 26 PRO HB3 H 1 2.399 0.000 . 2 . . . . . 59 PRO HB3 . 50771 1 244 . 1 . 1 26 26 PRO HG2 H 1 2.121 0.000 . 2 . . . . . 59 PRO HG2 . 50771 1 245 . 1 . 1 26 26 PRO HG3 H 1 2.011 0.000 . 2 . . . . . 59 PRO HG3 . 50771 1 246 . 1 . 1 26 26 PRO C C 13 177.784 0.000 . 1 . . . . . 59 PRO C . 50771 1 247 . 1 . 1 26 26 PRO CA C 13 63.898 0.053 . 1 . . . . . 59 PRO CA . 50771 1 248 . 1 . 1 26 26 PRO CB C 13 31.678 0.141 . 1 . . . . . 59 PRO CB . 50771 1 249 . 1 . 1 26 26 PRO CG C 13 27.848 0.006 . 1 . . . . . 59 PRO CG . 50771 1 250 . 1 . 1 27 27 GLY H H 1 8.488 0.003 . 1 . . . . . 60 GLY H . 50771 1 251 . 1 . 1 27 27 GLY HA2 H 1 3.938 0.050 . 2 . . . . . 60 GLY HA2 . 50771 1 252 . 1 . 1 27 27 GLY HA3 H 1 4.348 0.000 . 2 . . . . . 60 GLY HA3 . 50771 1 253 . 1 . 1 27 27 GLY C C 13 174.521 0.000 . 1 . . . . . 60 GLY C . 50771 1 254 . 1 . 1 27 27 GLY CA C 13 45.540 0.072 . 1 . . . . . 60 GLY CA . 50771 1 255 . 1 . 1 27 27 GLY N N 15 114.034 0.027 . 1 . . . . . 60 GLY N . 50771 1 256 . 1 . 1 28 28 GLN H H 1 7.821 0.002 . 1 . . . . . 61 GLN H . 50771 1 257 . 1 . 1 28 28 GLN HA H 1 4.684 0.000 . 1 . . . . . 61 GLN HA . 50771 1 258 . 1 . 1 28 28 GLN HB2 H 1 1.928 0.000 . 2 . . . . . 61 GLN HB2 . 50771 1 259 . 1 . 1 28 28 GLN HB3 H 1 2.221 0.000 . 2 . . . . . 61 GLN HB3 . 50771 1 260 . 1 . 1 28 28 GLN HG2 H 1 1.930 0.000 . 2 . . . . . 61 GLN HG2 . 50771 1 261 . 1 . 1 28 28 GLN HG3 H 1 2.237 0.000 . 2 . . . . . 61 GLN HG3 . 50771 1 262 . 1 . 1 28 28 GLN HE21 H 1 6.306 0.000 . 1 . . . . . 61 GLN HE21 . 50771 1 263 . 1 . 1 28 28 GLN HE22 H 1 7.237 0.000 . 1 . . . . . 61 GLN HE22 . 50771 1 264 . 1 . 1 28 28 GLN C C 13 175.889 0.000 . 1 . . . . . 61 GLN C . 50771 1 265 . 1 . 1 28 28 GLN CA C 13 54.438 0.027 . 1 . . . . . 61 GLN CA . 50771 1 266 . 1 . 1 28 28 GLN CB C 13 31.614 0.023 . 1 . . . . . 61 GLN CB . 50771 1 267 . 1 . 1 28 28 GLN CG C 13 33.380 0.048 . 1 . . . . . 61 GLN CG . 50771 1 268 . 1 . 1 28 28 GLN N N 15 118.932 0.034 . 1 . . . . . 61 GLN N . 50771 1 269 . 1 . 1 28 28 GLN NE2 N 15 108.322 0.002 . 1 . . . . . 61 GLN NE2 . 50771 1 270 . 1 . 1 29 29 GLY H H 1 8.467 0.005 . 1 . . . . . 62 GLY H . 50771 1 271 . 1 . 1 29 29 GLY HA2 H 1 3.913 0.000 . 1 . . . . . 62 GLY HA2 . 50771 1 272 . 1 . 1 29 29 GLY HA3 H 1 3.973 0.043 . 1 . . . . . 62 GLY HA3 . 50771 1 273 . 1 . 1 29 29 GLY C C 13 173.226 0.000 . 1 . . . . . 62 GLY C . 50771 1 274 . 1 . 1 29 29 GLY CA C 13 43.311 0.052 . 1 . . . . . 62 GLY CA . 50771 1 275 . 1 . 1 29 29 GLY N N 15 103.097 0.100 . 1 . . . . . 62 GLY N . 50771 1 276 . 1 . 1 30 30 VAL H H 1 8.270 0.001 . 1 . . . . . 63 VAL H . 50771 1 277 . 1 . 1 30 30 VAL HA H 1 3.712 0.000 . 1 . . . . . 63 VAL HA . 50771 1 278 . 1 . 1 30 30 VAL HB H 1 1.827 0.000 . 1 . . . . . 63 VAL HB . 50771 1 279 . 1 . 1 30 30 VAL HG11 H 1 0.474 0.000 . 2 . . . . . 63 VAL HG11 . 50771 1 280 . 1 . 1 30 30 VAL HG12 H 1 0.474 0.000 . 2 . . . . . 63 VAL HG12 . 50771 1 281 . 1 . 1 30 30 VAL HG13 H 1 0.474 0.000 . 2 . . . . . 63 VAL HG13 . 50771 1 282 . 1 . 1 30 30 VAL HG21 H 1 0.580 0.000 . 2 . . . . . 63 VAL HG21 . 50771 1 283 . 1 . 1 30 30 VAL HG22 H 1 0.580 0.000 . 2 . . . . . 63 VAL HG22 . 50771 1 284 . 1 . 1 30 30 VAL HG23 H 1 0.580 0.000 . 2 . . . . . 63 VAL HG23 . 50771 1 285 . 1 . 1 30 30 VAL CA C 13 59.393 0.118 . 1 . . . . . 63 VAL CA . 50771 1 286 . 1 . 1 30 30 VAL CB C 13 30.974 0.180 . 1 . . . . . 63 VAL CB . 50771 1 287 . 1 . 1 30 30 VAL CG1 C 13 20.782 0.000 . 2 . . . . . 63 VAL CG1 . 50771 1 288 . 1 . 1 30 30 VAL CG2 C 13 20.776 0.000 . 2 . . . . . 63 VAL CG2 . 50771 1 289 . 1 . 1 30 30 VAL N N 15 123.324 0.011 . 1 . . . . . 63 VAL N . 50771 1 290 . 1 . 1 31 31 PRO HA H 1 3.688 0.000 . 1 . . . . . 64 PRO HA . 50771 1 291 . 1 . 1 31 31 PRO HB2 H 1 1.252 0.000 . 2 . . . . . 64 PRO HB2 . 50771 1 292 . 1 . 1 31 31 PRO HB3 H 1 0.132 0.000 . 2 . . . . . 64 PRO HB3 . 50771 1 293 . 1 . 1 31 31 PRO HG2 H 1 0.840 0.000 . 2 . . . . . 64 PRO HG2 . 50771 1 294 . 1 . 1 31 31 PRO HG3 H 1 0.216 0.000 . 2 . . . . . 64 PRO HG3 . 50771 1 295 . 1 . 1 31 31 PRO HD2 H 1 2.838 0.000 . 2 . . . . . 64 PRO HD2 . 50771 1 296 . 1 . 1 31 31 PRO HD3 H 1 1.057 0.000 . 2 . . . . . 64 PRO HD3 . 50771 1 297 . 1 . 1 31 31 PRO C C 13 175.124 0.000 . 1 . . . . . 64 PRO C . 50771 1 298 . 1 . 1 31 31 PRO CA C 13 62.453 0.011 . 1 . . . . . 64 PRO CA . 50771 1 299 . 1 . 1 31 31 PRO CB C 13 31.747 0.088 . 1 . . . . . 64 PRO CB . 50771 1 300 . 1 . 1 31 31 PRO CG C 13 28.380 0.044 . 1 . . . . . 64 PRO CG . 50771 1 301 . 1 . 1 31 31 PRO CD C 13 49.261 0.013 . 1 . . . . . 64 PRO CD . 50771 1 302 . 1 . 1 32 32 LEU H H 1 8.006 0.004 . 1 . . . . . 65 LEU H . 50771 1 303 . 1 . 1 32 32 LEU HA H 1 3.965 0.000 . 1 . . . . . 65 LEU HA . 50771 1 304 . 1 . 1 32 32 LEU HB2 H 1 1.098 0.000 . 2 . . . . . 65 LEU HB2 . 50771 1 305 . 1 . 1 32 32 LEU HB3 H 1 1.403 0.000 . 2 . . . . . 65 LEU HB3 . 50771 1 306 . 1 . 1 32 32 LEU HG H 1 1.431 0.000 . 1 . . . . . 65 LEU HG . 50771 1 307 . 1 . 1 32 32 LEU HD11 H 1 0.570 0.000 . 2 . . . . . 65 LEU HD11 . 50771 1 308 . 1 . 1 32 32 LEU HD12 H 1 0.570 0.000 . 2 . . . . . 65 LEU HD12 . 50771 1 309 . 1 . 1 32 32 LEU HD13 H 1 0.570 0.000 . 2 . . . . . 65 LEU HD13 . 50771 1 310 . 1 . 1 32 32 LEU HD21 H 1 0.777 0.000 . 2 . . . . . 65 LEU HD21 . 50771 1 311 . 1 . 1 32 32 LEU HD22 H 1 0.777 0.000 . 2 . . . . . 65 LEU HD22 . 50771 1 312 . 1 . 1 32 32 LEU HD23 H 1 0.777 0.000 . 2 . . . . . 65 LEU HD23 . 50771 1 313 . 1 . 1 32 32 LEU C C 13 178.319 0.000 . 1 . . . . . 65 LEU C . 50771 1 314 . 1 . 1 32 32 LEU CA C 13 55.016 0.043 . 1 . . . . . 65 LEU CA . 50771 1 315 . 1 . 1 32 32 LEU CB C 13 42.794 0.061 . 1 . . . . . 65 LEU CB . 50771 1 316 . 1 . 1 32 32 LEU CG C 13 26.459 0.000 . 1 . . . . . 65 LEU CG . 50771 1 317 . 1 . 1 32 32 LEU CD1 C 13 25.770 0.000 . 2 . . . . . 65 LEU CD1 . 50771 1 318 . 1 . 1 32 32 LEU CD2 C 13 23.109 0.000 . 2 . . . . . 65 LEU CD2 . 50771 1 319 . 1 . 1 32 32 LEU N N 15 120.323 0.016 . 1 . . . . . 65 LEU N . 50771 1 320 . 1 . 1 33 33 ASN H H 1 8.613 0.003 . 1 . . . . . 66 ASN H . 50771 1 321 . 1 . 1 33 33 ASN HA H 1 4.422 0.006 . 1 . . . . . 66 ASN HA . 50771 1 322 . 1 . 1 33 33 ASN HB2 H 1 3.043 0.013 . 2 . . . . . 66 ASN HB2 . 50771 1 323 . 1 . 1 33 33 ASN HB3 H 1 2.719 0.010 . 2 . . . . . 66 ASN HB3 . 50771 1 324 . 1 . 1 33 33 ASN C C 13 175.819 0.000 . 1 . . . . . 66 ASN C . 50771 1 325 . 1 . 1 33 33 ASN CA C 13 53.152 0.068 . 1 . . . . . 66 ASN CA . 50771 1 326 . 1 . 1 33 33 ASN CB C 13 39.795 0.088 . 1 . . . . . 66 ASN CB . 50771 1 327 . 1 . 1 33 33 ASN N N 15 119.002 0.035 . 1 . . . . . 66 ASN N . 50771 1 328 . 1 . 1 34 34 ALA H H 1 8.998 0.005 . 1 . . . . . 67 ALA H . 50771 1 329 . 1 . 1 34 34 ALA HA H 1 4.141 0.016 . 1 . . . . . 67 ALA HA . 50771 1 330 . 1 . 1 34 34 ALA HB1 H 1 1.383 0.019 . 1 . . . . . 67 ALA HB1 . 50771 1 331 . 1 . 1 34 34 ALA HB2 H 1 1.383 0.019 . 1 . . . . . 67 ALA HB2 . 50771 1 332 . 1 . 1 34 34 ALA HB3 H 1 1.383 0.019 . 1 . . . . . 67 ALA HB3 . 50771 1 333 . 1 . 1 34 34 ALA C C 13 177.767 0.000 . 1 . . . . . 67 ALA C . 50771 1 334 . 1 . 1 34 34 ALA CA C 13 54.275 0.037 . 1 . . . . . 67 ALA CA . 50771 1 335 . 1 . 1 34 34 ALA CB C 13 18.515 0.034 . 1 . . . . . 67 ALA CB . 50771 1 336 . 1 . 1 34 34 ALA N N 15 129.743 0.045 . 1 . . . . . 67 ALA N . 50771 1 337 . 1 . 1 35 35 ASN H H 1 8.518 0.004 . 1 . . . . . 68 ASN H . 50771 1 338 . 1 . 1 35 35 ASN HA H 1 4.812 0.034 . 1 . . . . . 68 ASN HA . 50771 1 339 . 1 . 1 35 35 ASN HB2 H 1 2.436 0.020 . 2 . . . . . 68 ASN HB2 . 50771 1 340 . 1 . 1 35 35 ASN HB3 H 1 2.788 0.018 . 2 . . . . . 68 ASN HB3 . 50771 1 341 . 1 . 1 35 35 ASN C C 13 174.834 0.000 . 1 . . . . . 68 ASN C . 50771 1 342 . 1 . 1 35 35 ASN CA C 13 52.990 0.020 . 1 . . . . . 68 ASN CA . 50771 1 343 . 1 . 1 35 35 ASN CB C 13 39.058 0.030 . 1 . . . . . 68 ASN CB . 50771 1 344 . 1 . 1 35 35 ASN N N 15 113.376 0.032 . 1 . . . . . 68 ASN N . 50771 1 345 . 1 . 1 36 36 SER H H 1 7.455 0.004 . 1 . . . . . 69 SER H . 50771 1 346 . 1 . 1 36 36 SER HA H 1 4.611 0.003 . 1 . . . . . 69 SER HA . 50771 1 347 . 1 . 1 36 36 SER HB2 H 1 4.021 0.010 . 2 . . . . . 69 SER HB2 . 50771 1 348 . 1 . 1 36 36 SER HB3 H 1 3.522 0.001 . 2 . . . . . 69 SER HB3 . 50771 1 349 . 1 . 1 36 36 SER C C 13 174.394 0.000 . 1 . . . . . 69 SER C . 50771 1 350 . 1 . 1 36 36 SER CA C 13 55.353 0.110 . 1 . . . . . 69 SER CA . 50771 1 351 . 1 . 1 36 36 SER CB C 13 64.246 0.035 . 1 . . . . . 69 SER CB . 50771 1 352 . 1 . 1 36 36 SER N N 15 113.762 0.143 . 1 . . . . . 69 SER N . 50771 1 353 . 1 . 1 37 37 THR H H 1 8.543 0.003 . 1 . . . . . 70 THR H . 50771 1 354 . 1 . 1 37 37 THR HA H 1 4.880 0.000 . 1 . . . . . 70 THR HA . 50771 1 355 . 1 . 1 37 37 THR HB H 1 4.383 0.000 . 1 . . . . . 70 THR HB . 50771 1 356 . 1 . 1 37 37 THR CA C 13 59.168 0.031 . 1 . . . . . 70 THR CA . 50771 1 357 . 1 . 1 37 37 THR CB C 13 70.261 0.036 . 1 . . . . . 70 THR CB . 50771 1 358 . 1 . 1 37 37 THR N N 15 113.306 0.024 . 1 . . . . . 70 THR N . 50771 1 359 . 1 . 1 38 38 PRO HA H 1 4.296 0.009 . 1 . . . . . 71 PRO HA . 50771 1 360 . 1 . 1 38 38 PRO HB2 H 1 1.927 0.023 . 2 . . . . . 71 PRO HB2 . 50771 1 361 . 1 . 1 38 38 PRO HB3 H 1 2.505 0.000 . 2 . . . . . 71 PRO HB3 . 50771 1 362 . 1 . 1 38 38 PRO C C 13 177.990 0.000 . 1 . . . . . 71 PRO C . 50771 1 363 . 1 . 1 38 38 PRO CA C 13 66.497 0.004 . 1 . . . . . 71 PRO CA . 50771 1 364 . 1 . 1 38 38 PRO CB C 13 31.864 0.054 . 1 . . . . . 71 PRO CB . 50771 1 365 . 1 . 1 39 39 ALA H H 1 7.708 0.001 . 1 . . . . . 72 ALA H . 50771 1 366 . 1 . 1 39 39 ALA HA H 1 4.352 0.016 . 1 . . . . . 72 ALA HA . 50771 1 367 . 1 . 1 39 39 ALA HB1 H 1 1.385 0.015 . 1 . . . . . 72 ALA HB1 . 50771 1 368 . 1 . 1 39 39 ALA HB2 H 1 1.385 0.015 . 1 . . . . . 72 ALA HB2 . 50771 1 369 . 1 . 1 39 39 ALA HB3 H 1 1.385 0.015 . 1 . . . . . 72 ALA HB3 . 50771 1 370 . 1 . 1 39 39 ALA C C 13 179.033 0.000 . 1 . . . . . 72 ALA C . 50771 1 371 . 1 . 1 39 39 ALA CA C 13 54.521 0.038 . 1 . . . . . 72 ALA CA . 50771 1 372 . 1 . 1 39 39 ALA CB C 13 19.157 0.057 . 1 . . . . . 72 ALA CB . 50771 1 373 . 1 . 1 39 39 ALA N N 15 114.043 0.057 . 1 . . . . . 72 ALA N . 50771 1 374 . 1 . 1 40 40 GLN H H 1 7.781 0.003 . 1 . . . . . 73 GLN H . 50771 1 375 . 1 . 1 40 40 GLN HA H 1 4.396 0.016 . 1 . . . . . 73 GLN HA . 50771 1 376 . 1 . 1 40 40 GLN HB2 H 1 2.242 0.039 . 2 . . . . . 73 GLN HB2 . 50771 1 377 . 1 . 1 40 40 GLN HB3 H 1 2.342 0.010 . 2 . . . . . 73 GLN HB3 . 50771 1 378 . 1 . 1 40 40 GLN HG2 H 1 2.155 0.000 . 2 . . . . . 73 GLN HG2 . 50771 1 379 . 1 . 1 40 40 GLN HG3 H 1 2.076 0.000 . 2 . . . . . 73 GLN HG3 . 50771 1 380 . 1 . 1 40 40 GLN C C 13 175.763 0.000 . 1 . . . . . 73 GLN C . 50771 1 381 . 1 . 1 40 40 GLN CA C 13 55.142 0.082 . 1 . . . . . 73 GLN CA . 50771 1 382 . 1 . 1 40 40 GLN CB C 13 31.277 0.012 . 1 . . . . . 73 GLN CB . 50771 1 383 . 1 . 1 40 40 GLN CG C 13 34.987 0.008 . 1 . . . . . 73 GLN CG . 50771 1 384 . 1 . 1 40 40 GLN N N 15 113.293 0.024 . 1 . . . . . 73 GLN N . 50771 1 385 . 1 . 1 41 41 ASN H H 1 7.660 0.003 . 1 . . . . . 74 ASN H . 50771 1 386 . 1 . 1 41 41 ASN HA H 1 5.394 0.000 . 1 . . . . . 74 ASN HA . 50771 1 387 . 1 . 1 41 41 ASN HB2 H 1 3.061 0.000 . 2 . . . . . 74 ASN HB2 . 50771 1 388 . 1 . 1 41 41 ASN HB3 H 1 2.539 0.000 . 2 . . . . . 74 ASN HB3 . 50771 1 389 . 1 . 1 41 41 ASN HD21 H 1 7.241 0.000 . 1 . . . . . 74 ASN HD21 . 50771 1 390 . 1 . 1 41 41 ASN HD22 H 1 7.445 0.000 . 1 . . . . . 74 ASN HD22 . 50771 1 391 . 1 . 1 41 41 ASN C C 13 172.426 0.000 . 1 . . . . . 74 ASN C . 50771 1 392 . 1 . 1 41 41 ASN CA C 13 52.095 0.032 . 1 . . . . . 74 ASN CA . 50771 1 393 . 1 . 1 41 41 ASN CB C 13 36.766 0.058 . 1 . . . . . 74 ASN CB . 50771 1 394 . 1 . 1 41 41 ASN N N 15 121.278 0.034 . 1 . . . . . 74 ASN N . 50771 1 395 . 1 . 1 41 41 ASN ND2 N 15 115.159 0.003 . 1 . . . . . 74 ASN ND2 . 50771 1 396 . 1 . 1 42 42 ALA H H 1 8.185 0.008 . 1 . . . . . 75 ALA H . 50771 1 397 . 1 . 1 42 42 ALA HA H 1 5.260 0.022 . 1 . . . . . 75 ALA HA . 50771 1 398 . 1 . 1 42 42 ALA HB1 H 1 1.681 0.022 . 1 . . . . . 75 ALA HB1 . 50771 1 399 . 1 . 1 42 42 ALA HB2 H 1 1.681 0.022 . 1 . . . . . 75 ALA HB2 . 50771 1 400 . 1 . 1 42 42 ALA HB3 H 1 1.681 0.022 . 1 . . . . . 75 ALA HB3 . 50771 1 401 . 1 . 1 42 42 ALA C C 13 176.600 0.000 . 1 . . . . . 75 ALA C . 50771 1 402 . 1 . 1 42 42 ALA CA C 13 51.807 0.027 . 1 . . . . . 75 ALA CA . 50771 1 403 . 1 . 1 42 42 ALA CB C 13 23.002 0.046 . 1 . . . . . 75 ALA CB . 50771 1 404 . 1 . 1 42 42 ALA N N 15 123.458 0.033 . 1 . . . . . 75 ALA N . 50771 1 405 . 1 . 1 43 43 GLY H H 1 9.469 0.002 . 1 . . . . . 76 GLY H . 50771 1 406 . 1 . 1 43 43 GLY HA2 H 1 4.541 0.000 . 1 . . . . . 76 GLY HA2 . 50771 1 407 . 1 . 1 43 43 GLY HA3 H 1 4.541 0.000 . 1 . . . . . 76 GLY HA3 . 50771 1 408 . 1 . 1 43 43 GLY C C 13 169.509 0.000 . 1 . . . . . 76 GLY C . 50771 1 409 . 1 . 1 43 43 GLY CA C 13 46.881 0.070 . 1 . . . . . 76 GLY CA . 50771 1 410 . 1 . 1 43 43 GLY N N 15 107.894 0.028 . 1 . . . . . 76 GLY N . 50771 1 411 . 1 . 1 44 44 TYR H H 1 8.567 0.010 . 1 . . . . . 77 TYR H . 50771 1 412 . 1 . 1 44 44 TYR HA H 1 5.674 0.004 . 1 . . . . . 77 TYR HA . 50771 1 413 . 1 . 1 44 44 TYR HB2 H 1 1.944 0.002 . 2 . . . . . 77 TYR HB2 . 50771 1 414 . 1 . 1 44 44 TYR HB3 H 1 1.165 0.023 . 2 . . . . . 77 TYR HB3 . 50771 1 415 . 1 . 1 44 44 TYR HD1 H 1 6.985 0.000 . 1 . . . . . 77 TYR HD1 . 50771 1 416 . 1 . 1 44 44 TYR HD2 H 1 6.985 0.000 . 1 . . . . . 77 TYR HD2 . 50771 1 417 . 1 . 1 44 44 TYR C C 13 172.467 0.000 . 1 . . . . . 77 TYR C . 50771 1 418 . 1 . 1 44 44 TYR CA C 13 54.045 0.054 . 1 . . . . . 77 TYR CA . 50771 1 419 . 1 . 1 44 44 TYR CB C 13 40.126 0.081 . 1 . . . . . 77 TYR CB . 50771 1 420 . 1 . 1 44 44 TYR N N 15 117.156 0.220 . 1 . . . . . 77 TYR N . 