data_5971 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5971 _Entry.Title ; Letter to the Editor: Backbone and side chain resonance assignments of domain III of tick-borne Langat flavivirus Envelope protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-14 _Entry.Accession_date 2003-10-14 _Entry.Last_release_date 2004-07-28 _Entry.Original_release_date 2004-07-28 _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 Munia Mukherjee . . . 5971 2 Kaushik Dutta . . . 5971 3 Steven Pascal . M. . 5971 4 Robert Fox . O. . 5971 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5971 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 5971 '1H chemical shifts' 591 5971 '15N chemical shifts' 114 5971 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 . . 2004-07-28 2003-10-14 original author . 5971 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5971 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15243186 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone and side chain resonance assignments of domain III of tick-borne Langat flavivirus Envelope protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 4 _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 535 _Citation.Page_last 536 _Citation.Year 2004 _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 Munia Mukherjee . . . 5971 1 2 Kaushik Dutta . . . 5971 1 3 Steven Pascal . M. . 5971 1 4 Robert Fox . O. . 5971 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Flavivirus 5971 1 Langat 5971 1 'Domain III' 5971 1 NMR 5971 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LGT-E-D3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LGT-E-D3 _Assembly.Entry_ID 5971 _Assembly.ID 1 _Assembly.Name 'Domain III of the E protein of Langat flavivirus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 5971 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 'LGT-E-D3 monomer' 1 $LGT-E-D3 . . . native . . . . . 5971 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 5971 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Domain III of the E protein of Langat flavivirus' system 5971 1 LGT-E-D3 abbreviation 5971 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Receptor Binding Domain' 5971 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LGT-E-D3 _Entity.Sf_category entity _Entity.Sf_framecode LGT-E-D3 _Entity.Entry_ID 5971 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Langat E-D3' _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 ; GSEFGSKGLTYTVCDKTKFT WKRAPTDSGHDTVVMEVGFS GTRPCRIPVRAVAHGVPEVN VAMLITPNPTMENNGGGFIE MQLPPGDNIIYVGDLNHQWF QKGSSIGR ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11164 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 6800 . LGT-E-D3 . . . . . 94.44 102 100.00 100.00 1.86e-69 . . . . 5971 1 2 no PDB 1Z66 . "Nmr Solution Structure Of Domain Iii Of E-Protein Of Tick- Borne Langat Flavivirus (No Rdc Restraints)" . . . . . 88.89 96 100.00 100.00 6.22e-65 . . . . 5971 1 3 no PDB 2GG1 . "Nmr Solution Structure Of Domain Iii Of The E-Protein Of Tick-Borne Langat Flavivirus (Includes Rdc Restraints)" . . . . . 94.44 102 100.00 100.00 1.86e-69 . . . . 5971 1 4 no GB AAA02740 . "structural polyprotein, partial [Langat virus]" . . . . . 94.44 761 100.00 100.00 2.36e-64 . . . . 5971 1 5 no GB AAF75259 . "polyprotein [Langat virus]" . . . . . 94.44 3414 100.00 100.00 6.26e-63 . . . . 5971 1 6 no GB AAF75260 . "polyprotein [Langat virus]" . . . . . 94.44 3414 99.02 100.00 2.03e-62 . . . . 5971 1 7 no GB ABH10022 . "envelope protein [Langat virus]" . . . . . 94.44 496 99.02 100.00 2.25e-65 . . . . 5971 1 8 no GB ACH42698 . "polyprotein [Langat virus]" . . . . . 94.44 3414 100.00 100.00 6.51e-63 . . . . 5971 1 9 no REF NP_620108 . "polyprotein [Langat virus]" . . . . . 94.44 3414 100.00 100.00 6.26e-63 . . . . 5971 1 10 no REF NP_740295 . "envelope membrane-associated glycoprotein [Langat virus]" . . . . . 94.44 499 100.00 100.00 5.77e-66 . . . . 5971 1 11 no SP P29837 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Peptide 2k; Contains: RecName: Full=Capsid protein C; AltName: Full=C" . . . . . 94.44 3414 100.00 100.00 5.91e-63 . . . . 5971 1 12 no SP P29838 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 94.44 776 100.00 100.00 2.15e-64 . . . . 5971 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Langat E-D3' common 5971 1 LGT-E-D3 abbreviation 5971 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 -6 GLY . 5971 1 2 -5 SER . 5971 1 3 -4 GLU . 5971 1 4 -3 PHE . 5971 1 5 -2 GLY . 5971 1 6 -1 SER . 5971 1 7 300 LYS . 5971 1 8 301 GLY . 5971 1 9 302 LEU . 5971 1 10 303 THR . 5971 1 11 304 TYR . 5971 1 12 305 THR . 5971 1 13 306 VAL . 5971 1 14 307 CYS . 5971 1 15 308 ASP . 5971 1 16 309 LYS . 5971 1 17 310 THR . 5971 1 18 311 LYS . 5971 1 19 312 PHE . 5971 1 20 313 THR . 5971 1 21 314 TRP . 5971 1 22 315 LYS . 5971 1 23 316 ARG . 5971 1 24 317 ALA . 5971 1 25 318 PRO . 5971 1 26 319 THR . 5971 1 27 320 ASP . 5971 1 28 321 SER . 5971 1 29 322 GLY . 5971 1 30 323 HIS . 5971 1 31 324 ASP . 5971 1 32 325 THR . 5971 1 33 326 VAL . 5971 1 34 327 VAL . 5971 1 35 328 MET . 5971 1 36 329 GLU . 5971 1 37 330 VAL . 5971 1 38 331 GLY . 5971 1 39 332 PHE . 5971 1 40 333 SER . 5971 1 41 334 GLY . 5971 1 42 335 THR . 5971 1 43 336 ARG . 5971 1 44 337 PRO . 5971 1 45 338 CYS . 5971 1 46 339 ARG . 5971 1 47 340 ILE . 5971 1 48 341 PRO . 5971 1 49 342 VAL . 5971 1 50 343 ARG . 5971 1 51 344 ALA . 5971 1 52 345 VAL . 5971 1 53 346 ALA . 5971 1 54 347 HIS . 5971 1 55 348 GLY . 5971 1 56 349 VAL . 5971 1 57 350 PRO . 5971 1 58 351 GLU . 5971 1 59 352 VAL . 5971 1 60 353 ASN . 5971 1 61 354 VAL . 5971 1 62 355 ALA . 5971 1 63 356 MET . 5971 1 64 357 LEU . 5971 1 65 358 ILE . 5971 1 66 359 THR . 5971 1 67 360 PRO . 5971 1 68 361 ASN . 5971 1 69 362 PRO . 5971 1 70 363 THR . 5971 1 71 364 MET . 5971 1 72 365 GLU . 5971 1 73 366 ASN . 5971 1 74 367 ASN . 5971 1 75 368 GLY . 5971 1 76 369 GLY . 5971 1 77 370 GLY . 5971 1 78 371 PHE . 5971 1 79 372 ILE . 5971 1 80 373 GLU . 5971 1 81 374 MET . 5971 1 82 375 GLN . 5971 1 83 376 LEU . 5971 1 84 377 PRO . 5971 1 85 378 PRO . 5971 1 86 379 GLY . 5971 1 87 380 ASP . 5971 1 88 381 ASN . 5971 1 89 382 ILE . 5971 1 90 383 ILE . 5971 1 91 384 TYR . 5971 1 92 385 VAL . 5971 1 93 386 GLY . 5971 1 94 387 ASP . 5971 1 95 388 LEU . 5971 1 96 389 ASN . 5971 1 97 390 HIS . 5971 1 98 391 GLN . 5971 1 99 392 TRP . 5971 1 100 393 PHE . 5971 1 101 394 GLN . 5971 1 102 395 LYS . 5971 1 103 396 GLY . 5971 1 104 397 SER . 5971 1 105 398 SER . 5971 1 106 399 ILE . 5971 1 107 400 GLY . 5971 1 108 401 ARG . 5971 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 5971 1 . SER 2 2 5971 1 . GLU 3 3 5971 1 . PHE 4 4 5971 1 . GLY 5 5 5971 1 . SER 6 6 5971 1 . LYS 7 7 5971 1 . GLY 8 8 5971 1 . LEU 9 9 5971 1 . THR 10 10 5971 1 . TYR 11 11 5971 1 . THR 12 12 5971 1 . VAL 13 13 5971 1 . CYS 14 14 5971 1 . ASP 15 15 5971 1 . LYS 16 16 5971 1 . THR 17 17 5971 1 . LYS 18 18 5971 1 . PHE 19 19 5971 1 . THR 20 20 5971 1 . TRP 21 21 5971 1 . LYS 22 22 5971 1 . ARG 23 23 5971 1 . ALA 24 24 5971 1 . PRO 25 25 5971 1 . THR 26 26 5971 1 . ASP 27 27 5971 1 . SER 28 28 5971 1 . GLY 29 29 5971 1 . HIS 30 30 5971 1 . ASP 31 31 5971 1 . THR 32 32 5971 1 . VAL 33 33 5971 1 . VAL 34 34 5971 1 . MET 35 35 5971 1 . GLU 36 36 5971 1 . VAL 37 37 5971 1 . GLY 38 38 5971 1 . PHE 39 39 5971 1 . SER 40 40 5971 1 . GLY 41 41 5971 1 . THR 42 42 5971 1 . ARG 43 43 5971 1 . PRO 44 44 5971 1 . CYS 45 45 5971 1 . ARG 46 46 5971 1 . ILE 47 47 5971 1 . PRO 48 48 5971 1 . VAL 49 49 5971 1 . ARG 50 50 5971 1 . ALA 51 51 5971 1 . VAL 52 52 5971 1 . ALA 53 53 5971 1 . HIS 54 54 5971 1 . GLY 55 55 5971 1 . VAL 56 56 5971 1 . PRO 57 57 5971 1 . GLU 58 58 5971 1 . VAL 59 59 5971 1 . ASN 60 60 5971 1 . VAL 61 61 5971 1 . ALA 62 62 5971 1 . MET 63 63 5971 1 . LEU 64 64 5971 1 . ILE 65 65 5971 1 . THR 66 66 5971 1 . PRO 67 67 5971 1 . ASN 68 68 5971 1 . PRO 69 69 5971 1 . THR 70 70 5971 1 . MET 71 71 5971 1 . GLU 72 72 5971 1 . ASN 73 73 5971 1 . ASN 74 74 5971 1 . GLY 75 75 5971 1 . GLY 76 76 5971 1 . GLY 77 77 5971 1 . PHE 78 78 5971 1 . ILE 79 79 5971 1 . GLU 80 80 5971 1 . MET 81 81 5971 1 . GLN 82 82 5971 1 . LEU 83 83 5971 1 . PRO 84 84 5971 1 . PRO 85 85 5971 1 . GLY 86 86 5971 1 . ASP 87 87 5971 1 . ASN 88 88 5971 1 . ILE 89 89 5971 1 . ILE 90 90 5971 1 . TYR 91 91 5971 1 . VAL 92 92 5971 1 . GLY 93 93 5971 1 . ASP 94 94 5971 1 . LEU 95 95 5971 1 . ASN 96 96 5971 1 . HIS 97 97 5971 1 . GLN 98 98 5971 1 . TRP 99 99 5971 1 . PHE 100 100 5971 1 . GLN 101 101 5971 1 . LYS 102 102 5971 1 . GLY 103 103 5971 1 . SER 104 104 5971 1 . SER 105 105 5971 1 . ILE 106 106 5971 1 . GLY 107 107 5971 1 . ARG 108 108 5971 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 5971 _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 $LGT-E-D3 . 11085 . . 'Flavivirus Langat virus' Flaviviridae . . viruses Metazoa Flavivirus 'Langat virus' . . . . . . . . . . . . . . . . . . . . . 5971 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 5971 _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 $LGT-E-D3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21(DE3) Codon Plus' . . . . . . . . . . . . plasmid . . H-MBP-T . . . 'The first six residues (GSEFGS) are a cloning artifact' . . 5971 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5971 _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 'Langat E-D3' '[U-100% 13C; U-100% 15N]' . . 1 $LGT-E-D3 . . 0.7 0.7 0.8 mM . . . . 5971 1 2 Tris . . . . . . . 10 . . mM . . . . 5971 1 3 Bis-Tris . . . . . . . 50 . . mM . . . . 5971 1 4 NaCL . . . . . . . 10 . . mM . . . . 5971 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5971 _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 'Langat E-D3' '[U-99% 15N]' . . 1 $LGT-E-D3 . . 0.8 . . mM . . . . 5971 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5971 _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 6.1 0.1 n/a 5971 1 temperature 298 0.1 K 5971 1 'ionic strength' 0.1 0.02 M 5971 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5971 _Software.ID 1 _Software.Name NMRView _Software.Version 5.04 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5971 _NMR_spectrometer.ID 1 _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 5971 _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 Varian INOVA . 600 . . . 