data_19719 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19719 _Entry.Title ; Resonance assignments of the PHIST domain of P. falciparum protein PFI1780w ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-07 _Entry.Accession_date 2014-01-09 _Entry.Last_release_date 2016-05-24 _Entry.Original_release_date 2016-05-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ioannis Vakonakis . . . . 19719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 19719 '15N chemical shifts' 148 19719 '1H chemical shifts' 414 19719 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-24 . original BMRB . 19719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4JLE 'Crystal structure of the same domain' 19719 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19719 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1096/fj.14-256057 _Citation.PubMed_ID 24983468 _Citation.Full_citation . _Citation.Title ; A Plasmodium falciparum PHIST protein binds the virulence factor PfEMP1 and comigrates to knobs on the host cell surface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FASEB J.' _Citation.Journal_name_full 'FASEB journal' _Citation.Journal_volume 28 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0892-6638 _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 4420 _Citation.Page_last 4433 _Citation.Year 2014 _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 Alexander Oberli . . . . 19719 1 2 Leanne Slater . M . . 19719 1 3 Erin Cutts . . . . 19719 1 4 Francoise Brand . . . . 19719 1 5 Esther Mundwiler-Pachlatko . . . . 19719 1 6 Sebastian Rusch . . . . 19719 1 7 Martin Masik . FG . . 19719 1 8 Michele Erat . C . . 19719 1 9 Hans-Peter Beck . . . . 19719 1 10 Ioannis Vakonakis . . . . 19719 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Structural and functional analysis' 19719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19719 _Assembly.ID 1 _Assembly.Name PFI1780w-PHIST _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 PHIST 1 $PFI1780w A . yes native no no . . . 19719 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4JLE . . X-ray 2.35 'Crystal structure of same domain' 'NMR assignments reported for protein residues 98-247. The crystal structure corresponds to residues 85-247.' 19719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PFI1780w _Entity.Sf_category entity _Entity.Sf_framecode PFI1780w _Entity.Entry_ID 19719 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PFI1780w _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 ; GPLGSYTAEEINEMINSSNE FINRNDMNIIFSYVHESERE KFKKVEENIFKFIQSIVETY KIPDEYKMRKFKFAHFEMQG YALKQEKFLLEYAFLSLNGK LCERKKFKEVLEYVKREWIE FRKSMFDVWKEKLASEFREH GEMLNQKRKLKQHEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a cloning artefact' _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 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment PHIST _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8I2F2 . . . . . . . . . . . . . . . . 19719 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Structural protein' 19719 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 19719 1 2 -4 PRO . 19719 1 3 -3 LEU . 19719 1 4 -2 GLY . 19719 1 5 -1 SER . 19719 1 6 98 TYR . 19719 1 7 99 THR . 19719 1 8 100 ALA . 19719 1 9 101 GLU . 19719 1 10 102 GLU . 19719 1 11 103 ILE . 19719 1 12 104 ASN . 19719 1 13 105 GLU . 19719 1 14 106 MET . 19719 1 15 107 ILE . 19719 1 16 108 ASN . 19719 1 17 109 SER . 19719 1 18 110 SER . 19719 1 19 111 ASN . 19719 1 20 112 GLU . 19719 1 21 113 PHE . 19719 1 22 114 ILE . 19719 1 23 115 ASN . 19719 1 24 116 ARG . 19719 1 25 117 ASN . 19719 1 26 118 ASP . 19719 1 27 119 MET . 19719 1 28 120 ASN . 19719 1 29 121 ILE . 19719 1 30 122 ILE . 19719 1 31 123 PHE . 19719 1 32 124 SER . 19719 1 33 125 TYR . 19719 1 34 126 VAL . 19719 1 35 127 HIS . 19719 1 36 128 GLU . 19719 1 37 129 SER . 19719 1 38 130 GLU . 19719 1 39 131 ARG . 19719 1 40 132 GLU . 19719 1 41 133 LYS . 19719 1 42 134 PHE . 19719 1 43 135 LYS . 19719 1 44 136 LYS . 19719 1 45 137 VAL . 19719 1 46 138 GLU . 19719 1 47 139 GLU . 19719 1 48 140 ASN . 19719 1 49 141 ILE . 19719 1 50 142 PHE . 19719 1 51 143 LYS . 19719 1 52 144 PHE . 19719 1 53 145 ILE . 19719 1 54 146 GLN . 19719 1 55 147 SER . 19719 1 56 148 ILE . 19719 1 57 149 VAL . 19719 1 58 150 GLU . 19719 1 59 151 THR . 19719 1 60 152 TYR . 19719 1 61 153 LYS . 19719 1 62 154 ILE . 19719 1 63 155 PRO . 19719 1 64 156 ASP . 19719 1 65 157 GLU . 19719 1 66 158 TYR . 19719 1 67 159 LYS . 19719 1 68 160 MET . 19719 1 69 161 ARG . 19719 1 70 162 LYS . 19719 1 71 163 PHE . 19719 1 72 164 LYS . 19719 1 73 165 PHE . 19719 1 74 166 ALA . 19719 1 75 167 HIS . 19719 1 76 168 PHE . 19719 1 77 169 GLU . 19719 1 78 170 MET . 19719 1 79 171 GLN . 19719 1 80 172 GLY . 19719 1 81 173 TYR . 19719 1 82 174 ALA . 19719 1 83 175 LEU . 19719 1 84 176 LYS . 19719 1 85 177 GLN . 19719 1 86 178 GLU . 19719 1 87 179 LYS . 19719 1 88 180 PHE . 19719 1 89 181 LEU . 19719 1 90 182 LEU . 19719 1 91 183 GLU . 19719 1 92 184 TYR . 19719 1 93 185 ALA . 19719 1 94 186 PHE . 19719 1 95 187 LEU . 19719 1 96 188 SER . 19719 1 97 189 LEU . 19719 1 98 190 ASN . 19719 1 99 191 GLY . 19719 1 100 192 LYS . 19719 1 101 193 LEU . 19719 1 102 194 CYS . 19719 1 103 195 GLU . 19719 1 104 196 ARG . 19719 1 105 197 LYS . 19719 1 106 198 LYS . 19719 1 107 199 PHE . 19719 1 108 200 LYS . 19719 1 109 201 GLU . 19719 1 110 202 VAL . 19719 1 111 203 LEU . 19719 1 112 204 GLU . 19719 1 113 205 TYR . 19719 1 114 206 VAL . 19719 1 115 207 LYS . 19719 1 116 208 ARG . 19719 1 117 209 GLU . 19719 1 118 210 TRP . 19719 1 119 211 ILE . 19719 1 120 212 GLU . 19719 1 121 213 PHE . 19719 1 122 214 ARG . 19719 1 123 215 LYS . 19719 1 124 216 SER . 19719 1 125 217 MET . 19719 1 126 218 PHE . 19719 1 127 219 ASP . 19719 1 128 220 VAL . 19719 1 129 221 TRP . 19719 1 130 222 LYS . 19719 1 131 223 GLU . 19719 1 132 224 LYS . 19719 1 133 225 LEU . 19719 1 134 226 ALA . 19719 1 135 227 SER . 19719 1 136 228 GLU . 19719 1 137 229 PHE . 19719 1 138 230 ARG . 19719 1 139 231 GLU . 19719 1 140 232 HIS . 19719 1 141 233 GLY . 19719 1 142 234 GLU . 19719 1 143 235 MET . 19719 1 144 236 LEU . 19719 1 145 237 ASN . 19719 1 146 238 GLN . 19719 1 147 239 LYS . 19719 1 148 240 ARG . 19719 1 149 241 LYS . 19719 1 150 242 LEU . 19719 1 151 243 LYS . 19719 1 152 244 GLN . 19719 1 153 245 HIS . 19719 1 154 246 GLU . 19719 1 155 247 LEU . 19719 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 19719 1 . PRO 2 2 19719 1 . LEU 3 3 19719 1 . GLY 4 4 19719 1 . SER 5 5 19719 1 . TYR 6 6 19719 1 . THR 7 7 19719 1 . ALA 8 8 19719 1 . GLU 9 9 19719 1 . GLU 10 10 19719 1 . ILE 11 11 19719 1 . ASN 12 12 19719 1 . GLU 13 13 19719 1 . MET 14 14 19719 1 . ILE 15 15 19719 1 . ASN 16 16 19719 1 . SER 17 17 19719 1 . SER 18 18 19719 1 . ASN 19 19 19719 1 . GLU 20 20 19719 1 . PHE 21 21 19719 1 . ILE 22 22 19719 1 . ASN 23 23 19719 1 . ARG 24 24 19719 1 . ASN 25 25 19719 1 . ASP 26 26 19719 1 . MET 27 27 19719 1 . ASN 28 28 19719 1 . ILE 29 29 19719 1 . ILE 30 30 19719 1 . PHE 31 31 19719 1 . SER 32 32 19719 1 . TYR 33 33 19719 1 . VAL 34 34 19719 1 . HIS 35 35 19719 1 . GLU 36 36 19719 1 . SER 37 37 19719 1 . GLU 38 38 19719 1 . ARG 39 39 19719 1 . GLU 40 40 19719 1 . LYS 41 41 19719 1 . PHE 42 42 19719 1 . LYS 43 43 19719 1 . LYS 44 44 19719 1 . VAL 45 45 19719 1 . GLU 46 46 19719 1 . GLU 47 47 19719 1 . ASN 48 48 19719 1 . ILE 49 49 19719 1 . PHE 50 50 19719 1 . LYS 51 51 19719 1 . PHE 52 52 19719 1 . ILE 53 53 19719 1 . GLN 54 54 19719 1 . SER 55 55 19719 1 . ILE 56 56 19719 1 . VAL 57 57 19719 1 . GLU 58 58 19719 1 . THR 59 59 19719 1 . TYR 60 60 19719 1 . LYS 61 61 19719 1 . ILE 62 62 19719 1 . PRO 63 63 19719 1 . ASP 64 64 19719 1 . GLU 65 65 19719 1 . TYR 66 66 19719 1 . LYS 67 67 19719 1 . MET 68 68 19719 1 . ARG 69 69 19719 1 . LYS 70 70 19719 1 . PHE 71 71 19719 1 . LYS 72 72 19719 1 . PHE 73 73 19719 1 . ALA 74 74 19719 1 . HIS 75 75 19719 1 . PHE 76 76 19719 1 . GLU 77 77 19719 1 . MET 78 78 19719 1 . GLN 79 79 19719 1 . GLY 80 80 19719 1 . TYR 81 81 19719 1 . ALA 82 82 19719 1 . LEU 83 83 19719 1 . LYS 84 84 19719 1 . GLN 85 85 19719 1 . GLU 86 86 19719 1 . LYS 87 87 19719 1 . PHE 88 88 19719 1 . LEU 89 89 19719 1 . LEU 90 90 19719 1 . GLU 91 91 19719 1 . TYR 92 92 19719 1 . ALA 93 93 19719 1 . PHE 94 94 19719 1 . LEU 95 95 19719 1 . SER 96 96 19719 1 . LEU 97 97 19719 1 . ASN 98 98 19719 1 . GLY 99 99 19719 1 . LYS 100 100 19719 1 . LEU 101 101 19719 1 . CYS 102 102 19719 1 . GLU 103 103 19719 1 . ARG 104 104 19719 1 . LYS 105 105 19719 1 . LYS 106 106 19719 1 . PHE 107 107 19719 1 . LYS 108 108 19719 1 . GLU 109 109 19719 1 . VAL 110 110 19719 1 . LEU 111 111 19719 1 . GLU 112 112 19719 1 . TYR 113 113 19719 1 . VAL 114 114 19719 1 . LYS 115 115 19719 1 . ARG 116 116 19719 1 . GLU 117 117 19719 1 . TRP 118 118 19719 1 . ILE 119 119 19719 1 . GLU 120 120 19719 1 . PHE 121 121 19719 1 . ARG 122 122 19719 1 . LYS 123 123 19719 1 . SER 124 124 19719 1 . MET 125 125 19719 1 . PHE 126 126 19719 1 . ASP 127 127 19719 1 . VAL 128 128 19719 1 . TRP 129 129 19719 1 . LYS 130 130 19719 1 . GLU 131 131 19719 1 . LYS 132 132 19719 1 . LEU 133 133 19719 1 . ALA 134 134 19719 1 . SER 135 135 19719 1 . GLU 136 136 19719 1 . PHE 137 137 19719 1 . ARG 138 138 19719 1 . GLU 139 139 19719 1 . HIS 140 140 19719 1 . GLY 141 141 19719 1 . GLU 142 142 19719 1 . MET 143 143 19719 1 . LEU 144 144 19719 1 . ASN 145 145 19719 1 . GLN 146 146 19719 1 . LYS 147 147 19719 1 . ARG 148 148 19719 1 . LYS 149 149 19719 1 . LEU 150 150 19719 1 . LYS 151 151 19719 1 . GLN 152 152 19719 1 . HIS 153 153 19719 1 . GLU 154 154 19719 1 . LEU 155 155 19719 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19719 _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 $PFI1780w . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . pfi1780w . 19719 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19719 _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 $PFI1780w . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21(DE3) . . . . . pGEX-6P-2 . . . 19719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19719 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PFI1780w '[U-99% 13C; U-99% 15N]' . . 1 $PFI1780w . protein 0.2 . . mM . . . . 19719 1 2 D2O 'natural abundance' . . . . . solvent 5 . . '% v/v' . . . . 19719 1 3 H2O 'natural abundance' . . . . . solvent 95 . . '% v/v' . . . . 