50771 1 421 . 1 . 1 45 45 TRP H H 1 9.448 0.003 . 1 . . . . . 78 TRP H . 50771 1 422 . 1 . 1 45 45 TRP HA H 1 5.286 0.001 . 1 . . . . . 78 TRP HA . 50771 1 423 . 1 . 1 45 45 TRP HB2 H 1 3.364 0.000 . 2 . . . . . 78 TRP HB2 . 50771 1 424 . 1 . 1 45 45 TRP HB3 H 1 3.161 0.000 . 2 . . . . . 78 TRP HB3 . 50771 1 425 . 1 . 1 45 45 TRP HE3 H 1 7.483 0.000 . 1 . . . . . 78 TRP HE3 . 50771 1 426 . 1 . 1 45 45 TRP HZ2 H 1 7.249 0.000 . 1 . . . . . 78 TRP HZ2 . 50771 1 427 . 1 . 1 45 45 TRP HH2 H 1 7.550 0.000 . 1 . . . . . 78 TRP HH2 . 50771 1 428 . 1 . 1 45 45 TRP C C 13 176.431 0.000 . 1 . . . . . 78 TRP C . 50771 1 429 . 1 . 1 45 45 TRP CA C 13 55.692 0.047 . 1 . . . . . 78 TRP CA . 50771 1 430 . 1 . 1 45 45 TRP CB C 13 32.477 0.046 . 1 . . . . . 78 TRP CB . 50771 1 431 . 1 . 1 45 45 TRP CE3 C 13 122.037 0.000 . 1 . . . . . 78 TRP CE3 . 50771 1 432 . 1 . 1 45 45 TRP CZ2 C 13 116.168 0.000 . 1 . . . . . 78 TRP CZ2 . 50771 1 433 . 1 . 1 45 45 TRP CH2 C 13 126.009 0.000 . 1 . . . . . 78 TRP CH2 . 50771 1 434 . 1 . 1 45 45 TRP N N 15 119.742 0.017 . 1 . . . . . 78 TRP N . 50771 1 435 . 1 . 1 46 46 ARG H H 1 10.158 0.004 . 1 . . . . . 79 ARG H . 50771 1 436 . 1 . 1 46 46 ARG HA H 1 5.830 0.022 . 1 . . . . . 79 ARG HA . 50771 1 437 . 1 . 1 46 46 ARG HB2 H 1 1.856 0.007 . 2 . . . . . 79 ARG HB2 . 50771 1 438 . 1 . 1 46 46 ARG HB3 H 1 2.275 0.007 . 2 . . . . . 79 ARG HB3 . 50771 1 439 . 1 . 1 46 46 ARG HG2 H 1 1.721 0.000 . 1 . . . . . 79 ARG HG2 . 50771 1 440 . 1 . 1 46 46 ARG HG3 H 1 1.721 0.000 . 1 . . . . . 79 ARG HG3 . 50771 1 441 . 1 . 1 46 46 ARG HD2 H 1 3.001 0.000 . 2 . . . . . 79 ARG HD2 . 50771 1 442 . 1 . 1 46 46 ARG HD3 H 1 3.258 0.000 . 2 . . . . . 79 ARG HD3 . 50771 1 443 . 1 . 1 46 46 ARG C C 13 175.941 0.000 . 1 . . . . . 79 ARG C . 50771 1 444 . 1 . 1 46 46 ARG CA C 13 53.603 0.053 . 1 . . . . . 79 ARG CA . 50771 1 445 . 1 . 1 46 46 ARG CB C 13 34.499 0.100 . 1 . . . . . 79 ARG CB . 50771 1 446 . 1 . 1 46 46 ARG CG C 13 28.399 0.000 . 1 . . . . . 79 ARG CG . 50771 1 447 . 1 . 1 46 46 ARG CD C 13 44.387 0.008 . 1 . . . . . 79 ARG CD . 50771 1 448 . 1 . 1 46 46 ARG N N 15 123.820 0.054 . 1 . . . . . 79 ARG N . 50771 1 449 . 1 . 1 47 47 ARG H H 1 8.670 0.003 . 1 . . . . . 80 ARG H . 50771 1 450 . 1 . 1 47 47 ARG HA H 1 3.329 0.000 . 1 . . . . . 80 ARG HA . 50771 1 451 . 1 . 1 47 47 ARG HB2 H 1 -0.685 0.000 . 2 . . . . . 80 ARG HB2 . 50771 1 452 . 1 . 1 47 47 ARG HB3 H 1 1.123 0.000 . 2 . . . . . 80 ARG HB3 . 50771 1 453 . 1 . 1 47 47 ARG HG2 H 1 0.844 0.000 . 2 . . . . . 80 ARG HG2 . 50771 1 454 . 1 . 1 47 47 ARG HG3 H 1 0.261 0.000 . 2 . . . . . 80 ARG HG3 . 50771 1 455 . 1 . 1 47 47 ARG HD2 H 1 3.041 0.000 . 2 . . . . . 80 ARG HD2 . 50771 1 456 . 1 . 1 47 47 ARG HD3 H 1 2.891 0.000 . 2 . . . . . 80 ARG HD3 . 50771 1 457 . 1 . 1 47 47 ARG CA C 13 57.027 0.028 . 1 . . . . . 80 ARG CA . 50771 1 458 . 1 . 1 47 47 ARG CB C 13 29.712 0.052 . 1 . . . . . 80 ARG CB . 50771 1 459 . 1 . 1 47 47 ARG CG C 13 27.288 0.013 . 1 . . . . . 80 ARG CG . 50771 1 460 . 1 . 1 47 47 ARG CD C 13 43.369 0.006 . 1 . . . . . 80 ARG CD . 50771 1 461 . 1 . 1 47 47 ARG N N 15 132.665 0.044 . 1 . . . . . 80 ARG N . 50771 1 462 . 1 . 1 48 48 GLN H H 1 9.443 0.003 . 1 . . . . . 81 GLN H . 50771 1 463 . 1 . 1 48 48 GLN HA H 1 4.590 0.000 . 1 . . . . . 81 GLN HA . 50771 1 464 . 1 . 1 48 48 GLN HB2 H 1 2.438 0.000 . 2 . . . . . 81 GLN HB2 . 50771 1 465 . 1 . 1 48 48 GLN HB3 H 1 2.159 0.000 . 2 . . . . . 81 GLN HB3 . 50771 1 466 . 1 . 1 48 48 GLN HG2 H 1 2.436 0.000 . 1 . . . . . 81 GLN HG2 . 50771 1 467 . 1 . 1 48 48 GLN HG3 H 1 2.436 0.000 . 1 . . . . . 81 GLN HG3 . 50771 1 468 . 1 . 1 48 48 GLN HE21 H 1 7.708 0.000 . 1 . . . . . 81 GLN HE21 . 50771 1 469 . 1 . 1 48 48 GLN HE22 H 1 6.946 0.000 . 1 . . . . . 81 GLN HE22 . 50771 1 470 . 1 . 1 48 48 GLN C C 13 174.522 0.012 . 1 . . . . . 81 GLN C . 50771 1 471 . 1 . 1 48 48 GLN CA C 13 54.696 0.075 . 1 . . . . . 81 GLN CA . 50771 1 472 . 1 . 1 48 48 GLN CB C 13 30.799 0.056 . 1 . . . . . 81 GLN CB . 50771 1 473 . 1 . 1 48 48 GLN CG C 13 34.548 0.000 . 1 . . . . . 81 GLN CG . 50771 1 474 . 1 . 1 48 48 GLN N N 15 129.139 0.031 . 1 . . . . . 81 GLN N . 50771 1 475 . 1 . 1 48 48 GLN NE2 N 15 112.781 0.001 . 1 . . . . . 81 GLN NE2 . 50771 1 476 . 1 . 1 49 49 ASP H H 1 8.478 0.003 . 1 . . . . . 82 ASP H . 50771 1 477 . 1 . 1 49 49 ASP HA H 1 4.721 0.017 . 1 . . . . . 82 ASP HA . 50771 1 478 . 1 . 1 49 49 ASP HB2 H 1 2.549 0.038 . 2 . . . . . 82 ASP HB2 . 50771 1 479 . 1 . 1 49 49 ASP HB3 H 1 2.469 0.000 . 2 . . . . . 82 ASP HB3 . 50771 1 480 . 1 . 1 49 49 ASP C C 13 176.219 0.000 . 1 . . . . . 82 ASP C . 50771 1 481 . 1 . 1 49 49 ASP CA C 13 54.589 0.052 . 1 . . . . . 82 ASP CA . 50771 1 482 . 1 . 1 49 49 ASP CB C 13 41.612 0.116 . 1 . . . . . 82 ASP CB . 50771 1 483 . 1 . 1 49 49 ASP N N 15 126.598 0.016 . 1 . . . . . 82 ASP N . 50771 1 484 . 1 . 1 50 50 ARG H H 1 8.983 0.001 . 1 . . . . . 83 ARG H . 50771 1 485 . 1 . 1 50 50 ARG HA H 1 4.586 0.000 . 1 . . . . . 83 ARG HA . 50771 1 486 . 1 . 1 50 50 ARG HB2 H 1 1.704 0.000 . 2 . . . . . 83 ARG HB2 . 50771 1 487 . 1 . 1 50 50 ARG HB3 H 1 1.632 0.000 . 2 . . . . . 83 ARG HB3 . 50771 1 488 . 1 . 1 50 50 ARG HG2 H 1 1.703 0.000 . 2 . . . . . 83 ARG HG2 . 50771 1 489 . 1 . 1 50 50 ARG HG3 H 1 1.632 0.000 . 2 . . . . . 83 ARG HG3 . 50771 1 490 . 1 . 1 50 50 ARG C C 13 174.400 0.000 . 1 . . . . . 83 ARG C . 50771 1 491 . 1 . 1 50 50 ARG CA C 13 55.868 0.030 . 1 . . . . . 83 ARG CA . 50771 1 492 . 1 . 1 50 50 ARG CB C 13 33.796 0.080 . 1 . . . . . 83 ARG CB . 50771 1 493 . 1 . 1 50 50 ARG CG C 13 27.465 0.007 . 1 . . . . . 83 ARG CG . 50771 1 494 . 1 . 1 50 50 ARG N N 15 123.023 0.029 . 1 . . . . . 83 ARG N . 50771 1 495 . 1 . 1 51 51 LYS H H 1 8.418 0.007 . 1 . . . . . 84 LYS H . 50771 1 496 . 1 . 1 51 51 LYS HA H 1 4.939 0.000 . 1 . . . . . 84 LYS HA . 50771 1 497 . 1 . 1 51 51 LYS HB2 H 1 1.729 0.000 . 2 . . . . . 84 LYS HB2 . 50771 1 498 . 1 . 1 51 51 LYS HB3 H 1 1.629 0.000 . 2 . . . . . 84 LYS HB3 . 50771 1 499 . 1 . 1 51 51 LYS HG2 H 1 1.288 0.000 . 2 . . . . . 84 LYS HG2 . 50771 1 500 . 1 . 1 51 51 LYS HG3 H 1 1.402 0.000 . 2 . . . . . 84 LYS HG3 . 50771 1 501 . 1 . 1 51 51 LYS HD2 H 1 1.285 0.000 . 2 . . . . . 84 LYS HD2 . 50771 1 502 . 1 . 1 51 51 LYS HD3 H 1 1.381 0.000 . 2 . . . . . 84 LYS HD3 . 50771 1 503 . 1 . 1 51 51 LYS HE2 H 1 2.930 0.000 . 1 . . . . . 84 LYS HE2 . 50771 1 504 . 1 . 1 51 51 LYS HE3 H 1 2.930 0.000 . 1 . . . . . 84 LYS HE3 . 50771 1 505 . 1 . 1 51 51 LYS C C 13 175.362 0.000 . 1 . . . . . 84 LYS C . 50771 1 506 . 1 . 1 51 51 LYS CA C 13 55.234 0.066 . 1 . . . . . 84 LYS CA . 50771 1 507 . 1 . 1 51 51 LYS CB C 13 35.106 0.050 . 1 . . . . . 84 LYS CB . 50771 1 508 . 1 . 1 51 51 LYS CG C 13 24.566 0.004 . 1 . . . . . 84 LYS CG . 50771 1 509 . 1 . 1 51 51 LYS CD C 13 29.233 0.139 . 1 . . . . . 84 LYS CD . 50771 1 510 . 1 . 1 51 51 LYS CE C 13 42.291 0.000 . 1 . . . . . 84 LYS CE . 50771 1 511 . 1 . 1 51 51 LYS N N 15 121.642 0.055 . 1 . . . . . 84 LYS N . 50771 1 512 . 1 . 1 52 52 ILE H H 1 8.707 0.002 . 1 . . . . . 85 ILE H . 50771 1 513 . 1 . 1 52 52 ILE HA H 1 4.485 0.000 . 1 . . . . . 85 ILE HA . 50771 1 514 . 1 . 1 52 52 ILE HB H 1 1.774 0.000 . 1 . . . . . 85 ILE HB . 50771 1 515 . 1 . 1 52 52 ILE HG12 H 1 1.074 0.000 . 2 . . . . . 85 ILE HG12 . 50771 1 516 . 1 . 1 52 52 ILE HG13 H 1 1.436 0.000 . 2 . . . . . 85 ILE HG13 . 50771 1 517 . 1 . 1 52 52 ILE HG21 H 1 0.869 0.000 . 1 . . . . . 85 ILE HG21 . 50771 1 518 . 1 . 1 52 52 ILE HG22 H 1 0.869 0.000 . 1 . . . . . 85 ILE HG22 . 50771 1 519 . 1 . 1 52 52 ILE HG23 H 1 0.869 0.000 . 1 . . . . . 85 ILE HG23 . 50771 1 520 . 1 . 1 52 52 ILE HD11 H 1 0.851 0.000 . 1 . . . . . 85 ILE HD11 . 50771 1 521 . 1 . 1 52 52 ILE HD12 H 1 0.851 0.000 . 1 . . . . . 85 ILE HD12 . 50771 1 522 . 1 . 1 52 52 ILE HD13 H 1 0.851 0.000 . 1 . . . . . 85 ILE HD13 . 50771 1 523 . 1 . 1 52 52 ILE C C 13 174.106 0.000 . 1 . . . . . 85 ILE C . 50771 1 524 . 1 . 1 52 52 ILE CA C 13 59.834 0.067 . 1 . . . . . 85 ILE CA . 50771 1 525 . 1 . 1 52 52 ILE CB C 13 41.531 0.061 . 1 . . . . . 85 ILE CB . 50771 1 526 . 1 . 1 52 52 ILE CG1 C 13 27.150 0.007 . 1 . . . . . 85 ILE CG1 . 50771 1 527 . 1 . 1 52 52 ILE CG2 C 13 17.608 0.000 . 1 . . . . . 85 ILE CG2 . 50771 1 528 . 1 . 1 52 52 ILE CD1 C 13 13.605 0.000 . 1 . . . . . 85 ILE CD1 . 50771 1 529 . 1 . 1 52 52 ILE N N 15 119.145 0.019 . 1 . . . . . 85 ILE N . 50771 1 530 . 1 . 1 53 53 ASN H H 1 8.716 0.001 . 1 . . . . . 86 ASN H . 50771 1 531 . 1 . 1 53 53 ASN HA H 1 4.942 0.000 . 1 . . . . . 86 ASN HA . 50771 1 532 . 1 . 1 53 53 ASN HB2 H 1 2.905 0.000 . 2 . . . . . 86 ASN HB2 . 50771 1 533 . 1 . 1 53 53 ASN HB3 H 1 2.650 0.000 . 2 . . . . . 86 ASN HB3 . 50771 1 534 . 1 . 1 53 53 ASN HD21 H 1 7.564 0.000 . 1 . . . . . 86 ASN HD21 . 50771 1 535 . 1 . 1 53 53 ASN HD22 H 1 6.870 0.000 . 1 . . . . . 86 ASN HD22 . 50771 1 536 . 1 . 1 53 53 ASN C C 13 175.604 0.000 . 1 . . . . . 86 ASN C . 50771 1 537 . 1 . 1 53 53 ASN CA C 13 52.973 0.113 . 1 . . . . . 86 ASN CA . 50771 1 538 . 1 . 1 53 53 ASN CB C 13 38.785 0.168 . 1 . . . . . 86 ASN CB . 50771 1 539 . 1 . 1 53 53 ASN N N 15 123.049 0.030 . 1 . . . . . 86 ASN N . 50771 1 540 . 1 . 1 53 53 ASN ND2 N 15 112.510 0.001 . 1 . . . . . 86 ASN ND2 . 50771 1 541 . 1 . 1 54 54 THR H H 1 8.235 0.003 . 1 . . . . . 87 THR H . 50771 1 542 . 1 . 1 54 54 THR HA H 1 4.539 0.000 . 1 . . . . . 87 THR HA . 50771 1 543 . 1 . 1 54 54 THR HB H 1 4.434 0.000 . 1 . . . . . 87 THR HB . 50771 1 544 . 1 . 1 54 54 THR CA C 13 61.388 0.027 . 1 . . . . . 87 THR CA . 50771 1 545 . 1 . 1 54 54 THR CB C 13 70.814 0.056 . 1 . . . . . 87 THR CB . 50771 1 546 . 1 . 1 54 54 THR N N 15 115.511 0.027 . 1 . . . . . 87 THR N . 50771 1 547 . 1 . 1 55 55 GLY HA2 H 1 3.795 0.000 . 2 . . . . . 88 GLY HA2 . 50771 1 548 . 1 . 1 55 55 GLY HA3 H 1 4.198 0.000 . 2 . . . . . 88 GLY HA3 . 50771 1 549 . 1 . 1 55 55 GLY C C 13 174.088 0.000 . 1 . . . . . 88 GLY C . 50771 1 550 . 1 . 1 55 55 GLY CA C 13 45.885 0.004 . 1 . . . . . 88 GLY CA . 50771 1 551 . 1 . 1 56 56 ASN H H 1 8.201 0.009 . 1 . . . . . 89 ASN H . 50771 1 552 . 1 . 1 56 56 ASN HA H 1 4.872 0.000 . 1 . . . . . 89 ASN HA . 50771 1 553 . 1 . 1 56 56 ASN HB2 H 1 2.633 0.000 . 2 . . . . . 89 ASN HB2 . 50771 1 554 . 1 . 1 56 56 ASN HB3 H 1 2.872 0.000 . 2 . . . . . 89 ASN HB3 . 50771 1 555 . 1 . 1 56 56 ASN C C 13 174.715 0.000 . 1 . . . . . 89 ASN C . 50771 1 556 . 1 . 1 56 56 ASN CA C 13 52.680 0.104 . 1 . . . . . 89 ASN CA . 50771 1 557 . 1 . 1 56 56 ASN CB C 13 39.178 0.037 . 1 . . . . . 89 ASN CB . 50771 1 558 . 1 . 1 56 56 ASN N N 15 118.469 0.022 . 1 . . . . . 89 ASN N . 50771 1 559 . 1 . 1 57 57 GLY H H 1 7.960 0.002 . 1 . . . . . 90 GLY H . 50771 1 560 . 1 . 1 57 57 GLY HA2 H 1 4.284 0.017 . 2 . . . . . 90 GLY HA2 . 50771 1 561 . 1 . 1 57 57 GLY HA3 H 1 3.889 0.015 . 2 . . . . . 90 GLY HA3 . 50771 1 562 . 1 . 1 57 57 GLY C C 13 173.463 0.000 . 1 . . . . . 90 GLY C . 50771 1 563 . 1 . 1 57 57 GLY CA C 13 44.597 0.018 . 1 . . . . . 90 GLY CA . 50771 1 564 . 1 . 1 57 57 GLY N N 15 108.916 0.014 . 1 . . . . . 90 GLY N . 50771 1 565 . 1 . 1 58 58 ILE H H 1 8.346 0.002 . 1 . . . . . 91 ILE H . 50771 1 566 . 1 . 1 58 58 ILE HA H 1 4.539 0.000 . 1 . . . . . 91 ILE HA . 50771 1 567 . 1 . 1 58 58 ILE HB H 1 1.771 0.000 . 1 . . . . . 91 ILE HB . 50771 1 568 . 1 . 1 58 58 ILE HG12 H 1 1.142 0.000 . 2 . . . . . 91 ILE HG12 . 50771 1 569 . 1 . 1 58 58 ILE HG13 H 1 1.472 0.000 . 2 . . . . . 91 ILE HG13 . 50771 1 570 . 1 . 1 58 58 ILE HG21 H 1 0.796 0.000 . 1 . . . . . 91 ILE HG21 . 50771 1 571 . 1 . 1 58 58 ILE HG22 H 1 0.796 0.000 . 1 . . . . . 91 ILE HG22 . 50771 1 572 . 1 . 1 58 58 ILE HG23 H 1 0.796 0.000 . 1 . . . . . 91 ILE HG23 . 50771 1 573 . 1 . 1 58 58 ILE HD11 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD11 . 50771 1 574 . 1 . 1 58 58 ILE HD12 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD12 . 50771 1 575 . 1 . 1 58 58 ILE HD13 H 1 0.798 0.000 . 1 . . . . . 91 ILE HD13 . 50771 1 576 . 1 . 1 58 58 ILE C C 13 176.129 0.000 . 1 . . . . . 91 ILE C . 50771 1 577 . 1 . 1 58 58 ILE CA C 13 60.658 0.077 . 1 . . . . . 91 ILE CA . 50771 1 578 . 1 . 1 58 58 ILE CB C 13 38.841 0.106 . 1 . . . . . 91 ILE CB . 50771 1 579 . 1 . 1 58 58 ILE CG1 C 13 27.503 0.009 . 1 . . . . . 91 ILE CG1 . 50771 1 580 . 1 . 1 58 58 ILE CG2 C 13 18.005 0.000 . 1 . . . . . 91 ILE CG2 . 50771 1 581 . 1 . 1 58 58 ILE CD1 C 13 12.608 0.000 . 1 . . . . . 91 ILE CD1 . 50771 1 582 . 1 . 1 58 58 ILE N N 15 121.294 0.020 . 1 . . . . . 91 ILE N . 50771 1 583 . 1 . 1 59 59 LYS H H 1 8.896 0.002 . 1 . . . . . 92 LYS H . 50771 1 584 . 1 . 1 59 59 LYS HA H 1 4.591 0.000 . 1 . . . . . 92 LYS HA . 50771 1 585 . 1 . 1 59 59 LYS HB2 H 1 1.734 0.000 . 2 . . . . . 92 LYS HB2 . 50771 1 586 . 1 . 1 59 59 LYS HB3 H 1 1.647 0.000 . 2 . . . . . 92 LYS HB3 . 50771 1 587 . 1 . 1 59 59 LYS HG2 H 1 1.273 0.000 . 2 . . . . . 92 LYS HG2 . 50771 1 588 . 1 . 1 59 59 LYS HG3 H 1 1.387 0.000 . 2 . . . . . 92 LYS HG3 . 50771 1 589 . 1 . 1 59 59 LYS HD2 H 1 1.630 0.000 . 2 . . . . . 92 LYS HD2 . 50771 1 590 . 1 . 1 59 59 LYS HD3 H 1 1.575 0.000 . 2 . . . . . 92 LYS HD3 . 50771 1 591 . 1 . 1 59 59 LYS HE2 H 1 2.932 0.000 . 1 . . . . . 92 LYS HE2 . 50771 1 592 . 1 . 1 59 59 LYS HE3 H 1 2.932 0.000 . 1 . . . . . 92 LYS HE3 . 50771 1 593 . 1 . 1 59 59 LYS C C 13 175.140 0.000 . 1 . . . . . 92 LYS C . 50771 1 594 . 1 . 1 59 59 LYS CA C 13 54.889 0.070 . 1 . . . . . 92 LYS CA . 50771 1 595 . 1 . 1 59 59 LYS CB C 13 34.719 0.050 . 1 . . . . . 92 LYS CB . 50771 1 596 . 1 . 1 59 59 LYS CG C 13 24.757 0.003 . 1 . . . . . 92 LYS CG . 50771 1 597 . 1 . 1 59 59 LYS CD C 13 29.602 0.000 . 1 . . . . . 