data_17942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17942 _Entry.Title ; 1H, 13C and 15N resonance assignment of a complex constisting of hDlg/SAP-97 residues 318-406 and HPV type 51 E6 protein residues 141-151 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-15 _Entry.Accession_date 2011-09-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Complex of SAP-97/hDlg (residues 318-406) with residues 141-151 of the E6 protein of HPV type 51 Chain1: SAP-97/hDlg (UniProtKB Entry 12959, residues 318-406) Chain2: HPV type 51 E6 protein (UniProtKB Entry 26554, residues 141-151) Chain2 residue 141 is pyroglutamic acid (PGL) ; _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 Andre Mischo . . . 17942 2 Oliver Ohlenschlaeger . . . 17942 3 Matthias Goerlach . . . 17942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 17942 '15N chemical shifts' 111 17942 '1H chemical shifts' 737 17942 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2011-09-15 update BMRB 'update entry citation' 17942 1 . . 2012-03-09 2011-09-15 original author 'original release' 17942 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15209 'hDlg in complex with a different peptide' 17942 PDB 2M3M 'BMRB Entry Tracking System' 17942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392342 _Citation.Full_citation . _Citation.Title 'NMR assignment of a PDZ domain in complex with a HPV51 E6 derived N-terminally pyroglutamic acid modified peptide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 47 _Citation.Page_last 49 _Citation.Year 2013 _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 Andre Mischo . . . 17942 1 2 Oliver Ohlenschlager . . . 17942 1 3 Ramadurai Ramachandran . . . 17942 1 4 Matthias Gorlach . . . 17942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17942 _Assembly.ID 1 _Assembly.Name 'Complex of hDlg and E6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PDZ domain' 1 $hDlg A . yes native no no . 'PDZ domain' . 17942 1 2 peptide 2 $E6_protein_fragment_of_HPV_type_51 B . yes native no no . 'Extended PDZ binding motif' . 17942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hDlg _Entity.Sf_category entity _Entity.Sf_framecode hDlg _Entity.Entry_ID 17942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hDlg _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 ; MEIKLIKGPKGLGFSIAGGV GNQHIPGDNSIYVTKIIEGG AAHKDGKLQIGDKLLAVNNV CLEEVTHEEAVTALKNTSDF VYLKVAKPTGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 318-406 of hDlg' _Entity.Polymer_author_seq_details 'Sequence starts with M318. Residues 407-411 represent chemical shifts from a linker and hexahistideine tag (starting with GSHH...)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ domain 2 of hDlg with hexahistidine tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 15209 . Disks_large_homolog_1 . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 17942 1 2 no BMRB 17373 . SAP97_PDZ2_polypeptide . . . . . 91.75 109 98.88 98.88 1.54e-53 . . . . 17942 1 3 no PDB 2I0L . "X-Ray Crystal Structure Of Sap97 Pdz2 Bound To The C- Terminal Peptide Of Hpv18 E6" . . . . . 85.57 84 98.80 100.00 9.08e-50 . . . . 17942 1 4 no PDB 2M3M . "Solution Structure Of A Complex Consisting Of Hdlg/sap-97 Residues 318-406 And Hpv51 Oncoprotein E6 Residues 141-151" . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 17942 1 5 no PDB 2OQS . "Structure Of The HdlgSAP97 PDZ2 IN COMPLEX WITH HPV-18 Papillomavirus E6 Peptide" . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 17942 1 6 no PDB 2X7Z . "Crystal Structure Of The Sap97 Pdz2 I342w C378a Mutant Protein Domain" . . . . . 91.75 99 97.75 97.75 2.25e-53 . . . . 17942 1 7 no PDB 3RL8 . "Crytal Structure Of Hdlg1-Pdz2 Complexed With Apc" . . . . . 91.75 105 100.00 100.00 7.56e-55 . . . . 17942 1 8 no PDB 4G69 . "Structure Of The Human Discs Large 1 Pdz2 - Adenomatous Polyposis Coli Cytoskeletal Polarity Complex" . . . . . 91.75 100 100.00 100.00 1.88e-55 . . . . 17942 1 9 no PDB 4OAJ . "Crystal Structure Of The Complex Between Sap97 Pdz2 And 5ht2a Receptor Peptide" . . . . . 91.75 92 98.88 100.00 8.38e-55 . . . . 17942 1 10 no REF XP_012432549 . "PREDICTED: disks large homolog 1-like, partial [Taeniopygia guttata]" . . . . . 80.41 93 98.72 100.00 1.92e-46 . . . . 17942 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 1 318 MET . 17942 1 2 319 GLU . 17942 1 3 320 ILE . 17942 1 4 321 LYS . 17942 1 5 322 LEU . 17942 1 6 323 ILE . 17942 1 7 324 LYS . 17942 1 8 325 GLY . 17942 1 9 326 PRO . 17942 1 10 327 LYS . 17942 1 11 328 GLY . 17942 1 12 329 LEU . 17942 1 13 330 GLY . 17942 1 14 331 PHE . 17942 1 15 332 SER . 17942 1 16 333 ILE . 17942 1 17 334 ALA . 17942 1 18 335 GLY . 17942 1 19 336 GLY . 17942 1 20 337 VAL . 17942 1 21 338 GLY . 17942 1 22 339 ASN . 17942 1 23 340 GLN . 17942 1 24 341 HIS . 17942 1 25 342 ILE . 17942 1 26 343 PRO . 17942 1 27 344 GLY . 17942 1 28 345 ASP . 