19719 1 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 19719 1 5 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 19719 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 19719 1 7 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19719 1 8 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 19719 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 19719 _Sample_condition_list.ID 1 _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' 110 . mM 19719 1 pH 7 . pH 19719 1 pressure 1 . atm 19719 1 temperature 310.15 . K 19719 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19719 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19719 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19719 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19719 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19719 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19719 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19719 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 19719 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19719 3 'peak picking' 19719 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19719 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker console and inverse TCI cryoprobe installed in Oxford Instruments superconducting magnet' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19719 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Bruker console and inverse TCI cryoprobe installed in Oxford Instruments superconducting magnet' . . 19719 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19719 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19719 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19719 _Chem_shift_reference.ID 1 _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 . . . . . 19719 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19719 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19719 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19719 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Spectrum digital resolution' _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' 1 $sample_1 isotropic 19719 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 19719 1 3 '3D HNCA' 1 $sample_1 isotropic 19719 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 19719 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 19719 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 19719 1 7 '3D HNCO' 1 $sample_1 isotropic 19719 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 $TOPSPIN . . 19719 1 2 $NMRPipe . . 19719 1 3 $PIPP . . 19719 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 PRO HA H 1 4.486 0.02 . 1 . . . . -4 PRO HA . 19719 1 2 . 1 1 2 2 PRO HB2 H 1 2.371 0.02 . 2 . . . . -4 PRO HB1 . 19719 1 3 . 1 1 2 2 PRO HB3 H 1 1.98 0.02 . 2 . . . . -4 PRO HB2 . 19719 1 4 . 1 1 2 2 PRO C C 13 177.18 0.1 . 1 . . . . -4 PRO C . 19719 1 5 . 1 1 2 2 PRO CA C 13 63.86 0.1 . 1 . . . . -4 PRO CA . 19719 1 6 . 1 1 2 2 PRO CB C 13 32.42 0.1 . 1 . . . . -4 PRO CB . 19719 1 7 . 1 1 3 3 LEU H H 1 8.566 0.02 . 1 . . . . -3 LEU HN . 19719 1 8 . 1 1 3 3 LEU HA H 1 4.354 0.02 . 1 . . . . -3 LEU HA . 19719 1 9 . 1 1 3 3 LEU HB2 H 1 1.666 0.02 . 2 . . . . -3 LEU HB1 . 19719 1 10 . 1 1 3 3 LEU HB3 H 1 1.666 0.02 . 2 . . . . -3 LEU HB2 . 19719 1 11 . 1 1 3 3 LEU C C 13 177.76 0.1 . 1 . . . . -3 LEU C . 19719 1 12 . 1 1 3 3 LEU CA C 13 55.9 0.1 . 1 . . . . -3 LEU CA . 19719 1 13 . 1 1 3 3 LEU CB C 13 41.82 0.1 . 1 . . . . -3 LEU CB . 19719 1 14 . 1 1 3 3 LEU N N 15 120.88 0.1 . 1 . . . . -3 LEU N . 19719 1 15 . 1 1 4 4 GLY H H 1 8.137 0.02 . 1 . . . . -2 GLY HN . 19719 1 16 . 1 1 4 4 GLY HA2 H 1 3.972 0.02 . 2 . . . . -2 GLY HA . 19719 1 17 . 1 1 4 4 GLY HA3 H 1 3.972 0.02 . 2 . . . . -2 GLY HA . 19719 1 18 . 1 1 4 4 GLY C C 13 174.05 0.1 . 1 . . . . -2 GLY C . 19719 1 19 . 1 1 4 4 GLY CA C 13 45.4 0.1 . 1 . . . . -2 GLY CA . 19719 1 20 . 1 1 4 4 GLY N N 15 107.9 0.1 . 1 . . . . -2 GLY N . 19719 1 21 . 1 1 5 5 SER H H 1 7.86 0.02 . 1 . . . . -1 SER HN . 19719 1 22 . 1 1 5 5 SER HA H 1 4.513 0.02 . 1 . . . . -1 SER HA . 19719 1 23 . 1 1 5 5 SER HB2 H 1 3.738 0.02 . 2 . . . . -1 SER HB1 . 19719 1 24 . 1 1 5 5 SER HB3 H 1 3.738 0.02 . 2 . . . . -1 SER HB2 . 19719 1 25 . 1 1 5 5 SER C C 13 173.47 0.1 . 1 . . . . -1 SER C . 19719 1 26 . 1 1 5 5 SER CA C 13 58.2 0.1 . 1 . . . . -1 SER CA . 19719 1 27 . 1 1 5 5 SER CB C 13 64.35 0.1 . 1 . . . . -1 SER CB . 19719 1 28 . 1 1 5 5 SER N N 15 115.46 0.1 . 1 . . . . -1 SER N . 19719 1 29 . 1 1 6 6 TYR H H 1 8.117 0.02 . 1 . . . . 98 TYR HN . 19719 1 30 . 1 1 6 6 TYR HA H 1 4.83 0.02 . 1 . . . . 98 TYR HA . 19719 1 31 . 1 1 6 6 TYR C C 13 176.18 0.1 . 1 . . . . 98 TYR C . 19719 1 32 . 1 1 6 6 TYR CA C 13 57.92 0.1 . 1 . . . . 98 TYR CA . 19719 1 33 . 1 1 6 6 TYR CB C 13 41.34 0.1 . 1 . . . . 98 TYR CB . 19719 1 34 . 1 1 6 6 TYR N N 15 121.15 0.1 . 1 . . . . 98 TYR N . 19719 1 35 . 1 1 7 7 THR H H 1 8.848 0.02 . 1 . . . . 99 THR HN . 19719 1 36 . 1 1 7 7 THR C C 13 175.07 0.1 . 1 . . . . 99 THR C . 19719 1 37 . 1 1 7 7 THR CA C 13 60.12 0.1 . 1 . . . . 99 THR CA . 19719 1 38 . 1 1 7 7 THR CB C 13 71.61 0.1 . 1 . . . . 99 THR CB . 19719 1 39 . 1 1 7 7 THR N N 15 112.8 0.1 . 1 . . . . 99 THR N . 19719 1 40 . 1 1 8 8 ALA H H 1 8.761 0.02 . 1 . . . . 100 ALA HN . 19719 1 41 . 1 1 8 8 ALA HA H 1 3.731 0.02 . 1 . . . . 100 ALA HA . 19719 1 42 . 1 1 8 8 ALA HB1 H 1 1.475 0.02 . 1 . . . . 100 ALA HB1 . 19719 1 43 . 1 1 8 8 ALA HB2 H 1 1.475 0.02 . 1 . . . . 100 ALA HB1 . 19719 1 44 . 1 1 8 8 ALA HB3 H 1 1.475 0.02 . 1 . . . . 100 ALA HB1 . 19719 1 45 . 1 1 8 8 ALA C C 13 180.41 0.1 . 1 . . . . 100 ALA C . 19719 1 46 . 1 1 8 8 ALA CA C 13 55.52 0.1 . 1 . . . . 100 ALA CA . 19719 1 47 . 1 1 8 8 ALA CB C 13 18.21 0.1 . 1 . . . . 100 ALA CB . 19719 1 48 . 1 1 8 8 ALA N N 15 123.2 0.1 . 1 . . . . 100 ALA N . 19719 1 49 . 1 1 9 9 GLU H H 1 8.581 0.02 . 1 . . . . 101 GLU HN . 19719 1 50 . 1 1 9 9 GLU HA H 1 4.009 0.02 . 1 . . . . 101 GLU HA . 19719 1 51 . 1 1 9 9 GLU HB2 H 1 2.026 0.02 . 2 . . . . 101 GLU HB1 . 19719 1 52 . 1 1 9 9 GLU HB3 H 1 2.026 0.02 . 2 . . . . 101 GLU HB2 . 19719 1 53 . 1 1 9 9 GLU C C 13 179.27 0.1 . 1 . . . . 101 GLU C . 19719 1 54 . 1 1 9 9 GLU CA C 13 60.32 0.1 . 1 . . . . 101 GLU CA . 19719 1 55 . 1 1 9 9 GLU CB C 13 29.12 0.1 . 1 . . . . 101 GLU CB . 19719 1 56 . 1 1 9 9 GLU N N 15 116.92 0.1 . 1 . . . . 101 GLU N . 19719 1 57 . 1 1 10 10 GLU H H 1 7.774 0.02 . 1 . . . . 102 GLU HN . 19719 1 58 . 1 1 10 10 GLU HA H 1 3.991 0.02 . 1 . . . . 102 GLU HA . 19719 1 59 . 1 1 10 10 GLU C C 13 179.74 0.1 . 1 . . . . 102 GLU C . 19719 1 60 . 1 1 10 10 GLU CA C 13 59.36 0.1 . 1 . . . . 102 GLU CA . 19719 1 61 . 1 1 10 10 GLU CB C 13 30.36 0.1 . 1 . . . . 102 GLU CB . 19719 1 62 . 1 1 10 10 GLU N N 15 121.13 0.1 . 1 . . . . 102 GLU N . 19719 1 63 . 1 1 11 11 ILE H H 1 7.821 0.02 . 1 . . . . 103 ILE HN . 19719 1 64 . 1 1 11 11 ILE HA H 1 3.612 0.02 . 1 . . . . 103 ILE HA . 19719 1 65 . 1 1 11 11 ILE C C 13 178.33 0.1 . 1 . . . . 103 ILE C . 19719 1 66 . 1 1 11 11 ILE CA C 13 62.02 0.1 . 1 . . . . 103 ILE CA . 19719 1 67 . 1 1 11 11 ILE N N 15 120.96 0.1 . 1 . . . . 103 ILE N . 19719 1 68 . 1 1 12 12 ASN H H 1 8.244 0.02 . 1 . . . . 104 ASN HN . 19719 1 69 . 1 1 12 12 ASN HA H 1 4.345 0.02 . 1 . . . . 104 ASN HA . 19719 1 70 . 1 1 12 12 ASN HB2 H 1 2.791 0.02 . 2 . . . . 104 ASN HB1 . 19719 1 71 . 1 1 12 12 ASN HB3 H 1 2.791 0.02 . 2 . . . . 104 ASN HB2 . 19719 1 72 . 1 1 12 12 ASN C C 13 177.85 0.1 . 1 . . . . 104 ASN C . 19719 1 73 . 1 1 12 12 ASN CA C 13 56.81 0.1 . 1 . . . . 104 ASN CA . 19719 1 74 . 1 1 12 12 ASN CB C 13 38.21 0.1 . 1 . . . . 104 ASN CB . 19719 1 75 . 1 1 12 12 ASN N N 15 118.87 0.1 . 1 . . . . 104 ASN N . 19719 1 76 . 1 1 13 13 GLU H H 1 7.913 0.02 . 1 . . . . 105 GLU HN . 19719 1 77 . 1 1 13 13 GLU HA H 1 4.007 0.02 . 1 . . . . 105 GLU HA . 19719 1 78 . 1 1 13 13 GLU HB2 H 1 2.099 0.02 . 2 . . . . 105 GLU HB1 . 19719 1 79 . 1 1 13 13 GLU HB3 H 1 2.099 0.02 . 2 . . . . 105 GLU HB2 . 19719 1 80 . 1 1 13 13 GLU C C 13 178.84 0.1 . 1 . . . . 105 GLU C . 19719 1 81 . 1 1 13 13 GLU CA C 13 59.12 0.1 . 1 . . . . 105 GLU CA . 19719 1 82 . 1 1 13 13 GLU CB C 13 29.32 0.1 . 1 . . . . 105 GLU CB . 19719 1 83 . 1 1 13 13 GLU N N 15 119.55 0.1 . 1 . . . . 105 GLU N . 19719 1 84 . 1 1 14 14 MET H H 1 7.625 0.02 . 1 . . . . 106 MET HN . 19719 1 85 . 1 1 14 14 MET HA H 1 4.045 0.02 . 1 . . . . 106 MET HA . 19719 1 86 . 1 1 14 14 MET C C 13 179.19 0.1 . 1 . . . . 106 MET C . 19719 1 87 . 1 1 14 14 MET CA C 13 59.14 0.1 . 1 . . . . 106 MET CA . 19719 1 88 . 1 1 14 14 MET CB C 13 34.66 0.1 . 1 . . . . 106 MET CB . 19719 1 89 . 1 1 14 14 MET N N 15 118.3 0.1 . 1 . . . . 106 MET N . 19719 1 90 . 1 1 15 15 ILE H H 1 8.196 0.02 . 1 . . . . 107 ILE HN . 19719 1 91 . 1 1 15 15 ILE HA H 1 3.41 0.02 . 1 . . . . 107 ILE HA . 19719 1 92 . 1 1 15 15 ILE C C 13 177.14 0.1 . 1 . . . . 107 ILE C . 19719 1 93 . 1 1 15 15 ILE CA C 13 66.33 0.1 . 1 . . . . 107 ILE CA . 19719 1 94 . 1 1 15 15 ILE CB C 13 38.59 0.1 . 1 . . . . 107 ILE CB . 19719 1 95 . 1 1 15 15 ILE N N 15 119.68 0.1 . 1 . . . . 107 ILE N . 19719 1 96 . 1 1 16 16 ASN H H 1 7.735 0.02 . 1 . . . . 108 ASN HN . 19719 1 97 . 1 1 16 16 ASN HA H 1 4.729 0.02 . 1 . . . . 108 ASN HA . 19719 1 98 . 1 1 16 16 ASN HB2 H 1 2.939 0.02 . 2 . . . . 108 ASN HB1 . 19719 1 99 . 1 1 16 16 ASN HB3 H 1 2.611 0.02 . 2 . . . . 108 ASN HB2 . 19719 1 100 . 1 1 16 16 ASN C C 13 174.21 0.1 . 1 . . . . 108 ASN C . 19719 1 101 . 1 1 16 16 ASN CA C 13 53.76 0.1 . 1 . . . . 108 ASN CA . 19719 1 102 . 1 1 16 16 ASN CB C 13 38.81 0.1 . 1 . . . . 108 ASN CB . 19719 1 103 . 1 1 16 16 ASN N N 15 114.49 0.1 . 1 . . . . 108 ASN N . 19719 1 104 . 1 1 17 17 SER H H 1 6.773 0.02 . 1 . . . . 109 SER HN . 19719 1 105 . 1 1 17 17 SER C C 13 174.75 0.1 . 1 . . . . 109 SER C . 19719 1 106 . 1 1 17 17 SER CA C 13 58.51 0.1 . 1 . . . . 109 SER CA . 19719 1 107 . 1 1 17 17 SER CB C 13 63.97 0.1 . 1 . . . . 109 SER CB . 19719 1 108 . 1 1 17 17 SER N N 15 114.42 0.1 . 1 . . . . 109 SER N . 19719 1 109 . 1 1 18 18 SER H H 1 8.421 0.02 . 1 . . . . 110 SER HN . 19719 1 110 . 1 1 18 18 SER HA H 1 4.333 0.02 . 1 . . . . 110 SER HA . 19719 1 111 . 1 1 18 18 SER HB2 H 1 3.997 0.02 . 2 . . . . 110 SER HB1 . 19719 1 112 . 1 1 18 18 SER HB3 H 1 3.997 0.02 . 2 . . . . 110 SER HB2 . 19719 1 113 . 1 1 18 18 SER C C 13 174.83 0.1 . 