92 LYS CD . 50771 1 598 . 1 . 1 59 59 LYS CE C 13 42.102 0.000 . 1 . . . . . 92 LYS CE . 50771 1 599 . 1 . 1 59 59 LYS N N 15 127.733 0.043 . 1 . . . . . 92 LYS N . 50771 1 600 . 1 . 1 60 60 GLN H H 1 8.647 0.001 . 1 . . . . . 93 GLN H . 50771 1 601 . 1 . 1 60 60 GLN HA H 1 4.478 0.000 . 1 . . . . . 93 GLN HA . 50771 1 602 . 1 . 1 60 60 GLN HB2 H 1 1.953 0.000 . 2 . . . . . 93 GLN HB2 . 50771 1 603 . 1 . 1 60 60 GLN HB3 H 1 2.102 0.000 . 2 . . . . . 93 GLN HB3 . 50771 1 604 . 1 . 1 60 60 GLN HG2 H 1 2.365 0.000 . 1 . . . . . 93 GLN HG2 . 50771 1 605 . 1 . 1 60 60 GLN HG3 H 1 2.365 0.000 . 1 . . . . . 93 GLN HG3 . 50771 1 606 . 1 . 1 60 60 GLN HE21 H 1 7.596 0.000 . 1 . . . . . 93 GLN HE21 . 50771 1 607 . 1 . 1 60 60 GLN HE22 H 1 6.879 0.000 . 1 . . . . . 93 GLN HE22 . 50771 1 608 . 1 . 1 60 60 GLN C C 13 175.671 0.000 . 1 . . . . . 93 GLN C . 50771 1 609 . 1 . 1 60 60 GLN CA C 13 55.700 0.034 . 1 . . . . . 93 GLN CA . 50771 1 610 . 1 . 1 60 60 GLN CB C 13 29.695 0.083 . 1 . . . . . 93 GLN CB . 50771 1 611 . 1 . 1 60 60 GLN CG C 13 33.921 0.000 . 1 . . . . . 93 GLN CG . 50771 1 612 . 1 . 1 60 60 GLN N N 15 123.724 0.022 . 1 . . . . . 93 GLN N . 50771 1 613 . 1 . 1 60 60 GLN NE2 N 15 112.492 0.000 . 1 . . . . . 93 GLN NE2 . 50771 1 614 . 1 . 1 61 61 LEU H H 1 8.338 0.003 . 1 . . . . . 94 LEU H . 50771 1 615 . 1 . 1 61 61 LEU HA H 1 4.575 0.000 . 1 . . . . . 94 LEU HA . 50771 1 616 . 1 . 1 61 61 LEU HB2 H 1 1.539 0.000 . 2 . . . . . 94 LEU HB2 . 50771 1 617 . 1 . 1 61 61 LEU HB3 H 1 2.650 0.000 . 2 . . . . . 94 LEU HB3 . 50771 1 618 . 1 . 1 61 61 LEU HG H 1 1.497 0.000 . 1 . . . . . 94 LEU HG . 50771 1 619 . 1 . 1 61 61 LEU HD11 H 1 0.791 0.000 . 2 . . . . . 94 LEU HD11 . 50771 1 620 . 1 . 1 61 61 LEU HD12 H 1 0.791 0.000 . 2 . . . . . 94 LEU HD12 . 50771 1 621 . 1 . 1 61 61 LEU HD13 H 1 0.791 0.000 . 2 . . . . . 94 LEU HD13 . 50771 1 622 . 1 . 1 61 61 LEU HD21 H 1 0.794 0.000 . 2 . . . . . 94 LEU HD21 . 50771 1 623 . 1 . 1 61 61 LEU HD22 H 1 0.794 0.000 . 2 . . . . . 94 LEU HD22 . 50771 1 624 . 1 . 1 61 61 LEU HD23 H 1 0.794 0.000 . 2 . . . . . 94 LEU HD23 . 50771 1 625 . 1 . 1 61 61 LEU C C 13 172.086 0.000 . 1 . . . . . 94 LEU C . 50771 1 626 . 1 . 1 61 61 LEU CA C 13 53.239 0.072 . 1 . . . . . 94 LEU CA . 50771 1 627 . 1 . 1 61 61 LEU CB C 13 43.484 0.021 . 1 . . . . . 94 LEU CB . 50771 1 628 . 1 . 1 61 61 LEU CG C 13 26.911 0.000 . 1 . . . . . 94 LEU CG . 50771 1 629 . 1 . 1 61 61 LEU CD1 C 13 25.568 0.000 . 2 . . . . . 94 LEU CD1 . 50771 1 630 . 1 . 1 61 61 LEU CD2 C 13 22.867 0.000 . 2 . . . . . 94 LEU CD2 . 50771 1 631 . 1 . 1 61 61 LEU N N 15 125.177 0.044 . 1 . . . . . 94 LEU N . 50771 1 632 . 1 . 1 62 62 ALA H H 1 8.300 0.005 . 1 . . . . . 95 ALA H . 50771 1 633 . 1 . 1 62 62 ALA HA H 1 4.539 0.012 . 1 . . . . . 95 ALA HA . 50771 1 634 . 1 . 1 62 62 ALA HB1 H 1 1.177 0.010 . 1 . . . . . 95 ALA HB1 . 50771 1 635 . 1 . 1 62 62 ALA HB2 H 1 1.177 0.010 . 1 . . . . . 95 ALA HB2 . 50771 1 636 . 1 . 1 62 62 ALA HB3 H 1 1.177 0.010 . 1 . . . . . 95 ALA HB3 . 50771 1 637 . 1 . 1 62 62 ALA CA C 13 50.790 0.027 . 1 . . . . . 95 ALA CA . 50771 1 638 . 1 . 1 62 62 ALA CB C 13 18.120 0.019 . 1 . . . . . 95 ALA CB . 50771 1 639 . 1 . 1 62 62 ALA N N 15 125.719 0.024 . 1 . . . . . 95 ALA N . 50771 1 640 . 1 . 1 63 63 PRO C C 13 175.031 0.000 . 1 . . . . . 96 PRO C . 50771 1 641 . 1 . 1 63 63 PRO CA C 13 63.163 0.092 . 1 . . . . . 96 PRO CA . 50771 1 642 . 1 . 1 63 63 PRO CB C 13 32.610 0.090 . 1 . . . . . 96 PRO CB . 50771 1 643 . 1 . 1 64 64 ARG H H 1 8.072 0.003 . 1 . . . . . 97 ARG H . 50771 1 644 . 1 . 1 64 64 ARG HA H 1 5.448 0.000 . 1 . . . . . 97 ARG HA . 50771 1 645 . 1 . 1 64 64 ARG C C 13 174.049 0.000 . 1 . . . . . 97 ARG C . 50771 1 646 . 1 . 1 64 64 ARG CA C 13 54.346 0.029 . 1 . . . . . 97 ARG CA . 50771 1 647 . 1 . 1 64 64 ARG CB C 13 35.116 0.143 . 1 . . . . . 97 ARG CB . 50771 1 648 . 1 . 1 64 64 ARG N N 15 119.192 0.034 . 1 . . . . . 97 ARG N . 50771 1 649 . 1 . 1 65 65 TRP H H 1 9.590 0.003 . 1 . . . . . 98 TRP H . 50771 1 650 . 1 . 1 65 65 TRP HA H 1 5.590 0.000 . 1 . . . . . 98 TRP HA . 50771 1 651 . 1 . 1 65 65 TRP HB2 H 1 3.365 0.000 . 2 . . . . . 98 TRP HB2 . 50771 1 652 . 1 . 1 65 65 TRP HB3 H 1 3.135 0.000 . 2 . . . . . 98 TRP HB3 . 50771 1 653 . 1 . 1 65 65 TRP HD1 H 1 7.329 0.000 . 1 . . . . . 98 TRP HD1 . 50771 1 654 . 1 . 1 65 65 TRP HE3 H 1 7.490 0.000 . 1 . . . . . 98 TRP HE3 . 50771 1 655 . 1 . 1 65 65 TRP HZ2 H 1 7.748 0.000 . 1 . . . . . 98 TRP HZ2 . 50771 1 656 . 1 . 1 65 65 TRP HZ3 H 1 7.120 0.000 . 1 . . . . . 98 TRP HZ3 . 50771 1 657 . 1 . 1 65 65 TRP HH2 H 1 7.388 0.000 . 1 . . . . . 98 TRP HH2 . 50771 1 658 . 1 . 1 65 65 TRP C C 13 175.576 0.000 . 1 . . . . . 98 TRP C . 50771 1 659 . 1 . 1 65 65 TRP CA C 13 55.529 0.065 . 1 . . . . . 98 TRP CA . 50771 1 660 . 1 . 1 65 65 TRP CB C 13 31.202 0.111 . 1 . . . . . 98 TRP CB . 50771 1 661 . 1 . 1 65 65 TRP CD1 C 13 126.061 0.000 . 1 . . . . . 98 TRP CD1 . 50771 1 662 . 1 . 1 65 65 TRP CE3 C 13 121.582 0.000 . 1 . . . . . 98 TRP CE3 . 50771 1 663 . 1 . 1 65 65 TRP CZ2 C 13 112.910 0.000 . 1 . . . . . 98 TRP CZ2 . 50771 1 664 . 1 . 1 65 65 TRP CZ3 C 13 125.899 0.000 . 1 . . . . . 98 TRP CZ3 . 50771 1 665 . 1 . 1 65 65 TRP CH2 C 13 124.832 0.000 . 1 . . . . . 98 TRP CH2 . 50771 1 666 . 1 . 1 65 65 TRP N N 15 124.488 0.075 . 1 . . . . . 98 TRP N . 50771 1 667 . 1 . 1 66 66 TYR H H 1 8.874 0.003 . 1 . . . . . 99 TYR H . 50771 1 668 . 1 . 1 66 66 TYR HA H 1 5.697 0.000 . 1 . . . . . 99 TYR HA . 50771 1 669 . 1 . 1 66 66 TYR HB2 H 1 2.932 0.000 . 2 . . . . . 99 TYR HB2 . 50771 1 670 . 1 . 1 66 66 TYR HB3 H 1 2.818 0.000 . 2 . . . . . 99 TYR HB3 . 50771 1 671 . 1 . 1 66 66 TYR HD1 H 1 7.331 0.000 . 1 . . . . . 99 TYR HD1 . 50771 1 672 . 1 . 1 66 66 TYR HD2 H 1 7.331 0.000 . 1 . . . . . 99 TYR HD2 . 50771 1 673 . 1 . 1 66 66 TYR HE1 H 1 7.226 0.000 . 1 . . . . . 99 TYR HE1 . 50771 1 674 . 1 . 1 66 66 TYR HE2 H 1 7.226 0.000 . 1 . . . . . 99 TYR HE2 . 50771 1 675 . 1 . 1 66 66 TYR CA C 13 57.193 0.026 . 1 . . . . . 99 TYR CA . 50771 1 676 . 1 . 1 66 66 TYR CB C 13 43.884 0.040 . 1 . . . . . 99 TYR CB . 50771 1 677 . 1 . 1 66 66 TYR CD1 C 13 133.464 0.000 . 1 . . . . . 99 TYR CD1 . 50771 1 678 . 1 . 1 66 66 TYR CD2 C 13 133.464 0.000 . 1 . . . . . 99 TYR CD2 . 50771 1 679 . 1 . 1 66 66 TYR CE1 C 13 114.102 0.000 . 1 . . . . . 99 TYR CE1 . 50771 1 680 . 1 . 1 66 66 TYR CE2 C 13 114.102 0.000 . 1 . . . . . 99 TYR CE2 . 50771 1 681 . 1 . 1 66 66 TYR N N 15 119.292 0.031 . 1 . . . . . 99 TYR N . 50771 1 682 . 1 . 1 67 67 PHE HA H 1 4.140 0.000 . 1 . . . . . 100 PHE HA . 50771 1 683 . 1 . 1 67 67 PHE HB2 H 1 -0.129 0.000 . 2 . . . . . 100 PHE HB2 . 50771 1 684 . 1 . 1 67 67 PHE HB3 H 1 1.516 0.000 . 2 . . . . . 100 PHE HB3 . 50771 1 685 . 1 . 1 67 67 PHE HD1 H 1 6.896 0.003 . 1 . . . . . 100 PHE HD1 . 50771 1 686 . 1 . 1 67 67 PHE HD2 H 1 6.896 0.003 . 1 . . . . . 100 PHE HD2 . 50771 1 687 . 1 . 1 67 67 PHE HE1 H 1 7.290 0.000 . 1 . . . . . 100 PHE HE1 . 50771 1 688 . 1 . 1 67 67 PHE HE2 H 1 7.290 0.000 . 1 . . . . . 100 PHE HE2 . 50771 1 689 . 1 . 1 67 67 PHE C C 13 174.877 0.000 . 1 . . . . . 100 PHE C . 50771 1 690 . 1 . 1 67 67 PHE CA C 13 56.755 0.059 . 1 . . . . . 100 PHE CA . 50771 1 691 . 1 . 1 67 67 PHE CB C 13 39.023 0.010 . 1 . . . . . 100 PHE CB . 50771 1 692 . 1 . 1 67 67 PHE CD1 C 13 129.411 0.000 . 1 . . . . . 100 PHE CD1 . 50771 1 693 . 1 . 1 67 67 PHE CD2 C 13 129.411 0.000 . 1 . . . . . 100 PHE CD2 . 50771 1 694 . 1 . 1 67 67 PHE CE1 C 13 130.937 0.000 . 1 . . . . . 100 PHE CE1 . 50771 1 695 . 1 . 1 67 67 PHE CE2 C 13 130.937 0.000 . 1 . . . . . 100 PHE CE2 . 50771 1 696 . 1 . 1 68 68 TYR H H 1 7.865 0.004 . 1 . . . . . 101 TYR H . 50771 1 697 . 1 . 1 68 68 TYR HA H 1 3.651 0.000 . 1 . . . . . 101 TYR HA . 50771 1 698 . 1 . 1 68 68 TYR HB2 H 1 2.538 0.000 . 2 . . . . . 101 TYR HB2 . 50771 1 699 . 1 . 1 68 68 TYR HB3 H 1 1.127 0.000 . 2 . . . . . 101 TYR HB3 . 50771 1 700 . 1 . 1 68 68 TYR C C 13 171.884 0.000 . 1 . . . . . 101 TYR C . 50771 1 701 . 1 . 1 68 68 TYR CA C 13 56.492 0.077 . 1 . . . . . 101 TYR CA . 50771 1 702 . 1 . 1 68 68 TYR CB C 13 40.248 0.030 . 1 . . . . . 101 TYR CB . 50771 1 703 . 1 . 1 68 68 TYR N N 15 127.531 0.047 . 1 . . . . . 101 TYR N . 50771 1 704 . 1 . 1 69 69 TYR H H 1 6.950 0.003 . 1 . . . . . 102 TYR H . 50771 1 705 . 1 . 1 69 69 TYR HA H 1 4.771 0.011 . 1 . . . . . 102 TYR HA . 50771 1 706 . 1 . 1 69 69 TYR HB2 H 1 3.761 0.005 . 2 . . . . . 102 TYR HB2 . 50771 1 707 . 1 . 1 69 69 TYR HB3 H 1 2.856 0.002 . 2 . . . . . 102 TYR HB3 . 50771 1 708 . 1 . 1 69 69 TYR C C 13 176.603 0.000 . 1 . . . . . 102 TYR C . 50771 1 709 . 1 . 1 69 69 TYR CA C 13 59.691 0.046 . 1 . . . . . 102 TYR CA . 50771 1 710 . 1 . 1 69 69 TYR CB C 13 40.536 0.060 . 1 . . . . . 102 TYR CB . 50771 1 711 . 1 . 1 69 69 TYR N N 15 117.469 0.056 . 1 . . . . . 102 TYR N . 50771 1 712 . 1 . 1 70 70 THR H H 1 8.583 0.002 . 1 . . . . . 103 THR H . 50771 1 713 . 1 . 1 70 70 THR HA H 1 4.248 0.002 . 1 . . . . . 103 THR HA . 50771 1 714 . 1 . 1 70 70 THR HB H 1 4.233 0.013 . 1 . . . . . 103 THR HB . 50771 1 715 . 1 . 1 70 70 THR HG21 H 1 1.422 0.001 . 1 . . . . . 103 THR HG21 . 50771 1 716 . 1 . 1 70 70 THR HG22 H 1 1.422 0.001 . 1 . . . . . 103 THR HG22 . 50771 1 717 . 1 . 1 70 70 THR HG23 H 1 1.422 0.001 . 1 . . . . . 103 THR HG23 . 50771 1 718 . 1 . 1 70 70 THR C C 13 175.477 0.000 . 1 . . . . . 103 THR C . 50771 1 719 . 1 . 1 70 70 THR CA C 13 65.185 0.054 . 1 . . . . . 103 THR CA . 50771 1 720 . 1 . 1 70 70 THR CB C 13 69.253 0.034 . 1 . . . . . 103 THR CB . 50771 1 721 . 1 . 1 70 70 THR CG2 C 13 23.373 0.034 . 1 . . . . . 103 THR CG2 . 50771 1 722 . 1 . 1 70 70 THR N N 15 119.896 0.027 . 1 . . . . . 103 THR N . 50771 1 723 . 1 . 1 71 71 GLY H H 1 10.317 0.003 . 1 . . . . . 104 GLY H . 50771 1 724 . 1 . 1 71 71 GLY HA2 H 1 4.128 0.000 . 2 . . . . . 104 GLY HA2 . 50771 1 725 . 1 . 1 71 71 GLY HA3 H 1 4.837 0.000 . 2 . . . . . 104 GLY HA3 . 50771 1 726 . 1 . 1 71 71 GLY CA C 13 46.273 0.008 . 1 . . . . . 104 GLY CA . 50771 1 727 . 1 . 1 71 71 GLY N N 15 115.075 0.041 . 1 . . . . . 104 GLY N . 50771 1 728 . 1 . 1 72 72 THR H H 1 8.152 0.001 . 1 . . . . . 105 THR H . 50771 1 729 . 1 . 1 72 72 THR HA H 1 5.103 0.000 . 1 . . . . . 105 THR HA . 50771 1 730 . 1 . 1 72 72 THR HB H 1 4.257 0.000 . 1 . . . . . 105 THR HB . 50771 1 731 . 1 . 1 72 72 THR HG21 H 1 1.343 0.000 . 1 . . . . . 105 THR HG21 . 50771 1 732 . 1 . 1 72 72 THR HG22 H 1 1.343 0.000 . 1 . . . . . 105 THR HG22 . 50771 1 733 . 1 . 1 72 72 THR HG23 H 1 1.343 0.000 . 1 . . . . . 105 THR HG23 . 50771 1 734 . 1 . 1 72 72 THR C C 13 174.565 0.000 . 1 . . . . . 105 THR C . 50771 1 735 . 1 . 1 72 72 THR CA C 13 59.420 0.059 . 1 . . . . . 105 THR CA . 50771 1 736 . 1 . 1 72 72 THR CB C 13 73.730 0.063 . 1 . . . . . 105 THR CB . 50771 1 737 . 1 . 1 72 72 THR CG2 C 13 21.483 0.000 . 1 . . . . . 105 THR CG2 . 50771 1 738 . 1 . 1 72 72 THR N N 15 109.132 0.017 . 1 . . . . . 105 THR N . 50771 1 739 . 1 . 1 73 73 GLY H H 1 9.108 0.003 . 1 . . . . . 106 GLY H . 50771 1 740 . 1 . 1 73 73 GLY CA C 13 45.895 0.000 . 1 . . . . . 106 GLY CA . 50771 1 741 . 1 . 1 73 73 GLY N N 15 106.887 0.032 . 1 . . . . . 106 GLY N . 50771 1 742 . 1 . 1 74 74 PRO HA H 1 4.144 0.000 . 1 . . . . . 107 PRO HA . 50771 1 743 . 1 . 1 74 74 PRO HB2 H 1 1.601 0.000 . 2 . . . . . 107 PRO HB2 . 50771 1 744 . 1 . 1 74 74 PRO HB3 H 1 2.333 0.000 . 2 . . . . . 107 PRO HB3 . 50771 1 745 . 1 . 1 74 74 PRO C C 13 177.487 0.000 . 1 . . . . . 107 PRO C . 50771 1 746 . 1 . 1 74 74 PRO CA C 13 64.567 0.087 . 1 . . . . . 107 PRO CA . 50771 1 747 . 1 . 1 74 74 PRO CB C 13 32.234 0.050 . 1 . . . . . 107 PRO CB . 50771 1 748 . 1 . 1 75 75 GLU H H 1 7.593 0.002 . 1 . . . . . 108 GLU H . 50771 1 749 . 1 . 1 75 75 GLU HA H 1 4.804 0.000 . 1 . . . . . 108 GLU HA . 50771 1 750 . 1 . 1 75 75 GLU HB2 H 1 2.098 0.000 . 1 . . . . . 108 GLU HB2 . 50771 1 751 . 1 . 1 75 75 GLU HB3 H 1 2.098 0.000 . 1 . . . . . 108 GLU HB3 . 50771 1 752 . 1 . 1 75 75 GLU HG2 H 1 1.881 0.000 . 2 . . . . . 108 GLU HG2 . 50771 1 753 . 1 . 1 75 75 GLU HG3 H 1 1.667 0.000 . 2 . . . . . 108 GLU HG3 . 50771 1 754 . 1 . 1 75 75 GLU C C 13 176.900 0.000 . 1 . . . . . 108 GLU C . 50771 1 755 . 1 . 1 75 75 GLU CA C 13 52.881 0.024 . 1 . . . . . 108 GLU CA . 50771 1 756 . 1 . 1 75 75 GLU CB C 13 25.635 0.105 . 1 . . . . . 108 GLU CB . 50771 1 757 . 1 . 1 75 75 GLU CG C 13 34.083 0.004 . 1 . . . . . 108 GLU CG . 50771 1 758 . 1 . 1 75 75 GLU N N 15 114.523 0.029 . 1 . . . . . 108 GLU N . 50771 1 759 . 1 . 1 76 76 ALA H H 1 7.025 0.003 . 1 . . . . . 109 ALA H . 50771 1 760 . 1 . 1 76 76 ALA HA H 1 3.624 0.005 . 1 . . . . . 109 ALA HA . 50771 1 761 . 1 . 1 76 76 ALA HB1 H 1 1.297 0.011 . 1 . . . . . 109 ALA HB1 . 50771 1 762 . 1 . 1 76 76 ALA HB2 H 1 1.297 0.011 . 1 . . . . . 109 ALA HB2 . 50771 1 763 . 1 . 1 76 76 ALA HB3 H 1 1.297 0.011 . 1 . . . . . 109 ALA HB3 . 50771 1 764 . 1 . 1 76 76 ALA C C 13 176.956 0.000 . 1 . . . . . 109 ALA C . 50771 1 765 . 1 . 1 76 76 ALA CA C 13 55.519 0.046 . 1 . . . . . 109 ALA CA . 50771 1 766 . 1 . 1 76 76 ALA CB C 13 18.634 0.020 . 1 . . . . . 109 ALA CB . 50771 1 767 . 1 . 1 76 76 ALA N N 15 123.320 0.023 . 1 . . . . . 109 ALA N . 50771 1 768 . 1 . 1 77 77 ALA H H 1 7.991 0.002 . 1 . . . . . 110 ALA H . 50771 1 769 . 1 . 1 77 77 ALA HA H 1 4.277 0.008 . 1 . . . . . 110 ALA HA . 50771 1 770 . 1 . 1 77 77 ALA HB1 H 1 1.334 0.007 . 1 . . . . . 110 ALA HB1 . 50771 1 771 . 1 . 1 77 77 ALA HB2 H 1 1.334 0.007 . 1 . . . . . 110 ALA HB2 . 50771 1 772 . 1 . 1 77 77 ALA HB3 H 1 1.334 0.007 . 1 . . . . . 110 ALA HB3 . 50771 1 773 . 1 . 1 77 77 ALA C C 13 178.276 0.000 . 