data_5564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5564 _Entry.Title ; 1H, 13C and 15N resonance assignment of kinase-interacting FHA domain of Arabidopsis kinase associasted protein phosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-17 _Entry.Accession_date 2002-10-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Gui-in Lee . . . 5564 2 Steven 'Van Doren' . R. . 5564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 861 5564 '13C chemical shifts' 548 5564 '15N chemical shifts' 116 5564 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 . . 2003-06-26 . update BMRB 'addition of relationship loop' 5564 2 . . 2003-03-18 . original author 'original release' 5564 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5841 'Relaxation and H-exchange data of the protein' 5564 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5564 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the kinase-interacting FHA domain of Arabidopsis thaliana kinase-associated protein phosphatase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 253 _Citation.Page_last 254 _Citation.Year 2003 _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.Entry_ID _Citation_author.Citation_ID 1 Gui-in Lee . . . 5564 1 2 Jia Li . . . 5564 1 3 John Walker . C. . 5564 1 4 Steven 'Van Doren' . R. . 5564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_KAPP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_KAPP _Assembly.Entry_ID 5564 _Assembly.ID 1 _Assembly.Name 'kinase associated protein phosphatase kinase interaction domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.3.16 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5564 1 stop_ 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 'KAPP kinase interaction domain' 1 $KAPP . . . native . . . . . 5564 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 1MZK . . . . . . 5564 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'kinase associated protein phosphatase kinase interaction domain' system 5564 1 KAPP abbreviation 5564 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphoprotein binding domain' 5564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KAPP _Entity.Sf_category entity _Entity.Sf_framecode KAPP _Entity.Entry_ID 5564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'kinase associated protein phosphatase' _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 ; GPLGSSWLFLEVIAGPAIGL QHAVNSTSSSKLPVKLGRVS PSDLALKDSEVSGKHAQITW NSTKFKWELVDMGSLNGTLV NSHSISHPDLGSRKWGNPVE LASDDIITLGTTTKVYVRIS SQNEFQIPFKIGVASDPMA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14786 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This molecule has five residue linker G-P-L-S-S, originated from Glutathione-S-transferase tag at N terminus. The 15 residues on the C terminus, spanning residues 299-313, are unstructured. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 no BMRB 5841 . KAPP . . . . . 100.00 139 100.00 100.00 6.27e-94 . . . . 5564 1 2 no PDB 1MZK . "Nmr Structure Of Kinase-Interacting Fha Domain Of Kinase Associated Protein Phosphatase, Kapp In Arabidopsis" . . . . . 100.00 139 100.00 100.00 6.27e-94 . . . . 5564 1 3 no GB AAB38148 . "kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 4 no GB AAK76527 . "putative kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 5 no GB AAM51227 . "putative kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 6 no GB AED92679 . "kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 7 no GB AED92680 . "kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 591 100.00 100.00 1.84e-86 . . . . 5564 1 8 no REF NP_001154720 . "kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 591 100.00 100.00 1.84e-86 . . . . 5564 1 9 no REF NP_197429 . "kinase associated protein phosphatase [Arabidopsis thaliana]" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 10 no SP P46014 . "RecName: Full=Protein phosphatase 2C 70; Short=AtPP2C70; AltName: Full=Kinase-associated protein phosphatase [Arabidopsis thali" . . . . . 96.40 581 100.00 100.00 2.16e-86 . . . . 5564 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'kinase associated protein phosphatase' common 5564 1 KAPP abbreviation 5564 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 1 GLY . 5564 1 2 2 PRO . 5564 1 3 3 LEU . 5564 1 4 4 GLY . 5564 1 5 5 SER . 5564 1 6 180 SER . 5564 1 7 181 TRP . 5564 1 8 182 LEU . 5564 1 9 183 PHE . 5564 1 10 184 LEU . 5564 1 11 185 GLU . 5564 1 12 186 VAL . 5564 1 13 187 ILE . 5564 1 14 188 ALA . 5564 1 15 189 GLY . 5564 1 16 190 PRO . 5564 1 17 191 ALA . 5564 1 18 192 ILE . 5564 1 19 193 GLY . 5564 1 20 194 LEU . 5564 1 21 195 GLN . 5564 1 22 196 HIS . 5564 1 23 197 ALA . 5564 1 24 198 VAL . 5564 1 25 199 ASN . 5564 1 26 200 SER . 5564 1 27 201 THR . 5564 1 28 202 SER . 5564 1 29 203 SER . 5564 1 30 204 SER . 5564 1 31 205 LYS . 5564 1 32 206 LEU . 5564 1 33 207 PRO . 5564 1 34 208 VAL . 5564 1 35 209 LYS . 5564 1 36 210 LEU . 5564 1 37 211 GLY . 5564 1 38 212 ARG . 5564 1 39 213 VAL . 5564 1 40 214 SER . 5564 1 41 215 PRO . 5564 1 42 216 SER . 5564 1 43 217 ASP . 5564 1 44 218 LEU . 5564 1 45 219 ALA . 5564 1 46 220 LEU . 5564 1 47 221 LYS . 5564 1 48 222 ASP . 5564 1 49 223 SER . 5564 1 50 224 GLU . 5564 1 51 225 VAL . 5564 1 52 226 SER . 5564 1 53 227 GLY . 5564 1 54 228 LYS . 5564 1 55 229 HIS . 5564 1 56 230 ALA . 5564 1 57 231 GLN . 5564 1 58 232 ILE . 5564 1 59 233 THR . 5564 1 60 234 TRP . 5564 1 61 235 ASN . 5564 1 62 236 SER . 5564 1 63 237 THR . 5564 1 64 238 LYS . 5564 1 65 239 PHE . 5564 1 66 240 LYS . 5564 1 67 241 TRP . 5564 1 68 242 GLU . 5564 1 69 243 LEU . 5564 1 70 244 VAL . 5564 1 71 245 ASP . 5564 1 72 246 MET . 5564 1 73 247 GLY . 5564 1 74 248 SER . 5564 1 75 249 LEU . 5564 1 76 250 ASN . 5564 1 77 251 GLY . 5564 1 78 252 THR . 5564 1 79 253 LEU . 5564 1 80 254 VAL . 5564 1 81 255 ASN . 5564 1 82 256 SER . 5564 1 83 257 HIS . 5564 1 84 258 SER . 5564 1 85 259 ILE . 5564 1 86 260 SER . 5564 1 87 261 HIS . 5564 1 88 262 PRO . 5564 1 89 263 ASP . 5564 1 90 264 LEU . 5564 1 91 265 GLY . 5564 1 92 266 SER . 5564 1 93 267 ARG . 5564 1 94 268 LYS . 5564 1 95 269 TRP . 5564 1 96 270 GLY . 5564 1 97 271 ASN . 5564 1 98 272 PRO . 5564 1 99 273 VAL . 5564 1 100 274 GLU . 5564 1 101 275 LEU . 5564 1 102 276 ALA . 5564 1 103 277 SER . 5564 1 104 278 ASP . 5564 1 105 279 ASP . 5564 1 106 280 ILE . 5564 1 107 281 ILE . 5564 1 108 282 THR . 5564 1 109 283 LEU . 5564 1 110 284 GLY . 5564 1 111 285 THR . 5564 1 112 286 THR . 5564 1 113 287 THR . 5564 1 114 288 LYS . 5564 1 115 289 VAL . 5564 1 116 290 TYR . 5564 1 117 291 VAL . 5564 1 118 292 ARG . 5564 1 119 293 ILE . 5564 1 120 294 SER . 5564 1 121 295 SER . 5564 1 122 296 GLN . 5564 1 123 297 ASN . 5564 1 124 298 GLU . 5564 1 125 299 PHE . 5564 1 126 300 GLN . 5564 1 127 301 ILE . 5564 1 128 302 PRO . 5564 1 129 303 PHE . 5564 1 130 304 LYS . 5564 1 131 305 ILE . 5564 1 132 306 GLY . 5564 1 133 307 VAL . 5564 1 134 308 ALA . 5564 1 135 309 SER . 5564 1 136 310 ASP . 5564 1 137 311 PRO . 5564 1 138 312 MET . 5564 1 139 313 ALA . 5564 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 5564 1 . PRO 2 2 5564 1 . LEU 3 3 5564 1 . GLY 4 4 5564 1 . SER 5 5 5564 1 . SER 6 6 5564 1 . TRP 7 7 5564 1 . LEU 8 8 5564 1 . PHE 9 9 5564 1 . LEU 10 10 5564 1 . GLU 11 11 5564 1 . VAL 12 12 5564 1 . ILE 13 13 5564 1 . ALA 14 14 5564 1 . GLY 15 15 5564 1 . PRO 16 16 5564 1 . ALA 17 17 5564 1 . ILE 18 18 5564 1 . GLY 19 19 5564 1 . LEU 20 20 5564 1 . GLN 21 21 5564 1 . HIS 22 22 5564 1 . ALA 23 23 5564 1 . VAL 24 24 5564 1 . ASN 25 25 5564 1 . SER 26 26 5564 1 . THR 27 27 5564 1 . SER 28 28 5564 1 . SER 29 29 5564 1 . SER 30 30 5564 1 . LYS 31 31 5564 1 . LEU 32 32 5564 1 . PRO 33 33 5564 1 . VAL 34 34 5564 1 . LYS 35 35 5564 1 . LEU 36 36 5564 1 . GLY 37 37 5564 1 . ARG 38 38 5564 1 . VAL 39 39 5564 1 . SER 40 40 5564 1 . PRO 41 41 5564 1 . SER 42 42 5564 1 . ASP 43 43 5564 1 . LEU 44 44 5564 1 . ALA 45 45 5564 1 . LEU 46 46 5564 1 . LYS 47 47 5564 1 . ASP 48 48 5564 1 . SER 49 49 5564 1 . GLU 50 50 5564 1 . VAL 51 51 5564 1 . SER 52 52 5564 1 . GLY 53 53 5564 1 . LYS 54 54 5564 1 . HIS 55 55 5564 1 . ALA 56 56 5564 1 . GLN 57 57 5564 1 . ILE 58 58 5564 1 . THR 59 59 5564 1 . TRP 60 60 5564 1 . ASN 61 61 5564 1 . SER 62 62 5564 1 . THR 63 63 5564 1 . LYS 64 64 5564 1 . PHE 65 65 5564 1 . LYS 66 66 5564 1 . TRP 67 67 5564 1 . GLU 68 68 5564 1 . LEU 69 69 5564 1 . VAL 70 70 5564 1 . ASP 71 71 5564 1 . MET 72 72 5564 1 . GLY 73 73 5564 1 . SER 74 74 5564 1 . LEU 75 75 5564 1 . ASN 76 76 5564 1 . GLY 77 77 5564 1 . THR 78 78 5564 1 . LEU 79 79 5564 1 . VAL 80 80 5564 1 . ASN 81 81 5564 1 . SER 82 82 5564 1 . HIS 83 83 5564 1 . SER 84 84 5564 1 . ILE 85 85 5564 1 . SER 86 86 5564 1 . HIS 87 87 5564 1 . PRO 88 88 5564 1 . ASP 89 89 5564 1 . LEU 90 90 5564 1 . GLY 91 91 5564 1 . SER 92 92 5564 1 . ARG 93 93 5564 1 . LYS 94 94 5564 1 . TRP 95 95 5564 1 . GLY 96 96 5564 1 . ASN 97 97 5564 1 . PRO 98 98 5564 1 . VAL 99 99 5564 1 . GLU 100 100 5564 1 . LEU 101 101 5564 1 . ALA 102 102 5564 1 . SER 103 103 5564 1 . ASP 104 104 5564 1 . ASP 105 105 5564 1 . ILE 106 106 5564 1 . ILE 107 107 5564 1 . THR 108 108 5564 1 . LEU 109 109 5564 1 . GLY 110 110 5564 1 . THR 111 111 5564 1 . THR 112 112 5564 1 . THR 113 113 5564 1 . LYS 114 114 5564 1 . VAL 115 115 5564 1 . TYR 116 116 5564 1 . VAL 117 117 5564 1 . ARG 118 118 5564 1 . ILE 119 119 5564 1 . SER 120 120 5564 1 . SER 121 121 5564 1 . GLN 122 122 5564 1 . ASN 123 123 5564 1 . GLU 124 124 5564 1 . PHE 125 125 5564 1 . GLN 126 126 5564 1 . ILE 127 127 5564 1 . PRO 128 128 5564 1 . PHE 129 129 5564 1 . LYS 130 130 5564 1 . ILE 131 131 5564 1 . GLY 132 132 5564 1 . VAL 133 133 5564 1 . ALA 134 134 5564 1 . SER 135 135 5564 1 . ASP 136 136 5564 1 . PRO 137 137 5564 1 . MET 138 138 5564 1 . ALA 139 139 5564 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 5564 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KAPP . 3702 . . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 5564 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 5564 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KAPP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_KI-FHA_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode KI-FHA_sample_1 _Sample.Entry_ID 5564 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kinase associated protein phosphatase' '[U-100% 13C; U-100% 15N]' . . 1 $KAPP . . 0.6 . . mM . . . . 5564 1 2 'soduim phosphate' . . . . . . . 20 . . mM . . . . 5564 1 3 NaCl . . . . . . . 120 . . mM . . . . 5564 1 4 D2O . . . . . . . 7 . . % . . . . 5564 1 stop_ save_ save_KI-FHA_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode KI-FHA_sample_2 _Sample.Entry_ID 5564 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kinase associated protein phosphatase' '[U-13% 13C]' . . 1 $KAPP . . 0.6 . . mM . . . . 5564 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-con1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-con1 _Sample_condition_list.Entry_ID 5564 _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 pH 6.3 0.2 n/a 5564 1 temperature 295 1 K 5564 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5564 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5564 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 5564 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5564 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 5564 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 3 (HA)CA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 4 HN(CA)HA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 5 HA(CACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 7 HACACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 9 CCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 11 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 12 '13C HSMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 13 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5564 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name (HA)CA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)HA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HA(CACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HACACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C HSMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5564 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5564 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5564 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5564 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5564 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-con1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $KI-FHA_sample_1 . 5564 1 . . 2 $KI-FHA_sample_2 . 5564 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 C C 13 176.97 0.10 . 1 . . . . 2 . . . 5564 1 2 . 1 1 2 2 PRO CA C 13 63.05 0.10 . 1 . . . . 2 . . . 5564 1 3 . 1 1 2 2 PRO CB C 13 32.32 0.10 . 1 . . . . 2 . . . 5564 1 4 . 1 1 2 2 PRO CD C 13 49.68 0.10 . 1 . . . . 2 . . . 5564 1 5 . 1 1 2 2 PRO CG C 13 27.05 0.10 . 1 . . . . 2 . . . 5564 1 6 . 1 1 2 2 PRO HA H 1 4.37 0.03 . 1 . . . . 2 . . . 5564 1 7 . 1 1 2 2 PRO HB2 H 1 2.18 0.03 . 2 . . . . 2 . . . 5564 1 8 . 1 1 2 2 PRO HB3 H 1 2.12 0.03 . 2 . . . . 2 . . . 5564 1 9 . 1 1 2 2 PRO HD2 H 1 3.41 0.03 . 1 . . . . 2 . . . 5564 1 10 . 1 1 2 2 PRO HD3 H 1 3.41 0.03 . 1 . . . . 2 . . . 5564 1 11 . 1 1 2 2 PRO HG2 H 1 1.88 0.03 . 2 . . . . 2 . . . 5564 1 12 . 1 1 2 2 PRO HG3 H 1 1.79 0.03 . 2 . . . . 2 . . . 5564 1 13 . 1 1 3 3 LEU C C 13 177.77 0.10 . 1 . . . . 3 . . . 5564 1 14 . 1 1 3 3 LEU CA C 13 55.50 0.10 . 1 . . . . 3 . . . 5564 1 15 . 1 1 3 3 LEU CB C 13 42.39 0.10 . 1 . . . . 3 . . . 5564 1 16 . 1 1 3 3 LEU CD1 C 13 24.82 0.10 . 1 . . . . 3 . . . 5564 1 17 . 1 1 3 3 LEU CD2 C 13 23.50 0.10 . 1 . . . . 3 . . . 5564 1 18 . 1 1 3 3 LEU CG C 13 27.11 0.10 . 1 . . . . 3 . . . 5564 1 19 . 1 1 3 3 LEU H H 1 8.39 0.03 . 1 . . . . 3 . . . 5564 1 20 . 1 1 3 3 LEU HA H 1 4.25 0.03 . 1 . . . . 3 . . . 5564 1 21 . 1 1 3 3 LEU HB2 H 1 1.55 0.03 . 2 . . . . 3 . . . 5564 1 22 . 1 1 3 3 LEU HB3 H 1 1.48 0.03 . 2 . . . . 3 . . . 5564 1 23 . 1 1 3 3 LEU HD11 H 1 0.84 0.03 . 1 . . . . 3 . . . 5564 1 24 . 1 1 3 3 LEU HD12 H 1 0.84 0.03 . 1 . . . . 3 . . . 5564 1 25 . 1 1 3 3 LEU HD13 H 1 0.84 0.03 . 1 . . . . 3 . . . 5564 1 26 . 1 1 3 3 LEU HD21 H 1 0.79 0.03 . 1 . . . . 3 . . . 5564 1 27 . 1 1 3 3 LEU HD22 H 1 0.79 0.03 . 1 . . . . 3 . . . 5564 1 28 . 1 1 3 3 LEU HD23 H 1 0.79 0.03 . 1 . . . . 3 . . . 5564 1 29 . 1 1 3 3 LEU HG H 1 1.56 0.03 . 1 . . . . 3 . . . 5564 1 30 . 1 1 3 3 LEU N N 15 123.27 0.02 . 1 . . . . 3 . . . 5564 1 31 . 1 1 4 4 GLY C C 13 173.42 0.10 . 1 . . . . 4 . . . 5564 1 32 . 