1 . . . . 110 SER C . 19719 1 114 . 1 1 18 18 SER CA C 13 58.81 0.1 . 1 . . . . 110 SER CA . 19719 1 115 . 1 1 18 18 SER CB C 13 63.48 0.1 . 1 . . . . 110 SER CB . 19719 1 116 . 1 1 18 18 SER N N 15 119.4 0.1 . 1 . . . . 110 SER N . 19719 1 117 . 1 1 19 19 ASN H H 1 8.009 0.02 . 1 . . . . 111 ASN HN . 19719 1 118 . 1 1 19 19 ASN C C 13 176.48 0.1 . 1 . . . . 111 ASN C . 19719 1 119 . 1 1 19 19 ASN CA C 13 53.98 0.1 . 1 . . . . 111 ASN CA . 19719 1 120 . 1 1 19 19 ASN CB C 13 38.6 0.1 . 1 . . . . 111 ASN CB . 19719 1 121 . 1 1 19 19 ASN N N 15 122.64 0.1 . 1 . . . . 111 ASN N . 19719 1 122 . 1 1 20 20 GLU H H 1 8.972 0.02 . 1 . . . . 112 GLU HN . 19719 1 123 . 1 1 20 20 GLU HA H 1 3.895 0.02 . 1 . . . . 112 GLU HA . 19719 1 124 . 1 1 20 20 GLU HB2 H 1 1.697 0.02 . 2 . . . . 112 GLU HB1 . 19719 1 125 . 1 1 20 20 GLU HB3 H 1 1.923 0.02 . 2 . . . . 112 GLU HB2 . 19719 1 126 . 1 1 20 20 GLU C C 13 176.35 0.1 . 1 . . . . 112 GLU C . 19719 1 127 . 1 1 20 20 GLU CA C 13 59.38 0.1 . 1 . . . . 112 GLU CA . 19719 1 128 . 1 1 20 20 GLU CB C 13 30.25 0.1 . 1 . . . . 112 GLU CB . 19719 1 129 . 1 1 20 20 GLU N N 15 126.28 0.1 . 1 . . . . 112 GLU N . 19719 1 130 . 1 1 21 21 PHE H H 1 8.446 0.02 . 1 . . . . 113 PHE HN . 19719 1 131 . 1 1 21 21 PHE HA H 1 5.392 0.02 . 1 . . . . 113 PHE HA . 19719 1 132 . 1 1 21 21 PHE C C 13 174.46 0.1 . 1 . . . . 113 PHE C . 19719 1 133 . 1 1 21 21 PHE CA C 13 56.51 0.1 . 1 . . . . 113 PHE CA . 19719 1 134 . 1 1 21 21 PHE CB C 13 42.68 0.1 . 1 . . . . 113 PHE CB . 19719 1 135 . 1 1 21 21 PHE N N 15 116.93 0.1 . 1 . . . . 113 PHE N . 19719 1 136 . 1 1 22 22 ILE H H 1 9.359 0.02 . 1 . . . . 114 ILE HN . 19719 1 137 . 1 1 22 22 ILE HA H 1 4.778 0.02 . 1 . . . . 114 ILE HA . 19719 1 138 . 1 1 22 22 ILE C C 13 172.63 0.1 . 1 . . . . 114 ILE C . 19719 1 139 . 1 1 22 22 ILE CA C 13 58.97 0.1 . 1 . . . . 114 ILE CA . 19719 1 140 . 1 1 22 22 ILE CB C 13 43.01 0.1 . 1 . . . . 114 ILE CB . 19719 1 141 . 1 1 22 22 ILE N N 15 121.26 0.1 . 1 . . . . 114 ILE N . 19719 1 142 . 1 1 23 23 ASN H H 1 8.813 0.02 . 1 . . . . 115 ASN HN . 19719 1 143 . 1 1 23 23 ASN C C 13 175.79 0.1 . 1 . . . . 115 ASN C . 19719 1 144 . 1 1 23 23 ASN CA C 13 51.9 0.1 . 1 . . . . 115 ASN CA . 19719 1 145 . 1 1 23 23 ASN CB C 13 39.76 0.1 . 1 . . . . 115 ASN CB . 19719 1 146 . 1 1 23 23 ASN N N 15 125.79 0.1 . 1 . . . . 115 ASN N . 19719 1 147 . 1 1 24 24 ARG H H 1 8.066 0.02 . 1 . . . . 116 ARG HN . 19719 1 148 . 1 1 24 24 ARG HA H 1 4.002 0.02 . 1 . . . . 116 ARG HA . 19719 1 149 . 1 1 24 24 ARG C C 13 177.52 0.1 . 1 . . . . 116 ARG C . 19719 1 150 . 1 1 24 24 ARG CA C 13 59.2 0.1 . 1 . . . . 116 ARG CA . 19719 1 151 . 1 1 24 24 ARG CB C 13 29.99 0.1 . 1 . . . . 116 ARG CB . 19719 1 152 . 1 1 24 24 ARG N N 15 119.39 0.1 . 1 . . . . 116 ARG N . 19719 1 153 . 1 1 25 25 ASN H H 1 8.393 0.02 . 1 . . . . 117 ASN HN . 19719 1 154 . 1 1 25 25 ASN HA H 1 4.416 0.02 . 1 . . . . 117 ASN HA . 19719 1 155 . 1 1 25 25 ASN HB2 H 1 2.77 0.02 . 2 . . . . 117 ASN HB1 . 19719 1 156 . 1 1 25 25 ASN HB3 H 1 2.77 0.02 . 2 . . . . 117 ASN HB2 . 19719 1 157 . 1 1 25 25 ASN C C 13 177.34 0.1 . 1 . . . . 117 ASN C . 19719 1 158 . 1 1 25 25 ASN CA C 13 57.07 0.1 . 1 . . . . 117 ASN CA . 19719 1 159 . 1 1 25 25 ASN CB C 13 38.56 0.1 . 1 . . . . 117 ASN CB . 19719 1 160 . 1 1 25 25 ASN N N 15 118.26 0.1 . 1 . . . . 117 ASN N . 19719 1 161 . 1 1 26 26 ASP H H 1 8.331 0.02 . 1 . . . . 118 ASP HN . 19719 1 162 . 1 1 26 26 ASP HA H 1 4.288 0.02 . 1 . . . . 118 ASP HA . 19719 1 163 . 1 1 26 26 ASP C C 13 178.58 0.1 . 1 . . . . 118 ASP C . 19719 1 164 . 1 1 26 26 ASP CA C 13 57.17 0.1 . 1 . . . . 118 ASP CA . 19719 1 165 . 1 1 26 26 ASP CB C 13 39.29 0.1 . 1 . . . . 118 ASP CB . 19719 1 166 . 1 1 26 26 ASP N N 15 120.54 0.1 . 1 . . . . 118 ASP N . 19719 1 167 . 1 1 27 27 MET H H 1 7.992 0.02 . 1 . . . . 119 MET HN . 19719 1 168 . 1 1 27 27 MET HA H 1 3.438 0.02 . 1 . . . . 119 MET HA . 19719 1 169 . 1 1 27 27 MET C C 13 177.37 0.1 . 1 . . . . 119 MET C . 19719 1 170 . 1 1 27 27 MET CA C 13 60.78 0.1 . 1 . . . . 119 MET CA . 19719 1 171 . 1 1 27 27 MET N N 15 117.41 0.1 . 1 . . . . 119 MET N . 19719 1 172 . 1 1 28 28 ASN H H 1 8.37 0.02 . 1 . . . . 120 ASN HN . 19719 1 173 . 1 1 28 28 ASN HA H 1 3.876 0.02 . 1 . . . . 120 ASN HA . 19719 1 174 . 1 1 28 28 ASN C C 13 178.96 0.1 . 1 . . . . 120 ASN C . 19719 1 175 . 1 1 28 28 ASN CA C 13 56.64 0.1 . 1 . . . . 120 ASN CA . 19719 1 176 . 1 1 28 28 ASN CB C 13 38.26 0.1 . 1 . . . . 120 ASN CB . 19719 1 177 . 1 1 28 28 ASN N N 15 116.73 0.1 . 1 . . . . 120 ASN N . 19719 1 178 . 1 1 29 29 ILE H H 1 7.992 0.02 . 1 . . . . 121 ILE HN . 19719 1 179 . 1 1 29 29 ILE HA H 1 3.701 0.02 . 1 . . . . 121 ILE HA . 19719 1 180 . 1 1 29 29 ILE C C 13 178.34 0.1 . 1 . . . . 121 ILE C . 19719 1 181 . 1 1 29 29 ILE CA C 13 65.48 0.1 . 1 . . . . 121 ILE CA . 19719 1 182 . 1 1 29 29 ILE N N 15 122.73 0.1 . 1 . . . . 121 ILE N . 19719 1 183 . 1 1 30 30 ILE H H 1 8.146 0.02 . 1 . . . . 122 ILE HN . 19719 1 184 . 1 1 30 30 ILE HA H 1 3.566 0.02 . 1 . . . . 122 ILE HA . 19719 1 185 . 1 1 30 30 ILE C C 13 178.35 0.1 . 1 . . . . 122 ILE C . 19719 1 186 . 1 1 30 30 ILE CA C 13 66.29 0.1 . 1 . . . . 122 ILE CA . 19719 1 187 . 1 1 30 30 ILE N N 15 119.72 0.1 . 1 . . . . 122 ILE N . 19719 1 188 . 1 1 31 31 PHE H H 1 9.098 0.02 . 1 . . . . 123 PHE HN . 19719 1 189 . 1 1 31 31 PHE HA H 1 4.29 0.02 . 1 . . . . 123 PHE HA . 19719 1 190 . 1 1 31 31 PHE C C 13 177.66 0.1 . 1 . . . . 123 PHE C . 19719 1 191 . 1 1 31 31 PHE CA C 13 62.11 0.1 . 1 . . . . 123 PHE CA . 19719 1 192 . 1 1 31 31 PHE CB C 13 38.04 0.1 . 1 . . . . 123 PHE CB . 19719 1 193 . 1 1 31 31 PHE N N 15 116.4 0.1 . 1 . . . . 123 PHE N . 19719 1 194 . 1 1 32 32 SER H H 1 8.359 0.02 . 1 . . . . 124 SER HN . 19719 1 195 . 1 1 32 32 SER C C 13 176.56 0.1 . 1 . . . . 124 SER C . 19719 1 196 . 1 1 32 32 SER CA C 13 62.67 0.1 . 1 . . . . 124 SER CA . 19719 1 197 . 1 1 32 32 SER N N 15 114.18 0.1 . 1 . . . . 124 SER N . 19719 1 198 . 1 1 33 33 TYR H H 1 8.095 0.02 . 1 . . . . 125 TYR HN . 19719 1 199 . 1 1 33 33 TYR HA H 1 3.988 0.02 . 1 . . . . 125 TYR HA . 19719 1 200 . 1 1 33 33 TYR C C 13 178.32 0.1 . 1 . . . . 125 TYR C . 19719 1 201 . 1 1 33 33 TYR CA C 13 62.21 0.1 . 1 . . . . 125 TYR CA . 19719 1 202 . 1 1 33 33 TYR N N 15 123.47 0.1 . 1 . . . . 125 TYR N . 19719 1 203 . 1 1 34 34 VAL H H 1 8.764 0.02 . 1 . . . . 126 VAL HN . 19719 1 204 . 1 1 34 34 VAL HA H 1 3.555 0.02 . 1 . . . . 126 VAL HA . 19719 1 205 . 1 1 34 34 VAL C C 13 178.19 0.1 . 1 . . . . 126 VAL C . 19719 1 206 . 1 1 34 34 VAL CA C 13 66.86 0.1 . 1 . . . . 126 VAL CA . 19719 1 207 . 1 1 34 34 VAL CB C 13 31.8 0.1 . 1 . . . . 126 VAL CB . 19719 1 208 . 1 1 34 34 VAL N N 15 121.83 0.1 . 1 . . . . 126 VAL N . 19719 1 209 . 1 1 35 35 HIS H H 1 8.775 0.02 . 1 . . . . 127 HIS HN . 19719 1 210 . 1 1 35 35 HIS HA H 1 4.255 0.02 . 1 . . . . 127 HIS HA . 19719 1 211 . 1 1 35 35 HIS C C 13 178.16 0.1 . 1 . . . . 127 HIS C . 19719 1 212 . 1 1 35 35 HIS CA C 13 60.37 0.1 . 1 . . . . 127 HIS CA . 19719 1 213 . 1 1 35 35 HIS N N 15 118.61 0.1 . 1 . . . . 127 HIS N . 19719 1 214 . 1 1 36 36 GLU H H 1 8.086 0.02 . 1 . . . . 128 GLU HN . 19719 1 215 . 1 1 36 36 GLU HA H 1 3.945 0.02 . 1 . . . . 128 GLU HA . 19719 1 216 . 1 1 36 36 GLU C C 13 179.26 0.1 . 1 . . . . 128 GLU C . 19719 1 217 . 1 1 36 36 GLU CA C 13 60.3 0.1 . 1 . . . . 128 GLU CA . 19719 1 218 . 1 1 36 36 GLU CB C 13 29.37 0.1 . 1 . . . . 128 GLU CB . 19719 1 219 . 1 1 36 36 GLU N N 15 119.33 0.1 . 1 . . . . 128 GLU N . 19719 1 220 . 1 1 37 37 SER H H 1 8.023 0.02 . 1 . . . . 129 SER HN . 19719 1 221 . 1 1 37 37 SER HA H 1 4.045 0.02 . 1 . . . . 129 SER HA . 19719 1 222 . 1 1 37 37 SER HB2 H 1 3.752 0.02 . 2 . . . . 129 SER HB1 . 19719 1 223 . 1 1 37 37 SER HB3 H 1 3.752 0.02 . 2 . . . . 129 SER HB2 . 19719 1 224 . 1 1 37 37 SER C C 13 177.86 0.1 . 1 . . . . 129 SER C . 19719 1 225 . 1 1 37 37 SER CA C 13 61.41 0.1 . 1 . . . . 129 SER CA . 19719 1 226 . 1 1 37 37 SER CB C 13 62.82 0.1 . 1 . . . . 129 SER CB . 19719 1 227 . 1 1 37 37 SER N N 15 115.14 0.1 . 1 . . . . 129 SER N . 19719 1 228 . 1 1 38 38 GLU H H 1 8.425 0.02 . 1 . . . . 130 GLU HN . 19719 1 229 . 1 1 38 38 GLU HA H 1 3.729 0.02 . 1 . . . . 130 GLU HA . 19719 1 230 . 1 1 38 38 GLU C C 13 180.16 0.1 . 1 . . . . 130 GLU C . 19719 1 231 . 1 1 38 38 GLU CA C 13 58.6 0.1 . 1 . . . . 130 GLU CA . 19719 1 232 . 1 1 38 38 GLU N N 15 121.73 0.1 . 1 . . . . 130 GLU N . 19719 1 233 . 1 1 39 39 ARG H H 1 8.279 0.02 . 1 . . . . 131 ARG HN . 19719 1 234 . 1 1 39 39 ARG HA H 1 3.798 0.02 . 1 . . . . 131 ARG HA . 19719 1 235 . 1 1 39 39 ARG C C 13 180.32 0.1 . 1 . . . . 131 ARG C . 19719 1 236 . 1 1 39 39 ARG CA C 13 60.22 0.1 . 1 . . . . 131 ARG CA . 19719 1 237 . 1 1 39 39 ARG CB C 13 29.78 0.1 . 1 . . . . 131 ARG CB . 19719 1 238 . 1 1 39 39 ARG N N 15 122.06 0.1 . 1 . . . . 131 ARG N . 19719 1 239 . 1 1 40 40 GLU H H 1 7.783 0.02 . 1 . . . . 132 GLU HN . 19719 1 240 . 1 1 40 40 GLU HA H 1 4.125 0.02 . 1 . . . . 132 GLU HA . 19719 1 241 . 1 1 40 40 GLU HB2 H 1 2.154 0.02 . 2 . . . . 132 GLU HB1 . 19719 1 242 . 1 1 40 40 GLU HB3 H 1 2.154 0.02 . 2 . . . . 132 GLU HB2 . 19719 1 243 . 1 1 40 40 GLU C C 13 179.82 0.1 . 1 . . . . 132 GLU C . 19719 1 244 . 1 1 40 40 GLU CA C 13 59.62 0.1 . 1 . . . . 132 GLU CA . 19719 1 245 . 1 1 40 40 GLU CB C 13 29.01 0.1 . 1 . . . . 132 GLU CB . 19719 1 246 . 1 1 40 40 GLU N N 15 121.44 0.1 . 1 . . . . 132 GLU N . 19719 1 247 . 1 1 41 41 LYS H H 1 7.618 0.02 . 1 . . . . 133 LYS HN . 19719 1 248 . 1 1 41 41 LYS HA H 1 4.03 0.02 . 1 . . . . 133 LYS HA . 19719 1 249 . 1 1 41 41 LYS C C 13 179.83 0.1 . 1 . . . . 133 LYS C . 19719 1 250 . 1 1 41 41 LYS CA C 13 59.61 0.1 . 1 . . . . 133 LYS CA . 19719 1 251 . 1 1 41 41 LYS N N 15 118.92 0.1 . 1 . . . . 133 LYS N . 19719 1 252 . 1 1 42 42 PHE H H 1 8.241 0.02 . 1 . . . . 134 PHE HN . 19719 1 253 . 1 1 42 42 PHE HA H 1 3.392 0.02 . 1 . . . . 134 PHE HA . 19719 1 254 . 1 1 42 42 PHE C C 13 176.35 0.1 . 1 . . . . 134 PHE C . 19719 1 255 . 1 1 42 42 PHE CA C 13 61.42 0.1 . 1 . . . . 134 PHE CA . 19719 1 256 . 1 1 42 42 PHE CB C 13 38.44 0.1 . 1 . . . . 134 PHE CB . 19719 1 257 . 1 1 42 42 PHE N N 15 120.47 0.1 . 1 . . . . 134 PHE N . 19719 1 258 . 1 1 43 43 LYS H H 1 7.701 0.02 . 1 . . . . 135 LYS HN . 19719 1 259 . 1 1 43 43 LYS HA H 1 3.96 0.02 . 1 . . . . 135 LYS HA . 19719 1 260 . 1 1 43 43 LYS HB2 H 1 1.98 0.02 . 