17942 1 29 346 ASN . 17942 1 30 347 SER . 17942 1 31 348 ILE . 17942 1 32 349 TYR . 17942 1 33 350 VAL . 17942 1 34 351 THR . 17942 1 35 352 LYS . 17942 1 36 353 ILE . 17942 1 37 354 ILE . 17942 1 38 355 GLU . 17942 1 39 356 GLY . 17942 1 40 357 GLY . 17942 1 41 358 ALA . 17942 1 42 359 ALA . 17942 1 43 360 HIS . 17942 1 44 361 LYS . 17942 1 45 362 ASP . 17942 1 46 363 GLY . 17942 1 47 364 LYS . 17942 1 48 365 LEU . 17942 1 49 366 GLN . 17942 1 50 367 ILE . 17942 1 51 368 GLY . 17942 1 52 369 ASP . 17942 1 53 370 LYS . 17942 1 54 371 LEU . 17942 1 55 372 LEU . 17942 1 56 373 ALA . 17942 1 57 374 VAL . 17942 1 58 375 ASN . 17942 1 59 376 ASN . 17942 1 60 377 VAL . 17942 1 61 378 CYS . 17942 1 62 379 LEU . 17942 1 63 380 GLU . 17942 1 64 381 GLU . 17942 1 65 382 VAL . 17942 1 66 383 THR . 17942 1 67 384 HIS . 17942 1 68 385 GLU . 17942 1 69 386 GLU . 17942 1 70 387 ALA . 17942 1 71 388 VAL . 17942 1 72 389 THR . 17942 1 73 390 ALA . 17942 1 74 391 LEU . 17942 1 75 392 LYS . 17942 1 76 393 ASN . 17942 1 77 394 THR . 17942 1 78 395 SER . 17942 1 79 396 ASP . 17942 1 80 397 PHE . 17942 1 81 398 VAL . 17942 1 82 399 TYR . 17942 1 83 400 LEU . 17942 1 84 401 LYS . 17942 1 85 402 VAL . 17942 1 86 403 ALA . 17942 1 87 404 LYS . 17942 1 88 405 PRO . 17942 1 89 406 THR . 17942 1 90 407 GLY . 17942 1 91 408 SER . 17942 1 92 409 HIS . 17942 1 93 410 HIS . 17942 1 94 411 HIS . 17942 1 95 412 HIS . 17942 1 96 413 HIS . 17942 1 97 414 HIS . 17942 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 . MET 1 1 17942 1 . GLU 2 2 17942 1 . ILE 3 3 17942 1 . LYS 4 4 17942 1 . LEU 5 5 17942 1 . ILE 6 6 17942 1 . LYS 7 7 17942 1 . GLY 8 8 17942 1 . PRO 9 9 17942 1 . LYS 10 10 17942 1 . GLY 11 11 17942 1 . LEU 12 12 17942 1 . GLY 13 13 17942 1 . PHE 14 14 17942 1 . SER 15 15 17942 1 . ILE 16 16 17942 1 . ALA 17 17 17942 1 . GLY 18 18 17942 1 . GLY 19 19 17942 1 . VAL 20 20 17942 1 . GLY 21 21 17942 1 . ASN 22 22 17942 1 . GLN 23 23 17942 1 . HIS 24 24 17942 1 . ILE 25 25 17942 1 . PRO 26 26 17942 1 . GLY 27 27 17942 1 . ASP 28 28 17942 1 . ASN 29 29 17942 1 . SER 30 30 17942 1 . ILE 31 31 17942 1 . TYR 32 32 17942 1 . VAL 33 33 17942 1 . THR 34 34 17942 1 . LYS 35 35 17942 1 . ILE 36 36 17942 1 . ILE 37 37 17942 1 . GLU 38 38 17942 1 . GLY 39 39 17942 1 . GLY 40 40 17942 1 . ALA 41 41 17942 1 . ALA 42 42 17942 1 . HIS 43 43 17942 1 . LYS 44 44 17942 1 . ASP 45 45 17942 1 . GLY 46 46 17942 1 . LYS 47 47 17942 1 . LEU 48 48 17942 1 . GLN 49 49 17942 1 . ILE 50 50 17942 1 . GLY 51 51 17942 1 . ASP 52 52 17942 1 . LYS 53 53 17942 1 . LEU 54 54 17942 1 . LEU 55 55 17942 1 . ALA 56 56 17942 1 . VAL 57 57 17942 1 . ASN 58 58 17942 1 . ASN 59 59 17942 1 . VAL 60 60 17942 1 . CYS 61 61 17942 1 . LEU 62 62 17942 1 . GLU 63 63 17942 1 . GLU 64 64 17942 1 . VAL 65 65 17942 1 . THR 66 66 17942 1 . HIS 67 67 17942 1 . GLU 68 68 17942 1 . GLU 69 69 17942 1 . ALA 70 70 17942 1 . VAL 71 71 17942 1 . THR 72 72 17942 1 . ALA 73 73 17942 1 . LEU 74 74 17942 1 . LYS 75 75 17942 1 . ASN 76 76 17942 1 . THR 77 77 17942 1 . SER 78 78 17942 1 . ASP 79 79 17942 1 . PHE 80 80 17942 1 . VAL 81 81 17942 1 . TYR 82 82 17942 1 . LEU 83 83 17942 1 . LYS 84 84 17942 1 . VAL 85 85 17942 1 . ALA 86 86 17942 1 . LYS 87 87 17942 1 . PRO 88 88 17942 1 . THR 89 89 17942 1 . GLY 90 90 17942 1 . SER 91 91 17942 1 . HIS 92 92 17942 1 . HIS 93 93 17942 1 . HIS 94 94 17942 1 . HIS 95 95 17942 1 . HIS 96 96 17942 1 . HIS 97 97 17942 1 stop_ save_ save_E6_protein_fragment_of_HPV_type_51 _Entity.Sf_category entity _Entity.Sf_framecode E6_protein_fragment_of_HPV_type_51 _Entity.Entry_ID 17942 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name E6_protein_fragment_of_HPV_type_51 _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 XRTRQRNETQV _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 141-151 of full length protein' _Entity.Polymer_author_seq_details 'residue 141 (first residue in sequence) exists as pyroglutamic acid (PGL)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . . UNP P26554 . . . . . . . . . . . . . . . . 17942 2 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 1 141 PCA . 17942 2 2 142 ARG . 17942 2 3 143 THR . 17942 2 4 144 ARG . 17942 2 5 145 GLN . 17942 2 6 146 ARG . 17942 2 7 147 ASN . 17942 2 8 148 GLU . 17942 2 9 149 THR . 17942 2 10 150 GLN . 17942 2 11 151 VAL . 17942 2 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 . PCA 1 1 17942 2 . ARG 2 2 17942 2 . THR 3 3 17942 2 . ARG 4 4 17942 2 . GLN 5 5 17942 2 . ARG 6 6 17942 2 . ASN 7 7 17942 2 . GLU 8 8 17942 2 . THR 9 9 17942 2 . GLN 10 10 17942 2 . VAL 11 11 17942 2 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 17942 _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 $hDlg . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17942 1 2 2 $E6_protein_fragment_of_HPV_type_51 . 10595 organism . 