1 1 4 4 GLY CA C 13 45.27 0.10 . 1 . . . . 4 . . . 5564 1 33 . 1 1 4 4 GLY H H 1 8.36 0.03 . 1 . . . . 4 . . . 5564 1 34 . 1 1 4 4 GLY HA2 H 1 3.93 0.03 . 2 . . . . 4 . . . 5564 1 35 . 1 1 4 4 GLY HA3 H 1 4.00 0.03 . 2 . . . . 4 . . . 5564 1 36 . 1 1 4 4 GLY N N 15 110.25 0.02 . 1 . . . . 4 . . . 5564 1 37 . 1 1 5 5 SER C C 13 172.29 0.10 . 1 . . . . 5 . . . 5564 1 38 . 1 1 5 5 SER CA C 13 57.66 0.10 . 1 . . . . 5 . . . 5564 1 39 . 1 1 5 5 SER CB C 13 64.58 0.10 . 1 . . . . 5 . . . 5564 1 40 . 1 1 5 5 SER H H 1 8.13 0.03 . 1 . . . . 5 . . . 5564 1 41 . 1 1 5 5 SER HA H 1 4.12 0.03 . 1 . . . . 5 . . . 5564 1 42 . 1 1 5 5 SER HB2 H 1 3.71 0.03 . 2 . . . . 5 . . . 5564 1 43 . 1 1 5 5 SER HB3 H 1 3.57 0.03 . 2 . . . . 5 . . . 5564 1 44 . 1 1 5 5 SER N N 15 115.31 0.02 . 1 . . . . 5 . . . 5564 1 45 . 1 1 6 6 SER C C 13 173.21 0.10 . 1 . . . . 180 . . . 5564 1 46 . 1 1 6 6 SER CA C 13 56.58 0.10 . 1 . . . . 180 . . . 5564 1 47 . 1 1 6 6 SER CB C 13 65.48 0.10 . 1 . . . . 180 . . . 5564 1 48 . 1 1 6 6 SER H H 1 7.89 0.03 . 1 . . . . 180 . . . 5564 1 49 . 1 1 6 6 SER HA H 1 4.91 0.03 . 1 . . . . 180 . . . 5564 1 50 . 1 1 6 6 SER HB2 H 1 3.35 0.03 . 2 . . . . 180 . . . 5564 1 51 . 1 1 6 6 SER HB3 H 1 2.60 0.03 . 2 . . . . 180 . . . 5564 1 52 . 1 1 6 6 SER N N 15 115.02 0.02 . 1 . . . . 180 . . . 5564 1 53 . 1 1 7 7 TRP C C 13 172.94 0.10 . 1 . . . . 181 . . . 5564 1 54 . 1 1 7 7 TRP CA C 13 57.20 0.10 . 1 . . . . 181 . . . 5564 1 55 . 1 1 7 7 TRP CB C 13 32.03 0.10 . 1 . . . . 181 . . . 5564 1 56 . 1 1 7 7 TRP CD1 C 13 125.66 0.10 . 1 . . . . 181 . . . 5564 1 57 . 1 1 7 7 TRP NE1 N 15 129.81 0.02 . 1 . . . . 181 . . . 5564 1 58 . 1 1 7 7 TRP CE3 C 13 119.70 0.10 . 4 . . . . 181 . . . 5564 1 59 . 1 1 7 7 TRP CZ2 C 13 113.85 0.10 . 1 . . . . 181 . . . 5564 1 60 . 1 1 7 7 TRP CH2 C 13 121.22 0.10 . 4 . . . . 181 . . . 5564 1 61 . 1 1 7 7 TRP CZ3 C 13 124.46 0.10 . 4 . . . . 181 . . . 5564 1 62 . 1 1 7 7 TRP H H 1 9.12 0.03 . 1 . . . . 181 . . . 5564 1 63 . 1 1 7 7 TRP HA H 1 4.72 0.03 . 1 . . . . 181 . . . 5564 1 64 . 1 1 7 7 TRP HB2 H 1 2.94 0.03 . 2 . . . . 181 . . . 5564 1 65 . 1 1 7 7 TRP HB3 H 1 2.46 0.03 . 2 . . . . 181 . . . 5564 1 66 . 1 1 7 7 TRP HD1 H 1 6.97 0.03 . 1 . . . . 181 . . . 5564 1 67 . 1 1 7 7 TRP HE1 H 1 10.21 0.03 . 1 . . . . 181 . . . 5564 1 68 . 1 1 7 7 TRP HE3 H 1 6.88 0.03 . 2 . . . . 181 . . . 5564 1 69 . 1 1 7 7 TRP HZ2 H 1 7.39 0.03 . 1 . . . . 181 . . . 5564 1 70 . 1 1 7 7 TRP HH2 H 1 6.64 0.03 . 4 . . . . 181 . . . 5564 1 71 . 1 1 7 7 TRP HZ3 H 1 7.06 0.03 . 4 . . . . 181 . . . 5564 1 72 . 1 1 7 7 TRP N N 15 128.14 0.02 . 1 . . . . 181 . . . 5564 1 73 . 1 1 8 8 LEU C C 13 173.83 0.10 . 1 . . . . 182 . . . 5564 1 74 . 1 1 8 8 LEU CA C 13 53.30 0.10 . 1 . . . . 182 . . . 5564 1 75 . 1 1 8 8 LEU CB C 13 42.26 0.10 . 1 . . . . 182 . . . 5564 1 76 . 1 1 8 8 LEU CD1 C 13 23.93 0.10 . 1 . . . . 182 . . . 5564 1 77 . 1 1 8 8 LEU CD2 C 13 26.64 0.10 . 1 . . . . 182 . . . 5564 1 78 . 1 1 8 8 LEU CG C 13 26.72 0.10 . 1 . . . . 182 . . . 5564 1 79 . 1 1 8 8 LEU H H 1 8.47 0.03 . 1 . . . . 182 . . . 5564 1 80 . 1 1 8 8 LEU HA H 1 4.28 0.03 . 1 . . . . 182 . . . 5564 1 81 . 1 1 8 8 LEU HB2 H 1 -1.03 0.03 . 2 . . . . 182 . . . 5564 1 82 . 1 1 8 8 LEU HB3 H 1 0.58 0.03 . 2 . . . . 182 . . . 5564 1 83 . 1 1 8 8 LEU HD11 H 1 0.13 0.03 . 1 . . . . 182 . . . 5564 1 84 . 1 1 8 8 LEU HD12 H 1 0.13 0.03 . 1 . . . . 182 . . . 5564 1 85 . 1 1 8 8 LEU HD13 H 1 0.13 0.03 . 1 . . . . 182 . . . 5564 1 86 . 1 1 8 8 LEU HD21 H 1 0.02 0.03 . 1 . . . . 182 . . . 5564 1 87 . 1 1 8 8 LEU HD22 H 1 0.02 0.03 . 1 . . . . 182 . . . 5564 1 88 . 1 1 8 8 LEU HD23 H 1 0.02 0.03 . 1 . . . . 182 . . . 5564 1 89 . 1 1 8 8 LEU HG H 1 0.69 0.03 . 1 . . . . 182 . . . 5564 1 90 . 1 1 8 8 LEU N N 15 124.07 0.02 . 1 . . . . 182 . . . 5564 1 91 . 1 1 9 9 PHE C C 13 174.90 0.10 . 1 . . . . 183 . . . 5564 1 92 . 1 1 9 9 PHE CA C 13 56.16 0.10 . 1 . . . . 183 . . . 5564 1 93 . 1 1 9 9 PHE CB C 13 40.78 0.10 . 1 . . . . 183 . . . 5564 1 94 . 1 1 9 9 PHE CD1 C 13 131.32 0.10 . 1 . . . . 183 . . . 5564 1 95 . 1 1 9 9 PHE CE1 C 13 130.77 0.10 . 1 . . . . 183 . . . 5564 1 96 . 1 1 9 9 PHE CZ C 13 128.44 0.10 . 1 . . . . 183 . . . 5564 1 97 . 1 1 9 9 PHE H H 1 9.18 0.03 . 1 . . . . 183 . . . 5564 1 98 . 1 1 9 9 PHE HA H 1 5.13 0.03 . 1 . . . . 183 . . . 5564 1 99 . 1 1 9 9 PHE HB2 H 1 2.87 0.03 . 2 . . . . 183 . . . 5564 1 100 . 1 1 9 9 PHE HB3 H 1 3.08 0.03 . 2 . . . . 183 . . . 5564 1 101 . 1 1 9 9 PHE HD1 H 1 7.04 0.03 . 1 . . . . 183 . . . 5564 1 102 . 1 1 9 9 PHE HD2 H 1 7.04 0.03 . 1 . . . . 183 . . . 5564 1 103 . 1 1 9 9 PHE HE1 H 1 6.97 0.03 . 1 . . . . 183 . . . 5564 1 104 . 1 1 9 9 PHE HE2 H 1 6.97 0.03 . 1 . . . . 183 . . . 5564 1 105 . 1 1 9 9 PHE HZ H 1 6.68 0.03 . 1 . . . . 183 . . . 5564 1 106 . 1 1 9 9 PHE N N 15 125.12 0.02 . 1 . . . . 183 . . . 5564 1 107 . 1 1 10 10 LEU C C 13 176.33 0.10 . 1 . . . . 184 . . . 5564 1 108 . 1 1 10 10 LEU CA C 13 52.54 0.10 . 1 . . . . 184 . . . 5564 1 109 . 1 1 10 10 LEU CB C 13 45.46 0.10 . 1 . . . . 184 . . . 5564 1 110 . 1 1 10 10 LEU CD1 C 13 26.80 0.10 . 1 . . . . 184 . . . 5564 1 111 . 1 1 10 10 LEU CD2 C 13 23.83 0.10 . 1 . . . . 184 . . . 5564 1 112 . 1 1 10 10 LEU CG C 13 26.71 0.10 . 1 . . . . 184 . . . 5564 1 113 . 1 1 10 10 LEU H H 1 8.94 0.03 . 1 . . . . 184 . . . 5564 1 114 . 1 1 10 10 LEU HA H 1 5.31 0.03 . 1 . . . . 184 . . . 5564 1 115 . 1 1 10 10 LEU HB2 H 1 1.66 0.03 . 2 . . . . 184 . . . 5564 1 116 . 1 1 10 10 LEU HB3 H 1 1.23 0.03 . 5 . . . . 184 . . . 5564 1 117 . 1 1 10 10 LEU HD11 H 1 0.63 0.03 . 1 . . . . 184 . . . 5564 1 118 . 1 1 10 10 LEU HD12 H 1 0.63 0.03 . 1 . . . . 184 . . . 5564 1 119 . 1 1 10 10 LEU HD13 H 1 0.63 0.03 . 1 . . . . 184 . . . 5564 1 120 . 1 1 10 10 LEU HD21 H 1 0.62 0.03 . 1 . . . . 184 . . . 5564 1 121 . 1 1 10 10 LEU HD22 H 1 0.62 0.03 . 1 . . . . 184 . . . 5564 1 122 . 1 1 10 10 LEU HD23 H 1 0.62 0.03 . 1 . . . . 184 . . . 5564 1 123 . 1 1 10 10 LEU HG H 1 1.42 0.03 . 1 . . . . 184 . . . 5564 1 124 . 1 1 10 10 LEU N N 15 122.65 0.02 . 1 . . . . 184 . . . 5564 1 125 . 1 1 11 11 GLU C C 13 175.43 0.10 . 1 . . . . 185 . . . 5564 1 126 . 1 1 11 11 GLU CA C 13 54.47 0.10 . 1 . . . . 185 . . . 5564 1 127 . 1 1 11 11 GLU CB C 13 33.70 0.10 . 1 . . . . 185 . . . 5564 1 128 . 1 1 11 11 GLU CG C 13 35.92 0.10 . 1 . . . . 185 . . . 5564 1 129 . 1 1 11 11 GLU H H 1 8.39 0.03 . 1 . . . . 185 . . . 5564 1 130 . 1 1 11 11 GLU HA H 1 5.20 0.03 . 1 . . . . 185 . . . 5564 1 131 . 1 1 11 11 GLU HB2 H 1 1.97 0.03 . 2 . . . . 185 . . . 5564 1 132 . 1 1 11 11 GLU HB3 H 1 2.14 0.03 . 2 . . . . 185 . . . 5564 1 133 . 1 1 11 11 GLU HG2 H 1 2.24 0.03 . 2 . . . . 185 . . . 5564 1 134 . 1 1 11 11 GLU HG3 H 1 1.66 0.03 . 2 . . . . 185 . . . 5564 1 135 . 1 1 11 11 GLU N N 15 121.79 0.02 . 1 . . . . 185 . . . 5564 1 136 . 1 1 12 12 VAL C C 13 177.39 0.10 . 1 . . . . 186 . . . 5564 1 137 . 1 1 12 12 VAL CA C 13 63.61 0.10 . 1 . . . . 186 . . . 5564 1 138 . 1 1 12 12 VAL CB C 13 30.46 0.10 . 1 . . . . 186 . . . 5564 1 139 . 1 1 12 12 VAL CG1 C 13 22.23 0.10 . 1 . . . . 186 . . . 5564 1 140 . 1 1 12 12 VAL CG2 C 13 22.88 0.10 . 1 . . . . 186 . . . 5564 1 141 . 1 1 12 12 VAL H H 1 9.26 0.03 . 1 . . . . 186 . . . 5564 1 142 . 1 1 12 12 VAL HA H 1 4.39 0.03 . 1 . . . . 186 . . . 5564 1 143 . 1 1 12 12 VAL HB H 1 2.23 0.03 . 1 . . . . 186 . . . 5564 1 144 . 1 1 12 12 VAL HG11 H 1 0.86 0.03 . 1 . . . . 186 . . . 5564 1 145 . 1 1 12 12 VAL HG12 H 1 0.86 0.03 . 1 . . . . 186 . . . 5564 1 146 . 1 1 12 12 VAL HG13 H 1 0.86 0.03 . 1 . . . . 186 . . . 5564 1 147 . 1 1 12 12 VAL HG21 H 1 0.78 0.03 . 1 . . . . 186 . . . 5564 1 148 . 1 1 12 12 VAL HG22 H 1 0.78 0.03 . 1 . . . . 186 . . . 5564 1 149 . 1 1 12 12 VAL HG23 H 1 0.78 0.03 . 1 . . . . 186 . . . 5564 1 150 . 1 1 12 12 VAL N N 15 128.76 0.02 . 1 . . . . 186 . . . 5564 1 151 . 1 1 13 13 ILE C C 13 174.69 0.10 . 1 . . . . 187 . . . 5564 1 152 . 1 1 13 13 ILE CA C 13 61.88 0.10 . 1 . . . . 187 . . . 5564 1 153 . 1 1 13 13 ILE CB C 13 39.67 0.10 . 1 . . . . 187 . . . 5564 1 154 . 1 1 13 13 ILE CD1 C 13 14.52 0.10 . 1 . . . . 187 . . . 5564 1 155 . 1 1 13 13 ILE CG1 C 13 26.47 0.10 . 1 . . . . 187 . . . 5564 1 156 . 1 1 13 13 ILE CG2 C 13 18.30 0.10 . 1 . . . . 187 . . . 5564 1 157 . 1 1 13 13 ILE H H 1 8.80 0.03 . 1 . . . . 187 . . . 5564 1 158 . 1 1 13 13 ILE HA H 1 4.61 0.03 . 1 . . . . 187 . . . 5564 1 159 . 1 1 13 13 ILE HB H 1 2.16 0.03 . 1 . . . . 187 . . . 5564 1 160 . 1 1 13 13 ILE HD11 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 161 . 1 1 13 13 ILE HD12 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 162 . 1 1 13 13 ILE HD13 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 163 . 1 1 13 13 ILE HG12 H 1 1.20 0.03 . 2 . . . . 187 . . . 5564 1 164 . 1 1 13 13 ILE HG13 H 1 0.86 0.03 . 2 . . . . 187 . . . 5564 1 165 . 1 1 13 13 ILE HG21 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 166 . 1 1 13 13 ILE HG22 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 167 . 1 1 13 13 ILE HG23 H 1 0.89 0.03 . 1 . . . . 187 . . . 5564 1 168 . 1 1 13 13 ILE N N 15 124.00 0.02 . 1 . . . . 187 . . . 5564 1 169 . 1 1 14 14 ALA C C 13 175.21 0.10 . 1 . . . . 188 . . . 5564 1 170 . 1 1 14 14 ALA CA C 13 52.86 0.10 . 1 . . . . 188 . . . 5564 1 171 . 1 1 14 14 ALA CB C 13 22.42 0.10 . 1 . . . . 188 . . . 5564 1 172 . 1 1 14 14 ALA H H 1 7.88 0.03 . 1 . . . . 188 . . . 5564 1 173 . 1 1 14 14 ALA HA H 1 4.53 0.03 . 1 . . . . 188 . . . 5564 1 174 . 1 1 14 14 ALA HB1 H 1 1.43 0.03 . 1 . . . . 188 . . . 5564 1 175 . 1 1 14 14 ALA HB2 H 1 1.43 0.03 . 1 . . . . 188 . . . 5564 1 176 . 1 1 14 14 ALA HB3 H 1 1.43 0.03 . 1 . . . . 188 . . . 5564 1 177 . 1 1 14 14 ALA N N 15 123.83 0.02 . 1 . . . . 188 . . . 5564 1 178 . 1 1 15 15 GLY CA C 13 43.78 0.10 . 1 . . . . 189 . . . 5564 1 179 . 1 1 15 15 GLY H H 1 8.51 0.03 . 1 . . . . 189 . . . 5564 1 180 . 1 1 15 15 GLY HA2 H 1 3.62 0.03 . 1 . . . . 189 . . . 5564 1 181 . 1 1 15 15 GLY HA3 H 1 3.62 0.03 . 1 . . . . 189 . . . 5564 1 182 . 1 1 15 15 GLY N N 15 107.93 0.02 . 1 . . . . 189 . . . 5564 1 183 . 1 1 16 16 PRO C C 13 177.64 0.10 . 1 . . . . 190 . . . 5564 1 184 . 1 1 16 16 PRO CA C 13 64.77 0.10 . 1 . . . . 190 . . . 5564 1 185 . 1 1 16 16 PRO CB C 13 32.05 0.10 . 1 . . . . 190 . . . 5564 1 186 . 1 1 16 16 PRO CD C 13 49.24 0.10 . 1 . . . . 190 . . . 5564 1 187 . 1 1 16 16 PRO CG C 13 27.47 0.10 . 1 . . . . 190 . . . 5564 1 188 . 1 1 16 16 PRO HA H 1 4.33 0.03 . 1 . . . . 190 . . . 5564 1 189 . 1 1 16 16 PRO HB2 H 1 2.40 0.03 . 1 . . . . 190 . . . 5564 1 190 . 1 1 16 16 PRO HB3 H 1 2.40 0.03 . 1 . . . . 190 . . . 5564 1 191 . 1 1 16 16 PRO HD2 H 1 3.61 0.03 . 1 . . . . 190 . . . 5564 1 192 . 1 1 16 16 PRO HD3 H 1 3.50 0.03 . 1 . . . . 190 . . . 5564 1 193 . 1 1 16 16 PRO HG2 H 1 2.03 0.03 . 1 . . . . 190 . . . 5564 1 194 . 1 1 16 16 PRO HG3 H 1 2.03 0.03 . 1 . . . . 190 . . . 5564 1 195 . 1 1 17 17 ALA C C 13 174.83 0.10 . 1 . . . . 191 . . . 5564 1 196 . 1 1 17 17 ALA CA C 13 50.71 0.10 . 1 . . . . 191 . . . 5564 1 197 . 1 1 17 17 ALA CB C 13 17.96 0.10 . 1 . . . . 191 . . . 5564 1 198 . 1 1 17 17 ALA H H 1 8.90 0.03 . 1 . . . . 191 . . . 5564 1 199 . 1 1 17 17 ALA HA H 1 4.62 0.03 . 1 . . . . 191 . . . 5564 1 200 . 1 1 17 17 ALA HB1 H 1 1.38 0.03 . 1 . . . . 191 . . . 5564 1 201 . 1 1 17 17 ALA HB2 H 1 1.38 0.03 . 1 . . . . 191 . . . 5564 1 202 . 1 1 17 17 ALA HB3 H 1 1.38 0.03 . 1 . . . . 191 . . . 5564 1 203 . 1 1 17 17 ALA N N 15 121.35 0.02 . 1 . . . . 191 . . . 5564 1 204 . 1 1 18 18 ILE C C 13 174.82 0.10 . 1 . . . . 192 . . . 5564 1 205 . 1 1 18 18 ILE CA C 13 63.50 0.10 . 1 . . . . 192 . . . 5564 1 206 . 1 1 18 18 ILE CB C 13 38.44 0.10 . 1 . . . . 192 . . . 5564 1 207 . 1 1 18 18 ILE CD1 C 13 14.62 0.10 . 1 . . . . 192 . . . 5564 1 208 . 1 1 18 18 ILE CG1 C 13 28.64 0.10 . 1 . . . . 192 . . . 5564 1 209 . 1 1 18 18 ILE CG2 C 13 15.36 0.10 . 1 . . . . 192 . . . 5564 1 210 . 1 1 18 18 ILE H H 1 7.20 0.03 . 1 . . . . 192 . . . 5564 1 211 . 1 1 18 18 ILE HA H 1 3.32 0.03 . 1 . . . . 192 . . . 5564 1 212 . 1 1 18 18 ILE HB H 1 1.92 0.03 . 1 . . . . 192 . . . 5564 1 213 . 1 1 18 18 ILE HD11 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 214 . 1 1 18 18 ILE HD12 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 215 . 1 1 18 18 ILE HD13 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 216 . 1 1 18 18 ILE HG12 H 1 1.25 0.03 . 2 . . . . 192 . . . 5564 1 217 . 1 1 18 18 ILE HG13 H 1 0.99 0.03 . 2 . . . . 192 . . . 5564 1 218 . 1 1 18 18 ILE HG21 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 219 . 1 1 18 18 ILE HG22 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 220 . 1 1 18 18 ILE HG23 H 1 0.85 0.03 . 1 . . . . 192 . . . 5564 1 221 . 1 1 18 18 ILE N N 15 119.08 0.02 . 1 . . . . 192 . . . 5564 1 222 . 1 1 19 19 GLY C C 13 174.70 0.10 . 1 . . . . 193 . . . 5564 1 223 . 1 1 19 19 GLY CA C 13 44.23 0.10 . 1 . . . . 193 . . . 5564 1 224 . 1 1 19 19 GLY H H 1 8.38 0.03 . 1 . . . . 193 . . . 5564 1 225 . 1 1 19 19 GLY HA2 H 1 4.43 0.03 . 2 . . . . 193 . . . 5564 1 226 . 1 1 19 19 GLY HA3 H 1 3.63 0.03 . 2 . . . . 193 . . . 5564 1 227 . 1 1 19 19 GLY N N 15 115.83 0.02 . 1 . . . . 193 . . . 5564 1 228 . 1 1 20 20 LEU C C 13 175.63 0.10 . 1 . . . . 194 . . . 5564 1 229 . 1 1 20 20 LEU CA C 13 56.53 0.10 . 1 . . . . 194 . . . 5564 1 230 . 1 1 20 20 LEU CB C 13 42.61 0.10 . 1 . . . . 194 . . . 5564 1 231 . 1 1 20 20 LEU CD1 C 13 24.10 0.10 . 1 . . . . 194 . . . 5564 1 232 . 1 1 20 20 LEU CD2 C 13 25.32 0.10 . 1 . . . . 194 . . . 5564 1 233 . 1 1 20 20 LEU CG C 13 26.86 0.10 . 1 . . . . 194 . . . 5564 1 234 . 1 1 20 20 LEU H H 1 7.96 0.03 . 1 . . . . 194 . . . 5564 1 235 . 1 1 20 20 LEU HA H 1 4.26 0.03 . 1 . . . . 194 . . . 5564 1 236 . 1 1 20 20 LEU HB2 H 1 1.72 0.03 . 2 . . . . 194 . . . 5564 1 237 . 1 1 20 20 LEU HB3 H 1 1.62 0.03 . 2 . . . . 194 . . . 5564 1 238 . 1 1 20 20 LEU HD11 H 1 1.00 0.03 . 1 . . . . 194 . . . 5564 1 239 . 1 1 20 20 LEU HD12 H 1 1.00 0.03 . 1 . . . . 194 . . . 5564 1 240 . 1 1 20 20 LEU HD13 H 1 1.00 0.03 . 1 . . . . 194 . . . 5564 1 241 . 1 1 20 20 LEU HD21 H 1 0.83 0.03 . 1 . . . . 194 . . . 5564 1 242 . 1 1 20 20 LEU HD22 H 1 0.83 0.03 . 1 . . . . 194 . . . 5564 1 243 . 1 1 20 20 LEU HD23 H 1 0.83 0.03 . 1 . . . . 194 . . . 5564 1 244 . 1 1 20 20 LEU HG H 1 1.62 0.03 . 1 . . . . 194 . . . 5564 1 245 . 1 1 20 20 LEU N N 15 123.75 0.02 . 1 . . . . 194 . . . 5564 1 246 . 1 1 21 21 GLN C C 13 175.26 0.10 . 1 . . . . 195 . . . 5564 1 247 . 1 1 21 21 GLN CA C 13 54.11 0.10 . 1 . . . . 195 . . . 5564 1 248 . 1 1 21 21 GLN CB C 13 33.57 0.10 . 1 . . . . 195 . . . 5564 1 249 . 1 1 21 21 GLN CG C 13 33.90 0.10 . 1 . . . . 195 . . . 5564 1 250 . 1 1 21 21 GLN H H 1 8.34 0.03 . 1 . . . . 195 . . . 