2 . . . . 135 LYS HB1 . 19719 1 261 . 1 1 43 43 LYS HB3 H 1 1.98 0.02 . 2 . . . . 135 LYS HB2 . 19719 1 262 . 1 1 43 43 LYS C C 13 178.99 0.1 . 1 . . . . 135 LYS C . 19719 1 263 . 1 1 43 43 LYS CA C 13 60.07 0.1 . 1 . . . . 135 LYS CA . 19719 1 264 . 1 1 43 43 LYS CB C 13 32.01 0.1 . 1 . . . . 135 LYS CB . 19719 1 265 . 1 1 43 43 LYS N N 15 119.64 0.1 . 1 . . . . 135 LYS N . 19719 1 266 . 1 1 44 44 LYS H H 1 7.176 0.02 . 1 . . . . 136 LYS HN . 19719 1 267 . 1 1 44 44 LYS HA H 1 4.051 0.02 . 1 . . . . 136 LYS HA . 19719 1 268 . 1 1 44 44 LYS HB2 H 1 1.891 0.02 . 2 . . . . 136 LYS HB1 . 19719 1 269 . 1 1 44 44 LYS HB3 H 1 1.891 0.02 . 2 . . . . 136 LYS HB2 . 19719 1 270 . 1 1 44 44 LYS C C 13 178.54 0.1 . 1 . . . . 136 LYS C . 19719 1 271 . 1 1 44 44 LYS CA C 13 58.09 0.1 . 1 . . . . 136 LYS CA . 19719 1 272 . 1 1 44 44 LYS CB C 13 31.61 0.1 . 1 . . . . 136 LYS CB . 19719 1 273 . 1 1 44 44 LYS N N 15 117.05 0.1 . 1 . . . . 136 LYS N . 19719 1 274 . 1 1 45 45 VAL H H 1 7.152 0.02 . 1 . . . . 137 VAL HN . 19719 1 275 . 1 1 45 45 VAL HA H 1 3.591 0.02 . 1 . . . . 137 VAL HA . 19719 1 276 . 1 1 45 45 VAL C C 13 177.75 0.1 . 1 . . . . 137 VAL C . 19719 1 277 . 1 1 45 45 VAL CA C 13 66.54 0.1 . 1 . . . . 137 VAL CA . 19719 1 278 . 1 1 45 45 VAL CB C 13 30.82 0.1 . 1 . . . . 137 VAL CB . 19719 1 279 . 1 1 45 45 VAL N N 15 120.53 0.1 . 1 . . . . 137 VAL N . 19719 1 280 . 1 1 46 46 GLU H H 1 7.438 0.02 . 1 . . . . 138 GLU HN . 19719 1 281 . 1 1 46 46 GLU HA H 1 3.165 0.02 . 1 . . . . 138 GLU HA . 19719 1 282 . 1 1 46 46 GLU HB2 H 1 1.764 0.02 . 2 . . . . 138 GLU HB1 . 19719 1 283 . 1 1 46 46 GLU HB3 H 1 1.764 0.02 . 2 . . . . 138 GLU HB2 . 19719 1 284 . 1 1 46 46 GLU C C 13 176.91 0.1 . 1 . . . . 138 GLU C . 19719 1 285 . 1 1 46 46 GLU CA C 13 60.28 0.1 . 1 . . . . 138 GLU CA . 19719 1 286 . 1 1 46 46 GLU CB C 13 29.53 0.1 . 1 . . . . 138 GLU CB . 19719 1 287 . 1 1 46 46 GLU N N 15 118.2 0.1 . 1 . . . . 138 GLU N . 19719 1 288 . 1 1 47 47 GLU H H 1 7.696 0.02 . 1 . . . . 139 GLU HN . 19719 1 289 . 1 1 47 47 GLU HA H 1 3.803 0.02 . 1 . . . . 139 GLU HA . 19719 1 290 . 1 1 47 47 GLU HB2 H 1 2.081 0.02 . 2 . . . . 139 GLU HB1 . 19719 1 291 . 1 1 47 47 GLU HB3 H 1 2.081 0.02 . 2 . . . . 139 GLU HB2 . 19719 1 292 . 1 1 47 47 GLU C C 13 179.21 0.1 . 1 . . . . 139 GLU C . 19719 1 293 . 1 1 47 47 GLU CA C 13 59.67 0.1 . 1 . . . . 139 GLU CA . 19719 1 294 . 1 1 47 47 GLU CB C 13 29.7 0.1 . 1 . . . . 139 GLU CB . 19719 1 295 . 1 1 47 47 GLU N N 15 116.27 0.1 . 1 . . . . 139 GLU N . 19719 1 296 . 1 1 48 48 ASN H H 1 8.079 0.02 . 1 . . . . 140 ASN HN . 19719 1 297 . 1 1 48 48 ASN HA H 1 4.59 0.02 . 1 . . . . 140 ASN HA . 19719 1 298 . 1 1 48 48 ASN HB2 H 1 3.068 0.02 . 2 . . . . 140 ASN HB1 . 19719 1 299 . 1 1 48 48 ASN HB3 H 1 2.83 0.02 . 2 . . . . 140 ASN HB2 . 19719 1 300 . 1 1 48 48 ASN C C 13 179.17 0.1 . 1 . . . . 140 ASN C . 19719 1 301 . 1 1 48 48 ASN CA C 13 56.05 0.1 . 1 . . . . 140 ASN CA . 19719 1 302 . 1 1 48 48 ASN CB C 13 38.09 0.1 . 1 . . . . 140 ASN CB . 19719 1 303 . 1 1 48 48 ASN N N 15 118.48 0.1 . 1 . . . . 140 ASN N . 19719 1 304 . 1 1 49 49 ILE H H 1 8.398 0.02 . 1 . . . . 141 ILE HN . 19719 1 305 . 1 1 49 49 ILE HA H 1 3.488 0.02 . 1 . . . . 141 ILE HA . 19719 1 306 . 1 1 49 49 ILE C C 13 177.69 0.1 . 1 . . . . 141 ILE C . 19719 1 307 . 1 1 49 49 ILE CA C 13 66.75 0.1 . 1 . . . . 141 ILE CA . 19719 1 308 . 1 1 49 49 ILE N N 15 123.82 0.1 . 1 . . . . 141 ILE N . 19719 1 309 . 1 1 50 50 PHE H H 1 8.396 0.02 . 1 . . . . 142 PHE HN . 19719 1 310 . 1 1 50 50 PHE HA H 1 4.035 0.02 . 1 . . . . 142 PHE HA . 19719 1 311 . 1 1 50 50 PHE C C 13 179.7 0.1 . 1 . . . . 142 PHE C . 19719 1 312 . 1 1 50 50 PHE CA C 13 61.12 0.1 . 1 . . . . 142 PHE CA . 19719 1 313 . 1 1 50 50 PHE N N 15 118.09 0.1 . 1 . . . . 142 PHE N . 19719 1 314 . 1 1 51 51 LYS H H 1 8.117 0.02 . 1 . . . . 143 LYS HN . 19719 1 315 . 1 1 51 51 LYS HA H 1 4.199 0.02 . 1 . . . . 143 LYS HA . 19719 1 316 . 1 1 51 51 LYS HB2 H 1 2.044 0.02 . 2 . . . . 143 LYS HB1 . 19719 1 317 . 1 1 51 51 LYS HB3 H 1 2.044 0.02 . 2 . . . . 143 LYS HB2 . 19719 1 318 . 1 1 51 51 LYS C C 13 179.21 0.1 . 1 . . . . 143 LYS C . 19719 1 319 . 1 1 51 51 LYS CA C 13 59.78 0.1 . 1 . . . . 143 LYS CA . 19719 1 320 . 1 1 51 51 LYS CB C 13 32.68 0.1 . 1 . . . . 143 LYS CB . 19719 1 321 . 1 1 51 51 LYS N N 15 119.92 0.1 . 1 . . . . 143 LYS N . 19719 1 322 . 1 1 52 52 PHE H H 1 7.826 0.02 . 1 . . . . 144 PHE HN . 19719 1 323 . 1 1 52 52 PHE HA H 1 4.456 0.02 . 1 . . . . 144 PHE HA . 19719 1 324 . 1 1 52 52 PHE C C 13 178.37 0.1 . 1 . . . . 144 PHE C . 19719 1 325 . 1 1 52 52 PHE CA C 13 61.69 0.1 . 1 . . . . 144 PHE CA . 19719 1 326 . 1 1 52 52 PHE CB C 13 38.9 0.1 . 1 . . . . 144 PHE CB . 19719 1 327 . 1 1 52 52 PHE N N 15 121.08 0.1 . 1 . . . . 144 PHE N . 19719 1 328 . 1 1 53 53 ILE H H 1 8.457 0.02 . 1 . . . . 145 ILE HN . 19719 1 329 . 1 1 53 53 ILE HA H 1 3.673 0.02 . 1 . . . . 145 ILE HA . 19719 1 330 . 1 1 53 53 ILE C C 13 177.99 0.1 . 1 . . . . 145 ILE C . 19719 1 331 . 1 1 53 53 ILE CA C 13 61.25 0.1 . 1 . . . . 145 ILE CA . 19719 1 332 . 1 1 53 53 ILE N N 15 118.66 0.1 . 1 . . . . 145 ILE N . 19719 1 333 . 1 1 54 54 GLN H H 1 8.376 0.02 . 1 . . . . 146 GLN HN . 19719 1 334 . 1 1 54 54 GLN HA H 1 4.015 0.02 . 1 . . . . 146 GLN HA . 19719 1 335 . 1 1 54 54 GLN C C 13 177.25 0.1 . 1 . . . . 146 GLN C . 19719 1 336 . 1 1 54 54 GLN CA C 13 58.72 0.1 . 1 . . . . 146 GLN CA . 19719 1 337 . 1 1 54 54 GLN CB C 13 27.39 0.1 . 1 . . . . 146 GLN CB . 19719 1 338 . 1 1 54 54 GLN N N 15 122.11 0.1 . 1 . . . . 146 GLN N . 19719 1 339 . 1 1 55 55 SER H H 1 7.499 0.02 . 1 . . . . 147 SER HN . 19719 1 340 . 1 1 55 55 SER HA H 1 3.941 0.02 . 1 . . . . 147 SER HA . 19719 1 341 . 1 1 55 55 SER C C 13 176.78 0.1 . 1 . . . . 147 SER C . 19719 1 342 . 1 1 55 55 SER CA C 13 62.04 0.1 . 1 . . . . 147 SER CA . 19719 1 343 . 1 1 55 55 SER N N 15 113.25 0.1 . 1 . . . . 147 SER N . 19719 1 344 . 1 1 56 56 ILE H H 1 7.377 0.02 . 1 . . . . 148 ILE HN . 19719 1 345 . 1 1 56 56 ILE HA H 1 3.936 0.02 . 1 . . . . 148 ILE HA . 19719 1 346 . 1 1 56 56 ILE C C 13 178.24 0.1 . 1 . . . . 148 ILE C . 19719 1 347 . 1 1 56 56 ILE CA C 13 65.19 0.1 . 1 . . . . 148 ILE CA . 19719 1 348 . 1 1 56 56 ILE N N 15 125.36 0.1 . 1 . . . . 148 ILE N . 19719 1 349 . 1 1 57 57 VAL H H 1 8.009 0.02 . 1 . . . . 149 VAL HN . 19719 1 350 . 1 1 57 57 VAL HA H 1 3.697 0.02 . 1 . . . . 149 VAL HA . 19719 1 351 . 1 1 57 57 VAL C C 13 178.49 0.1 . 1 . . . . 149 VAL C . 19719 1 352 . 1 1 57 57 VAL CA C 13 66.88 0.1 . 1 . . . . 149 VAL CA . 19719 1 353 . 1 1 57 57 VAL N N 15 120.36 0.1 . 1 . . . . 149 VAL N . 19719 1 354 . 1 1 58 58 GLU H H 1 8.152 0.02 . 1 . . . . 150 GLU HN . 19719 1 355 . 1 1 58 58 GLU HA H 1 4.212 0.02 . 1 . . . . 150 GLU HA . 19719 1 356 . 1 1 58 58 GLU HB2 H 1 2.129 0.02 . 2 . . . . 150 GLU HB1 . 19719 1 357 . 1 1 58 58 GLU HB3 H 1 2.129 0.02 . 2 . . . . 150 GLU HB2 . 19719 1 358 . 1 1 58 58 GLU C C 13 179.41 0.1 . 1 . . . . 150 GLU C . 19719 1 359 . 1 1 58 58 GLU CA C 13 59.12 0.1 . 1 . . . . 150 GLU CA . 19719 1 360 . 1 1 58 58 GLU CB C 13 29.53 0.1 . 1 . . . . 150 GLU CB . 19719 1 361 . 1 1 58 58 GLU N N 15 117.19 0.1 . 1 . . . . 150 GLU N . 19719 1 362 . 1 1 59 59 THR H H 1 7.929 0.02 . 1 . . . . 151 THR HN . 19719 1 363 . 1 1 59 59 THR HA H 1 4.149 0.02 . 1 . . . . 151 THR HA . 19719 1 364 . 1 1 59 59 THR HB H 1 3.834 0.02 . 1 . . . . 151 THR HB . 19719 1 365 . 1 1 59 59 THR C C 13 175.69 0.1 . 1 . . . . 151 THR C . 19719 1 366 . 1 1 59 59 THR CA C 13 66.88 0.1 . 1 . . . . 151 THR CA . 19719 1 367 . 1 1 59 59 THR CB C 13 69.04 0.1 . 1 . . . . 151 THR CB . 19719 1 368 . 1 1 59 59 THR N N 15 117.08 0.1 . 1 . . . . 151 THR N . 19719 1 369 . 1 1 60 60 TYR H H 1 7.661 0.02 . 1 . . . . 152 TYR HN . 19719 1 370 . 1 1 60 60 TYR C C 13 173.8 0.1 . 1 . . . . 152 TYR C . 19719 1 371 . 1 1 60 60 TYR CA C 13 59.19 0.1 . 1 . . . . 152 TYR CA . 19719 1 372 . 1 1 60 60 TYR N N 15 115.44 0.1 . 1 . . . . 152 TYR N . 19719 1 373 . 1 1 61 61 LYS H H 1 7.929 0.02 . 1 . . . . 153 LYS HN . 19719 1 374 . 1 1 61 61 LYS HA H 1 4.029 0.02 . 1 . . . . 153 LYS HA . 19719 1 375 . 1 1 61 61 LYS HB2 H 1 1.877 0.02 . 2 . . . . 153 LYS HB1 . 19719 1 376 . 1 1 61 61 LYS HB3 H 1 1.877 0.02 . 2 . . . . 153 LYS HB2 . 19719 1 377 . 1 1 61 61 LYS C C 13 176.63 0.1 . 1 . . . . 153 LYS C . 19719 1 378 . 1 1 61 61 LYS CA C 13 56.78 0.1 . 1 . . . . 153 LYS CA . 19719 1 379 . 1 1 61 61 LYS CB C 13 29.01 0.1 . 1 . . . . 153 LYS CB . 19719 1 380 . 1 1 61 61 LYS N N 15 119.77 0.1 . 1 . . . . 153 LYS N . 19719 1 381 . 1 1 62 62 ILE H H 1 8.102 0.02 . 1 . . . . 154 ILE HN . 19719 1 382 . 1 1 62 62 ILE C C 13 174.03 0.1 . 1 . . . . 154 ILE C . 19719 1 383 . 1 1 62 62 ILE CA C 13 59.63 0.1 . 1 . . . . 154 ILE CA . 19719 1 384 . 1 1 62 62 ILE N N 15 121.8 0.1 . 1 . . . . 154 ILE N . 19719 1 385 . 1 1 63 63 PRO HA H 1 4.484 0.02 . 1 . . . . 155 PRO HA . 19719 1 386 . 1 1 63 63 PRO C C 13 177.23 0.1 . 1 . . . . 155 PRO C . 19719 1 387 . 1 1 63 63 PRO CA C 13 63.2 0.1 . 1 . . . . 155 PRO CA . 19719 1 388 . 1 1 63 63 PRO CB C 13 33.17 0.1 . 1 . . . . 155 PRO CB . 19719 1 389 . 1 1 64 64 ASP H H 1 8.729 0.02 . 1 . . . . 156 ASP HN . 19719 1 390 . 1 1 64 64 ASP HA H 1 4.315 0.02 . 1 . . . . 156 ASP HA . 19719 1 391 . 1 1 64 64 ASP HB2 H 1 2.647 0.02 . 2 . . . . 156 ASP HB1 . 19719 1 392 . 1 1 64 64 ASP HB3 H 1 2.647 0.02 . 2 . . . . 156 ASP HB2 . 19719 1 393 . 1 1 64 64 ASP C C 13 178.04 0.1 . 1 . . . . 156 ASP C . 19719 1 394 . 1 1 64 64 ASP CA C 13 57.81 0.1 . 1 . . . . 156 ASP CA . 19719 1 395 . 1 1 64 64 ASP CB C 13 40.8 0.1 . 1 . . . . 156 ASP CB . 19719 1 396 . 1 1 64 64 ASP N N 15 123.14 0.1 . 1 . . . . 156 ASP N . 19719 1 397 . 1 1 65 65 GLU H H 1 8.974 0.02 . 1 . . . . 157 GLU HN . 19719 1 398 . 1 1 65 65 GLU HA H 1 3.987 0.02 . 1 . . . . 157 GLU HA . 19719 1 399 . 1 1 65 65 GLU C C 13 178.34 0.1 . 1 . . . . 157 GLU C . 19719 1 400 . 1 1 65 65 GLU CA C 13 60.32 0.1 . 1 . . . . 157 GLU CA . 19719 1 401 . 1 1 65 65 GLU CB C 13 28.72 0.1 . 1 . . . . 157 GLU CB . 19719 1 402 . 1 1 65 65 GLU N N 15 117.95 0.1 . 1 . . . . 157 GLU N . 19719 1 403 . 1 1 66 66 TYR H H 1 6.839 0.02 . 1 . . . . 158 TYR HN . 19719 1 404 . 1 1 66 66 TYR HA H 1 3.876 0.02 . 1 . . . . 158 TYR HA . 19719 1 405 . 1 1 66 66 TYR C C 13 176.35 0.1 . 1 . . . . 158 TYR C . 19719 1 406 . 1 1 66 66 TYR CA C 13 61.36 0.1 . 1 . . . . 158 TYR CA . 19719 1 407 . 