5971 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 5971 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 2 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 6 C(C0)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 7 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 8 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 10 N15-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 11 N15-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 1 12 C13-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5971 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 5971 _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 5971 _NMR_spec_expt.ID 2 _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_ 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 5971 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5971 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _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 5971 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _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 5971 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(C0)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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5971 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHACONH _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 5971 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HC(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 5971 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5971 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name N15-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5971 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name N15-TOCSY-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 5971 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name C13-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_ #################### # 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 5971 _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 . . . . . . . . . 5971 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5971 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5971 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 5971 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _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 $sample_1 . 5971 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 1 1 GLY CA C 13 45.283 0.06 . 1 . . . . -6 . . . 5971 1 2 . 1 1 1 1 GLY HA3 H 1 3.846 0.02 . 2 . . . . -6 . . . 5971 1 3 . 1 1 1 1 GLY HA2 H 1 3.943 0.02 . 2 . . . . -6 . . . 5971 1 4 . 1 1 1 1 GLY C C 13 173.957 0.06 . 1 . . . . -6 . . . 5971 1 5 . 1 1 2 2 SER N N 15 116.103 0.05 . 1 . . . . -5 . . . 5971 1 6 . 1 1 2 2 SER H H 1 8.113 0.02 . 1 . . . . -5 . . . 5971 1 7 . 1 1 2 2 SER CA C 13 58.277 0.06 . 1 . . . . -5 . . . 5971 1 8 . 1 1 2 2 SER HA H 1 4.470 0.02 . 1 . . . . -5 . . . 5971 1 9 . 1 1 2 2 SER CB C 13 63.781 0.06 . 1 . . . . -5 . . . 5971 1 10 . 1 1 2 2 SER HB2 H 1 3.818 0.02 . 2 . . . . -5 . . . 5971 1 11 . 1 1 2 2 SER C C 13 174.454 0.06 . 1 . . . . -5 . . . 5971 1 12 . 1 1 3 3 GLU N N 15 123.300 0.05 . 1 . . . . -4 . . . 5971 1 13 . 1 1 3 3 GLU H H 1 8.744 0.02 . 1 . . . . -4 . . . 5971 1 14 . 1 1 3 3 GLU CA C 13 56.917 0.06 . 1 . . . . -4 . . . 5971 1 15 . 1 1 3 3 GLU HA H 1 4.218 0.02 . 1 . . . . -4 . . . 5971 1 16 . 1 1 3 3 GLU CB C 13 29.880 0.06 . 1 . . . . -4 . . . 5971 1 17 . 1 1 3 3 GLU HB3 H 1 1.813 0.02 . 2 . . . . -4 . . . 5971 1 18 . 1 1 3 3 GLU HB2 H 1 1.891 0.02 . 2 . . . . -4 . . . 5971 1 19 . 1 1 3 3 GLU CG C 13 35.901 0.06 . 1 . . . . -4 . . . 5971 1 20 . 1 1 3 3 GLU HG3 H 1 2.066 0.02 . 2 . . . . -4 . . . 5971 1 21 . 1 1 3 3 GLU HG2 H 1 2.128 0.02 . 2 . . . . -4 . . . 5971 1 22 . 1 1 3 3 GLU C C 13 176.358 0.06 . 1 . . . . -4 . . . 5971 1 23 . 1 1 4 4 PHE N N 15 121.094 0.05 . 1 . . . . -3 . . . 5971 1 24 . 1 1 4 4 PHE H H 1 8.325 0.02 . 1 . . . . -3 . . . 5971 1 25 . 1 1 4 4 PHE CA C 13 58.011 0.06 . 1 . . . . -3 . . . 5971 1 26 . 1 1 4 4 PHE HA H 1 4.601 0.02 . 1 . . . . -3 . . . 5971 1 27 . 1 1 4 4 PHE CB C 13 39.438 0.06 . 1 . . . . -3 . . . 5971 1 28 . 1 1 4 4 PHE HB3 H 1 3.003 0.02 . 2 . . . . -3 . . . 5971 1 29 . 1 1 4 4 PHE HB2 H 1 3.162 0.02 . 2 . . . . -3 . . . 5971 1 30 . 1 1 4 4 PHE C C 13 176.475 0.06 . 1 . . . . -3 . . . 5971 1 31 . 1 1 5 5 GLY N N 15 110.565 0.05 . 1 . . . . -2 . . . 5971 1 32 . 1 1 5 5 GLY H H 1 8.276 0.02 . 1 . . . . -2 . . . 5971 1 33 . 1 1 5 5 GLY CA C 13 45.429 0.06 . 1 . . . . -2 . . . 5971 1 34 . 1 1 5 5 GLY HA3 H 1 3.856 0.02 . 2 . . . . -2 . . . 5971 1 35 . 1 1 5 5 GLY HA2 H 1 3.933 0.02 . 2 . . . . -2 . . . 5971 1 36 . 1 1 5 5 GLY C C 13 174.318 0.06 . 1 . . . . -2 . . . 5971 1 37 . 1 1 6 6 SER N N 15 115.627 0.05 . 1 . . . . -1 . . . 5971 1 38 . 1 1 6 6 SER H H 1 8.147 0.02 . 1 . . . . -1 . . . 5971 1 39 . 1 1 6 6 SER CA C 13 58.463 0.06 . 1 . . . . -1 . . . 5971 1 40 . 1 1 6 6 SER HA H 1 4.425 0.02 . 1 . . . . -1 . . . 5971 1 41 . 1 1 6 6 SER CB C 13 63.773 0.06 . 1 . . . . -1 . . . 5971 1 42 . 1 1 6 6 SER HB2 H 1 3.884 0.02 . 2 . . . . -1 . . . 5971 1 43 . 1 1 6 6 SER C C 13 175.083 0.06 . 1 . . . . -1 . . . 5971 1 44 . 1 1 7 7 LYS N N 15 123.173 0.05 . 1 . . . . 300 . . . 5971 1 45 . 1 1 7 7 LYS H H 1 8.375 0.02 . 1 . . . . 300 . . . 5971 1 46 . 1 1 7 7 LYS CA C 13 56.876 0.06 . 1 . . . . 300 . . . 5971 1 47 . 1 1 7 7 LYS HA H 1 4.242 0.02 . 1 . . . . 300 . . . 5971 1 48 . 1 1 7 7 LYS CB C 13 32.649 0.06 . 1 . . . . 300 . . . 5971 1 49 . 1 1 7 7 LYS HB3 H 1 1.748 0.02 . 2 . . . . 300 . . . 5971 1 50 . 1 1 7 7 LYS HB2 H 1 1.816 0.02 . 2 . . . . 300 . . . 5971 1 51 . 1 1 7 7 LYS CG C 13 24.740 0.06 . 1 . . . . 300 . . . 5971 1 52 . 1 1 7 7 LYS HG2 H 1 1.404 0.02 . 2 . . . . 300 . . . 5971 1 53 . 1 1 7 7 LYS CD C 13 29.078 0.06 . 1 . . . . 300 . . . 5971 1 54 . 1 1 7 7 LYS HD2 H 1 1.654 0.02 . 2 . . . . 300 . . . 5971 1 55 . 1 1 7 7 LYS CE C 13 42.189 0.06 . 1 . . . . 300 . . . 5971 1 56 . 1 1 7 7 LYS HE2 H 1 2.980 0.02 . 2 . . . . 300 . . . 5971 1 57 . 1 1 7 7 LYS C C 13 177.181 0.06 . 1 . . . . 300 . . . 5971 1 58 . 1 1 8 8 GLY N N 15 109.103 0.05 . 1 . . . . 301 . . . 5971 1 59 . 1 1 8 8 GLY H H 1 8.281 0.02 . 1 . . . . 301 . . . 5971 1 60 . 1 1 8 8 GLY CA C 13 45.362 0.06 . 1 . . . . 301 . . . 5971 1 61 . 1 1 8 8 GLY HA3 H 1 3.588 0.02 . 2 . . . . 301 . . . 5971 1 62 . 1 1 8 8 GLY HA2 H 1 3.743 0.02 . 2 . . . . 301 . . . 5971 1 63 . 1 1 8 8 GLY C C 13 174.111 0.06 . 1 . . . . 301 . . . 5971 1 64 . 1 1 9 9 LEU N N 15 121.036 0.05 . 1 . . . . 302 . . . 5971 1 65 . 1 1 9 9 LEU H H 1 7.859 0.02 . 1 . . . . 302 . . . 5971 1 66 . 1 1 9 9 LEU CA C 13 55.377 0.06 . 1 . . . . 302 . . . 5971 1 67 . 1 1 9 9 LEU HA H 1 4.350 0.02 . 1 . . . . 302 . . . 5971 1 68 . 1 1 9 9 LEU CB C 13 42.558 0.06 . 1 . . . . 302 . . . 5971 1 69 . 1 1 9 9 LEU HB3 H 1 1.396 0.02 . 2 . . . . 302 . . . 5971 1 70 . 1 1 9 9 LEU HB2 H 1 1.536 0.02 . 2 . . . . 302 . . . 5971 1 71 . 1 1 9 9 LEU CG C 13 27.097 0.06 . 1 . . . . 302 . . . 5971 1 72 . 1 1 9 9 LEU HG H 1 1.532 0.02 . 1 . . . . 302 . . . 5971 1 73 . 1 1 9 9 LEU CD1 C 13 24.866 0.06 . 2 . . . . 302 . . . 5971 1 74 . 1 1 9 9 LEU HD11 H 1 0.846 0.02 . 2 . . . . 302 . . . 5971 1 75 . 1 1 9 9 LEU HD12 H 1 0.846 0.02 . 2 . . . . 302 . . . 5971 1 76 . 1 1 9 9 LEU HD13 H 1 0.846 0.02 . 2 . . . . 302 . . . 5971 1 77 . 1 1 9 9 LEU CD2 C 13 23.514 0.06 . 2 . . . . 302 . . . 5971 1 78 . 1 1 9 9 LEU C C 13 177.286 0.06 . 1 . . . . 302 . . . 5971 1 79 . 1 1 10 10 THR N N 15 115.260 0.05 . 1 . . . . 303 . . . 5971 1 80 . 1 1 10 10 THR H H 1 8.089 0.02 . 1 . . . . 303 . . . 5971 1 81 . 1 1 10 10 THR CA C 13 61.539 0.06 . 1 . . . . 303 . . . 5971 1 82 . 1 1 10 10 THR HA H 1 4.288 0.02 . 1 . . . . 303 . . . 5971 1 83 . 1 1 10 10 THR CB C 13 69.671 0.06 . 1 . . . . 303 . . . 5971 1 84 . 1 1 10 10 THR HB H 1 4.140 0.02 . 1 . . . . 303 . . . 5971 1 85 . 1 1 10 10 THR CG2 C 13 21.375 0.06 . 1 . . . . 303 . . . 5971 1 86 . 1 1 10 10 THR HG21 H 1 1.107 0.02 . 1 . . . . 303 . . . 5971 1 87 . 1 1 10 10 THR HG22 H 1 1.107 0.02 . 1 . . . . 303 . . . 5971 1 88 . 1 1 10 10 THR HG23 H 1 1.107 0.02 . 1 . . . . 303 . . . 5971 1 89 . 1 1 10 10 THR C C 13 174.235 0.06 . 1 . . . . 303 . . . 5971 1 90 . 1 1 11 11 TYR N N 15 122.209 0.05 . 1 . . . . 304 . . . 5971 1 91 . 1 1 11 11 TYR H H 1 7.924 0.02 . 1 . . . . 304 . . . 5971 1 92 . 1 1 11 11 TYR CA C 13 55.868 0.06 . 1 . . . . 304 . . . 5971 1 93 . 1 1 11 11 TYR HA H 1 4.787 0.02 . 1 . . . . 304 . . . 5971 1 94 . 1 1 11 11 TYR CB C 13 39.614 0.06 . 1 . . . . 304 . . . 5971 1 95 . 1 1 11 11 TYR HB3 H 1 2.805 0.02 . 2 . . . . 304 . . . 5971 1 96 . 1 1 11 11 TYR HB2 H 1 3.081 0.02 . 2 . . . . 304 . . . 5971 1 97 . 1 1 11 11 TYR C C 13 176.413 0.06 . 1 . . . . 304 . . . 5971 1 98 . 1 1 12 12 THR N N 15 115.476 0.05 . 1 . . . . 305 . . . 5971 1 99 . 1 1 12 12 THR H H 1 8.464 0.02 . 1 . . . . 305 . . . 5971 1 100 . 1 1 12 12 THR CA C 13 61.447 0.06 . 1 . . . . 305 . . . 5971 1 101 . 1 1 12 12 THR HA H 1 4.373 0.02 . 1 . . . . 305 . . . 5971 1 102 . 1 1 12 12 THR CB C 13 70.070 0.06 . 1 . . . . 305 . . . 5971 1 103 . 1 1 12 12 THR HB H 1 4.207 0.02 . 1 . . . . 305 . . . 5971 1 104 . 1 1 12 12 THR CG2 C 13 21.712 0.06 . 1 . . . . 305 . . . 5971 1 105 . 1 1 12 12 THR HG21 H 1 1.257 0.02 . 1 . . . . 305 . . . 5971 1 106 . 1 1 12 12 THR HG22 H 1 1.257 0.02 . 1 . . . . 305 . . . 5971 1 107 . 1 1 12 12 THR HG23 H 1 1.257 0.02 . 1 . . . . 305 . . . 5971 1 108 . 1 1 12 12 THR C C 13 173.994 0.06 . 1 . . . . 305 . . . 5971 1 109 . 1 1 13 13 VAL N N 15 124.799 0.05 . 1 . . . . 306 . . . 5971 1 110 . 1 1 13 13 VAL H H 1 8.577 0.02 . 1 . . . . 306 . . . 5971 1 111 . 1 1 13 13 VAL CA C 13 63.005 0.06 . 1 . . . . 306 . . . 5971 1 112 . 1 1 13 13 VAL HA H 1 4.284 0.02 . 1 . . . . 306 . . . 5971 1 113 . 1 1 13 13 VAL CB C 13 32.185 0.06 . 1 . . . . 306 . . . 5971 1 114 . 1 1 13 13 VAL HB H 1 1.999 0.02 . 1 . . . . 306 . . . 5971 1 115 . 1 1 13 13 VAL CG2 C 13 21.022 0.06 . 2 . . . . 306 . . . 5971 1 116 . 1 1 13 13 VAL CG1 C 13 22.149 0.06 . 2 . . . . 306 . . . 5971 1 117 . 1 1 13 13 VAL HG11 H 1 1.056 0.02 . 2 . . . . 306 . . . 5971 1 118 . 1 1 13 13 VAL HG12 H 1 1.056 0.02 . 2 . . . . 306 . . . 5971 1 119 . 1 1 13 13 VAL HG13 H 1 1.056 0.02 . 2 . . . . 306 . . . 5971 1 120 . 1 1 13 13 VAL C C 13 176.615 0.06 . 1 . . . . 306 . . . 5971 1 121 . 1 1 14 14 CYS N N 15 126.906 0.05 . 1 . . . . 307 . . . 5971 1 122 . 1 1 14 14 CYS H H 1 9.284 0.02 . 1 . . . . 307 . . . 5971 1 123 . 1 1 14 14 CYS CA C 13 54.307 0.06 . 1 . . . . 307 . . . 5971 1 124 . 1 1 14 14 CYS HA H 1 4.607 0.02 . 1 . . . . 307 . . . 5971 1 125 . 1 1 14 14 CYS CB C 13 41.019 0.06 . 1 . . . . 307 . . . 5971 1 126 . 1 1 14 14 CYS HB3 H 1 2.178 0.02 . 2 . . . . 307 . . . 5971 1 127 . 1 1 14 14 CYS HB2 H 1 2.845 0.02 . 2 . . . . 307 . . . 5971 1 128 . 1 1 14 14 CYS C C 13 174.679 0.06 . 1 . . . . 307 . . . 5971 1 129 . 1 1 15 15 ASP N N 15 120.451 0.05 . 1 . . . . 308 . . . 5971 1 130 . 1 1 15 15 ASP H H 1 7.943 0.02 . 1 . . . . 308 . . . 5971 1 131 . 1 1 15 15 ASP CA C 13 55.175 0.06 . 1 . . . . 308 . . . 5971 1 132 . 1 1 15 15 ASP HA H 1 4.414 0.02 . 1 . . . . 308 . . . 5971 1 133 . 1 1 15 15 ASP CB C 13 42.044 0.06 . 1 . . . . 308 . . . 5971 1 134 . 1 1 15 15 ASP HB3 H 1 2.721 0.02 . 2 . . . . 308 . . . 5971 1 135 . 1 1 15 15 ASP HB2 H 1 2.849 0.02 . 2 . . . . 308 . . . 5971 1 136 . 1 1 15 15 ASP C C 13 177.440 0.06 . 1 . . . . 308 . . . 5971 1 137 . 1 1 16 16 LYS N N 15 124.861 0.05 . 1 . . . . 309 . . . 5971 1 138 . 1 1 16 16 LYS H H 1 8.299 0.02 . 1 . . . . 309 . . . 5971 1 139 . 1 1 16 16 LYS CA C 13 58.827 0.06 . 1 . . . . 309 . . . 5971 1 140 . 1 1 16 16 LYS HA H 1 4.226 0.02 . 1 . . . . 309 . . . 5971 1 141 . 1 1 16 16 LYS CB C 13 32.571 0.06 . 1 . . . . 309 . . . 5971 1 142 . 1 1 16 16 LYS HB3 H 1 1.887 0.02 . 2 . . . . 309 . . . 5971 1 143 . 1 1 16 16 LYS HB2 H 1 2.000 0.02 . 2 . . . . 309 . . . 5971 1 144 . 1 1 16 16 LYS CG C 13 24.387 0.06 . 1 . . . . 309 . . . 5971 1 145 . 1 1 16 16 LYS HG2 H 1 1.542 0.02 . 2 . . . . 309 . . . 5971 1 146 . 1 1 16 16 LYS CD C 13 29.395 0.06 . 1 . . . . 309 . . . 