5564 1 251 . 1 1 21 21 GLN HA H 1 5.43 0.03 . 1 . . . . 195 . . . 5564 1 252 . 1 1 21 21 GLN HB2 H 1 2.11 0.03 . 2 . . . . 195 . . . 5564 1 253 . 1 1 21 21 GLN HB3 H 1 1.92 0.03 . 2 . . . . 195 . . . 5564 1 254 . 1 1 21 21 GLN HG2 H 1 2.48 0.03 . 2 . . . . 195 . . . 5564 1 255 . 1 1 21 21 GLN HG3 H 1 2.19 0.03 . 2 . . . . 195 . . . 5564 1 256 . 1 1 21 21 GLN N N 15 122.34 0.02 . 1 . . . . 195 . . . 5564 1 257 . 1 1 22 22 HIS C C 13 172.06 0.10 . 1 . . . . 196 . . . 5564 1 258 . 1 1 22 22 HIS CA C 13 56.46 0.10 . 1 . . . . 196 . . . 5564 1 259 . 1 1 22 22 HIS CB C 13 36.65 0.10 . 1 . . . . 196 . . . 5564 1 260 . 1 1 22 22 HIS CD2 C 13 115.60 0.10 . 1 . . . . 196 . . . 5564 1 261 . 1 1 22 22 HIS H H 1 8.79 0.03 . 1 . . . . 196 . . . 5564 1 262 . 1 1 22 22 HIS HA H 1 4.82 0.03 . 1 . . . . 196 . . . 5564 1 263 . 1 1 22 22 HIS HB2 H 1 2.82 0.03 . 2 . . . . 196 . . . 5564 1 264 . 1 1 22 22 HIS HB3 H 1 2.49 0.03 . 2 . . . . 196 . . . 5564 1 265 . 1 1 22 22 HIS HD2 H 1 6.22 0.03 . 1 . . . . 196 . . . 5564 1 266 . 1 1 22 22 HIS N N 15 120.77 0.02 . 1 . . . . 196 . . . 5564 1 267 . 1 1 23 23 ALA C C 13 175.93 0.10 . 1 . . . . 197 . . . 5564 1 268 . 1 1 23 23 ALA CA C 13 50.70 0.10 . 1 . . . . 197 . . . 5564 1 269 . 1 1 23 23 ALA CB C 13 23.01 0.10 . 1 . . . . 197 . . . 5564 1 270 . 1 1 23 23 ALA H H 1 7.48 0.03 . 1 . . . . 197 . . . 5564 1 271 . 1 1 23 23 ALA HA H 1 5.49 0.03 . 1 . . . . 197 . . . 5564 1 272 . 1 1 23 23 ALA HB1 H 1 1.25 0.03 . 1 . . . . 197 . . . 5564 1 273 . 1 1 23 23 ALA HB2 H 1 1.25 0.03 . 1 . . . . 197 . . . 5564 1 274 . 1 1 23 23 ALA HB3 H 1 1.25 0.03 . 1 . . . . 197 . . . 5564 1 275 . 1 1 23 23 ALA N N 15 129.42 0.02 . 1 . . . . 197 . . . 5564 1 276 . 1 1 24 24 VAL C C 13 170.30 0.10 . 1 . . . . 198 . . . 5564 1 277 . 1 1 24 24 VAL CA C 13 60.57 0.10 . 1 . . . . 198 . . . 5564 1 278 . 1 1 24 24 VAL CB C 13 35.61 0.10 . 1 . . . . 198 . . . 5564 1 279 . 1 1 24 24 VAL CG1 C 13 20.33 0.10 . 1 . . . . 198 . . . 5564 1 280 . 1 1 24 24 VAL CG2 C 13 21.58 0.10 . 1 . . . . 198 . . . 5564 1 281 . 1 1 24 24 VAL H H 1 8.74 0.03 . 1 . . . . 198 . . . 5564 1 282 . 1 1 24 24 VAL HA H 1 4.29 0.03 . 1 . . . . 198 . . . 5564 1 283 . 1 1 24 24 VAL HB H 1 1.78 0.03 . 1 . . . . 198 . . . 5564 1 284 . 1 1 24 24 VAL HG11 H 1 0.63 0.03 . 1 . . . . 198 . . . 5564 1 285 . 1 1 24 24 VAL HG12 H 1 0.63 0.03 . 1 . . . . 198 . . . 5564 1 286 . 1 1 24 24 VAL HG13 H 1 0.63 0.03 . 1 . . . . 198 . . . 5564 1 287 . 1 1 24 24 VAL HG21 H 1 0.86 0.03 . 1 . . . . 198 . . . 5564 1 288 . 1 1 24 24 VAL HG22 H 1 0.86 0.03 . 1 . . . . 198 . . . 5564 1 289 . 1 1 24 24 VAL HG23 H 1 0.86 0.03 . 1 . . . . 198 . . . 5564 1 290 . 1 1 24 24 VAL N N 15 119.15 0.02 . 1 . . . . 198 . . . 5564 1 291 . 1 1 25 25 ASN C C 13 175.89 0.10 . 1 . . . . 199 . . . 5564 1 292 . 1 1 25 25 ASN CA C 13 51.50 0.10 . 1 . . . . 199 . . . 5564 1 293 . 1 1 25 25 ASN CB C 13 41.52 0.10 . 1 . . . . 199 . . . 5564 1 294 . 1 1 25 25 ASN H H 1 7.66 0.03 . 1 . . . . 199 . . . 5564 1 295 . 1 1 25 25 ASN HA H 1 4.75 0.03 . 1 . . . . 199 . . . 5564 1 296 . 1 1 25 25 ASN HB2 H 1 1.46 0.03 . 2 . . . . 199 . . . 5564 1 297 . 1 1 25 25 ASN HB3 H 1 0.47 0.03 . 2 . . . . 199 . . . 5564 1 298 . 1 1 25 25 ASN N N 15 124.39 0.02 . 1 . . . . 199 . . . 5564 1 299 . 1 1 26 26 SER C C 13 174.13 0.10 . 1 . . . . 200 . . . 5564 1 300 . 1 1 26 26 SER CA C 13 61.32 0.10 . 1 . . . . 200 . . . 5564 1 301 . 1 1 26 26 SER CB C 13 60.04 0.10 . 1 . . . . 200 . . . 5564 1 302 . 1 1 26 26 SER H H 1 8.70 0.03 . 1 . . . . 200 . . . 5564 1 303 . 1 1 26 26 SER HA H 1 3.06 0.03 . 1 . . . . 200 . . . 5564 1 304 . 1 1 26 26 SER HB2 H 1 1.61 0.03 . 2 . . . . 200 . . . 5564 1 305 . 1 1 26 26 SER HB3 H 1 1.08 0.03 . 2 . . . . 200 . . . 5564 1 306 . 1 1 26 26 SER N N 15 119.20 0.02 . 1 . . . . 200 . . . 5564 1 307 . 1 1 27 27 THR C C 13 176.71 0.10 . 1 . . . . 201 . . . 5564 1 308 . 1 1 27 27 THR CA C 13 62.30 0.10 . 1 . . . . 201 . . . 5564 1 309 . 1 1 27 27 THR CB C 13 69.25 0.10 . 1 . . . . 201 . . . 5564 1 310 . 1 1 27 27 THR CG2 C 13 21.63 0.10 . 1 . . . . 201 . . . 5564 1 311 . 1 1 27 27 THR H H 1 7.77 0.03 . 1 . . . . 201 . . . 5564 1 312 . 1 1 27 27 THR HA H 1 4.13 0.03 . 1 . . . . 201 . . . 5564 1 313 . 1 1 27 27 THR HB H 1 4.26 0.03 . 1 . . . . 201 . . . 5564 1 314 . 1 1 27 27 THR HG21 H 1 1.02 0.03 . 1 . . . . 201 . . . 5564 1 315 . 1 1 27 27 THR HG22 H 1 1.02 0.03 . 1 . . . . 201 . . . 5564 1 316 . 1 1 27 27 THR HG23 H 1 1.02 0.03 . 1 . . . . 201 . . . 5564 1 317 . 1 1 27 27 THR N N 15 110.74 0.02 . 1 . . . . 201 . . . 5564 1 318 . 1 1 28 28 SER C C 13 175.61 0.10 . 1 . . . . 202 . . . 5564 1 319 . 1 1 28 28 SER CA C 13 56.40 0.10 . 1 . . . . 202 . . . 5564 1 320 . 1 1 28 28 SER CB C 13 61.53 0.10 . 1 . . . . 202 . . . 5564 1 321 . 1 1 28 28 SER H H 1 7.94 0.03 . 1 . . . . 202 . . . 5564 1 322 . 1 1 28 28 SER HA H 1 4.61 0.03 . 1 . . . . 202 . . . 5564 1 323 . 1 1 28 28 SER HB2 H 1 3.99 0.03 . 2 . . . . 202 . . . 5564 1 324 . 1 1 28 28 SER HB3 H 1 3.81 0.03 . 2 . . . . 202 . . . 5564 1 325 . 1 1 28 28 SER N N 15 121.72 0.02 . 1 . . . . 202 . . . 5564 1 326 . 1 1 29 29 SER CA C 13 61.53 0.10 . 1 . . . . 203 . . . 5564 1 327 . 1 1 29 29 SER CB C 13 63.05 0.10 . 1 . . . . 203 . . . 5564 1 328 . 1 1 29 29 SER H H 1 8.00 0.03 . 1 . . . . 203 . . . 5564 1 329 . 1 1 29 29 SER HA H 1 4.01 0.03 . 1 . . . . 203 . . . 5564 1 330 . 1 1 29 29 SER HB2 H 1 3.94 0.03 . 2 . . . . 203 . . . 5564 1 331 . 1 1 29 29 SER HB3 H 1 3.88 0.03 . 2 . . . . 203 . . . 5564 1 332 . 1 1 29 29 SER N N 15 119.33 0.02 . 1 . . . . 203 . . . 5564 1 333 . 1 1 30 30 SER C C 13 175.05 0.10 . 1 . . . . 204 . . . 5564 1 334 . 1 1 30 30 SER CA C 13 60.14 0.10 . 1 . . . . 204 . . . 5564 1 335 . 1 1 30 30 SER CB C 13 63.03 0.10 . 1 . . . . 204 . . . 5564 1 336 . 1 1 30 30 SER HA H 1 4.46 0.03 . 1 . . . . 204 . . . 5564 1 337 . 1 1 30 30 SER HB2 H 1 4.03 0.03 . 2 . . . . 204 . . . 5564 1 338 . 1 1 30 30 SER HB3 H 1 3.90 0.03 . 2 . . . . 204 . . . 5564 1 339 . 1 1 31 31 LYS C C 13 173.58 0.10 . 1 . . . . 205 . . . 5564 1 340 . 1 1 31 31 LYS CA C 13 55.02 0.10 . 1 . . . . 205 . . . 5564 1 341 . 1 1 31 31 LYS CB C 13 32.50 0.10 . 1 . . . . 205 . . . 5564 1 342 . 1 1 31 31 LYS CD C 13 28.76 0.10 . 1 . . . . 205 . . . 5564 1 343 . 1 1 31 31 LYS CE C 13 42.39 0.10 . 1 . . . . 205 . . . 5564 1 344 . 1 1 31 31 LYS CG C 13 24.95 0.10 . 1 . . . . 205 . . . 5564 1 345 . 1 1 31 31 LYS H H 1 7.84 0.03 . 1 . . . . 205 . . . 5564 1 346 . 1 1 31 31 LYS HA H 1 4.54 0.03 . 1 . . . . 205 . . . 5564 1 347 . 1 1 31 31 LYS HB2 H 1 2.25 0.03 . 2 . . . . 205 . . . 5564 1 348 . 1 1 31 31 LYS HD2 H 1 1.74 0.03 . 2 . . . . 205 . . . 5564 1 349 . 1 1 31 31 LYS HD3 H 1 1.68 0.03 . 2 . . . . 205 . . . 5564 1 350 . 1 1 31 31 LYS HE2 H 1 3.04 0.03 . 2 . . . . 205 . . . 5564 1 351 . 1 1 31 31 LYS HE3 H 1 2.98 0.03 . 2 . . . . 205 . . . 5564 1 352 . 1 1 31 31 LYS HG2 H 1 1.45 0.03 . 2 . . . . 205 . . . 5564 1 353 . 1 1 31 31 LYS HG3 H 1 1.33 0.03 . 2 . . . . 205 . . . 5564 1 354 . 1 1 31 31 LYS N N 15 121.76 0.02 . 1 . . . . 205 . . . 5564 1 355 . 1 1 32 32 LEU CA C 13 51.75 0.10 . 1 . . . . 206 . . . 5564 1 356 . 1 1 32 32 LEU CB C 13 43.80 0.10 . 1 . . . . 206 . . . 5564 1 357 . 1 1 32 32 LEU CD1 C 13 25.94 0.10 . 1 . . . . 206 . . . 5564 1 358 . 1 1 32 32 LEU CD2 C 13 25.09 0.10 . 1 . . . . 206 . . . 5564 1 359 . 1 1 32 32 LEU CG C 13 25.01 0.10 . 1 . . . . 206 . . . 5564 1 360 . 1 1 32 32 LEU H H 1 7.11 0.03 . 1 . . . . 206 . . . 5564 1 361 . 1 1 32 32 LEU HA H 1 4.62 0.03 . 1 . . . . 206 . . . 5564 1 362 . 1 1 32 32 LEU HB2 H 1 1.66 0.03 . 2 . . . . 206 . . . 5564 1 363 . 1 1 32 32 LEU HB3 H 1 1.51 0.03 . 2 . . . . 206 . . . 5564 1 364 . 1 1 32 32 LEU HD11 H 1 0.86 0.03 . 1 . . . . 206 . . . 5564 1 365 . 1 1 32 32 LEU HD12 H 1 0.86 0.03 . 1 . . . . 206 . . . 5564 1 366 . 1 1 32 32 LEU HD13 H 1 0.86 0.03 . 1 . . . . 206 . . . 5564 1 367 . 1 1 32 32 LEU HD21 H 1 1.12 0.03 . 1 . . . . 206 . . . 5564 1 368 . 1 1 32 32 LEU HD22 H 1 1.12 0.03 . 1 . . . . 206 . . . 5564 1 369 . 1 1 32 32 LEU HD23 H 1 1.12 0.03 . 1 . . . . 206 . . . 5564 1 370 . 1 1 32 32 LEU HG H 1 1.04 0.03 . 1 . . . . 206 . . . 5564 1 371 . 1 1 32 32 LEU N N 15 118.99 0.02 . 1 . . . . 206 . . . 5564 1 372 . 1 1 33 33 PRO C C 13 175.82 0.10 . 1 . . . . 207 . . . 5564 1 373 . 1 1 33 33 PRO CA C 13 62.18 0.10 . 1 . . . . 207 . . . 5564 1 374 . 1 1 33 33 PRO CB C 13 35.89 0.10 . 1 . . . . 207 . . . 5564 1 375 . 1 1 33 33 PRO CD C 13 50.82 0.10 . 1 . . . . 207 . . . 5564 1 376 . 1 1 33 33 PRO CG C 13 25.03 0.10 . 1 . . . . 207 . . . 5564 1 377 . 1 1 33 33 PRO HA H 1 4.63 0.03 . 1 . . . . 207 . . . 5564 1 378 . 1 1 33 33 PRO HB2 H 1 2.24 0.03 . 2 . . . . 207 . . . 5564 1 379 . 1 1 33 33 PRO HB3 H 1 1.65 0.03 . 2 . . . . 207 . . . 5564 1 380 . 1 1 33 33 PRO HD2 H 1 3.58 0.03 . 1 . . . . 207 . . . 5564 1 381 . 1 1 33 33 PRO HD3 H 1 3.52 0.03 . 1 . . . . 207 . . . 5564 1 382 . 1 1 33 33 PRO HG2 H 1 1.80 0.03 . 2 . . . . 207 . . . 5564 1 383 . 1 1 33 33 PRO HG3 H 1 1.67 0.03 . 2 . . . . 207 . . . 5564 1 384 . 1 1 34 34 VAL C C 13 176.03 0.10 . 1 . . . . 208 . . . 5564 1 385 . 1 1 34 34 VAL CA C 13 62.73 0.10 . 1 . . . . 208 . . . 5564 1 386 . 1 1 34 34 VAL CB C 13 32.69 0.10 . 1 . . . . 208 . . . 5564 1 387 . 1 1 34 34 VAL CG1 C 13 21.55 0.10 . 1 . . . . 208 . . . 5564 1 388 . 1 1 34 34 VAL CG2 C 13 22.10 0.10 . 1 . . . . 208 . . . 5564 1 389 . 1 1 34 34 VAL H H 1 9.26 0.03 . 1 . . . . 208 . . . 5564 1 390 . 1 1 34 34 VAL HA H 1 4.04 0.03 . 1 . . . . 208 . . . 5564 1 391 . 1 1 34 34 VAL HB H 1 1.95 0.03 . 1 . . . . 208 . . . 5564 1 392 . 1 1 34 34 VAL HG11 H 1 0.56 0.03 . 1 . . . . 208 . . . 5564 1 393 . 1 1 34 34 VAL HG12 H 1 0.56 0.03 . 1 . . . . 208 . . . 5564 1 394 . 1 1 34 34 VAL HG13 H 1 0.56 0.03 . 1 . . . . 208 . . . 5564 1 395 . 1 1 34 34 VAL HG21 H 1 0.98 0.03 . 1 . . . . 208 . . . 5564 1 396 . 1 1 34 34 VAL HG22 H 1 0.98 0.03 . 1 . . . . 208 . . . 5564 1 397 . 1 1 34 34 VAL HG23 H 1 0.98 0.03 . 1 . . . . 208 . . . 5564 1 398 . 1 1 34 34 VAL N N 15 121.72 0.02 . 1 . . . . 208 . . . 5564 1 399 . 1 1 35 35 LYS C C 13 175.67 0.10 . 1 . . . . 209 . . . 5564 1 400 . 1 1 35 35 LYS CA C 13 56.83 0.10 . 1 . . . . 209 . . . 5564 1 401 . 1 1 35 35 LYS CB C 13 31.95 0.10 . 1 . . . . 209 . . . 5564 1 402 . 1 1 35 35 LYS CD C 13 28.40 0.10 . 1 . . . . 209 . . . 5564 1 403 . 1 1 35 35 LYS CE C 13 40.63 0.10 . 1 . . . . 209 . . . 5564 1 404 . 1 1 35 35 LYS CG C 13 23.34 0.10 . 1 . . . . 209 . . . 5564 1 405 . 1 1 35 35 LYS H H 1 9.76 0.03 . 1 . . . . 209 . . . 5564 1 406 . 1 1 35 35 LYS HA H 1 4.52 0.03 . 1 . . . . 209 . . . 5564 1 407 . 1 1 35 35 LYS HB2 H 1 1.63 0.03 . 2 . . . . 209 . . . 5564 1 408 . 1 1 35 35 LYS HB3 H 1 1.76 0.03 . 2 . . . . 209 . . . 5564 1 409 . 1 1 35 35 LYS HD2 H 1 1.58 0.03 . 2 . . . . 209 . . . 5564 1 410 . 1 1 35 35 LYS HD3 H 1 1.74 0.03 . 2 . . . . 209 . . . 5564 1 411 . 1 1 35 35 LYS HE2 H 1 2.93 0.03 . 2 . . . . 209 . . . 5564 1 412 . 1 1 35 35 LYS HG2 H 1 1.51 0.03 . 2 . . . . 209 . . . 5564 1 413 . 1 1 35 35 LYS HG3 H 1 1.45 0.03 . 2 . . . . 209 . . . 5564 1 414 . 1 1 35 35 LYS N N 15 129.80 0.02 . 1 . . . . 209 . . . 5564 1 415 . 1 1 36 36 LEU C C 13 175.23 0.10 . 1 . . . . 210 . . . 5564 1 416 . 1 1 36 36 LEU CA C 13 54.31 0.10 . 1 . . . . 210 . . . 5564 1 417 . 1 1 36 36 LEU CB C 13 42.49 0.10 . 1 . . . . 210 . . . 5564 1 418 . 1 1 36 36 LEU CD1 C 13 25.07 0.10 . 1 . . . . 210 . . . 5564 1 419 . 1 1 36 36 LEU CD2 C 13 26.10 0.10 . 1 . . . . 210 . . . 5564 1 420 . 1 1 36 36 LEU CG C 13 28.41 0.10 . 1 . . . . 210 . . . 5564 1 421 . 1 1 36 36 LEU H H 1 8.79 0.03 . 1 . . . . 210 . . . 5564 1 422 . 1 1 36 36 LEU HA H 1 4.83 0.03 . 1 . . . . 210 . . . 5564 1 423 . 1 1 36 36 LEU HB2 H 1 1.64 0.03 . 2 . . . . 210 . . . 5564 1 424 . 1 1 36 36 LEU HB3 H 1 1.14 0.03 . 2 . . . . 210 . . . 5564 1 425 . 1 1 36 36 LEU HD11 H 1 0.60 0.03 . 1 . . . . 210 . . . 5564 1 426 . 1 1 36 36 LEU HD12 H 1 0.60 0.03 . 1 . . . . 210 . . . 5564 1 427 . 1 1 36 36 LEU HD13 H 1 0.60 0.03 . 1 . . . . 210 . . . 5564 1 428 . 1 1 36 36 LEU HD21 H 1 0.61 0.03 . 1 . . . . 210 . . . 5564 1 429 . 1 1 36 36 LEU HD22 H 1 0.61 0.03 . 1 . . . . 210 . . . 5564 1 430 . 1 1 36 36 LEU HD23 H 1 0.61 0.03 . 1 . . . . 210 . . . 5564 1 431 . 1 1 36 36 LEU HG H 1 1.49 0.03 . 1 . . . . 210 . . . 5564 1 432 . 1 1 36 36 LEU N N 15 124.02 0.02 . 1 . . . . 210 . . . 5564 1 433 . 1 1 37 37 GLY C C 13 172.41 0.10 . 1 . . . . 211 . . . 5564 1 434 . 1 1 37 37 GLY CA C 13 46.09 0.10 . 1 . . . . 211 . . . 5564 1 435 . 1 1 37 37 GLY H H 1 8.00 0.03 . 1 . . . . 211 . . . 5564 1 436 . 1 1 37 37 GLY HA2 H 1 4.39 0.03 . 2 . . . . 211 . . . 5564 1 437 . 1 1 37 37 GLY HA3 H 1 4.11 0.03 . 2 . . . . 211 . . . 5564 1 438 . 1 1 37 37 GLY N N 15 110.72 0.02 . 1 . . . . 211 . . . 5564 1 439 . 1 1 38 38 ARG C C 13 176.30 0.10 . 1 . . . . 212 . . . 5564 1 440 . 1 1 38 38 ARG CA C 13 60.88 0.10 . 1 . . . . 212 . . . 5564 1 441 . 1 1 38 38 ARG CB C 13 32.43 0.10 . 1 . . . . 212 . . . 5564 1 442 . 1 1 38 38 ARG CD C 13 43.35 0.10 . 1 . . . . 212 . . . 5564 1 443 . 1 1 38 38 ARG CG C 13 28.32 0.10 . 1 . . . . 212 . . . 5564 1 444 . 1 1 38 38 ARG H H 1 7.71 0.03 . 1 . . . . 212 . . . 5564 1 445 . 1 1 38 38 ARG HA H 1 3.62 0.03 . 1 . . . . 212 . . . 5564 1 446 . 1 1 38 38 ARG HB2 H 1 1.72 0.03 . 2 . . . . 212 . . . 5564 1 447 . 1 1 38 38 ARG HB3 H 1 1.50 0.03 . 2 . . . . 212 . . . 5564 1 448 . 1 1 38 38 ARG HD2 H 1 3.29 0.03 . 2 . . . . 212 . . . 5564 1 449 . 1 1 38 38 ARG HD3 H 1 3.01 0.03 . 2 . . . . 212 . . . 5564 1 450 . 1 1 38 38 ARG HG2 H 1 1.43 0.03 . 1 . . . . 212 . . . 5564 1 451 . 1 1 38 38 ARG HG3 H 1 1.43 0.03 . 1 . . . . 212 . . . 5564 1 452 . 1 1 38 38 ARG N N 15 122.09 0.02 . 1 . . . . 212 . . . 5564 1 453 . 1 1 39 39 VAL CA C 13 58.86 0.10 . 1 . . . . 213 . . . 5564 1 454 . 1 1 39 39 VAL CB C 13 36.79 0.10 . 1 . . . . 213 . . . 5564 1 455 . 1 1 39 39 VAL CG1 C 13 22.20 0.10 . 1 . . . . 213 . . . 5564 1 456 . 1 1 39 39 VAL CG2 C 13 18.22 0.10 . 1 . . . . 213 . . . 5564 1 457 . 1 1 39 39 VAL H H 1 7.86 0.03 . 1 . . . . 213 . . . 5564 1 458 . 1 1 39 39 VAL HA H 1 4.76 0.03 . 1 . . . . 213 . . . 5564 1 459 . 1 1 39 39 VAL HB H 1 2.27 0.03 . 1 . . . . 213 . . . 5564 1 460 . 1 1 39 39 VAL HG11 H 1 0.83 0.03 . 1 . . . . 213 . . . 5564 1 461 . 1 1 39 39 VAL HG12 H 1 0.83 0.03 . 1 . . . . 213 . . . 5564 1 462 . 1 1 39 39 VAL HG13 H 1 0.83 0.03 . 1 . . . . 213 . . . 5564 1 463 . 1 1 39 39 VAL HG21 H 1 0.77 0.03 . 1 . . . . 213 . . . 5564 1 464 . 1 1 39 39 VAL HG22 H 1 0.77 0.03 . 1 . . . . 213 . . . 5564 1 465 . 1 1 39 39 VAL HG23 H 1 0.77 0.03 . 1 . . . . 213 . . . 5564 1 466 . 1 1 39 39 VAL N N 15 106.48 0.02 . 1 . . . . 213 . . . 5564 1 467 . 1 1 41 41 PRO C C 13 175.91 0.10 . 1 . . . . 215 . . . 5564 1 468 . 