1 1 66 66 TYR CB C 13 38.45 0.1 . 1 . . . . 158 TYR CB . 19719 1 408 . 1 1 66 66 TYR N N 15 119.22 0.1 . 1 . . . . 158 TYR N . 19719 1 409 . 1 1 67 67 LYS H H 1 7.476 0.02 . 1 . . . . 159 LYS HN . 19719 1 410 . 1 1 67 67 LYS HA H 1 3.587 0.02 . 1 . . . . 159 LYS HA . 19719 1 411 . 1 1 67 67 LYS C C 13 176.82 0.1 . 1 . . . . 159 LYS C . 19719 1 412 . 1 1 67 67 LYS CA C 13 59.82 0.1 . 1 . . . . 159 LYS CA . 19719 1 413 . 1 1 67 67 LYS CB C 13 32.87 0.1 . 1 . . . . 159 LYS CB . 19719 1 414 . 1 1 67 67 LYS N N 15 118.29 0.1 . 1 . . . . 159 LYS N . 19719 1 415 . 1 1 68 68 MET H H 1 8.725 0.02 . 1 . . . . 160 MET HN . 19719 1 416 . 1 1 68 68 MET HA H 1 4.043 0.02 . 1 . . . . 160 MET HA . 19719 1 417 . 1 1 68 68 MET HB2 H 1 2.013 0.02 . 2 . . . . 160 MET HB1 . 19719 1 418 . 1 1 68 68 MET HB3 H 1 2.013 0.02 . 2 . . . . 160 MET HB2 . 19719 1 419 . 1 1 68 68 MET C C 13 179.27 0.1 . 1 . . . . 160 MET C . 19719 1 420 . 1 1 68 68 MET CA C 13 58 0.1 . 1 . . . . 160 MET CA . 19719 1 421 . 1 1 68 68 MET CB C 13 31.27 0.1 . 1 . . . . 160 MET CB . 19719 1 422 . 1 1 68 68 MET N N 15 114.21 0.1 . 1 . . . . 160 MET N . 19719 1 423 . 1 1 69 69 ARG H H 1 7.413 0.02 . 1 . . . . 161 ARG HN . 19719 1 424 . 1 1 69 69 ARG HA H 1 4.048 0.02 . 1 . . . . 161 ARG HA . 19719 1 425 . 1 1 69 69 ARG C C 13 179.15 0.1 . 1 . . . . 161 ARG C . 19719 1 426 . 1 1 69 69 ARG CA C 13 59.68 0.1 . 1 . . . . 161 ARG CA . 19719 1 427 . 1 1 69 69 ARG CB C 13 30.06 0.1 . 1 . . . . 161 ARG CB . 19719 1 428 . 1 1 69 69 ARG N N 15 119.9 0.1 . 1 . . . . 161 ARG N . 19719 1 429 . 1 1 70 70 LYS H H 1 7.87 0.02 . 1 . . . . 162 LYS HN . 19719 1 430 . 1 1 70 70 LYS HA H 1 4.192 0.02 . 1 . . . . 162 LYS HA . 19719 1 431 . 1 1 70 70 LYS C C 13 180.32 0.1 . 1 . . . . 162 LYS C . 19719 1 432 . 1 1 70 70 LYS CA C 13 57.48 0.1 . 1 . . . . 162 LYS CA . 19719 1 433 . 1 1 70 70 LYS CB C 13 31.41 0.1 . 1 . . . . 162 LYS CB . 19719 1 434 . 1 1 70 70 LYS N N 15 118.14 0.1 . 1 . . . . 162 LYS N . 19719 1 435 . 1 1 71 71 PHE H H 1 9.052 0.02 . 1 . . . . 163 PHE HN . 19719 1 436 . 1 1 71 71 PHE C C 13 178.36 0.1 . 1 . . . . 163 PHE C . 19719 1 437 . 1 1 71 71 PHE CA C 13 58.1 0.1 . 1 . . . . 163 PHE CA . 19719 1 438 . 1 1 71 71 PHE CB C 13 36.24 0.1 . 1 . . . . 163 PHE CB . 19719 1 439 . 1 1 71 71 PHE N N 15 120.36 0.1 . 1 . . . . 163 PHE N . 19719 1 440 . 1 1 72 72 LYS H H 1 8.119 0.02 . 1 . . . . 164 LYS HN . 19719 1 441 . 1 1 72 72 LYS C C 13 178.73 0.1 . 1 . . . . 164 LYS C . 19719 1 442 . 1 1 72 72 LYS CA C 13 57.92 0.1 . 1 . . . . 164 LYS CA . 19719 1 443 . 1 1 72 72 LYS N N 15 121.19 0.1 . 1 . . . . 164 LYS N . 19719 1 444 . 1 1 73 73 PHE HA H 1 4.515 0.02 . 1 . . . . 165 PHE HA . 19719 1 445 . 1 1 73 73 PHE HB2 H 1 3.391 0.02 . 2 . . . . 165 PHE HB1 . 19719 1 446 . 1 1 73 73 PHE HB3 H 1 3.391 0.02 . 2 . . . . 165 PHE HB2 . 19719 1 447 . 1 1 73 73 PHE C C 13 178.13 0.1 . 1 . . . . 165 PHE C . 19719 1 448 . 1 1 73 73 PHE CA C 13 61.26 0.1 . 1 . . . . 165 PHE CA . 19719 1 449 . 1 1 73 73 PHE CB C 13 38.88 0.1 . 1 . . . . 165 PHE CB . 19719 1 450 . 1 1 74 74 ALA H H 1 8.727 0.02 . 1 . . . . 166 ALA HN . 19719 1 451 . 1 1 74 74 ALA HA H 1 4.215 0.02 . 1 . . . . 166 ALA HA . 19719 1 452 . 1 1 74 74 ALA HB1 H 1 1.89 0.02 . 1 . . . . 166 ALA HB1 . 19719 1 453 . 1 1 74 74 ALA HB2 H 1 1.89 0.02 . 1 . . . . 166 ALA HB1 . 19719 1 454 . 1 1 74 74 ALA HB3 H 1 1.89 0.02 . 1 . . . . 166 ALA HB1 . 19719 1 455 . 1 1 74 74 ALA C C 13 178.76 0.1 . 1 . . . . 166 ALA C . 19719 1 456 . 1 1 74 74 ALA CA C 13 55.27 0.1 . 1 . . . . 166 ALA CA . 19719 1 457 . 1 1 74 74 ALA CB C 13 19.13 0.1 . 1 . . . . 166 ALA CB . 19719 1 458 . 1 1 74 74 ALA N N 15 121.57 0.1 . 1 . . . . 166 ALA N . 19719 1 459 . 1 1 75 75 HIS H H 1 8.785 0.02 . 1 . . . . 167 HIS HN . 19719 1 460 . 1 1 75 75 HIS HA H 1 4.379 0.02 . 1 . . . . 167 HIS HA . 19719 1 461 . 1 1 75 75 HIS C C 13 176.82 0.1 . 1 . . . . 167 HIS C . 19719 1 462 . 1 1 75 75 HIS CA C 13 59.67 0.1 . 1 . . . . 167 HIS CA . 19719 1 463 . 1 1 75 75 HIS CB C 13 29.15 0.1 . 1 . . . . 167 HIS CB . 19719 1 464 . 1 1 75 75 HIS N N 15 117.23 0.1 . 1 . . . . 167 HIS N . 19719 1 465 . 1 1 76 76 PHE H H 1 7.854 0.02 . 1 . . . . 168 PHE HN . 19719 1 466 . 1 1 76 76 PHE HA H 1 4.032 0.02 . 1 . . . . 168 PHE HA . 19719 1 467 . 1 1 76 76 PHE HB2 H 1 3.229 0.02 . 2 . . . . 168 PHE HB1 . 19719 1 468 . 1 1 76 76 PHE HB3 H 1 3.229 0.02 . 2 . . . . 168 PHE HB2 . 19719 1 469 . 1 1 76 76 PHE C C 13 179.19 0.1 . 1 . . . . 168 PHE C . 19719 1 470 . 1 1 76 76 PHE CA C 13 61.59 0.1 . 1 . . . . 168 PHE CA . 19719 1 471 . 1 1 76 76 PHE CB C 13 38.44 0.1 . 1 . . . . 168 PHE CB . 19719 1 472 . 1 1 76 76 PHE N N 15 117.36 0.1 . 1 . . . . 168 PHE N . 19719 1 473 . 1 1 77 77 GLU H H 1 8.322 0.02 . 1 . . . . 169 GLU HN . 19719 1 474 . 1 1 77 77 GLU HA H 1 4.016 0.02 . 1 . . . . 169 GLU HA . 19719 1 475 . 1 1 77 77 GLU C C 13 179.86 0.1 . 1 . . . . 169 GLU C . 19719 1 476 . 1 1 77 77 GLU CA C 13 59.74 0.1 . 1 . . . . 169 GLU CA . 19719 1 477 . 1 1 77 77 GLU CB C 13 30.58 0.1 . 1 . . . . 169 GLU CB . 19719 1 478 . 1 1 77 77 GLU N N 15 121.19 0.1 . 1 . . . . 169 GLU N . 19719 1 479 . 1 1 78 78 MET H H 1 8.781 0.02 . 1 . . . . 170 MET HN . 19719 1 480 . 1 1 78 78 MET HA H 1 3.614 0.02 . 1 . . . . 170 MET HA . 19719 1 481 . 1 1 78 78 MET C C 13 178.68 0.1 . 1 . . . . 170 MET C . 19719 1 482 . 1 1 78 78 MET CA C 13 61.35 0.1 . 1 . . . . 170 MET CA . 19719 1 483 . 1 1 78 78 MET N N 15 119.03 0.1 . 1 . . . . 170 MET N . 19719 1 484 . 1 1 79 79 GLN H H 1 8.302 0.02 . 1 . . . . 171 GLN HN . 19719 1 485 . 1 1 79 79 GLN HA H 1 3.883 0.02 . 1 . . . . 171 GLN HA . 19719 1 486 . 1 1 79 79 GLN C C 13 178.63 0.1 . 1 . . . . 171 GLN C . 19719 1 487 . 1 1 79 79 GLN CA C 13 58.85 0.1 . 1 . . . . 171 GLN CA . 19719 1 488 . 1 1 79 79 GLN CB C 13 28.53 0.1 . 1 . . . . 171 GLN CB . 19719 1 489 . 1 1 79 79 GLN N N 15 117.58 0.1 . 1 . . . . 171 GLN N . 19719 1 490 . 1 1 80 80 GLY H H 1 7.763 0.02 . 1 . . . . 172 GLY HN . 19719 1 491 . 1 1 80 80 GLY C C 13 177.3 0.1 . 1 . . . . 172 GLY C . 19719 1 492 . 1 1 80 80 GLY CA C 13 47.35 0.1 . 1 . . . . 172 GLY CA . 19719 1 493 . 1 1 80 80 GLY N N 15 107.23 0.1 . 1 . . . . 172 GLY N . 19719 1 494 . 1 1 81 81 TYR H H 1 7.846 0.02 . 1 . . . . 173 TYR HN . 19719 1 495 . 1 1 81 81 TYR HA H 1 4.343 0.02 . 1 . . . . 173 TYR HA . 19719 1 496 . 1 1 81 81 TYR C C 13 178.71 0.1 . 1 . . . . 173 TYR C . 19719 1 497 . 1 1 81 81 TYR CA C 13 62.21 0.1 . 1 . . . . 173 TYR CA . 19719 1 498 . 1 1 81 81 TYR CB C 13 38.08 0.1 . 1 . . . . 173 TYR CB . 19719 1 499 . 1 1 81 81 TYR N N 15 121.24 0.1 . 1 . . . . 173 TYR N . 19719 1 500 . 1 1 82 82 ALA H H 1 8.248 0.02 . 1 . . . . 174 ALA HN . 19719 1 501 . 1 1 82 82 ALA HA H 1 3.924 0.02 . 1 . . . . 174 ALA HA . 19719 1 502 . 1 1 82 82 ALA HB1 H 1 1.266 0.02 . 1 . . . . 174 ALA HB1 . 19719 1 503 . 1 1 82 82 ALA HB2 H 1 1.266 0.02 . 1 . . . . 174 ALA HB1 . 19719 1 504 . 1 1 82 82 ALA HB3 H 1 1.266 0.02 . 1 . . . . 174 ALA HB1 . 19719 1 505 . 1 1 82 82 ALA C C 13 179.45 0.1 . 1 . . . . 174 ALA C . 19719 1 506 . 1 1 82 82 ALA CA C 13 55.62 0.1 . 1 . . . . 174 ALA CA . 19719 1 507 . 1 1 82 82 ALA CB C 13 17.19 0.1 . 1 . . . . 174 ALA CB . 19719 1 508 . 1 1 82 82 ALA N N 15 123.96 0.1 . 1 . . . . 174 ALA N . 19719 1 509 . 1 1 83 83 LEU H H 1 8.342 0.02 . 1 . . . . 175 LEU HN . 19719 1 510 . 1 1 83 83 LEU HA H 1 4.125 0.02 . 1 . . . . 175 LEU HA . 19719 1 511 . 1 1 83 83 LEU C C 13 179.77 0.1 . 1 . . . . 175 LEU C . 19719 1 512 . 1 1 83 83 LEU CA C 13 58.1 0.1 . 1 . . . . 175 LEU CA . 19719 1 513 . 1 1 83 83 LEU CB C 13 41.51 0.1 . 1 . . . . 175 LEU CB . 19719 1 514 . 1 1 83 83 LEU N N 15 119.93 0.1 . 1 . . . . 175 LEU N . 19719 1 515 . 1 1 84 84 LYS H H 1 7.624 0.02 . 1 . . . . 176 LYS HN . 19719 1 516 . 1 1 84 84 LYS HA H 1 3.999 0.02 . 1 . . . . 176 LYS HA . 19719 1 517 . 1 1 84 84 LYS C C 13 178.71 0.1 . 1 . . . . 176 LYS C . 19719 1 518 . 1 1 84 84 LYS CA C 13 59.74 0.1 . 1 . . . . 176 LYS CA . 19719 1 519 . 1 1 84 84 LYS CB C 13 29.13 0.1 . 1 . . . . 176 LYS CB . 19719 1 520 . 1 1 84 84 LYS N N 15 119.76 0.1 . 1 . . . . 176 LYS N . 19719 1 521 . 1 1 85 85 GLN H H 1 8.417 0.02 . 1 . . . . 177 GLN HN . 19719 1 522 . 1 1 85 85 GLN C C 13 178.86 0.1 . 1 . . . . 177 GLN C . 19719 1 523 . 1 1 85 85 GLN CA C 13 58.69 0.1 . 1 . . . . 177 GLN CA . 19719 1 524 . 1 1 85 85 GLN N N 15 119.61 0.1 . 1 . . . . 177 GLN N . 19719 1 525 . 1 1 86 86 GLU H H 1 7.963 0.02 . 1 . . . . 178 GLU HN . 19719 1 526 . 1 1 86 86 GLU HA H 1 3.881 0.02 . 1 . . . . 178 GLU HA . 19719 1 527 . 1 1 86 86 GLU C C 13 178.8 0.1 . 1 . . . . 178 GLU C . 19719 1 528 . 1 1 86 86 GLU CA C 13 59.62 0.1 . 1 . . . . 178 GLU CA . 19719 1 529 . 1 1 86 86 GLU N N 15 119.8 0.1 . 1 . . . . 178 GLU N . 19719 1 530 . 1 1 87 87 LYS H H 1 8.066 0.02 . 1 . . . . 179 LYS HN . 19719 1 531 . 1 1 87 87 LYS HA H 1 4.097 0.02 . 1 . . . . 179 LYS HA . 19719 1 532 . 1 1 87 87 LYS HB2 H 1 1.994 0.02 . 2 . . . . 179 LYS HB1 . 19719 1 533 . 1 1 87 87 LYS HB3 H 1 1.994 0.02 . 2 . . . . 179 LYS HB2 . 19719 1 534 . 1 1 87 87 LYS C C 13 178.74 0.1 . 1 . . . . 179 LYS C . 19719 1 535 . 1 1 87 87 LYS CA C 13 60.27 0.1 . 1 . . . . 179 LYS CA . 19719 1 536 . 1 1 87 87 LYS N N 15 119.39 0.1 . 1 . . . . 179 LYS N . 19719 1 537 . 1 1 88 88 PHE H H 1 7.863 0.02 . 1 . . . . 180 PHE HN . 19719 1 538 . 1 1 88 88 PHE C C 13 178.14 0.1 . 1 . . . . 180 PHE C . 19719 1 539 . 1 1 88 88 PHE CA C 13 61.41 0.1 . 1 . . . . 180 PHE CA . 19719 1 540 . 1 1 88 88 PHE N N 15 118.16 0.1 . 1 . . . . 180 PHE N . 19719 1 541 . 1 1 89 89 LEU C C 13 180.55 0.1 . 1 . . . . 181 LEU C . 19719 1 542 . 1 1 89 89 LEU CA C 13 57.36 0.1 . 1 . . . . 181 LEU CA . 19719 1 543 . 1 1 90 90 LEU H H 1 8.5 0.02 . 1 . . . . 182 LEU HN . 19719 1 544 . 1 1 90 90 LEU CA C 13 58.18 0.1 . 1 . . . . 182 LEU CA . 19719 1 545 . 1 1 90 90 LEU N N 15 123.33 0.1 . 1 . . . . 182 LEU N . 19719 1 546 . 1 1 92 92 TYR HA H 1 3.799 0.02 . 1 . . . . 184 TYR HA . 19719 1 547 . 1 1 92 92 TYR C C 13 178.66 0.1 . 1 . . . . 184 TYR C . 19719 1 548 . 1 1 92 92 TYR CA C 13 61.65 0.1 . 1 . . . . 184 TYR CA . 19719 1 549 . 1 1 92 92 TYR CB C 13 38.5 0.1 . 1 . . . . 184 TYR CB . 19719 1 550 . 1 1 93 93 ALA H H 1 7.879 0.02 . 1 . . . . 185 ALA HN . 19719 1 551 . 1 1 93 93 ALA HA H 1 3.645 0.02 . 1 . . . . 185 ALA HA . 19719 1 552 . 1 1 93 93 ALA HB1 H 1 0.959 0.02 . 1 . . . . 185 ALA HB1 . 19719 1 553 . 1 1 93 93 ALA HB2 H 1 0.959 0.02 . 1 . . . . 