'Human Papilloma Virus type 51' 'Human Papilloma Virus type 51' . . Viruses . Alphapapillomavirus 'Human papillomavirus 26' . . . . . . . . . . . . . . . . . . . . . 17942 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 17942 _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 $hDlg . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET30 . . . . . . 17942 1 2 2 $E6_protein_fragment_of_HPV_type_51 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pTYB21 . . . . . . 17942 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCA _Chem_comp.Entry_ID 17942 _Chem_comp.ID PCA _Chem_comp.Provenance . _Chem_comp.Name 'PYROGLUTAMIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PCA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces PCC _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code PCA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID GLU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O3' _Chem_comp.Formula_weight 129.114 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 13 16:34:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(=O)NC1C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17942 PCA C1CC(=O)N[C@@H]1C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17942 PCA InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.03 17942 PCA O=C(O)C1NC(=O)CC1 SMILES ACDLabs 10.04 17942 PCA OC(=O)[C@@H]1CCC(=O)N1 SMILES_CANONICAL CACTVS 3.341 17942 PCA OC(=O)[CH]1CCC(=O)N1 SMILES CACTVS 3.341 17942 PCA ODHCTXKNWHHXJC-VKHMYHEASA-N InChIKey InChI 1.03 17942 PCA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-5-oxopyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17942 PCA 5-oxo-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 17942 PCA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 38.821 . 57.719 . 67.990 . 0.713 0.531 -0.633 1 . 17942 PCA CA . CA . . C . . S 0 . . . . no no . . . . 38.455 . 58.883 . 67.183 . -0.328 0.539 0.400 2 . 17942 PCA CB . CB . . C . . N 0 . . . . no no . . . . 37.375 . 59.639 . 67.947 . -1.455 -0.368 -0.140 3 . 17942 PCA CG . CG . . C . . N 0 . . . . no no . . . . 37.746 . 59.312 . 69.375 . -1.232 -0.272 -1.667 4 . 17942 PCA CD . CD . . C . . N 0 . . . . no no . . . . 38.398 . 57.930 . 69.250 . 0.231 0.082 -1.807 5 . 17942 PCA OE . OE . . O . . N 0 . . . . no no . . . . 38.575 . 57.133 . 70.197 . 0.876 -0.019 -2.829 6 . 17942 PCA C . C . . C . . N 0 . . . . no no . . . . 39.640 . 59.813 . 66.967 . 0.214 -0.015 1.691 7 . 17942 PCA O . O . . O . . N 0 . . . . no no . . . . 40.560 . 59.863 . 67.790 . 1.122 -0.812 1.672 8 . 17942 PCA OXT . OXT . . O . . N 0 . . . . no yes . . . . 39.626 . 60.540 . 65.853 . -0.311 0.374 2.863 9 . 17942 PCA H . H . . H . . N 0 . . . . no no . . . . 39.309 . 56.868 . 67.709 . 1.631 0.810 -0.489 10 . 17942 PCA HA . HA . . H . . N 0 . . . . no no . . . . 38.103 . 58.540 . 66.181 . -0.700 1.552 0.552 11 . 17942 PCA HB2 . HB2 . . H . . N 0 . . . . no no . . . . 37.293 . 60.725 . 67.710 . -1.331 -1.393 0.208 12 . 17942 PCA HB3 . HB3 . . H . . N 0 . . . . no no . . . . 36.325 . 59.396 . 67.657 . -2.435 0.019 0.136 13 . 17942 PCA HG2 . HG2 . . H . . N 0 . . . . no no . . . . 38.375 . 60.080 . 69.881 . -1.439 -1.230 -2.144 14 . 17942 PCA HG3 . HG3 . . H . . N 0 . . . . no no . . . . 36.900 . 59.365 . 70.100 . -1.857 0.511 -2.095 15 . 17942 PCA HXT . HXT . . H . . N 0 . . . . no yes . . . . 40.365 . 61.120 . 65.718 . 0.036 0.018 3.692 16 . 17942 PCA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17942 PCA 2 . SING N CD no N 2 . 17942 PCA 3 . SING N H no N 3 . 17942 PCA 4 . SING CA CB no N 4 . 17942 PCA 5 . SING CA C no N 5 . 17942 PCA 6 . SING CA HA no N 6 . 17942 PCA 7 . SING CB CG no N 7 . 17942 PCA 8 . SING CB HB2 no N 8 . 17942 PCA 9 . SING CB HB3 no N 9 . 17942 PCA 10 . SING CG CD no N 10 . 17942 PCA 11 . SING CG HG2 no N 11 . 17942 PCA 12 . SING CG HG3 no N 12 . 17942 PCA 13 . DOUB CD OE no N 13 . 17942 PCA 14 . DOUB C O no N 14 . 17942 PCA 15 . SING C OXT no N 15 . 17942 PCA 16 . SING OXT HXT no N 16 . 17942 PCA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17942 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDlg '[U-100% 13C; U-100% 15N]' . . 1 $hDlg . . 0.8 . . mM . . . . 17942 1 2 'E6 protein fragment of HPV type 51' 'natural abundance' . . 2 $E6_protein_fragment_of_HPV_type_51 . . 2 . . mM . . . . 17942 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17942 1 4 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 17942 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17942 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17942 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDlg '[U-100% 13C; U-100% 15N]' . . 1 $hDlg . . 0.8 . . mM . . . . 17942 2 2 'E6 protein fragment of HPV type 51' 'natural abundance' . . 2 $E6_protein_fragment_of_HPV_type_51 . . 2 . . mM . . . . 17942 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17942 2 4 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 17942 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17942 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17942 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDlg 'natural abundance' . . 