1 1 41 41 PRO CA C 13 63.53 0.10 . 1 . . . . 215 . . . 5564 1 469 . 1 1 41 41 PRO CB C 13 32.59 0.10 . 1 . . . . 215 . . . 5564 1 470 . 1 1 41 41 PRO CD C 13 50.31 0.10 . 1 . . . . 215 . . . 5564 1 471 . 1 1 41 41 PRO CG C 13 24.59 0.10 . 1 . . . . 215 . . . 5564 1 472 . 1 1 41 41 PRO HA H 1 4.76 0.03 . 1 . . . . 215 . . . 5564 1 473 . 1 1 41 41 PRO HB2 H 1 2.35 0.03 . 2 . . . . 215 . . . 5564 1 474 . 1 1 41 41 PRO HB3 H 1 2.27 0.03 . 2 . . . . 215 . . . 5564 1 475 . 1 1 41 41 PRO HD2 H 1 3.47 0.03 . 1 . . . . 215 . . . 5564 1 476 . 1 1 41 41 PRO HD3 H 1 3.40 0.03 . 1 . . . . 215 . . . 5564 1 477 . 1 1 41 41 PRO HG2 H 1 1.90 0.03 . 2 . . . . 215 . . . 5564 1 478 . 1 1 41 41 PRO HG3 H 1 1.58 0.03 . 2 . . . . 215 . . . 5564 1 479 . 1 1 42 42 SER C C 13 172.89 0.10 . 1 . . . . 216 . . . 5564 1 480 . 1 1 42 42 SER CA C 13 61.90 0.10 . 1 . . . . 216 . . . 5564 1 481 . 1 1 42 42 SER CB C 13 63.94 0.10 . 1 . . . . 216 . . . 5564 1 482 . 1 1 42 42 SER H H 1 8.71 0.03 . 1 . . . . 216 . . . 5564 1 483 . 1 1 42 42 SER HA H 1 3.90 0.03 . 1 . . . . 216 . . . 5564 1 484 . 1 1 42 42 SER HB2 H 1 3.51 0.03 . 2 . . . . 216 . . . 5564 1 485 . 1 1 42 42 SER HB3 H 1 3.12 0.03 . 2 . . . . 216 . . . 5564 1 486 . 1 1 42 42 SER N N 15 121.50 0.02 . 1 . . . . 216 . . . 5564 1 487 . 1 1 43 43 ASP C C 13 175.72 0.10 . 1 . . . . 217 . . . 5564 1 488 . 1 1 43 43 ASP CA C 13 57.42 0.10 . 1 . . . . 217 . . . 5564 1 489 . 1 1 43 43 ASP CB C 13 42.10 0.10 . 1 . . . . 217 . . . 5564 1 490 . 1 1 43 43 ASP H H 1 8.32 0.03 . 1 . . . . 217 . . . 5564 1 491 . 1 1 43 43 ASP HA H 1 4.18 0.03 . 1 . . . . 217 . . . 5564 1 492 . 1 1 43 43 ASP HB2 H 1 1.91 0.03 . 2 . . . . 217 . . . 5564 1 493 . 1 1 43 43 ASP HB3 H 1 2.21 0.03 . 2 . . . . 217 . . . 5564 1 494 . 1 1 43 43 ASP N N 15 125.35 0.02 . 1 . . . . 217 . . . 5564 1 495 . 1 1 44 44 LEU C C 13 172.90 0.10 . 1 . . . . 218 . . . 5564 1 496 . 1 1 44 44 LEU CA C 13 54.71 0.10 . 1 . . . . 218 . . . 5564 1 497 . 1 1 44 44 LEU CB C 13 43.49 0.10 . 1 . . . . 218 . . . 5564 1 498 . 1 1 44 44 LEU CD1 C 13 25.03 0.10 . 1 . . . . 218 . . . 5564 1 499 . 1 1 44 44 LEU CD2 C 13 25.98 0.10 . 1 . . . . 218 . . . 5564 1 500 . 1 1 44 44 LEU CG C 13 27.77 0.10 . 1 . . . . 218 . . . 5564 1 501 . 1 1 44 44 LEU H H 1 6.99 0.03 . 1 . . . . 218 . . . 5564 1 502 . 1 1 44 44 LEU HA H 1 4.25 0.03 . 1 . . . . 218 . . . 5564 1 503 . 1 1 44 44 LEU HB2 H 1 1.20 0.03 . 2 . . . . 218 . . . 5564 1 504 . 1 1 44 44 LEU HB3 H 1 1.00 0.03 . 2 . . . . 218 . . . 5564 1 505 . 1 1 44 44 LEU HD11 H 1 0.41 0.03 . 1 . . . . 218 . . . 5564 1 506 . 1 1 44 44 LEU HD12 H 1 0.41 0.03 . 1 . . . . 218 . . . 5564 1 507 . 1 1 44 44 LEU HD13 H 1 0.41 0.03 . 1 . . . . 218 . . . 5564 1 508 . 1 1 44 44 LEU HD21 H 1 0.53 0.03 . 1 . . . . 218 . . . 5564 1 509 . 1 1 44 44 LEU HD22 H 1 0.53 0.03 . 1 . . . . 218 . . . 5564 1 510 . 1 1 44 44 LEU HD23 H 1 0.53 0.03 . 1 . . . . 218 . . . 5564 1 511 . 1 1 44 44 LEU HG H 1 1.15 0.03 . 1 . . . . 218 . . . 5564 1 512 . 1 1 44 44 LEU N N 15 115.78 0.02 . 1 . . . . 218 . . . 5564 1 513 . 1 1 45 45 ALA C C 13 176.66 0.10 . 1 . . . . 219 . . . 5564 1 514 . 1 1 45 45 ALA CA C 13 50.42 0.10 . 1 . . . . 219 . . . 5564 1 515 . 1 1 45 45 ALA CB C 13 16.81 0.10 . 1 . . . . 219 . . . 5564 1 516 . 1 1 45 45 ALA H H 1 8.06 0.03 . 1 . . . . 219 . . . 5564 1 517 . 1 1 45 45 ALA HA H 1 4.24 0.03 . 1 . . . . 219 . . . 5564 1 518 . 1 1 45 45 ALA HB1 H 1 1.05 0.03 . 1 . . . . 219 . . . 5564 1 519 . 1 1 45 45 ALA HB2 H 1 1.05 0.03 . 1 . . . . 219 . . . 5564 1 520 . 1 1 45 45 ALA HB3 H 1 1.05 0.03 . 1 . . . . 219 . . . 5564 1 521 . 1 1 45 45 ALA N N 15 127.84 0.02 . 1 . . . . 219 . . . 5564 1 522 . 1 1 46 46 LEU C C 13 178.58 0.10 . 1 . . . . 220 . . . 5564 1 523 . 1 1 46 46 LEU CA C 13 55.71 0.10 . 1 . . . . 220 . . . 5564 1 524 . 1 1 46 46 LEU CB C 13 42.10 0.10 . 1 . . . . 220 . . . 5564 1 525 . 1 1 46 46 LEU CD1 C 13 26.81 0.10 . 1 . . . . 220 . . . 5564 1 526 . 1 1 46 46 LEU CD2 C 13 23.90 0.10 . 1 . . . . 220 . . . 5564 1 527 . 1 1 46 46 LEU CG C 13 26.67 0.10 . 1 . . . . 220 . . . 5564 1 528 . 1 1 46 46 LEU H H 1 8.44 0.03 . 1 . . . . 220 . . . 5564 1 529 . 1 1 46 46 LEU HA H 1 4.00 0.03 . 1 . . . . 220 . . . 5564 1 530 . 1 1 46 46 LEU HB2 H 1 1.54 0.03 . 1 . . . . 220 . . . 5564 1 531 . 1 1 46 46 LEU HB3 H 1 1.54 0.03 . 1 . . . . 220 . . . 5564 1 532 . 1 1 46 46 LEU HD11 H 1 0.69 0.03 . 1 . . . . 220 . . . 5564 1 533 . 1 1 46 46 LEU HD12 H 1 0.69 0.03 . 1 . . . . 220 . . . 5564 1 534 . 1 1 46 46 LEU HD13 H 1 0.69 0.03 . 1 . . . . 220 . . . 5564 1 535 . 1 1 46 46 LEU HD21 H 1 0.62 0.03 . 1 . . . . 220 . . . 5564 1 536 . 1 1 46 46 LEU HD22 H 1 0.62 0.03 . 1 . . . . 220 . . . 5564 1 537 . 1 1 46 46 LEU HD23 H 1 0.62 0.03 . 1 . . . . 220 . . . 5564 1 538 . 1 1 46 46 LEU HG H 1 1.81 0.03 . 1 . . . . 220 . . . 5564 1 539 . 1 1 46 46 LEU N N 15 121.26 0.02 . 1 . . . . 220 . . . 5564 1 540 . 1 1 47 47 LYS C C 13 175.11 0.10 . 1 . . . . 221 . . . 5564 1 541 . 1 1 47 47 LYS CA C 13 60.52 0.10 . 1 . . . . 221 . . . 5564 1 542 . 1 1 47 47 LYS CB C 13 30.84 0.10 . 1 . . . . 221 . . . 5564 1 543 . 1 1 47 47 LYS CD C 13 29.37 0.10 . 1 . . . . 221 . . . 5564 1 544 . 1 1 47 47 LYS CE C 13 42.03 0.10 . 1 . . . . 221 . . . 5564 1 545 . 1 1 47 47 LYS CG C 13 25.01 0.10 . 1 . . . . 221 . . . 5564 1 546 . 1 1 47 47 LYS H H 1 9.19 0.03 . 1 . . . . 221 . . . 5564 1 547 . 1 1 47 47 LYS HA H 1 3.69 0.03 . 1 . . . . 221 . . . 5564 1 548 . 1 1 47 47 LYS HB2 H 1 1.96 0.03 . 2 . . . . 221 . . . 5564 1 549 . 1 1 47 47 LYS HB3 H 1 1.83 0.03 . 2 . . . . 221 . . . 5564 1 550 . 1 1 47 47 LYS HD2 H 1 1.59 0.03 . 2 . . . . 221 . . . 5564 1 551 . 1 1 47 47 LYS HD3 H 1 1.53 0.03 . 2 . . . . 221 . . . 5564 1 552 . 1 1 47 47 LYS HE2 H 1 2.90 0.03 . 2 . . . . 221 . . . 5564 1 553 . 1 1 47 47 LYS HG2 H 1 1.31 0.03 . 1 . . . . 221 . . . 5564 1 554 . 1 1 47 47 LYS HG3 H 1 1.31 0.03 . 1 . . . . 221 . . . 5564 1 555 . 1 1 47 47 LYS N N 15 116.92 0.02 . 1 . . . . 221 . . . 5564 1 556 . 1 1 48 48 ASP C C 13 176.64 0.10 . 1 . . . . 222 . . . 5564 1 557 . 1 1 48 48 ASP CA C 13 52.91 0.10 . 1 . . . . 222 . . . 5564 1 558 . 1 1 48 48 ASP CB C 13 43.57 0.10 . 1 . . . . 222 . . . 5564 1 559 . 1 1 48 48 ASP H H 1 7.76 0.03 . 1 . . . . 222 . . . 5564 1 560 . 1 1 48 48 ASP HA H 1 4.44 0.03 . 1 . . . . 222 . . . 5564 1 561 . 1 1 48 48 ASP HB2 H 1 2.49 0.03 . 2 . . . . 222 . . . 5564 1 562 . 1 1 48 48 ASP HB3 H 1 2.27 0.03 . 2 . . . . 222 . . . 5564 1 563 . 1 1 48 48 ASP N N 15 121.36 0.02 . 1 . . . . 222 . . . 5564 1 564 . 1 1 49 49 SER C C 13 175.34 0.10 . 1 . . . . 223 . . . 5564 1 565 . 1 1 49 49 SER CA C 13 61.61 0.10 . 1 . . . . 223 . . . 5564 1 566 . 1 1 49 49 SER CB C 13 62.67 0.10 . 1 . . . . 223 . . . 5564 1 567 . 1 1 49 49 SER H H 1 8.76 0.03 . 1 . . . . 223 . . . 5564 1 568 . 1 1 49 49 SER HA H 1 3.95 0.03 . 1 . . . . 223 . . . 5564 1 569 . 1 1 49 49 SER HB2 H 1 3.89 0.03 . 1 . . . . 223 . . . 5564 1 570 . 1 1 49 49 SER HB3 H 1 3.89 0.03 . 1 . . . . 223 . . . 5564 1 571 . 1 1 49 49 SER N N 15 123.50 0.02 . 1 . . . . 223 . . . 5564 1 572 . 1 1 50 50 GLU C C 13 177.54 0.10 . 1 . . . . 224 . . . 5564 1 573 . 1 1 50 50 GLU CA C 13 57.24 0.10 . 1 . . . . 224 . . . 5564 1 574 . 1 1 50 50 GLU CB C 13 30.56 0.10 . 1 . . . . 224 . . . 5564 1 575 . 1 1 50 50 GLU CG C 13 37.19 0.10 . 1 . . . . 224 . . . 5564 1 576 . 1 1 50 50 GLU H H 1 8.72 0.03 . 1 . . . . 224 . . . 5564 1 577 . 1 1 50 50 GLU HA H 1 4.07 0.03 . 1 . . . . 224 . . . 5564 1 578 . 1 1 50 50 GLU HB2 H 1 2.22 0.03 . 1 . . . . 224 . . . 5564 1 579 . 1 1 50 50 GLU HB3 H 1 2.22 0.03 . 1 . . . . 224 . . . 5564 1 580 . 1 1 50 50 GLU HG2 H 1 2.34 0.03 . 2 . . . . 224 . . . 5564 1 581 . 1 1 50 50 GLU HG3 H 1 2.13 0.03 . 2 . . . . 224 . . . 5564 1 582 . 1 1 50 50 GLU N N 15 119.40 0.02 . 1 . . . . 224 . . . 5564 1 583 . 1 1 51 51 VAL CA C 13 61.30 0.10 . 1 . . . . 225 . . . 5564 1 584 . 1 1 51 51 VAL CB C 13 32.27 0.10 . 1 . . . . 225 . . . 5564 1 585 . 1 1 51 51 VAL CG1 C 13 20.47 0.10 . 1 . . . . 225 . . . 5564 1 586 . 1 1 51 51 VAL CG2 C 13 23.14 0.10 . 1 . . . . 225 . . . 5564 1 587 . 1 1 51 51 VAL H H 1 7.97 0.03 . 1 . . . . 225 . . . 5564 1 588 . 1 1 51 51 VAL HA H 1 4.18 0.03 . 1 . . . . 225 . . . 5564 1 589 . 1 1 51 51 VAL HB H 1 2.12 0.03 . 1 . . . . 225 . . . 5564 1 590 . 1 1 51 51 VAL HG11 H 1 0.87 0.03 . 1 . . . . 225 . . . 5564 1 591 . 1 1 51 51 VAL HG12 H 1 0.87 0.03 . 1 . . . . 225 . . . 5564 1 592 . 1 1 51 51 VAL HG13 H 1 0.87 0.03 . 1 . . . . 225 . . . 5564 1 593 . 1 1 51 51 VAL HG21 H 1 0.59 0.03 . 1 . . . . 225 . . . 5564 1 594 . 1 1 51 51 VAL HG22 H 1 0.59 0.03 . 1 . . . . 225 . . . 5564 1 595 . 1 1 51 51 VAL HG23 H 1 0.59 0.03 . 1 . . . . 225 . . . 5564 1 596 . 1 1 51 51 VAL N N 15 123.13 0.02 . 1 . . . . 225 . . . 5564 1 597 . 1 1 52 52 SER C C 13 174.42 0.10 . 1 . . . . 226 . . . 5564 1 598 . 1 1 52 52 SER CA C 13 61.03 0.10 . 1 . . . . 226 . . . 5564 1 599 . 1 1 52 52 SER CB C 13 64.78 0.10 . 1 . . . . 226 . . . 5564 1 600 . 1 1 52 52 SER HA H 1 4.58 0.03 . 1 . . . . 226 . . . 5564 1 601 . 1 1 52 52 SER HB2 H 1 4.09 0.03 . 9 . . . . 226 . . . 5564 1 602 . 1 1 53 53 GLY C C 13 175.05 0.10 . 1 . . . . 227 . . . 5564 1 603 . 1 1 53 53 GLY CA C 13 48.32 0.10 . 1 . . . . 227 . . . 5564 1 604 . 1 1 53 53 GLY H H 1 9.91 0.03 . 1 . . . . 227 . . . 5564 1 605 . 1 1 53 53 GLY HA2 H 1 3.99 0.03 . 2 . . . . 227 . . . 5564 1 606 . 1 1 53 53 GLY HA3 H 1 3.54 0.03 . 2 . . . . 227 . . . 5564 1 607 . 1 1 53 53 GLY N N 15 115.09 0.20 . 1 . . . . 227 . . . 5564 1 608 . 1 1 54 54 LYS C C 13 173.44 0.10 . 1 . . . . 228 . . . 5564 1 609 . 1 1 54 54 LYS CA C 13 56.07 0.10 . 1 . . . . 228 . . . 5564 1 610 . 1 1 54 54 LYS CB C 13 32.33 0.10 . 1 . . . . 228 . . . 5564 1 611 . 1 1 54 54 LYS CD C 13 29.62 0.10 . 1 . . . . 228 . . . 5564 1 612 . 1 1 54 54 LYS CE C 13 42.17 0.10 . 1 . . . . 228 . . . 5564 1 613 . 1 1 54 54 LYS CG C 13 24.31 0.10 . 1 . . . . 228 . . . 5564 1 614 . 1 1 54 54 LYS H H 1 8.20 0.03 . 1 . . . . 228 . . . 5564 1 615 . 1 1 54 54 LYS HA H 1 4.32 0.03 . 1 . . . . 228 . . . 5564 1 616 . 1 1 54 54 LYS HB2 H 1 1.60 0.03 . 2 . . . . 228 . . . 5564 1 617 . 1 1 54 54 LYS HB3 H 1 1.51 0.03 . 2 . . . . 228 . . . 5564 1 618 . 1 1 54 54 LYS HD2 H 1 1.61 0.03 . 1 . . . . 228 . . . 5564 1 619 . 1 1 54 54 LYS HD3 H 1 1.61 0.03 . 1 . . . . 228 . . . 5564 1 620 . 1 1 54 54 LYS HE2 H 1 2.92 0.03 . 2 . . . . 228 . . . 5564 1 621 . 1 1 54 54 LYS HG2 H 1 1.28 0.03 . 1 . . . . 228 . . . 5564 1 622 . 1 1 54 54 LYS HG3 H 1 1.28 0.03 . 1 . . . . 228 . . . 5564 1 623 . 1 1 54 54 LYS N N 15 121.38 0.02 . 1 . . . . 228 . . . 5564 1 624 . 1 1 55 55 HIS C C 13 174.25 0.10 . 1 . . . . 229 . . . 5564 1 625 . 1 1 55 55 HIS CA C 13 59.15 0.10 . 1 . . . . 229 . . . 5564 1 626 . 1 1 55 55 HIS CB C 13 34.51 0.10 . 1 . . . . 229 . . . 5564 1 627 . 1 1 55 55 HIS ND1 N 15 128.99 0.02 . 1 . . . . 229 . . . 5564 1 628 . 1 1 55 55 HIS CD2 C 13 118.00 0.10 . 1 . . . . 229 . . . 5564 1 629 . 1 1 55 55 HIS CE1 C 13 136.78 0.10 . 1 . . . . 229 . . . 5564 1 630 . 1 1 55 55 HIS NE2 N 15 111.58 0.02 . 1 . . . . 229 . . . 5564 1 631 . 1 1 55 55 HIS H H 1 7.78 0.03 . 1 . . . . 229 . . . 5564 1 632 . 1 1 55 55 HIS HA H 1 3.97 0.03 . 1 . . . . 229 . . . 5564 1 633 . 1 1 55 55 HIS HB2 H 1 3.03 0.03 . 2 . . . . 229 . . . 5564 1 634 . 1 1 55 55 HIS HB3 H 1 2.82 0.03 . 2 . . . . 229 . . . 5564 1 635 . 1 1 55 55 HIS HD1 H 1 11.63 0.03 . 1 . . . . 229 . . . 5564 1 636 . 1 1 55 55 HIS HD2 H 1 6.59 0.03 . 1 . . . . 229 . . . 5564 1 637 . 1 1 55 55 HIS HE1 H 1 7.59 0.03 . 1 . . . . 229 . . . 5564 1 638 . 1 1 55 55 HIS HE2 H 1 10.67 0.03 . 1 . . . . 229 . . . 5564 1 639 . 1 1 55 55 HIS N N 15 123.73 0.02 . 1 . . . . 229 . . . 5564 1 640 . 1 1 56 56 ALA C C 13 174.74 0.10 . 1 . . . . 230 . . . 5564 1 641 . 1 1 56 56 ALA CA C 13 50.79 0.10 . 1 . . . . 230 . . . 5564 1 642 . 1 1 56 56 ALA CB C 13 23.08 0.10 . 1 . . . . 230 . . . 5564 1 643 . 1 1 56 56 ALA H H 1 8.24 0.03 . 1 . . . . 230 . . . 5564 1 644 . 1 1 56 56 ALA HA H 1 4.98 0.03 . 1 . . . . 230 . . . 5564 1 645 . 1 1 56 56 ALA HB1 H 1 1.25 0.03 . 1 . . . . 230 . . . 5564 1 646 . 1 1 56 56 ALA HB2 H 1 1.25 0.03 . 1 . . . . 230 . . . 5564 1 647 . 1 1 56 56 ALA HB3 H 1 1.25 0.03 . 1 . . . . 230 . . . 5564 1 648 . 1 1 56 56 ALA N N 15 116.62 0.02 . 1 . . . . 230 . . . 5564 1 649 . 1 1 57 57 GLN C C 13 174.45 0.10 . 1 . . . . 231 . . . 5564 1 650 . 1 1 57 57 GLN CA C 13 54.15 0.10 . 1 . . . . 231 . . . 5564 1 651 . 1 1 57 57 GLN CB C 13 32.22 0.10 . 1 . . . . 231 . . . 5564 1 652 . 1 1 57 57 GLN CG C 13 32.43 0.10 . 1 . . . . 231 . . . 5564 1 653 . 1 1 57 57 GLN H H 1 8.51 0.03 . 1 . . . . 231 . . . 5564 1 654 . 1 1 57 57 GLN HA H 1 5.64 0.03 . 1 . . . . 231 . . . 5564 1 655 . 1 1 57 57 GLN HB2 H 1 1.76 0.03 . 1 . . . . 231 . . . 5564 1 656 . 1 1 57 57 GLN HB3 H 1 1.76 0.03 . 1 . . . . 231 . . . 5564 1 657 . 1 1 57 57 GLN HG2 H 1 2.13 0.03 . 1 . . . . 231 . . . 5564 1 658 . 1 1 57 57 GLN HG3 H 1 2.13 0.03 . 1 . . . . 231 . . . 5564 1 659 . 1 1 57 57 GLN N N 15 115.51 0.02 . 1 . . . . 231 . . . 5564 1 660 . 1 1 58 58 ILE C C 13 174.97 0.10 . 1 . . . . 232 . . . 5564 1 661 . 1 1 58 58 ILE CA C 13 59.80 0.10 . 1 . . . . 232 . . . 5564 1 662 . 1 1 58 58 ILE CB C 13 41.53 0.10 . 1 . . . . 232 . . . 5564 1 663 . 1 1 58 58 ILE CD1 C 13 15.10 0.10 . 1 . . . . 232 . . . 5564 1 664 . 1 1 58 58 ILE CG1 C 13 29.34 0.10 . 1 . . . . 232 . . . 5564 1 665 . 1 1 58 58 ILE CG2 C 13 18.81 0.10 . 1 . . . . 232 . . . 5564 1 666 . 1 1 58 58 ILE H H 1 9.00 0.03 . 1 . . . . 232 . . . 5564 1 667 . 1 1 58 58 ILE HA H 1 5.60 0.03 . 1 . . . . 232 . . . 5564 1 668 . 1 1 58 58 ILE HB H 1 1.40 0.03 . 1 . . . . 232 . . . 5564 1 669 . 1 1 58 58 ILE HD11 H 1 0.62 0.03 . 1 . . . . 232 . . . 5564 1 670 . 1 1 58 58 ILE HD12 H 1 0.62 0.03 . 1 . . . . 232 . . . 5564 1 671 . 1 1 58 58 ILE HD13 H 1 0.62 0.03 . 1 . . . . 232 . . . 5564 1 672 . 1 1 58 58 ILE HG12 H 1 1.41 0.03 . 2 . . . . 232 . . . 5564 1 673 . 1 1 58 58 ILE HG13 H 1 0.80 0.03 . 2 . . . . 232 . . . 5564 1 674 . 1 1 58 58 ILE HG21 H 1 1.05 0.03 . 1 . . . . 232 . . . 5564 1 675 . 1 1 58 58 ILE HG22 H 1 1.05 0.03 . 1 . . . . 232 . . . 5564 1 676 . 1 1 58 58 ILE HG23 H 1 1.05 0.03 . 1 . . . . 232 . . . 5564 1 677 . 1 1 58 58 ILE N N 15 122.32 0.02 . 1 . . . . 232 . . . 5564 1 678 . 1 1 59 59 THR C C 13 172.52 0.10 . 1 . . . . 233 . . . 5564 1 679 . 1 1 59 59 THR CA C 13 59.28 0.10 . 1 . . . . 233 . . . 5564 1 680 . 1 1 59 59 THR CB C 13 71.16 0.10 . 1 . . . . 233 . . . 5564 1 681 . 1 1 59 59 THR CG2 C 13 22.30 0.10 . 1 . . . . 233 . . . 5564 1 682 . 1 1 59 59 THR H H 1 9.33 0.03 . 1 . . . . 233 . . . 5564 1 683 . 1 1 59 59 THR HA H 1 4.83 0.03 . 1 . . . . 233 . . . 5564 1 684 . 1 1 59 59 THR HB H 1 4.16 0.03 . 1 . . . . 233 . . . 5564 1 685 . 