185 ALA HB1 . 19719 1 554 . 1 1 93 93 ALA HB3 H 1 0.959 0.02 . 1 . . . . 185 ALA HB1 . 19719 1 555 . 1 1 93 93 ALA C C 13 178.59 0.1 . 1 . . . . 185 ALA C . 19719 1 556 . 1 1 93 93 ALA CA C 13 55.29 0.1 . 1 . . . . 185 ALA CA . 19719 1 557 . 1 1 93 93 ALA CB C 13 18.57 0.1 . 1 . . . . 185 ALA CB . 19719 1 558 . 1 1 93 93 ALA N N 15 121.35 0.1 . 1 . . . . 185 ALA N . 19719 1 559 . 1 1 94 94 PHE H H 1 7.883 0.02 . 1 . . . . 186 PHE HN . 19719 1 560 . 1 1 94 94 PHE HA H 1 4.397 0.02 . 1 . . . . 186 PHE HA . 19719 1 561 . 1 1 94 94 PHE C C 13 177.64 0.1 . 1 . . . . 186 PHE C . 19719 1 562 . 1 1 94 94 PHE CA C 13 60.52 0.1 . 1 . . . . 186 PHE CA . 19719 1 563 . 1 1 94 94 PHE CB C 13 38.27 0.1 . 1 . . . . 186 PHE CB . 19719 1 564 . 1 1 94 94 PHE N N 15 115.51 0.1 . 1 . . . . 186 PHE N . 19719 1 565 . 1 1 95 95 LEU H H 1 7.926 0.02 . 1 . . . . 187 LEU HN . 19719 1 566 . 1 1 95 95 LEU HA H 1 4.107 0.02 . 1 . . . . 187 LEU HA . 19719 1 567 . 1 1 95 95 LEU C C 13 179.2 0.1 . 1 . . . . 187 LEU C . 19719 1 568 . 1 1 95 95 LEU CA C 13 57.3 0.1 . 1 . . . . 187 LEU CA . 19719 1 569 . 1 1 95 95 LEU CB C 13 42.08 0.1 . 1 . . . . 187 LEU CB . 19719 1 570 . 1 1 95 95 LEU N N 15 119.15 0.1 . 1 . . . . 187 LEU N . 19719 1 571 . 1 1 96 96 SER H H 1 7.334 0.02 . 1 . . . . 188 SER HN . 19719 1 572 . 1 1 96 96 SER HA H 1 4.241 0.02 . 1 . . . . 188 SER HA . 19719 1 573 . 1 1 96 96 SER HB2 H 1 3.602 0.02 . 2 . . . . 188 SER HB1 . 19719 1 574 . 1 1 96 96 SER HB3 H 1 3.602 0.02 . 2 . . . . 188 SER HB2 . 19719 1 575 . 1 1 96 96 SER C C 13 174.42 0.1 . 1 . . . . 188 SER C . 19719 1 576 . 1 1 96 96 SER CA C 13 60.65 0.1 . 1 . . . . 188 SER CA . 19719 1 577 . 1 1 96 96 SER CB C 13 64.32 0.1 . 1 . . . . 188 SER CB . 19719 1 578 . 1 1 96 96 SER N N 15 112.23 0.1 . 1 . . . . 188 SER N . 19719 1 579 . 1 1 97 97 LEU H H 1 7.688 0.02 . 1 . . . . 189 LEU HN . 19719 1 580 . 1 1 97 97 LEU HA H 1 4.662 0.02 . 1 . . . . 189 LEU HA . 19719 1 581 . 1 1 97 97 LEU C C 13 175.33 0.1 . 1 . . . . 189 LEU C . 19719 1 582 . 1 1 97 97 LEU CA C 13 53.5 0.1 . 1 . . . . 189 LEU CA . 19719 1 583 . 1 1 97 97 LEU CB C 13 43.24 0.1 . 1 . . . . 189 LEU CB . 19719 1 584 . 1 1 97 97 LEU N N 15 122.14 0.1 . 1 . . . . 189 LEU N . 19719 1 585 . 1 1 98 98 ASN H H 1 7.818 0.02 . 1 . . . . 190 ASN HN . 19719 1 586 . 1 1 98 98 ASN HA H 1 4.658 0.02 . 1 . . . . 190 ASN HA . 19719 1 587 . 1 1 98 98 ASN HB2 H 1 2.751 0.02 . 2 . . . . 190 ASN HB1 . 19719 1 588 . 1 1 98 98 ASN HB3 H 1 2.751 0.02 . 2 . . . . 190 ASN HB2 . 19719 1 589 . 1 1 98 98 ASN C C 13 175.46 0.1 . 1 . . . . 190 ASN C . 19719 1 590 . 1 1 98 98 ASN CA C 13 53.67 0.1 . 1 . . . . 190 ASN CA . 19719 1 591 . 1 1 98 98 ASN CB C 13 39.67 0.1 . 1 . . . . 190 ASN CB . 19719 1 592 . 1 1 98 98 ASN N N 15 118.85 0.1 . 1 . . . . 190 ASN N . 19719 1 593 . 1 1 99 99 GLY H H 1 7.985 0.02 . 1 . . . . 191 GLY HN . 19719 1 594 . 1 1 99 99 GLY C C 13 173.72 0.1 . 1 . . . . 191 GLY C . 19719 1 595 . 1 1 99 99 GLY CA C 13 44.7 0.1 . 1 . . . . 191 GLY CA . 19719 1 596 . 1 1 99 99 GLY N N 15 109.03 0.1 . 1 . . . . 191 GLY N . 19719 1 597 . 1 1 100 100 LYS H H 1 9.485 0.02 . 1 . . . . 192 LYS HN . 19719 1 598 . 1 1 100 100 LYS HA H 1 4.097 0.02 . 1 . . . . 192 LYS HA . 19719 1 599 . 1 1 100 100 LYS HB2 H 1 1.828 0.02 . 2 . . . . 192 LYS HB1 . 19719 1 600 . 1 1 100 100 LYS HB3 H 1 1.828 0.02 . 2 . . . . 192 LYS HB2 . 19719 1 601 . 1 1 100 100 LYS C C 13 176.44 0.1 . 1 . . . . 192 LYS C . 19719 1 602 . 1 1 100 100 LYS CB C 13 33.08 0.1 . 1 . . . . 192 LYS CB . 19719 1 603 . 1 1 100 100 LYS N N 15 125.87 0.1 . 1 . . . . 192 LYS N . 19719 1 604 . 1 1 101 101 LEU H H 1 7.637 0.02 . 1 . . . . 193 LEU HN . 19719 1 605 . 1 1 101 101 LEU HA H 1 4.726 0.02 . 1 . . . . 193 LEU HA . 19719 1 606 . 1 1 101 101 LEU HB2 H 1 1.4 0.02 . 2 . . . . 193 LEU HB1 . 19719 1 607 . 1 1 101 101 LEU HB3 H 1 1.4 0.02 . 2 . . . . 193 LEU HB2 . 19719 1 608 . 1 1 101 101 LEU C C 13 175.99 0.1 . 1 . . . . 193 LEU C . 19719 1 609 . 1 1 101 101 LEU CA C 13 54.41 0.1 . 1 . . . . 193 LEU CA . 19719 1 610 . 1 1 101 101 LEU CB C 13 44.7 0.1 . 1 . . . . 193 LEU CB . 19719 1 611 . 1 1 101 101 LEU N N 15 118.33 0.1 . 1 . . . . 193 LEU N . 19719 1 612 . 1 1 102 102 CYS H H 1 8.833 0.02 . 1 . . . . 194 CYS HN . 19719 1 613 . 1 1 102 102 CYS HA H 1 4.887 0.02 . 1 . . . . 194 CYS HA . 19719 1 614 . 1 1 102 102 CYS HB2 H 1 2.727 0.02 . 2 . . . . 194 CYS HB1 . 19719 1 615 . 1 1 102 102 CYS HB3 H 1 2.727 0.02 . 2 . . . . 194 CYS HB2 . 19719 1 616 . 1 1 102 102 CYS C C 13 173.99 0.1 . 1 . . . . 194 CYS C . 19719 1 617 . 1 1 102 102 CYS CA C 13 57.74 0.1 . 1 . . . . 194 CYS CA . 19719 1 618 . 1 1 102 102 CYS CB C 13 30.98 0.1 . 1 . . . . 194 CYS CB . 19719 1 619 . 1 1 102 102 CYS N N 15 120.85 0.1 . 1 . . . . 194 CYS N . 19719 1 620 . 1 1 103 103 GLU H H 1 9.456 0.02 . 1 . . . . 195 GLU HN . 19719 1 621 . 1 1 103 103 GLU C C 13 177.61 0.1 . 1 . . . . 195 GLU C . 19719 1 622 . 1 1 103 103 GLU CA C 13 57.9 0.1 . 1 . . . . 195 GLU CA . 19719 1 623 . 1 1 103 103 GLU N N 15 125.9 0.1 . 1 . . . . 195 GLU N . 19719 1 624 . 1 1 104 104 ARG H H 1 9.274 0.02 . 1 . . . . 196 ARG HN . 19719 1 625 . 1 1 104 104 ARG HA H 1 3.894 0.02 . 1 . . . . 196 ARG HA . 19719 1 626 . 1 1 104 104 ARG C C 13 177.91 0.1 . 1 . . . . 196 ARG C . 19719 1 627 . 1 1 104 104 ARG CA C 13 60.75 0.1 . 1 . . . . 196 ARG CA . 19719 1 628 . 1 1 104 104 ARG N N 15 130.54 0.1 . 1 . . . . 196 ARG N . 19719 1 629 . 1 1 105 105 LYS H H 1 8.948 0.02 . 1 . . . . 197 LYS HN . 19719 1 630 . 1 1 105 105 LYS HA H 1 4.046 0.02 . 1 . . . . 197 LYS HA . 19719 1 631 . 1 1 105 105 LYS HB2 H 1 1.948 0.02 . 2 . . . . 197 LYS HB1 . 19719 1 632 . 1 1 105 105 LYS HB3 H 1 1.948 0.02 . 2 . . . . 197 LYS HB2 . 19719 1 633 . 1 1 105 105 LYS C C 13 178.61 0.1 . 1 . . . . 197 LYS C . 19719 1 634 . 1 1 105 105 LYS CA C 13 60.29 0.1 . 1 . . . . 197 LYS CA . 19719 1 635 . 1 1 105 105 LYS CB C 13 32.49 0.1 . 1 . . . . 197 LYS CB . 19719 1 636 . 1 1 105 105 LYS N N 15 118.07 0.1 . 1 . . . . 197 LYS N . 19719 1 637 . 1 1 106 106 LYS H H 1 6.813 0.02 . 1 . . . . 198 LYS HN . 19719 1 638 . 1 1 106 106 LYS HB2 H 1 2.01 0.02 . 2 . . . . 198 LYS HB1 . 19719 1 639 . 1 1 106 106 LYS HB3 H 1 2.01 0.02 . 2 . . . . 198 LYS HB2 . 19719 1 640 . 1 1 106 106 LYS C C 13 178.58 0.1 . 1 . . . . 198 LYS C . 19719 1 641 . 1 1 106 106 LYS CA C 13 58.33 0.1 . 1 . . . . 198 LYS CA . 19719 1 642 . 1 1 106 106 LYS CB C 13 32.25 0.1 . 1 . . . . 198 LYS CB . 19719 1 643 . 1 1 106 106 LYS N N 15 119.23 0.1 . 1 . . . . 198 LYS N . 19719 1 644 . 1 1 107 107 PHE H H 1 8.059 0.02 . 1 . . . . 199 PHE HN . 19719 1 645 . 1 1 107 107 PHE HA H 1 4.318 0.02 . 1 . . . . 199 PHE HA . 19719 1 646 . 1 1 107 107 PHE C C 13 176.17 0.1 . 1 . . . . 199 PHE C . 19719 1 647 . 1 1 107 107 PHE CA C 13 61.29 0.1 . 1 . . . . 199 PHE CA . 19719 1 648 . 1 1 107 107 PHE CB C 13 38.92 0.1 . 1 . . . . 199 PHE CB . 19719 1 649 . 1 1 107 107 PHE N N 15 119.97 0.1 . 1 . . . . 199 PHE N . 19719 1 650 . 1 1 108 108 LYS H H 1 8.652 0.02 . 1 . . . . 200 LYS HN . 19719 1 651 . 1 1 108 108 LYS HA H 1 3.457 0.02 . 1 . . . . 200 LYS HA . 19719 1 652 . 1 1 108 108 LYS HB2 H 1 1.894 0.02 . 2 . . . . 200 LYS HB1 . 19719 1 653 . 1 1 108 108 LYS HB3 H 1 1.894 0.02 . 2 . . . . 200 LYS HB2 . 19719 1 654 . 1 1 108 108 LYS C C 13 178.56 0.1 . 1 . . . . 200 LYS C . 19719 1 655 . 1 1 108 108 LYS CA C 13 60.59 0.1 . 1 . . . . 200 LYS CA . 19719 1 656 . 1 1 108 108 LYS CB C 13 32.23 0.1 . 1 . . . . 200 LYS CB . 19719 1 657 . 1 1 108 108 LYS N N 15 118.99 0.1 . 1 . . . . 200 LYS N . 19719 1 658 . 1 1 109 109 GLU H H 1 7.47 0.02 . 1 . . . . 201 GLU HN . 19719 1 659 . 1 1 109 109 GLU HA H 1 4.121 0.02 . 1 . . . . 201 GLU HA . 19719 1 660 . 1 1 109 109 GLU C C 13 179.89 0.1 . 1 . . . . 201 GLU C . 19719 1 661 . 1 1 109 109 GLU CA C 13 59.76 0.1 . 1 . . . . 201 GLU CA . 19719 1 662 . 1 1 109 109 GLU CB C 13 29.75 0.1 . 1 . . . . 201 GLU CB . 19719 1 663 . 1 1 109 109 GLU N N 15 119.3 0.1 . 1 . . . . 201 GLU N . 19719 1 664 . 1 1 110 110 VAL H H 1 8.041 0.02 . 1 . . . . 202 VAL HN . 19719 1 665 . 1 1 110 110 VAL HA H 1 4.187 0.02 . 1 . . . . 202 VAL HA . 19719 1 666 . 1 1 110 110 VAL C C 13 177.81 0.1 . 1 . . . . 202 VAL C . 19719 1 667 . 1 1 110 110 VAL CA C 13 66.46 0.1 . 1 . . . . 202 VAL CA . 19719 1 668 . 1 1 110 110 VAL N N 15 122.26 0.1 . 1 . . . . 202 VAL N . 19719 1 669 . 1 1 111 111 LEU H H 1 8.772 0.02 . 1 . . . . 203 LEU HN . 19719 1 670 . 1 1 111 111 LEU HA H 1 4.05 0.02 . 1 . . . . 203 LEU HA . 19719 1 671 . 1 1 111 111 LEU C C 13 178.36 0.1 . 1 . . . . 203 LEU C . 19719 1 672 . 1 1 111 111 LEU CA C 13 58.49 0.1 . 1 . . . . 203 LEU CA . 19719 1 673 . 1 1 111 111 LEU CB C 13 41.27 0.1 . 1 . . . . 203 LEU CB . 19719 1 674 . 1 1 111 111 LEU N N 15 121.75 0.1 . 1 . . . . 203 LEU N . 19719 1 675 . 1 1 112 112 GLU H H 1 8.119 0.02 . 1 . . . . 204 GLU HN . 19719 1 676 . 1 1 112 112 GLU HA H 1 4.044 0.02 . 1 . . . . 204 GLU HA . 19719 1 677 . 1 1 112 112 GLU HB2 H 1 2.144 0.02 . 2 . . . . 204 GLU HB1 . 19719 1 678 . 1 1 112 112 GLU HB3 H 1 2.144 0.02 . 2 . . . . 204 GLU HB2 . 19719 1 679 . 1 1 112 112 GLU C C 13 179.12 0.1 . 1 . . . . 204 GLU C . 19719 1 680 . 1 1 112 112 GLU CA C 13 59.42 0.1 . 1 . . . . 204 GLU CA . 19719 1 681 . 1 1 112 112 GLU CB C 13 29.05 0.1 . 1 . . . . 204 GLU CB . 19719 1 682 . 1 1 112 112 GLU N N 15 117.24 0.1 . 1 . . . . 204 GLU N . 19719 1 683 . 1 1 113 113 TYR H H 1 7.865 0.02 . 1 . . . . 205 TYR HN . 19719 1 684 . 1 1 113 113 TYR HA H 1 4.208 0.02 . 1 . . . . 205 TYR HA . 19719 1 685 . 1 1 113 113 TYR C C 13 177.08 0.1 . 1 . . . . 205 TYR C . 19719 1 686 . 1 1 113 113 TYR CA C 13 61.94 0.1 . 1 . . . . 205 TYR CA . 19719 1 687 . 1 1 113 113 TYR CB C 13 38.22 0.1 . 1 . . . . 205 TYR CB . 19719 1 688 . 1 1 113 113 TYR N N 15 122 0.1 . 1 . . . . 205 TYR N . 19719 1 689 . 1 1 114 114 VAL H H 1 8.777 0.02 . 1 . . . . 206 VAL HN . 19719 1 690 . 1 1 114 114 VAL HA H 1 3.606 0.02 . 1 . . . . 206 VAL HA . 19719 1 691 . 1 1 114 114 VAL C C 13 177.49 0.1 . 1 . . . . 206 VAL C . 19719 1 692 . 1 1 114 114 VAL CA C 13 66.75 0.1 . 1 . . . . 206 VAL CA . 19719 1 693 . 1 1 114 114 VAL N N 15 119.02 0.1 . 1 . . . . 206 VAL N . 19719 1 694 . 1 1 115 115 LYS H H 1 8.224 0.02 . 1 . . . . 207 LYS HN . 19719 1 695 . 1 1 115 115 LYS HA H 1 4.148 0.02 . 1 . . . . 207 LYS HA . 19719 1 696 . 1 1 115 115 LYS C C 13 179.13 0.1 . 1 . . . . 207 LYS C . 19719 1 697 . 1 1 115 115 LYS CA C 13 58.53 0.1 . 