5971 1 147 . 1 1 16 16 LYS HD2 H 1 1.695 0.02 . 2 . . . . 309 . . . 5971 1 148 . 1 1 16 16 LYS CE C 13 41.943 0.06 . 1 . . . . 309 . . . 5971 1 149 . 1 1 16 16 LYS HE2 H 1 3.012 0.02 . 2 . . . . 309 . . . 5971 1 150 . 1 1 16 16 LYS C C 13 177.554 0.06 . 1 . . . . 309 . . . 5971 1 151 . 1 1 17 17 THR N N 15 111.536 0.05 . 1 . . . . 310 . . . 5971 1 152 . 1 1 17 17 THR H H 1 9.012 0.02 . 1 . . . . 310 . . . 5971 1 153 . 1 1 17 17 THR CA C 13 63.184 0.06 . 1 . . . . 310 . . . 5971 1 154 . 1 1 17 17 THR HA H 1 4.657 0.02 . 1 . . . . 310 . . . 5971 1 155 . 1 1 17 17 THR CB C 13 70.423 0.06 . 1 . . . . 310 . . . 5971 1 156 . 1 1 17 17 THR HB H 1 4.497 0.02 . 1 . . . . 310 . . . 5971 1 157 . 1 1 17 17 THR CG2 C 13 22.101 0.06 . 1 . . . . 310 . . . 5971 1 158 . 1 1 17 17 THR HG21 H 1 1.339 0.02 . 1 . . . . 310 . . . 5971 1 159 . 1 1 17 17 THR HG22 H 1 1.339 0.02 . 1 . . . . 310 . . . 5971 1 160 . 1 1 17 17 THR HG23 H 1 1.339 0.02 . 1 . . . . 310 . . . 5971 1 161 . 1 1 17 17 THR C C 13 176.847 0.06 . 1 . . . . 310 . . . 5971 1 162 . 1 1 18 18 LYS N N 15 119.883 0.05 . 1 . . . . 311 . . . 5971 1 163 . 1 1 18 18 LYS H H 1 6.870 0.02 . 1 . . . . 311 . . . 5971 1 164 . 1 1 18 18 LYS CA C 13 55.465 0.06 . 1 . . . . 311 . . . 5971 1 165 . 1 1 18 18 LYS HA H 1 4.498 0.02 . 1 . . . . 311 . . . 5971 1 166 . 1 1 18 18 LYS CB C 13 32.716 0.06 . 1 . . . . 311 . . . 5971 1 167 . 1 1 18 18 LYS HB3 H 1 1.039 0.02 . 2 . . . . 311 . . . 5971 1 168 . 1 1 18 18 LYS HB2 H 1 1.771 0.02 . 2 . . . . 311 . . . 5971 1 169 . 1 1 18 18 LYS CG C 13 24.949 0.06 . 1 . . . . 311 . . . 5971 1 170 . 1 1 18 18 LYS HG2 H 1 0.952 0.02 . 2 . . . . 311 . . . 5971 1 171 . 1 1 18 18 LYS CD C 13 28.445 0.06 . 1 . . . . 311 . . . 5971 1 172 . 1 1 18 18 LYS HD2 H 1 1.122 0.02 . 2 . . . . 311 . . . 5971 1 173 . 1 1 18 18 LYS CE C 13 42.312 0.06 . 1 . . . . 311 . . . 5971 1 174 . 1 1 18 18 LYS HE2 H 1 2.759 0.02 . 2 . . . . 311 . . . 5971 1 175 . 1 1 18 18 LYS C C 13 175.226 0.06 . 1 . . . . 311 . . . 5971 1 176 . 1 1 19 19 PHE N N 15 120.087 0.05 . 1 . . . . 312 . . . 5971 1 177 . 1 1 19 19 PHE H H 1 9.015 0.02 . 1 . . . . 312 . . . 5971 1 178 . 1 1 19 19 PHE CA C 13 58.653 0.06 . 1 . . . . 312 . . . 5971 1 179 . 1 1 19 19 PHE HA H 1 5.584 0.02 . 1 . . . . 312 . . . 5971 1 180 . 1 1 19 19 PHE CB C 13 41.909 0.06 . 1 . . . . 312 . . . 5971 1 181 . 1 1 19 19 PHE HB3 H 1 2.748 0.02 . 2 . . . . 312 . . . 5971 1 182 . 1 1 19 19 PHE HB2 H 1 3.190 0.02 . 2 . . . . 312 . . . 5971 1 183 . 1 1 19 19 PHE CD1 C 13 129.800 0.06 . 1 . . . . 312 . . . 5971 1 184 . 1 1 19 19 PHE HD1 H 1 7.400 0.02 . 1 . . . . 312 . . . 5971 1 185 . 1 1 19 19 PHE CD2 C 13 129.800 0.06 . 1 . . . . 312 . . . 5971 1 186 . 1 1 19 19 PHE HD2 H 1 7.400 0.02 . 1 . . . . 312 . . . 5971 1 187 . 1 1 19 19 PHE C C 13 175.473 0.06 . 1 . . . . 312 . . . 5971 1 188 . 1 1 20 20 THR N N 15 110.186 0.05 . 1 . . . . 313 . . . 5971 1 189 . 1 1 20 20 THR H H 1 8.234 0.02 . 1 . . . . 313 . . . 5971 1 190 . 1 1 20 20 THR CA C 13 59.996 0.06 . 1 . . . . 313 . . . 5971 1 191 . 1 1 20 20 THR HA H 1 4.380 0.02 . 1 . . . . 313 . . . 5971 1 192 . 1 1 20 20 THR CB C 13 72.223 0.06 . 1 . . . . 313 . . . 5971 1 193 . 1 1 20 20 THR HB H 1 4.038 0.02 . 1 . . . . 313 . . . 5971 1 194 . 1 1 20 20 THR CG2 C 13 22.601 0.06 . 1 . . . . 313 . . . 5971 1 195 . 1 1 20 20 THR HG21 H 1 1.090 0.02 . 1 . . . . 313 . . . 5971 1 196 . 1 1 20 20 THR HG22 H 1 1.090 0.02 . 1 . . . . 313 . . . 5971 1 197 . 1 1 20 20 THR HG23 H 1 1.090 0.02 . 1 . . . . 313 . . . 5971 1 198 . 1 1 20 20 THR C C 13 174.629 0.06 . 1 . . . . 313 . . . 5971 1 199 . 1 1 21 21 TRP N N 15 121.165 0.05 . 1 . . . . 314 . . . 5971 1 200 . 1 1 21 21 TRP H H 1 9.002 0.02 . 1 . . . . 314 . . . 5971 1 201 . 1 1 21 21 TRP CA C 13 57.412 0.06 . 1 . . . . 314 . . . 5971 1 202 . 1 1 21 21 TRP HA H 1 4.918 0.02 . 1 . . . . 314 . . . 5971 1 203 . 1 1 21 21 TRP CB C 13 29.784 0.06 . 1 . . . . 314 . . . 5971 1 204 . 1 1 21 21 TRP HB3 H 1 2.906 0.02 . 2 . . . . 314 . . . 5971 1 205 . 1 1 21 21 TRP HB2 H 1 3.333 0.02 . 2 . . . . 314 . . . 5971 1 206 . 1 1 21 21 TRP NE1 N 15 128.156 0.05 . 1 . . . . 314 . . . 5971 1 207 . 1 1 21 21 TRP HE1 H 1 9.725 0.02 . 2 . . . . 314 . . . 5971 1 208 . 1 1 21 21 TRP C C 13 176.833 0.06 . 1 . . . . 314 . . . 5971 1 209 . 1 1 22 22 LYS N N 15 126.702 0.05 . 1 . . . . 315 . . . 5971 1 210 . 1 1 22 22 LYS H H 1 8.758 0.02 . 1 . . . . 315 . . . 5971 1 211 . 1 1 22 22 LYS CA C 13 58.076 0.06 . 1 . . . . 315 . . . 5971 1 212 . 1 1 22 22 LYS HA H 1 4.493 0.02 . 1 . . . . 315 . . . 5971 1 213 . 1 1 22 22 LYS CB C 13 33.333 0.06 . 1 . . . . 315 . . . 5971 1 214 . 1 1 22 22 LYS HB3 H 1 1.421 0.02 . 2 . . . . 315 . . . 5971 1 215 . 1 1 22 22 LYS HB2 H 1 1.609 0.02 . 2 . . . . 315 . . . 5971 1 216 . 1 1 22 22 LYS CG C 13 25.201 0.06 . 1 . . . . 315 . . . 5971 1 217 . 1 1 22 22 LYS HG2 H 1 1.300 0.02 . 2 . . . . 315 . . . 5971 1 218 . 1 1 22 22 LYS CD C 13 29.229 0.06 . 1 . . . . 315 . . . 5971 1 219 . 1 1 22 22 LYS HD3 H 1 1.515 0.02 . 2 . . . . 315 . . . 5971 1 220 . 1 1 22 22 LYS HD2 H 1 1.648 0.02 . 2 . . . . 315 . . . 5971 1 221 . 1 1 22 22 LYS CE C 13 41.905 0.06 . 1 . . . . 315 . . . 5971 1 222 . 1 1 22 22 LYS HE2 H 1 2.946 0.02 . 2 . . . . 315 . . . 5971 1 223 . 1 1 22 22 LYS C C 13 177.131 0.06 . 1 . . . . 315 . . . 5971 1 224 . 1 1 23 23 ARG N N 15 119.924 0.05 . 1 . . . . 316 . . . 5971 1 225 . 1 1 23 23 ARG H H 1 8.809 0.02 . 1 . . . . 316 . . . 5971 1 226 . 1 1 23 23 ARG CA C 13 56.216 0.06 . 1 . . . . 316 . . . 5971 1 227 . 1 1 23 23 ARG HA H 1 4.487 0.02 . 1 . . . . 316 . . . 5971 1 228 . 1 1 23 23 ARG CB C 13 32.980 0.06 . 1 . . . . 316 . . . 5971 1 229 . 1 1 23 23 ARG HB3 H 1 1.681 0.02 . 2 . . . . 316 . . . 5971 1 230 . 1 1 23 23 ARG HB2 H 1 1.793 0.02 . 2 . . . . 316 . . . 5971 1 231 . 1 1 23 23 ARG CG C 13 26.985 0.06 . 1 . . . . 316 . . . 5971 1 232 . 1 1 23 23 ARG HG3 H 1 1.511 0.02 . 2 . . . . 316 . . . 5971 1 233 . 1 1 23 23 ARG HG2 H 1 1.681 0.02 . 2 . . . . 316 . . . 5971 1 234 . 1 1 23 23 ARG CD C 13 44.040 0.06 . 1 . . . . 316 . . . 5971 1 235 . 1 1 23 23 ARG HD2 H 1 3.169 0.02 . 2 . . . . 316 . . . 5971 1 236 . 1 1 23 23 ARG NE N 15 84.718 0.05 . 1 . . . . 316 . . . 5971 1 237 . 1 1 23 23 ARG HE H 1 7.355 0.02 . 1 . . . . 316 . . . 5971 1 238 . 1 1 23 23 ARG CZ C 13 159.817 0.06 . 1 . . . . 316 . . . 5971 1 239 . 1 1 23 23 ARG C C 13 174.508 0.06 . 1 . . . . 316 . . . 5971 1 240 . 1 1 24 24 ALA N N 15 128.141 0.05 . 1 . . . . 317 . . . 5971 1 241 . 1 1 24 24 ALA H H 1 8.439 0.02 . 1 . . . . 317 . . . 5971 1 242 . 1 1 24 24 ALA CA C 13 50.997 0.06 . 1 . . . . 317 . . . 5971 1 243 . 1 1 24 24 ALA CB C 13 15.917 0.06 . 1 . . . . 317 . . . 5971 1 244 . 1 1 25 25 PRO CA C 13 63.230 0.06 . 1 . . . . 318 . . . 5971 1 245 . 1 1 25 25 PRO HA H 1 4.207 0.02 . 1 . . . . 318 . . . 5971 1 246 . 1 1 25 25 PRO CB C 13 31.168 0.06 . 1 . . . . 318 . . . 5971 1 247 . 1 1 25 25 PRO HB2 H 1 1.160 0.02 . 2 . . . . 318 . . . 5971 1 248 . 1 1 25 25 PRO CG C 13 27.905 0.06 . 1 . . . . 318 . . . 5971 1 249 . 1 1 25 25 PRO HG3 H 1 1.382 0.02 . 2 . . . . 318 . . . 5971 1 250 . 1 1 25 25 PRO HG2 H 1 1.552 0.02 . 2 . . . . 318 . . . 5971 1 251 . 1 1 25 25 PRO CD C 13 47.649 0.06 . 1 . . . . 318 . . . 5971 1 252 . 1 1 25 25 PRO C C 13 174.270 0.06 . 1 . . . . 318 . . . 5971 1 253 . 1 1 26 26 THR N N 15 117.564 0.05 . 1 . . . . 319 . . . 5971 1 254 . 1 1 26 26 THR H H 1 8.588 0.02 . 1 . . . . 319 . . . 5971 1 255 . 1 1 26 26 THR CA C 13 60.801 0.06 . 1 . . . . 319 . . . 5971 1 256 . 1 1 26 26 THR HA H 1 4.627 0.02 . 1 . . . . 319 . . . 5971 1 257 . 1 1 26 26 THR CB C 13 72.049 0.06 . 1 . . . . 319 . . . 5971 1 258 . 1 1 26 26 THR HB H 1 3.891 0.02 . 1 . . . . 319 . . . 5971 1 259 . 1 1 26 26 THR CG2 C 13 20.096 0.06 . 1 . . . . 319 . . . 5971 1 260 . 1 1 26 26 THR HG21 H 1 1.124 0.02 . 1 . . . . 319 . . . 5971 1 261 . 1 1 26 26 THR HG22 H 1 1.124 0.02 . 1 . . . . 319 . . . 5971 1 262 . 1 1 26 26 THR HG23 H 1 1.124 0.02 . 1 . . . . 319 . . . 5971 1 263 . 1 1 26 26 THR C C 13 171.885 0.06 . 1 . . . . 319 . . . 5971 1 264 . 1 1 27 27 ASP N N 15 123.958 0.05 . 1 . . . . 320 . . . 5971 1 265 . 1 1 27 27 ASP H H 1 8.509 0.02 . 1 . . . . 320 . . . 5971 1 266 . 1 1 27 27 ASP CA C 13 54.761 0.06 . 1 . . . . 320 . . . 5971 1 267 . 1 1 27 27 ASP HA H 1 4.702 0.02 . 1 . . . . 320 . . . 5971 1 268 . 1 1 27 27 ASP CB C 13 42.233 0.06 . 1 . . . . 320 . . . 5971 1 269 . 1 1 27 27 ASP HB2 H 1 2.963 0.02 . 2 . . . . 320 . . . 5971 1 270 . 1 1 27 27 ASP C C 13 177.669 0.06 . 1 . . . . 320 . . . 5971 1 271 . 1 1 28 28 SER N N 15 122.744 0.05 . 1 . . . . 321 . . . 5971 1 272 . 1 1 28 28 SER H H 1 8.799 0.02 . 1 . . . . 321 . . . 5971 1 273 . 1 1 28 28 SER CA C 13 58.520 0.06 . 1 . . . . 321 . . . 5971 1 274 . 1 1 28 28 SER HA H 1 4.008 0.02 . 1 . . . . 321 . . . 5971 1 275 . 1 1 28 28 SER CB C 13 65.877 0.06 . 1 . . . . 321 . . . 5971 1 276 . 1 1 28 28 SER HB2 H 1 3.477 0.02 . 2 . . . . 321 . . . 5971 1 277 . 1 1 28 28 SER C C 13 175.391 0.06 . 1 . . . . 321 . . . 5971 1 278 . 1 1 29 29 GLY N N 15 110.713 0.05 . 1 . . . . 322 . . . 5971 1 279 . 1 1 29 29 GLY H H 1 8.841 0.02 . 1 . . . . 322 . . . 5971 1 280 . 1 1 29 29 GLY CA C 13 45.212 0.06 . 1 . . . . 322 . . . 5971 1 281 . 1 1 29 29 GLY HA3 H 1 3.723 0.02 . 2 . . . . 322 . . . 5971 1 282 . 1 1 29 29 GLY HA2 H 1 4.479 0.02 . 2 . . . . 322 . . . 5971 1 283 . 1 1 29 29 GLY C C 13 174.234 0.06 . 1 . . . . 322 . . . 5971 1 284 . 1 1 30 30 HIS N N 15 116.989 0.05 . 1 . . . . 323 . . . 5971 1 285 . 1 1 30 30 HIS H H 1 7.992 0.02 . 1 . . . . 323 . . . 5971 1 286 . 1 1 30 30 HIS CA C 13 54.280 0.06 . 1 . . . . 323 . . . 5971 1 287 . 1 1 30 30 HIS HA H 1 5.024 0.02 . 1 . . . . 323 . . . 5971 1 288 . 1 1 30 30 HIS CB C 13 26.739 0.06 . 1 . . . . 323 . . . 5971 1 289 . 1 1 30 30 HIS HB3 H 1 2.907 0.02 . 2 . . . . 323 . . . 5971 1 290 . 1 1 30 30 HIS HB2 H 1 3.400 0.02 . 2 . . . . 323 . . . 5971 1 291 . 1 1 30 30 HIS CD2 C 13 119.080 0.06 . 1 . . . . 323 . . . 5971 1 292 . 1 1 30 30 HIS HD2 H 1 7.126 0.02 . 1 . . . . 323 . . . 5971 1 293 . 1 1 30 30 HIS CE1 C 13 144.540 0.06 . 1 . . . . 323 . . . 5971 1 294 . 1 1 30 30 HIS HE1 H 1 7.420 0.02 . 1 . . . . 323 . . . 5971 1 295 . 1 1 30 30 HIS C C 13 173.636 0.06 . 1 . . . . 323 . . . 5971 1 296 . 1 1 31 31 ASP N N 15 116.674 0.05 . 1 . . . . 324 . . . 5971 1 297 . 1 1 31 31 ASP H H 1 9.380 0.02 . 1 . . . . 324 . . . 5971 1 298 . 1 1 31 31 ASP CA C 13 56.004 0.06 . 1 . . . . 324 . . . 5971 1 299 . 1 1 31 31 ASP HA H 1 4.469 0.02 . 1 . . . . 324 . . . 5971 1 300 . 1 1 31 31 ASP CB C 13 38.898 0.06 . 1 . . . . 324 . . . 5971 1 301 . 1 1 31 31 ASP HB3 H 1 2.790 0.02 . 2 . . . . 324 . . . 5971 1 302 . 1 1 31 31 ASP HB2 H 1 3.015 0.02 . 2 . . . . 324 . . . 5971 1 303 . 1 1 31 31 ASP C C 13 175.463 0.06 . 1 . . . . 324 . . . 5971 1 304 . 1 1 32 32 THR N N 15 105.537 0.05 . 1 . . . . 325 . . . 5971 1 305 . 1 1 32 32 THR H H 1 7.078 0.02 . 1 . . . . 325 . . . 5971 1 306 . 1 1 32 32 THR CA C 13 59.194 0.06 . 1 . . . . 325 . . . 5971 1 307 . 1 1 32 32 THR HA H 1 4.882 0.02 . 1 . . . . 325 . . . 5971 1 308 . 1 1 32 32 THR CB C 13 71.991 0.06 . 1 . . . . 325 . . . 5971 1 309 . 1 1 32 32 THR HB H 1 4.224 0.02 . 1 . . . . 325 . . . 5971 1 310 . 1 1 32 32 THR CG2 C 13 22.778 0.06 . 