1 . . . . . 110 ALA C . 50771 1 774 . 1 . 1 77 77 ALA CA C 13 52.056 0.076 . 1 . . . . . 110 ALA CA . 50771 1 775 . 1 . 1 77 77 ALA CB C 13 18.715 0.006 . 1 . . . . . 110 ALA CB . 50771 1 776 . 1 . 1 77 77 ALA N N 15 114.131 0.037 . 1 . . . . . 110 ALA N . 50771 1 777 . 1 . 1 78 78 LEU H H 1 7.683 0.002 . 1 . . . . . 111 LEU H . 50771 1 778 . 1 . 1 78 78 LEU HA H 1 4.525 0.000 . 1 . . . . . 111 LEU HA . 50771 1 779 . 1 . 1 78 78 LEU HB2 H 1 1.870 0.000 . 1 . . . . . 111 LEU HB2 . 50771 1 780 . 1 . 1 78 78 LEU HB3 H 1 1.870 0.000 . 1 . . . . . 111 LEU HB3 . 50771 1 781 . 1 . 1 78 78 LEU HG H 1 1.956 0.000 . 1 . . . . . 111 LEU HG . 50771 1 782 . 1 . 1 78 78 LEU HD11 H 1 0.862 0.000 . 2 . . . . . 111 LEU HD11 . 50771 1 783 . 1 . 1 78 78 LEU HD12 H 1 0.862 0.000 . 2 . . . . . 111 LEU HD12 . 50771 1 784 . 1 . 1 78 78 LEU HD13 H 1 0.862 0.000 . 2 . . . . . 111 LEU HD13 . 50771 1 785 . 1 . 1 78 78 LEU HD21 H 1 0.878 0.000 . 2 . . . . . 111 LEU HD21 . 50771 1 786 . 1 . 1 78 78 LEU HD22 H 1 0.878 0.000 . 2 . . . . . 111 LEU HD22 . 50771 1 787 . 1 . 1 78 78 LEU HD23 H 1 0.878 0.000 . 2 . . . . . 111 LEU HD23 . 50771 1 788 . 1 . 1 78 78 LEU CA C 13 53.003 0.038 . 1 . . . . . 111 LEU CA . 50771 1 789 . 1 . 1 78 78 LEU CB C 13 42.231 0.005 . 1 . . . . . 111 LEU CB . 50771 1 790 . 1 . 1 78 78 LEU CG C 13 26.446 0.000 . 1 . . . . . 111 LEU CG . 50771 1 791 . 1 . 1 78 78 LEU CD1 C 13 24.213 0.000 . 2 . . . . . 111 LEU CD1 . 50771 1 792 . 1 . 1 78 78 LEU CD2 C 13 25.746 0.000 . 2 . . . . . 111 LEU CD2 . 50771 1 793 . 1 . 1 78 78 LEU N N 15 122.155 0.038 . 1 . . . . . 111 LEU N . 50771 1 794 . 1 . 1 79 79 PRO HA H 1 4.369 0.000 . 1 . . . . . 112 PRO HA . 50771 1 795 . 1 . 1 79 79 PRO HB2 H 1 1.730 0.000 . 2 . . . . . 112 PRO HB2 . 50771 1 796 . 1 . 1 79 79 PRO HB3 H 1 2.268 0.000 . 2 . . . . . 112 PRO HB3 . 50771 1 797 . 1 . 1 79 79 PRO HG2 H 1 1.988 0.000 . 1 . . . . . 112 PRO HG2 . 50771 1 798 . 1 . 1 79 79 PRO HG3 H 1 1.988 0.000 . 1 . . . . . 112 PRO HG3 . 50771 1 799 . 1 . 1 79 79 PRO HD2 H 1 3.732 0.000 . 2 . . . . . 112 PRO HD2 . 50771 1 800 . 1 . 1 79 79 PRO HD3 H 1 3.808 0.000 . 2 . . . . . 112 PRO HD3 . 50771 1 801 . 1 . 1 79 79 PRO C C 13 174.541 0.000 . 1 . . . . . 112 PRO C . 50771 1 802 . 1 . 1 79 79 PRO CA C 13 62.066 0.063 . 1 . . . . . 112 PRO CA . 50771 1 803 . 1 . 1 79 79 PRO CB C 13 32.193 0.044 . 1 . . . . . 112 PRO CB . 50771 1 804 . 1 . 1 79 79 PRO CG C 13 27.562 0.000 . 1 . . . . . 112 PRO CG . 50771 1 805 . 1 . 1 79 79 PRO CD C 13 50.862 0.006 . 1 . . . . . 112 PRO CD . 50771 1 806 . 1 . 1 80 80 PHE H H 1 8.274 0.002 . 1 . . . . . 113 PHE H . 50771 1 807 . 1 . 1 80 80 PHE HA H 1 2.715 0.000 . 1 . . . . . 113 PHE HA . 50771 1 808 . 1 . 1 80 80 PHE HB2 H 1 3.005 0.000 . 2 . . . . . 113 PHE HB2 . 50771 1 809 . 1 . 1 80 80 PHE HB3 H 1 2.547 0.000 . 2 . . . . . 113 PHE HB3 . 50771 1 810 . 1 . 1 80 80 PHE HD1 H 1 7.219 0.000 . 1 . . . . . 113 PHE HD1 . 50771 1 811 . 1 . 1 80 80 PHE HD2 H 1 7.219 0.000 . 1 . . . . . 113 PHE HD2 . 50771 1 812 . 1 . 1 80 80 PHE C C 13 175.634 0.000 . 1 . . . . . 113 PHE C . 50771 1 813 . 1 . 1 80 80 PHE CA C 13 59.127 0.103 . 1 . . . . . 113 PHE CA . 50771 1 814 . 1 . 1 80 80 PHE CB C 13 39.295 0.030 . 1 . . . . . 113 PHE CB . 50771 1 815 . 1 . 1 80 80 PHE CD1 C 13 133.058 0.000 . 1 . . . . . 113 PHE CD1 . 50771 1 816 . 1 . 1 80 80 PHE CD2 C 13 133.058 0.000 . 1 . . . . . 113 PHE CD2 . 50771 1 817 . 1 . 1 80 80 PHE N N 15 119.583 0.051 . 1 . . . . . 113 PHE N . 50771 1 818 . 1 . 1 81 81 ARG H H 1 3.068 0.003 . 1 . . . . . 114 ARG H . 50771 1 819 . 1 . 1 81 81 ARG HA H 1 1.591 0.000 . 1 . . . . . 114 ARG HA . 50771 1 820 . 1 . 1 81 81 ARG HB2 H 1 1.523 0.000 . 2 . . . . . 114 ARG HB2 . 50771 1 821 . 1 . 1 81 81 ARG HB3 H 1 1.398 0.000 . 2 . . . . . 114 ARG HB3 . 50771 1 822 . 1 . 1 81 81 ARG C C 13 175.192 0.000 . 1 . . . . . 114 ARG C . 50771 1 823 . 1 . 1 81 81 ARG CA C 13 59.108 0.143 . 1 . . . . . 114 ARG CA . 50771 1 824 . 1 . 1 81 81 ARG CB C 13 27.597 0.066 . 1 . . . . . 114 ARG CB . 50771 1 825 . 1 . 1 81 81 ARG N N 15 116.462 0.008 . 1 . . . . . 114 ARG N . 50771 1 826 . 1 . 1 82 82 ALA H H 1 7.730 0.002 . 1 . . . . . 115 ALA H . 50771 1 827 . 1 . 1 82 82 ALA HA H 1 4.088 0.000 . 1 . . . . . 115 ALA HA . 50771 1 828 . 1 . 1 82 82 ALA HB1 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB1 . 50771 1 829 . 1 . 1 82 82 ALA HB2 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB2 . 50771 1 830 . 1 . 1 82 82 ALA HB3 H 1 1.483 0.000 . 1 . . . . . 115 ALA HB3 . 50771 1 831 . 1 . 1 82 82 ALA C C 13 177.571 0.000 . 1 . . . . . 115 ALA C . 50771 1 832 . 1 . 1 82 82 ALA CA C 13 53.434 0.077 . 1 . . . . . 115 ALA CA . 50771 1 833 . 1 . 1 82 82 ALA CB C 13 19.959 0.054 . 1 . . . . . 115 ALA CB . 50771 1 834 . 1 . 1 82 82 ALA N N 15 124.094 0.012 . 1 . . . . . 115 ALA N . 50771 1 835 . 1 . 1 83 83 VAL H H 1 8.321 0.004 . 1 . . . . . 116 VAL H . 50771 1 836 . 1 . 1 83 83 VAL HA H 1 4.053 0.000 . 1 . . . . . 116 VAL HA . 50771 1 837 . 1 . 1 83 83 VAL HB H 1 2.004 0.000 . 1 . . . . . 116 VAL HB . 50771 1 838 . 1 . 1 83 83 VAL HG11 H 1 0.982 0.000 . 2 . . . . . 116 VAL HG11 . 50771 1 839 . 1 . 1 83 83 VAL HG12 H 1 0.982 0.000 . 2 . . . . . 116 VAL HG12 . 50771 1 840 . 1 . 1 83 83 VAL HG13 H 1 0.982 0.000 . 2 . . . . . 116 VAL HG13 . 50771 1 841 . 1 . 1 83 83 VAL HG21 H 1 1.097 0.000 . 2 . . . . . 116 VAL HG21 . 50771 1 842 . 1 . 1 83 83 VAL HG22 H 1 1.097 0.000 . 2 . . . . . 116 VAL HG22 . 50771 1 843 . 1 . 1 83 83 VAL HG23 H 1 1.097 0.000 . 2 . . . . . 116 VAL HG23 . 50771 1 844 . 1 . 1 83 83 VAL C C 13 176.473 0.000 . 1 . . . . . 116 VAL C . 50771 1 845 . 1 . 1 83 83 VAL CA C 13 63.425 0.108 . 1 . . . . . 116 VAL CA . 50771 1 846 . 1 . 1 83 83 VAL CB C 13 32.141 0.083 . 1 . . . . . 116 VAL CB . 50771 1 847 . 1 . 1 83 83 VAL CG1 C 13 21.477 0.000 . 1 . . . . . 116 VAL CG1 . 50771 1 848 . 1 . 1 83 83 VAL CG2 C 13 21.477 0.000 . 1 . . . . . 116 VAL CG2 . 50771 1 849 . 1 . 1 83 83 VAL N N 15 122.886 0.305 . 1 . . . . . 116 VAL N . 50771 1 850 . 1 . 1 84 84 LYS H H 1 8.752 0.003 . 1 . . . . . 117 LYS H . 50771 1 851 . 1 . 1 84 84 LYS HA H 1 4.301 0.000 . 1 . . . . . 117 LYS HA . 50771 1 852 . 1 . 1 84 84 LYS HB2 H 1 1.464 0.000 . 2 . . . . . 117 LYS HB2 . 50771 1 853 . 1 . 1 84 84 LYS HB3 H 1 1.766 0.000 . 2 . . . . . 117 LYS HB3 . 50771 1 854 . 1 . 1 84 84 LYS HG2 H 1 1.463 0.000 . 2 . . . . . 117 LYS HG2 . 50771 1 855 . 1 . 1 84 84 LYS HG3 H 1 1.406 0.000 . 2 . . . . . 117 LYS HG3 . 50771 1 856 . 1 . 1 84 84 LYS HD2 H 1 1.482 0.000 . 2 . . . . . 117 LYS HD2 . 50771 1 857 . 1 . 1 84 84 LYS HD3 H 1 1.567 0.000 . 2 . . . . . 117 LYS HD3 . 50771 1 858 . 1 . 1 84 84 LYS HE2 H 1 2.955 0.000 . 1 . . . . . 117 LYS HE2 . 50771 1 859 . 1 . 1 84 84 LYS HE3 H 1 2.955 0.000 . 1 . . . . . 117 LYS HE3 . 50771 1 860 . 1 . 1 84 84 LYS C C 13 174.169 0.000 . 1 . . . . . 117 LYS C . 50771 1 861 . 1 . 1 84 84 LYS CA C 13 56.645 0.072 . 1 . . . . . 117 LYS CA . 50771 1 862 . 1 . 1 84 84 LYS CB C 13 35.453 0.033 . 1 . . . . . 117 LYS CB . 50771 1 863 . 1 . 1 84 84 LYS CG C 13 25.199 0.005 . 1 . . . . . 117 LYS CG . 50771 1 864 . 1 . 1 84 84 LYS CD C 13 30.261 0.010 . 1 . . . . . 117 LYS CD . 50771 1 865 . 1 . 1 84 84 LYS CE C 13 42.328 0.000 . 1 . . . . . 117 LYS CE . 50771 1 866 . 1 . 1 84 84 LYS N N 15 129.311 0.031 . 1 . . . . . 117 LYS N . 50771 1 867 . 1 . 1 85 85 ASP H H 1 8.595 0.003 . 1 . . . . . 118 ASP H . 50771 1 868 . 1 . 1 85 85 ASP HA H 1 4.505 0.025 . 1 . . . . . 118 ASP HA . 50771 1 869 . 1 . 1 85 85 ASP HB2 H 1 2.583 0.014 . 2 . . . . . 118 ASP HB2 . 50771 1 870 . 1 . 1 85 85 ASP HB3 H 1 2.707 0.028 . 2 . . . . . 118 ASP HB3 . 50771 1 871 . 1 . 1 85 85 ASP C C 13 176.955 0.000 . 1 . . . . . 118 ASP C . 50771 1 872 . 1 . 1 85 85 ASP CA C 13 56.575 0.114 . 1 . . . . . 118 ASP CA . 50771 1 873 . 1 . 1 85 85 ASP CB C 13 41.406 0.059 . 1 . . . . . 118 ASP CB . 50771 1 874 . 1 . 1 85 85 ASP N N 15 125.989 0.026 . 1 . . . . . 118 ASP N . 50771 1 875 . 1 . 1 86 86 GLY H H 1 8.968 0.001 . 1 . . . . . 119 GLY H . 50771 1 876 . 1 . 1 86 86 GLY HA2 H 1 4.186 0.023 . 2 . . . . . 119 GLY HA2 . 50771 1 877 . 1 . 1 86 86 GLY HA3 H 1 3.490 0.012 . 2 . . . . . 119 GLY HA3 . 50771 1 878 . 1 . 1 86 86 GLY C C 13 171.863 0.000 . 1 . . . . . 119 GLY C . 50771 1 879 . 1 . 1 86 86 GLY CA C 13 45.770 0.043 . 1 . . . . . 119 GLY CA . 50771 1 880 . 1 . 1 86 86 GLY N N 15 112.655 0.038 . 1 . . . . . 119 GLY N . 50771 1 881 . 1 . 1 87 87 ILE H H 1 7.852 0.002 . 1 . . . . . 120 ILE H . 50771 1 882 . 1 . 1 87 87 ILE HA H 1 5.423 0.000 . 1 . . . . . 120 ILE HA . 50771 1 883 . 1 . 1 87 87 ILE HB H 1 2.178 0.000 . 1 . . . . . 120 ILE HB . 50771 1 884 . 1 . 1 87 87 ILE HG12 H 1 1.321 0.000 . 2 . . . . . 120 ILE HG12 . 50771 1 885 . 1 . 1 87 87 ILE HG13 H 1 0.941 0.000 . 2 . . . . . 120 ILE HG13 . 50771 1 886 . 1 . 1 87 87 ILE HG21 H 1 0.201 0.000 . 1 . . . . . 120 ILE HG21 . 50771 1 887 . 1 . 1 87 87 ILE HG22 H 1 0.201 0.000 . 1 . . . . . 120 ILE HG22 . 50771 1 888 . 1 . 1 87 87 ILE HG23 H 1 0.201 0.000 . 1 . . . . . 120 ILE HG23 . 50771 1 889 . 1 . 1 87 87 ILE HD11 H 1 0.645 0.000 . 1 . . . . . 120 ILE HD11 . 50771 1 890 . 1 . 1 87 87 ILE HD12 H 1 0.645 0.000 . 1 . . . . . 120 ILE HD12 . 50771 1 891 . 1 . 1 87 87 ILE HD13 H 1 0.645 0.000 . 1 . . . . . 120 ILE HD13 . 50771 1 892 . 1 . 1 87 87 ILE C C 13 176.590 0.000 . 1 . . . . . 120 ILE C . 50771 1 893 . 1 . 1 87 87 ILE CA C 13 58.186 0.044 . 1 . . . . . 120 ILE CA . 50771 1 894 . 1 . 1 87 87 ILE CB C 13 37.727 0.081 . 1 . . . . . 120 ILE CB . 50771 1 895 . 1 . 1 87 87 ILE CG1 C 13 27.043 0.003 . 1 . . . . . 120 ILE CG1 . 50771 1 896 . 1 . 1 87 87 ILE CG2 C 13 17.208 0.000 . 1 . . . . . 120 ILE CG2 . 50771 1 897 . 1 . 1 87 87 ILE CD1 C 13 11.813 0.000 . 1 . . . . . 120 ILE CD1 . 50771 1 898 . 1 . 1 87 87 ILE N N 15 117.939 0.015 . 1 . . . . . 120 ILE N . 50771 1 899 . 1 . 1 88 88 VAL H H 1 9.414 0.005 . 1 . . . . . 121 VAL H . 50771 1 900 . 1 . 1 88 88 VAL HA H 1 4.654 0.000 . 1 . . . . . 121 VAL HA . 50771 1 901 . 1 . 1 88 88 VAL HB H 1 2.139 0.000 . 1 . . . . . 121 VAL HB . 50771 1 902 . 1 . 1 88 88 VAL HG11 H 1 1.064 0.000 . 2 . . . . . 121 VAL HG11 . 50771 1 903 . 1 . 1 88 88 VAL HG12 H 1 1.064 0.000 . 2 . . . . . 121 VAL HG12 . 50771 1 904 . 1 . 1 88 88 VAL HG13 H 1 1.064 0.000 . 2 . . . . . 121 VAL HG13 . 50771 1 905 . 1 . 1 88 88 VAL HG21 H 1 1.000 0.000 . 2 . . . . . 121 VAL HG21 . 50771 1 906 . 1 . 1 88 88 VAL HG22 H 1 1.000 0.000 . 2 . . . . . 121 VAL HG22 . 50771 1 907 . 1 . 1 88 88 VAL HG23 H 1 1.000 0.000 . 2 . . . . . 121 VAL HG23 . 50771 1 908 . 1 . 1 88 88 VAL C C 13 175.246 0.000 . 1 . . . . . 121 VAL C . 50771 1 909 . 1 . 1 88 88 VAL CA C 13 61.219 0.076 . 1 . . . . . 121 VAL CA . 50771 1 910 . 1 . 1 88 88 VAL CB C 13 35.495 0.075 . 1 . . . . . 121 VAL CB . 50771 1 911 . 1 . 1 88 88 VAL CG1 C 13 22.092 0.000 . 2 . . . . . 121 VAL CG1 . 50771 1 912 . 1 . 1 88 88 VAL CG2 C 13 20.733 0.000 . 2 . . . . . 121 VAL CG2 . 50771 1 913 . 1 . 1 88 88 VAL N N 15 128.955 0.022 . 1 . . . . . 121 VAL N . 50771 1 914 . 1 . 1 89 89 TRP H H 1 8.927 0.002 . 1 . . . . . 122 TRP H . 50771 1 915 . 1 . 1 89 89 TRP HA H 1 5.198 0.000 . 1 . . . . . 122 TRP HA . 50771 1 916 . 1 . 1 89 89 TRP HB2 H 1 3.077 0.000 . 1 . . . . . 122 TRP HB2 . 50771 1 917 . 1 . 1 89 89 TRP HB3 H 1 3.077 0.000 . 1 . . . . . 122 TRP HB3 . 50771 1 918 . 1 . 1 89 89 TRP HD1 H 1 7.197 0.000 . 1 . . . . . 122 TRP HD1 . 50771 1 919 . 1 . 1 89 89 TRP HE3 H 1 7.277 0.000 . 1 . . . . . 122 TRP HE3 . 50771 1 920 . 1 . 1 89 89 TRP HZ2 H 1 7.703 0.000 . 1 . . . . . 122 TRP HZ2 . 50771 1 921 . 1 . 1 89 89 TRP HZ3 H 1 6.956 0.000 . 1 . . . . . 122 TRP HZ3 . 50771 1 922 . 1 . 1 89 89 TRP HH2 H 1 7.378 0.000 . 1 . . . . . 122 TRP HH2 . 50771 1 923 . 1 . 1 89 89 TRP C C 13 176.826 0.000 . 1 . . . . . 122 TRP C . 50771 1 924 . 1 . 1 89 89 TRP CA C 13 58.021 0.121 . 1 . . . . . 122 TRP CA . 50771 1 925 . 1 . 1 89 89 TRP CB C 13 30.339 0.078 . 1 . . . . . 122 TRP CB . 50771 1 926 . 1 . 1 89 89 TRP CD1 C 13 127.423 0.000 . 1 . . . . . 122 TRP CD1 . 50771 1 927 . 1 . 1 89 89 TRP CE3 C 13 119.973 0.000 . 1 . . . . . 122 TRP CE3 . 50771 1 928 . 1 . 1 89 89 TRP CZ2 C 13 112.990 0.000 . 1 . . . . . 122 TRP CZ2 . 50771 1 929 . 1 . 1 89 89 TRP CZ3 C 13 122.914 0.000 . 1 . . . . . 122 TRP CZ3 . 50771 1 930 . 1 . 1 89 89 TRP CH2 C 13 123.573 0.000 . 1 . . . . . 122 TRP CH2 . 50771 1 931 . 1 . 1 89 89 TRP N N 15 128.246 0.030 . 1 . . . . . 122 TRP N . 50771 1 932 . 1 . 1 90 90 VAL H H 1 9.811 0.003 . 1 . . . . . 123 VAL H . 50771 1 933 . 1 . 1 90 90 VAL HA H 1 5.170 0.000 . 1 . . . . . 123 VAL HA . 50771 1 934 . 1 . 1 90 90 VAL HB H 1 2.133 0.000 . 1 . . . . . 123 VAL HB . 50771 1 935 . 1 . 1 90 90 VAL HG11 H 1 1.125 0.000 . 2 . . . . . 123 VAL HG11 . 50771 1 936 . 1 . 1 90 90 VAL HG12 H 1 1.125 0.000 . 2 . . . . . 123 VAL HG12 . 50771 1 937 . 1 . 1 90 90 VAL HG13 H 1 1.125 0.000 . 2 . . . . . 123 VAL HG13 . 50771 1 938 . 1 . 1 90 90 VAL HG21 H 1 1.010 0.000 . 2 . . . . . 123 VAL HG21 . 50771 1 939 . 1 . 1 90 90 VAL HG22 H 1 1.010 0.000 . 2 . . . . . 123 VAL HG22 . 50771 1 940 . 1 . 1 90 90 VAL HG23 H 1 1.010 0.000 . 2 . . . . . 123 VAL HG23 . 50771 1 941 . 1 . 1 90 90 VAL C C 13 174.716 0.000 . 1 . . . . . 123 VAL C . 50771 1 942 . 1 . 1 90 90 VAL CA C 13 59.155 0.055 . 1 . . . . . 123 VAL CA . 50771 1 943 . 1 . 1 90 90 VAL CB C 13 36.133 0.102 . 1 . . . . . 123 VAL CB . 50771 1 944 . 1 . 1 90 90 VAL CG1 C 13 25.207 0.000 . 2 . . . . . 123 VAL CG1 . 50771 1 945 . 1 . 1 90 90 VAL CG2 C 13 20.488 0.000 . 2 . . . . . 123 VAL CG2 . 50771 1 946 . 1 . 1 90 90 VAL N N 15 116.073 0.021 . 1 . . . . . 123 VAL N . 50771 1 947 . 1 . 1 91 91 HIS H H 1 8.847 0.004 . 1 . . . . . 