1 $hDlg . . 3 . . mM . . . . 17942 3 2 'E6 protein fragment of HPV type 51' '[U-100% 13C; U-100% 15N]' . . 2 $E6_protein_fragment_of_HPV_type_51 . . 1.25 . . mM . . . . 17942 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17942 3 4 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 17942 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17942 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17942 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hDlg 'natural abundance' . . 1 $hDlg . . 3 . . mM . . . . 17942 4 2 'E6 protein fragment of HPV type 51' '[U-100% 13C; U-100% 15N]' . . 2 $E6_protein_fragment_of_HPV_type_51 . . 1.25 . . mM . . . . 17942 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17942 4 4 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 17942 4 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17942 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17942 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Same conditions for all samples. Ionic strength may vary slightly due to different protein/peptide concentrations' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 17942 1 pH 6.5 . pH 17942 1 pressure 1 . atm 17942 1 temperature 293 . K 17942 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17942 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17942 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17942 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 17942 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17942 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17942 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 cryo-probe . . 17942 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 17942 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 4 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 5 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 6 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 8 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 9 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 10 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 11 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 12 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 13 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 14 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 15 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 16 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 17 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 18 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 19 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 20 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 21 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 22 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 23 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 24 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 25 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 26 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17942 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17942 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referencing to DSS' 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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17942 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17942 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17942 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_Complex_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Complex_Shifts _Assigned_chem_shift_list.Entry_ID 17942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 'File includes shifts for hDlg (Chain1) and for E6 (Chain2).' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17942 1 8 '2D 1H-13C HSQC aliphatic' . . . 17942 1 9 '2D 1H-13C HSQC aliphatic' . . . 17942 1 10 '2D 1H-13C HSQC aromatic' . . . 17942 1 15 '2D 1H-15N HSQC' . . . 17942 1 22 '2D 1H-13C HSQC aliphatic' . . . 17942 1 23 '2D 1H-13C HSQC aliphatic' . . . 17942 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 MET HA H 1 3.96 0.01 . 1 . . . . 318 MET HA . 17942 1 2 . 1 1 1 1 MET HB2 H 1 2.119 0.01 . 2 . . . . 318 MET HB2 . 17942 1 3 . 1 1 1 1 MET HB3 H 1 1.82 0.01 . 2 . . . . 318 MET HB3 . 17942 1 4 . 1 1 1 1 MET HG2 H 1 2.33 0.01 . 2 . . . . 318 MET HG2 . 17942 1 5 . 1 1 1 1 MET HG3 H 1 2.219 0.01 . 2 . . . . 318 MET HG3 . 17942 1 6 . 1 1 1 1 MET C C 13 171.58 0.2 . 1 . . . . 318 MET C . 17942 1 7 . 1 1 1 1 MET CA C 13 54.781 0.2 . 1 . . . . 318 MET CA . 17942 1 8 . 1 1 1 1 MET CB C 13 33.684 0.2 . 1 . . . . 318 MET CB . 17942 1 9 . 1 1 1 1 MET CG C 13 30.629 0.2 . 1 . . . . 318 MET CG . 17942 1 10 . 1 1 2 2 GLU H H 1 8.894 0.01 . 1 . . . . 319 GLU H . 17942 1 11 . 1 1 2 2 GLU HA H 1 5.173 0.01 . 1 . . . . 