1 1 59 59 THR HG21 H 1 1.16 0.03 . 1 . . . . 233 . . . 5564 1 686 . 1 1 59 59 THR HG22 H 1 1.16 0.03 . 1 . . . . 233 . . . 5564 1 687 . 1 1 59 59 THR HG23 H 1 1.16 0.03 . 1 . . . . 233 . . . 5564 1 688 . 1 1 59 59 THR N N 15 118.69 0.02 . 1 . . . . 233 . . . 5564 1 689 . 1 1 60 60 TRP C C 13 174.15 0.10 . 1 . . . . 234 . . . 5564 1 690 . 1 1 60 60 TRP CA C 13 54.93 0.10 . 1 . . . . 234 . . . 5564 1 691 . 1 1 60 60 TRP CB C 13 30.92 0.10 . 1 . . . . 234 . . . 5564 1 692 . 1 1 60 60 TRP CD1 C 13 125.68 0.10 . 4 . . . . 234 . . . 5564 1 693 . 1 1 60 60 TRP NE1 N 15 126.47 0.02 . 1 . . . . 234 . . . 5564 1 694 . 1 1 60 60 TRP CE3 C 13 119.35 0.10 . 4 . . . . 234 . . . 5564 1 695 . 1 1 60 60 TRP CH2 C 13 122.43 0.10 . 4 . . . . 234 . . . 5564 1 696 . 1 1 60 60 TRP CZ2 C 13 114.52 0.10 . 1 . . . . 234 . . . 5564 1 697 . 1 1 60 60 TRP CZ3 C 13 120.69 0.10 . 4 . . . . 234 . . . 5564 1 698 . 1 1 60 60 TRP H H 1 8.24 0.03 . 1 . . . . 234 . . . 5564 1 699 . 1 1 60 60 TRP HA H 1 4.52 0.03 . 1 . . . . 234 . . . 5564 1 700 . 1 1 60 60 TRP HB2 H 1 2.50 0.03 . 2 . . . . 234 . . . 5564 1 701 . 1 1 60 60 TRP HB3 H 1 1.95 0.03 . 2 . . . . 234 . . . 5564 1 702 . 1 1 60 60 TRP HD1 H 1 6.62 0.03 . 4 . . . . 234 . . . 5564 1 703 . 1 1 60 60 TRP HE1 H 1 9.51 0.03 . 1 . . . . 234 . . . 5564 1 704 . 1 1 60 60 TRP HE3 H 1 7.38 0.03 . 2 . . . . 234 . . . 5564 1 705 . 1 1 60 60 TRP HH2 H 1 6.25 0.03 . 4 . . . . 234 . . . 5564 1 706 . 1 1 60 60 TRP HZ2 H 1 6.93 0.03 . 1 . . . . 234 . . . 5564 1 707 . 1 1 60 60 TRP HZ3 H 1 6.78 0.03 . 4 . . . . 234 . . . 5564 1 708 . 1 1 60 60 TRP N N 15 122.24 0.02 . 1 . . . . 234 . . . 5564 1 709 . 1 1 61 61 ASN C C 13 175.01 0.10 . 1 . . . . 235 . . . 5564 1 710 . 1 1 61 61 ASN CA C 13 51.41 0.10 . 1 . . . . 235 . . . 5564 1 711 . 1 1 61 61 ASN CB C 13 37.88 0.10 . 1 . . . . 235 . . . 5564 1 712 . 1 1 61 61 ASN H H 1 8.31 0.03 . 1 . . . . 235 . . . 5564 1 713 . 1 1 61 61 ASN HA H 1 4.44 0.03 . 1 . . . . 235 . . . 5564 1 714 . 1 1 61 61 ASN HB2 H 1 2.53 0.03 . 2 . . . . 235 . . . 5564 1 715 . 1 1 61 61 ASN HB3 H 1 2.25 0.03 . 2 . . . . 235 . . . 5564 1 716 . 1 1 61 61 ASN N N 15 128.11 0.02 . 1 . . . . 235 . . . 5564 1 717 . 1 1 62 62 SER C C 13 174.32 0.10 . 1 . . . . 236 . . . 5564 1 718 . 1 1 62 62 SER CA C 13 59.91 0.10 . 1 . . . . 236 . . . 5564 1 719 . 1 1 62 62 SER CB C 13 63.37 0.10 . 1 . . . . 236 . . . 5564 1 720 . 1 1 62 62 SER H H 1 8.17 0.03 . 1 . . . . 236 . . . 5564 1 721 . 1 1 62 62 SER HA H 1 3.42 0.03 . 1 . . . . 236 . . . 5564 1 722 . 1 1 62 62 SER HB2 H 1 3.95 0.03 . 2 . . . . 236 . . . 5564 1 723 . 1 1 62 62 SER HB3 H 1 3.74 0.03 . 2 . . . . 236 . . . 5564 1 724 . 1 1 62 62 SER N N 15 120.27 0.02 . 1 . . . . 236 . . . 5564 1 725 . 1 1 63 63 THR C C 13 175.14 0.10 . 1 . . . . 237 . . . 5564 1 726 . 1 1 63 63 THR CA C 13 64.69 0.10 . 1 . . . . 237 . . . 5564 1 727 . 1 1 63 63 THR CB C 13 68.13 0.10 . 1 . . . . 237 . . . 5564 1 728 . 1 1 63 63 THR CG2 C 13 21.57 0.10 . 1 . . . . 237 . . . 5564 1 729 . 1 1 63 63 THR H H 1 7.75 0.03 . 1 . . . . 237 . . . 5564 1 730 . 1 1 63 63 THR HA H 1 3.91 0.03 . 1 . . . . 237 . . . 5564 1 731 . 1 1 63 63 THR HB H 1 4.02 0.03 . 1 . . . . 237 . . . 5564 1 732 . 1 1 63 63 THR HG21 H 1 1.02 0.03 . 1 . . . . 237 . . . 5564 1 733 . 1 1 63 63 THR HG22 H 1 1.02 0.03 . 1 . . . . 237 . . . 5564 1 734 . 1 1 63 63 THR HG23 H 1 1.02 0.03 . 1 . . . . 237 . . . 5564 1 735 . 1 1 63 63 THR N N 15 116.60 0.02 . 1 . . . . 237 . . . 5564 1 736 . 1 1 64 64 LYS C C 13 175.80 0.10 . 1 . . . . 238 . . . 5564 1 737 . 1 1 64 64 LYS CA C 13 56.08 0.10 . 1 . . . . 238 . . . 5564 1 738 . 1 1 64 64 LYS CB C 13 34.17 0.10 . 1 . . . . 238 . . . 5564 1 739 . 1 1 64 64 LYS CD C 13 29.68 0.10 . 1 . . . . 238 . . . 5564 1 740 . 1 1 64 64 LYS CE C 13 41.77 0.10 . 1 . . . . 238 . . . 5564 1 741 . 1 1 64 64 LYS CG C 13 25.03 0.10 . 1 . . . . 238 . . . 5564 1 742 . 1 1 64 64 LYS H H 1 6.94 0.03 . 1 . . . . 238 . . . 5564 1 743 . 1 1 64 64 LYS HA H 1 3.91 0.03 . 1 . . . . 238 . . . 5564 1 744 . 1 1 64 64 LYS HB2 H 1 1.51 0.03 . 2 . . . . 238 . . . 5564 1 745 . 1 1 64 64 LYS HB3 H 1 0.89 0.03 . 2 . . . . 238 . . . 5564 1 746 . 1 1 64 64 LYS HD2 H 1 1.27 0.03 . 2 . . . . 238 . . . 5564 1 747 . 1 1 64 64 LYS HD3 H 1 1.45 0.03 . 2 . . . . 238 . . . 5564 1 748 . 1 1 64 64 LYS HE2 H 1 2.72 0.03 . 5 . . . . 238 . . . 5564 1 749 . 1 1 64 64 LYS HE3 H 1 2.63 0.03 . 5 . . . . 238 . . . 5564 1 750 . 1 1 64 64 LYS HG2 H 1 1.07 0.03 . 2 . . . . 238 . . . 5564 1 751 . 1 1 64 64 LYS HG3 H 1 0.90 0.03 . 2 . . . . 238 . . . 5564 1 752 . 1 1 64 64 LYS N N 15 118.01 0.02 . 1 . . . . 238 . . . 5564 1 753 . 1 1 65 65 PHE C C 13 174.74 0.10 . 1 . . . . 239 . . . 5564 1 754 . 1 1 65 65 PHE CA C 13 58.22 0.10 . 1 . . . . 239 . . . 5564 1 755 . 1 1 65 65 PHE CB C 13 36.01 0.10 . 1 . . . . 239 . . . 5564 1 756 . 1 1 65 65 PHE CD1 C 13 128.52 0.10 . 1 . . . . 239 . . . 5564 1 757 . 1 1 65 65 PHE CE1 C 13 131.04 0.10 . 1 . . . . 239 . . . 5564 1 758 . 1 1 65 65 PHE CZ C 13 131.09 0.10 . 1 . . . . 239 . . . 5564 1 759 . 1 1 65 65 PHE H H 1 7.44 0.03 . 1 . . . . 239 . . . 5564 1 760 . 1 1 65 65 PHE HA H 1 3.05 0.03 . 1 . . . . 239 . . . 5564 1 761 . 1 1 65 65 PHE HB2 H 1 3.05 0.03 . 2 . . . . 239 . . . 5564 1 762 . 1 1 65 65 PHE HB3 H 1 3.25 0.03 . 2 . . . . 239 . . . 5564 1 763 . 1 1 65 65 PHE HD1 H 1 7.15 0.03 . 1 . . . . 239 . . . 5564 1 764 . 1 1 65 65 PHE HD2 H 1 7.15 0.03 . 1 . . . . 239 . . . 5564 1 765 . 1 1 65 65 PHE HE1 H 1 7.27 0.03 . 1 . . . . 239 . . . 5564 1 766 . 1 1 65 65 PHE HE2 H 1 7.27 0.03 . 1 . . . . 239 . . . 5564 1 767 . 1 1 65 65 PHE HZ H 1 7.02 0.03 . 1 . . . . 239 . . . 5564 1 768 . 1 1 65 65 PHE N N 15 119.52 0.02 . 1 . . . . 239 . . . 5564 1 769 . 1 1 66 66 LYS C C 13 174.22 0.10 . 1 . . . . 240 . . . 5564 1 770 . 1 1 66 66 LYS CA C 13 53.21 0.10 . 1 . . . . 240 . . . 5564 1 771 . 1 1 66 66 LYS CB C 13 38.11 0.10 . 1 . . . . 240 . . . 5564 1 772 . 1 1 66 66 LYS CD C 13 29.32 0.10 . 1 . . . . 240 . . . 5564 1 773 . 1 1 66 66 LYS CE C 13 42.61 0.10 . 1 . . . . 240 . . . 5564 1 774 . 1 1 66 66 LYS CG C 13 24.19 0.10 . 1 . . . . 240 . . . 5564 1 775 . 1 1 66 66 LYS H H 1 6.07 0.03 . 1 . . . . 240 . . . 5564 1 776 . 1 1 66 66 LYS HA H 1 4.50 0.03 . 1 . . . . 240 . . . 5564 1 777 . 1 1 66 66 LYS HB2 H 1 0.99 0.03 . 2 . . . . 240 . . . 5564 1 778 . 1 1 66 66 LYS HB3 H 1 1.69 0.03 . 2 . . . . 240 . . . 5564 1 779 . 1 1 66 66 LYS HD2 H 1 1.48 0.03 . 2 . . . . 240 . . . 5564 1 780 . 1 1 66 66 LYS HD3 H 1 1.85 0.03 . 2 . . . . 240 . . . 5564 1 781 . 1 1 66 66 LYS HE2 H 1 2.95 0.03 . 1 . . . . 240 . . . 5564 1 782 . 1 1 66 66 LYS HE3 H 1 2.95 0.03 . 1 . . . . 240 . . . 5564 1 783 . 1 1 66 66 LYS HG2 H 1 1.17 0.03 . 1 . . . . 240 . . . 5564 1 784 . 1 1 66 66 LYS HG3 H 1 1.17 0.03 . 1 . . . . 240 . . . 5564 1 785 . 1 1 66 66 LYS N N 15 114.64 0.02 . 1 . . . . 240 . . . 5564 1 786 . 1 1 67 67 TRP C C 13 176.24 0.10 . 1 . . . . 241 . . . 5564 1 787 . 1 1 67 67 TRP CA C 13 56.16 0.10 . 1 . . . . 241 . . . 5564 1 788 . 1 1 67 67 TRP CB C 13 30.35 0.10 . 1 . . . . 241 . . . 5564 1 789 . 1 1 67 67 TRP NE1 N 15 129.87 0.02 . 1 . . . . 241 . . . 5564 1 790 . 1 1 67 67 TRP CE3 C 13 121.41 0.10 . 4 . . . . 241 . . . 5564 1 791 . 1 1 67 67 TRP CH2 C 13 124.20 0.10 . 4 . . . . 241 . . . 5564 1 792 . 1 1 67 67 TRP CZ2 C 13 114.50 0.10 . 1 . . . . 241 . . . 5564 1 793 . 1 1 67 67 TRP CZ3 C 13 120.60 0.10 . 4 . . . . 241 . . . 5564 1 794 . 1 1 67 67 TRP H H 1 9.56 0.03 . 1 . . . . 241 . . . 5564 1 795 . 1 1 67 67 TRP HA H 1 5.20 0.03 . 1 . . . . 241 . . . 5564 1 796 . 1 1 67 67 TRP HB2 H 1 3.07 0.03 . 2 . . . . 241 . . . 5564 1 797 . 1 1 67 67 TRP HB3 H 1 2.97 0.03 . 2 . . . . 241 . . . 5564 1 798 . 1 1 67 67 TRP HD1 H 1 6.76 0.03 . 2 . . . . 241 . . . 5564 1 799 . 1 1 67 67 TRP HE1 H 1 9.86 0.03 . 1 . . . . 241 . . . 5564 1 800 . 1 1 67 67 TRP HE3 H 1 7.11 0.03 . 2 . . . . 241 . . . 5564 1 801 . 1 1 67 67 TRP HH2 H 1 7.20 0.03 . 4 . . . . 241 . . . 5564 1 802 . 1 1 67 67 TRP HZ2 H 1 7.45 0.03 . 1 . . . . 241 . . . 5564 1 803 . 1 1 67 67 TRP HZ3 H 1 7.66 0.03 . 4 . . . . 241 . . . 5564 1 804 . 1 1 67 67 TRP N N 15 124.59 0.02 . 1 . . . . 241 . . . 5564 1 805 . 1 1 68 68 GLU C C 13 174.30 0.10 . 1 . . . . 242 . . . 5564 1 806 . 1 1 68 68 GLU CA C 13 54.52 0.10 . 1 . . . . 242 . . . 5564 1 807 . 1 1 68 68 GLU CB C 13 34.05 0.10 . 1 . . . . 242 . . . 5564 1 808 . 1 1 68 68 GLU CG C 13 37.72 0.10 . 1 . . . . 242 . . . 5564 1 809 . 1 1 68 68 GLU H H 1 9.36 0.03 . 1 . . . . 242 . . . 5564 1 810 . 1 1 68 68 GLU HA H 1 5.36 0.03 . 1 . . . . 242 . . . 5564 1 811 . 1 1 68 68 GLU HB2 H 1 1.55 0.03 . 2 . . . . 242 . . . 5564 1 812 . 1 1 68 68 GLU HB3 H 1 1.85 0.03 . 2 . . . . 242 . . . 5564 1 813 . 1 1 68 68 GLU HG2 H 1 1.96 0.03 . 2 . . . . 242 . . . 5564 1 814 . 1 1 68 68 GLU HG3 H 1 1.71 0.03 . 2 . . . . 242 . . . 5564 1 815 . 1 1 68 68 GLU N N 15 120.82 0.02 . 1 . . . . 242 . . . 5564 1 816 . 1 1 69 69 LEU C C 13 173.86 0.10 . 1 . . . . 243 . . . 5564 1 817 . 1 1 69 69 LEU CA C 13 52.82 0.10 . 1 . . . . 243 . . . 5564 1 818 . 1 1 69 69 LEU CB C 13 46.73 0.10 . 1 . . . . 243 . . . 5564 1 819 . 1 1 69 69 LEU CD1 C 13 24.35 0.10 . 1 . . . . 243 . . . 5564 1 820 . 1 1 69 69 LEU CD2 C 13 29.60 0.10 . 1 . . . . 243 . . . 5564 1 821 . 1 1 69 69 LEU CG C 13 27.33 0.10 . 1 . . . . 243 . . . 5564 1 822 . 1 1 69 69 LEU H H 1 9.12 0.03 . 1 . . . . 243 . . . 5564 1 823 . 1 1 69 69 LEU HA H 1 5.22 0.03 . 1 . . . . 243 . . . 5564 1 824 . 1 1 69 69 LEU HB2 H 1 1.61 0.03 . 2 . . . . 243 . . . 5564 1 825 . 1 1 69 69 LEU HB3 H 1 1.23 0.03 . 2 . . . . 243 . . . 5564 1 826 . 1 1 69 69 LEU HD11 H 1 0.69 0.03 . 1 . . . . 243 . . . 5564 1 827 . 1 1 69 69 LEU HD12 H 1 0.69 0.03 . 1 . . . . 243 . . . 5564 1 828 . 1 1 69 69 LEU HD13 H 1 0.69 0.03 . 1 . . . . 243 . . . 5564 1 829 . 1 1 69 69 LEU HD21 H 1 0.63 0.03 . 1 . . . . 243 . . . 5564 1 830 . 1 1 69 69 LEU HD22 H 1 0.63 0.03 . 1 . . . . 243 . . . 5564 1 831 . 1 1 69 69 LEU HD23 H 1 0.63 0.03 . 1 . . . . 243 . . . 5564 1 832 . 1 1 69 69 LEU HG H 1 1.23 0.03 . 1 . . . . 243 . . . 5564 1 833 . 1 1 69 69 LEU N N 15 125.78 0.02 . 1 . . . . 243 . . . 5564 1 834 . 1 1 70 70 VAL C C 13 173.39 0.10 . 1 . . . . 244 . . . 5564 1 835 . 1 1 70 70 VAL CA C 13 59.67 0.10 . 1 . . . . 244 . . . 5564 1 836 . 1 1 70 70 VAL CB C 13 37.41 0.10 . 1 . . . . 244 . . . 5564 1 837 . 1 1 70 70 VAL CG1 C 13 20.84 0.10 . 1 . . . . 244 . . . 5564 1 838 . 1 1 70 70 VAL CG2 C 13 22.67 0.10 . 1 . . . . 244 . . . 5564 1 839 . 1 1 70 70 VAL H H 1 8.65 0.03 . 1 . . . . 244 . . . 5564 1 840 . 1 1 70 70 VAL HA H 1 4.51 0.03 . 1 . . . . 244 . . . 5564 1 841 . 1 1 70 70 VAL HB H 1 1.68 0.03 . 1 . . . . 244 . . . 5564 1 842 . 1 1 70 70 VAL HG11 H 1 0.80 0.03 . 1 . . . . 244 . . . 5564 1 843 . 1 1 70 70 VAL HG12 H 1 0.80 0.03 . 1 . . . . 244 . . . 5564 1 844 . 1 1 70 70 VAL HG13 H 1 0.80 0.03 . 1 . . . . 244 . . . 5564 1 845 . 1 1 70 70 VAL HG21 H 1 0.85 0.03 . 1 . . . . 244 . . . 5564 1 846 . 1 1 70 70 VAL HG22 H 1 0.85 0.03 . 1 . . . . 244 . . . 5564 1 847 . 1 1 70 70 VAL HG23 H 1 0.85 0.03 . 1 . . . . 244 . . . 5564 1 848 . 1 1 70 70 VAL N N 15 123.08 0.02 . 1 . . . . 244 . . . 5564 1 849 . 1 1 71 71 ASP C C 13 175.52 0.10 . 1 . . . . 245 . . . 5564 1 850 . 1 1 71 71 ASP CA C 13 54.27 0.10 . 1 . . . . 245 . . . 5564 1 851 . 1 1 71 71 ASP CB C 13 43.79 0.10 . 1 . . . . 245 . . . 5564 1 852 . 1 1 71 71 ASP H H 1 8.83 0.03 . 1 . . . . 245 . . . 5564 1 853 . 1 1 71 71 ASP HA H 1 4.55 0.03 . 1 . . . . 245 . . . 5564 1 854 . 1 1 71 71 ASP HB2 H 1 2.64 0.03 . 2 . . . . 245 . . . 5564 1 855 . 1 1 71 71 ASP HB3 H 1 2.08 0.03 . 2 . . . . 245 . . . 5564 1 856 . 1 1 71 71 ASP N N 15 127.11 0.02 . 1 . . . . 245 . . . 5564 1 857 . 1 1 72 72 MET C C 13 175.10 0.10 . 1 . . . . 246 . . . 5564 1 858 . 1 1 72 72 MET CA C 13 54.37 0.10 . 1 . . . . 246 . . . 5564 1 859 . 1 1 72 72 MET CB C 13 29.98 0.10 . 1 . . . . 246 . . . 5564 1 860 . 1 1 72 72 MET CE C 13 16.35 0.10 . 1 . . . . 246 . . . 5564 1 861 . 1 1 72 72 MET CG C 13 31.61 0.10 . 1 . . . . 246 . . . 5564 1 862 . 1 1 72 72 MET H H 1 7.99 0.03 . 1 . . . . 246 . . . 5564 1 863 . 1 1 72 72 MET HA H 1 2.73 0.03 . 1 . . . . 246 . . . 5564 1 864 . 1 1 72 72 MET HB2 H 1 1.46 0.03 . 2 . . . . 246 . . . 5564 1 865 . 1 1 72 72 MET HB3 H 1 0.81 0.03 . 2 . . . . 246 . . . 5564 1 866 . 1 1 72 72 MET HE1 H 1 1.73 0.03 . 1 . . . . 246 . . . 5564 1 867 . 1 1 72 72 MET HE2 H 1 1.73 0.03 . 1 . . . . 246 . . . 5564 1 868 . 1 1 72 72 MET HE3 H 1 1.73 0.03 . 1 . . . . 246 . . . 5564 1 869 . 1 1 72 72 MET HG2 H 1 0.40 0.03 . 2 . . . . 246 . . . 5564 1 870 . 1 1 72 72 MET HG3 H 1 1.47 0.03 . 2 . . . . 246 . . . 5564 1 871 . 1 1 72 72 MET N N 15 128.74 0.02 . 1 . . . . 246 . . . 5564 1 872 . 1 1 73 73 GLY C C 13 175.87 0.10 . 1 . . . . 247 . . . 5564 1 873 . 1 1 73 73 GLY CA C 13 46.46 0.10 . 1 . . . . 247 . . . 5564 1 874 . 1 1 73 73 GLY H H 1 7.98 0.03 . 1 . . . . 247 . . . 5564 1 875 . 1 1 73 73 GLY HA2 H 1 3.54 0.03 . 2 . . . . 247 . . . 5564 1 876 . 1 1 73 73 GLY HA3 H 1 3.49 0.03 . 2 . . . . 247 . . . 5564 1 877 . 1 1 73 73 GLY N N 15 111.02 0.02 . 1 . . . . 247 . . . 5564 1 878 . 1 1 74 74 SER C C 13 174.50 0.10 . 1 . . . . 248 . . . 5564 1 879 . 1 1 74 74 SER CA C 13 58.61 0.10 . 1 . . . . 248 . . . 5564 1 880 . 1 1 74 74 SER CB C 13 60.70 0.10 . 1 . . . . 248 . . . 5564 1 881 . 1 1 74 74 SER H H 1 8.68 0.03 . 1 . . . . 248 . . . 5564 1 882 . 1 1 74 74 SER HA H 1 3.68 0.03 . 1 . . . . 248 . . . 5564 1 883 . 1 1 74 74 SER HB2 H 1 2.97 0.03 . 2 . . . . 248 . . . 5564 1 884 . 1 1 74 74 SER N N 15 119.13 0.02 . 1 . . . . 248 . . . 5564 1 885 . 1 1 75 75 LEU C C 13 178.42 0.10 . 1 . . . . 249 . . . 5564 1 886 . 1 1 75 75 LEU CA C 13 58.08 0.10 . 1 . . . . 249 . . . 5564 1 887 . 1 1 75 75 LEU CB C 13 42.34 0.10 . 1 . . . . 249 . . . 5564 1 888 . 1 1 75 75 LEU CD1 C 13 23.41 0.10 . 1 . . . . 249 . . . 5564 1 889 . 1 1 75 75 LEU CD2 C 13 25.17 0.10 . 1 . . . . 249 . . . 5564 1 890 . 1 1 75 75 LEU CG C 13 26.64 0.10 . 1 . . . . 249 . . . 5564 1 891 . 1 1 75 75 LEU H H 1 7.26 0.03 . 1 . . . . 249 . . . 5564 1 892 . 1 1 75 75 LEU HA H 1 3.99 0.03 . 1 . . . . 249 . . . 5564 1 893 . 1 1 75 75 LEU HB2 H 1 1.65 0.03 . 2 . . . . 249 . . . 5564 1 894 . 1 1 75 75 LEU HB3 H 1 1.63 0.03 . 2 . . . . 249 . . . 5564 1 895 . 1 1 75 75 LEU HD11 H 1 0.86 0.03 . 1 . . . . 249 . . . 5564 1 896 . 1 1 75 75 LEU HD12 H 1 0.86 0.03 . 1 . . . . 249 . . . 5564 1 897 . 1 1 75 75 LEU HD13 H 1 0.86 0.03 . 1 . . . . 249 . . . 5564 1 898 . 1 1 75 75 LEU HD21 H 1 0.84 0.03 . 1 . . . . 249 . . . 5564 1 899 . 1 1 75 75 LEU HD22 H 1 0.84 0.03 . 1 . . . . 249 . . . 5564 1 900 . 1 1 75 75 LEU HD23 H 1 0.84 0.03 . 1 . . . . 249 . . . 5564 1 901 . 1 1 75 75 LEU HG H 1 1.38 0.03 . 1 . . . . 249 . . . 5564 1 902 . 