1 . . . . 325 . . . 5971 1 311 . 1 1 32 32 THR HG21 H 1 1.144 0.02 . 1 . . . . 325 . . . 5971 1 312 . 1 1 32 32 THR HG22 H 1 1.144 0.02 . 1 . . . . 325 . . . 5971 1 313 . 1 1 32 32 THR HG23 H 1 1.144 0.02 . 1 . . . . 325 . . . 5971 1 314 . 1 1 32 32 THR C C 13 172.243 0.06 . 1 . . . . 325 . . . 5971 1 315 . 1 1 33 33 VAL N N 15 121.928 0.05 . 1 . . . . 326 . . . 5971 1 316 . 1 1 33 33 VAL H H 1 9.192 0.02 . 1 . . . . 326 . . . 5971 1 317 . 1 1 33 33 VAL CA C 13 60.896 0.06 . 1 . . . . 326 . . . 5971 1 318 . 1 1 33 33 VAL HA H 1 4.415 0.02 . 1 . . . . 326 . . . 5971 1 319 . 1 1 33 33 VAL CB C 13 33.384 0.06 . 1 . . . . 326 . . . 5971 1 320 . 1 1 33 33 VAL HB H 1 1.160 0.02 . 1 . . . . 326 . . . 5971 1 321 . 1 1 33 33 VAL HG21 H 1 -0.321 0.02 . 2 . . . . 326 . . . 5971 1 322 . 1 1 33 33 VAL HG22 H 1 -0.321 0.02 . 2 . . . . 326 . . . 5971 1 323 . 1 1 33 33 VAL HG23 H 1 -0.321 0.02 . 2 . . . . 326 . . . 5971 1 324 . 1 1 33 33 VAL CG1 C 13 20.837 0.06 . 2 . . . . 326 . . . 5971 1 325 . 1 1 33 33 VAL HG11 H 1 0.064 0.02 . 2 . . . . 326 . . . 5971 1 326 . 1 1 33 33 VAL HG12 H 1 0.064 0.02 . 2 . . . . 326 . . . 5971 1 327 . 1 1 33 33 VAL HG13 H 1 0.064 0.02 . 2 . . . . 326 . . . 5971 1 328 . 1 1 33 33 VAL C C 13 175.128 0.06 . 1 . . . . 326 . . . 5971 1 329 . 1 1 34 34 VAL N N 15 117.832 0.05 . 1 . . . . 327 . . . 5971 1 330 . 1 1 34 34 VAL H H 1 8.555 0.02 . 1 . . . . 327 . . . 5971 1 331 . 1 1 34 34 VAL CA C 13 58.041 0.06 . 1 . . . . 327 . . . 5971 1 332 . 1 1 34 34 VAL HA H 1 5.187 0.02 . 1 . . . . 327 . . . 5971 1 333 . 1 1 34 34 VAL CB C 13 35.182 0.06 . 1 . . . . 327 . . . 5971 1 334 . 1 1 34 34 VAL HB H 1 1.973 0.02 . 1 . . . . 327 . . . 5971 1 335 . 1 1 34 34 VAL CG2 C 13 18.031 0.06 . 2 . . . . 327 . . . 5971 1 336 . 1 1 34 34 VAL HG21 H 1 0.641 0.02 . 2 . . . . 327 . . . 5971 1 337 . 1 1 34 34 VAL HG22 H 1 0.641 0.02 . 2 . . . . 327 . . . 5971 1 338 . 1 1 34 34 VAL HG23 H 1 0.641 0.02 . 2 . . . . 327 . . . 5971 1 339 . 1 1 34 34 VAL CG1 C 13 22.654 0.06 . 2 . . . . 327 . . . 5971 1 340 . 1 1 34 34 VAL HG11 H 1 0.837 0.02 . 2 . . . . 327 . . . 5971 1 341 . 1 1 34 34 VAL HG12 H 1 0.837 0.02 . 2 . . . . 327 . . . 5971 1 342 . 1 1 34 34 VAL HG13 H 1 0.837 0.02 . 2 . . . . 327 . . . 5971 1 343 . 1 1 34 34 VAL C C 13 174.545 0.06 . 1 . . . . 327 . . . 5971 1 344 . 1 1 35 35 MET N N 15 115.422 0.05 . 1 . . . . 328 . . . 5971 1 345 . 1 1 35 35 MET H H 1 8.020 0.02 . 1 . . . . 328 . . . 5971 1 346 . 1 1 35 35 MET CA C 13 54.424 0.06 . 1 . . . . 328 . . . 5971 1 347 . 1 1 35 35 MET HA H 1 4.332 0.02 . 1 . . . . 328 . . . 5971 1 348 . 1 1 35 35 MET CB C 13 34.750 0.06 . 1 . . . . 328 . . . 5971 1 349 . 1 1 35 35 MET HB3 H 1 1.606 0.02 . 2 . . . . 328 . . . 5971 1 350 . 1 1 35 35 MET HB2 H 1 2.371 0.02 . 2 . . . . 328 . . . 5971 1 351 . 1 1 35 35 MET CG C 13 29.992 0.06 . 1 . . . . 328 . . . 5971 1 352 . 1 1 35 35 MET HG3 H 1 2.110 0.02 . 2 . . . . 328 . . . 5971 1 353 . 1 1 35 35 MET HG2 H 1 2.511 0.02 . 2 . . . . 328 . . . 5971 1 354 . 1 1 35 35 MET C C 13 172.133 0.06 . 1 . . . . 328 . . . 5971 1 355 . 1 1 36 36 GLU N N 15 118.299 0.05 . 1 . . . . 329 . . . 5971 1 356 . 1 1 36 36 GLU H H 1 9.462 0.02 . 1 . . . . 329 . . . 5971 1 357 . 1 1 36 36 GLU CA C 13 54.806 0.06 . 1 . . . . 329 . . . 5971 1 358 . 1 1 36 36 GLU HA H 1 5.631 0.02 . 1 . . . . 329 . . . 5971 1 359 . 1 1 36 36 GLU CB C 13 34.356 0.06 . 1 . . . . 329 . . . 5971 1 360 . 1 1 36 36 GLU HB3 H 1 1.943 0.02 . 2 . . . . 329 . . . 5971 1 361 . 1 1 36 36 GLU HB2 H 1 1.991 0.02 . 2 . . . . 329 . . . 5971 1 362 . 1 1 36 36 GLU CG C 13 36.860 0.06 . 1 . . . . 329 . . . 5971 1 363 . 1 1 36 36 GLU HG2 H 1 2.185 0.02 . 2 . . . . 329 . . . 5971 1 364 . 1 1 36 36 GLU C C 13 176.581 0.06 . 1 . . . . 329 . . . 5971 1 365 . 1 1 37 37 VAL N N 15 120.302 0.05 . 1 . . . . 330 . . . 5971 1 366 . 1 1 37 37 VAL H H 1 9.109 0.02 . 1 . . . . 330 . . . 5971 1 367 . 1 1 37 37 VAL CA C 13 59.303 0.06 . 1 . . . . 330 . . . 5971 1 368 . 1 1 37 37 VAL HA H 1 5.339 0.02 . 1 . . . . 330 . . . 5971 1 369 . 1 1 37 37 VAL CB C 13 34.424 0.06 . 1 . . . . 330 . . . 5971 1 370 . 1 1 37 37 VAL HB H 1 2.603 0.02 . 1 . . . . 330 . . . 5971 1 371 . 1 1 37 37 VAL CG2 C 13 18.364 0.06 . 2 . . . . 330 . . . 5971 1 372 . 1 1 37 37 VAL HG21 H 1 0.539 0.02 . 2 . . . . 330 . . . 5971 1 373 . 1 1 37 37 VAL HG22 H 1 0.539 0.02 . 2 . . . . 330 . . . 5971 1 374 . 1 1 37 37 VAL HG23 H 1 0.539 0.02 . 2 . . . . 330 . . . 5971 1 375 . 1 1 37 37 VAL CG1 C 13 23.269 0.06 . 2 . . . . 330 . . . 5971 1 376 . 1 1 37 37 VAL HG11 H 1 0.947 0.02 . 2 . . . . 330 . . . 5971 1 377 . 1 1 37 37 VAL HG12 H 1 0.947 0.02 . 2 . . . . 330 . . . 5971 1 378 . 1 1 37 37 VAL HG13 H 1 0.947 0.02 . 2 . . . . 330 . . . 5971 1 379 . 1 1 37 37 VAL C C 13 175.709 0.06 . 1 . . . . 330 . . . 5971 1 380 . 1 1 38 38 GLY N N 15 109.163 0.05 . 1 . . . . 331 . . . 5971 1 381 . 1 1 38 38 GLY H H 1 9.128 0.02 . 1 . . . . 331 . . . 5971 1 382 . 1 1 38 38 GLY CA C 13 43.217 0.06 . 1 . . . . 331 . . . 5971 1 383 . 1 1 38 38 GLY HA3 H 1 3.466 0.02 . 2 . . . . 331 . . . 5971 1 384 . 1 1 38 38 GLY HA2 H 1 4.520 0.02 . 2 . . . . 331 . . . 5971 1 385 . 1 1 38 38 GLY C C 13 172.681 0.06 . 1 . . . . 331 . . . 5971 1 386 . 1 1 39 39 PHE N N 15 118.470 0.05 . 1 . . . . 332 . . . 5971 1 387 . 1 1 39 39 PHE H H 1 8.341 0.02 . 1 . . . . 332 . . . 5971 1 388 . 1 1 39 39 PHE CA C 13 56.831 0.06 . 1 . . . . 332 . . . 5971 1 389 . 1 1 39 39 PHE HA H 1 5.261 0.02 . 1 . . . . 332 . . . 5971 1 390 . 1 1 39 39 PHE CB C 13 44.085 0.06 . 1 . . . . 332 . . . 5971 1 391 . 1 1 39 39 PHE HB3 H 1 2.543 0.02 . 2 . . . . 332 . . . 5971 1 392 . 1 1 39 39 PHE HB2 H 1 3.020 0.02 . 2 . . . . 332 . . . 5971 1 393 . 1 1 39 39 PHE CD1 C 13 131.480 0.06 . 1 . . . . 332 . . . 5971 1 394 . 1 1 39 39 PHE HD1 H 1 6.790 0.02 . 1 . . . . 332 . . . 5971 1 395 . 1 1 39 39 PHE CE1 C 13 129.880 0.06 . 3 . . . . 332 . . . 5971 1 396 . 1 1 39 39 PHE HE1 H 1 7.420 0.02 . 3 . . . . 332 . . . 5971 1 397 . 1 1 39 39 PHE CD2 C 13 131.480 0.06 . 1 . . . . 332 . . . 5971 1 398 . 1 1 39 39 PHE HD2 H 1 6.790 0.02 . 1 . . . . 332 . . . 5971 1 399 . 1 1 39 39 PHE C C 13 175.155 0.06 . 1 . . . . 332 . . . 5971 1 400 . 1 1 40 40 SER N N 15 119.450 0.05 . 1 . . . . 333 . . . 5971 1 401 . 1 1 40 40 SER H H 1 7.630 0.02 . 1 . . . . 333 . . . 5971 1 402 . 1 1 40 40 SER CA C 13 57.051 0.06 . 1 . . . . 333 . . . 5971 1 403 . 1 1 40 40 SER CB C 13 63.868 0.06 . 1 . . . . 333 . . . 5971 1 404 . 1 1 41 41 GLY CA C 13 45.100 0.06 . 1 . . . . 334 . . . 5971 1 405 . 1 1 41 41 GLY HA3 H 1 2.892 0.02 . 2 . . . . 334 . . . 5971 1 406 . 1 1 41 41 GLY HA2 H 1 4.217 0.02 . 2 . . . . 334 . . . 5971 1 407 . 1 1 41 41 GLY C C 13 172.566 0.06 . 1 . . . . 334 . . . 5971 1 408 . 1 1 42 42 THR N N 15 117.411 0.05 . 1 . . . . 335 . . . 5971 1 409 . 1 1 42 42 THR H H 1 8.324 0.02 . 1 . . . . 335 . . . 5971 1 410 . 1 1 42 42 THR CA C 13 64.293 0.06 . 1 . . . . 335 . . . 5971 1 411 . 1 1 42 42 THR HA H 1 4.062 0.02 . 1 . . . . 335 . . . 5971 1 412 . 1 1 42 42 THR CB C 13 69.246 0.06 . 1 . . . . 335 . . . 5971 1 413 . 1 1 42 42 THR HB H 1 4.009 0.02 . 1 . . . . 335 . . . 5971 1 414 . 1 1 42 42 THR CG2 C 13 22.283 0.06 . 1 . . . . 335 . . . 5971 1 415 . 1 1 42 42 THR HG21 H 1 1.223 0.02 . 1 . . . . 335 . . . 5971 1 416 . 1 1 42 42 THR HG22 H 1 1.223 0.02 . 1 . . . . 335 . . . 5971 1 417 . 1 1 42 42 THR HG23 H 1 1.223 0.02 . 1 . . . . 335 . . . 5971 1 418 . 1 1 42 42 THR C C 13 173.471 0.06 . 1 . . . . 335 . . . 5971 1 419 . 1 1 43 43 ARG N N 15 125.917 0.05 . 1 . . . . 336 . . . 5971 1 420 . 1 1 43 43 ARG H H 1 8.589 0.02 . 1 . . . . 336 . . . 5971 1 421 . 1 1 43 43 ARG CA C 13 53.449 0.06 . 1 . . . . 336 . . . 5971 1 422 . 1 1 43 43 ARG HA H 1 4.170 0.02 . 1 . . . . 336 . . . 5971 1 423 . 1 1 43 43 ARG CB C 13 32.100 0.06 . 1 . . . . 336 . . . 5971 1 424 . 1 1 43 43 ARG HB3 H 1 1.550 0.02 . 2 . . . . 336 . . . 5971 1 425 . 1 1 43 43 ARG HG2 H 1 1.330 0.02 . 2 . . . . 336 . . . 5971 1 426 . 1 1 43 43 ARG NE N 15 86.188 0.05 . 1 . . . . 336 . . . 5971 1 427 . 1 1 43 43 ARG HE H 1 8.082 0.02 . 1 . . . . 336 . . . 5971 1 428 . 1 1 43 43 ARG CZ C 13 159.290 0.06 . 1 . . . . 336 . . . 5971 1 429 . 1 1 44 44 PRO CA C 13 61.594 0.06 . 1 . . . . 337 . . . 5971 1 430 . 1 1 44 44 PRO HA H 1 4.890 0.02 . 1 . . . . 337 . . . 5971 1 431 . 1 1 44 44 PRO CB C 13 35.339 0.06 . 1 . . . . 337 . . . 5971 1 432 . 1 1 44 44 PRO HB3 H 1 1.544 0.02 . 2 . . . . 337 . . . 5971 1 433 . 1 1 44 44 PRO HB2 H 1 2.219 0.02 . 2 . . . . 337 . . . 5971 1 434 . 1 1 44 44 PRO CG C 13 24.616 0.06 . 1 . . . . 337 . . . 5971 1 435 . 1 1 44 44 PRO HG3 H 1 1.496 0.02 . 2 . . . . 337 . . . 5971 1 436 . 1 1 44 44 PRO HG2 H 1 1.780 0.02 . 2 . . . . 337 . . . 5971 1 437 . 1 1 44 44 PRO CD C 13 50.310 0.06 . 1 . . . . 337 . . . 5971 1 438 . 1 1 44 44 PRO HD2 H 1 3.469 0.02 . 2 . . . . 337 . . . 5971 1 439 . 1 1 44 44 PRO C C 13 175.804 0.06 . 1 . . . . 337 . . . 5971 1 440 . 1 1 45 45 CYS N N 15 113.976 0.05 . 1 . . . . 338 . . . 5971 1 441 . 1 1 45 45 CYS H H 1 8.735 0.02 . 1 . . . . 338 . . . 5971 1 442 . 1 1 45 45 CYS CA C 13 55.124 0.06 . 1 . . . . 338 . . . 5971 1 443 . 1 1 45 45 CYS HA H 1 5.020 0.02 . 1 . . . . 338 . . . 5971 1 444 . 1 1 45 45 CYS CB C 13 44.082 0.06 . 1 . . . . 338 . . . 5971 1 445 . 1 1 45 45 CYS HB3 H 1 2.942 0.02 . 2 . . . . 338 . . . 5971 1 446 . 1 1 45 45 CYS HB2 H 1 3.257 0.02 . 2 . . . . 338 . . . 5971 1 447 . 1 1 45 45 CYS C C 13 172.098 0.06 . 1 . . . . 338 . . . 5971 1 448 . 1 1 46 46 ARG N N 15 120.641 0.05 . 1 . . . . 339 . . . 5971 1 449 . 1 1 46 46 ARG H H 1 9.316 0.02 . 1 . . . . 339 . . . 5971 1 450 . 1 1 46 46 ARG CA C 13 55.509 0.06 . 1 . . . . 339 . . . 5971 1 451 . 1 1 46 46 ARG HA H 1 4.470 0.02 . 1 . . . . 339 . . . 5971 1 452 . 1 1 46 46 ARG CB C 13 31.651 0.06 . 1 . . . . 339 . . . 5971 1 453 . 1 1 46 46 ARG HB3 H 1 1.667 0.02 . 2 . . . . 339 . . . 5971 1 454 . 1 1 46 46 ARG HB2 H 1 1.754 0.02 . 2 . . . . 339 . . . 5971 1 455 . 1 1 46 46 ARG CG C 13 27.188 0.06 . 1 . . . . 339 . . . 5971 1 456 . 1 1 46 46 ARG HG2 H 1 1.515 0.02 . 2 . . . . 339 . . . 5971 1 457 . 1 1 46 46 ARG CD C 13 43.313 0.06 . 1 . . . . 339 . . . 5971 1 458 . 1 1 46 46 ARG HD2 H 1 3.076 0.02 . 2 . . . . 339 . . . 5971 1 459 . 1 1 46 46 ARG NE N 15 83.754 0.05 . 1 . . . . 339 . . . 5971 1 460 . 1 1 46 46 ARG HE H 1 7.067 0.02 . 1 . . . . 339 . . . 5971 1 461 . 1 1 46 46 ARG CZ C 13 159.368 0.06 . 1 . . . . 339 . . . 5971 1 462 . 1 1 46 46 ARG C C 13 174.843 0.06 . 1 . . . . 339 . . . 5971 1 463 . 1 1 47 47 ILE N N 15 127.949 0.05 . 1 . . . . 340 . . . 5971 1 464 . 1 1 47 47 ILE H H 1 8.448 0.02 . 1 . . . . 340 . . . 5971 1 465 . 1 1 47 47 ILE CA C 13 60.884 0.06 . 1 . . . . 340 . . . 5971 1 466 . 1 1 47 47 ILE CB C 13 39.899 0.06 . 1 . . . . 340 . . . 5971 1 467 . 1 1 48 48 PRO CA C 13 61.779 0.06 . 1 . . . . 341 . . . 5971 1 468 . 1 1 48 48 PRO HA H 1 4.799 0.02 . 1 . . . . 341 . . . 5971 1 469 . 1 1 48 48 PRO CB C 13 29.283 0.06 . 1 . . . . 341 . . . 5971 1 470 . 1 1 48 48 PRO HB3 H 1 1.888 0.02 . 2 . . . . 341 . . . 5971 1 471 . 1 1 48 48 PRO HB2 H 1 2.146 0.02 . 2 . . . . 341 . . . 5971 1 472 . 1 1 48 48 PRO CG C 13 26.665 0.06 . 1 . . . . 341 . . . 5971 1 473 . 1 1 48 48 PRO HG3 H 1 1.990 0.02 . 2 . . . . 341 . . . 