1 . . . . 207 LYS CA . 19719 1 698 . 1 1 115 115 LYS CB C 13 36.26 0.1 . 1 . . . . 207 LYS CB . 19719 1 699 . 1 1 115 115 LYS N N 15 119 0.1 . 1 . . . . 207 LYS N . 19719 1 700 . 1 1 116 116 ARG H H 1 8.509 0.02 . 1 . . . . 208 ARG HN . 19719 1 701 . 1 1 116 116 ARG HA H 1 4.068 0.02 . 1 . . . . 208 ARG HA . 19719 1 702 . 1 1 116 116 ARG HB2 H 1 1.971 0.02 . 2 . . . . 208 ARG HB1 . 19719 1 703 . 1 1 116 116 ARG HB3 H 1 1.971 0.02 . 2 . . . . 208 ARG HB2 . 19719 1 704 . 1 1 116 116 ARG C C 13 179.24 0.1 . 1 . . . . 208 ARG C . 19719 1 705 . 1 1 116 116 ARG CA C 13 59.92 0.1 . 1 . . . . 208 ARG CA . 19719 1 706 . 1 1 116 116 ARG CB C 13 29.73 0.1 . 1 . . . . 208 ARG CB . 19719 1 707 . 1 1 116 116 ARG N N 15 120.64 0.1 . 1 . . . . 208 ARG N . 19719 1 708 . 1 1 117 117 GLU H H 1 8.474 0.02 . 1 . . . . 209 GLU HN . 19719 1 709 . 1 1 117 117 GLU HA H 1 3.899 0.02 . 1 . . . . 209 GLU HA . 19719 1 710 . 1 1 117 117 GLU C C 13 180.82 0.1 . 1 . . . . 209 GLU C . 19719 1 711 . 1 1 117 117 GLU CA C 13 58.8 0.1 . 1 . . . . 209 GLU CA . 19719 1 712 . 1 1 117 117 GLU N N 15 119.85 0.1 . 1 . . . . 209 GLU N . 19719 1 713 . 1 1 118 118 TRP H H 1 8.241 0.02 . 1 . . . . 210 TRP HN . 19719 1 714 . 1 1 118 118 TRP C C 13 179.2 0.1 . 1 . . . . 210 TRP C . 19719 1 715 . 1 1 118 118 TRP CA C 13 61.44 0.1 . 1 . . . . 210 TRP CA . 19719 1 716 . 1 1 118 118 TRP CB C 13 30.39 0.1 . 1 . . . . 210 TRP CB . 19719 1 717 . 1 1 118 118 TRP N N 15 121.27 0.1 . 1 . . . . 210 TRP N . 19719 1 718 . 1 1 119 119 ILE H H 1 7.768 0.02 . 1 . . . . 211 ILE HN . 19719 1 719 . 1 1 119 119 ILE HA H 1 3.722 0.02 . 1 . . . . 211 ILE HA . 19719 1 720 . 1 1 119 119 ILE C C 13 179.22 0.1 . 1 . . . . 211 ILE C . 19719 1 721 . 1 1 119 119 ILE CA C 13 66.45 0.1 . 1 . . . . 211 ILE CA . 19719 1 722 . 1 1 119 119 ILE N N 15 120.27 0.1 . 1 . . . . 211 ILE N . 19719 1 723 . 1 1 120 120 GLU H H 1 8.13 0.02 . 1 . . . . 212 GLU HN . 19719 1 724 . 1 1 120 120 GLU HA H 1 4.114 0.02 . 1 . . . . 212 GLU HA . 19719 1 725 . 1 1 120 120 GLU C C 13 179.19 0.1 . 1 . . . . 212 GLU C . 19719 1 726 . 1 1 120 120 GLU CA C 13 59.09 0.1 . 1 . . . . 212 GLU CA . 19719 1 727 . 1 1 120 120 GLU CB C 13 29.14 0.1 . 1 . . . . 212 GLU CB . 19719 1 728 . 1 1 120 120 GLU N N 15 119.46 0.1 . 1 . . . . 212 GLU N . 19719 1 729 . 1 1 121 121 PHE H H 1 8.563 0.02 . 1 . . . . 213 PHE HN . 19719 1 730 . 1 1 121 121 PHE HA H 1 4.328 0.02 . 1 . . . . 213 PHE HA . 19719 1 731 . 1 1 121 121 PHE C C 13 177.1 0.1 . 1 . . . . 213 PHE C . 19719 1 732 . 1 1 121 121 PHE CA C 13 61.4 0.1 . 1 . . . . 213 PHE CA . 19719 1 733 . 1 1 121 121 PHE CB C 13 39.49 0.1 . 1 . . . . 213 PHE CB . 19719 1 734 . 1 1 121 121 PHE N N 15 121.88 0.1 . 1 . . . . 213 PHE N . 19719 1 735 . 1 1 122 122 ARG H H 1 8.569 0.02 . 1 . . . . 214 ARG HN . 19719 1 736 . 1 1 122 122 ARG HA H 1 3.827 0.02 . 1 . . . . 214 ARG HA . 19719 1 737 . 1 1 122 122 ARG C C 13 178.54 0.1 . 1 . . . . 214 ARG C . 19719 1 738 . 1 1 122 122 ARG CA C 13 62.1 0.1 . 1 . . . . 214 ARG CA . 19719 1 739 . 1 1 122 122 ARG N N 15 118.49 0.1 . 1 . . . . 214 ARG N . 19719 1 740 . 1 1 123 123 LYS H H 1 7.979 0.02 . 1 . . . . 215 LYS HN . 19719 1 741 . 1 1 123 123 LYS HA H 1 4.089 0.02 . 1 . . . . 215 LYS HA . 19719 1 742 . 1 1 123 123 LYS HB2 H 1 1.98 0.02 . 2 . . . . 215 LYS HB1 . 19719 1 743 . 1 1 123 123 LYS HB3 H 1 1.98 0.02 . 2 . . . . 215 LYS HB2 . 19719 1 744 . 1 1 123 123 LYS C C 13 178.54 0.1 . 1 . . . . 215 LYS C . 19719 1 745 . 1 1 123 123 LYS CA C 13 59.93 0.1 . 1 . . . . 215 LYS CA . 19719 1 746 . 1 1 123 123 LYS CB C 13 32.71 0.1 . 1 . . . . 215 LYS CB . 19719 1 747 . 1 1 123 123 LYS N N 15 119.58 0.1 . 1 . . . . 215 LYS N . 19719 1 748 . 1 1 124 124 SER H H 1 8.334 0.02 . 1 . . . . 216 SER HN . 19719 1 749 . 1 1 124 124 SER HA H 1 3.944 0.02 . 1 . . . . 216 SER HA . 19719 1 750 . 1 1 124 124 SER HB2 H 1 4.325 0.02 . 2 . . . . 216 SER HB1 . 19719 1 751 . 1 1 124 124 SER HB3 H 1 4.325 0.02 . 2 . . . . 216 SER HB2 . 19719 1 752 . 1 1 124 124 SER C C 13 176.83 0.1 . 1 . . . . 216 SER C . 19719 1 753 . 1 1 124 124 SER CA C 13 61.58 0.1 . 1 . . . . 216 SER CA . 19719 1 754 . 1 1 124 124 SER CB C 13 63.03 0.1 . 1 . . . . 216 SER CB . 19719 1 755 . 1 1 124 124 SER N N 15 114.7 0.1 . 1 . . . . 216 SER N . 19719 1 756 . 1 1 125 125 MET H H 1 8.47 0.02 . 1 . . . . 217 MET HN . 19719 1 757 . 1 1 125 125 MET HA H 1 4.364 0.02 . 1 . . . . 217 MET HA . 19719 1 758 . 1 1 125 125 MET C C 13 178.39 0.1 . 1 . . . . 217 MET C . 19719 1 759 . 1 1 125 125 MET CA C 13 57.48 0.1 . 1 . . . . 217 MET CA . 19719 1 760 . 1 1 125 125 MET CB C 13 32.22 0.1 . 1 . . . . 217 MET CB . 19719 1 761 . 1 1 125 125 MET N N 15 118.47 0.1 . 1 . . . . 217 MET N . 19719 1 762 . 1 1 126 126 PHE H H 1 7.823 0.02 . 1 . . . . 218 PHE HN . 19719 1 763 . 1 1 126 126 PHE HA H 1 4.096 0.02 . 1 . . . . 218 PHE HA . 19719 1 764 . 1 1 126 126 PHE HB2 H 1 3.282 0.02 . 2 . . . . 218 PHE HB1 . 19719 1 765 . 1 1 126 126 PHE HB3 H 1 3.282 0.02 . 2 . . . . 218 PHE HB2 . 19719 1 766 . 1 1 126 126 PHE C C 13 175.8 0.1 . 1 . . . . 218 PHE C . 19719 1 767 . 1 1 126 126 PHE CA C 13 61.69 0.1 . 1 . . . . 218 PHE CA . 19719 1 768 . 1 1 126 126 PHE CB C 13 39.05 0.1 . 1 . . . . 218 PHE CB . 19719 1 769 . 1 1 126 126 PHE N N 15 117.96 0.1 . 1 . . . . 218 PHE N . 19719 1 770 . 1 1 127 127 ASP H H 1 7.688 0.02 . 1 . . . . 219 ASP HN . 19719 1 771 . 1 1 127 127 ASP HA H 1 4.144 0.02 . 1 . . . . 219 ASP HA . 19719 1 772 . 1 1 127 127 ASP HB2 H 1 2.718 0.02 . 2 . . . . 219 ASP HB1 . 19719 1 773 . 1 1 127 127 ASP HB3 H 1 2.718 0.02 . 2 . . . . 219 ASP HB2 . 19719 1 774 . 1 1 127 127 ASP C C 13 179.45 0.1 . 1 . . . . 219 ASP C . 19719 1 775 . 1 1 127 127 ASP CA C 13 57.9 0.1 . 1 . . . . 219 ASP CA . 19719 1 776 . 1 1 127 127 ASP CB C 13 40.72 0.1 . 1 . . . . 219 ASP CB . 19719 1 777 . 1 1 127 127 ASP N N 15 117 0.1 . 1 . . . . 219 ASP N . 19719 1 778 . 1 1 128 128 VAL H H 1 8.417 0.02 . 1 . . . . 220 VAL HN . 19719 1 779 . 1 1 128 128 VAL HA H 1 3.613 0.02 . 1 . . . . 220 VAL HA . 19719 1 780 . 1 1 128 128 VAL C C 13 179.39 0.1 . 1 . . . . 220 VAL C . 19719 1 781 . 1 1 128 128 VAL CA C 13 66.22 0.1 . 1 . . . . 220 VAL CA . 19719 1 782 . 1 1 128 128 VAL N N 15 118.32 0.1 . 1 . . . . 220 VAL N . 19719 1 783 . 1 1 129 129 TRP H H 1 8.673 0.02 . 1 . . . . 221 TRP HN . 19719 1 784 . 1 1 129 129 TRP HA H 1 4.033 0.02 . 1 . . . . 221 TRP HA . 19719 1 785 . 1 1 129 129 TRP C C 13 178.53 0.1 . 1 . . . . 221 TRP C . 19719 1 786 . 1 1 129 129 TRP CA C 13 62.66 0.1 . 1 . . . . 221 TRP CA . 19719 1 787 . 1 1 129 129 TRP CB C 13 28.68 0.1 . 1 . . . . 221 TRP CB . 19719 1 788 . 1 1 129 129 TRP N N 15 119.99 0.1 . 1 . . . . 221 TRP N . 19719 1 789 . 1 1 130 130 LYS H H 1 8.329 0.02 . 1 . . . . 222 LYS HN . 19719 1 790 . 1 1 130 130 LYS HA H 1 3.893 0.02 . 1 . . . . 222 LYS HA . 19719 1 791 . 1 1 130 130 LYS HB2 H 1 1.296 0.02 . 2 . . . . 222 LYS HB1 . 19719 1 792 . 1 1 130 130 LYS HB3 H 1 1.296 0.02 . 2 . . . . 222 LYS HB2 . 19719 1 793 . 1 1 130 130 LYS C C 13 177.51 0.1 . 1 . . . . 222 LYS C . 19719 1 794 . 1 1 130 130 LYS CA C 13 61.05 0.1 . 1 . . . . 222 LYS CA . 19719 1 795 . 1 1 130 130 LYS CB C 13 31.27 0.1 . 1 . . . . 222 LYS CB . 19719 1 796 . 1 1 130 130 LYS N N 15 119.94 0.1 . 1 . . . . 222 LYS N . 19719 1 797 . 1 1 131 131 GLU H H 1 6.913 0.02 . 1 . . . . 223 GLU HN . 19719 1 798 . 1 1 131 131 GLU HA H 1 4.165 0.02 . 1 . . . . 223 GLU HA . 19719 1 799 . 1 1 131 131 GLU HB2 H 1 2.018 0.02 . 2 . . . . 223 GLU HB1 . 19719 1 800 . 1 1 131 131 GLU HB3 H 1 2.018 0.02 . 2 . . . . 223 GLU HB2 . 19719 1 801 . 1 1 131 131 GLU C C 13 179.22 0.1 . 1 . . . . 223 GLU C . 19719 1 802 . 1 1 131 131 GLU CA C 13 58.84 0.1 . 1 . . . . 223 GLU CA . 19719 1 803 . 1 1 131 131 GLU CB C 13 29.37 0.1 . 1 . . . . 223 GLU CB . 19719 1 804 . 1 1 131 131 GLU N N 15 116.09 0.1 . 1 . . . . 223 GLU N . 19719 1 805 . 1 1 132 132 LYS H H 1 8.137 0.02 . 1 . . . . 224 LYS HN . 19719 1 806 . 1 1 132 132 LYS HA H 1 4.034 0.02 . 1 . . . . 224 LYS HA . 19719 1 807 . 1 1 132 132 LYS HB2 H 1 1.559 0.02 . 2 . . . . 224 LYS HB1 . 19719 1 808 . 1 1 132 132 LYS HB3 H 1 1.559 0.02 . 2 . . . . 224 LYS HB2 . 19719 1 809 . 1 1 132 132 LYS C C 13 179.38 0.1 . 1 . . . . 224 LYS C . 19719 1 810 . 1 1 132 132 LYS CA C 13 59.79 0.1 . 1 . . . . 224 LYS CA . 19719 1 811 . 1 1 132 132 LYS CB C 13 33.52 0.1 . 1 . . . . 224 LYS CB . 19719 1 812 . 1 1 132 132 LYS N N 15 120.64 0.1 . 1 . . . . 224 LYS N . 19719 1 813 . 1 1 133 133 LEU H H 1 8.386 0.02 . 1 . . . . 225 LEU HN . 19719 1 814 . 1 1 133 133 LEU HA H 1 4.504 0.02 . 1 . . . . 225 LEU HA . 19719 1 815 . 1 1 133 133 LEU HB2 H 1 1.54 0.02 . 2 . . . . 225 LEU HB1 . 19719 1 816 . 1 1 133 133 LEU HB3 H 1 1.54 0.02 . 2 . . . . 225 LEU HB2 . 19719 1 817 . 1 1 133 133 LEU C C 13 179.14 0.1 . 1 . . . . 225 LEU C . 19719 1 818 . 1 1 133 133 LEU CA C 13 57.95 0.1 . 1 . . . . 225 LEU CA . 19719 1 819 . 1 1 133 133 LEU CB C 13 42.51 0.1 . 1 . . . . 225 LEU CB . 19719 1 820 . 1 1 133 133 LEU N N 15 116.84 0.1 . 1 . . . . 225 LEU N . 19719 1 821 . 1 1 134 134 ALA H H 1 8.649 0.02 . 1 . . . . 226 ALA HN . 19719 1 822 . 1 1 134 134 ALA HA H 1 4.042 0.02 . 1 . . . . 226 ALA HA . 19719 1 823 . 1 1 134 134 ALA HB1 H 1 1.687 0.02 . 1 . . . . 226 ALA HB1 . 19719 1 824 . 1 1 134 134 ALA HB2 H 1 1.687 0.02 . 1 . . . . 226 ALA HB1 . 19719 1 825 . 1 1 134 134 ALA HB3 H 1 1.687 0.02 . 1 . . . . 226 ALA HB1 . 19719 1 826 . 1 1 134 134 ALA C C 13 179.91 0.1 . 1 . . . . 226 ALA C . 19719 1 827 . 1 1 134 134 ALA CA C 13 56.65 0.1 . 1 . . . . 226 ALA CA . 19719 1 828 . 1 1 134 134 ALA CB C 13 18.56 0.1 . 1 . . . . 226 ALA CB . 19719 1 829 . 1 1 134 134 ALA N N 15 122.55 0.1 . 1 . . . . 226 ALA N . 19719 1 830 . 1 1 135 135 SER H H 1 8.156 0.02 . 1 . . . . 227 SER HN . 19719 1 831 . 1 1 135 135 SER HA H 1 4.271 0.02 . 1 . . . . 227 SER HA . 19719 1 832 . 1 1 135 135 SER HB2 H 1 4.113 0.02 . 2 . . . . 227 SER HB1 . 19719 1 833 . 1 1 135 135 SER HB3 H 1 4.113 0.02 . 2 . . . . 227 SER HB2 . 19719 1 834 . 1 1 135 135 SER C C 13 177.14 0.1 . 1 . . . . 227 SER C . 19719 1 835 . 1 1 135 135 SER CA C 13 62.07 0.1 . 1 . . . . 227 SER CA . 19719 1 836 . 1 1 135 135 SER CB C 13 62.94 0.1 . 1 . . . . 227 SER CB . 19719 1 837 . 1 1 135 135 SER N N 15 112.31 0.1 . 1 . . . . 227 SER N . 19719 1 838 . 1 1 136 136 GLU H H 1 7.868 0.02 . 1 . . . . 228 GLU HN . 19719 1 839 . 1 1 136 136 GLU HA H 1 4.223 0.02 . 1 . . . . 228 GLU HA . 