1 1 75 75 LEU N N 15 121.63 0.02 . 1 . . . . 249 . . . 5564 1 903 . 1 1 76 76 ASN C C 13 176.33 0.10 . 1 . . . . 250 . . . 5564 1 904 . 1 1 76 76 ASN CA C 13 53.22 0.10 . 1 . . . . 250 . . . 5564 1 905 . 1 1 76 76 ASN CB C 13 40.27 0.10 . 1 . . . . 250 . . . 5564 1 906 . 1 1 76 76 ASN H H 1 9.15 0.03 . 1 . . . . 250 . . . 5564 1 907 . 1 1 76 76 ASN HA H 1 4.96 0.03 . 1 . . . . 250 . . . 5564 1 908 . 1 1 76 76 ASN HB2 H 1 3.01 0.03 . 2 . . . . 250 . . . 5564 1 909 . 1 1 76 76 ASN HB3 H 1 2.65 0.03 . 2 . . . . 250 . . . 5564 1 910 . 1 1 76 76 ASN N N 15 111.20 0.02 . 1 . . . . 250 . . . 5564 1 911 . 1 1 77 77 GLY C C 13 173.53 0.10 . 1 . . . . 251 . . . 5564 1 912 . 1 1 77 77 GLY CA C 13 45.47 0.10 . 1 . . . . 251 . . . 5564 1 913 . 1 1 77 77 GLY H H 1 7.50 0.03 . 1 . . . . 251 . . . 5564 1 914 . 1 1 77 77 GLY HA2 H 1 4.27 0.03 . 2 . . . . 251 . . . 5564 1 915 . 1 1 77 77 GLY HA3 H 1 3.67 0.03 . 2 . . . . 251 . . . 5564 1 916 . 1 1 77 77 GLY N N 15 110.34 0.02 . 1 . . . . 251 . . . 5564 1 917 . 1 1 78 78 THR C C 13 172.82 0.10 . 1 . . . . 252 . . . 5564 1 918 . 1 1 78 78 THR CA C 13 62.55 0.10 . 1 . . . . 252 . . . 5564 1 919 . 1 1 78 78 THR CB C 13 70.87 0.10 . 1 . . . . 252 . . . 5564 1 920 . 1 1 78 78 THR CG2 C 13 23.19 0.10 . 1 . . . . 252 . . . 5564 1 921 . 1 1 78 78 THR H H 1 7.25 0.03 . 1 . . . . 252 . . . 5564 1 922 . 1 1 78 78 THR HA H 1 5.22 0.03 . 1 . . . . 252 . . . 5564 1 923 . 1 1 78 78 THR HB H 1 3.51 0.03 . 1 . . . . 252 . . . 5564 1 924 . 1 1 78 78 THR HG21 H 1 0.97 0.03 . 1 . . . . 252 . . . 5564 1 925 . 1 1 78 78 THR HG22 H 1 0.97 0.03 . 1 . . . . 252 . . . 5564 1 926 . 1 1 78 78 THR HG23 H 1 0.97 0.03 . 1 . . . . 252 . . . 5564 1 927 . 1 1 78 78 THR N N 15 116.00 0.02 . 1 . . . . 252 . . . 5564 1 928 . 1 1 79 79 LEU C C 13 177.02 0.10 . 1 . . . . 253 . . . 5564 1 929 . 1 1 79 79 LEU CA C 13 52.75 0.10 . 1 . . . . 253 . . . 5564 1 930 . 1 1 79 79 LEU CB C 13 44.57 0.10 . 1 . . . . 253 . . . 5564 1 931 . 1 1 79 79 LEU CD1 C 13 25.35 0.10 . 1 . . . . 253 . . . 5564 1 932 . 1 1 79 79 LEU CD2 C 13 23.16 0.10 . 1 . . . . 253 . . . 5564 1 933 . 1 1 79 79 LEU CG C 13 23.39 0.10 . 1 . . . . 253 . . . 5564 1 934 . 1 1 79 79 LEU H H 1 9.45 0.03 . 1 . . . . 253 . . . 5564 1 935 . 1 1 79 79 LEU HA H 1 5.23 0.03 . 1 . . . . 253 . . . 5564 1 936 . 1 1 79 79 LEU HB2 H 1 1.58 0.03 . 2 . . . . 253 . . . 5564 1 937 . 1 1 79 79 LEU HB3 H 1 1.02 0.03 . 2 . . . . 253 . . . 5564 1 938 . 1 1 79 79 LEU HD11 H 1 0.75 0.03 . 1 . . . . 253 . . . 5564 1 939 . 1 1 79 79 LEU HD12 H 1 0.75 0.03 . 1 . . . . 253 . . . 5564 1 940 . 1 1 79 79 LEU HD13 H 1 0.75 0.03 . 1 . . . . 253 . . . 5564 1 941 . 1 1 79 79 LEU HD21 H 1 0.65 0.03 . 1 . . . . 253 . . . 5564 1 942 . 1 1 79 79 LEU HD22 H 1 0.65 0.03 . 1 . . . . 253 . . . 5564 1 943 . 1 1 79 79 LEU HD23 H 1 0.65 0.03 . 1 . . . . 253 . . . 5564 1 944 . 1 1 79 79 LEU HG H 1 0.99 0.03 . 1 . . . . 253 . . . 5564 1 945 . 1 1 79 79 LEU N N 15 124.71 0.02 . 1 . . . . 253 . . . 5564 1 946 . 1 1 80 80 VAL C C 13 176.58 0.10 . 1 . . . . 254 . . . 5564 1 947 . 1 1 80 80 VAL CA C 13 62.55 0.10 . 1 . . . . 254 . . . 5564 1 948 . 1 1 80 80 VAL CB C 13 32.94 0.10 . 1 . . . . 254 . . . 5564 1 949 . 1 1 80 80 VAL CG1 C 13 20.91 0.10 . 1 . . . . 254 . . . 5564 1 950 . 1 1 80 80 VAL CG2 C 13 24.00 0.10 . 1 . . . . 254 . . . 5564 1 951 . 1 1 80 80 VAL H H 1 8.83 0.03 . 1 . . . . 254 . . . 5564 1 952 . 1 1 80 80 VAL HA H 1 4.44 0.03 . 1 . . . . 254 . . . 5564 1 953 . 1 1 80 80 VAL HB H 1 1.79 0.03 . 1 . . . . 254 . . . 5564 1 954 . 1 1 80 80 VAL HG11 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 955 . 1 1 80 80 VAL HG12 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 956 . 1 1 80 80 VAL HG13 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 957 . 1 1 80 80 VAL HG21 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 958 . 1 1 80 80 VAL HG22 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 959 . 1 1 80 80 VAL HG23 H 1 0.76 0.03 . 1 . . . . 254 . . . 5564 1 960 . 1 1 80 80 VAL N N 15 119.88 0.02 . 1 . . . . 254 . . . 5564 1 961 . 1 1 81 81 ASN C C 13 175.11 0.10 . 1 . . . . 255 . . . 5564 1 962 . 1 1 81 81 ASN CA C 13 55.02 0.10 . 1 . . . . 255 . . . 5564 1 963 . 1 1 81 81 ASN CB C 13 36.85 0.10 . 1 . . . . 255 . . . 5564 1 964 . 1 1 81 81 ASN H H 1 9.64 0.03 . 1 . . . . 255 . . . 5564 1 965 . 1 1 81 81 ASN HA H 1 4.33 0.03 . 1 . . . . 255 . . . 5564 1 966 . 1 1 81 81 ASN HB2 H 1 3.09 0.03 . 2 . . . . 255 . . . 5564 1 967 . 1 1 81 81 ASN HB3 H 1 2.87 0.03 . 2 . . . . 255 . . . 5564 1 968 . 1 1 81 81 ASN N N 15 128.33 0.02 . 1 . . . . 255 . . . 5564 1 969 . 1 1 82 82 SER C C 13 172.33 0.10 . 1 . . . . 256 . . . 5564 1 970 . 1 1 82 82 SER CA C 13 60.56 0.10 . 1 . . . . 256 . . . 5564 1 971 . 1 1 82 82 SER CB C 13 62.67 0.10 . 1 . . . . 256 . . . 5564 1 972 . 1 1 82 82 SER H H 1 8.18 0.03 . 1 . . . . 256 . . . 5564 1 973 . 1 1 82 82 SER HA H 1 3.90 0.03 . 1 . . . . 256 . . . 5564 1 974 . 1 1 82 82 SER HB2 H 1 4.06 0.03 . 1 . . . . 256 . . . 5564 1 975 . 1 1 82 82 SER HB3 H 1 4.06 0.03 . 1 . . . . 256 . . . 5564 1 976 . 1 1 82 82 SER N N 15 107.87 0.02 . 1 . . . . 256 . . . 5564 1 977 . 1 1 83 83 HIS C C 13 174.63 0.10 . 1 . . . . 257 . . . 5564 1 978 . 1 1 83 83 HIS CA C 13 54.33 0.10 . 1 . . . . 257 . . . 5564 1 979 . 1 1 83 83 HIS CB C 13 30.80 0.10 . 1 . . . . 257 . . . 5564 1 980 . 1 1 83 83 HIS CE1 C 13 136.23 0.10 . 1 . . . . 257 . . . 5564 1 981 . 1 1 83 83 HIS H H 1 7.99 0.03 . 1 . . . . 257 . . . 5564 1 982 . 1 1 83 83 HIS HA H 1 4.93 0.03 . 1 . . . . 257 . . . 5564 1 983 . 1 1 83 83 HIS HB2 H 1 3.17 0.03 . 1 . . . . 257 . . . 5564 1 984 . 1 1 83 83 HIS HB3 H 1 3.17 0.03 . 1 . . . . 257 . . . 5564 1 985 . 1 1 83 83 HIS HE1 H 1 8.40 0.03 . 1 . . . . 257 . . . 5564 1 986 . 1 1 83 83 HIS N N 15 120.90 0.02 . 1 . . . . 257 . . . 5564 1 987 . 1 1 84 84 SER C C 13 177.03 0.10 . 1 . . . . 258 . . . 5564 1 988 . 1 1 84 84 SER CA C 13 59.25 0.10 . 1 . . . . 258 . . . 5564 1 989 . 1 1 84 84 SER CB C 13 63.07 0.10 . 1 . . . . 258 . . . 5564 1 990 . 1 1 84 84 SER H H 1 9.06 0.03 . 1 . . . . 258 . . . 5564 1 991 . 1 1 84 84 SER HA H 1 4.65 0.03 . 1 . . . . 258 . . . 5564 1 992 . 1 1 84 84 SER HB2 H 1 3.82 0.03 . 2 . . . . 258 . . . 5564 1 993 . 1 1 84 84 SER HB3 H 1 3.76 0.03 . 2 . . . . 258 . . . 5564 1 994 . 1 1 84 84 SER N N 15 119.87 0.02 . 1 . . . . 258 . . . 5564 1 995 . 1 1 85 85 ILE C C 13 177.20 0.10 . 1 . . . . 259 . . . 5564 1 996 . 1 1 85 85 ILE CA C 13 60.53 0.10 . 1 . . . . 259 . . . 5564 1 997 . 1 1 85 85 ILE CB C 13 38.00 0.10 . 1 . . . . 259 . . . 5564 1 998 . 1 1 85 85 ILE CD1 C 13 15.20 0.10 . 1 . . . . 259 . . . 5564 1 999 . 1 1 85 85 ILE CG1 C 13 27.38 0.10 . 1 . . . . 259 . . . 5564 1 1000 . 1 1 85 85 ILE CG2 C 13 18.94 0.10 . 1 . . . . 259 . . . 5564 1 1001 . 1 1 85 85 ILE H H 1 8.58 0.03 . 1 . . . . 259 . . . 5564 1 1002 . 1 1 85 85 ILE HA H 1 4.85 0.03 . 1 . . . . 259 . . . 5564 1 1003 . 1 1 85 85 ILE HB H 1 2.32 0.03 . 1 . . . . 259 . . . 5564 1 1004 . 1 1 85 85 ILE HD11 H 1 0.76 0.03 . 1 . . . . 259 . . . 5564 1 1005 . 1 1 85 85 ILE HD12 H 1 0.76 0.03 . 1 . . . . 259 . . . 5564 1 1006 . 1 1 85 85 ILE HD13 H 1 0.76 0.03 . 1 . . . . 259 . . . 5564 1 1007 . 1 1 85 85 ILE HG12 H 1 1.04 0.03 . 2 . . . . 259 . . . 5564 1 1008 . 1 1 85 85 ILE HG13 H 1 0.76 0.03 . 2 . . . . 259 . . . 5564 1 1009 . 1 1 85 85 ILE HG21 H 1 0.98 0.03 . 1 . . . . 259 . . . 5564 1 1010 . 1 1 85 85 ILE HG22 H 1 0.98 0.03 . 1 . . . . 259 . . . 5564 1 1011 . 1 1 85 85 ILE HG23 H 1 0.98 0.03 . 1 . . . . 259 . . . 5564 1 1012 . 1 1 85 85 ILE N N 15 120.23 0.02 . 1 . . . . 259 . . . 5564 1 1013 . 1 1 86 86 SER C C 13 173.35 0.10 . 1 . . . . 260 . . . 5564 1 1014 . 1 1 86 86 SER CA C 13 59.65 0.10 . 1 . . . . 260 . . . 5564 1 1015 . 1 1 86 86 SER CB C 13 64.08 0.10 . 1 . . . . 260 . . . 5564 1 1016 . 1 1 86 86 SER H H 1 8.16 0.03 . 1 . . . . 260 . . . 5564 1 1017 . 1 1 86 86 SER HA H 1 4.23 0.03 . 1 . . . . 260 . . . 5564 1 1018 . 1 1 86 86 SER HB2 H 1 3.97 0.03 . 2 . . . . 260 . . . 5564 1 1019 . 1 1 86 86 SER HB3 H 1 3.63 0.03 . 2 . . . . 260 . . . 5564 1 1020 . 1 1 86 86 SER N N 15 122.41 0.02 . 1 . . . . 260 . . . 5564 1 1021 . 1 1 87 87 HIS CA C 13 56.83 0.10 . 1 . . . . 261 . . . 5564 1 1022 . 1 1 87 87 HIS CB C 13 31.12 0.10 . 1 . . . . 261 . . . 5564 1 1023 . 1 1 87 87 HIS CE1 C 13 137.76 0.10 . 1 . . . . 261 . . . 5564 1 1024 . 1 1 87 87 HIS H H 1 9.49 0.03 . 1 . . . . 261 . . . 5564 1 1025 . 1 1 87 87 HIS HA H 1 4.42 0.03 . 1 . . . . 261 . . . 5564 1 1026 . 1 1 87 87 HIS HB2 H 1 2.76 0.03 . 2 . . . . 261 . . . 5564 1 1027 . 1 1 87 87 HIS HB3 H 1 2.70 0.03 . 2 . . . . 261 . . . 5564 1 1028 . 1 1 87 87 HIS HE1 H 1 7.76 0.03 . 1 . . . . 261 . . . 5564 1 1029 . 1 1 87 87 HIS N N 15 127.02 0.02 . 1 . . . . 261 . . . 5564 1 1030 . 1 1 88 88 PRO C C 13 177.49 0.10 . 1 . . . . 262 . . . 5564 1 1031 . 1 1 88 88 PRO CA C 13 64.45 0.10 . 1 . . . . 262 . . . 5564 1 1032 . 1 1 88 88 PRO CB C 13 32.21 0.10 . 1 . . . . 262 . . . 5564 1 1033 . 1 1 88 88 PRO CD C 13 50.53 0.10 . 1 . . . . 262 . . . 5564 1 1034 . 1 1 88 88 PRO CG C 13 27.15 0.10 . 1 . . . . 262 . . . 5564 1 1035 . 1 1 88 88 PRO HA H 1 4.22 0.03 . 1 . . . . 262 . . . 5564 1 1036 . 1 1 88 88 PRO HB2 H 1 2.14 0.03 . 2 . . . . 262 . . . 5564 1 1037 . 1 1 88 88 PRO HB3 H 1 1.83 0.03 . 2 . . . . 262 . . . 5564 1 1038 . 1 1 88 88 PRO HD2 H 1 3.30 0.03 . 1 . . . . 262 . . . 5564 1 1039 . 1 1 88 88 PRO HD3 H 1 2.14 0.03 . 1 . . . . 262 . . . 5564 1 1040 . 1 1 88 88 PRO HG2 H 1 1.72 0.03 . 2 . . . . 262 . . . 5564 1 1041 . 1 1 88 88 PRO HG3 H 1 1.58 0.03 . 2 . . . . 262 . . . 5564 1 1042 . 1 1 89 89 ASP C C 13 176.37 0.10 . 1 . . . . 263 . . . 5564 1 1043 . 1 1 89 89 ASP CA C 13 53.15 0.10 . 1 . . . . 263 . . . 5564 1 1044 . 1 1 89 89 ASP CB C 13 38.82 0.10 . 1 . . . . 263 . . . 5564 1 1045 . 1 1 89 89 ASP H H 1 10.35 0.03 . 1 . . . . 263 . . . 5564 1 1046 . 1 1 89 89 ASP HA H 1 4.82 0.03 . 1 . . . . 263 . . . 5564 1 1047 . 1 1 89 89 ASP HB2 H 1 2.80 0.03 . 1 . . . . 263 . . . 5564 1 1048 . 1 1 89 89 ASP HB3 H 1 2.80 0.03 . 1 . . . . 263 . . . 5564 1 1049 . 1 1 89 89 ASP N N 15 124.56 0.02 . 1 . . . . 263 . . . 5564 1 1050 . 1 1 90 90 LEU C C 13 178.90 0.10 . 1 . . . . 264 . . . 5564 1 1051 . 1 1 90 90 LEU CA C 13 57.10 0.10 . 1 . . . . 264 . . . 5564 1 1052 . 1 1 90 90 LEU CB C 13 41.59 0.10 . 1 . . . . 264 . . . 5564 1 1053 . 1 1 90 90 LEU CD1 C 13 24.50 0.10 . 1 . . . . 264 . . . 5564 1 1054 . 1 1 90 90 LEU CD2 C 13 23.71 0.10 . 1 . . . . 264 . . . 5564 1 1055 . 1 1 90 90 LEU CG C 13 26.93 0.10 . 1 . . . . 264 . . . 5564 1 1056 . 1 1 90 90 LEU H H 1 8.00 0.03 . 1 . . . . 264 . . . 5564 1 1057 . 1 1 90 90 LEU HA H 1 4.24 0.03 . 1 . . . . 264 . . . 5564 1 1058 . 1 1 90 90 LEU HB2 H 1 1.63 0.03 . 2 . . . . 264 . . . 5564 1 1059 . 1 1 90 90 LEU HB3 H 1 1.58 0.03 . 2 . . . . 264 . . . 5564 1 1060 . 1 1 90 90 LEU HD11 H 1 0.89 0.03 . 1 . . . . 264 . . . 5564 1 1061 . 1 1 90 90 LEU HD12 H 1 0.89 0.03 . 1 . . . . 264 . . . 5564 1 1062 . 1 1 90 90 LEU HD13 H 1 0.89 0.03 . 1 . . . . 264 . . . 5564 1 1063 . 1 1 90 90 LEU HD21 H 1 0.85 0.03 . 1 . . . . 264 . . . 5564 1 1064 . 1 1 90 90 LEU HD22 H 1 0.85 0.03 . 1 . . . . 264 . . . 5564 1 1065 . 1 1 90 90 LEU HD23 H 1 0.85 0.03 . 1 . . . . 264 . . . 5564 1 1066 . 1 1 90 90 LEU HG H 1 1.58 0.03 . 1 . . . . 264 . . . 5564 1 1067 . 1 1 90 90 LEU N N 15 128.28 0.02 . 1 . . . . 264 . . . 5564 1 1068 . 1 1 91 91 GLY C C 13 174.89 0.10 . 1 . . . . 265 . . . 5564 1 1069 . 1 1 91 91 GLY CA C 13 45.62 0.10 . 1 . . . . 265 . . . 5564 1 1070 . 1 1 91 91 GLY H H 1 8.92 0.03 . 1 . . . . 265 . . . 5564 1 1071 . 1 1 91 91 GLY HA2 H 1 4.22 0.03 . 2 . . . . 265 . . . 5564 1 1072 . 1 1 91 91 GLY HA3 H 1 3.67 0.03 . 2 . . . . 265 . . . 5564 1 1073 . 1 1 91 91 GLY N N 15 113.09 0.02 . 1 . . . . 265 . . . 5564 1 1074 . 1 1 92 92 SER C C 13 175.09 0.10 . 1 . . . . 266 . . . 5564 1 1075 . 1 1 92 92 SER CA C 13 60.01 0.10 . 1 . . . . 266 . . . 5564 1 1076 . 1 1 92 92 SER CB C 13 64.30 0.10 . 1 . . . . 266 . . . 5564 1 1077 . 1 1 92 92 SER H H 1 7.98 0.03 . 1 . . . . 266 . . . 5564 1 1078 . 1 1 92 92 SER HA H 1 4.11 0.03 . 1 . . . . 266 . . . 5564 1 1079 . 1 1 92 92 SER HB2 H 1 3.83 0.03 . 2 . . . . 266 . . . 5564 1 1080 . 1 1 92 92 SER HB3 H 1 3.72 0.03 . 2 . . . . 266 . . . 5564 1 1081 . 1 1 92 92 SER N N 15 115.98 0.02 . 1 . . . . 266 . . . 5564 1 1082 . 1 1 93 93 ARG C C 13 175.67 0.10 . 1 . . . . 267 . . . 5564 1 1083 . 1 1 93 93 ARG CA C 13 56.45 0.10 . 1 . . . . 267 . . . 5564 1 1084 . 1 1 93 93 ARG CB C 13 26.23 0.10 . 1 . . . . 267 . . . 5564 1 1085 . 1 1 93 93 ARG CD C 13 42.10 0.10 . 1 . . . . 267 . . . 5564 1 1086 . 1 1 93 93 ARG CG C 13 26.34 0.10 . 1 . . . . 267 . . . 5564 1 1087 . 1 1 93 93 ARG H H 1 8.51 0.03 . 1 . . . . 267 . . . 5564 1 1088 . 1 1 93 93 ARG HA H 1 3.94 0.03 . 1 . . . . 267 . . . 5564 1 1089 . 1 1 93 93 ARG HB2 H 1 2.09 0.03 . 2 . . . . 267 . . . 5564 1 1090 . 1 1 93 93 ARG HB3 H 1 2.05 0.03 . 2 . . . . 267 . . . 5564 1 1091 . 1 1 93 93 ARG HD2 H 1 3.16 0.03 . 2 . . . . 267 . . . 5564 1 1092 . 1 1 93 93 ARG HD3 H 1 2.99 0.03 . 2 . . . . 267 . . . 5564 1 1093 . 1 1 93 93 ARG HG2 H 1 1.62 0.03 . 2 . . . . 267 . . . 5564 1 1094 . 1 1 93 93 ARG HG3 H 1 1.32 0.03 . 2 . . . . 267 . . . 5564 1 1095 . 1 1 93 93 ARG N N 15 116.69 0.02 . 1 . . . . 267 . . . 5564 1 1096 . 1 1 94 94 LYS C C 13 176.70 0.10 . 1 . . . . 268 . . . 5564 1 1097 . 1 1 94 94 LYS CA C 13 56.39 0.10 . 1 . . . . 268 . . . 5564 1 1098 . 1 1 94 94 LYS CB C 13 34.26 0.10 . 1 . . . . 268 . . . 5564 1 1099 . 1 1 94 94 LYS CD C 13 29.28 0.10 . 1 . . . . 268 . . . 5564 1 1100 . 1 1 94 94 LYS CE C 13 42.71 0.10 . 1 . . . . 268 . . . 5564 1 1101 . 1 1 94 94 LYS CG C 13 25.61 0.10 . 1 . . . . 268 . . . 5564 1 1102 . 1 1 94 94 LYS H H 1 7.68 0.03 . 1 . . . . 268 . . . 5564 1 1103 . 1 1 94 94 LYS HA H 1 4.23 0.03 . 1 . . . . 268 . . . 5564 1 1104 . 1 1 94 94 LYS HB2 H 1 0.83 0.03 . 2 . . . . 268 . . . 5564 1 1105 . 1 1 94 94 LYS HB3 H 1 1.35 0.03 . 2 . . . . 268 . . . 5564 1 1106 . 1 1 94 94 LYS HD2 H 1 1.16 0.03 . 2 . . . . 268 . . . 5564 1 1107 . 1 1 94 94 LYS HD3 H 1 1.04 0.03 . 2 . . . . 268 . . . 5564 1 1108 . 1 1 94 94 LYS HE2 H 1 2.74 0.03 . 2 . . . . 268 . . . 5564 1 1109 . 1 1 94 94 LYS HE3 H 1 2.71 0.03 . 2 . . . . 268 . . . 5564 1 1110 . 1 1 94 94 LYS HG2 H 1 1.10 0.03 . 1 . . . . 268 . . . 5564 1 1111 . 1 1 94 94 LYS HG3 H 1 1.10 0.03 . 1 . . . . 268 . . . 5564 1 1112 . 1 1 94 94 LYS N N 15 120.75 0.02 . 1 . . . . 268 . . . 5564 1 1113 . 1 1 95 95 TRP C C 13 178.37 0.10 . 1 . . . . 269 . . . 5564 1 1114 . 1 1 95 95 TRP CA C 13 57.71 0.10 . 1 . . . . 269 . . . 5564 1 1115 . 1 1 95 95 TRP CB C 13 29.05 0.10 . 1 . . . . 269 . . . 5564 1 1116 . 1 1 95 95 TRP NE1 N 15 129.59 0.02 . 1 . . . . 