5971 1 474 . 1 1 48 48 PRO HG2 H 1 2.152 0.02 . 2 . . . . 341 . . . 5971 1 475 . 1 1 48 48 PRO CD C 13 50.481 0.06 . 1 . . . . 341 . . . 5971 1 476 . 1 1 48 48 PRO HD3 H 1 3.343 0.02 . 2 . . . . 341 . . . 5971 1 477 . 1 1 48 48 PRO HD2 H 1 4.104 0.02 . 2 . . . . 341 . . . 5971 1 478 . 1 1 48 48 PRO C C 13 173.995 0.06 . 1 . . . . 341 . . . 5971 1 479 . 1 1 49 49 VAL N N 15 124.132 0.05 . 1 . . . . 342 . . . 5971 1 480 . 1 1 49 49 VAL H H 1 7.853 0.02 . 1 . . . . 342 . . . 5971 1 481 . 1 1 49 49 VAL CA C 13 58.871 0.06 . 1 . . . . 342 . . . 5971 1 482 . 1 1 49 49 VAL HA H 1 5.220 0.02 . 1 . . . . 342 . . . 5971 1 483 . 1 1 49 49 VAL CB C 13 33.694 0.06 . 1 . . . . 342 . . . 5971 1 484 . 1 1 49 49 VAL HB H 1 1.731 0.02 . 1 . . . . 342 . . . 5971 1 485 . 1 1 49 49 VAL CG2 C 13 20.183 0.06 . 2 . . . . 342 . . . 5971 1 486 . 1 1 49 49 VAL CG1 C 13 22.440 0.06 . 2 . . . . 342 . . . 5971 1 487 . 1 1 49 49 VAL HG11 H 1 0.816 0.02 . 2 . . . . 342 . . . 5971 1 488 . 1 1 49 49 VAL HG12 H 1 0.816 0.02 . 2 . . . . 342 . . . 5971 1 489 . 1 1 49 49 VAL HG13 H 1 0.816 0.02 . 2 . . . . 342 . . . 5971 1 490 . 1 1 49 49 VAL C C 13 173.599 0.06 . 1 . . . . 342 . . . 5971 1 491 . 1 1 50 50 ARG N N 15 124.604 0.05 . 1 . . . . 343 . . . 5971 1 492 . 1 1 50 50 ARG H H 1 9.159 0.02 . 1 . . . . 343 . . . 5971 1 493 . 1 1 50 50 ARG CA C 13 54.737 0.06 . 1 . . . . 343 . . . 5971 1 494 . 1 1 50 50 ARG HA H 1 4.619 0.02 . 1 . . . . 343 . . . 5971 1 495 . 1 1 50 50 ARG CB C 13 32.893 0.06 . 1 . . . . 343 . . . 5971 1 496 . 1 1 50 50 ARG HB3 H 1 1.719 0.02 . 2 . . . . 343 . . . 5971 1 497 . 1 1 50 50 ARG HB2 H 1 1.871 0.02 . 2 . . . . 343 . . . 5971 1 498 . 1 1 50 50 ARG CG C 13 26.899 0.06 . 1 . . . . 343 . . . 5971 1 499 . 1 1 50 50 ARG HG3 H 1 1.236 0.02 . 2 . . . . 343 . . . 5971 1 500 . 1 1 50 50 ARG HG2 H 1 1.625 0.02 . 2 . . . . 343 . . . 5971 1 501 . 1 1 50 50 ARG CD C 13 43.285 0.06 . 1 . . . . 343 . . . 5971 1 502 . 1 1 50 50 ARG HD2 H 1 2.987 0.02 . 2 . . . . 343 . . . 5971 1 503 . 1 1 50 50 ARG NE N 15 83.880 0.05 . 1 . . . . 343 . . . 5971 1 504 . 1 1 50 50 ARG HE H 1 6.825 0.02 . 1 . . . . 343 . . . 5971 1 505 . 1 1 50 50 ARG CZ C 13 158.999 0.06 . 1 . . . . 343 . . . 5971 1 506 . 1 1 50 50 ARG C C 13 172.502 0.06 . 1 . . . . 343 . . . 5971 1 507 . 1 1 51 51 ALA N N 15 119.234 0.05 . 1 . . . . 344 . . . 5971 1 508 . 1 1 51 51 ALA H H 1 8.503 0.02 . 1 . . . . 344 . . . 5971 1 509 . 1 1 51 51 ALA CA C 13 51.902 0.06 . 1 . . . . 344 . . . 5971 1 510 . 1 1 51 51 ALA HA H 1 5.630 0.02 . 1 . . . . 344 . . . 5971 1 511 . 1 1 51 51 ALA CB C 13 24.803 0.06 . 1 . . . . 344 . . . 5971 1 512 . 1 1 51 51 ALA HB1 H 1 1.245 0.02 . 1 . . . . 344 . . . 5971 1 513 . 1 1 51 51 ALA HB2 H 1 1.245 0.02 . 1 . . . . 344 . . . 5971 1 514 . 1 1 51 51 ALA HB3 H 1 1.245 0.02 . 1 . . . . 344 . . . 5971 1 515 . 1 1 51 51 ALA C C 13 175.210 0.06 . 1 . . . . 344 . . . 5971 1 516 . 1 1 52 52 VAL N N 15 113.842 0.05 . 1 . . . . 345 . . . 5971 1 517 . 1 1 52 52 VAL H H 1 9.126 0.02 . 1 . . . . 345 . . . 5971 1 518 . 1 1 52 52 VAL CA C 13 58.913 0.06 . 1 . . . . 345 . . . 5971 1 519 . 1 1 52 52 VAL HA H 1 5.159 0.02 . 1 . . . . 345 . . . 5971 1 520 . 1 1 52 52 VAL CB C 13 34.821 0.06 . 1 . . . . 345 . . . 5971 1 521 . 1 1 52 52 VAL HB H 1 2.487 0.02 . 1 . . . . 345 . . . 5971 1 522 . 1 1 52 52 VAL CG2 C 13 20.146 0.06 . 2 . . . . 345 . . . 5971 1 523 . 1 1 52 52 VAL CG1 C 13 21.458 0.06 . 2 . . . . 345 . . . 5971 1 524 . 1 1 52 52 VAL HG11 H 1 0.966 0.02 . 2 . . . . 345 . . . 5971 1 525 . 1 1 52 52 VAL HG12 H 1 0.966 0.02 . 2 . . . . 345 . . . 5971 1 526 . 1 1 52 52 VAL HG13 H 1 0.966 0.02 . 2 . . . . 345 . . . 5971 1 527 . 1 1 52 52 VAL C C 13 174.624 0.06 . 1 . . . . 345 . . . 5971 1 528 . 1 1 53 53 ALA N N 15 127.303 0.05 . 1 . . . . 346 . . . 5971 1 529 . 1 1 53 53 ALA H H 1 9.476 0.02 . 1 . . . . 346 . . . 5971 1 530 . 1 1 53 53 ALA CA C 13 51.419 0.06 . 1 . . . . 346 . . . 5971 1 531 . 1 1 53 53 ALA HA H 1 4.875 0.02 . 1 . . . . 346 . . . 5971 1 532 . 1 1 53 53 ALA CB C 13 19.918 0.06 . 1 . . . . 346 . . . 5971 1 533 . 1 1 53 53 ALA HB1 H 1 1.374 0.02 . 1 . . . . 346 . . . 5971 1 534 . 1 1 53 53 ALA HB2 H 1 1.374 0.02 . 1 . . . . 346 . . . 5971 1 535 . 1 1 53 53 ALA HB3 H 1 1.374 0.02 . 1 . . . . 346 . . . 5971 1 536 . 1 1 53 53 ALA C C 13 178.694 0.06 . 1 . . . . 346 . . . 5971 1 537 . 1 1 54 54 HIS N N 15 120.349 0.05 . 1 . . . . 347 . . . 5971 1 538 . 1 1 54 54 HIS H H 1 8.605 0.02 . 1 . . . . 347 . . . 5971 1 539 . 1 1 54 54 HIS CA C 13 57.947 0.06 . 1 . . . . 347 . . . 5971 1 540 . 1 1 54 54 HIS HA H 1 4.109 0.02 . 1 . . . . 347 . . . 5971 1 541 . 1 1 54 54 HIS CB C 13 29.181 0.06 . 1 . . . . 347 . . . 5971 1 542 . 1 1 54 54 HIS HB3 H 1 3.039 0.02 . 2 . . . . 347 . . . 5971 1 543 . 1 1 54 54 HIS HB2 H 1 3.159 0.02 . 2 . . . . 347 . . . 5971 1 544 . 1 1 54 54 HIS CD2 C 13 120.110 0.06 . 1 . . . . 347 . . . 5971 1 545 . 1 1 54 54 HIS HD2 H 1 7.280 0.02 . 3 . . . . 347 . . . 5971 1 546 . 1 1 54 54 HIS C C 13 176.101 0.06 . 1 . . . . 347 . . . 5971 1 547 . 1 1 55 55 GLY N N 15 111.725 0.05 . 1 . . . . 348 . . . 5971 1 548 . 1 1 55 55 GLY H H 1 8.670 0.02 . 1 . . . . 348 . . . 5971 1 549 . 1 1 55 55 GLY CA C 13 45.181 0.06 . 1 . . . . 348 . . . 5971 1 550 . 1 1 55 55 GLY HA3 H 1 3.673 0.02 . 2 . . . . 348 . . . 5971 1 551 . 1 1 55 55 GLY HA2 H 1 4.110 0.02 . 2 . . . . 348 . . . 5971 1 552 . 1 1 55 55 GLY C C 13 174.195 0.06 . 1 . . . . 348 . . . 5971 1 553 . 1 1 56 56 VAL N N 15 120.442 0.05 . 1 . . . . 349 . . . 5971 1 554 . 1 1 56 56 VAL H H 1 7.859 0.02 . 1 . . . . 349 . . . 5971 1 555 . 1 1 56 56 VAL CA C 13 59.747 0.06 . 1 . . . . 349 . . . 5971 1 556 . 1 1 56 56 VAL HA H 1 4.620 0.02 . 1 . . . . 349 . . . 5971 1 557 . 1 1 56 56 VAL CB C 13 32.381 0.06 . 1 . . . . 349 . . . 5971 1 558 . 1 1 56 56 VAL HB H 1 2.170 0.02 . 1 . . . . 349 . . . 5971 1 559 . 1 1 56 56 VAL HG21 H 1 0.875 0.02 . 2 . . . . 349 . . . 5971 1 560 . 1 1 56 56 VAL HG22 H 1 0.875 0.02 . 2 . . . . 349 . . . 5971 1 561 . 1 1 56 56 VAL HG23 H 1 0.875 0.02 . 2 . . . . 349 . . . 5971 1 562 . 1 1 56 56 VAL HG11 H 1 1.030 0.02 . 2 . . . . 349 . . . 5971 1 563 . 1 1 56 56 VAL HG12 H 1 1.030 0.02 . 2 . . . . 349 . . . 5971 1 564 . 1 1 56 56 VAL HG13 H 1 1.030 0.02 . 2 . . . . 349 . . . 5971 1 565 . 1 1 57 57 PRO CA C 13 64.500 0.06 . 1 . . . . 350 . . . 5971 1 566 . 1 1 57 57 PRO HA H 1 4.317 0.02 . 1 . . . . 350 . . . 5971 1 567 . 1 1 57 57 PRO CB C 13 32.349 0.06 . 1 . . . . 350 . . . 5971 1 568 . 1 1 57 57 PRO HB3 H 1 1.943 0.02 . 2 . . . . 350 . . . 5971 1 569 . 1 1 57 57 PRO HB2 H 1 2.291 0.02 . 2 . . . . 350 . . . 5971 1 570 . 1 1 57 57 PRO CG C 13 27.148 0.06 . 1 . . . . 350 . . . 5971 1 571 . 1 1 57 57 PRO HG2 H 1 1.945 0.02 . 2 . . . . 350 . . . 5971 1 572 . 1 1 57 57 PRO CD C 13 50.679 0.06 . 1 . . . . 350 . . . 5971 1 573 . 1 1 57 57 PRO HD3 H 1 3.821 0.02 . 2 . . . . 350 . . . 5971 1 574 . 1 1 57 57 PRO HD2 H 1 3.451 0.02 . 2 . . . . 350 . . . 5971 1 575 . 1 1 57 57 PRO C C 13 177.735 0.06 . 1 . . . . 350 . . . 5971 1 576 . 1 1 58 58 GLU N N 15 115.441 0.05 . 1 . . . . 351 . . . 5971 1 577 . 1 1 58 58 GLU H H 1 8.888 0.02 . 1 . . . . 351 . . . 5971 1 578 . 1 1 58 58 GLU CA C 13 58.164 0.06 . 1 . . . . 351 . . . 5971 1 579 . 1 1 58 58 GLU HA H 1 4.171 0.02 . 1 . . . . 351 . . . 5971 1 580 . 1 1 58 58 GLU CB C 13 29.344 0.06 . 1 . . . . 351 . . . 5971 1 581 . 1 1 58 58 GLU HB3 H 1 1.996 0.02 . 2 . . . . 351 . . . 5971 1 582 . 1 1 58 58 GLU HB2 H 1 2.133 0.02 . 2 . . . . 351 . . . 5971 1 583 . 1 1 58 58 GLU CG C 13 36.457 0.06 . 1 . . . . 351 . . . 5971 1 584 . 1 1 58 58 GLU HG2 H 1 2.252 0.02 . 2 . . . . 351 . . . 5971 1 585 . 1 1 58 58 GLU C C 13 176.381 0.06 . 1 . . . . 351 . . . 5971 1 586 . 1 1 59 59 VAL N N 15 119.118 0.05 . 1 . . . . 352 . . . 5971 1 587 . 1 1 59 59 VAL H H 1 6.930 0.02 . 1 . . . . 352 . . . 5971 1 588 . 1 1 59 59 VAL CA C 13 61.957 0.06 . 1 . . . . 352 . . . 5971 1 589 . 1 1 59 59 VAL HA H 1 4.196 0.02 . 1 . . . . 352 . . . 5971 1 590 . 1 1 59 59 VAL CB C 13 33.880 0.06 . 1 . . . . 352 . . . 5971 1 591 . 1 1 59 59 VAL HB H 1 2.005 0.02 . 1 . . . . 352 . . . 5971 1 592 . 1 1 59 59 VAL CG1 C 13 20.946 0.06 . 2 . . . . 352 . . . 5971 1 593 . 1 1 59 59 VAL HG11 H 1 0.872 0.02 . 2 . . . . 352 . . . 5971 1 594 . 1 1 59 59 VAL HG12 H 1 0.872 0.02 . 2 . . . . 352 . . . 5971 1 595 . 1 1 59 59 VAL HG13 H 1 0.872 0.02 . 2 . . . . 352 . . . 5971 1 596 . 1 1 59 59 VAL C C 13 175.048 0.06 . 1 . . . . 352 . . . 5971 1 597 . 1 1 60 60 ASN N N 15 125.913 0.05 . 1 . . . . 353 . . . 5971 1 598 . 1 1 60 60 ASN H H 1 8.828 0.02 . 1 . . . . 353 . . . 5971 1 599 . 1 1 60 60 ASN CA C 13 52.532 0.06 . 1 . . . . 353 . . . 5971 1 600 . 1 1 60 60 ASN HA H 1 5.436 0.02 . 1 . . . . 353 . . . 5971 1 601 . 1 1 60 60 ASN CB C 13 38.653 0.06 . 1 . . . . 353 . . . 5971 1 602 . 1 1 60 60 ASN HB3 H 1 2.890 0.02 . 2 . . . . 353 . . . 5971 1 603 . 1 1 60 60 ASN HB2 H 1 3.041 0.02 . 2 . . . . 353 . . . 5971 1 604 . 1 1 60 60 ASN CG C 13 176.701 0.06 . 1 . . . . 353 . . . 5971 1 605 . 1 1 60 60 ASN ND2 N 15 113.557 0.05 . 1 . . . . 353 . . . 5971 1 606 . 1 1 60 60 ASN HD21 H 1 7.304 0.02 . 2 . . . . 353 . . . 5971 1 607 . 1 1 60 60 ASN HD22 H 1 7.682 0.02 . 2 . . . . 353 . . . 5971 1 608 . 1 1 60 60 ASN C C 13 176.714 0.06 . 1 . . . . 353 . . . 5971 1 609 . 1 1 61 61 VAL N N 15 119.545 0.05 . 1 . . . . 354 . . . 5971 1 610 . 1 1 61 61 VAL H H 1 8.996 0.02 . 1 . . . . 354 . . . 5971 1 611 . 1 1 61 61 VAL CA C 13 60.312 0.06 . 1 . . . . 354 . . . 5971 1 612 . 1 1 61 61 VAL HA H 1 4.485 0.02 . 1 . . . . 354 . . . 5971 1 613 . 1 1 61 61 VAL CB C 13 32.064 0.06 . 1 . . . . 354 . . . 5971 1 614 . 1 1 61 61 VAL HB H 1 2.400 0.02 . 1 . . . . 354 . . . 5971 1 615 . 1 1 61 61 VAL CG2 C 13 17.777 0.06 . 2 . . . . 354 . . . 5971 1 616 . 1 1 61 61 VAL HG21 H 1 0.623 0.02 . 2 . . . . 354 . . . 5971 1 617 . 1 1 61 61 VAL HG22 H 1 0.623 0.02 . 2 . . . . 354 . . . 5971 1 618 . 1 1 61 61 VAL HG23 H 1 0.623 0.02 . 2 . . . . 354 . . . 5971 1 619 . 1 1 61 61 VAL CG1 C 13 21.678 0.06 . 2 . . . . 354 . . . 5971 1 620 . 1 1 61 61 VAL HG11 H 1 0.989 0.02 . 2 . . . . 354 . . . 5971 1 621 . 1 1 61 61 VAL HG12 H 1 0.989 0.02 . 2 . . . . 354 . . . 5971 1 622 . 1 1 61 61 VAL HG13 H 1 0.989 0.02 . 2 . . . . 354 . . . 5971 1 623 . 1 1 61 61 VAL C C 13 176.030 0.06 . 1 . . . . 354 . . . 5971 1 624 . 1 1 62 62 ALA N N 15 122.421 0.05 . 1 . . . . 355 . . . 5971 1 625 . 1 1 62 62 ALA H H 1 7.748 0.02 . 1 . . . . 355 . . . 5971 1 626 . 1 1 62 62 ALA CA C 13 53.185 0.06 . 1 . . . . 355 . . . 5971 1 627 . 1 1 62 62 ALA HA H 1 4.130 0.02 . 1 . . . . 355 . . . 5971 1 628 . 1 1 62 62 ALA CB C 13 19.269 0.06 . 1 . . . . 355 . . . 5971 1 629 . 1 1 62 62 ALA HB1 H 1 1.322 0.02 . 1 . . . . 355 . . . 5971 1 630 . 1 1 62 62 ALA HB2 H 1 1.322 0.02 . 1 . . . . 355 . . . 5971 1 631 . 1 1 62 62 ALA HB3 H 1 1.322 0.02 . 1 . . . . 355 . . . 5971 1 632 . 1 1 62 62 ALA C C 13 177.266 0.06 . 1 . . . . 355 . . . 5971 1 633 . 1 1 63 63 MET N N 15 124.385 0.05 . 1 . . . . 356 . . . 5971 1 634 . 1 1 63 63 MET H H 1 8.155 0.02 . 1 . . . . 356 . . . 5971 1 635 . 1 1 63 63 MET CA C 13 54.180 0.06 . 1 . . . . 356 . . . 5971 1 636 . 1 1 63 63 MET HA H 1 4.708 0.02 . 1 . . . . 356 . . . 5971 1 637 . 1 1 63 63 MET CB C 13 32.722 0.06 . 