124 HIS H . 50771 1 948 . 1 . 1 91 91 HIS HA H 1 5.148 0.000 . 1 . . . . . 124 HIS HA . 50771 1 949 . 1 . 1 91 91 HIS HB2 H 1 3.767 0.000 . 2 . . . . . 124 HIS HB2 . 50771 1 950 . 1 . 1 91 91 HIS HB3 H 1 3.217 0.000 . 2 . . . . . 124 HIS HB3 . 50771 1 951 . 1 . 1 91 91 HIS HD2 H 1 6.706 0.000 . 1 . . . . . 124 HIS HD2 . 50771 1 952 . 1 . 1 91 91 HIS C C 13 173.012 0.000 . 1 . . . . . 124 HIS C . 50771 1 953 . 1 . 1 91 91 HIS CA C 13 55.603 0.038 . 1 . . . . . 124 HIS CA . 50771 1 954 . 1 . 1 91 91 HIS CB C 13 31.074 0.038 . 1 . . . . . 124 HIS CB . 50771 1 955 . 1 . 1 91 91 HIS CD2 C 13 119.482 0.000 . 1 . . . . . 124 HIS CD2 . 50771 1 956 . 1 . 1 91 91 HIS N N 15 115.882 0.042 . 1 . . . . . 124 HIS N . 50771 1 957 . 1 . 1 92 92 GLU H H 1 7.910 0.003 . 1 . . . . . 125 GLU H . 50771 1 958 . 1 . 1 92 92 GLU HA H 1 4.385 0.000 . 1 . . . . . 125 GLU HA . 50771 1 959 . 1 . 1 92 92 GLU HB2 H 1 2.307 0.000 . 2 . . . . . 125 GLU HB2 . 50771 1 960 . 1 . 1 92 92 GLU HB3 H 1 2.194 0.000 . 2 . . . . . 125 GLU HB3 . 50771 1 961 . 1 . 1 92 92 GLU HG2 H 1 2.205 0.000 . 2 . . . . . 125 GLU HG2 . 50771 1 962 . 1 . 1 92 92 GLU HG3 H 1 2.065 0.000 . 2 . . . . . 125 GLU HG3 . 50771 1 963 . 1 . 1 92 92 GLU C C 13 177.353 0.000 . 1 . . . . . 125 GLU C . 50771 1 964 . 1 . 1 92 92 GLU CA C 13 55.521 0.072 . 1 . . . . . 125 GLU CA . 50771 1 965 . 1 . 1 92 92 GLU CB C 13 31.397 0.040 . 1 . . . . . 125 GLU CB . 50771 1 966 . 1 . 1 92 92 GLU CG C 13 35.076 0.006 . 1 . . . . . 125 GLU CG . 50771 1 967 . 1 . 1 92 92 GLU N N 15 120.242 0.025 . 1 . . . . . 125 GLU N . 50771 1 968 . 1 . 1 93 93 ASP H H 1 8.943 0.003 . 1 . . . . . 126 ASP H . 50771 1 969 . 1 . 1 93 93 ASP HA H 1 4.487 0.003 . 1 . . . . . 126 ASP HA . 50771 1 970 . 1 . 1 93 93 ASP HB2 H 1 2.655 0.000 . 1 . . . . . 126 ASP HB2 . 50771 1 971 . 1 . 1 93 93 ASP HB3 H 1 2.655 0.000 . 1 . . . . . 126 ASP HB3 . 50771 1 972 . 1 . 1 93 93 ASP C C 13 176.912 0.000 . 1 . . . . . 126 ASP C . 50771 1 973 . 1 . 1 93 93 ASP CA C 13 57.053 0.077 . 1 . . . . . 126 ASP CA . 50771 1 974 . 1 . 1 93 93 ASP CB C 13 40.578 0.043 . 1 . . . . . 126 ASP CB . 50771 1 975 . 1 . 1 93 93 ASP N N 15 124.063 0.015 . 1 . . . . . 126 ASP N . 50771 1 976 . 1 . 1 94 94 GLY H H 1 8.706 0.001 . 1 . . . . . 127 GLY H . 50771 1 977 . 1 . 1 94 94 GLY HA2 H 1 4.137 0.000 . 2 . . . . . 127 GLY HA2 . 50771 1 978 . 1 . 1 94 94 GLY HA3 H 1 3.662 0.000 . 2 . . . . . 127 GLY HA3 . 50771 1 979 . 1 . 1 94 94 GLY C C 13 174.304 0.000 . 1 . . . . . 127 GLY C . 50771 1 980 . 1 . 1 94 94 GLY CA C 13 44.882 0.359 . 1 . . . . . 127 GLY CA . 50771 1 981 . 1 . 1 94 94 GLY N N 15 112.538 0.026 . 1 . . . . . 127 GLY N . 50771 1 982 . 1 . 1 95 95 ALA H H 1 7.999 0.007 . 1 . . . . . 128 ALA H . 50771 1 983 . 1 . 1 95 95 ALA HA H 1 4.679 0.000 . 1 . . . . . 128 ALA HA . 50771 1 984 . 1 . 1 95 95 ALA HB1 H 1 1.552 0.000 . 1 . . . . . 128 ALA HB1 . 50771 1 985 . 1 . 1 95 95 ALA HB2 H 1 1.552 0.000 . 1 . . . . . 128 ALA HB2 . 50771 1 986 . 1 . 1 95 95 ALA HB3 H 1 1.552 0.000 . 1 . . . . . 128 ALA HB3 . 50771 1 987 . 1 . 1 95 95 ALA C C 13 178.603 0.000 . 1 . . . . . 128 ALA C . 50771 1 988 . 1 . 1 95 95 ALA CA C 13 52.981 0.136 . 1 . . . . . 128 ALA CA . 50771 1 989 . 1 . 1 95 95 ALA CB C 13 52.994 0.000 . 1 . . . . . 128 ALA CB . 50771 1 990 . 1 . 1 95 95 ALA N N 15 123.343 0.040 . 1 . . . . . 128 ALA N . 50771 1 991 . 1 . 1 96 96 THR H H 1 8.217 0.004 . 1 . . . . . 129 THR H . 50771 1 992 . 1 . 1 96 96 THR HA H 1 4.544 0.000 . 1 . . . . . 129 THR HA . 50771 1 993 . 1 . 1 96 96 THR HB H 1 4.402 0.000 . 1 . . . . . 129 THR HB . 50771 1 994 . 1 . 1 96 96 THR HG21 H 1 1.247 0.000 . 1 . . . . . 129 THR HG21 . 50771 1 995 . 1 . 1 96 96 THR HG22 H 1 1.247 0.000 . 1 . . . . . 129 THR HG22 . 50771 1 996 . 1 . 1 96 96 THR HG23 H 1 1.247 0.000 . 1 . . . . . 129 THR HG23 . 50771 1 997 . 1 . 1 96 96 THR C C 13 173.869 0.000 . 1 . . . . . 129 THR C . 50771 1 998 . 1 . 1 96 96 THR CA C 13 60.016 0.067 . 1 . . . . . 129 THR CA . 50771 1 999 . 1 . 1 96 96 THR CB C 13 70.474 0.043 . 1 . . . . . 129 THR CB . 50771 1 1000 . 1 . 1 96 96 THR CG2 C 13 21.035 0.000 . 1 . . . . . 129 THR CG2 . 50771 1 1001 . 1 . 1 96 96 THR N N 15 112.628 0.051 . 1 . . . . . 129 THR N . 50771 1 1002 . 1 . 1 97 97 ASP H H 1 8.132 0.002 . 1 . . . . . 130 ASP H . 50771 1 1003 . 1 . 1 97 97 ASP HA H 1 3.646 0.016 . 1 . . . . . 130 ASP HA . 50771 1 1004 . 1 . 1 97 97 ASP HB2 H 1 2.709 0.026 . 2 . . . . . 130 ASP HB2 . 50771 1 1005 . 1 . 1 97 97 ASP HB3 H 1 2.276 0.022 . 2 . . . . . 130 ASP HB3 . 50771 1 1006 . 1 . 1 97 97 ASP C C 13 174.896 0.000 . 1 . . . . . 130 ASP C . 50771 1 1007 . 1 . 1 97 97 ASP CA C 13 52.851 0.026 . 1 . . . . . 130 ASP CA . 50771 1 1008 . 1 . 1 97 97 ASP CB C 13 40.296 0.018 . 1 . . . . . 130 ASP CB . 50771 1 1009 . 1 . 1 97 97 ASP N N 15 118.306 0.041 . 1 . . . . . 130 ASP N . 50771 1 1010 . 1 . 1 98 98 ALA H H 1 7.413 0.003 . 1 . . . . . 131 ALA H . 50771 1 1011 . 1 . 1 98 98 ALA HA H 1 4.394 0.000 . 1 . . . . . 131 ALA HA . 50771 1 1012 . 1 . 1 98 98 ALA HB1 H 1 1.281 0.000 . 1 . . . . . 131 ALA HB1 . 50771 1 1013 . 1 . 1 98 98 ALA HB2 H 1 1.281 0.000 . 1 . . . . . 131 ALA HB2 . 50771 1 1014 . 1 . 1 98 98 ALA HB3 H 1 1.281 0.000 . 1 . . . . . 131 ALA HB3 . 50771 1 1015 . 1 . 1 98 98 ALA CA C 13 51.059 0.045 . 1 . . . . . 131 ALA CA . 50771 1 1016 . 1 . 1 98 98 ALA CB C 13 18.274 0.030 . 1 . . . . . 131 ALA CB . 50771 1 1017 . 1 . 1 98 98 ALA N N 15 122.586 0.033 . 1 . . . . . 131 ALA N . 50771 1 1018 . 1 . 1 99 99 PRO HA H 1 4.061 0.000 . 1 . . . . . 132 PRO HA . 50771 1 1019 . 1 . 1 99 99 PRO HB2 H 1 2.395 0.000 . 2 . . . . . 132 PRO HB2 . 50771 1 1020 . 1 . 1 99 99 PRO HB3 H 1 2.007 0.000 . 2 . . . . . 132 PRO HB3 . 50771 1 1021 . 1 . 1 99 99 PRO HG2 H 1 2.009 0.000 . 2 . . . . . 132 PRO HG2 . 50771 1 1022 . 1 . 1 99 99 PRO HG3 H 1 2.105 0.000 . 2 . . . . . 132 PRO HG3 . 50771 1 1023 . 1 . 1 99 99 PRO C C 13 176.552 0.000 . 1 . . . . . 132 PRO C . 50771 1 1024 . 1 . 1 99 99 PRO CA C 13 62.710 0.044 . 1 . . . . . 132 PRO CA . 50771 1 1025 . 1 . 1 99 99 PRO CB C 13 32.150 0.020 . 1 . . . . . 132 PRO CB . 50771 1 1026 . 1 . 1 99 99 PRO CG C 13 27.665 0.009 . 1 . . . . . 132 PRO CG . 50771 1 1027 . 1 . 1 100 100 SER H H 1 8.551 0.003 . 1 . . . . . 133 SER H . 50771 1 1028 . 1 . 1 100 100 SER HA H 1 4.283 0.002 . 1 . . . . . 133 SER HA . 50771 1 1029 . 1 . 1 100 100 SER HB2 H 1 3.690 0.013 . 1 . . . . . 133 SER HB2 . 50771 1 1030 . 1 . 1 100 100 SER HB3 H 1 3.690 0.013 . 1 . . . . . 133 SER HB3 . 50771 1 1031 . 1 . 1 100 100 SER C C 13 176.997 0.000 . 1 . . . . . 133 SER C . 50771 1 1032 . 1 . 1 100 100 SER CA C 13 57.848 0.131 . 1 . . . . . 133 SER CA . 50771 1 1033 . 1 . 1 100 100 SER CB C 13 65.901 0.053 . 1 . . . . . 133 SER CB . 50771 1 1034 . 1 . 1 100 100 SER N N 15 115.355 0.024 . 1 . . . . . 133 SER N . 50771 1 1035 . 1 . 1 101 101 THR H H 1 8.572 0.003 . 1 . . . . . 134 THR H . 50771 1 1036 . 1 . 1 101 101 THR HA H 1 4.505 0.000 . 1 . . . . . 134 THR HA . 50771 1 1037 . 1 . 1 101 101 THR HB H 1 4.458 0.000 . 1 . . . . . 134 THR HB . 50771 1 1038 . 1 . 1 101 101 THR C C 13 176.226 0.000 . 1 . . . . . 134 THR C . 50771 1 1039 . 1 . 1 101 101 THR CA C 13 61.866 0.140 . 1 . . . . . 134 THR CA . 50771 1 1040 . 1 . 1 101 101 THR CB C 13 68.756 0.088 . 1 . . . . . 134 THR CB . 50771 1 1041 . 1 . 1 101 101 THR N N 15 116.349 0.070 . 1 . . . . . 134 THR N . 50771 1 1042 . 1 . 1 102 102 PHE H H 1 8.494 0.008 . 1 . . . . . 135 PHE H . 50771 1 1043 . 1 . 1 102 102 PHE HA H 1 4.530 0.000 . 1 . . . . . 135 PHE HA . 50771 1 1044 . 1 . 1 102 102 PHE HB2 H 1 2.964 0.000 . 2 . . . . . 135 PHE HB2 . 50771 1 1045 . 1 . 1 102 102 PHE HB3 H 1 2.687 0.000 . 2 . . . . . 135 PHE HB3 . 50771 1 1046 . 1 . 1 102 102 PHE HD1 H 1 6.219 0.000 . 1 . . . . . 135 PHE HD1 . 50771 1 1047 . 1 . 1 102 102 PHE HD2 H 1 6.219 0.000 . 1 . . . . . 135 PHE HD2 . 50771 1 1048 . 1 . 1 102 102 PHE HE1 H 1 6.906 0.000 . 1 . . . . . 135 PHE HE1 . 50771 1 1049 . 1 . 1 102 102 PHE HE2 H 1 6.906 0.000 . 1 . . . . . 135 PHE HE2 . 50771 1 1050 . 1 . 1 102 102 PHE C C 13 177.972 0.000 . 1 . . . . . 135 PHE C . 50771 1 1051 . 1 . 1 102 102 PHE CA C 13 57.860 0.095 . 1 . . . . . 135 PHE CA . 50771 1 1052 . 1 . 1 102 102 PHE CB C 13 39.157 0.075 . 1 . . . . . 135 PHE CB . 50771 1 1053 . 1 . 1 102 102 PHE CD1 C 13 130.122 0.000 . 1 . . . . . 135 PHE CD1 . 50771 1 1054 . 1 . 1 102 102 PHE CD2 C 13 130.122 0.000 . 1 . . . . . 135 PHE CD2 . 50771 1 1055 . 1 . 1 102 102 PHE CE1 C 13 132.600 0.000 . 1 . . . . . 135 PHE CE1 . 50771 1 1056 . 1 . 1 102 102 PHE CE2 C 13 132.600 0.000 . 1 . . . . . 135 PHE CE2 . 50771 1 1057 . 1 . 1 102 102 PHE N N 15 120.574 0.049 . 1 . . . . . 135 PHE N . 50771 1 1058 . 1 . 1 103 103 GLY H H 1 8.142 0.003 . 1 . . . . . 136 GLY H . 50771 1 1059 . 1 . 1 103 103 GLY HA2 H 1 4.376 0.010 . 2 . . . . . 136 GLY HA2 . 50771 1 1060 . 1 . 1 103 103 GLY HA3 H 1 4.143 0.003 . 2 . . . . . 136 GLY HA3 . 50771 1 1061 . 1 . 1 103 103 GLY C C 13 173.129 0.000 . 1 . . . . . 136 GLY C . 50771 1 1062 . 1 . 1 103 103 GLY CA C 13 45.667 0.052 . 1 . . . . . 136 GLY CA . 50771 1 1063 . 1 . 1 103 103 GLY N N 15 106.869 0.053 . 1 . . . . . 136 GLY N . 50771 1 1064 . 1 . 1 104 104 THR H H 1 8.205 0.003 . 1 . . . . . 137 THR H . 50771 1 1065 . 1 . 1 104 104 THR HA H 1 4.508 0.000 . 1 . . . . . 137 THR HA . 50771 1 1066 . 1 . 1 104 104 THR HB H 1 4.730 0.000 . 1 . . . . . 137 THR HB . 50771 1 1067 . 1 . 1 104 104 THR C C 13 172.225 0.000 . 1 . . . . . 137 THR C . 50771 1 1068 . 1 . 1 104 104 THR CA C 13 60.197 0.030 . 1 . . . . . 137 THR CA . 50771 1 1069 . 1 . 1 104 104 THR CB C 13 69.434 0.064 . 1 . . . . . 137 THR CB . 50771 1 1070 . 1 . 1 104 104 THR N N 15 110.919 0.041 . 1 . . . . . 137 THR N . 50771 1 1071 . 1 . 1 105 105 ARG H H 1 7.206 0.005 . 1 . . . . . 138 ARG H . 50771 1 1072 . 1 . 1 105 105 ARG HA H 1 2.750 0.000 . 1 . . . . . 138 ARG HA . 50771 1 1073 . 1 . 1 105 105 ARG HB2 H 1 0.800 0.000 . 2 . . . . . 138 ARG HB2 . 50771 1 1074 . 1 . 1 105 105 ARG HB3 H 1 -0.191 0.000 . 2 . . . . . 138 ARG HB3 . 50771 1 1075 . 1 . 1 105 105 ARG HG2 H 1 0.646 0.000 . 2 . . . . . 138 ARG HG2 . 50771 1 1076 . 1 . 1 105 105 ARG HG3 H 1 0.146 0.000 . 2 . . . . . 138 ARG HG3 . 50771 1 1077 . 1 . 1 105 105 ARG C C 13 174.416 0.000 . 1 . . . . . 138 ARG C . 50771 1 1078 . 1 . 1 105 105 ARG CA C 13 55.431 0.042 . 1 . . . . . 138 ARG CA . 50771 1 1079 . 1 . 1 105 105 ARG CB C 13 32.597 0.066 . 1 . . . . . 138 ARG CB . 50771 1 1080 . 1 . 1 105 105 ARG CG C 13 28.018 0.019 . 1 . . . . . 138 ARG CG . 50771 1 1081 . 1 . 1 105 105 ARG N N 15 120.305 0.028 . 1 . . . . . 138 ARG N . 50771 1 1082 . 1 . 1 106 106 ASN H H 1 9.073 0.003 . 1 . . . . . 139 ASN H . 50771 1 1083 . 1 . 1 106 106 ASN HA H 1 5.047 0.000 . 1 . . . . . 139 ASN HA . 50771 1 1084 . 1 . 1 106 106 ASN HB2 H 1 3.245 0.000 . 2 . . . . . 139 ASN HB2 . 50771 1 1085 . 1 . 1 106 106 ASN HB3 H 1 2.707 0.000 . 2 . . . . . 139 ASN HB3 . 50771 1 1086 . 1 . 1 106 106 ASN HD21 H 1 7.706 0.000 . 1 . . . . . 139 ASN HD21 . 50771 1 1087 . 1 . 1 106 106 ASN HD22 H 1 7.159 0.000 . 1 . . . . . 139 ASN HD22 . 50771 1 1088 . 1 . 1 106 106 ASN CA C 13 49.123 0.013 . 1 . . . . . 139 ASN CA . 50771 1 1089 . 1 . 1 106 106 ASN CB C 13 38.584 0.061 . 1 . . . . . 139 ASN CB . 50771 1 1090 . 1 . 1 106 106 ASN N N 15 125.054 0.026 . 1 . . . . . 139 ASN N . 50771 1 1091 . 1 . 1 106 106 ASN ND2 N 15 112.358 0.010 . 1 . . . . . 139 ASN ND2 . 50771 1 1092 . 1 . 1 107 107 PRO HA H 1 4.462 0.000 . 1 . . . . . 140 PRO HA . 50771 1 1093 . 1 . 1 107 107 PRO HB2 H 1 1.996 0.000 . 2 . . . . . 140 PRO HB2 . 50771 1 1094 . 1 . 1 107 107 PRO HB3 H 1 2.271 0.000 . 2 . . . . . 140 PRO HB3 . 50771 1 1095 . 1 . 1 107 107 PRO HG2 H 1 1.995 0.000 . 1 . . . . . 140 PRO HG2 . 50771 1 1096 . 1 . 1 107 107 PRO HG3 H 1 1.995 0.000 . 1 . . . . . 140 PRO HG3 . 50771 1 1097 . 1 . 1 107 107 PRO HD2 H 1 3.613 0.000 . 2 . . . . . 140 PRO HD2 . 50771 1 1098 . 1 . 1 107 107 PRO HD3 H 1 3.774 0.000 . 2 . . . . . 140 PRO HD3 . 50771 1 1099 . 1 . 1 107 107 PRO C C 13 176.834 0.000 . 1 . . . . . 140 PRO C . 50771 1 1100 . 1 . 1 107 107 PRO CA C 13 63.667 0.057 . 1 . . . . . 140 PRO CA . 50771 1 1101 . 1 . 1 107 107 PRO CB C 13 32.126 0.006 . 1 . . . . . 140 PRO CB . 50771 1 1102 . 1 . 1 107 107 PRO CG C 13 27.087 0.000 . 1 . . . . . 140 PRO CG . 50771 1 1103 . 1 . 1 107 107 PRO CD C 13 50.795 0.010 . 1 . . . . . 140 PRO CD . 50771 1 1104 . 1 . 1 108 108 ASN H H 1 8.019 0.001 . 1 . . . . . 141 ASN H . 50771 1 1105 . 1 . 1 108 108 ASN HA H 1 4.489 0.000 . 1 . . . . . 141 ASN HA . 50771 1 1106 . 1 . 1 108 108 ASN HB2 H 1 2.711 0.000 . 2 . . . . . 141 ASN HB2 . 50771 1 1107 . 1 . 1 108 108 ASN HB3 H 1 2.594 0.000 . 2 . . . . . 141 ASN HB3 . 50771 1 1108 . 1 . 1 108 108 ASN C C 13 174.938 0.000 . 1 . . . . . 141 ASN C . 50771 1 1109 . 1 . 1 108 108 ASN CA C 13 54.711 0.052 . 1 . . . . . 141 ASN CA . 50771 1 1110 . 1 . 1 108 108 ASN CB C 13 38.480 0.057 . 1 . . . . . 141 ASN CB . 50771 1 1111 . 1 . 1 108 108 ASN N N 15 115.689 0.029 . 1 . . . . . 141 ASN N . 50771 1 1112 . 1 . 1 109 109 ASN H H 1 7.621 0.002 . 1 . . . . . 142 ASN H . 50771 1 1113 . 1 . 1 109 109 ASN HA H 1 4.836 0.000 . 1 . . . . . 142 ASN HA . 50771 1 1114 . 1 . 1 109 109 ASN HB2 H 1 2.892 0.000 . 2 . . . . . 142 ASN HB2 . 50771 1 1115 . 1 . 1 109 109 ASN HB3 H 1 2.625 0.000 . 2 . . . . . 142 ASN HB3 . 50771 1 1116 . 1 . 1 109 109 ASN HD21 H 1 7.638 0.000 . 1 . . . . . 142 ASN HD21 . 50771 1 1117 . 1 . 1 109 109 ASN HD22 H 1 6.803 0.000 . 1 . . . . . 142 ASN HD22 . 50771 1 1118 . 1 . 1 109 109 ASN C C 13 174.098 0.000 . 1 . . . . . 142 ASN C . 50771 1 1119 . 1 . 1 109 109 ASN CA C 13 53.683 0.063 . 