269 . . . 5564 1 1117 . 1 1 95 95 TRP CE3 C 13 120.70 0.10 . 4 . . . . 269 . . . 5564 1 1118 . 1 1 95 95 TRP CZ2 C 13 114.04 0.10 . 1 . . . . 269 . . . 5564 1 1119 . 1 1 95 95 TRP CH2 C 13 124.46 0.10 . 4 . . . . 269 . . . 5564 1 1120 . 1 1 95 95 TRP CZ3 C 13 121.01 0.10 . 4 . . . . 269 . . . 5564 1 1121 . 1 1 95 95 TRP H H 1 8.97 0.03 . 1 . . . . 269 . . . 5564 1 1122 . 1 1 95 95 TRP HA H 1 4.73 0.03 . 1 . . . . 269 . . . 5564 1 1123 . 1 1 95 95 TRP HB2 H 1 3.04 0.03 . 2 . . . . 269 . . . 5564 1 1124 . 1 1 95 95 TRP HB3 H 1 3.53 0.03 . 2 . . . . 269 . . . 5564 1 1125 . 1 1 95 95 TRP HE1 H 1 9.86 0.03 . 1 . . . . 269 . . . 5564 1 1126 . 1 1 95 95 TRP HE3 H 1 7.54 0.03 . 2 . . . . 269 . . . 5564 1 1127 . 1 1 95 95 TRP HZ2 H 1 7.37 0.03 . 1 . . . . 269 . . . 5564 1 1128 . 1 1 95 95 TRP HH2 H 1 7.08 0.03 . 4 . . . . 269 . . . 5564 1 1129 . 1 1 95 95 TRP HZ3 H 1 7.00 0.03 . 4 . . . . 269 . . . 5564 1 1130 . 1 1 95 95 TRP N N 15 123.74 0.02 . 1 . . . . 269 . . . 5564 1 1131 . 1 1 96 96 GLY C C 13 171.89 0.10 . 1 . . . . 270 . . . 5564 1 1132 . 1 1 96 96 GLY CA C 13 44.16 0.10 . 1 . . . . 270 . . . 5564 1 1133 . 1 1 96 96 GLY H H 1 8.53 0.03 . 1 . . . . 270 . . . 5564 1 1134 . 1 1 96 96 GLY HA2 H 1 4.39 0.03 . 2 . . . . 270 . . . 5564 1 1135 . 1 1 96 96 GLY HA3 H 1 4.16 0.03 . 2 . . . . 270 . . . 5564 1 1136 . 1 1 96 96 GLY N N 15 108.60 0.02 . 1 . . . . 270 . . . 5564 1 1137 . 1 1 97 97 ASN C C 13 174.44 0.10 . 1 . . . . 271 . . . 5564 1 1138 . 1 1 97 97 ASN CA C 13 50.85 0.10 . 1 . . . . 271 . . . 5564 1 1139 . 1 1 97 97 ASN CB C 13 38.29 0.10 . 1 . . . . 271 . . . 5564 1 1140 . 1 1 97 97 ASN H H 1 8.43 0.03 . 1 . . . . 271 . . . 5564 1 1141 . 1 1 97 97 ASN HA H 1 5.18 0.03 . 1 . . . . 271 . . . 5564 1 1142 . 1 1 97 97 ASN HB2 H 1 2.80 0.03 . 2 . . . . 271 . . . 5564 1 1143 . 1 1 97 97 ASN HB3 H 1 2.61 0.03 . 2 . . . . 271 . . . 5564 1 1144 . 1 1 97 97 ASN N N 15 116.23 0.02 . 1 . . . . 271 . . . 5564 1 1145 . 1 1 98 98 PRO C C 13 177.36 0.10 . 1 . . . . 272 . . . 5564 1 1146 . 1 1 98 98 PRO CA C 13 62.89 0.10 . 1 . . . . 272 . . . 5564 1 1147 . 1 1 98 98 PRO CB C 13 32.15 0.10 . 1 . . . . 272 . . . 5564 1 1148 . 1 1 98 98 PRO CD C 13 50.60 0.10 . 1 . . . . 272 . . . 5564 1 1149 . 1 1 98 98 PRO CG C 13 27.88 0.10 . 1 . . . . 272 . . . 5564 1 1150 . 1 1 98 98 PRO HA H 1 4.84 0.03 . 1 . . . . 272 . . . 5564 1 1151 . 1 1 98 98 PRO HB2 H 1 1.59 0.03 . 2 . . . . 272 . . . 5564 1 1152 . 1 1 98 98 PRO HB3 H 1 2.03 0.03 . 2 . . . . 272 . . . 5564 1 1153 . 1 1 98 98 PRO HD2 H 1 3.94 0.03 . 1 . . . . 272 . . . 5564 1 1154 . 1 1 98 98 PRO HD3 H 1 3.66 0.03 . 1 . . . . 272 . . . 5564 1 1155 . 1 1 98 98 PRO HG2 H 1 1.91 0.03 . 2 . . . . 272 . . . 5564 1 1156 . 1 1 98 98 PRO HG3 H 1 2.05 0.03 . 2 . . . . 272 . . . 5564 1 1157 . 1 1 99 99 VAL C C 13 175.00 0.10 . 1 . . . . 273 . . . 5564 1 1158 . 1 1 99 99 VAL CA C 13 59.98 0.10 . 1 . . . . 273 . . . 5564 1 1159 . 1 1 99 99 VAL CB C 13 34.92 0.10 . 1 . . . . 273 . . . 5564 1 1160 . 1 1 99 99 VAL CG1 C 13 21.05 0.10 . 1 . . . . 273 . . . 5564 1 1161 . 1 1 99 99 VAL CG2 C 13 20.34 0.10 . 1 . . . . 273 . . . 5564 1 1162 . 1 1 99 99 VAL H H 1 9.19 0.03 . 1 . . . . 273 . . . 5564 1 1163 . 1 1 99 99 VAL HA H 1 4.55 0.03 . 1 . . . . 273 . . . 5564 1 1164 . 1 1 99 99 VAL HB H 1 2.04 0.03 . 1 . . . . 273 . . . 5564 1 1165 . 1 1 99 99 VAL HG11 H 1 0.98 0.03 . 1 . . . . 273 . . . 5564 1 1166 . 1 1 99 99 VAL HG12 H 1 0.98 0.03 . 1 . . . . 273 . . . 5564 1 1167 . 1 1 99 99 VAL HG13 H 1 0.98 0.03 . 1 . . . . 273 . . . 5564 1 1168 . 1 1 99 99 VAL HG21 H 1 0.97 0.03 . 1 . . . . 273 . . . 5564 1 1169 . 1 1 99 99 VAL HG22 H 1 0.97 0.03 . 1 . . . . 273 . . . 5564 1 1170 . 1 1 99 99 VAL HG23 H 1 0.97 0.03 . 1 . . . . 273 . . . 5564 1 1171 . 1 1 99 99 VAL N N 15 120.98 0.02 . 1 . . . . 273 . . . 5564 1 1172 . 1 1 100 100 GLU C C 13 176.76 0.10 . 1 . . . . 274 . . . 5564 1 1173 . 1 1 100 100 GLU CA C 13 56.11 0.10 . 1 . . . . 274 . . . 5564 1 1174 . 1 1 100 100 GLU CB C 13 30.11 0.10 . 1 . . . . 274 . . . 5564 1 1175 . 1 1 100 100 GLU CG C 13 36.24 0.10 . 1 . . . . 274 . . . 5564 1 1176 . 1 1 100 100 GLU H H 1 8.56 0.03 . 1 . . . . 274 . . . 5564 1 1177 . 1 1 100 100 GLU HA H 1 4.54 0.03 . 1 . . . . 274 . . . 5564 1 1178 . 1 1 100 100 GLU HB2 H 1 1.96 0.03 . 2 . . . . 274 . . . 5564 1 1179 . 1 1 100 100 GLU HB3 H 1 1.79 0.03 . 2 . . . . 274 . . . 5564 1 1180 . 1 1 100 100 GLU HG2 H 1 2.43 0.03 . 2 . . . . 274 . . . 5564 1 1181 . 1 1 100 100 GLU HG3 H 1 1.96 0.03 . 2 . . . . 274 . . . 5564 1 1182 . 1 1 100 100 GLU N N 15 124.49 0.02 . 1 . . . . 274 . . . 5564 1 1183 . 1 1 101 101 LEU C C 13 175.51 0.10 . 1 . . . . 275 . . . 5564 1 1184 . 1 1 101 101 LEU CA C 13 53.84 0.10 . 1 . . . . 275 . . . 5564 1 1185 . 1 1 101 101 LEU CB C 13 45.55 0.10 . 1 . . . . 275 . . . 5564 1 1186 . 1 1 101 101 LEU CD1 C 13 26.29 0.10 . 1 . . . . 275 . . . 5564 1 1187 . 1 1 101 101 LEU CD2 C 13 22.53 0.10 . 1 . . . . 275 . . . 5564 1 1188 . 1 1 101 101 LEU CG C 13 26.42 0.10 . 1 . . . . 275 . . . 5564 1 1189 . 1 1 101 101 LEU H H 1 8.65 0.03 . 1 . . . . 275 . . . 5564 1 1190 . 1 1 101 101 LEU HA H 1 4.54 0.03 . 1 . . . . 275 . . . 5564 1 1191 . 1 1 101 101 LEU HB2 H 1 1.69 0.03 . 2 . . . . 275 . . . 5564 1 1192 . 1 1 101 101 LEU HB3 H 1 1.24 0.03 . 2 . . . . 275 . . . 5564 1 1193 . 1 1 101 101 LEU HD11 H 1 0.76 0.03 . 1 . . . . 275 . . . 5564 1 1194 . 1 1 101 101 LEU HD12 H 1 0.76 0.03 . 1 . . . . 275 . . . 5564 1 1195 . 1 1 101 101 LEU HD13 H 1 0.76 0.03 . 1 . . . . 275 . . . 5564 1 1196 . 1 1 101 101 LEU HD21 H 1 0.87 0.03 . 1 . . . . 275 . . . 5564 1 1197 . 1 1 101 101 LEU HD22 H 1 0.87 0.03 . 1 . . . . 275 . . . 5564 1 1198 . 1 1 101 101 LEU HD23 H 1 0.87 0.03 . 1 . . . . 275 . . . 5564 1 1199 . 1 1 101 101 LEU HG H 1 1.67 0.03 . 1 . . . . 275 . . . 5564 1 1200 . 1 1 101 101 LEU N N 15 124.62 0.02 . 1 . . . . 275 . . . 5564 1 1201 . 1 1 102 102 ALA C C 13 175.91 0.10 . 1 . . . . 276 . . . 5564 1 1202 . 1 1 102 102 ALA CA C 13 50.09 0.10 . 1 . . . . 276 . . . 5564 1 1203 . 1 1 102 102 ALA CB C 13 22.50 0.10 . 1 . . . . 276 . . . 5564 1 1204 . 1 1 102 102 ALA H H 1 8.99 0.03 . 1 . . . . 276 . . . 5564 1 1205 . 1 1 102 102 ALA HA H 1 4.61 0.03 . 1 . . . . 276 . . . 5564 1 1206 . 1 1 102 102 ALA HB1 H 1 1.35 0.03 . 1 . . . . 276 . . . 5564 1 1207 . 1 1 102 102 ALA HB2 H 1 1.35 0.03 . 1 . . . . 276 . . . 5564 1 1208 . 1 1 102 102 ALA HB3 H 1 1.35 0.03 . 1 . . . . 276 . . . 5564 1 1209 . 1 1 102 102 ALA N N 15 126.36 0.02 . 1 . . . . 276 . . . 5564 1 1210 . 1 1 103 103 SER C C 13 175.85 0.10 . 1 . . . . 277 . . . 5564 1 1211 . 1 1 103 103 SER CA C 13 61.68 0.10 . 1 . . . . 277 . . . 5564 1 1212 . 1 1 103 103 SER CB C 13 63.40 0.10 . 1 . . . . 277 . . . 5564 1 1213 . 1 1 103 103 SER H H 1 8.57 0.03 . 1 . . . . 277 . . . 5564 1 1214 . 1 1 103 103 SER HA H 1 3.83 0.03 . 1 . . . . 277 . . . 5564 1 1215 . 1 1 103 103 SER HB2 H 1 3.99 0.03 . 2 . . . . 277 . . . 5564 1 1216 . 1 1 103 103 SER HB3 H 1 3.93 0.03 . 2 . . . . 277 . . . 5564 1 1217 . 1 1 103 103 SER N N 15 114.44 0.02 . 1 . . . . 277 . . . 5564 1 1218 . 1 1 104 104 ASP C C 13 174.43 0.10 . 1 . . . . 278 . . . 5564 1 1219 . 1 1 104 104 ASP CA C 13 57.23 0.10 . 1 . . . . 278 . . . 5564 1 1220 . 1 1 104 104 ASP CB C 13 39.02 0.10 . 1 . . . . 278 . . . 5564 1 1221 . 1 1 104 104 ASP H H 1 9.33 0.03 . 1 . . . . 278 . . . 5564 1 1222 . 1 1 104 104 ASP HA H 1 4.23 0.03 . 1 . . . . 278 . . . 5564 1 1223 . 1 1 104 104 ASP HB2 H 1 3.31 0.03 . 2 . . . . 278 . . . 5564 1 1224 . 1 1 104 104 ASP HB3 H 1 3.01 0.03 . 2 . . . . 278 . . . 5564 1 1225 . 1 1 104 104 ASP N N 15 120.79 0.02 . 1 . . . . 278 . . . 5564 1 1226 . 1 1 105 105 ASP C C 13 174.57 0.10 . 1 . . . . 279 . . . 5564 1 1227 . 1 1 105 105 ASP CA C 13 55.60 0.10 . 1 . . . . 279 . . . 5564 1 1228 . 1 1 105 105 ASP CB C 13 41.90 0.10 . 1 . . . . 279 . . . 5564 1 1229 . 1 1 105 105 ASP H H 1 7.61 0.03 . 1 . . . . 279 . . . 5564 1 1230 . 1 1 105 105 ASP HA H 1 4.79 0.03 . 1 . . . . 279 . . . 5564 1 1231 . 1 1 105 105 ASP HB2 H 1 2.63 0.03 . 2 . . . . 279 . . . 5564 1 1232 . 1 1 105 105 ASP HB3 H 1 2.14 0.03 . 2 . . . . 279 . . . 5564 1 1233 . 1 1 105 105 ASP N N 15 120.73 0.02 . 1 . . . . 279 . . . 5564 1 1234 . 1 1 106 106 ILE C C 13 177.29 0.10 . 1 . . . . 280 . . . 5564 1 1235 . 1 1 106 106 ILE CA C 13 59.40 0.10 . 1 . . . . 280 . . . 5564 1 1236 . 1 1 106 106 ILE CB C 13 39.87 0.10 . 1 . . . . 280 . . . 5564 1 1237 . 1 1 106 106 ILE CD1 C 13 12.71 0.10 . 1 . . . . 280 . . . 5564 1 1238 . 1 1 106 106 ILE CG1 C 13 28.30 0.10 . 1 . . . . 280 . . . 5564 1 1239 . 1 1 106 106 ILE CG2 C 13 17.84 0.10 . 1 . . . . 280 . . . 5564 1 1240 . 1 1 106 106 ILE H H 1 7.87 0.03 . 1 . . . . 280 . . . 5564 1 1241 . 1 1 106 106 ILE HA H 1 4.83 0.03 . 1 . . . . 280 . . . 5564 1 1242 . 1 1 106 106 ILE HB H 1 1.70 0.03 . 1 . . . . 280 . . . 5564 1 1243 . 1 1 106 106 ILE HD11 H 1 0.85 0.03 . 1 . . . . 280 . . . 5564 1 1244 . 1 1 106 106 ILE HD12 H 1 0.85 0.03 . 1 . . . . 280 . . . 5564 1 1245 . 1 1 106 106 ILE HD13 H 1 0.85 0.03 . 1 . . . . 280 . . . 5564 1 1246 . 1 1 106 106 ILE HG12 H 1 1.62 0.03 . 2 . . . . 280 . . . 5564 1 1247 . 1 1 106 106 ILE HG13 H 1 1.02 0.03 . 2 . . . . 280 . . . 5564 1 1248 . 1 1 106 106 ILE HG21 H 1 0.64 0.03 . 1 . . . . 280 . . . 5564 1 1249 . 1 1 106 106 ILE HG22 H 1 0.64 0.03 . 1 . . . . 280 . . . 5564 1 1250 . 1 1 106 106 ILE HG23 H 1 0.64 0.03 . 1 . . . . 280 . . . 5564 1 1251 . 1 1 106 106 ILE N N 15 115.50 0.02 . 1 . . . . 280 . . . 5564 1 1252 . 1 1 107 107 ILE C C 13 176.35 0.10 . 1 . . . . 281 . . . 5564 1 1253 . 1 1 107 107 ILE CA C 13 59.49 0.10 . 1 . . . . 281 . . . 5564 1 1254 . 1 1 107 107 ILE CB C 13 40.89 0.10 . 1 . . . . 281 . . . 5564 1 1255 . 1 1 107 107 ILE CD1 C 13 14.18 0.10 . 1 . . . . 281 . . . 5564 1 1256 . 1 1 107 107 ILE CG1 C 13 25.98 0.10 . 1 . . . . 281 . . . 5564 1 1257 . 1 1 107 107 ILE CG2 C 13 18.28 0.10 . 1 . . . . 281 . . . 5564 1 1258 . 1 1 107 107 ILE H H 1 9.78 0.03 . 1 . . . . 281 . . . 5564 1 1259 . 1 1 107 107 ILE HA H 1 4.90 0.03 . 1 . . . . 281 . . . 5564 1 1260 . 1 1 107 107 ILE HB H 1 1.57 0.03 . 1 . . . . 281 . . . 5564 1 1261 . 1 1 107 107 ILE HD11 H 1 0.57 0.03 . 1 . . . . 281 . . . 5564 1 1262 . 1 1 107 107 ILE HD12 H 1 0.57 0.03 . 1 . . . . 281 . . . 5564 1 1263 . 1 1 107 107 ILE HD13 H 1 0.57 0.03 . 1 . . . . 281 . . . 5564 1 1264 . 1 1 107 107 ILE HG12 H 1 1.53 0.03 . 1 . . . . 281 . . . 5564 1 1265 . 1 1 107 107 ILE HG13 H 1 1.53 0.03 . 1 . . . . 281 . . . 5564 1 1266 . 1 1 107 107 ILE HG21 H 1 0.64 0.03 . 1 . . . . 281 . . . 5564 1 1267 . 1 1 107 107 ILE HG22 H 1 0.64 0.03 . 1 . . . . 281 . . . 5564 1 1268 . 1 1 107 107 ILE HG23 H 1 0.64 0.03 . 1 . . . . 281 . . . 5564 1 1269 . 1 1 107 107 ILE N N 15 132.95 0.02 . 1 . . . . 281 . . . 5564 1 1270 . 1 1 108 108 THR C C 13 173.62 0.10 . 1 . . . . 282 . . . 5564 1 1271 . 1 1 108 108 THR CA C 13 61.67 0.10 . 1 . . . . 282 . . . 5564 1 1272 . 1 1 108 108 THR CB C 13 69.36 0.10 . 1 . . . . 282 . . . 5564 1 1273 . 1 1 108 108 THR CG2 C 13 20.26 0.10 . 1 . . . . 282 . . . 5564 1 1274 . 1 1 108 108 THR H H 1 9.37 0.03 . 1 . . . . 282 . . . 5564 1 1275 . 1 1 108 108 THR HA H 1 5.13 0.03 . 1 . . . . 282 . . . 5564 1 1276 . 1 1 108 108 THR HB H 1 3.74 0.03 . 1 . . . . 282 . . . 5564 1 1277 . 1 1 108 108 THR HG21 H 1 0.82 0.03 . 1 . . . . 282 . . . 5564 1 1278 . 1 1 108 108 THR HG22 H 1 0.82 0.03 . 1 . . . . 282 . . . 5564 1 1279 . 1 1 108 108 THR HG23 H 1 0.82 0.03 . 1 . . . . 282 . . . 5564 1 1280 . 1 1 108 108 THR N N 15 125.70 0.02 . 1 . . . . 282 . . . 5564 1 1281 . 1 1 109 109 LEU C C 13 174.84 0.10 . 1 . . . . 283 . . . 5564 1 1282 . 1 1 109 109 LEU CA C 13 55.04 0.10 . 1 . . . . 283 . . . 5564 1 1283 . 1 1 109 109 LEU CB C 13 41.59 0.10 . 1 . . . . 283 . . . 5564 1 1284 . 1 1 109 109 LEU CD1 C 13 27.66 0.10 . 1 . . . . 283 . . . 5564 1 1285 . 1 1 109 109 LEU CD2 C 13 26.73 0.10 . 1 . . . . 283 . . . 5564 1 1286 . 1 1 109 109 LEU CG C 13 26.86 0.10 . 1 . . . . 283 . . . 5564 1 1287 . 1 1 109 109 LEU H H 1 8.36 0.03 . 1 . . . . 283 . . . 5564 1 1288 . 1 1 109 109 LEU HA H 1 4.60 0.03 . 1 . . . . 283 . . . 5564 1 1289 . 1 1 109 109 LEU HB2 H 1 0.22 0.03 . 2 . . . . 283 . . . 5564 1 1290 . 1 1 109 109 LEU HB3 H 1 1.11 0.03 . 2 . . . . 283 . . . 5564 1 1291 . 1 1 109 109 LEU HD11 H 1 0.53 0.03 . 1 . . . . 283 . . . 5564 1 1292 . 1 1 109 109 LEU HD12 H 1 0.53 0.03 . 1 . . . . 283 . . . 5564 1 1293 . 1 1 109 109 LEU HD13 H 1 0.53 0.03 . 1 . . . . 283 . . . 5564 1 1294 . 1 1 109 109 LEU HD21 H 1 0.41 0.03 . 1 . . . . 283 . . . 5564 1 1295 . 1 1 109 109 LEU HD22 H 1 0.41 0.03 . 1 . . . . 283 . . . 5564 1 1296 . 1 1 109 109 LEU HD23 H 1 0.41 0.03 . 1 . . . . 283 . . . 5564 1 1297 . 1 1 109 109 LEU HG H 1 1.15 0.03 . 1 . . . . 283 . . . 5564 1 1298 . 1 1 109 109 LEU N N 15 128.11 0.02 . 1 . . . . 283 . . . 5564 1 1299 . 1 1 110 110 GLY C C 13 172.36 0.10 . 1 . . . . 284 . . . 5564 1 1300 . 1 1 110 110 GLY CA C 13 45.55 0.10 . 1 . . . . 284 . . . 5564 1 1301 . 1 1 110 110 GLY H H 1 8.31 0.03 . 1 . . . . 284 . . . 5564 1 1302 . 1 1 110 110 GLY HA2 H 1 3.92 0.03 . 2 . . . . 284 . . . 5564 1 1303 . 1 1 110 110 GLY HA3 H 1 3.27 0.03 . 2 . . . . 284 . . . 5564 1 1304 . 1 1 110 110 GLY N N 15 112.18 0.02 . 1 . . . . 284 . . . 5564 1 1305 . 1 1 111 111 THR C C 13 175.83 0.10 . 1 . . . . 285 . . . 5564 1 1306 . 1 1 111 111 THR CA C 13 62.70 0.10 . 1 . . . . 285 . . . 5564 1 1307 . 1 1 111 111 THR CB C 13 70.52 0.10 . 1 . . . . 285 . . . 5564 1 1308 . 1 1 111 111 THR CG2 C 13 21.65 0.10 . 1 . . . . 285 . . . 5564 1 1309 . 1 1 111 111 THR H H 1 8.06 0.03 . 1 . . . . 285 . . . 5564 1 1310 . 1 1 111 111 THR HA H 1 4.45 0.03 . 1 . . . . 285 . . . 5564 1 1311 . 1 1 111 111 THR HB H 1 4.12 0.03 . 1 . . . . 285 . . . 5564 1 1312 . 1 1 111 111 THR HG21 H 1 1.10 0.03 . 1 . . . . 285 . . . 5564 1 1313 . 1 1 111 111 THR HG22 H 1 1.10 0.03 . 1 . . . . 285 . . . 5564 1 1314 . 1 1 111 111 THR HG23 H 1 1.10 0.03 . 1 . . . . 285 . . . 5564 1 1315 . 1 1 111 111 THR N N 15 114.40 0.02 . 1 . . . . 285 . . . 5564 1 1316 . 1 1 112 112 THR C C 13 174.59 0.10 . 1 . . . . 286 . . . 5564 1 1317 . 1 1 112 112 THR CA C 13 64.78 0.10 . 1 . . . . 286 . . . 5564 1 1318 . 1 1 112 112 THR CB C 13 68.61 0.10 . 1 . . . . 286 . . . 5564 1 1319 . 1 1 112 112 THR CG2 C 13 21.43 0.10 . 1 . . . . 286 . . . 5564 1 1320 . 1 1 112 112 THR H H 1 9.28 0.03 . 1 . . . . 286 . . . 5564 1 1321 . 1 1 112 112 THR HA H 1 4.21 0.03 . 1 . . . . 286 . . . 5564 1 1322 . 1 1 112 112 THR HB H 1 4.01 0.03 . 1 . . . . 286 . . . 5564 1 1323 . 1 1 112 112 THR HG21 H 1 1.09 0.03 . 1 . . . . 286 . . . 5564 1 1324 . 1 1 112 112 THR HG22 H 1 1.09 0.03 . 1 . . . . 286 . . . 5564 1 1325 . 1 1 112 112 THR HG23 H 1 1.09 0.03 . 1 . . . . 286 . . . 