1 . . . . 356 . . . 5971 1 638 . 1 1 63 63 MET HB3 H 1 2.001 0.02 . 2 . . . . 356 . . . 5971 1 639 . 1 1 63 63 MET HB2 H 1 2.027 0.02 . 2 . . . . 356 . . . 5971 1 640 . 1 1 63 63 MET CG C 13 31.889 0.06 . 1 . . . . 356 . . . 5971 1 641 . 1 1 63 63 MET HG2 H 1 2.442 0.02 . 2 . . . . 356 . . . 5971 1 642 . 1 1 63 63 MET C C 13 175.836 0.06 . 1 . . . . 356 . . . 5971 1 643 . 1 1 64 64 LEU N N 15 125.913 0.05 . 1 . . . . 357 . . . 5971 1 644 . 1 1 64 64 LEU H H 1 8.828 0.02 . 1 . . . . 357 . . . 5971 1 645 . 1 1 64 64 LEU CA C 13 56.034 0.06 . 1 . . . . 357 . . . 5971 1 646 . 1 1 64 64 LEU HA H 1 4.174 0.02 . 1 . . . . 357 . . . 5971 1 647 . 1 1 64 64 LEU CB C 13 41.125 0.06 . 1 . . . . 357 . . . 5971 1 648 . 1 1 64 64 LEU HB3 H 1 1.536 0.02 . 2 . . . . 357 . . . 5971 1 649 . 1 1 64 64 LEU HB2 H 1 1.758 0.02 . 2 . . . . 357 . . . 5971 1 650 . 1 1 64 64 LEU CG C 13 25.695 0.06 . 1 . . . . 357 . . . 5971 1 651 . 1 1 64 64 LEU HG H 1 1.747 0.02 . 1 . . . . 357 . . . 5971 1 652 . 1 1 64 64 LEU CD1 C 13 27.462 0.06 . 2 . . . . 357 . . . 5971 1 653 . 1 1 64 64 LEU HD11 H 1 0.941 0.02 . 2 . . . . 357 . . . 5971 1 654 . 1 1 64 64 LEU HD12 H 1 0.941 0.02 . 2 . . . . 357 . . . 5971 1 655 . 1 1 64 64 LEU HD13 H 1 0.941 0.02 . 2 . . . . 357 . . . 5971 1 656 . 1 1 64 64 LEU CD2 C 13 23.768 0.06 . 2 . . . . 357 . . . 5971 1 657 . 1 1 64 64 LEU HD21 H 1 0.750 0.02 . 2 . . . . 357 . . . 5971 1 658 . 1 1 64 64 LEU HD22 H 1 0.750 0.02 . 2 . . . . 357 . . . 5971 1 659 . 1 1 64 64 LEU HD23 H 1 0.750 0.02 . 2 . . . . 357 . . . 5971 1 660 . 1 1 64 64 LEU C C 13 176.482 0.06 . 1 . . . . 357 . . . 5971 1 661 . 1 1 65 65 ILE N N 15 126.364 0.05 . 1 . . . . 358 . . . 5971 1 662 . 1 1 65 65 ILE H H 1 8.632 0.02 . 1 . . . . 358 . . . 5971 1 663 . 1 1 65 65 ILE CA C 13 61.199 0.06 . 1 . . . . 358 . . . 5971 1 664 . 1 1 65 65 ILE HA H 1 4.004 0.02 . 1 . . . . 358 . . . 5971 1 665 . 1 1 65 65 ILE CB C 13 37.666 0.06 . 1 . . . . 358 . . . 5971 1 666 . 1 1 65 65 ILE HB H 1 1.491 0.02 . 1 . . . . 358 . . . 5971 1 667 . 1 1 65 65 ILE CG1 C 13 28.880 0.06 . 2 . . . . 358 . . . 5971 1 668 . 1 1 65 65 ILE HG13 H 1 1.367 0.02 . 2 . . . . 358 . . . 5971 1 669 . 1 1 65 65 ILE HG12 H 1 1.501 0.02 . 2 . . . . 358 . . . 5971 1 670 . 1 1 65 65 ILE CD1 C 13 11.207 0.06 . 1 . . . . 358 . . . 5971 1 671 . 1 1 65 65 ILE HD11 H 1 0.763 0.02 . 1 . . . . 358 . . . 5971 1 672 . 1 1 65 65 ILE HD12 H 1 0.763 0.02 . 1 . . . . 358 . . . 5971 1 673 . 1 1 65 65 ILE HD13 H 1 0.763 0.02 . 1 . . . . 358 . . . 5971 1 674 . 1 1 65 65 ILE CG2 C 13 17.408 0.06 . 2 . . . . 358 . . . 5971 1 675 . 1 1 65 65 ILE HG21 H 1 0.896 0.02 . 1 . . . . 358 . . . 5971 1 676 . 1 1 65 65 ILE HG22 H 1 0.896 0.02 . 1 . . . . 358 . . . 5971 1 677 . 1 1 65 65 ILE HG23 H 1 0.896 0.02 . 1 . . . . 358 . . . 5971 1 678 . 1 1 65 65 ILE C C 13 177.557 0.06 . 1 . . . . 358 . . . 5971 1 679 . 1 1 66 66 THR N N 15 111.890 0.05 . 1 . . . . 359 . . . 5971 1 680 . 1 1 66 66 THR H H 1 7.463 0.02 . 1 . . . . 359 . . . 5971 1 681 . 1 1 66 66 THR CA C 13 56.873 0.06 . 1 . . . . 359 . . . 5971 1 682 . 1 1 66 66 THR HA H 1 4.660 0.02 . 1 . . . . 359 . . . 5971 1 683 . 1 1 66 66 THR CB C 13 70.712 0.06 . 1 . . . . 359 . . . 5971 1 684 . 1 1 66 66 THR HB H 1 4.350 0.02 . 1 . . . . 359 . . . 5971 1 685 . 1 1 66 66 THR HG21 H 1 1.410 0.02 . 1 . . . . 359 . . . 5971 1 686 . 1 1 66 66 THR HG22 H 1 1.410 0.02 . 1 . . . . 359 . . . 5971 1 687 . 1 1 66 66 THR HG23 H 1 1.410 0.02 . 1 . . . . 359 . . . 5971 1 688 . 1 1 67 67 PRO CA C 13 63.023 0.06 . 1 . . . . 360 . . . 5971 1 689 . 1 1 67 67 PRO HA H 1 4.259 0.02 . 1 . . . . 360 . . . 5971 1 690 . 1 1 67 67 PRO CB C 13 32.399 0.06 . 1 . . . . 360 . . . 5971 1 691 . 1 1 67 67 PRO HB3 H 1 1.870 0.02 . 2 . . . . 360 . . . 5971 1 692 . 1 1 67 67 PRO HB2 H 1 2.266 0.02 . 2 . . . . 360 . . . 5971 1 693 . 1 1 67 67 PRO CG C 13 27.145 0.06 . 1 . . . . 360 . . . 5971 1 694 . 1 1 67 67 PRO HG3 H 1 1.903 0.02 . 2 . . . . 360 . . . 5971 1 695 . 1 1 67 67 PRO HG2 H 1 2.031 0.02 . 2 . . . . 360 . . . 5971 1 696 . 1 1 67 67 PRO CD C 13 51.297 0.06 . 1 . . . . 360 . . . 5971 1 697 . 1 1 67 67 PRO HD3 H 1 3.728 0.02 . 2 . . . . 360 . . . 5971 1 698 . 1 1 67 67 PRO HD2 H 1 4.097 0.02 . 2 . . . . 360 . . . 5971 1 699 . 1 1 67 67 PRO C C 13 176.489 0.06 . 1 . . . . 360 . . . 5971 1 700 . 1 1 68 68 ASN N N 15 115.333 0.05 . 1 . . . . 361 . . . 5971 1 701 . 1 1 68 68 ASN H H 1 8.669 0.02 . 1 . . . . 361 . . . 5971 1 702 . 1 1 68 68 ASN CA C 13 52.907 0.06 . 1 . . . . 361 . . . 5971 1 703 . 1 1 68 68 ASN HA H 1 4.525 0.02 . 1 . . . . 361 . . . 5971 1 704 . 1 1 68 68 ASN CB C 13 39.400 0.06 . 1 . . . . 361 . . . 5971 1 705 . 1 1 68 68 ASN HB3 H 1 2.568 0.02 . 2 . . . . 361 . . . 5971 1 706 . 1 1 68 68 ASN HB2 H 1 2.699 0.02 . 2 . . . . 361 . . . 5971 1 707 . 1 1 68 68 ASN ND2 N 15 112.843 0.05 . 1 . . . . 361 . . . 5971 1 708 . 1 1 68 68 ASN HD21 H 1 6.542 0.02 . 2 . . . . 361 . . . 5971 1 709 . 1 1 68 68 ASN HD22 H 1 7.606 0.02 . 2 . . . . 361 . . . 5971 1 710 . 1 1 69 69 PRO CA C 13 63.986 0.06 . 1 . . . . 362 . . . 5971 1 711 . 1 1 69 69 PRO HA H 1 4.507 0.02 . 1 . . . . 362 . . . 5971 1 712 . 1 1 69 69 PRO CB C 13 31.692 0.06 . 1 . . . . 362 . . . 5971 1 713 . 1 1 69 69 PRO HB3 H 1 1.894 0.02 . 2 . . . . 362 . . . 5971 1 714 . 1 1 69 69 PRO HB2 H 1 2.138 0.02 . 2 . . . . 362 . . . 5971 1 715 . 1 1 69 69 PRO CG C 13 28.031 0.06 . 1 . . . . 362 . . . 5971 1 716 . 1 1 69 69 PRO HG3 H 1 1.789 0.02 . 2 . . . . 362 . . . 5971 1 717 . 1 1 69 69 PRO HG2 H 1 2.074 0.02 . 2 . . . . 362 . . . 5971 1 718 . 1 1 69 69 PRO CD C 13 49.631 0.06 . 1 . . . . 362 . . . 5971 1 719 . 1 1 69 69 PRO HD3 H 1 3.632 0.02 . 2 . . . . 362 . . . 5971 1 720 . 1 1 69 69 PRO HD2 H 1 3.881 0.02 . 2 . . . . 362 . . . 5971 1 721 . 1 1 69 69 PRO C C 13 177.235 0.06 . 1 . . . . 362 . . . 5971 1 722 . 1 1 70 70 THR N N 15 117.155 0.05 . 1 . . . . 363 . . . 5971 1 723 . 1 1 70 70 THR H H 1 8.483 0.02 . 1 . . . . 363 . . . 5971 1 724 . 1 1 70 70 THR CA C 13 60.681 0.06 . 1 . . . . 363 . . . 5971 1 725 . 1 1 70 70 THR HA H 1 4.964 0.02 . 1 . . . . 363 . . . 5971 1 726 . 1 1 70 70 THR CB C 13 72.670 0.06 . 1 . . . . 363 . . . 5971 1 727 . 1 1 70 70 THR HB H 1 4.068 0.02 . 1 . . . . 363 . . . 5971 1 728 . 1 1 70 70 THR CG2 C 13 21.883 0.06 . 1 . . . . 363 . . . 5971 1 729 . 1 1 70 70 THR HG21 H 1 1.002 0.02 . 1 . . . . 363 . . . 5971 1 730 . 1 1 70 70 THR HG22 H 1 1.002 0.02 . 1 . . . . 363 . . . 5971 1 731 . 1 1 70 70 THR HG23 H 1 1.002 0.02 . 1 . . . . 363 . . . 5971 1 732 . 1 1 70 70 THR C C 13 174.208 0.06 . 1 . . . . 363 . . . 5971 1 733 . 1 1 71 71 MET N N 15 118.496 0.05 . 1 . . . . 364 . . . 5971 1 734 . 1 1 71 71 MET H H 1 8.699 0.02 . 1 . . . . 364 . . . 5971 1 735 . 1 1 71 71 MET CA C 13 53.314 0.06 . 1 . . . . 364 . . . 5971 1 736 . 1 1 71 71 MET HA H 1 5.069 0.02 . 1 . . . . 364 . . . 5971 1 737 . 1 1 71 71 MET CB C 13 29.954 0.06 . 1 . . . . 364 . . . 5971 1 738 . 1 1 71 71 MET HB3 H 1 1.616 0.02 . 2 . . . . 364 . . . 5971 1 739 . 1 1 71 71 MET HB2 H 1 1.974 0.02 . 2 . . . . 364 . . . 5971 1 740 . 1 1 71 71 MET CG C 13 30.207 0.06 . 1 . . . . 364 . . . 5971 1 741 . 1 1 71 71 MET HG2 H 1 2.125 0.02 . 2 . . . . 364 . . . 5971 1 742 . 1 1 71 71 MET C C 13 175.605 0.06 . 1 . . . . 364 . . . 5971 1 743 . 1 1 72 72 GLU N N 15 121.393 0.05 . 1 . . . . 365 . . . 5971 1 744 . 1 1 72 72 GLU H H 1 8.327 0.02 . 1 . . . . 365 . . . 5971 1 745 . 1 1 72 72 GLU CA C 13 54.027 0.06 . 1 . . . . 365 . . . 5971 1 746 . 1 1 72 72 GLU HA H 1 4.699 0.02 . 1 . . . . 365 . . . 5971 1 747 . 1 1 72 72 GLU CB C 13 31.844 0.06 . 1 . . . . 365 . . . 5971 1 748 . 1 1 72 72 GLU HB3 H 1 1.664 0.02 . 2 . . . . 365 . . . 5971 1 749 . 1 1 72 72 GLU HB2 H 1 2.324 0.02 . 2 . . . . 365 . . . 5971 1 750 . 1 1 72 72 GLU CG C 13 35.097 0.06 . 1 . . . . 365 . . . 5971 1 751 . 1 1 72 72 GLU HG3 H 1 2.222 0.02 . 2 . . . . 365 . . . 5971 1 752 . 1 1 72 72 GLU HG2 H 1 2.373 0.02 . 2 . . . . 365 . . . 5971 1 753 . 1 1 72 72 GLU C C 13 176.804 0.06 . 1 . . . . 365 . . . 5971 1 754 . 1 1 73 73 ASN N N 15 120.987 0.05 . 1 . . . . 366 . . . 5971 1 755 . 1 1 73 73 ASN H H 1 9.595 0.02 . 1 . . . . 366 . . . 5971 1 756 . 1 1 73 73 ASN CA C 13 56.989 0.06 . 1 . . . . 366 . . . 5971 1 757 . 1 1 73 73 ASN HA H 1 4.323 0.02 . 1 . . . . 366 . . . 5971 1 758 . 1 1 73 73 ASN CB C 13 37.694 0.06 . 1 . . . . 366 . . . 5971 1 759 . 1 1 73 73 ASN HB2 H 1 2.717 0.02 . 2 . . . . 366 . . . 5971 1 760 . 1 1 73 73 ASN CG C 13 175.542 0.06 . 1 . . . . 366 . . . 5971 1 761 . 1 1 73 73 ASN ND2 N 15 111.405 0.05 . 1 . . . . 366 . . . 5971 1 762 . 1 1 73 73 ASN HD21 H 1 6.803 0.02 . 2 . . . . 366 . . . 5971 1 763 . 1 1 73 73 ASN HD22 H 1 7.516 0.02 . 2 . . . . 366 . . . 5971 1 764 . 1 1 73 73 ASN C C 13 176.083 0.06 . 1 . . . . 366 . . . 5971 1 765 . 1 1 74 74 ASN N N 15 114.113 0.05 . 1 . . . . 367 . . . 5971 1 766 . 1 1 74 74 ASN H H 1 8.202 0.02 . 1 . . . . 367 . . . 5971 1 767 . 1 1 74 74 ASN CA C 13 52.542 0.06 . 1 . . . . 367 . . . 5971 1 768 . 1 1 74 74 ASN HA H 1 4.842 0.02 . 1 . . . . 367 . . . 5971 1 769 . 1 1 74 74 ASN CB C 13 39.031 0.06 . 1 . . . . 367 . . . 5971 1 770 . 1 1 74 74 ASN HB2 H 1 2.826 0.02 . 2 . . . . 367 . . . 5971 1 771 . 1 1 74 74 ASN CG C 13 177.870 0.06 . 1 . . . . 367 . . . 5971 1 772 . 1 1 74 74 ASN ND2 N 15 112.408 0.05 . 1 . . . . 367 . . . 5971 1 773 . 1 1 74 74 ASN HD21 H 1 6.860 0.02 . 2 . . . . 367 . . . 5971 1 774 . 1 1 74 74 ASN HD22 H 1 7.576 0.02 . 2 . . . . 367 . . . 5971 1 775 . 1 1 74 74 ASN C C 13 174.721 0.06 . 1 . . . . 367 . . . 5971 1 776 . 1 1 75 75 GLY N N 15 107.103 0.05 . 1 . . . . 368 . . . 5971 1 777 . 1 1 75 75 GLY H H 1 7.449 0.02 . 1 . . . . 368 . . . 5971 1 778 . 1 1 75 75 GLY CA C 13 45.714 0.06 . 1 . . . . 368 . . . 5971 1 779 . 1 1 75 75 GLY HA3 H 1 4.099 0.02 . 2 . . . . 368 . . . 5971 1 780 . 1 1 75 75 GLY HA2 H 1 4.303 0.02 . 2 . . . . 368 . . . 5971 1 781 . 1 1 75 75 GLY C C 13 172.538 0.06 . 1 . . . . 368 . . . 5971 1 782 . 1 1 76 76 GLY N N 15 108.343 0.05 . 1 . . . . 369 . . . 5971 1 783 . 1 1 76 76 GLY H H 1 8.451 0.02 . 1 . . . . 369 . . . 5971 1 784 . 1 1 76 76 GLY CA C 13 44.469 0.06 . 1 . . . . 369 . . . 5971 1 785 . 1 1 76 76 GLY HA3 H 1 4.127 0.02 . 2 . . . . 369 . . . 5971 1 786 . 1 1 76 76 GLY HA2 H 1 5.055 0.02 . 2 . . . . 369 . . . 5971 1 787 . 1 1 76 76 GLY C C 13 175.279 0.06 . 1 . . . . 369 . . . 5971 1 788 . 1 1 77 77 GLY N N 15 107.788 0.05 . 1 . . . . 370 . . . 5971 1 789 . 1 1 77 77 GLY H H 1 8.904 0.02 . 1 . . . . 370 . . . 5971 1 790 . 1 1 77 77 GLY CA C 13 46.071 0.06 . 1 . . . . 370 . . . 5971 1 791 . 1 1 77 77 GLY HA3 H 1 3.567 0.02 . 2 . . . . 370 . . . 5971 1 792 . 1 1 77 77 GLY HA2 H 1 4.695 0.02 . 2 . . . . 370 . . . 5971 1 793 . 1 1 77 77 GLY C C 13 173.360 0.06 . 1 . . . . 370 . . . 5971 1 794 . 1 1 78 78 PHE N N 15 122.312 0.05 . 1 . . . . 371 . . . 5971 1 795 . 1 1 78 78 PHE H H 1 8.116 0.02 . 1 . . . . 371 . . . 5971 1 796 . 1 1 78 78 PHE CA C 13 58.181 0.06 . 1 . . . . 371 . . . 5971 1 797 . 1 1 78 78 PHE HA H 1 5.098 0.02 . 1 . . . . 371 . . . 5971 1 798 . 1 1 78 78 PHE CB C 13 39.960 0.06 . 1 . . . . 371 . . . 5971 1 799 . 1 1 78 78 PHE HB2 H 1 3.086 0.02 . 2 . . . . 371 . . . 5971 1 800 . 1 1 78 78 PHE C C 13 174.876 0.06 . 1 . . . . 371 . . . 5971 1 801 . 