319 GLU HA . 17942 1 12 . 1 1 2 2 GLU HB2 H 1 1.934 0.01 . 2 . . . . 319 GLU HB2 . 17942 1 13 . 1 1 2 2 GLU HB3 H 1 1.834 0.01 . 2 . . . . 319 GLU HB3 . 17942 1 14 . 1 1 2 2 GLU HG2 H 1 2.074 0.01 . 2 . . . . 319 GLU HG2 . 17942 1 15 . 1 1 2 2 GLU HG3 H 1 1.991 0.01 . 2 . . . . 319 GLU HG3 . 17942 1 16 . 1 1 2 2 GLU C C 13 175.107 0.2 . 1 . . . . 319 GLU C . 17942 1 17 . 1 1 2 2 GLU CA C 13 55.28 0.2 . 1 . . . . 319 GLU CA . 17942 1 18 . 1 1 2 2 GLU CB C 13 31.939 0.2 . 1 . . . . 319 GLU CB . 17942 1 19 . 1 1 2 2 GLU CG C 13 37.536 0.2 . 1 . . . . 319 GLU CG . 17942 1 20 . 1 1 2 2 GLU N N 15 126.985 0.1 . 1 . . . . 319 GLU N . 17942 1 21 . 1 1 3 3 ILE H H 1 8.982 0.01 . 1 . . . . 320 ILE H . 17942 1 22 . 1 1 3 3 ILE HA H 1 4.107 0.01 . 1 . . . . 320 ILE HA . 17942 1 23 . 1 1 3 3 ILE HB H 1 1.434 0.01 . 1 . . . . 320 ILE HB . 17942 1 24 . 1 1 3 3 ILE HG12 H 1 1.254 0.01 . 2 . . . . 320 ILE HG12 . 17942 1 25 . 1 1 3 3 ILE HG13 H 1 0.764 0.01 . 2 . . . . 320 ILE HG13 . 17942 1 26 . 1 1 3 3 ILE HG21 H 1 0.691 0.01 . 1 . . . . 320 ILE QG2 . 17942 1 27 . 1 1 3 3 ILE HG22 H 1 0.691 0.01 . 1 . . . . 320 ILE QG2 . 17942 1 28 . 1 1 3 3 ILE HG23 H 1 0.691 0.01 . 1 . . . . 320 ILE QG2 . 17942 1 29 . 1 1 3 3 ILE HD11 H 1 0.542 0.01 . 1 . . . . 320 ILE QD1 . 17942 1 30 . 1 1 3 3 ILE HD12 H 1 0.542 0.01 . 1 . . . . 320 ILE QD1 . 17942 1 31 . 1 1 3 3 ILE HD13 H 1 0.542 0.01 . 1 . . . . 320 ILE QD1 . 17942 1 32 . 1 1 3 3 ILE C C 13 173.465 0.2 . 1 . . . . 320 ILE C . 17942 1 33 . 1 1 3 3 ILE CA C 13 60.694 0.2 . 1 . . . . 320 ILE CA . 17942 1 34 . 1 1 3 3 ILE CB C 13 42.067 0.2 . 1 . . . . 320 ILE CB . 17942 1 35 . 1 1 3 3 ILE CG1 C 13 27.547 0.2 . 1 . . . . 320 ILE CG1 . 17942 1 36 . 1 1 3 3 ILE CG2 C 13 16.994 0.2 . 1 . . . . 320 ILE CG2 . 17942 1 37 . 1 1 3 3 ILE CD1 C 13 14.724 0.2 . 1 . . . . 320 ILE CD1 . 17942 1 38 . 1 1 3 3 ILE N N 15 126.048 0.1 . 1 . . . . 320 ILE N . 17942 1 39 . 1 1 4 4 LYS H H 1 8.439 0.01 . 1 . . . . 321 LYS H . 17942 1 40 . 1 1 4 4 LYS HA H 1 4.869 0.01 . 1 . . . . 321 LYS HA . 17942 1 41 . 1 1 4 4 LYS HB2 H 1 1.531 0.01 . 2 . . . . 321 LYS HB2 . 17942 1 42 . 1 1 4 4 LYS HB3 H 1 1.413 0.01 . 2 . . . . 321 LYS HB3 . 17942 1 43 . 1 1 4 4 LYS HG2 H 1 0.644 0.01 . 2 . . . . 321 LYS HG2 . 17942 1 44 . 1 1 4 4 LYS HG3 H 1 0.579 0.01 . 2 . . . . 321 LYS HG3 . 17942 1 45 . 1 1 4 4 LYS HD2 H 1 1.342 0.01 . 1 . . . . 321 LYS HD2 . 17942 1 46 . 1 1 4 4 LYS HD3 H 1 1.342 0.01 . 1 . . . . 321 LYS HD3 . 17942 1 47 . 1 1 4 4 LYS HE2 H 1 2.399 0.01 . 2 . . . . 321 LYS HE2 . 17942 1 48 . 1 1 4 4 LYS HE3 H 1 2.345 0.01 . 2 . . . . 321 LYS HE3 . 17942 1 49 . 1 1 4 4 LYS C C 13 175.186 0.2 . 1 . . . . 321 LYS C . 17942 1 50 . 1 1 4 4 LYS CA C 13 54.521 0.2 . 1 . . . . 321 LYS CA . 17942 1 51 . 1 1 4 4 LYS CB C 13 33.759 0.2 . 1 . . . . 321 LYS CB . 17942 1 52 . 1 1 4 4 LYS CG C 13 24.438 0.2 . 1 . . . . 321 LYS CG . 17942 1 53 . 1 1 4 4 LYS CD C 13 29.617 0.2 . 1 . . . . 321 LYS CD . 17942 1 54 . 1 1 4 4 LYS CE C 13 41.422 0.2 . 1 . . . . 321 LYS CE . 17942 1 55 . 1 1 4 4 LYS N N 15 129.017 0.1 . 1 . . . . 321 LYS N . 17942 1 56 . 1 1 5 5 LEU H H 1 8.938 0.01 . 1 . . . . 322 LEU H . 17942 1 57 . 1 1 5 5 LEU HA H 1 4.682 0.01 . 1 . . . . 322 LEU HA . 17942 1 58 . 1 1 5 5 LEU HB2 H 1 1.416 0.01 . 2 . . . . 322 LEU HB2 . 17942 1 59 . 1 1 5 5 LEU HB3 H 1 1.073 0.01 . 2 . . . . 322 LEU HB3 . 17942 1 60 . 1 1 5 5 LEU HG H 1 0.791 0.01 . 1 . . . . 322 LEU HG . 17942 1 61 . 1 1 5 5 LEU HD11 H 1 0.771 0.01 . 2 . . . . 322 LEU QD1 . 17942 1 62 . 1 1 5 5 LEU HD12 H 1 0.771 0.01 . 2 . . . . 322 LEU QD1 . 17942 1 63 . 1 1 5 5 LEU HD13 H 1 0.771 0.01 . 2 . . . . 322 LEU QD1 . 17942 1 64 . 1 1 5 5 LEU HD21 H 1 0.763 0.01 . 2 . . . . 322 LEU QD2 . 17942 1 65 . 1 1 5 5 LEU HD22 H 1 0.763 0.01 . 2 . . . . 322 LEU QD2 . 17942 1 66 . 1 1 5 5 LEU HD23 H 1 0.763 0.01 . 2 . . . . 322 LEU QD2 . 17942 1 67 . 1 1 5 5 LEU C C 13 174.843 0.2 . 1 . . . . 322 LEU C . 17942 1 68 . 1 1 5 5 LEU CA C 13 52.651 0.2 . 1 . . . . 322 LEU CA . 17942 1 69 . 1 1 5 5 LEU CB C 13 46.06 0.2 . 1 . . . . 322 LEU CB . 17942 1 70 . 1 1 5 5 LEU CG C 13 26.752 0.2 . 1 . . . . 322 LEU CG . 17942 1 71 . 1 1 5 5 LEU CD1 C 13 26.363 0.2 . 2 . . . . 322 LEU CD1 . 17942 1 72 . 1 1 5 5 LEU CD2 C 13 23.809 0.2 . 2 . . . . 322 LEU CD2 . 17942 1 73 . 1 1 5 5 LEU N N 15 125.266 0.1 . 1 . . . . 322 LEU N . 17942 1 74 . 1 1 6 6 ILE H H 1 8.101 0.01 . 1 . . . . 323 ILE H . 17942 1 75 . 1 1 6 6 ILE HA H 1 4.319 0.01 . 1 . . . . 323 ILE HA . 17942 1 76 . 1 1 6 6 ILE HB H 1 1.565 0.01 . 1 . . . . 323 ILE HB . 17942 1 77 . 1 1 6 6 ILE HG12 H 1 1.291 0.01 . 2 . . . . 323 ILE HG12 . 17942 1 78 . 1 1 6 6 ILE HG13 H 1 0.791 0.01 . 2 . . . . 323 ILE HG13 . 17942 1 79 . 1 1 6 6 ILE HG21 H 1 0.625 0.01 . 1 . . . . 323 ILE QG2 . 17942 1 80 . 1 1 6 6 ILE HG22 H 1 0.625 0.01 . 1 . . . . 323 ILE QG2 . 17942 1 81 . 1 1 6 6 ILE HG23 H 1 0.625 0.01 . 1 . . . . 323 ILE QG2 . 17942 1 82 . 