5564 1 1326 . 1 1 112 112 THR N N 15 119.86 0.02 . 1 . . . . 286 . . . 5564 1 1327 . 1 1 113 113 THR C C 13 173.62 0.10 . 1 . . . . 287 . . . 5564 1 1328 . 1 1 113 113 THR CA C 13 65.30 0.10 . 1 . . . . 287 . . . 5564 1 1329 . 1 1 113 113 THR CB C 13 68.66 0.10 . 1 . . . . 287 . . . 5564 1 1330 . 1 1 113 113 THR CG2 C 13 23.48 0.10 . 1 . . . . 287 . . . 5564 1 1331 . 1 1 113 113 THR H H 1 7.86 0.03 . 1 . . . . 287 . . . 5564 1 1332 . 1 1 113 113 THR HA H 1 4.27 0.03 . 1 . . . . 287 . . . 5564 1 1333 . 1 1 113 113 THR HB H 1 4.02 0.03 . 1 . . . . 287 . . . 5564 1 1334 . 1 1 113 113 THR HG21 H 1 1.21 0.03 . 1 . . . . 287 . . . 5564 1 1335 . 1 1 113 113 THR HG22 H 1 1.21 0.03 . 1 . . . . 287 . . . 5564 1 1336 . 1 1 113 113 THR HG23 H 1 1.21 0.03 . 1 . . . . 287 . . . 5564 1 1337 . 1 1 113 113 THR N N 15 120.55 0.02 . 1 . . . . 287 . . . 5564 1 1338 . 1 1 114 114 LYS C C 13 175.68 0.10 . 1 . . . . 288 . . . 5564 1 1339 . 1 1 114 114 LYS CA C 13 54.33 0.10 . 1 . . . . 288 . . . 5564 1 1340 . 1 1 114 114 LYS CB C 13 37.26 0.10 . 1 . . . . 288 . . . 5564 1 1341 . 1 1 114 114 LYS CD C 13 29.35 0.10 . 1 . . . . 288 . . . 5564 1 1342 . 1 1 114 114 LYS CE C 13 42.39 0.10 . 1 . . . . 288 . . . 5564 1 1343 . 1 1 114 114 LYS CG C 13 25.17 0.10 . 1 . . . . 288 . . . 5564 1 1344 . 1 1 114 114 LYS H H 1 7.64 0.03 . 1 . . . . 288 . . . 5564 1 1345 . 1 1 114 114 LYS HA H 1 5.58 0.03 . 1 . . . . 288 . . . 5564 1 1346 . 1 1 114 114 LYS HB2 H 1 1.41 0.03 . 2 . . . . 288 . . . 5564 1 1347 . 1 1 114 114 LYS HB3 H 1 1.36 0.03 . 2 . . . . 288 . . . 5564 1 1348 . 1 1 114 114 LYS HD2 H 1 1.15 0.03 . 2 . . . . 288 . . . 5564 1 1349 . 1 1 114 114 LYS HD3 H 1 1.05 0.03 . 2 . . . . 288 . . . 5564 1 1350 . 1 1 114 114 LYS HE2 H 1 2.76 0.03 . 2 . . . . 288 . . . 5564 1 1351 . 1 1 114 114 LYS HE3 H 1 2.72 0.03 . 2 . . . . 288 . . . 5564 1 1352 . 1 1 114 114 LYS HG2 H 1 1.18 0.03 . 5 . . . . 288 . . . 5564 1 1353 . 1 1 114 114 LYS HG3 H 1 1.44 0.03 . 5 . . . . 288 . . . 5564 1 1354 . 1 1 114 114 LYS N N 15 125.03 0.02 . 1 . . . . 288 . . . 5564 1 1355 . 1 1 115 115 VAL C C 13 173.18 0.10 . 1 . . . . 289 . . . 5564 1 1356 . 1 1 115 115 VAL CA C 13 60.57 0.10 . 1 . . . . 289 . . . 5564 1 1357 . 1 1 115 115 VAL CB C 13 35.39 0.10 . 1 . . . . 289 . . . 5564 1 1358 . 1 1 115 115 VAL CG1 C 13 22.83 0.10 . 1 . . . . 289 . . . 5564 1 1359 . 1 1 115 115 VAL CG2 C 13 21.77 0.10 . 1 . . . . 289 . . . 5564 1 1360 . 1 1 115 115 VAL H H 1 9.71 0.03 . 1 . . . . 289 . . . 5564 1 1361 . 1 1 115 115 VAL HA H 1 4.68 0.03 . 1 . . . . 289 . . . 5564 1 1362 . 1 1 115 115 VAL HB H 1 1.79 0.03 . 1 . . . . 289 . . . 5564 1 1363 . 1 1 115 115 VAL HG11 H 1 0.67 0.03 . 1 . . . . 289 . . . 5564 1 1364 . 1 1 115 115 VAL HG12 H 1 0.67 0.03 . 1 . . . . 289 . . . 5564 1 1365 . 1 1 115 115 VAL HG13 H 1 0.67 0.03 . 1 . . . . 289 . . . 5564 1 1366 . 1 1 115 115 VAL HG21 H 1 0.64 0.03 . 1 . . . . 289 . . . 5564 1 1367 . 1 1 115 115 VAL HG22 H 1 0.64 0.03 . 1 . . . . 289 . . . 5564 1 1368 . 1 1 115 115 VAL HG23 H 1 0.64 0.03 . 1 . . . . 289 . . . 5564 1 1369 . 1 1 115 115 VAL N N 15 123.98 0.02 . 1 . . . . 289 . . . 5564 1 1370 . 1 1 116 116 TYR C C 13 174.44 0.10 . 1 . . . . 290 . . . 5564 1 1371 . 1 1 116 116 TYR CA C 13 57.85 0.10 . 1 . . . . 290 . . . 5564 1 1372 . 1 1 116 116 TYR CB C 13 41.84 0.10 . 1 . . . . 290 . . . 5564 1 1373 . 1 1 116 116 TYR CD1 C 13 132.56 0.10 . 3 . . . . 290 . . . 5564 1 1374 . 1 1 116 116 TYR CE1 C 13 117.75 0.10 . 3 . . . . 290 . . . 5564 1 1375 . 1 1 116 116 TYR H H 1 9.79 0.03 . 1 . . . . 290 . . . 5564 1 1376 . 1 1 116 116 TYR HA H 1 4.69 0.03 . 1 . . . . 290 . . . 5564 1 1377 . 1 1 116 116 TYR HB2 H 1 2.84 0.03 . 2 . . . . 290 . . . 5564 1 1378 . 1 1 116 116 TYR HB3 H 1 3.05 0.03 . 2 . . . . 290 . . . 5564 1 1379 . 1 1 116 116 TYR HD1 H 1 6.86 0.03 . 3 . . . . 290 . . . 5564 1 1380 . 1 1 116 116 TYR HE1 H 1 6.76 0.03 . 1 . . . . 290 . . . 5564 1 1381 . 1 1 116 116 TYR N N 15 131.70 0.02 . 1 . . . . 290 . . . 5564 1 1382 . 1 1 117 117 VAL C C 13 173.85 0.10 . 1 . . . . 291 . . . 5564 1 1383 . 1 1 117 117 VAL CA C 13 61.58 0.10 . 1 . . . . 291 . . . 5564 1 1384 . 1 1 117 117 VAL CB C 13 33.89 0.10 . 1 . . . . 291 . . . 5564 1 1385 . 1 1 117 117 VAL CG1 C 13 21.94 0.10 . 1 . . . . 291 . . . 5564 1 1386 . 1 1 117 117 VAL CG2 C 13 21.52 0.10 . 1 . . . . 291 . . . 5564 1 1387 . 1 1 117 117 VAL H H 1 8.10 0.03 . 1 . . . . 291 . . . 5564 1 1388 . 1 1 117 117 VAL HA H 1 4.44 0.03 . 1 . . . . 291 . . . 5564 1 1389 . 1 1 117 117 VAL HB H 1 2.09 0.03 . 1 . . . . 291 . . . 5564 1 1390 . 1 1 117 117 VAL HG11 H 1 0.62 0.03 . 1 . . . . 291 . . . 5564 1 1391 . 1 1 117 117 VAL HG12 H 1 0.62 0.03 . 1 . . . . 291 . . . 5564 1 1392 . 1 1 117 117 VAL HG13 H 1 0.62 0.03 . 1 . . . . 291 . . . 5564 1 1393 . 1 1 117 117 VAL HG21 H 1 0.71 0.03 . 1 . . . . 291 . . . 5564 1 1394 . 1 1 117 117 VAL HG22 H 1 0.71 0.03 . 1 . . . . 291 . . . 5564 1 1395 . 1 1 117 117 VAL HG23 H 1 0.71 0.03 . 1 . . . . 291 . . . 5564 1 1396 . 1 1 117 117 VAL N N 15 129.89 0.02 . 1 . . . . 291 . . . 5564 1 1397 . 1 1 118 118 ARG C C 13 173.97 0.10 . 1 . . . . 292 . . . 5564 1 1398 . 1 1 118 118 ARG CA C 13 55.58 0.10 . 1 . . . . 292 . . . 5564 1 1399 . 1 1 118 118 ARG CB C 13 33.97 0.10 . 1 . . . . 292 . . . 5564 1 1400 . 1 1 118 118 ARG CD C 13 43.42 0.10 . 1 . . . . 292 . . . 5564 1 1401 . 1 1 118 118 ARG CG C 13 28.87 0.10 . 1 . . . . 292 . . . 5564 1 1402 . 1 1 118 118 ARG H H 1 9.02 0.03 . 1 . . . . 292 . . . 5564 1 1403 . 1 1 118 118 ARG HA H 1 4.83 0.03 . 1 . . . . 292 . . . 5564 1 1404 . 1 1 118 118 ARG HB2 H 1 1.87 0.03 . 2 . . . . 292 . . . 5564 1 1405 . 1 1 118 118 ARG HB3 H 1 1.74 0.03 . 2 . . . . 292 . . . 5564 1 1406 . 1 1 118 118 ARG HD2 H 1 3.09 0.03 . 2 . . . . 292 . . . 5564 1 1407 . 1 1 118 118 ARG HD3 H 1 3.05 0.03 . 2 . . . . 292 . . . 5564 1 1408 . 1 1 118 118 ARG HG2 H 1 1.60 0.03 . 1 . . . . 292 . . . 5564 1 1409 . 1 1 118 118 ARG HG3 H 1 1.60 0.03 . 1 . . . . 292 . . . 5564 1 1410 . 1 1 118 118 ARG N N 15 127.01 0.02 . 1 . . . . 292 . . . 5564 1 1411 . 1 1 119 119 ILE C C 13 176.44 0.10 . 1 . . . . 293 . . . 5564 1 1412 . 1 1 119 119 ILE CA C 13 59.79 0.10 . 1 . . . . 293 . . . 5564 1 1413 . 1 1 119 119 ILE CB C 13 42.83 0.10 . 1 . . . . 293 . . . 5564 1 1414 . 1 1 119 119 ILE CD1 C 13 14.69 0.10 . 1 . . . . 293 . . . 5564 1 1415 . 1 1 119 119 ILE CG1 C 13 28.93 0.10 . 1 . . . . 293 . . . 5564 1 1416 . 1 1 119 119 ILE CG2 C 13 17.77 0.10 . 1 . . . . 293 . . . 5564 1 1417 . 1 1 119 119 ILE H H 1 8.31 0.03 . 1 . . . . 293 . . . 5564 1 1418 . 1 1 119 119 ILE HA H 1 5.32 0.03 . 1 . . . . 293 . . . 5564 1 1419 . 1 1 119 119 ILE HB H 1 1.47 0.03 . 1 . . . . 293 . . . 5564 1 1420 . 1 1 119 119 ILE HD11 H 1 0.75 0.03 . 1 . . . . 293 . . . 5564 1 1421 . 1 1 119 119 ILE HD12 H 1 0.75 0.03 . 1 . . . . 293 . . . 5564 1 1422 . 1 1 119 119 ILE HD13 H 1 0.75 0.03 . 1 . . . . 293 . . . 5564 1 1423 . 1 1 119 119 ILE HG12 H 1 1.27 0.03 . 2 . . . . 293 . . . 5564 1 1424 . 1 1 119 119 ILE HG13 H 1 0.81 0.03 . 2 . . . . 293 . . . 5564 1 1425 . 1 1 119 119 ILE HG21 H 1 1.16 0.03 . 1 . . . . 293 . . . 5564 1 1426 . 1 1 119 119 ILE HG22 H 1 1.16 0.03 . 1 . . . . 293 . . . 5564 1 1427 . 1 1 119 119 ILE HG23 H 1 1.16 0.03 . 1 . . . . 293 . . . 5564 1 1428 . 1 1 119 119 ILE N N 15 125.08 0.02 . 1 . . . . 293 . . . 5564 1 1429 . 1 1 120 120 SER C C 13 173.62 0.10 . 1 . . . . 294 . . . 5564 1 1430 . 1 1 120 120 SER CA C 13 56.99 0.10 . 1 . . . . 294 . . . 5564 1 1431 . 1 1 120 120 SER CB C 13 66.03 0.10 . 1 . . . . 294 . . . 5564 1 1432 . 1 1 120 120 SER H H 1 9.29 0.03 . 1 . . . . 294 . . . 5564 1 1433 . 1 1 120 120 SER HA H 1 5.03 0.03 . 1 . . . . 294 . . . 5564 1 1434 . 1 1 120 120 SER HB2 H 1 3.96 0.03 . 1 . . . . 294 . . . 5564 1 1435 . 1 1 120 120 SER HB3 H 1 3.96 0.03 . 1 . . . . 294 . . . 5564 1 1436 . 1 1 120 120 SER N N 15 123.13 0.02 . 1 . . . . 294 . . . 5564 1 1437 . 1 1 121 121 SER C C 13 173.88 0.10 . 1 . . . . 295 . . . 5564 1 1438 . 1 1 121 121 SER CA C 13 58.39 0.10 . 1 . . . . 295 . . . 5564 1 1439 . 1 1 121 121 SER CB C 13 64.71 0.10 . 1 . . . . 295 . . . 5564 1 1440 . 1 1 121 121 SER H H 1 8.90 0.03 . 1 . . . . 295 . . . 5564 1 1441 . 1 1 121 121 SER HA H 1 5.06 0.03 . 1 . . . . 295 . . . 5564 1 1442 . 1 1 121 121 SER HB2 H 1 4.02 0.03 . 1 . . . . 295 . . . 5564 1 1443 . 1 1 121 121 SER HB3 H 1 4.02 0.03 . 1 . . . . 295 . . . 5564 1 1444 . 1 1 121 121 SER N N 15 119.89 0.02 . 1 . . . . 295 . . . 5564 1 1445 . 1 1 122 122 GLN C C 13 174.95 0.10 . 1 . . . . 296 . . . 5564 1 1446 . 1 1 122 122 GLN CA C 13 55.51 0.10 . 1 . . . . 296 . . . 5564 1 1447 . 1 1 122 122 GLN CB C 13 30.41 0.10 . 1 . . . . 296 . . . 5564 1 1448 . 1 1 122 122 GLN CG C 13 33.67 0.10 . 1 . . . . 296 . . . 5564 1 1449 . 1 1 122 122 GLN H H 1 8.58 0.03 . 1 . . . . 296 . . . 5564 1 1450 . 1 1 122 122 GLN HA H 1 4.56 0.03 . 1 . . . . 296 . . . 5564 1 1451 . 1 1 122 122 GLN HB2 H 1 2.12 0.03 . 2 . . . . 296 . . . 5564 1 1452 . 1 1 122 122 GLN HB3 H 1 1.98 0.03 . 2 . . . . 296 . . . 5564 1 1453 . 1 1 122 122 GLN HG2 H 1 2.31 0.03 . 1 . . . . 296 . . . 5564 1 1454 . 1 1 122 122 GLN HG3 H 1 2.31 0.03 . 1 . . . . 296 . . . 5564 1 1455 . 1 1 122 122 GLN N N 15 122.69 0.02 . 1 . . . . 296 . . . 5564 1 1456 . 1 1 123 123 ASN C C 13 173.87 0.10 . 1 . . . . 297 . . . 5564 1 1457 . 1 1 123 123 ASN CA C 13 53.47 0.10 . 1 . . . . 297 . . . 5564 1 1458 . 1 1 123 123 ASN CB C 13 38.95 0.10 . 1 . . . . 297 . . . 5564 1 1459 . 1 1 123 123 ASN H H 1 8.61 0.03 . 1 . . . . 297 . . . 5564 1 1460 . 1 1 123 123 ASN HA H 1 4.64 0.03 . 1 . . . . 297 . . . 5564 1 1461 . 1 1 123 123 ASN HB2 H 1 2.63 0.03 . 2 . . . . 297 . . . 5564 1 1462 . 1 1 123 123 ASN HB3 H 1 2.41 0.03 . 2 . . . . 297 . . . 5564 1 1463 . 1 1 123 123 ASN N N 15 122.19 0.02 . 1 . . . . 297 . . . 5564 1 1464 . 1 1 124 124 GLU CA C 13 58.05 0.10 . 1 . . . . 298 . . . 5564 1 1465 . 1 1 124 124 GLU CB C 13 31.40 0.10 . 1 . . . . 298 . . . 5564 1 1466 . 1 1 124 124 GLU CG C 13 36.38 0.10 . 1 . . . . 298 . . . 5564 1 1467 . 1 1 124 124 GLU H H 1 7.83 0.03 . 1 . . . . 298 . . . 5564 1 1468 . 1 1 124 124 GLU HA H 1 4.08 0.03 . 1 . . . . 298 . . . 5564 1 1469 . 1 1 124 124 GLU HB2 H 1 1.97 0.03 . 2 . . . . 298 . . . 5564 1 1470 . 1 1 124 124 GLU HB3 H 1 1.80 0.03 . 2 . . . . 298 . . . 5564 1 1471 . 1 1 124 124 GLU HG2 H 1 2.10 0.03 . 1 . . . . 298 . . . 5564 1 1472 . 1 1 124 124 GLU HG3 H 1 2.10 0.03 . 1 . . . . 298 . . . 5564 1 1473 . 1 1 124 124 GLU N N 15 125.94 0.02 . 1 . . . . 298 . . . 5564 1 1474 . 1 1 126 126 GLN C C 13 178.35 0.10 . 1 . . . . 300 . . . 5564 1 1475 . 1 1 126 126 GLN CA C 13 55.88 0.10 . 1 . . . . 300 . . . 5564 1 1476 . 1 1 126 126 GLN CB C 13 24.78 0.10 . 1 . . . . 300 . . . 5564 1 1477 . 1 1 126 126 GLN CG C 13 33.35 0.10 . 1 . . . . 300 . . . 5564 1 1478 . 1 1 126 126 GLN HA H 1 3.81 0.03 . 1 . . . . 300 . . . 5564 1 1479 . 1 1 126 126 GLN HB2 H 1 1.35 0.03 . 2 . . . . 300 . . . 5564 1 1480 . 1 1 126 126 GLN HB3 H 1 1.31 0.03 . 9 . . . . 300 . . . 5564 1 1481 . 1 1 126 126 GLN HG2 H 1 1.76 0.03 . 2 . . . . 300 . . . 5564 1 1482 . 1 1 126 126 GLN HG3 H 1 1.68 0.03 . 2 . . . . 300 . . . 5564 1 1483 . 1 1 127 127 ILE C C 13 175.82 0.10 . 5 . . . . 301 . . . 5564 1 1484 . 1 1 127 127 ILE CA C 13 61.23 0.10 . 5 . . . . 301 . . . 5564 1 1485 . 1 1 127 127 ILE CB C 13 38.75 0.10 . 5 . . . . 301 . . . 5564 1 1486 . 1 1 127 127 ILE CD1 C 13 12.66 0.10 . 5 . . . . 301 . . . 5564 1 1487 . 1 1 127 127 ILE CG1 C 13 27.20 0.10 . 5 . . . . 301 . . . 5564 1 1488 . 1 1 127 127 ILE CG2 C 13 17.27 0.10 . 5 . . . . 301 . . . 5564 1 1489 . 1 1 127 127 ILE HA H 1 1.79 0.03 . 5 . . . . 301 . . . 5564 1 1490 . 1 1 127 127 ILE HD11 H 1 0.80 0.03 . 5 . . . . 301 . . . 5564 1 1491 . 1 1 127 127 ILE HD12 H 1 0.80 0.03 . 5 . . . . 301 . . . 5564 1 1492 . 1 1 127 127 ILE HD13 H 1 0.80 0.03 . 5 . . . . 301 . . . 5564 1 1493 . 1 1 127 127 ILE HG12 H 1 1.12 0.03 . 5 . . . . 301 . . . 5564 1 1494 . 1 1 127 127 ILE HG13 H 1 1.42 0.03 . 5 . . . . 301 . . . 5564 1 1495 . 1 1 127 127 ILE HG21 H 1 0.83 0.03 . 5 . . . . 301 . . . 5564 1 1496 . 1 1 127 127 ILE HG22 H 1 0.83 0.03 . 5 . . . . 301 . . . 5564 1 1497 . 1 1 127 127 ILE HG23 H 1 0.83 0.03 . 5 . . . . 301 . . . 5564 1 1498 . 1 1 130 130 LYS C C 13 172.09 0.10 . 1 . . . . 304 . . . 5564 1 1499 . 1 1 130 130 LYS CA C 13 56.25 0.10 . 1 . . . . 304 . . . 5564 1 1500 . 1 1 130 130 LYS CB C 13 34.17 0.10 . 1 . . . . 304 . . . 5564 1 1501 . 1 1 130 130 LYS CD C 13 29.23 0.10 . 1 . . . . 304 . . . 5564 1 1502 . 1 1 130 130 LYS CE C 13 42.20 0.10 . 1 . . . . 304 . . . 5564 1 1503 . 1 1 130 130 LYS CG C 13 29.30 0.10 . 1 . . . . 304 . . . 5564 1 1504 . 1 1 130 130 LYS HA H 1 4.23 0.03 . 1 . . . . 304 . . . 5564 1 1505 . 1 1 130 130 LYS HB2 H 1 1.37 0.03 . 2 . . . . 304 . . . 5564 1 1506 . 1 1 130 130 LYS HD2 H 1 1.16 0.03 . 1 . . . . 304 . . . 5564 1 1507 . 1 1 130 130 LYS HD3 H 1 1.16 0.03 . 1 . . . . 304 . . . 5564 1 1508 . 1 1 130 130 LYS HE2 H 1 2.71 0.03 . 2 . . . . 304 . . . 5564 1 1509 . 1 1 130 130 LYS HE3 H 1 2.76 0.03 . 2 . . . . 304 . . . 5564 1 1510 . 1 1 130 130 LYS HG2 H 1 1.05 0.03 . 1 . . . . 304 . . . 5564 1 1511 . 1 1 130 130 LYS HG3 H 1 1.05 0.03 . 1 . . . . 304 . . . 5564 1 1512 . 1 1 132 132 GLY CA C 13 44.35 0.10 . 1 . . . . 306 . . . 5564 1 1513 . 1 1 132 132 GLY HA2 H 1 3.48 0.03 . 2 . . . . 306 . . . 5564 1 1514 . 1 1 133 133 VAL CA C 13 61.27 0.10 . 1 . . . . 307 . . . 5564 1 1515 . 1 1 133 133 VAL CB C 13 32.85 0.10 . 1 . . . . 307 . . . 5564 1 1516 . 1 1 133 133 VAL CG1 C 13 19.32 0.10 . 1 . . . . 307 . . . 5564 1 1517 . 1 1 133 133 VAL CG2 C 13 20.20 0.10 . 1 . . . . 307 . . . 5564 1 1518 . 1 1 133 133 VAL HA H 1 3.72 0.03 . 1 . . . . 307 . . . 5564 1 1519 . 1 1 133 133 VAL HB H 1 2.11 0.03 . 1 . . . . 307 . . . 5564 1 1520 . 1 1 133 133 VAL HG11 H 1 0.91 0.03 . 1 . . . . 307 . . . 5564 1 1521 . 1 1 133 133 VAL HG12 H 1 0.91 0.03 . 1 . . . . 307 . . . 5564 1 1522 . 1 1 133 133 VAL HG13 H 1 0.91 0.03 . 1 . . . . 307 . . . 5564 1 1523 . 1 1 133 133 VAL HG21 H 1 0.96 0.03 . 1 . . . . 307 . . . 5564 1 1524 . 1 1 133 133 VAL HG22 H 1 0.96 0.03 . 1 . . . . 307 . . . 5564 1 1525 . 1 1 133 133 VAL HG23 H 1 0.96 0.03 . 1 . . . . 307 . . . 5564 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 71 5564 1 1 70 5564 1 1 61 5564 1 1 60 5564 1 1 58 5564 1 2 707 5564 1 2 705 5564 1 2 702 5564 1 2 697 5564 1 2 695 5564 1 2 694 5564 1 2 692 5564 1 3 803 5564 1 3 801 5564 1 3 793 5564 1 3 791 5564 1 3 790 5564 1 4 1129 5564 1 4 1128 5564 1 4 1120 5564 1 4 1119 5564 1 4 1117 5564 1 5 1497 5564 1 5 1496 5564 1 5 1495 5564 1 5 1494 5564 1 5 1493 5564 1 5 1492 5564 1 5 1491 5564 1 5 1490 5564 1 5 1489 5564 1 5 1353 5564 1 5 1352 5564 1 5 749 5564 1 5 748 5564 1 5 116 5564 1 stop_ save_