1 1 79 79 ILE N N 15 127.497 0.05 . 1 . . . . 372 . . . 5971 1 802 . 1 1 79 79 ILE H H 1 7.959 0.02 . 1 . . . . 372 . . . 5971 1 803 . 1 1 79 79 ILE CA C 13 60.179 0.06 . 1 . . . . 372 . . . 5971 1 804 . 1 1 79 79 ILE HA H 1 4.306 0.02 . 1 . . . . 372 . . . 5971 1 805 . 1 1 79 79 ILE CB C 13 42.183 0.06 . 1 . . . . 372 . . . 5971 1 806 . 1 1 79 79 ILE HB H 1 1.249 0.02 . 1 . . . . 372 . . . 5971 1 807 . 1 1 79 79 ILE CG1 C 13 27.185 0.06 . 2 . . . . 372 . . . 5971 1 808 . 1 1 79 79 ILE HG13 H 1 1.250 0.02 . 2 . . . . 372 . . . 5971 1 809 . 1 1 79 79 ILE HG12 H 1 1.507 0.02 . 2 . . . . 372 . . . 5971 1 810 . 1 1 79 79 ILE CD1 C 13 14.890 0.06 . 1 . . . . 372 . . . 5971 1 811 . 1 1 79 79 ILE HD11 H 1 0.596 0.02 . 1 . . . . 372 . . . 5971 1 812 . 1 1 79 79 ILE HD12 H 1 0.596 0.02 . 1 . . . . 372 . . . 5971 1 813 . 1 1 79 79 ILE HD13 H 1 0.596 0.02 . 1 . . . . 372 . . . 5971 1 814 . 1 1 79 79 ILE CG2 C 13 18.752 0.06 . 2 . . . . 372 . . . 5971 1 815 . 1 1 79 79 ILE HG21 H 1 0.597 0.02 . 1 . . . . 372 . . . 5971 1 816 . 1 1 79 79 ILE HG22 H 1 0.597 0.02 . 1 . . . . 372 . . . 5971 1 817 . 1 1 79 79 ILE HG23 H 1 0.597 0.02 . 1 . . . . 372 . . . 5971 1 818 . 1 1 79 79 ILE C C 13 172.315 0.06 . 1 . . . . 372 . . . 5971 1 819 . 1 1 80 80 GLU N N 15 126.341 0.05 . 1 . . . . 373 . . . 5971 1 820 . 1 1 80 80 GLU H H 1 8.192 0.02 . 1 . . . . 373 . . . 5971 1 821 . 1 1 80 80 GLU CA C 13 53.654 0.06 . 1 . . . . 373 . . . 5971 1 822 . 1 1 80 80 GLU HA H 1 5.304 0.02 . 1 . . . . 373 . . . 5971 1 823 . 1 1 80 80 GLU CB C 13 32.651 0.06 . 1 . . . . 373 . . . 5971 1 824 . 1 1 80 80 GLU HB3 H 1 1.847 0.02 . 2 . . . . 373 . . . 5971 1 825 . 1 1 80 80 GLU HB2 H 1 1.861 0.02 . 2 . . . . 373 . . . 5971 1 826 . 1 1 80 80 GLU CG C 13 35.627 0.06 . 1 . . . . 373 . . . 5971 1 827 . 1 1 80 80 GLU HG3 H 1 1.867 0.02 . 2 . . . . 373 . . . 5971 1 828 . 1 1 80 80 GLU HG2 H 1 2.185 0.02 . 2 . . . . 373 . . . 5971 1 829 . 1 1 80 80 GLU C C 13 175.562 0.06 . 1 . . . . 373 . . . 5971 1 830 . 1 1 81 81 MET N N 15 123.007 0.05 . 1 . . . . 374 . . . 5971 1 831 . 1 1 81 81 MET H H 1 9.291 0.02 . 1 . . . . 374 . . . 5971 1 832 . 1 1 81 81 MET CA C 13 54.125 0.06 . 1 . . . . 374 . . . 5971 1 833 . 1 1 81 81 MET HA H 1 5.353 0.02 . 1 . . . . 374 . . . 5971 1 834 . 1 1 81 81 MET CB C 13 37.869 0.06 . 1 . . . . 374 . . . 5971 1 835 . 1 1 81 81 MET HB3 H 1 1.561 0.02 . 2 . . . . 374 . . . 5971 1 836 . 1 1 81 81 MET HB2 H 1 1.917 0.02 . 2 . . . . 374 . . . 5971 1 837 . 1 1 81 81 MET CG C 13 29.335 0.06 . 1 . . . . 374 . . . 5971 1 838 . 1 1 81 81 MET HG3 H 1 1.760 0.02 . 2 . . . . 374 . . . 5971 1 839 . 1 1 81 81 MET HG2 H 1 2.079 0.02 . 2 . . . . 374 . . . 5971 1 840 . 1 1 81 81 MET C C 13 171.995 0.06 . 1 . . . . 374 . . . 5971 1 841 . 1 1 82 82 GLN N N 15 121.571 0.05 . 1 . . . . 375 . . . 5971 1 842 . 1 1 82 82 GLN H H 1 9.249 0.02 . 1 . . . . 375 . . . 5971 1 843 . 1 1 82 82 GLN CA C 13 54.551 0.06 . 1 . . . . 375 . . . 5971 1 844 . 1 1 82 82 GLN HA H 1 4.934 0.02 . 1 . . . . 375 . . . 5971 1 845 . 1 1 82 82 GLN CB C 13 32.155 0.06 . 1 . . . . 375 . . . 5971 1 846 . 1 1 82 82 GLN HB3 H 1 1.874 0.02 . 2 . . . . 375 . . . 5971 1 847 . 1 1 82 82 GLN HB2 H 1 2.065 0.02 . 2 . . . . 375 . . . 5971 1 848 . 1 1 82 82 GLN CG C 13 34.873 0.06 . 1 . . . . 375 . . . 5971 1 849 . 1 1 82 82 GLN HG2 H 1 2.370 0.02 . 2 . . . . 375 . . . 5971 1 850 . 1 1 82 82 GLN CD C 13 179.493 0.06 . 1 . . . . 375 . . . 5971 1 851 . 1 1 82 82 GLN NE2 N 15 111.584 0.05 . 1 . . . . 375 . . . 5971 1 852 . 1 1 82 82 GLN HE21 H 1 6.766 0.02 . 2 . . . . 375 . . . 5971 1 853 . 1 1 82 82 GLN HE22 H 1 7.467 0.02 . 2 . . . . 375 . . . 5971 1 854 . 1 1 82 82 GLN C C 13 174.297 0.06 . 1 . . . . 375 . . . 5971 1 855 . 1 1 83 83 LEU N N 15 125.337 0.05 . 1 . . . . 376 . . . 5971 1 856 . 1 1 83 83 LEU H H 1 8.634 0.02 . 1 . . . . 376 . . . 5971 1 857 . 1 1 83 83 LEU CA C 13 51.458 0.06 . 1 . . . . 376 . . . 5971 1 858 . 1 1 83 83 LEU CB C 13 44.306 0.06 . 1 . . . . 376 . . . 5971 1 859 . 1 1 85 85 PRO CA C 13 62.879 0.06 . 1 . . . . 378 . . . 5971 1 860 . 1 1 85 85 PRO HA H 1 3.817 0.02 . 1 . . . . 378 . . . 5971 1 861 . 1 1 85 85 PRO CB C 13 32.333 0.06 . 1 . . . . 378 . . . 5971 1 862 . 1 1 85 85 PRO HB3 H 1 1.709 0.02 . 2 . . . . 378 . . . 5971 1 863 . 1 1 85 85 PRO HB2 H 1 2.040 0.02 . 2 . . . . 378 . . . 5971 1 864 . 1 1 85 85 PRO CG C 13 27.879 0.06 . 1 . . . . 378 . . . 5971 1 865 . 1 1 85 85 PRO HG3 H 1 1.886 0.02 . 2 . . . . 378 . . . 5971 1 866 . 1 1 85 85 PRO HG2 H 1 2.038 0.02 . 2 . . . . 378 . . . 5971 1 867 . 1 1 85 85 PRO CD C 13 50.206 0.06 . 1 . . . . 378 . . . 5971 1 868 . 1 1 85 85 PRO HD3 H 1 3.498 0.02 . 2 . . . . 378 . . . 5971 1 869 . 1 1 85 85 PRO HD2 H 1 3.764 0.02 . 2 . . . . 378 . . . 5971 1 870 . 1 1 85 85 PRO C C 13 176.993 0.06 . 1 . . . . 378 . . . 5971 1 871 . 1 1 86 86 GLY N N 15 110.856 0.05 . 1 . . . . 379 . . . 5971 1 872 . 1 1 86 86 GLY H H 1 8.788 0.02 . 1 . . . . 379 . . . 5971 1 873 . 1 1 86 86 GLY CA C 13 43.514 0.06 . 1 . . . . 379 . . . 5971 1 874 . 1 1 86 86 GLY HA3 H 1 3.325 0.02 . 2 . . . . 379 . . . 5971 1 875 . 1 1 86 86 GLY HA2 H 1 4.511 0.02 . 2 . . . . 379 . . . 5971 1 876 . 1 1 86 86 GLY C C 13 172.519 0.06 . 1 . . . . 379 . . . 5971 1 877 . 1 1 87 87 ASP N N 15 120.009 0.05 . 1 . . . . 380 . . . 5971 1 878 . 1 1 87 87 ASP H H 1 8.398 0.02 . 1 . . . . 380 . . . 5971 1 879 . 1 1 87 87 ASP CA C 13 55.218 0.06 . 1 . . . . 380 . . . 5971 1 880 . 1 1 87 87 ASP HA H 1 4.739 0.02 . 1 . . . . 380 . . . 5971 1 881 . 1 1 87 87 ASP CB C 13 41.608 0.06 . 1 . . . . 380 . . . 5971 1 882 . 1 1 87 87 ASP HB3 H 1 2.530 0.02 . 2 . . . . 380 . . . 5971 1 883 . 1 1 87 87 ASP HB2 H 1 2.675 0.02 . 2 . . . . 380 . . . 5971 1 884 . 1 1 87 87 ASP C C 13 175.077 0.06 . 1 . . . . 380 . . . 5971 1 885 . 1 1 88 88 ASN N N 15 123.154 0.05 . 1 . . . . 381 . . . 5971 1 886 . 1 1 88 88 ASN H H 1 8.874 0.02 . 1 . . . . 381 . . . 5971 1 887 . 1 1 88 88 ASN CA C 13 52.662 0.06 . 1 . . . . 381 . . . 5971 1 888 . 1 1 88 88 ASN HA H 1 5.809 0.02 . 1 . . . . 381 . . . 5971 1 889 . 1 1 88 88 ASN CB C 13 44.819 0.06 . 1 . . . . 381 . . . 5971 1 890 . 1 1 88 88 ASN HB3 H 1 2.324 0.02 . 2 . . . . 381 . . . 5971 1 891 . 1 1 88 88 ASN HB2 H 1 2.862 0.02 . 2 . . . . 381 . . . 5971 1 892 . 1 1 88 88 ASN CG C 13 177.711 0.06 . 1 . . . . 381 . . . 5971 1 893 . 1 1 88 88 ASN ND2 N 15 112.973 0.05 . 1 . . . . 381 . . . 5971 1 894 . 1 1 88 88 ASN HD21 H 1 6.636 0.02 . 2 . . . . 381 . . . 5971 1 895 . 1 1 88 88 ASN HD22 H 1 7.605 0.02 . 2 . . . . 381 . . . 5971 1 896 . 1 1 88 88 ASN C C 13 174.701 0.06 . 1 . . . . 381 . . . 5971 1 897 . 1 1 89 89 ILE N N 15 121.853 0.05 . 1 . . . . 382 . . . 5971 1 898 . 1 1 89 89 ILE H H 1 9.617 0.02 . 1 . . . . 382 . . . 5971 1 899 . 1 1 89 89 ILE CA C 13 61.900 0.06 . 1 . . . . 382 . . . 5971 1 900 . 1 1 89 89 ILE HA H 1 4.463 0.02 . 1 . . . . 382 . . . 5971 1 901 . 1 1 89 89 ILE CB C 13 40.043 0.06 . 1 . . . . 382 . . . 5971 1 902 . 1 1 89 89 ILE HB H 1 1.685 0.02 . 1 . . . . 382 . . . 5971 1 903 . 1 1 89 89 ILE CG1 C 13 28.053 0.06 . 2 . . . . 382 . . . 5971 1 904 . 1 1 89 89 ILE HG12 H 1 1.680 0.02 . 2 . . . . 382 . . . 5971 1 905 . 1 1 89 89 ILE CD1 C 13 13.477 0.06 . 1 . . . . 382 . . . 5971 1 906 . 1 1 89 89 ILE HD11 H 1 0.312 0.02 . 1 . . . . 382 . . . 5971 1 907 . 1 1 89 89 ILE HD12 H 1 0.312 0.02 . 1 . . . . 382 . . . 5971 1 908 . 1 1 89 89 ILE HD13 H 1 0.312 0.02 . 1 . . . . 382 . . . 5971 1 909 . 1 1 89 89 ILE CG2 C 13 18.338 0.06 . 2 . . . . 382 . . . 5971 1 910 . 1 1 89 89 ILE HG21 H 1 0.758 0.02 . 1 . . . . 382 . . . 5971 1 911 . 1 1 89 89 ILE HG22 H 1 0.758 0.02 . 1 . . . . 382 . . . 5971 1 912 . 1 1 89 89 ILE HG23 H 1 0.758 0.02 . 1 . . . . 382 . . . 5971 1 913 . 1 1 89 89 ILE C C 13 174.845 0.06 . 1 . . . . 382 . . . 5971 1 914 . 1 1 90 90 ILE N N 15 127.173 0.05 . 1 . . . . 383 . . . 5971 1 915 . 1 1 90 90 ILE H H 1 8.763 0.02 . 1 . . . . 383 . . . 5971 1 916 . 1 1 90 90 ILE CA C 13 61.550 0.06 . 1 . . . . 383 . . . 5971 1 917 . 1 1 90 90 ILE HA H 1 4.130 0.02 . 1 . . . . 383 . . . 5971 1 918 . 1 1 90 90 ILE CB C 13 40.901 0.06 . 1 . . . . 383 . . . 5971 1 919 . 1 1 90 90 ILE HB H 1 1.690 0.02 . 1 . . . . 383 . . . 5971 1 920 . 1 1 90 90 ILE CG1 C 13 28.145 0.06 . 2 . . . . 383 . . . 5971 1 921 . 1 1 90 90 ILE HG12 H 1 0.968 0.02 . 2 . . . . 383 . . . 5971 1 922 . 1 1 90 90 ILE CD1 C 13 15.034 0.06 . 1 . . . . 383 . . . 5971 1 923 . 1 1 90 90 ILE HD11 H 1 0.511 0.02 . 1 . . . . 383 . . . 5971 1 924 . 1 1 90 90 ILE HD12 H 1 0.511 0.02 . 1 . . . . 383 . . . 5971 1 925 . 1 1 90 90 ILE HD13 H 1 0.511 0.02 . 1 . . . . 383 . . . 5971 1 926 . 1 1 90 90 ILE CG2 C 13 17.526 0.06 . 2 . . . . 383 . . . 5971 1 927 . 1 1 90 90 ILE HG21 H 1 0.816 0.02 . 1 . . . . 383 . . . 5971 1 928 . 1 1 90 90 ILE HG22 H 1 0.816 0.02 . 1 . . . . 383 . . . 5971 1 929 . 1 1 90 90 ILE HG23 H 1 0.816 0.02 . 1 . . . . 383 . . . 5971 1 930 . 1 1 90 90 ILE C C 13 174.228 0.06 . 1 . . . . 383 . . . 5971 1 931 . 1 1 91 91 TYR N N 15 124.264 0.05 . 1 . . . . 384 . . . 5971 1 932 . 1 1 91 91 TYR H H 1 9.105 0.02 . 1 . . . . 384 . . . 5971 1 933 . 1 1 91 91 TYR CA C 13 56.769 0.06 . 1 . . . . 384 . . . 5971 1 934 . 1 1 91 91 TYR HA H 1 5.492 0.02 . 1 . . . . 384 . . . 5971 1 935 . 1 1 91 91 TYR CB C 13 41.448 0.06 . 1 . . . . 384 . . . 5971 1 936 . 1 1 91 91 TYR HB3 H 1 2.630 0.02 . 2 . . . . 384 . . . 5971 1 937 . 1 1 91 91 TYR HB2 H 1 3.138 0.02 . 2 . . . . 384 . . . 5971 1 938 . 1 1 91 91 TYR CE1 C 13 119.410 0.06 . 3 . . . . 384 . . . 5971 1 939 . 1 1 91 91 TYR HE1 H 1 6.700 0.02 . 3 . . . . 384 . . . 5971 1 940 . 1 1 91 91 TYR C C 13 175.670 0.06 . 1 . . . . 384 . . . 5971 1 941 . 1 1 92 92 VAL N N 15 122.978 0.05 . 1 . . . . 385 . . . 5971 1 942 . 1 1 92 92 VAL H H 1 8.445 0.02 . 1 . . . . 385 . . . 5971 1 943 . 1 1 92 92 VAL CA C 13 61.405 0.06 . 1 . . . . 385 . . . 5971 1 944 . 1 1 92 92 VAL HA H 1 3.937 0.02 . 1 . . . . 385 . . . 5971 1 945 . 1 1 92 92 VAL CB C 13 31.231 0.06 . 1 . . . . 385 . . . 5971 1 946 . 1 1 92 92 VAL HB H 1 1.188 0.02 . 1 . . . . 385 . . . 5971 1 947 . 1 1 92 92 VAL HG21 H 1 -0.408 0.02 . 2 . . . . 385 . . . 5971 1 948 . 1 1 92 92 VAL HG22 H 1 -0.408 0.02 . 2 . . . . 385 . . . 5971 1 949 . 1 1 92 92 VAL HG23 H 1 -0.408 0.02 . 2 . . . . 385 . . . 5971 1 950 . 1 1 92 92 VAL CG1 C 13 20.785 0.06 . 2 . . . . 385 . . . 5971 1 951 . 1 1 92 92 VAL HG11 H 1 0.458 0.02 . 2 . . . . 385 . . . 5971 1 952 . 1 1 92 92 VAL HG12 H 1 0.458 0.02 . 2 . . . . 385 . . . 5971 1 953 . 1 1 92 92 VAL HG13 H 1 0.458 0.02 . 2 . . . . 385 . . . 5971 1 954 . 1 1 92 92 VAL C C 13 175.191 0.06 . 1 . . . . 385 . . . 5971 1 955 . 1 1 93 93 GLY N N 15 110.616 0.05 . 1 . . . . 386 . . . 5971 1 956 . 1 1 93 93 GLY H H 1 7.937 0.02 . 1 . . . . 386 . . . 5971 1 957 . 1 1 93 93 GLY CA C 13 47.049 0.06 . 1 . . . . 386 . . . 5971 1 958 . 1 1 93 93 GLY HA3 H 1 3.600 0.02 . 2 . . . . 386 . . . 5971 1 959 . 1 1 93 93 GLY HA2 H 1 4.040 0.02 . 2 . . . . 386 . . . 5971 1 960 . 1 1 93 93 GLY C C 13 174.194 0.06 . 1 . . . . 386 . . . 5971 1 961 . 1 1 94 94 ASP N N 15 126.133 0.05 . 1 . . . . 387 . . . 5971 1 962 . 1 1 94 94 ASP H H 1 8.755 0.02 . 1 . . . . 387 . . . 5971 1 963 . 1 1 94 94 ASP CA C 13 55.375 0.06 . 1 . . . . 387 . . . 5971 1 964 . 