1 1 6 6 ILE HD11 H 1 0.657 0.01 . 1 . . . . 323 ILE QD1 . 17942 1 83 . 1 1 6 6 ILE HD12 H 1 0.657 0.01 . 1 . . . . 323 ILE QD1 . 17942 1 84 . 1 1 6 6 ILE HD13 H 1 0.657 0.01 . 1 . . . . 323 ILE QD1 . 17942 1 85 . 1 1 6 6 ILE C C 13 175.814 0.2 . 1 . . . . 323 ILE C . 17942 1 86 . 1 1 6 6 ILE CA C 13 59.557 0.2 . 1 . . . . 323 ILE CA . 17942 1 87 . 1 1 6 6 ILE CB C 13 38.056 0.2 . 1 . . . . 323 ILE CB . 17942 1 88 . 1 1 6 6 ILE CG1 C 13 27.935 0.2 . 1 . . . . 323 ILE CG1 . 17942 1 89 . 1 1 6 6 ILE CG2 C 13 17.223 0.2 . 1 . . . . 323 ILE CG2 . 17942 1 90 . 1 1 6 6 ILE CD1 C 13 12.93 0.2 . 1 . . . . 323 ILE CD1 . 17942 1 91 . 1 1 6 6 ILE N N 15 121.516 0.1 . 1 . . . . 323 ILE N . 17942 1 92 . 1 1 7 7 LYS H H 1 8.505 0.01 . 1 . . . . 324 LYS H . 17942 1 93 . 1 1 7 7 LYS HA H 1 3.546 0.01 . 1 . . . . 324 LYS HA . 17942 1 94 . 1 1 7 7 LYS HB2 H 1 1.689 0.01 . 2 . . . . 324 LYS HB2 . 17942 1 95 . 1 1 7 7 LYS HB3 H 1 1.331 0.01 . 2 . . . . 324 LYS HB3 . 17942 1 96 . 1 1 7 7 LYS HG2 H 1 1.426 0.01 . 2 . . . . 324 LYS HG2 . 17942 1 97 . 1 1 7 7 LYS HG3 H 1 0.927 0.01 . 2 . . . . 324 LYS HG3 . 17942 1 98 . 1 1 7 7 LYS HD2 H 1 1.426 0.01 . 1 . . . . 324 LYS HD2 . 17942 1 99 . 1 1 7 7 LYS HD3 H 1 1.426 0.01 . 1 . . . . 324 LYS HD3 . 17942 1 100 . 1 1 7 7 LYS HE2 H 1 2.784 0.01 . 1 . . . . 324 LYS HE2 . 17942 1 101 . 1 1 7 7 LYS HE3 H 1 2.784 0.01 . 1 . . . . 324 LYS HE3 . 17942 1 102 . 1 1 7 7 LYS C C 13 176.278 0.2 . 1 . . . . 324 LYS C . 17942 1 103 . 1 1 7 7 LYS CA C 13 58.043 0.2 . 1 . . . . 324 LYS CA . 17942 1 104 . 1 1 7 7 LYS CB C 13 33.437 0.2 . 1 . . . . 324 LYS CB . 17942 1 105 . 1 1 7 7 LYS CG C 13 25.557 0.2 . 1 . . . . 324 LYS CG . 17942 1 106 . 1 1 7 7 LYS CD C 13 29.436 0.2 . 1 . . . . 324 LYS CD . 17942 1 107 . 1 1 7 7 LYS CE C 13 42.23 0.2 . 1 . . . . 324 LYS CE . 17942 1 108 . 1 1 7 7 LYS N N 15 127.454 0.1 . 1 . . . . 324 LYS N . 17942 1 109 . 1 1 8 8 GLY H H 1 7.397 0.01 . 1 . . . . 325 GLY H . 17942 1 110 . 1 1 8 8 GLY HA2 H 1 3.902 0.01 . 2 . . . . 325 GLY HA2 . 17942 1 111 . 1 1 8 8 GLY HA3 H 1 4.569 0.01 . 2 . . . . 325 GLY HA3 . 17942 1 112 . 1 1 8 8 GLY C C 13 173.665 0.2 . 1 . . . . 325 GLY C . 17942 1 113 . 1 1 8 8 GLY CA C 13 44.212 0.2 . 1 . . . . 325 GLY CA . 17942 1 114 . 1 1 8 8 GLY N N 15 112.765 0.1 . 1 . . . . 325 GLY N . 17942 1 115 . 1 1 9 9 PRO HA H 1 4.229 0.01 . 1 . . . . 326 PRO HA . 17942 1 116 . 1 1 9 9 PRO HB2 H 1 2.293 0.01 . 2 . . . . 326 PRO HB2 . 17942 1 117 . 1 1 9 9 PRO HB3 H 1 1.803 0.01 . 2 . . . . 326 PRO HB3 . 17942 1 118 . 1 1 9 9 PRO HG2 H 1 1.943 0.01 . 1 . . . . 326 PRO HG2 . 17942 1 119 . 1 1 9 9 PRO HG3 H 1 1.943 0.01 . 1 . . . . 326 PRO HG3 . 17942 1 120 . 1 1 9 9 PRO HD2 H 1 3.672 0.01 . 2 . . . . 326 PRO HD2 . 17942 1 121 . 1 1 9 9 PRO HD3 H 1 3.547 0.01 . 2 . . . . 326 PRO HD3 . 17942 1 122 . 1 1 9 9 PRO C C 13 178.182 0.2 . 1 . . . . 326 PRO C . 17942 1 123 . 1 1 9 9 PRO CA C 13 64.911 0.2 . 1 . . . . 326 PRO CA . 17942 1 124 . 1 1 9 9 PRO CB C 13 31.95 0.2 . 1 . . . . 326 PRO CB . 17942 1 125 . 1 1 9 9 PRO CG C 13 27.372 0.2 . 1 . . . . 326 PRO CG . 17942 1 126 . 1 1 9 9 PRO CD C 13 49.635 0.2 . 1 . . . . 326 PRO CD . 17942 1 127 . 1 1 10 10 LYS H H 1 8.322 0.01 . 1 . . . . 327 LYS H . 17942 1 128 . 1 1 10 10 LYS HA H 1 4.385 0.01 . 1 . . . . 327 LYS HA . 17942 1 129 . 1 1 10 10 LYS HB2 H 1 1.915 0.01 . 2 . . . . 327 LYS HB2 . 17942 1 130 . 1 1 10 10 LYS HB3 H 1 1.563 0.01 . 2 . . . . 327 LYS HB3 . 17942 1 131 . 1 1 10 10 LYS HG2 H 1 1.291 0.01 . 2 . . . . 327 LYS HG2 . 17942 1 132 . 1 1 10 10 LYS HG3 H 1 1.188 0.01 . 2 . . . . 327 LYS HG3 . 17942 1 133 . 1 1 10 10 LYS HD2 H 1 1.509 0.01 . 1 . . . . 327 LYS HD2 . 17942 1 134 . 1 1 10 10 LYS HD3 H 1 1.509 0.01 . 1 . . . . 327 LYS HD3 . 17942 1 135 . 1 1 10 10 LYS HE2 H 1 2.817 0.01 . 1 . . . . 327 LYS HE2 . 17942 1 136 . 1 1 10 10 LYS HE3 H 1 2.817 0.01 . 1 . . . . 327 LYS HE3 . 17942 1 137 . 1 1 10 10 LYS C C 13 176.357 0.2 . 1 . . . . 327 LYS C . 17942 1 138 . 1 1 10 10 LYS CA C 13 54.718 0.2 . 1 . . . . 327 LYS CA . 17942 1 139 . 1 1 10 10 LYS CB C 13 31.439 0.2 . 1 . . . . 327 LYS CB . 17942 1 140 . 1 1 10 10 LYS CG C 13 25.229 0.2 . 1 . . . . 327 LYS CG . 17942 1 141 . 1 1 10 10 LYS CD C 13 28.709 0.2 . 1 . . . . 327 LYS CD . 17942 1 142 . 1 1 10 10 LYS CE C 13 41.742 0.2 . 1 . . . . 327 LYS CE . 17942 1 143 . 1 1 10 10 LYS N N 15 114.185 0.1 . 1 . . . . 327 LYS N . 17942 1 144 . 1 1 11 11 GLY H H 1 7.837 0.01 . 1 . . . . 328 GLY H . 17942 1 145 . 1 1 11 11 GLY HA2 H 1 4.453 0.01 . 2 . . . . 328 GLY HA2 . 17942 1 146 . 1 1 11 11 GLY HA3 H 1 3.346 0.01 . 2 . . . . 328 GLY HA3 . 17942 1 147 . 1 1 11 11 GLY C C 13 175.297 0.2 . 1 . . . . 328 GLY C . 17942 1 148 . 1 1 11 11 GLY CA C 13 44.441 0.2 . 1 . . . . 328 GLY CA . 17942 1 149 . 1 1 11 11 GLY N N 15 108.077 0.1 . 1 . . . . 328 GLY N . 17942 1 150 . 1 1 12 12 LEU H H 1 11.668 0.01 . 1 . . . . 329 LEU H . 17942 1 151 . 1 1 12 12 LEU HA H 1 4.127 0.01 . 