1 . . . . . 142 ASN CA . 50771 1 1120 . 1 . 1 109 109 ASN CB C 13 41.213 0.038 . 1 . . . . . 142 ASN CB . 50771 1 1121 . 1 . 1 109 109 ASN N N 15 115.550 0.039 . 1 . . . . . 142 ASN N . 50771 1 1122 . 1 . 1 109 109 ASN ND2 N 15 111.562 0.010 . 1 . . . . . 142 ASN ND2 . 50771 1 1123 . 1 . 1 110 110 ASP H H 1 7.939 0.002 . 1 . . . . . 143 ASP H . 50771 1 1124 . 1 . 1 110 110 ASP HA H 1 5.170 0.026 . 1 . . . . . 143 ASP HA . 50771 1 1125 . 1 . 1 110 110 ASP HB2 H 1 2.701 0.021 . 2 . . . . . 143 ASP HB2 . 50771 1 1126 . 1 . 1 110 110 ASP HB3 H 1 2.277 0.015 . 2 . . . . . 143 ASP HB3 . 50771 1 1127 . 1 . 1 110 110 ASP C C 13 175.427 0.000 . 1 . . . . . 143 ASP C . 50771 1 1128 . 1 . 1 110 110 ASP CA C 13 53.882 0.031 . 1 . . . . . 143 ASP CA . 50771 1 1129 . 1 . 1 110 110 ASP CB C 13 45.726 0.029 . 1 . . . . . 143 ASP CB . 50771 1 1130 . 1 . 1 110 110 ASP N N 15 117.829 0.025 . 1 . . . . . 143 ASP N . 50771 1 1131 . 1 . 1 111 111 SER H H 1 8.648 0.003 . 1 . . . . . 144 SER H . 50771 1 1132 . 1 . 1 111 111 SER HA H 1 4.404 0.008 . 1 . . . . . 144 SER HA . 50771 1 1133 . 1 . 1 111 111 SER HB2 H 1 3.923 0.003 . 2 . . . . . 144 SER HB2 . 50771 1 1134 . 1 . 1 111 111 SER HB3 H 1 3.820 0.004 . 2 . . . . . 144 SER HB3 . 50771 1 1135 . 1 . 1 111 111 SER C C 13 173.674 0.000 . 1 . . . . . 144 SER C . 50771 1 1136 . 1 . 1 111 111 SER CA C 13 57.953 0.099 . 1 . . . . . 144 SER CA . 50771 1 1137 . 1 . 1 111 111 SER CB C 13 64.083 0.039 . 1 . . . . . 144 SER CB . 50771 1 1138 . 1 . 1 111 111 SER N N 15 118.712 0.019 . 1 . . . . . 144 SER N . 50771 1 1139 . 1 . 1 112 112 ALA H H 1 8.518 0.003 . 1 . . . . . 145 ALA H . 50771 1 1140 . 1 . 1 112 112 ALA HA H 1 3.912 0.030 . 1 . . . . . 145 ALA HA . 50771 1 1141 . 1 . 1 112 112 ALA HB1 H 1 1.122 0.036 . 1 . . . . . 145 ALA HB1 . 50771 1 1142 . 1 . 1 112 112 ALA HB2 H 1 1.122 0.036 . 1 . . . . . 145 ALA HB2 . 50771 1 1143 . 1 . 1 112 112 ALA HB3 H 1 1.122 0.036 . 1 . . . . . 145 ALA HB3 . 50771 1 1144 . 1 . 1 112 112 ALA C C 13 177.413 0.000 . 1 . . . . . 145 ALA C . 50771 1 1145 . 1 . 1 112 112 ALA CA C 13 52.853 0.041 . 1 . . . . . 145 ALA CA . 50771 1 1146 . 1 . 1 112 112 ALA CB C 13 18.954 0.049 . 1 . . . . . 145 ALA CB . 50771 1 1147 . 1 . 1 112 112 ALA N N 15 124.341 0.034 . 1 . . . . . 145 ALA N . 50771 1 1148 . 1 . 1 113 113 ILE H H 1 9.252 0.003 . 1 . . . . . 146 ILE H . 50771 1 1149 . 1 . 1 113 113 ILE HA H 1 3.929 0.000 . 1 . . . . . 146 ILE HA . 50771 1 1150 . 1 . 1 113 113 ILE HB H 1 1.740 0.000 . 1 . . . . . 146 ILE HB . 50771 1 1151 . 1 . 1 113 113 ILE HG12 H 1 1.008 0.000 . 2 . . . . . 146 ILE HG12 . 50771 1 1152 . 1 . 1 113 113 ILE HG13 H 1 1.813 0.000 . 2 . . . . . 146 ILE HG13 . 50771 1 1153 . 1 . 1 113 113 ILE HG21 H 1 1.028 0.000 . 1 . . . . . 146 ILE HG21 . 50771 1 1154 . 1 . 1 113 113 ILE HG22 H 1 1.028 0.000 . 1 . . . . . 146 ILE HG22 . 50771 1 1155 . 1 . 1 113 113 ILE HG23 H 1 1.028 0.000 . 1 . . . . . 146 ILE HG23 . 50771 1 1156 . 1 . 1 113 113 ILE HD11 H 1 0.671 0.000 . 1 . . . . . 146 ILE HD11 . 50771 1 1157 . 1 . 1 113 113 ILE HD12 H 1 0.671 0.000 . 1 . . . . . 146 ILE HD12 . 50771 1 1158 . 1 . 1 113 113 ILE HD13 H 1 0.671 0.000 . 1 . . . . . 146 ILE HD13 . 50771 1 1159 . 1 . 1 113 113 ILE C C 13 176.237 0.000 . 1 . . . . . 146 ILE C . 50771 1 1160 . 1 . 1 113 113 ILE CA C 13 61.182 0.043 . 1 . . . . . 146 ILE CA . 50771 1 1161 . 1 . 1 113 113 ILE CB C 13 38.828 0.051 . 1 . . . . . 146 ILE CB . 50771 1 1162 . 1 . 1 113 113 ILE CG1 C 13 28.271 0.002 . 1 . . . . . 146 ILE CG1 . 50771 1 1163 . 1 . 1 113 113 ILE CG2 C 13 17.383 0.000 . 1 . . . . . 146 ILE CG2 . 50771 1 1164 . 1 . 1 113 113 ILE CD1 C 13 13.985 0.000 . 1 . . . . . 146 ILE CD1 . 50771 1 1165 . 1 . 1 113 113 ILE N N 15 126.827 0.029 . 1 . . . . . 146 ILE N . 50771 1 1166 . 1 . 1 114 114 VAL H H 1 8.513 0.002 . 1 . . . . . 147 VAL H . 50771 1 1167 . 1 . 1 114 114 VAL HA H 1 4.026 0.000 . 1 . . . . . 147 VAL HA . 50771 1 1168 . 1 . 1 114 114 VAL HB H 1 1.907 0.000 . 1 . . . . . 147 VAL HB . 50771 1 1169 . 1 . 1 114 114 VAL HG11 H 1 1.071 0.000 . 2 . . . . . 147 VAL HG11 . 50771 1 1170 . 1 . 1 114 114 VAL HG12 H 1 1.071 0.000 . 2 . . . . . 147 VAL HG12 . 50771 1 1171 . 1 . 1 114 114 VAL HG13 H 1 1.071 0.000 . 2 . . . . . 147 VAL HG13 . 50771 1 1172 . 1 . 1 114 114 VAL HG21 H 1 0.858 0.000 . 2 . . . . . 147 VAL HG21 . 50771 1 1173 . 1 . 1 114 114 VAL HG22 H 1 0.858 0.000 . 2 . . . . . 147 VAL HG22 . 50771 1 1174 . 1 . 1 114 114 VAL HG23 H 1 0.858 0.000 . 2 . . . . . 147 VAL HG23 . 50771 1 1175 . 1 . 1 114 114 VAL C C 13 177.204 0.000 . 1 . . . . . 147 VAL C . 50771 1 1176 . 1 . 1 114 114 VAL CA C 13 63.991 0.031 . 1 . . . . . 147 VAL CA . 50771 1 1177 . 1 . 1 114 114 VAL CB C 13 31.272 0.074 . 1 . . . . . 147 VAL CB . 50771 1 1178 . 1 . 1 114 114 VAL CG1 C 13 22.563 0.000 . 2 . . . . . 147 VAL CG1 . 50771 1 1179 . 1 . 1 114 114 VAL CG2 C 13 20.999 0.000 . 2 . . . . . 147 VAL CG2 . 50771 1 1180 . 1 . 1 114 114 VAL N N 15 127.834 0.037 . 1 . . . . . 147 VAL N . 50771 1 1181 . 1 . 1 115 115 THR H H 1 8.152 0.002 . 1 . . . . . 148 THR H . 50771 1 1182 . 1 . 1 115 115 THR HA H 1 3.533 0.000 . 1 . . . . . 148 THR HA . 50771 1 1183 . 1 . 1 115 115 THR HB H 1 3.668 0.000 . 1 . . . . . 148 THR HB . 50771 1 1184 . 1 . 1 115 115 THR C C 13 176.394 0.000 . 1 . . . . . 148 THR C . 50771 1 1185 . 1 . 1 115 115 THR CA C 13 65.965 0.112 . 1 . . . . . 148 THR CA . 50771 1 1186 . 1 . 1 115 115 THR CB C 13 68.077 0.041 . 1 . . . . . 148 THR CB . 50771 1 1187 . 1 . 1 115 115 THR N N 15 130.628 0.041 . 1 . . . . . 148 THR N . 50771 1 1188 . 1 . 1 116 116 GLN H H 1 8.303 0.003 . 1 . . . . . 149 GLN H . 50771 1 1189 . 1 . 1 116 116 GLN HA H 1 4.191 0.000 . 1 . . . . . 149 GLN HA . 50771 1 1190 . 1 . 1 116 116 GLN HB2 H 1 1.884 0.000 . 2 . . . . . 149 GLN HB2 . 50771 1 1191 . 1 . 1 116 116 GLN HB3 H 1 1.734 0.000 . 2 . . . . . 149 GLN HB3 . 50771 1 1192 . 1 . 1 116 116 GLN HG2 H 1 2.218 0.000 . 1 . . . . . 149 GLN HG2 . 50771 1 1193 . 1 . 1 116 116 GLN HG3 H 1 2.218 0.000 . 1 . . . . . 149 GLN HG3 . 50771 1 1194 . 1 . 1 116 116 GLN HE21 H 1 7.724 0.000 . 1 . . . . . 149 GLN HE21 . 50771 1 1195 . 1 . 1 116 116 GLN HE22 H 1 6.812 0.000 . 1 . . . . . 149 GLN HE22 . 50771 1 1196 . 1 . 1 116 116 GLN C C 13 172.930 0.000 . 1 . . . . . 149 GLN C . 50771 1 1197 . 1 . 1 116 116 GLN CA C 13 53.754 0.078 . 1 . . . . . 149 GLN CA . 50771 1 1198 . 1 . 1 116 116 GLN CB C 13 33.318 0.100 . 1 . . . . . 149 GLN CB . 50771 1 1199 . 1 . 1 116 116 GLN CG C 13 34.186 0.000 . 1 . . . . . 149 GLN CG . 50771 1 1200 . 1 . 1 116 116 GLN N N 15 125.729 0.022 . 1 . . . . . 149 GLN N . 50771 1 1201 . 1 . 1 116 116 GLN NE2 N 15 112.650 0.005 . 1 . . . . . 149 GLN NE2 . 50771 1 1202 . 1 . 1 117 117 PHE H H 1 8.399 0.002 . 1 . . . . . 150 PHE H . 50771 1 1203 . 1 . 1 117 117 PHE HA H 1 4.991 0.000 . 1 . . . . . 150 PHE HA . 50771 1 1204 . 1 . 1 117 117 PHE HB2 H 1 3.325 0.000 . 2 . . . . . 150 PHE HB2 . 50771 1 1205 . 1 . 1 117 117 PHE HB3 H 1 2.510 0.000 . 2 . . . . . 150 PHE HB3 . 50771 1 1206 . 1 . 1 117 117 PHE HD1 H 1 6.919 0.000 . 1 . . . . . 150 PHE HD1 . 50771 1 1207 . 1 . 1 117 117 PHE HD2 H 1 6.919 0.000 . 1 . . . . . 150 PHE HD2 . 50771 1 1208 . 1 . 1 117 117 PHE HE1 H 1 6.821 0.000 . 1 . . . . . 150 PHE HE1 . 50771 1 1209 . 1 . 1 117 117 PHE HE2 H 1 6.821 0.000 . 1 . . . . . 150 PHE HE2 . 50771 1 1210 . 1 . 1 117 117 PHE C C 13 175.672 0.000 . 1 . . . . . 150 PHE C . 50771 1 1211 . 1 . 1 117 117 PHE CA C 13 55.329 0.064 . 1 . . . . . 150 PHE CA . 50771 1 1212 . 1 . 1 117 117 PHE CB C 13 42.495 0.022 . 1 . . . . . 150 PHE CB . 50771 1 1213 . 1 . 1 117 117 PHE CD1 C 13 131.463 0.000 . 1 . . . . . 150 PHE CD1 . 50771 1 1214 . 1 . 1 117 117 PHE CD2 C 13 131.463 0.000 . 1 . . . . . 150 PHE CD2 . 50771 1 1215 . 1 . 1 117 117 PHE CE1 C 13 130.766 0.000 . 1 . . . . . 150 PHE CE1 . 50771 1 1216 . 1 . 1 117 117 PHE CE2 C 13 130.766 0.000 . 1 . . . . . 150 PHE CE2 . 50771 1 1217 . 1 . 1 117 117 PHE N N 15 117.401 0.185 . 1 . . . . . 150 PHE N . 50771 1 1218 . 1 . 1 118 118 ALA H H 1 8.585 0.004 . 1 . . . . . 151 ALA H . 50771 1 1219 . 1 . 1 118 118 ALA HA H 1 4.349 0.000 . 1 . . . . . 151 ALA HA . 50771 1 1220 . 1 . 1 118 118 ALA HB1 H 1 1.356 0.000 . 1 . . . . . 151 ALA HB1 . 50771 1 1221 . 1 . 1 118 118 ALA HB2 H 1 1.356 0.000 . 1 . . . . . 151 ALA HB2 . 50771 1 1222 . 1 . 1 118 118 ALA HB3 H 1 1.356 0.000 . 1 . . . . . 151 ALA HB3 . 50771 1 1223 . 1 . 1 118 118 ALA CA C 13 51.004 0.017 . 1 . . . . . 151 ALA CA . 50771 1 1224 . 1 . 1 118 118 ALA CB C 13 17.133 0.008 . 1 . . . . . 151 ALA CB . 50771 1 1225 . 1 . 1 118 118 ALA N N 15 123.075 0.039 . 1 . . . . . 151 ALA N . 50771 1 1226 . 1 . 1 119 119 PRO C C 13 176.992 0.000 . 1 . . . . . 152 PRO C . 50771 1 1227 . 1 . 1 119 119 PRO CA C 13 63.498 0.000 . 1 . . . . . 152 PRO CA . 50771 1 1228 . 1 . 1 119 119 PRO CB C 13 32.164 0.000 . 1 . . . . . 152 PRO CB . 50771 1 1229 . 1 . 1 120 120 GLY H H 1 8.172 0.003 . 1 . . . . . 153 GLY H . 50771 1 1230 . 1 . 1 120 120 GLY HA2 H 1 4.204 0.027 . 2 . . . . . 153 GLY HA2 . 50771 1 1231 . 1 . 1 120 120 GLY HA3 H 1 3.625 0.012 . 2 . . . . . 153 GLY HA3 . 50771 1 1232 . 1 . 1 120 120 GLY C C 13 174.627 0.000 . 1 . . . . . 153 GLY C . 50771 1 1233 . 1 . 1 120 120 GLY CA C 13 44.753 0.169 . 1 . . . . . 153 GLY CA . 50771 1 1234 . 1 . 1 120 120 GLY N N 15 108.876 0.020 . 1 . . . . . 153 GLY N . 50771 1 1235 . 1 . 1 121 121 THR H H 1 7.528 0.003 . 1 . . . . . 154 THR H . 50771 1 1236 . 1 . 1 121 121 THR HA H 1 3.821 0.000 . 1 . . . . . 154 THR HA . 50771 1 1237 . 1 . 1 121 121 THR HB H 1 3.827 0.000 . 1 . . . . . 154 THR HB . 50771 1 1238 . 1 . 1 121 121 THR C C 13 174.142 0.000 . 1 . . . . . 154 THR C . 50771 1 1239 . 1 . 1 121 121 THR CA C 13 64.259 0.047 . 1 . . . . . 154 THR CA . 50771 1 1240 . 1 . 1 121 121 THR CB C 13 68.993 0.081 . 1 . . . . . 154 THR CB . 50771 1 1241 . 1 . 1 121 121 THR N N 15 117.877 0.125 . 1 . . . . . 154 THR N . 50771 1 1242 . 1 . 1 122 122 LYS H H 1 8.975 0.003 . 1 . . . . . 155 LYS H . 50771 1 1243 . 1 . 1 122 122 LYS HA H 1 4.346 0.000 . 1 . . . . . 155 LYS HA . 50771 1 1244 . 1 . 1 122 122 LYS HB2 H 1 1.616 0.000 . 1 . . . . . 155 LYS HB2 . 50771 1 1245 . 1 . 1 122 122 LYS HB3 H 1 1.616 0.000 . 1 . . . . . 155 LYS HB3 . 50771 1 1246 . 1 . 1 122 122 LYS HG2 H 1 1.278 0.000 . 1 . . . . . 155 LYS HG2 . 50771 1 1247 . 1 . 1 122 122 LYS HG3 H 1 1.278 0.000 . 1 . . . . . 155 LYS HG3 . 50771 1 1248 . 1 . 1 122 122 LYS HD2 H 1 1.412 0.000 . 2 . . . . . 155 LYS HD2 . 50771 1 1249 . 1 . 1 122 122 LYS HD3 H 1 1.574 0.000 . 2 . . . . . 155 LYS HD3 . 50771 1 1250 . 1 . 1 122 122 LYS HE2 H 1 2.934 0.000 . 1 . . . . . 155 LYS HE2 . 50771 1 1251 . 1 . 1 122 122 LYS HE3 H 1 2.934 0.000 . 1 . . . . . 155 LYS HE3 . 50771 1 1252 . 1 . 1 122 122 LYS C C 13 174.561 0.000 . 1 . . . . . 155 LYS C . 50771 1 1253 . 1 . 1 122 122 LYS CA C 13 54.540 0.039 . 1 . . . . . 155 LYS CA . 50771 1 1254 . 1 . 1 122 122 LYS CB C 13 32.084 0.034 . 1 . . . . . 155 LYS CB . 50771 1 1255 . 1 . 1 122 122 LYS CG C 13 24.609 0.000 . 1 . . . . . 155 LYS CG . 50771 1 1256 . 1 . 1 122 122 LYS CD C 13 29.088 0.002 . 1 . . . . . 155 LYS CD . 50771 1 1257 . 1 . 1 122 122 LYS CE C 13 42.255 0.000 . 1 . . . . . 155 LYS CE . 50771 1 1258 . 1 . 1 122 122 LYS N N 15 131.001 0.019 . 1 . . . . . 155 LYS N . 50771 1 1259 . 1 . 1 123 123 LEU H H 1 7.810 0.002 . 1 . . . . . 156 LEU H . 50771 1 1260 . 1 . 1 123 123 LEU HA H 1 4.107 0.000 . 1 . . . . . 156 LEU HA . 50771 1 1261 . 1 . 1 123 123 LEU HB2 H 1 1.345 0.000 . 2 . . . . . 156 LEU HB2 . 50771 1 1262 . 1 . 1 123 123 LEU HB3 H 1 1.162 0.000 . 2 . . . . . 156 LEU HB3 . 50771 1 1263 . 1 . 1 123 123 LEU HG H 1 1.416 0.000 . 1 . . . . . 156 LEU HG . 50771 1 1264 . 1 . 1 123 123 LEU HD11 H 1 0.507 0.000 . 2 . . . . . 156 LEU HD11 . 50771 1 1265 . 1 . 1 123 123 LEU HD12 H 1 0.507 0.000 . 2 . . . . . 156 LEU HD12 . 50771 1 1266 . 1 . 1 123 123 LEU HD13 H 1 0.507 0.000 . 2 . . . . . 156 LEU HD13 . 50771 1 1267 . 1 . 1 123 123 LEU HD21 H 1 0.560 0.000 . 2 . . . . . 156 LEU HD21 . 50771 1 1268 . 1 . 1 123 123 LEU HD22 H 1 0.560 0.000 . 2 . . . . . 156 LEU HD22 . 50771 1 1269 . 1 . 1 123 123 LEU HD23 H 1 0.560 0.000 . 2 . . . . . 156 LEU HD23 . 50771 1 1270 . 1 . 1 123 123 LEU CA C 13 52.030 0.034 . 1 . . . . . 156 LEU CA . 50771 1 1271 . 1 . 1 123 123 LEU CB C 13 42.834 0.041 . 1 . . . . . 156 LEU CB . 50771 1 1272 . 1 . 1 123 123 LEU CG C 13 26.902 0.000 . 1 . . . . . 156 LEU CG . 50771 1 1273 . 1 . 1 123 123 LEU CD1 C 13 25.208 0.000 . 1 . . . . . 156 LEU CD1 . 50771 1 1274 . 1 . 1 123 123 LEU CD2 C 13 25.208 0.000 . 1 . . . . . 156 LEU CD2 . 50771 1 1275 . 1 . 1 123 123 LEU N N 15 125.985 0.016 . 1 . . . . . 156 LEU N . 50771 1 1276 . 1 . 1 124 124 PRO HA H 1 4.302 0.000 . 1 . . . . . 157 PRO HA . 50771 1 1277 . 1 . 1 124 124 PRO HB2 H 1 1.888 0.000 . 2 . . . . . 157 PRO HB2 . 50771 1 1278 . 1 . 1 124 124 PRO HB3 H 1 2.264 0.000 . 2 . . . . . 157 PRO HB3 . 50771 1 1279 . 1 . 1 124 124 PRO HG2 H 1 1.314 0.000 . 2 . . . . . 157 PRO HG2 . 50771 1 1280 . 1 . 1 124 124 PRO HG3 H 1 1.494 0.000 . 2 . . . . . 157 PRO HG3 . 50771 1 1281 . 1 . 1 124 124 PRO HD2 H 1 3.154 0.000 . 2 . . . . . 157 PRO HD2 . 50771 1 1282 . 1 . 1 124 124 PRO HD3 H 1 2.283 0.000 . 2 . . . . . 157 PRO HD3 . 50771 1 1283 . 1 . 1 124 124 PRO C C 13 176.333 0.000 . 1 . . . . . 157 PRO C . 50771 1 1284 . 1 . 1 124 124 PRO CA C 13 62.371 0.000 . 1 . . . . . 157 PRO CA . 50771 1 1285 . 1 . 1 124 124 PRO CB C 13 30.991 0.008 . 1 . . . . . 157 PRO CB . 50771 1 1286 . 1 . 1 124 124 PRO CG C 13 27.186 0.003 . 1 . . . . . 157 PRO CG . 50771 1 1287 . 1 . 1 124 124 PRO CD C 13 49.899 0.000 . 1 . . . . . 