19719 1 840 . 1 1 136 136 GLU C C 13 179.83 0.1 . 1 . . . . 228 GLU C . 19719 1 841 . 1 1 136 136 GLU CA C 13 60.02 0.1 . 1 . . . . 228 GLU CA . 19719 1 842 . 1 1 136 136 GLU CB C 13 30 0.1 . 1 . . . . 228 GLU CB . 19719 1 843 . 1 1 136 136 GLU N N 15 121.56 0.1 . 1 . . . . 228 GLU N . 19719 1 844 . 1 1 137 137 PHE H H 1 9.207 0.02 . 1 . . . . 229 PHE HN . 19719 1 845 . 1 1 137 137 PHE HA H 1 4.283 0.02 . 1 . . . . 229 PHE HA . 19719 1 846 . 1 1 137 137 PHE C C 13 177.97 0.1 . 1 . . . . 229 PHE C . 19719 1 847 . 1 1 137 137 PHE CA C 13 62.41 0.1 . 1 . . . . 229 PHE CA . 19719 1 848 . 1 1 137 137 PHE CB C 13 39.05 0.1 . 1 . . . . 229 PHE CB . 19719 1 849 . 1 1 137 137 PHE N N 15 119.09 0.1 . 1 . . . . 229 PHE N . 19719 1 850 . 1 1 138 138 ARG H H 1 8.728 0.02 . 1 . . . . 230 ARG HN . 19719 1 851 . 1 1 138 138 ARG HA H 1 3.643 0.02 . 1 . . . . 230 ARG HA . 19719 1 852 . 1 1 138 138 ARG HB2 H 1 2.004 0.02 . 2 . . . . 230 ARG HB1 . 19719 1 853 . 1 1 138 138 ARG HB3 H 1 2.004 0.02 . 2 . . . . 230 ARG HB2 . 19719 1 854 . 1 1 138 138 ARG C C 13 177.65 0.1 . 1 . . . . 230 ARG C . 19719 1 855 . 1 1 138 138 ARG CA C 13 60.48 0.1 . 1 . . . . 230 ARG CA . 19719 1 856 . 1 1 138 138 ARG CB C 13 30 0.1 . 1 . . . . 230 ARG CB . 19719 1 857 . 1 1 138 138 ARG N N 15 119.62 0.1 . 1 . . . . 230 ARG N . 19719 1 858 . 1 1 139 139 GLU H H 1 7.941 0.02 . 1 . . . . 231 GLU HN . 19719 1 859 . 1 1 139 139 GLU HA H 1 3.945 0.02 . 1 . . . . 231 GLU HA . 19719 1 860 . 1 1 139 139 GLU HB2 H 1 2.162 0.02 . 2 . . . . 231 GLU HB1 . 19719 1 861 . 1 1 139 139 GLU HB3 H 1 2.162 0.02 . 2 . . . . 231 GLU HB2 . 19719 1 862 . 1 1 139 139 GLU C C 13 179.3 0.1 . 1 . . . . 231 GLU C . 19719 1 863 . 1 1 139 139 GLU CA C 13 59.85 0.1 . 1 . . . . 231 GLU CA . 19719 1 864 . 1 1 139 139 GLU CB C 13 29.44 0.1 . 1 . . . . 231 GLU CB . 19719 1 865 . 1 1 139 139 GLU N N 15 118.23 0.1 . 1 . . . . 231 GLU N . 19719 1 866 . 1 1 140 140 HIS H H 1 7.909 0.02 . 1 . . . . 232 HIS HN . 19719 1 867 . 1 1 140 140 HIS HA H 1 4.164 0.02 . 1 . . . . 232 HIS HA . 19719 1 868 . 1 1 140 140 HIS C C 13 177.43 0.1 . 1 . . . . 232 HIS C . 19719 1 869 . 1 1 140 140 HIS CA C 13 60.04 0.1 . 1 . . . . 232 HIS CA . 19719 1 870 . 1 1 140 140 HIS CB C 13 30.25 0.1 . 1 . . . . 232 HIS CB . 19719 1 871 . 1 1 140 140 HIS N N 15 119.63 0.1 . 1 . . . . 232 HIS N . 19719 1 872 . 1 1 141 141 GLY H H 1 8.556 0.02 . 1 . . . . 233 GLY HN . 19719 1 873 . 1 1 141 141 GLY HA2 H 1 3.278 0.02 . 2 . . . . 233 GLY HA . 19719 1 874 . 1 1 141 141 GLY HA3 H 1 3.278 0.02 . 2 . . . . 233 GLY HA . 19719 1 875 . 1 1 141 141 GLY C C 13 175.54 0.1 . 1 . . . . 233 GLY C . 19719 1 876 . 1 1 141 141 GLY CA C 13 47.23 0.1 . 1 . . . . 233 GLY CA . 19719 1 877 . 1 1 141 141 GLY N N 15 105.96 0.1 . 1 . . . . 233 GLY N . 19719 1 878 . 1 1 142 142 GLU H H 1 8.364 0.02 . 1 . . . . 234 GLU HN . 19719 1 879 . 1 1 142 142 GLU HA H 1 3.998 0.02 . 1 . . . . 234 GLU HA . 19719 1 880 . 1 1 142 142 GLU HB2 H 1 2.033 0.02 . 2 . . . . 234 GLU HB1 . 19719 1 881 . 1 1 142 142 GLU HB3 H 1 2.033 0.02 . 2 . . . . 234 GLU HB2 . 19719 1 882 . 1 1 142 142 GLU C C 13 179.6 0.1 . 1 . . . . 234 GLU C . 19719 1 883 . 1 1 142 142 GLU CA C 13 59.47 0.1 . 1 . . . . 234 GLU CA . 19719 1 884 . 1 1 142 142 GLU CB C 13 29.13 0.1 . 1 . . . . 234 GLU CB . 19719 1 885 . 1 1 142 142 GLU N N 15 121.15 0.1 . 1 . . . . 234 GLU N . 19719 1 886 . 1 1 143 143 MET H H 1 7.61 0.02 . 1 . . . . 235 MET HN . 19719 1 887 . 1 1 143 143 MET HA H 1 4.106 0.02 . 1 . . . . 235 MET HA . 19719 1 888 . 1 1 143 143 MET HB2 H 1 2.154 0.02 . 2 . . . . 235 MET HB1 . 19719 1 889 . 1 1 143 143 MET HB3 H 1 2.154 0.02 . 2 . . . . 235 MET HB2 . 19719 1 890 . 1 1 143 143 MET C C 13 179.28 0.1 . 1 . . . . 235 MET C . 19719 1 891 . 1 1 143 143 MET CA C 13 59.06 0.1 . 1 . . . . 235 MET CA . 19719 1 892 . 1 1 143 143 MET CB C 13 30.94 0.1 . 1 . . . . 235 MET CB . 19719 1 893 . 1 1 143 143 MET N N 15 121.12 0.1 . 1 . . . . 235 MET N . 19719 1 894 . 1 1 144 144 LEU H H 1 8.243 0.02 . 1 . . . . 236 LEU HN . 19719 1 895 . 1 1 144 144 LEU HA H 1 3.865 0.02 . 1 . . . . 236 LEU HA . 19719 1 896 . 1 1 144 144 LEU C C 13 179.91 0.1 . 1 . . . . 236 LEU C . 19719 1 897 . 1 1 144 144 LEU CA C 13 57.78 0.1 . 1 . . . . 236 LEU CA . 19719 1 898 . 1 1 144 144 LEU CB C 13 41.3 0.1 . 1 . . . . 236 LEU CB . 19719 1 899 . 1 1 144 144 LEU N N 15 120.75 0.1 . 1 . . . . 236 LEU N . 19719 1 900 . 1 1 145 145 ASN H H 1 8.26 0.02 . 1 . . . . 237 ASN HN . 19719 1 901 . 1 1 145 145 ASN HA H 1 4.521 0.02 . 1 . . . . 237 ASN HA . 19719 1 902 . 1 1 145 145 ASN HB2 H 1 2.98 0.02 . 2 . . . . 237 ASN HB1 . 19719 1 903 . 1 1 145 145 ASN HB3 H 1 2.98 0.02 . 2 . . . . 237 ASN HB2 . 19719 1 904 . 1 1 145 145 ASN C C 13 177.7 0.1 . 1 . . . . 237 ASN C . 19719 1 905 . 1 1 145 145 ASN CA C 13 55.57 0.1 . 1 . . . . 237 ASN CA . 19719 1 906 . 1 1 145 145 ASN CB C 13 39.99 0.1 . 1 . . . . 237 ASN CB . 19719 1 907 . 1 1 145 145 ASN N N 15 117.79 0.1 . 1 . . . . 237 ASN N . 19719 1 908 . 1 1 146 146 GLN H H 1 7.92 0.02 . 1 . . . . 238 GLN HN . 19719 1 909 . 1 1 146 146 GLN HA H 1 4.138 0.02 . 1 . . . . 238 GLN HA . 19719 1 910 . 1 1 146 146 GLN HB2 H 1 2.229 0.02 . 2 . . . . 238 GLN HB1 . 19719 1 911 . 1 1 146 146 GLN HB3 H 1 2.229 0.02 . 2 . . . . 238 GLN HB2 . 19719 1 912 . 1 1 146 146 GLN C C 13 178.2 0.1 . 1 . . . . 238 GLN C . 19719 1 913 . 1 1 146 146 GLN CA C 13 58.66 0.1 . 1 . . . . 238 GLN CA . 19719 1 914 . 1 1 146 146 GLN CB C 13 28.39 0.1 . 1 . . . . 238 GLN CB . 19719 1 915 . 1 1 146 146 GLN N N 15 119.65 0.1 . 1 . . . . 238 GLN N . 19719 1 916 . 1 1 147 147 LYS H H 1 7.997 0.02 . 1 . . . . 239 LYS HN . 19719 1 917 . 1 1 147 147 LYS HA H 1 4.116 0.02 . 1 . . . . 239 LYS HA . 19719 1 918 . 1 1 147 147 LYS HB2 H 1 1.937 0.02 . 2 . . . . 239 LYS HB1 . 19719 1 919 . 1 1 147 147 LYS HB3 H 1 1.937 0.02 . 2 . . . . 239 LYS HB2 . 19719 1 920 . 1 1 147 147 LYS C C 13 178.72 0.1 . 1 . . . . 239 LYS C . 19719 1 921 . 1 1 147 147 LYS CA C 13 58.63 0.1 . 1 . . . . 239 LYS CA . 19719 1 922 . 1 1 147 147 LYS CB C 13 32.5 0.1 . 1 . . . . 239 LYS CB . 19719 1 923 . 1 1 147 147 LYS N N 15 119.47 0.1 . 1 . . . . 239 LYS N . 19719 1 924 . 1 1 148 148 ARG H H 1 8.107 0.02 . 1 . . . . 240 ARG HN . 19719 1 925 . 1 1 148 148 ARG HA H 1 4.146 0.02 . 1 . . . . 240 ARG HA . 19719 1 926 . 1 1 148 148 ARG HB2 H 1 1.953 0.02 . 2 . . . . 240 ARG HB1 . 19719 1 927 . 1 1 148 148 ARG HB3 H 1 1.953 0.02 . 2 . . . . 240 ARG HB2 . 19719 1 928 . 1 1 148 148 ARG C C 13 177.67 0.1 . 1 . . . . 240 ARG C . 19719 1 929 . 1 1 148 148 ARG CA C 13 58.32 0.1 . 1 . . . . 240 ARG CA . 19719 1 930 . 1 1 148 148 ARG CB C 13 30.73 0.1 . 1 . . . . 240 ARG CB . 19719 1 931 . 1 1 148 148 ARG N N 15 119.04 0.1 . 1 . . . . 240 ARG N . 19719 1 932 . 1 1 149 149 LYS H H 1 7.724 0.02 . 1 . . . . 241 LYS HN . 19719 1 933 . 1 1 149 149 LYS HA H 1 4.198 0.02 . 1 . . . . 241 LYS HA . 19719 1 934 . 1 1 149 149 LYS HB2 H 1 1.895 0.02 . 2 . . . . 241 LYS HB1 . 19719 1 935 . 1 1 149 149 LYS HB3 H 1 1.895 0.02 . 2 . . . . 241 LYS HB2 . 19719 1 936 . 1 1 149 149 LYS C C 13 177.29 0.1 . 1 . . . . 241 LYS C . 19719 1 937 . 1 1 149 149 LYS CA C 13 57.81 0.1 . 1 . . . . 241 LYS CA . 19719 1 938 . 1 1 149 149 LYS CB C 13 32.67 0.1 . 1 . . . . 241 LYS CB . 19719 1 939 . 1 1 149 149 LYS N N 15 119.4 0.1 . 1 . . . . 241 LYS N . 19719 1 940 . 1 1 150 150 LEU H H 1 7.742 0.02 . 1 . . . . 242 LEU HN . 19719 1 941 . 1 1 150 150 LEU HA H 1 4.294 0.02 . 1 . . . . 242 LEU HA . 19719 1 942 . 1 1 150 150 LEU HB2 H 1 1.747 0.02 . 2 . . . . 242 LEU HB1 . 19719 1 943 . 1 1 150 150 LEU HB3 H 1 1.612 0.02 . 2 . . . . 242 LEU HB2 . 19719 1 944 . 1 1 150 150 LEU C C 13 177.58 0.1 . 1 . . . . 242 LEU C . 19719 1 945 . 1 1 150 150 LEU CA C 13 55.76 0.1 . 1 . . . . 242 LEU CA . 19719 1 946 . 1 1 150 150 LEU CB C 13 42.36 0.1 . 1 . . . . 242 LEU CB . 19719 1 947 . 1 1 150 150 LEU N N 15 120.47 0.1 . 1 . . . . 242 LEU N . 19719 1 948 . 1 1 151 151 LYS H H 1 7.996 0.02 . 1 . . . . 243 LYS HN . 19719 1 949 . 1 1 151 151 LYS HA H 1 4.275 0.02 . 1 . . . . 243 LYS HA . 19719 1 950 . 1 1 151 151 LYS HB2 H 1 1.829 0.02 . 2 . . . . 243 LYS HB1 . 19719 1 951 . 1 1 151 151 LYS HB3 H 1 1.829 0.02 . 2 . . . . 243 LYS HB2 . 19719 1 952 . 1 1 151 151 LYS C C 13 176.63 0.1 . 1 . . . . 243 LYS C . 19719 1 953 . 1 1 151 151 LYS CA C 13 56.39 0.1 . 1 . . . . 243 LYS CA . 19719 1 954 . 1 1 151 151 LYS CB C 13 32.59 0.1 . 1 . . . . 243 LYS CB . 19719 1 955 . 1 1 151 151 LYS N N 15 120.13 0.1 . 1 . . . . 243 LYS N . 19719 1 956 . 1 1 152 152 GLN H H 1 8.161 0.02 . 1 . . . . 244 GLN HN . 19719 1 957 . 1 1 152 152 GLN HA H 1 4.258 0.02 . 1 . . . . 244 GLN HA . 19719 1 958 . 1 1 152 152 GLN HB2 H 1 2.016 0.02 . 2 . . . . 244 GLN HB1 . 19719 1 959 . 1 1 152 152 GLN HB3 H 1 2.016 0.02 . 2 . . . . 244 GLN HB2 . 19719 1 960 . 1 1 152 152 GLN C C 13 175.75 0.1 . 1 . . . . 244 GLN C . 19719 1 961 . 1 1 152 152 GLN CA C 13 56.44 0.1 . 1 . . . . 244 GLN CA . 19719 1 962 . 1 1 152 152 GLN CB C 13 29.35 0.1 . 1 . . . . 244 GLN CB . 19719 1 963 . 1 1 152 152 GLN N N 15 119.99 0.1 . 1 . . . . 244 GLN N . 19719 1 964 . 1 1 153 153 HIS H H 1 8.162 0.02 . 1 . . . . 245 HIS HN . 19719 1 965 . 1 1 153 153 HIS HA H 1 4.64 0.02 . 1 . . . . 245 HIS HA . 19719 1 966 . 1 1 153 153 HIS C C 13 174.87 0.1 . 1 . . . . 245 HIS C . 19719 1 967 . 1 1 153 153 HIS CA C 13 56.35 0.1 . 1 . . . . 245 HIS CA . 19719 1 968 . 1 1 153 153 HIS CB C 13 30.56 0.1 . 1 . . . . 245 HIS CB . 19719 1 969 . 1 1 153 153 HIS N N 15 118.96 0.1 . 1 . . . . 245 HIS N . 19719 1 970 . 1 1 154 154 GLU H H 1 8.194 0.02 . 1 . . . . 246 GLU HN . 19719 1 971 . 1 1 154 154 GLU HA H 1 4.311 0.02 . 1 . . . . 246 GLU HA . 19719 1 972 . 1 1 154 154 GLU HB2 H 1 2.076 0.02 . 2 . . . . 246 GLU HB1 . 19719 1 973 . 1 1 154 154 GLU HB3 H 1 1.926 0.02 . 2 . . . . 246 GLU HB2 . 19719 1 974 . 1 1 154 154 GLU C C 13 175.22 0.1 . 1 . . . . 246 GLU C . 19719 1 975 . 1 1 154 154 GLU CA C 13 56.67 0.1 . 1 . . . . 246 GLU CA . 19719 1 976 . 1 1 154 154 GLU CB C 13 30.6 0.1 . 1 . . . . 246 GLU CB . 19719 1 977 . 1 1 154 154 GLU N N 15 122.02 0.1 . 1 . . . . 246 GLU N . 19719 1 978 . 1 1 155 155 LEU H H 1 7.764 0.02 . 1 . . . . 247 LEU HN . 19719 1 979 . 1 1 155 155 LEU C C 13 182.27 0.1 . 1 . . . . 247 LEU C . 19719 1 980 . 1 1 155 155 LEU CA C 13 56.81 0.1 . 1 . . . . 247 LEU CA . 19719 1 981 . 1 1 155 155 LEU N N 15 128.45 0.1 . 1 . . . . 247 LEU N . 19719 1 stop_ save_