1 . . . . 329 LEU HA . 17942 1 152 . 1 1 12 12 LEU HB2 H 1 1.506 0.01 . 2 . . . . 329 LEU HB2 . 17942 1 153 . 1 1 12 12 LEU HB3 H 1 1.368 0.01 . 2 . . . . 329 LEU HB3 . 17942 1 154 . 1 1 12 12 LEU HG H 1 1.327 0.01 . 1 . . . . 329 LEU HG . 17942 1 155 . 1 1 12 12 LEU HD11 H 1 0.715 0.01 . 2 . . . . 329 LEU QD1 . 17942 1 156 . 1 1 12 12 LEU HD12 H 1 0.715 0.01 . 2 . . . . 329 LEU QD1 . 17942 1 157 . 1 1 12 12 LEU HD13 H 1 0.715 0.01 . 2 . . . . 329 LEU QD1 . 17942 1 158 . 1 1 12 12 LEU HD21 H 1 0.662 0.01 . 2 . . . . 329 LEU QD2 . 17942 1 159 . 1 1 12 12 LEU HD22 H 1 0.662 0.01 . 2 . . . . 329 LEU QD2 . 17942 1 160 . 1 1 12 12 LEU HD23 H 1 0.662 0.01 . 2 . . . . 329 LEU QD2 . 17942 1 161 . 1 1 12 12 LEU C C 13 177.223 0.2 . 1 . . . . 329 LEU C . 17942 1 162 . 1 1 12 12 LEU CA C 13 56.349 0.2 . 1 . . . . 329 LEU CA . 17942 1 163 . 1 1 12 12 LEU CB C 13 43.002 0.2 . 1 . . . . 329 LEU CB . 17942 1 164 . 1 1 12 12 LEU CG C 13 27.395 0.2 . 1 . . . . 329 LEU CG . 17942 1 165 . 1 1 12 12 LEU CD1 C 13 26.542 0.2 . 2 . . . . 329 LEU CD1 . 17942 1 166 . 1 1 12 12 LEU CD2 C 13 22.914 0.2 . 2 . . . . 329 LEU CD2 . 17942 1 167 . 1 1 12 12 LEU N N 15 129.798 0.1 . 1 . . . . 329 LEU N . 17942 1 168 . 1 1 13 13 GLY H H 1 9.107 0.01 . 1 . . . . 330 GLY H . 17942 1 169 . 1 1 13 13 GLY HA2 H 1 3.785 0.01 . 2 . . . . 330 GLY HA2 . 17942 1 170 . 1 1 13 13 GLY HA3 H 1 4.313 0.01 . 2 . . . . 330 GLY HA3 . 17942 1 171 . 1 1 13 13 GLY C C 13 176.414 0.2 . 1 . . . . 330 GLY C . 17942 1 172 . 1 1 13 13 GLY CA C 13 46.047 0.2 . 1 . . . . 330 GLY CA . 17942 1 173 . 1 1 13 13 GLY N N 15 106.046 0.1 . 1 . . . . 330 GLY N . 17942 1 174 . 1 1 14 14 PHE H H 1 7.762 0.01 . 1 . . . . 331 PHE H . 17942 1 175 . 1 1 14 14 PHE HA H 1 4.994 0.01 . 1 . . . . 331 PHE HA . 17942 1 176 . 1 1 14 14 PHE HB2 H 1 3.414 0.01 . 2 . . . . 331 PHE HB2 . 17942 1 177 . 1 1 14 14 PHE HB3 H 1 2.895 0.01 . 2 . . . . 331 PHE HB3 . 17942 1 178 . 1 1 14 14 PHE HD1 H 1 6.63 0.01 . 3 . . . . 331 PHE HD1 . 17942 1 179 . 1 1 14 14 PHE HD2 H 1 6.63 0.01 . 3 . . . . 331 PHE HD2 . 17942 1 180 . 1 1 14 14 PHE HE1 H 1 6.749 0.01 . 3 . . . . 331 PHE HE1 . 17942 1 181 . 1 1 14 14 PHE HE2 H 1 6.749 0.01 . 3 . . . . 331 PHE HE2 . 17942 1 182 . 1 1 14 14 PHE HZ H 1 6.701 0.01 . 1 . . . . 331 PHE HZ . 17942 1 183 . 1 1 14 14 PHE C C 13 171.413 0.2 . 1 . . . . 331 PHE C . 17942 1 184 . 1 1 14 14 PHE CA C 13 56.446 0.2 . 1 . . . . 331 PHE CA . 17942 1 185 . 1 1 14 14 PHE CB C 13 40.589 0.2 . 1 . . . . 331 PHE CB . 17942 1 186 . 1 1 14 14 PHE CD1 C 13 132.586 0.2 . 3 . . . . 331 PHE CD1 . 17942 1 187 . 1 1 14 14 PHE CD2 C 13 132.586 0.2 . 3 . . . . 331 PHE CD2 . 17942 1 188 . 1 1 14 14 PHE CE1 C 13 130.836 0.2 . 3 . . . . 331 PHE CE1 . 17942 1 189 . 1 1 14 14 PHE CE2 C 13 130.836 0.2 . 3 . . . . 331 PHE CE2 . 17942 1 190 . 1 1 14 14 PHE CZ C 13 128.081 0.2 . 1 . . . . 331 PHE CZ . 17942 1 191 . 1 1 14 14 PHE N N 15 118.101 0.1 . 1 . . . . 331 PHE N . 17942 1 192 . 1 1 15 15 SER H H 1 8.596 0.01 . 1 . . . . 332 SER H . 17942 1 193 . 1 1 15 15 SER HA H 1 5.728 0.01 . 1 . . . . 332 SER HA . 17942 1 194 . 1 1 15 15 SER HB2 H 1 3.385 0.01 . 1 . . . . 332 SER HB2 . 17942 1 195 . 1 1 15 15 SER HB3 H 1 3.385 0.01 . 1 . . . . 332 SER HB3 . 17942 1 196 . 1 1 15 15 SER C C 13 174.233 0.2 . 1 . . . . 332 SER C . 17942 1 197 . 1 1 15 15 SER CA C 13 56.202 0.2 . 1 . . . . 332 SER CA . 17942 1 198 . 1 1 15 15 SER CB C 13 64.34 0.2 . 1 . . . . 332 SER CB . 17942 1 199 . 1 1 15 15 SER N N 15 113.643 0.1 . 1 . . . . 332 SER N . 17942 1 200 . 1 1 16 16 ILE H H 1 8.586 0.01 . 1 . . . . 333 ILE H . 17942 1 201 . 1 1 16 16 ILE HA H 1 5.646 0.01 . 1 . . . . 333 ILE HA . 17942 1 202 . 1 1 16 16 ILE HB H 1 1.714 0.01 . 1 . . . . 333 ILE HB . 17942 1 203 . 1 1 16 16 ILE HG12 H 1 1.511 0.01 . 2 . . . . 333 ILE HG12 . 17942 1 204 . 1 1 16 16 ILE HG13 H 1 0.756 0.01 . 2 . . . . 333 ILE HG13 . 17942 1 205 . 1 1 16 16 ILE HG21 H 1 0.811 0.01 . 1 . . . . 333 ILE QG2 . 17942 1 206 . 1 1 16 16 ILE HG22 H 1 0.811 0.01 . 1 . . . . 333 ILE QG2 . 17942 1 207 . 1 1 16 16 ILE HG23 H 1 0.811 0.01 . 1 . . . . 333 ILE QG2 . 17942 1 208 . 1 1 16 16 ILE HD11 H 1 0.297 0.01 . 1 . . . . 333 ILE QD1 . 17942 1 209 . 1 1 16 16 ILE HD12 H 1 0.297 0.01 . 1 . . . . 333 ILE QD1 . 17942 1 210 . 1 1 16 16 ILE HD13 H 1 0.297 0.01 . 1 . . . . 333 ILE QD1 . 17942 1 211 . 1 1 16 16 ILE C C 13 174.309 0.2 . 1 . . . . 333 ILE C . 17942 1 212 . 1 1 16 16 ILE CA C 13 57.777 0.2 . 1 . . . . 333 ILE CA . 17942 1 213 . 1 1 16 16 ILE CB C 13 42.936 0.2 . 1 . . . . 333 ILE CB . 17942 1 214 . 1 1 16 16 ILE CG1 C 13 25.159 0.2 . 1 . . . . 333 ILE CG1 . 17942 1 215 . 1 1 16 16 ILE CG2 C 13 20.309 0.2 . 1 . . . . 333 ILE CG2 . 17942 1 216 . 1 1 16 16 ILE CD1 C 13 14.981 0.2 . 1 . . . . 333 ILE CD1 . 17942 1 217 . 1 1 16 16 ILE N N 15 113.802 0.1 . 1 . . . . 333 ILE N . 17942 1 218 . 1 1 17 17 ALA H H 1 8.989 0.01 . 1 . . . . 334 ALA H . 17942 1 219 . 