157 PRO CD . 50771 1 1288 . 1 . 1 125 125 LYS H H 1 8.300 0.003 . 1 . . . . . 158 LYS H . 50771 1 1289 . 1 . 1 125 125 LYS HA H 1 4.052 0.000 . 1 . . . . . 158 LYS HA . 50771 1 1290 . 1 . 1 125 125 LYS HB2 H 1 1.786 0.000 . 1 . . . . . 158 LYS HB2 . 50771 1 1291 . 1 . 1 125 125 LYS HB3 H 1 1.786 0.000 . 1 . . . . . 158 LYS HB3 . 50771 1 1292 . 1 . 1 125 125 LYS HG2 H 1 1.507 0.000 . 1 . . . . . 158 LYS HG2 . 50771 1 1293 . 1 . 1 125 125 LYS HG3 H 1 1.507 0.000 . 1 . . . . . 158 LYS HG3 . 50771 1 1294 . 1 . 1 125 125 LYS HD2 H 1 1.708 0.000 . 1 . . . . . 158 LYS HD2 . 50771 1 1295 . 1 . 1 125 125 LYS HD3 H 1 1.708 0.000 . 1 . . . . . 158 LYS HD3 . 50771 1 1296 . 1 . 1 125 125 LYS HE2 H 1 2.998 0.000 . 1 . . . . . 158 LYS HE2 . 50771 1 1297 . 1 . 1 125 125 LYS HE3 H 1 2.998 0.000 . 1 . . . . . 158 LYS HE3 . 50771 1 1298 . 1 . 1 125 125 LYS C C 13 176.112 0.000 . 1 . . . . . 158 LYS C . 50771 1 1299 . 1 . 1 125 125 LYS CA C 13 57.765 0.045 . 1 . . . . . 158 LYS CA . 50771 1 1300 . 1 . 1 125 125 LYS CB C 13 32.603 0.080 . 1 . . . . . 158 LYS CB . 50771 1 1301 . 1 . 1 125 125 LYS CG C 13 24.872 0.000 . 1 . . . . . 158 LYS CG . 50771 1 1302 . 1 . 1 125 125 LYS CD C 13 29.133 0.000 . 1 . . . . . 158 LYS CD . 50771 1 1303 . 1 . 1 125 125 LYS CE C 13 42.196 0.000 . 1 . . . . . 158 LYS CE . 50771 1 1304 . 1 . 1 125 125 LYS N N 15 120.147 0.064 . 1 . . . . . 158 LYS N . 50771 1 1305 . 1 . 1 126 126 ASN H H 1 8.749 0.002 . 1 . . . . . 159 ASN H . 50771 1 1306 . 1 . 1 126 126 ASN HA H 1 4.463 0.000 . 1 . . . . . 159 ASN HA . 50771 1 1307 . 1 . 1 126 126 ASN HB2 H 1 2.578 0.000 . 2 . . . . . 159 ASN HB2 . 50771 1 1308 . 1 . 1 126 126 ASN HB3 H 1 3.052 0.000 . 2 . . . . . 159 ASN HB3 . 50771 1 1309 . 1 . 1 126 126 ASN C C 13 173.114 0.000 . 1 . . . . . 159 ASN C . 50771 1 1310 . 1 . 1 126 126 ASN CA C 13 54.282 0.054 . 1 . . . . . 159 ASN CA . 50771 1 1311 . 1 . 1 126 126 ASN CB C 13 36.750 0.068 . 1 . . . . . 159 ASN CB . 50771 1 1312 . 1 . 1 126 126 ASN N N 15 113.454 0.039 . 1 . . . . . 159 ASN N . 50771 1 1313 . 1 . 1 127 127 PHE H H 1 7.614 0.003 . 1 . . . . . 160 PHE H . 50771 1 1314 . 1 . 1 127 127 PHE HA H 1 5.280 0.000 . 1 . . . . . 160 PHE HA . 50771 1 1315 . 1 . 1 127 127 PHE HB2 H 1 2.855 0.000 . 2 . . . . . 160 PHE HB2 . 50771 1 1316 . 1 . 1 127 127 PHE HB3 H 1 2.293 0.000 . 2 . . . . . 160 PHE HB3 . 50771 1 1317 . 1 . 1 127 127 PHE C C 13 175.527 0.000 . 1 . . . . . 160 PHE C . 50771 1 1318 . 1 . 1 127 127 PHE CA C 13 57.277 0.009 . 1 . . . . . 160 PHE CA . 50771 1 1319 . 1 . 1 127 127 PHE CB C 13 42.156 0.093 . 1 . . . . . 160 PHE CB . 50771 1 1320 . 1 . 1 127 127 PHE N N 15 117.144 0.051 . 1 . . . . . 160 PHE N . 50771 1 1321 . 1 . 1 128 128 HIS H H 1 8.685 0.007 . 1 . . . . . 161 HIS H . 50771 1 1322 . 1 . 1 128 128 HIS HA H 1 4.946 0.000 . 1 . . . . . 161 HIS HA . 50771 1 1323 . 1 . 1 128 128 HIS HB2 H 1 3.104 0.000 . 2 . . . . . 161 HIS HB2 . 50771 1 1324 . 1 . 1 128 128 HIS HB3 H 1 3.048 0.000 . 2 . . . . . 161 HIS HB3 . 50771 1 1325 . 1 . 1 128 128 HIS HD2 H 1 7.015 0.000 . 1 . . . . . 161 HIS HD2 . 50771 1 1326 . 1 . 1 128 128 HIS C C 13 173.796 0.000 . 1 . . . . . 161 HIS C . 50771 1 1327 . 1 . 1 128 128 HIS CA C 13 54.414 0.089 . 1 . . . . . 161 HIS CA . 50771 1 1328 . 1 . 1 128 128 HIS CB C 13 33.487 0.047 . 1 . . . . . 161 HIS CB . 50771 1 1329 . 1 . 1 128 128 HIS CD2 C 13 119.754 0.000 . 1 . . . . . 161 HIS CD2 . 50771 1 1330 . 1 . 1 128 128 HIS N N 15 119.071 0.072 . 1 . . . . . 161 HIS N . 50771 1 1331 . 1 . 1 129 129 ILE H H 1 8.592 0.005 . 1 . . . . . 162 ILE H . 50771 1 1332 . 1 . 1 129 129 ILE HA H 1 4.093 0.000 . 1 . . . . . 162 ILE HA . 50771 1 1333 . 1 . 1 129 129 ILE HB H 1 1.571 0.000 . 1 . . . . . 162 ILE HB . 50771 1 1334 . 1 . 1 129 129 ILE HG12 H 1 1.592 0.000 . 2 . . . . . 162 ILE HG12 . 50771 1 1335 . 1 . 1 129 129 ILE HG13 H 1 0.765 0.000 . 2 . . . . . 162 ILE HG13 . 50771 1 1336 . 1 . 1 129 129 ILE HG21 H 1 0.895 0.000 . 1 . . . . . 162 ILE HG21 . 50771 1 1337 . 1 . 1 129 129 ILE HG22 H 1 0.895 0.000 . 1 . . . . . 162 ILE HG22 . 50771 1 1338 . 1 . 1 129 129 ILE HG23 H 1 0.895 0.000 . 1 . . . . . 162 ILE HG23 . 50771 1 1339 . 1 . 1 129 129 ILE HD11 H 1 0.907 0.000 . 1 . . . . . 162 ILE HD11 . 50771 1 1340 . 1 . 1 129 129 ILE HD12 H 1 0.907 0.000 . 1 . . . . . 162 ILE HD12 . 50771 1 1341 . 1 . 1 129 129 ILE HD13 H 1 0.907 0.000 . 1 . . . . . 162 ILE HD13 . 50771 1 1342 . 1 . 1 129 129 ILE C C 13 175.907 0.000 . 1 . . . . . 162 ILE C . 50771 1 1343 . 1 . 1 129 129 ILE CA C 13 62.361 0.053 . 1 . . . . . 162 ILE CA . 50771 1 1344 . 1 . 1 129 129 ILE CB C 13 38.314 0.142 . 1 . . . . . 162 ILE CB . 50771 1 1345 . 1 . 1 129 129 ILE CG1 C 13 27.822 0.005 . 1 . . . . . 162 ILE CG1 . 50771 1 1346 . 1 . 1 129 129 ILE CG2 C 13 17.948 0.000 . 1 . . . . . 162 ILE CG2 . 50771 1 1347 . 1 . 1 129 129 ILE CD1 C 13 13.838 0.000 . 1 . . . . . 162 ILE CD1 . 50771 1 1348 . 1 . 1 129 129 ILE N N 15 126.771 0.030 . 1 . . . . . 162 ILE N . 50771 1 1349 . 1 . 1 130 130 GLU H H 1 8.968 0.003 . 1 . . . . . 163 GLU H . 50771 1 1350 . 1 . 1 130 130 GLU HA H 1 4.307 0.000 . 1 . . . . . 163 GLU HA . 50771 1 1351 . 1 . 1 130 130 GLU HB2 H 1 2.276 0.000 . 2 . . . . . 163 GLU HB2 . 50771 1 1352 . 1 . 1 130 130 GLU HB3 H 1 2.173 0.000 . 2 . . . . . 163 GLU HB3 . 50771 1 1353 . 1 . 1 130 130 GLU HG2 H 1 2.292 0.000 . 2 . . . . . 163 GLU HG2 . 50771 1 1354 . 1 . 1 130 130 GLU HG3 H 1 2.363 0.000 . 2 . . . . . 163 GLU HG3 . 50771 1 1355 . 1 . 1 130 130 GLU C C 13 176.936 0.000 . 1 . . . . . 163 GLU C . 50771 1 1356 . 1 . 1 130 130 GLU CA C 13 57.180 0.034 . 1 . . . . . 163 GLU CA . 50771 1 1357 . 1 . 1 130 130 GLU CB C 13 29.853 0.152 . 1 . . . . . 163 GLU CB . 50771 1 1358 . 1 . 1 130 130 GLU CG C 13 35.652 0.006 . 1 . . . . . 163 GLU CG . 50771 1 1359 . 1 . 1 130 130 GLU N N 15 129.140 0.058 . 1 . . . . . 163 GLU N . 50771 1 1360 . 1 . 1 131 131 GLY H H 1 8.808 0.003 . 1 . . . . . 164 GLY H . 50771 1 1361 . 1 . 1 131 131 GLY HA2 H 1 4.283 0.000 . 2 . . . . . 164 GLY HA2 . 50771 1 1362 . 1 . 1 131 131 GLY HA3 H 1 4.076 0.000 . 2 . . . . . 164 GLY HA3 . 50771 1 1363 . 1 . 1 131 131 GLY C C 13 174.834 0.000 . 1 . . . . . 164 GLY C . 50771 1 1364 . 1 . 1 131 131 GLY CA C 13 44.991 0.042 . 1 . . . . . 164 GLY CA . 50771 1 1365 . 1 . 1 131 131 GLY N N 15 109.593 0.022 . 1 . . . . . 164 GLY N . 50771 1 1366 . 1 . 1 132 132 THR H H 1 7.854 0.002 . 1 . . . . . 165 THR H . 50771 1 1367 . 1 . 1 132 132 THR HA H 1 4.514 0.000 . 1 . . . . . 165 THR HA . 50771 1 1368 . 1 . 1 132 132 THR HB H 1 4.335 0.000 . 1 . . . . . 165 THR HB . 50771 1 1369 . 1 . 1 132 132 THR C C 13 175.234 0.000 . 1 . . . . . 165 THR C . 50771 1 1370 . 1 . 1 132 132 THR CA C 13 61.508 0.055 . 1 . . . . . 165 THR CA . 50771 1 1371 . 1 . 1 132 132 THR CB C 13 70.607 0.061 . 1 . . . . . 165 THR CB . 50771 1 1372 . 1 . 1 132 132 THR N N 15 110.178 0.028 . 1 . . . . . 165 THR N . 50771 1 1373 . 1 . 1 133 133 GLY H H 1 8.617 0.095 . 1 . . . . . 166 GLY H . 50771 1 1374 . 1 . 1 133 133 GLY HA2 H 1 4.115 0.000 . 1 . . . . . 166 GLY HA2 . 50771 1 1375 . 1 . 1 133 133 GLY HA3 H 1 4.115 0.000 . 1 . . . . . 166 GLY HA3 . 50771 1 1376 . 1 . 1 133 133 GLY C C 13 174.798 0.000 . 1 . . . . . 166 GLY C . 50771 1 1377 . 1 . 1 133 133 GLY CA C 13 45.541 0.282 . 1 . . . . . 166 GLY CA . 50771 1 1378 . 1 . 1 133 133 GLY N N 15 111.750 2.383 . 1 . . . . . 166 GLY N . 50771 1 1379 . 1 . 1 134 134 GLY H H 1 8.397 0.002 . 1 . . . . . 167 GLY H . 50771 1 1380 . 1 . 1 134 134 GLY HA2 H 1 4.021 0.018 . 2 . . . . . 167 GLY HA2 . 50771 1 1381 . 1 . 1 134 134 GLY HA3 H 1 4.017 0.014 . 2 . . . . . 167 GLY HA3 . 50771 1 1382 . 1 . 1 134 134 GLY C C 13 174.098 0.000 . 1 . . . . . 167 GLY C . 50771 1 1383 . 1 . 1 134 134 GLY CA C 13 45.319 0.039 . 1 . . . . . 167 GLY CA . 50771 1 1384 . 1 . 1 134 134 GLY N N 15 108.878 0.038 . 1 . . . . . 167 GLY N . 50771 1 1385 . 1 . 1 135 135 ASN H H 1 8.478 0.003 . 1 . . . . . 168 ASN H . 50771 1 1386 . 1 . 1 135 135 ASN HA H 1 4.835 0.000 . 1 . . . . . 168 ASN HA . 50771 1 1387 . 1 . 1 135 135 ASN HB2 H 1 2.853 0.000 . 2 . . . . . 168 ASN HB2 . 50771 1 1388 . 1 . 1 135 135 ASN HB3 H 1 2.746 0.000 . 2 . . . . . 168 ASN HB3 . 50771 1 1389 . 1 . 1 135 135 ASN C C 13 175.625 0.000 . 1 . . . . . 168 ASN C . 50771 1 1390 . 1 . 1 135 135 ASN CA C 13 53.156 0.013 . 1 . . . . . 168 ASN CA . 50771 1 1391 . 1 . 1 135 135 ASN CB C 13 39.018 0.027 . 1 . . . . . 168 ASN CB . 50771 1 1392 . 1 . 1 135 135 ASN N N 15 118.881 0.018 . 1 . . . . . 168 ASN N . 50771 1 1393 . 1 . 1 136 136 SER H H 1 8.421 0.004 . 1 . . . . . 169 SER H . 50771 1 1394 . 1 . 1 136 136 SER HA H 1 4.519 0.000 . 1 . . . . . 169 SER HA . 50771 1 1395 . 1 . 1 136 136 SER HB2 H 1 4.054 0.000 . 1 . . . . . 169 SER HB2 . 50771 1 1396 . 1 . 1 136 136 SER HB3 H 1 4.054 0.000 . 1 . . . . . 169 SER HB3 . 50771 1 1397 . 1 . 1 136 136 SER CA C 13 58.765 0.022 . 1 . . . . . 169 SER CA . 50771 1 1398 . 1 . 1 136 136 SER CB C 13 63.729 0.000 . 1 . . . . . 169 SER CB . 50771 1 1399 . 1 . 1 136 136 SER N N 15 116.492 0.044 . 1 . . . . . 169 SER N . 50771 1 1400 . 1 . 1 140 140 SER HA H 1 3.912 0.000 . 1 . . . . . 173 SER HA . 50771 1 1401 . 1 . 1 140 140 SER HB2 H 1 4.505 0.000 . 1 . . . . . 173 SER HB2 . 50771 1 1402 . 1 . 1 140 140 SER HB3 H 1 4.505 0.000 . 1 . . . . . 173 SER HB3 . 50771 1 1403 . 1 . 1 140 140 SER C C 13 174.670 0.015 . 1 . . . . . 173 SER C . 50771 1 1404 . 1 . 1 140 140 SER CA C 13 58.587 0.069 . 1 . . . . . 173 SER CA . 50771 1 1405 . 1 . 1 140 140 SER CB C 13 63.780 0.076 . 1 . . . . . 173 SER CB . 50771 1 1406 . 1 . 1 141 141 ARG H H 1 8.279 0.006 . 1 . . . . . 174 ARG H . 50771 1 1407 . 1 . 1 141 141 ARG HA H 1 4.377 0.000 . 1 . . . . . 174 ARG HA . 50771 1 1408 . 1 . 1 141 141 ARG HB2 H 1 1.921 0.000 . 2 . . . . . 174 ARG HB2 . 50771 1 1409 . 1 . 1 141 141 ARG HB3 H 1 1.790 0.000 . 2 . . . . . 174 ARG HB3 . 50771 1 1410 . 1 . 1 141 141 ARG HG2 H 1 1.653 0.000 . 1 . . . . . 174 ARG HG2 . 50771 1 1411 . 1 . 1 141 141 ARG HG3 H 1 1.653 0.000 . 1 . . . . . 174 ARG HG3 . 50771 1 1412 . 1 . 1 141 141 ARG HD2 H 1 3.232 0.000 . 1 . . . . . 174 ARG HD2 . 50771 1 1413 . 1 . 1 141 141 ARG HD3 H 1 3.232 0.000 . 1 . . . . . 174 ARG HD3 . 50771 1 1414 . 1 . 1 141 141 ARG C C 13 176.209 0.000 . 1 . . . . . 174 ARG C . 50771 1 1415 . 1 . 1 141 141 ARG CA C 13 56.149 0.064 . 1 . . . . . 174 ARG CA . 50771 1 1416 . 1 . 1 141 141 ARG CB C 13 30.703 0.016 . 1 . . . . . 174 ARG CB . 50771 1 1417 . 1 . 1 141 141 ARG CG C 13 27.526 0.000 . 1 . . . . . 174 ARG CG . 50771 1 1418 . 1 . 1 141 141 ARG CD C 13 43.320 0.000 . 1 . . . . . 174 ARG CD . 50771 1 1419 . 1 . 1 141 141 ARG N N 15 122.971 0.136 . 1 . . . . . 174 ARG N . 50771 1 1420 . 1 . 1 142 142 ALA H H 1 8.282 0.003 . 1 . . . . . 175 ALA H . 50771 1 1421 . 1 . 1 142 142 ALA HA H 1 4.355 0.000 . 1 . . . . . 175 ALA HA . 50771 1 1422 . 1 . 1 142 142 ALA HB1 H 1 1.435 0.000 . 1 . . . . . 175 ALA HB1 . 50771 1 1423 . 1 . 1 142 142 ALA HB2 H 1 1.435 0.000 . 1 . . . . . 175 ALA HB2 . 50771 1 1424 . 1 . 1 142 142 ALA HB3 H 1 1.435 0.000 . 1 . . . . . 175 ALA HB3 . 50771 1 1425 . 1 . 1 142 142 ALA C C 13 177.896 0.000 . 1 . . . . . 175 ALA C . 50771 1 1426 . 1 . 1 142 142 ALA CA C 13 52.810 0.035 . 1 . . . . . 175 ALA CA . 50771 1 1427 . 1 . 1 142 142 ALA CB C 13 19.167 0.030 . 1 . . . . . 175 ALA CB . 50771 1 1428 . 1 . 1 142 142 ALA N N 15 125.037 0.121 . 1 . . . . . 175 ALA N . 50771 1 1429 . 1 . 1 143 143 SER H H 1 8.276 0.004 . 1 . . . . . 176 SER H . 50771 1 1430 . 1 . 1 143 143 SER HA H 1 4.480 0.000 . 1 . . . . . 176 SER HA . 50771 1 1431 . 1 . 1 143 143 SER HB2 H 1 4.052 0.000 . 1 . . . . . 176 SER HB2 . 50771 1 1432 . 1 . 1 143 143 SER HB3 H 1 4.052 0.000 . 1 . . . . . 176 SER HB3 . 50771 1 1433 . 1 . 1 143 143 SER CA C 13 58.505 0.007 . 1 . . . . . 176 SER CA . 50771 1 1434 . 1 . 1 143 143 SER CB C 13 63.878 0.005 . 1 . . . . . 176 SER CB . 50771 1 1435 . 1 . 1 143 143 SER N N 15 114.974 0.140 . 1 . . . . . 176 SER N . 50771 1 1436 . 1 . 1 144 144 SER H H 1 8.274 0.001 . 1 . . . . . 177 SER H . 50771 1 1437 . 1 . 1 144 144 SER CA C 13 58.515 0.000 . 1 . . . . . 177 SER CA . 50771 1 1438 . 1 . 1 144 144 SER CB C 13 63.851 0.000 . 1 . . . . . 177 SER CB . 50771 1 1439 . 1 . 1 144 144 SER N N 15 117.840 0.000 . 1 . . . . . 177 SER N . 50771 1 1440 . 1 . 1 145 145 VAL HA H 1 4.170 0.000 . 1 . . . . . 178 VAL HA . 50771 1 1441 . 1 . 1 145 145 VAL HB H 1 2.073 0.000 . 1 . . . . . 178 VAL HB . 50771 1 1442 . 1 . 1 145 145 VAL HG11 H 1 0.906 0.000 . 2 . . . . . 178 VAL HG11 . 50771 1 1443 . 1 . 1 145 145 VAL HG12 H 1 0.906 0.000 . 2 . . . . . 178 VAL HG12 . 50771 1 1444 . 1 . 1 145 145 VAL HG13 H 1 0.906 0.000 . 2 . . . . . 178 VAL HG13 . 50771 1 1445 . 1 . 1 145 145 VAL HG21 H 1 0.898 0.000 . 2 . . . . . 178 VAL HG21 . 50771 1 1446 . 1 . 1 145 145 VAL HG22 H 1 0.898 0.000 . 2 . . . . . 178 VAL HG22 . 50771 1 1447 . 1 . 1 145 145 VAL HG23 H 1 0.898 0.000 . 2 . . . . . 178 VAL HG23 . 50771 1 1448 . 1 . 1 145 145 VAL CA C 13 62.316 0.000 . 1 . . . . . 178 VAL CA . 50771 1 1449 . 1 . 1 145 145 VAL CB C 13 32.708 0.000 . 1 . . . . . 178 VAL CB . 50771 1 1450 . 1 . 1 145 145 VAL CG1 C 13 20.458 0.000 . 2 . . . . . 178 VAL CG1 . 50771 1 1451 . 1 . 1 145 145 VAL CG2 C 13 21.212 0.000 . 2 . . . . . 178 VAL CG2 . 50771 1 1452 . 1 . 1 147 147 ARG HA H 1 4.390 0.000 . 1 . . . . . 180 ARG HA . 50771 1 1453 . 1 . 1 147 147 ARG HB2 H 1 1.921 0.000 . 2 . . . . . 180 ARG HB2 . 50771 1 1454 . 1 . 1 147 147 ARG HB3 H 1 1.810 0.000 . 2 . . . . . 180 ARG HB3 . 50771 1 1455 . 1 . 1 147 147 ARG HG2 H 1 1.676 0.000 . 1 . . . . . 180 ARG HG2 . 50771 1 1456 . 1 . 1 147 147 ARG HG3 H 1 1.676 0.000 . 1 . . . . . 