1 1 94 94 ASP HA H 1 4.696 0.02 . 1 . . . . 387 . . . 5971 1 965 . 1 1 94 94 ASP CB C 13 41.247 0.06 . 1 . . . . 387 . . . 5971 1 966 . 1 1 94 94 ASP HB3 H 1 2.529 0.02 . 2 . . . . 387 . . . 5971 1 967 . 1 1 94 94 ASP HB2 H 1 2.841 0.02 . 2 . . . . 387 . . . 5971 1 968 . 1 1 94 94 ASP C C 13 177.634 0.06 . 1 . . . . 387 . . . 5971 1 969 . 1 1 95 95 LEU N N 15 124.709 0.05 . 1 . . . . 388 . . . 5971 1 970 . 1 1 95 95 LEU H H 1 8.163 0.02 . 1 . . . . 388 . . . 5971 1 971 . 1 1 95 95 LEU CA C 13 55.628 0.06 . 1 . . . . 388 . . . 5971 1 972 . 1 1 95 95 LEU HA H 1 4.204 0.02 . 1 . . . . 388 . . . 5971 1 973 . 1 1 95 95 LEU CB C 13 41.946 0.06 . 1 . . . . 388 . . . 5971 1 974 . 1 1 95 95 LEU HB3 H 1 1.404 0.02 . 2 . . . . 388 . . . 5971 1 975 . 1 1 95 95 LEU HB2 H 1 1.667 0.02 . 2 . . . . 388 . . . 5971 1 976 . 1 1 95 95 LEU CG C 13 26.140 0.06 . 1 . . . . 388 . . . 5971 1 977 . 1 1 95 95 LEU HG H 1 1.074 0.02 . 1 . . . . 388 . . . 5971 1 978 . 1 1 95 95 LEU CD1 C 13 23.546 0.06 . 2 . . . . 388 . . . 5971 1 979 . 1 1 95 95 LEU HD11 H 1 0.231 0.02 . 2 . . . . 388 . . . 5971 1 980 . 1 1 95 95 LEU HD12 H 1 0.231 0.02 . 2 . . . . 388 . . . 5971 1 981 . 1 1 95 95 LEU HD13 H 1 0.231 0.02 . 2 . . . . 388 . . . 5971 1 982 . 1 1 95 95 LEU HD21 H 1 -0.318 0.02 . 2 . . . . 388 . . . 5971 1 983 . 1 1 95 95 LEU HD22 H 1 -0.318 0.02 . 2 . . . . 388 . . . 5971 1 984 . 1 1 95 95 LEU HD23 H 1 -0.318 0.02 . 2 . . . . 388 . . . 5971 1 985 . 1 1 95 95 LEU C C 13 175.862 0.06 . 1 . . . . 388 . . . 5971 1 986 . 1 1 96 96 ASN N N 15 118.152 0.05 . 1 . . . . 389 . . . 5971 1 987 . 1 1 96 96 ASN H H 1 8.595 0.02 . 1 . . . . 389 . . . 5971 1 988 . 1 1 96 96 ASN CA C 13 51.676 0.06 . 1 . . . . 389 . . . 5971 1 989 . 1 1 96 96 ASN HA H 1 6.157 0.02 . 1 . . . . 389 . . . 5971 1 990 . 1 1 96 96 ASN CB C 13 43.410 0.06 . 1 . . . . 389 . . . 5971 1 991 . 1 1 96 96 ASN HB3 H 1 1.881 0.02 . 2 . . . . 389 . . . 5971 1 992 . 1 1 96 96 ASN HB2 H 1 2.379 0.02 . 2 . . . . 389 . . . 5971 1 993 . 1 1 96 96 ASN CG C 13 173.921 0.06 . 1 . . . . 389 . . . 5971 1 994 . 1 1 96 96 ASN ND2 N 15 111.633 0.05 . 1 . . . . 389 . . . 5971 1 995 . 1 1 96 96 ASN HD21 H 1 5.790 0.02 . 2 . . . . 389 . . . 5971 1 996 . 1 1 96 96 ASN HD22 H 1 6.716 0.02 . 2 . . . . 389 . . . 5971 1 997 . 1 1 96 96 ASN C C 13 175.334 0.06 . 1 . . . . 389 . . . 5971 1 998 . 1 1 97 97 HIS N N 15 119.352 0.05 . 1 . . . . 390 . . . 5971 1 999 . 1 1 97 97 HIS H H 1 8.827 0.02 . 1 . . . . 390 . . . 5971 1 1000 . 1 1 97 97 HIS CA C 13 56.968 0.06 . 1 . . . . 390 . . . 5971 1 1001 . 1 1 97 97 HIS HA H 1 4.538 0.02 . 1 . . . . 390 . . . 5971 1 1002 . 1 1 97 97 HIS CB C 13 34.581 0.06 . 1 . . . . 390 . . . 5971 1 1003 . 1 1 97 97 HIS HB3 H 1 2.520 0.02 . 2 . . . . 390 . . . 5971 1 1004 . 1 1 97 97 HIS HB2 H 1 3.042 0.02 . 2 . . . . 390 . . . 5971 1 1005 . 1 1 97 97 HIS CD2 C 13 119.790 0.06 . 1 . . . . 390 . . . 5971 1 1006 . 1 1 97 97 HIS HD2 H 1 7.450 0.02 . 3 . . . . 390 . . . 5971 1 1007 . 1 1 97 97 HIS C C 13 174.097 0.06 . 1 . . . . 390 . . . 5971 1 1008 . 1 1 98 98 GLN N N 15 127.791 0.05 . 1 . . . . 391 . . . 5971 1 1009 . 1 1 98 98 GLN H H 1 8.725 0.02 . 1 . . . . 391 . . . 5971 1 1010 . 1 1 98 98 GLN CA C 13 56.825 0.06 . 1 . . . . 391 . . . 5971 1 1011 . 1 1 98 98 GLN HA H 1 4.618 0.02 . 1 . . . . 391 . . . 5971 1 1012 . 1 1 98 98 GLN CB C 13 29.136 0.06 . 1 . . . . 391 . . . 5971 1 1013 . 1 1 98 98 GLN HB3 H 1 1.895 0.02 . 2 . . . . 391 . . . 5971 1 1014 . 1 1 98 98 GLN HB2 H 1 2.053 0.02 . 2 . . . . 391 . . . 5971 1 1015 . 1 1 98 98 GLN CG C 13 33.933 0.06 . 1 . . . . 391 . . . 5971 1 1016 . 1 1 98 98 GLN HG3 H 1 2.277 0.02 . 2 . . . . 391 . . . 5971 1 1017 . 1 1 98 98 GLN HG2 H 1 2.385 0.02 . 2 . . . . 391 . . . 5971 1 1018 . 1 1 98 98 GLN CD C 13 179.934 0.06 . 1 . . . . 391 . . . 5971 1 1019 . 1 1 98 98 GLN NE2 N 15 112.094 0.05 . 1 . . . . 391 . . . 5971 1 1020 . 1 1 98 98 GLN HE21 H 1 6.626 0.02 . 2 . . . . 391 . . . 5971 1 1021 . 1 1 98 98 GLN HE22 H 1 7.738 0.02 . 2 . . . . 391 . . . 5971 1 1022 . 1 1 98 98 GLN C C 13 175.562 0.06 . 1 . . . . 391 . . . 5971 1 1023 . 1 1 99 99 TRP N N 15 124.892 0.05 . 1 . . . . 392 . . . 5971 1 1024 . 1 1 99 99 TRP H H 1 9.004 0.02 . 1 . . . . 392 . . . 5971 1 1025 . 1 1 99 99 TRP CA C 13 57.221 0.06 . 1 . . . . 392 . . . 5971 1 1026 . 1 1 99 99 TRP HA H 1 4.784 0.02 . 1 . . . . 392 . . . 5971 1 1027 . 1 1 99 99 TRP CB C 13 33.211 0.06 . 1 . . . . 392 . . . 5971 1 1028 . 1 1 99 99 TRP HB3 H 1 2.686 0.02 . 2 . . . . 392 . . . 5971 1 1029 . 1 1 99 99 TRP HB2 H 1 2.972 0.02 . 2 . . . . 392 . . . 5971 1 1030 . 1 1 99 99 TRP NE1 N 15 129.112 0.05 . 1 . . . . 392 . . . 5971 1 1031 . 1 1 99 99 TRP HE1 H 1 10.084 0.02 . 2 . . . . 392 . . . 5971 1 1032 . 1 1 99 99 TRP C C 13 173.150 0.06 . 1 . . . . 392 . . . 5971 1 1033 . 1 1 100 100 PHE N N 15 130.416 0.05 . 1 . . . . 393 . . . 5971 1 1034 . 1 1 100 100 PHE H H 1 7.785 0.02 . 1 . . . . 393 . . . 5971 1 1035 . 1 1 100 100 PHE CA C 13 56.495 0.06 . 1 . . . . 393 . . . 5971 1 1036 . 1 1 100 100 PHE HA H 1 4.774 0.02 . 1 . . . . 393 . . . 5971 1 1037 . 1 1 100 100 PHE CB C 13 38.916 0.06 . 1 . . . . 393 . . . 5971 1 1038 . 1 1 100 100 PHE HB3 H 1 2.507 0.02 . 2 . . . . 393 . . . 5971 1 1039 . 1 1 100 100 PHE HB2 H 1 2.725 0.02 . 2 . . . . 393 . . . 5971 1 1040 . 1 1 100 100 PHE CD1 C 13 128.510 0.06 . 1 . . . . 393 . . . 5971 1 1041 . 1 1 100 100 PHE HD1 H 1 6.930 0.02 . 1 . . . . 393 . . . 5971 1 1042 . 1 1 100 100 PHE CD2 C 13 128.510 0.06 . 1 . . . . 393 . . . 5971 1 1043 . 1 1 100 100 PHE HD2 H 1 6.930 0.02 . 1 . . . . 393 . . . 5971 1 1044 . 1 1 100 100 PHE C C 13 173.045 0.06 . 1 . . . . 393 . . . 5971 1 1045 . 1 1 101 101 GLN N N 15 128.828 0.05 . 1 . . . . 394 . . . 5971 1 1046 . 1 1 101 101 GLN H H 1 8.401 0.02 . 1 . . . . 394 . . . 5971 1 1047 . 1 1 101 101 GLN CA C 13 52.945 0.06 . 1 . . . . 394 . . . 5971 1 1048 . 1 1 101 101 GLN HA H 1 4.245 0.02 . 1 . . . . 394 . . . 5971 1 1049 . 1 1 101 101 GLN CB C 13 29.575 0.06 . 1 . . . . 394 . . . 5971 1 1050 . 1 1 101 101 GLN HB3 H 1 1.710 0.02 . 2 . . . . 394 . . . 5971 1 1051 . 1 1 101 101 GLN HB2 H 1 2.009 0.02 . 2 . . . . 394 . . . 5971 1 1052 . 1 1 101 101 GLN CG C 13 32.485 0.06 . 1 . . . . 394 . . . 5971 1 1053 . 1 1 101 101 GLN HG3 H 1 2.104 0.02 . 2 . . . . 394 . . . 5971 1 1054 . 1 1 101 101 GLN HG2 H 1 2.300 0.02 . 2 . . . . 394 . . . 5971 1 1055 . 1 1 101 101 GLN NE2 N 15 116.534 0.05 . 1 . . . . 394 . . . 5971 1 1056 . 1 1 101 101 GLN HE21 H 1 7.181 0.02 . 2 . . . . 394 . . . 5971 1 1057 . 1 1 101 101 GLN HE22 H 1 7.558 0.02 . 2 . . . . 394 . . . 5971 1 1058 . 1 1 101 101 GLN C C 13 174.734 0.06 . 1 . . . . 394 . . . 5971 1 1059 . 1 1 102 102 LYS N N 15 129.603 0.05 . 1 . . . . 395 . . . 5971 1 1060 . 1 1 102 102 LYS H H 1 8.621 0.02 . 1 . . . . 395 . . . 5971 1 1061 . 1 1 102 102 LYS CA C 13 56.776 0.06 . 1 . . . . 395 . . . 5971 1 1062 . 1 1 102 102 LYS HA H 1 4.112 0.02 . 1 . . . . 395 . . . 5971 1 1063 . 1 1 102 102 LYS CB C 13 33.100 0.06 . 1 . . . . 395 . . . 5971 1 1064 . 1 1 102 102 LYS HB2 H 1 1.856 0.02 . 2 . . . . 395 . . . 5971 1 1065 . 1 1 102 102 LYS CG C 13 24.370 0.06 . 1 . . . . 395 . . . 5971 1 1066 . 1 1 102 102 LYS HG2 H 1 1.456 0.02 . 2 . . . . 395 . . . 5971 1 1067 . 1 1 102 102 LYS CD C 13 29.373 0.06 . 1 . . . . 395 . . . 5971 1 1068 . 1 1 102 102 LYS HD2 H 1 1.706 0.02 . 2 . . . . 395 . . . 5971 1 1069 . 1 1 102 102 LYS CE C 13 41.921 0.06 . 1 . . . . 395 . . . 5971 1 1070 . 1 1 102 102 LYS HE2 H 1 3.010 0.02 . 2 . . . . 395 . . . 5971 1 1071 . 1 1 102 102 LYS C C 13 175.987 0.06 . 1 . . . . 395 . . . 5971 1 1072 . 1 1 103 103 GLY N N 15 108.239 0.05 . 1 . . . . 396 . . . 5971 1 1073 . 1 1 103 103 GLY H H 1 8.356 0.02 . 1 . . . . 396 . . . 5971 1 1074 . 1 1 103 103 GLY CA C 13 44.726 0.06 . 1 . . . . 396 . . . 5971 1 1075 . 1 1 103 103 GLY HA2 H 1 4.027 0.02 . 2 . . . . 396 . . . 5971 1 1076 . 1 1 103 103 GLY C C 13 173.579 0.06 . 1 . . . . 396 . . . 5971 1 1077 . 1 1 104 104 SER N N 15 115.350 0.05 . 1 . . . . 397 . . . 5971 1 1078 . 1 1 104 104 SER H H 1 8.401 0.02 . 1 . . . . 397 . . . 5971 1 1079 . 1 1 104 104 SER CA C 13 58.185 0.06 . 1 . . . . 397 . . . 5971 1 1080 . 1 1 104 104 SER HA H 1 4.513 0.02 . 1 . . . . 397 . . . 5971 1 1081 . 1 1 104 104 SER CB C 13 64.087 0.06 . 1 . . . . 397 . . . 5971 1 1082 . 1 1 104 104 SER HB2 H 1 3.853 0.02 . 2 . . . . 397 . . . 5971 1 1083 . 1 1 104 104 SER C C 13 174.873 0.06 . 1 . . . . 397 . . . 5971 1 1084 . 1 1 105 105 SER N N 15 118.761 0.05 . 1 . . . . 398 . . . 5971 1 1085 . 1 1 105 105 SER H H 1 8.666 0.02 . 1 . . . . 398 . . . 5971 1 1086 . 1 1 105 105 SER CA C 13 58.471 0.06 . 1 . . . . 398 . . . 5971 1 1087 . 1 1 105 105 SER HA H 1 4.493 0.02 . 1 . . . . 398 . . . 5971 1 1088 . 1 1 105 105 SER CB C 13 63.772 0.06 . 1 . . . . 398 . . . 5971 1 1089 . 1 1 105 105 SER HB2 H 1 3.873 0.02 . 2 . . . . 398 . . . 5971 1 1090 . 1 1 105 105 SER C C 13 174.491 0.06 . 1 . . . . 398 . . . 5971 1 1091 . 1 1 106 106 ILE N N 15 121.955 0.05 . 1 . . . . 399 . . . 5971 1 1092 . 1 1 106 106 ILE H H 1 8.117 0.02 . 1 . . . . 399 . . . 5971 1 1093 . 1 1 106 106 ILE CA C 13 61.438 0.06 . 1 . . . . 399 . . . 5971 1 1094 . 1 1 106 106 ILE HA H 1 4.192 0.02 . 1 . . . . 399 . . . 5971 1 1095 . 1 1 106 106 ILE CB C 13 38.644 0.06 . 1 . . . . 399 . . . 5971 1 1096 . 1 1 106 106 ILE HB H 1 1.874 0.02 . 1 . . . . 399 . . . 5971 1 1097 . 1 1 106 106 ILE CG1 C 13 27.305 0.06 . 2 . . . . 399 . . . 5971 1 1098 . 1 1 106 106 ILE HG13 H 1 1.181 0.02 . 2 . . . . 399 . . . 5971 1 1099 . 1 1 106 106 ILE HG12 H 1 1.448 0.02 . 2 . . . . 399 . . . 5971 1 1100 . 1 1 106 106 ILE CD1 C 13 12.952 0.06 . 1 . . . . 399 . . . 5971 1 1101 . 1 1 106 106 ILE HD11 H 1 0.888 0.02 . 1 . . . . 399 . . . 5971 1 1102 . 1 1 106 106 ILE HD12 H 1 0.888 0.02 . 1 . . . . 399 . . . 5971 1 1103 . 1 1 106 106 ILE HD13 H 1 0.888 0.02 . 1 . . . . 399 . . . 5971 1 1104 . 1 1 106 106 ILE CG2 C 13 17.400 0.06 . 2 . . . . 399 . . . 5971 1 1105 . 1 1 106 106 ILE HG21 H 1 0.902 0.02 . 1 . . . . 399 . . . 5971 1 1106 . 1 1 106 106 ILE HG22 H 1 0.902 0.02 . 1 . . . . 399 . . . 5971 1 1107 . 1 1 106 106 ILE HG23 H 1 0.902 0.02 . 1 . . . . 399 . . . 5971 1 1108 . 1 1 106 106 ILE C C 13 176.729 0.06 . 1 . . . . 399 . . . 5971 1 1109 . 1 1 107 107 GLY N N 15 113.312 0.05 . 1 . . . . 400 . . . 5971 1 1110 . 1 1 107 107 GLY H H 1 8.455 0.02 . 1 . . . . 400 . . . 5971 1 1111 . 1 1 107 107 GLY CA C 13 45.480 0.06 . 1 . . . . 400 . . . 5971 1 1112 . 1 1 107 107 GLY HA2 H 1 3.923 0.02 . 2 . . . . 400 . . . 5971 1 1113 . 1 1 107 107 GLY C C 13 173.171 0.06 . 1 . . . . 400 . . . 5971 1 1114 . 1 1 108 108 ARG N N 15 125.644 0.05 . 1 . . . . 401 . . . 5971 1 1115 . 1 1 108 108 ARG H H 1 7.768 0.02 . 1 . . . . 401 . . . 5971 1 1116 . 1 1 108 108 ARG CA C 13 57.365 0.06 . 1 . . . . 401 . . . 5971 1 1117 . 1 1 108 108 ARG CB C 13 31.669 0.06 . 1 . . . . 401 . . . 5971 1 1118 . 1 1 108 108 ARG CG C 13 27.314 0.06 . 1 . . . . 401 . . . 5971 1 1119 . 1 1 108 108 ARG CD C 13 43.634 0.06 . 1 . . . . 401 . . . 5971 1 1120 . 1 1 108 108 ARG NE N 15 85.220 0.05 . 1 . . . . 401 . . . 5971 1 1121 . 1 1 108 108 ARG HE H 1 7.169 0.02 . 1 . . . . 401 . . . 5971 1 1122 . 1 1 108 108 ARG CZ C 13 159.570 0.06 . 1 . . . . 401 . . . 5971 1 stop_ save_