180 ARG HG3 . 50771 1 1457 . 1 . 1 147 147 ARG HD2 H 1 3.230 0.000 . 1 . . . . . 180 ARG HD2 . 50771 1 1458 . 1 . 1 147 147 ARG HD3 H 1 3.230 0.000 . 1 . . . . . 180 ARG HD3 . 50771 1 1459 . 1 . 1 147 147 ARG C C 13 176.207 0.000 . 1 . . . . . 180 ARG C . 50771 1 1460 . 1 . 1 147 147 ARG CA C 13 56.244 0.000 . 1 . . . . . 180 ARG CA . 50771 1 1461 . 1 . 1 147 147 ARG CB C 13 30.661 0.006 . 1 . . . . . 180 ARG CB . 50771 1 1462 . 1 . 1 147 147 ARG CG C 13 27.113 0.000 . 1 . . . . . 180 ARG CG . 50771 1 1463 . 1 . 1 147 147 ARG CD C 13 43.505 0.000 . 1 . . . . . 180 ARG CD . 50771 1 1464 . 1 . 1 148 148 ASN H H 1 8.451 0.006 . 1 . . . . . 181 ASN H . 50771 1 1465 . 1 . 1 148 148 ASN HA H 1 4.801 0.000 . 1 . . . . . 181 ASN HA . 50771 1 1466 . 1 . 1 148 148 ASN HB2 H 1 2.892 0.000 . 2 . . . . . 181 ASN HB2 . 50771 1 1467 . 1 . 1 148 148 ASN HB3 H 1 2.815 0.000 . 2 . . . . . 181 ASN HB3 . 50771 1 1468 . 1 . 1 148 148 ASN C C 13 175.533 0.000 . 1 . . . . . 181 ASN C . 50771 1 1469 . 1 . 1 148 148 ASN CA C 13 53.243 0.092 . 1 . . . . . 181 ASN CA . 50771 1 1470 . 1 . 1 148 148 ASN CB C 13 39.009 0.084 . 1 . . . . . 181 ASN CB . 50771 1 1471 . 1 . 1 148 148 ASN N N 15 119.566 0.040 . 1 . . . . . 181 ASN N . 50771 1 1472 . 1 . 1 149 149 SER H H 1 8.380 0.002 . 1 . . . . . 182 SER H . 50771 1 1473 . 1 . 1 149 149 SER C C 13 174.766 0.000 . 1 . . . . . 182 SER C . 50771 1 1474 . 1 . 1 149 149 SER CA C 13 58.604 0.000 . 1 . . . . . 182 SER CA . 50771 1 1475 . 1 . 1 149 149 SER CB C 13 63.805 0.031 . 1 . . . . . 182 SER CB . 50771 1 1476 . 1 . 1 149 149 SER N N 15 116.310 0.066 . 1 . . . . . 182 SER N . 50771 1 1477 . 1 . 1 150 150 SER H H 1 8.396 0.008 . 1 . . . . . 183 SER H . 50771 1 1478 . 1 . 1 150 150 SER HA H 1 3.920 0.000 . 1 . . . . . 183 SER HA . 50771 1 1479 . 1 . 1 150 150 SER HB2 H 1 4.528 0.000 . 1 . . . . . 183 SER HB2 . 50771 1 1480 . 1 . 1 150 150 SER HB3 H 1 4.528 0.000 . 1 . . . . . 183 SER HB3 . 50771 1 1481 . 1 . 1 150 150 SER C C 13 174.627 0.000 . 1 . . . . . 183 SER C . 50771 1 1482 . 1 . 1 150 150 SER CA C 13 58.513 0.029 . 1 . . . . . 183 SER CA . 50771 1 1483 . 1 . 1 150 150 SER CB C 13 63.756 0.062 . 1 . . . . . 183 SER CB . 50771 1 1484 . 1 . 1 150 150 SER N N 15 117.798 0.025 . 1 . . . . . 183 SER N . 50771 1 1485 . 1 . 1 151 151 ARG H H 1 8.051 0.002 . 1 . . . . . 184 ARG H . 50771 1 1486 . 1 . 1 151 151 ARG HA H 1 4.175 0.000 . 1 . . . . . 184 ARG HA . 50771 1 1487 . 1 . 1 151 151 ARG HB2 H 1 2.114 0.000 . 2 . . . . . 184 ARG HB2 . 50771 1 1488 . 1 . 1 151 151 ARG HB3 H 1 2.494 0.000 . 2 . . . . . 184 ARG HB3 . 50771 1 1489 . 1 . 1 151 151 ARG HG2 H 1 1.854 0.000 . 1 . . . . . 184 ARG HG2 . 50771 1 1490 . 1 . 1 151 151 ARG HG3 H 1 1.854 0.000 . 1 . . . . . 184 ARG HG3 . 50771 1 1491 . 1 . 1 151 151 ARG HD2 H 1 3.246 0.000 . 1 . . . . . 184 ARG HD2 . 50771 1 1492 . 1 . 1 151 151 ARG HD3 H 1 3.246 0.000 . 1 . . . . . 184 ARG HD3 . 50771 1 1493 . 1 . 1 151 151 ARG C C 13 176.312 0.000 . 1 . . . . . 184 ARG C . 50771 1 1494 . 1 . 1 151 151 ARG CA C 13 62.528 0.075 . 1 . . . . . 184 ARG CA . 50771 1 1495 . 1 . 1 151 151 ARG CB C 13 32.609 0.011 . 1 . . . . . 184 ARG CB . 50771 1 1496 . 1 . 1 151 151 ARG CG C 13 27.108 0.000 . 1 . . . . . 184 ARG CG . 50771 1 1497 . 1 . 1 151 151 ARG CD C 13 43.461 0.000 . 1 . . . . . 184 ARG CD . 50771 1 1498 . 1 . 1 151 151 ARG N N 15 121.112 0.023 . 1 . . . . . 184 ARG N . 50771 1 1499 . 1 . 1 152 152 SER H H 1 8.309 0.001 . 1 . . . . . 185 SER H . 50771 1 1500 . 1 . 1 152 152 SER CA C 13 58.470 0.000 . 1 . . . . . 185 SER CA . 50771 1 1501 . 1 . 1 152 152 SER CB C 13 63.823 0.000 . 1 . . . . . 185 SER CB . 50771 1 1502 . 1 . 1 152 152 SER N N 15 119.125 0.034 . 1 . . . . . 185 SER N . 50771 1 1503 . 1 . 1 153 153 SER HA H 1 4.522 0.000 . 1 . . . . . 186 SER HA . 50771 1 1504 . 1 . 1 153 153 SER HB2 H 1 3.931 0.000 . 1 . . . . . 186 SER HB2 . 50771 1 1505 . 1 . 1 153 153 SER HB3 H 1 3.931 0.000 . 1 . . . . . 186 SER HB3 . 50771 1 1506 . 1 . 1 153 153 SER C C 13 174.804 0.000 . 1 . . . . . 186 SER C . 50771 1 1507 . 1 . 1 153 153 SER CA C 13 58.489 0.000 . 1 . . . . . 186 SER CA . 50771 1 1508 . 1 . 1 153 153 SER CB C 13 63.704 0.000 . 1 . . . . . 186 SER CB . 50771 1 1509 . 1 . 1 154 154 SER H H 1 8.351 0.020 . 1 . . . . . 187 SER H . 50771 1 1510 . 1 . 1 154 154 SER HA H 1 3.909 0.000 . 1 . . . . . 187 SER HA . 50771 1 1511 . 1 . 1 154 154 SER HB2 H 1 4.515 0.000 . 1 . . . . . 187 SER HB2 . 50771 1 1512 . 1 . 1 154 154 SER HB3 H 1 4.515 0.000 . 1 . . . . . 187 SER HB3 . 50771 1 1513 . 1 . 1 154 154 SER C C 13 174.752 0.000 . 1 . . . . . 187 SER C . 50771 1 1514 . 1 . 1 154 154 SER CA C 13 58.582 0.037 . 1 . . . . . 187 SER CA . 50771 1 1515 . 1 . 1 154 154 SER CB C 13 63.718 0.048 . 1 . . . . . 187 SER CB . 50771 1 1516 . 1 . 1 154 154 SER N N 15 117.755 0.129 . 1 . . . . . 187 SER N . 50771 1 1517 . 1 . 1 155 155 GLN H H 1 8.375 0.003 . 1 . . . . . 188 GLN H . 50771 1 1518 . 1 . 1 155 155 GLN HA H 1 4.381 0.000 . 1 . . . . . 188 GLN HA . 50771 1 1519 . 1 . 1 155 155 GLN HB2 H 1 2.185 0.000 . 2 . . . . . 188 GLN HB2 . 50771 1 1520 . 1 . 1 155 155 GLN HB3 H 1 2.039 0.000 . 2 . . . . . 188 GLN HB3 . 50771 1 1521 . 1 . 1 155 155 GLN HG2 H 1 2.410 0.000 . 1 . . . . . 188 GLN HG2 . 50771 1 1522 . 1 . 1 155 155 GLN HG3 H 1 2.410 0.000 . 1 . . . . . 188 GLN HG3 . 50771 1 1523 . 1 . 1 155 155 GLN C C 13 176.543 0.000 . 1 . . . . . 188 GLN C . 50771 1 1524 . 1 . 1 155 155 GLN CA C 13 56.217 0.050 . 1 . . . . . 188 GLN CA . 50771 1 1525 . 1 . 1 155 155 GLN CB C 13 29.383 0.005 . 1 . . . . . 188 GLN CB . 50771 1 1526 . 1 . 1 155 155 GLN CG C 13 33.890 0.000 . 1 . . . . . 188 GLN CG . 50771 1 1527 . 1 . 1 155 155 GLN N N 15 122.065 0.029 . 1 . . . . . 188 GLN N . 50771 1 1528 . 1 . 1 156 156 GLY H H 1 8.410 0.009 . 1 . . . . . 189 GLY H . 50771 1 1529 . 1 . 1 156 156 GLY HA2 H 1 4.017 0.000 . 2 . . . . . 189 GLY HA2 . 50771 1 1530 . 1 . 1 156 156 GLY HA3 H 1 3.908 0.000 . 2 . . . . . 189 GLY HA3 . 50771 1 1531 . 1 . 1 156 156 GLY CA C 13 45.313 0.053 . 1 . . . . . 189 GLY CA . 50771 1 1532 . 1 . 1 156 156 GLY N N 15 109.952 0.137 . 1 . . . . . 189 GLY N . 50771 1 1533 . 1 . 1 157 157 SER H H 1 8.245 0.002 . 1 . . . . . 190 SER H . 50771 1 1534 . 1 . 1 157 157 SER HA H 1 4.497 0.000 . 1 . . . . . 190 SER HA . 50771 1 1535 . 1 . 1 157 157 SER HB2 H 1 3.899 0.000 . 1 . . . . . 190 SER HB2 . 50771 1 1536 . 1 . 1 157 157 SER HB3 H 1 3.899 0.000 . 1 . . . . . 190 SER HB3 . 50771 1 1537 . 1 . 1 157 157 SER C C 13 174.853 0.000 . 1 . . . . . 190 SER C . 50771 1 1538 . 1 . 1 157 157 SER CA C 13 58.484 0.075 . 1 . . . . . 190 SER CA . 50771 1 1539 . 1 . 1 157 157 SER CB C 13 63.812 0.100 . 1 . . . . . 190 SER CB . 50771 1 1540 . 1 . 1 157 157 SER N N 15 115.807 0.018 . 1 . . . . . 190 SER N . 50771 1 1541 . 1 . 1 158 158 ARG H H 1 8.463 0.003 . 1 . . . . . 191 ARG H . 50771 1 1542 . 1 . 1 158 158 ARG HA H 1 4.438 0.000 . 1 . . . . . 191 ARG HA . 50771 1 1543 . 1 . 1 158 158 ARG HB2 H 1 1.938 0.000 . 2 . . . . . 191 ARG HB2 . 50771 1 1544 . 1 . 1 158 158 ARG HB3 H 1 1.818 0.000 . 2 . . . . . 191 ARG HB3 . 50771 1 1545 . 1 . 1 158 158 ARG HG2 H 1 1.680 0.000 . 1 . . . . . 191 ARG HG2 . 50771 1 1546 . 1 . 1 158 158 ARG HG3 H 1 1.680 0.000 . 1 . . . . . 191 ARG HG3 . 50771 1 1547 . 1 . 1 158 158 ARG HD2 H 1 3.232 0.000 . 1 . . . . . 191 ARG HD2 . 50771 1 1548 . 1 . 1 158 158 ARG HD3 H 1 3.232 0.000 . 1 . . . . . 191 ARG HD3 . 50771 1 1549 . 1 . 1 158 158 ARG C C 13 176.286 0.000 . 1 . . . . . 191 ARG C . 50771 1 1550 . 1 . 1 158 158 ARG CA C 13 56.182 0.060 . 1 . . . . . 191 ARG CA . 50771 1 1551 . 1 . 1 158 158 ARG CB C 13 30.648 0.041 . 1 . . . . . 191 ARG CB . 50771 1 1552 . 1 . 1 158 158 ARG CG C 13 27.087 0.000 . 1 . . . . . 191 ARG CG . 50771 1 1553 . 1 . 1 158 158 ARG CD C 13 43.415 0.000 . 1 . . . . . 191 ARG CD . 50771 1 1554 . 1 . 1 158 158 ARG N N 15 123.067 0.028 . 1 . . . . . 191 ARG N . 50771 1 1555 . 1 . 1 159 159 SER H H 1 8.328 0.003 . 1 . . . . . 192 SER H . 50771 1 1556 . 1 . 1 159 159 SER C C 13 175.055 0.000 . 1 . . . . . 192 SER C . 50771 1 1557 . 1 . 1 159 159 SER CA C 13 58.529 0.036 . 1 . . . . . 192 SER CA . 50771 1 1558 . 1 . 1 159 159 SER CB C 13 63.882 0.013 . 1 . . . . . 192 SER CB . 50771 1 1559 . 1 . 1 159 159 SER N N 15 116.639 0.029 . 1 . . . . . 192 SER N . 50771 1 1560 . 1 . 1 160 160 GLY H H 1 8.431 0.003 . 1 . . . . . 193 GLY H . 50771 1 1561 . 1 . 1 160 160 GLY HA2 H 1 4.021 0.000 . 1 . . . . . 193 GLY HA2 . 50771 1 1562 . 1 . 1 160 160 GLY HA3 H 1 4.010 0.016 . 1 . . . . . 193 GLY HA3 . 50771 1 1563 . 1 . 1 160 160 GLY C C 13 173.988 0.000 . 1 . . . . . 193 GLY C . 50771 1 1564 . 1 . 1 160 160 GLY CA C 13 45.416 0.062 . 1 . . . . . 193 GLY CA . 50771 1 1565 . 1 . 1 160 160 GLY N N 15 110.814 0.051 . 1 . . . . . 193 GLY N . 50771 1 1566 . 1 . 1 161 161 ASN H H 1 8.349 0.003 . 1 . . . . . 194 ASN H . 50771 1 1567 . 1 . 1 161 161 ASN CA C 13 53.304 0.000 . 1 . . . . . 194 ASN CA . 50771 1 1568 . 1 . 1 161 161 ASN CB C 13 39.124 0.000 . 1 . . . . . 194 ASN CB . 50771 1 1569 . 1 . 1 161 161 ASN N N 15 118.791 0.015 . 1 . . . . . 194 ASN N . 50771 1 1570 . 1 . 1 162 162 SER H H 1 8.335 0.017 . 1 . . . . . 195 SER H . 50771 1 1571 . 1 . 1 162 162 SER CA C 13 58.500 0.000 . 1 . . . . . 195 SER CA . 50771 1 1572 . 1 . 1 162 162 SER CB C 13 63.856 0.000 . 1 . . . . . 195 SER CB . 50771 1 1573 . 1 . 1 162 162 SER N N 15 116.315 0.004 . 1 . . . . . 195 SER N . 50771 1 1574 . 1 . 1 163 163 THR HA H 1 4.321 0.000 . 1 . . . . . 196 THR HA . 50771 1 1575 . 1 . 1 163 163 THR HB H 1 4.164 0.000 . 1 . . . . . 196 THR HB . 50771 1 1576 . 1 . 1 163 163 THR CA C 13 61.715 0.000 . 1 . . . . . 196 THR CA . 50771 1 1577 . 1 . 1 163 163 THR CB C 13 69.793 0.000 . 1 . . . . . 196 THR CB . 50771 1 1578 . 1 . 1 164 164 ARG HA H 1 4.391 0.000 . 1 . . . . . 197 ARG HA . 50771 1 1579 . 1 . 1 164 164 ARG HB2 H 1 1.908 0.000 . 2 . . . . . 197 ARG HB2 . 50771 1 1580 . 1 . 1 164 164 ARG HB3 H 1 1.805 0.000 . 2 . . . . . 197 ARG HB3 . 50771 1 1581 . 1 . 1 164 164 ARG HG2 H 1 1.676 0.000 . 1 . . . . . 197 ARG HG2 . 50771 1 1582 . 1 . 1 164 164 ARG HG3 H 1 1.676 0.000 . 1 . . . . . 197 ARG HG3 . 50771 1 1583 . 1 . 1 164 164 ARG HD2 H 1 3.238 0.000 . 1 . . . . . 197 ARG HD2 . 50771 1 1584 . 1 . 1 164 164 ARG HD3 H 1 3.238 0.000 . 1 . . . . . 197 ARG HD3 . 50771 1 1585 . 1 . 1 164 164 ARG C C 13 176.734 0.000 . 1 . . . . . 197 ARG C . 50771 1 1586 . 1 . 1 164 164 ARG CA C 13 56.384 0.023 . 1 . . . . . 197 ARG CA . 50771 1 1587 . 1 . 1 164 164 ARG CB C 13 30.764 0.041 . 1 . . . . . 197 ARG CB . 50771 1 1588 . 1 . 1 164 164 ARG CG C 13 27.090 0.000 . 1 . . . . . 197 ARG CG . 50771 1 1589 . 1 . 1 164 164 ARG CD C 13 43.440 0.000 . 1 . . . . . 197 ARG CD . 50771 1 1590 . 1 . 1 165 165 GLY H H 1 8.429 0.001 . 1 . . . . . 198 GLY H . 50771 1 1591 . 1 . 1 165 165 GLY HA2 H 1 4.005 0.000 . 2 . . . . . 198 GLY HA2 . 50771 1 1592 . 1 . 1 165 165 GLY HA3 H 1 4.287 0.000 . 2 . . . . . 198 GLY HA3 . 50771 1 1593 . 1 . 1 165 165 GLY C C 13 174.227 0.000 . 1 . . . . . 198 GLY C . 50771 1 1594 . 1 . 1 165 165 GLY CA C 13 45.201 0.041 . 1 . . . . . 198 GLY CA . 50771 1 1595 . 1 . 1 165 165 GLY N N 15 110.176 0.020 . 1 . . . . . 198 GLY N . 50771 1 1596 . 1 . 1 166 166 THR H H 1 8.086 0.002 . 1 . . . . . 199 THR H . 50771 1 1597 . 1 . 1 166 166 THR HA H 1 4.361 0.000 . 1 . . . . . 199 THR HA . 50771 1 1598 . 1 . 1 166 166 THR HB H 1 4.274 0.000 . 1 . . . . . 199 THR HB . 50771 1 1599 . 1 . 1 166 166 THR HG21 H 1 1.219 0.000 . 1 . . . . . 199 THR HG21 . 50771 1 1600 . 1 . 1 166 166 THR HG22 H 1 1.219 0.000 . 1 . . . . . 199 THR HG22 . 50771 1 1601 . 1 . 1 166 166 THR HG23 H 1 1.219 0.000 . 1 . . . . . 199 THR HG23 . 50771 1 1602 . 1 . 1 166 166 THR C C 13 174.539 0.000 . 1 . . . . . 199 THR C . 50771 1 1603 . 1 . 1 166 166 THR CA C 13 61.595 0.081 . 1 . . . . . 199 THR CA . 50771 1 1604 . 1 . 1 166 166 THR CB C 13 69.791 0.157 . 1 . . . . . 199 THR CB . 50771 1 1605 . 1 . 1 166 166 THR CG2 C 13 21.666 0.000 . 1 . . . . . 199 THR CG2 . 50771 1 1606 . 1 . 1 166 166 THR N N 15 113.254 0.008 . 1 . . . . . 199 THR N . 50771 1 1607 . 1 . 1 167 167 SER H H 1 8.377 0.005 . 1 . . . . . 200 SER H . 50771 1 1608 . 1 . 1 167 167 SER CA C 13 56.597 0.000 . 1 . . . . . 200 SER CA . 50771 1 1609 . 1 . 1 167 167 SER CB C 13 63.469 0.000 . 1 . . . . . 200 SER CB . 50771 1 1610 . 1 . 1 167 167 SER N N 15 119.523 0.091 . 1 . . . . . 200 SER N . 50771 1 1611 . 1 . 1 168 168 PRO HA H 1 4.467 0.000 . 1 . . . . . 201 PRO HA . 50771 1 1612 . 1 . 1 168 168 PRO HB2 H 1 2.264 0.000 . 2 . . . . . 201 PRO HB2 . 50771 1 1613 . 1 . 1 168 168 PRO HB3 H 1 1.990 0.000 . 2 . . . . . 201 PRO HB3 . 50771 1 1614 . 1 . 1 168 168 PRO HG2 H 1 2.040 0.000 . 1 . . . . . 201 PRO HG2 . 50771 1 1615 . 1 . 1 168 168 PRO HG3 H 1 2.040 0.000 . 1 . . . . . 201 PRO HG3 . 50771 1 1616 . 1 . 1 168 168 PRO HD2 H 1 3.733 0.000 . 2 . . . . . 201 PRO HD2 . 50771 1 1617 . 1 . 1 168 168 PRO HD3 H 1 3.796 0.000 . 2 . . . . . 201 PRO HD3 . 50771 1 1618 . 1 . 1 168 168 PRO C C 13 177.058 0.000 . 1 . . . . . 201 PRO C . 50771 1 1619 . 1 . 1 168 168 PRO CA C 13 63.351 0.082 . 1 . . . . . 201 PRO CA . 50771 1 1620 . 1 . 1 168 168 PRO CB C 13 32.187 0.018 . 1 . . . . . 201 PRO CB . 50771 1 1621 . 1 . 1 168 168 PRO CG C 13 27.222 0.000 . 1 . . . . . 201 PRO CG . 50771 1 1622 . 1 . 1 168 168 PRO CD C 13 50.648 0.006 . 1 . . . . . 201 PRO CD . 50771 1 1623 . 1 . 1 169 169 GLY H H 1 8.219 0.003 . 1 . . . . . 202 GLY H . 50771 1 1624 . 1 . 1 169 169 GLY CA C 13 44.417 0.000 . 1 . . . . . 202 GLY CA . 50771 1 1625 . 1 . 1 169 169 GLY N N 15 109.212 0.023 . 1 . . . . . 202 GLY N . 50771 1 stop_ save_