1 1 17 17 ALA HA H 1 4.948 0.01 . 1 . . . . 334 ALA HA . 17942 1 220 . 1 1 17 17 ALA HB1 H 1 1.155 0.01 . 1 . . . . 334 ALA QB . 17942 1 221 . 1 1 17 17 ALA HB2 H 1 1.155 0.01 . 1 . . . . 334 ALA QB . 17942 1 222 . 1 1 17 17 ALA HB3 H 1 1.155 0.01 . 1 . . . . 334 ALA QB . 17942 1 223 . 1 1 17 17 ALA C C 13 176.334 0.2 . 1 . . . . 334 ALA C . 17942 1 224 . 1 1 17 17 ALA CA C 13 50.417 0.2 . 1 . . . . 334 ALA CA . 17942 1 225 . 1 1 17 17 ALA CB C 13 24.965 0.2 . 1 . . . . 334 ALA CB . 17942 1 226 . 1 1 17 17 ALA N N 15 122.454 0.1 . 1 . . . . 334 ALA N . 17942 1 227 . 1 1 18 18 GLY H H 1 8.784 0.01 . 1 . . . . 335 GLY H . 17942 1 228 . 1 1 18 18 GLY HA2 H 1 4.452 0.01 . 2 . . . . 335 GLY HA2 . 17942 1 229 . 1 1 18 18 GLY HA3 H 1 5.293 0.01 . 2 . . . . 335 GLY HA3 . 17942 1 230 . 1 1 18 18 GLY C C 13 175.215 0.2 . 1 . . . . 335 GLY C . 17942 1 231 . 1 1 18 18 GLY CA C 13 44.414 0.2 . 1 . . . . 335 GLY CA . 17942 1 232 . 1 1 18 18 GLY N N 15 106.358 0.1 . 1 . . . . 335 GLY N . 17942 1 233 . 1 1 19 19 GLY H H 1 6.333 0.01 . 1 . . . . 336 GLY H . 17942 1 234 . 1 1 19 19 GLY HA2 H 1 4.413 0.01 . 2 . . . . 336 GLY HA2 . 17942 1 235 . 1 1 19 19 GLY HA3 H 1 3.94 0.01 . 2 . . . . 336 GLY HA3 . 17942 1 236 . 1 1 19 19 GLY C C 13 174.885 0.2 . 1 . . . . 336 GLY C . 17942 1 237 . 1 1 19 19 GLY CA C 13 43.736 0.2 . 1 . . . . 336 GLY CA . 17942 1 238 . 1 1 19 19 GLY N N 15 107.452 0.1 . 1 . . . . 336 GLY N . 17942 1 239 . 1 1 20 20 VAL H H 1 8.622 0.01 . 1 . . . . 337 VAL H . 17942 1 240 . 1 1 20 20 VAL HA H 1 3.459 0.01 . 1 . . . . 337 VAL HA . 17942 1 241 . 1 1 20 20 VAL HB H 1 1.394 0.01 . 1 . . . . 337 VAL HB . 17942 1 242 . 1 1 20 20 VAL HG11 H 1 0.738 0.01 . 2 . . . . 337 VAL QG1 . 17942 1 243 . 1 1 20 20 VAL HG12 H 1 0.738 0.01 . 2 . . . . 337 VAL QG1 . 17942 1 244 . 1 1 20 20 VAL HG13 H 1 0.738 0.01 . 2 . . . . 337 VAL QG1 . 17942 1 245 . 1 1 20 20 VAL HG21 H 1 0.704 0.01 . 2 . . . . 337 VAL QG2 . 17942 1 246 . 1 1 20 20 VAL HG22 H 1 0.704 0.01 . 2 . . . . 337 VAL QG2 . 17942 1 247 . 1 1 20 20 VAL HG23 H 1 0.704 0.01 . 2 . . . . 337 VAL QG2 . 17942 1 248 . 1 1 20 20 VAL C C 13 178.972 0.2 . 1 . . . . 337 VAL C . 17942 1 249 . 1 1 20 20 VAL CA C 13 64.408 0.2 . 1 . . . . 337 VAL CA . 17942 1 250 . 1 1 20 20 VAL CB C 13 31.815 0.2 . 1 . . . . 337 VAL CB . 17942 1 251 . 1 1 20 20 VAL CG1 C 13 20.544 0.2 . 1 . . . . 337 VAL CG1 . 17942 1 252 . 1 1 20 20 VAL CG2 C 13 20.432 0.2 . 1 . . . . 337 VAL CG2 . 17942 1 253 . 1 1 20 20 VAL N N 15 121.672 0.1 . 1 . . . . 337 VAL N . 17942 1 254 . 1 1 21 21 GLY H H 1 9.408 0.01 . 1 . . . . 338 GLY H . 17942 1 255 . 1 1 21 21 GLY HA2 H 1 4.125 0.01 . 2 . . . . 338 GLY HA2 . 17942 1 256 . 1 1 21 21 GLY HA3 H 1 3.651 0.01 . 2 . . . . 338 GLY HA3 . 17942 1 257 . 1 1 21 21 GLY C C 13 173.628 0.2 . 1 . . . . 338 GLY C . 17942 1 258 . 1 1 21 21 GLY CA C 13 45.132 0.2 . 1 . . . . 338 GLY CA . 17942 1 259 . 1 1 21 21 GLY N N 15 118.703 0.1 . 1 . . . . 338 GLY N . 17942 1 260 . 1 1 22 22 ASN H H 1 8.461 0.01 . 1 . . . . 339 ASN H . 17942 1 261 . 1 1 22 22 ASN HA H 1 4.759 0.01 . 1 . . . . 339 ASN HA . 17942 1 262 . 1 1 22 22 ASN HB2 H 1 2.506 0.01 . 2 . . . . 339 ASN HB2 . 17942 1 263 . 1 1 22 22 ASN HB3 H 1 2.178 0.01 . 2 . . . . 339 ASN HB3 . 17942 1 264 . 1 1 22 22 ASN HD21 H 1 7.345 0.01 . 2 . . . . 339 ASN HD21 . 17942 1 265 . 1 1 22 22 ASN HD22 H 1 7.067 0.01 . 2 . . . . 339 ASN HD22 . 17942 1 266 . 1 1 22 22 ASN C C 13 174.739 0.2 . 1 . . . . 339 ASN C . 17942 1 267 . 1 1 22 22 ASN CA C 13 52.583 0.2 . 1 . . . . 339 ASN CA . 17942 1 268 . 1 1 22 22 ASN CB C 13 40.537 0.2 . 1 . . . . 339 ASN CB . 17942 1 269 . 1 1 22 22 ASN N N 15 123.704 0.1 . 1 . . . . 339 ASN N . 17942 1 270 . 1 1 22 22 ASN ND2 N 15 113.703 0.1 . 1 . . . . 339 ASN ND2 . 17942 1 271 . 1 1 23 23 GLN H H 1 8.256 0.01 . 1 . . . . 340 GLN H . 17942 1 272 . 1 1 23 23 GLN HA H 1 4.031 0.01 . 1 . . . . 340 GLN HA . 17942 1 273 . 1 1 23 23 GLN HB2 H 1 2.126 0.01 . 2 . . . . 340 GLN HB2 . 17942 1 274 . 1 1 23 23 GLN HB3 H 1 1.778 0.01 . 2 . . . . 340 GLN HB3 . 17942 1 275 . 1 1 23 23 GLN HG2 H 1 2.632 0.01 . 2 . . . . 340 GLN HG2 . 17942 1 276 . 1 1 23 23 GLN HG3 H 1 2.537 0.01 . 2 . . . . 340 GLN HG3 . 17942 1 277 . 1 1 23 23 GLN HE21 H 1 7.612 0.01 . 2 . . . . 340 GLN HE21 . 17942 1 278 . 1 1 23 23 GLN HE22 H 1 6.949 0.01 . 2 . . . . 340 GLN HE22 . 17942 1 279 . 1 1 23 23 GLN C C 13 178.45 0.2 . 1 . . . . 340 GLN C . 17942 1 280 . 1 1 23 23 GLN CA C 13 58.348 0.2 . 1 . . . . 340 GLN CA . 17942 1 281 . 1 1 23 23 GLN CB C 13 27.97 0.2 . 1 . . . . 340 GLN CB . 17942 1 282 . 1 1 23 23 GLN CG C 13 33.722 0.2 . 1 . . . . 340 GLN CG . 17942 1 283 . 1 1 23 23 GLN N N 15 116.672 0.1 . 1 . . . . 340 GLN N . 17942 1 284 . 1 1 23 23 GLN NE2 N 15 112.453 0.1 . 1 . . . . 340 GLN NE2 . 17942 1 285 . 1 1 24 24 HIS H H 1 10.208 0.01 . 1 . . . . 341 HIS H . 17942 1 286 . 1 1 24 24 HIS HA H 1 4.606 0.01 . 1 . . . . 341 HIS HA . 17942 1 287 . 1 1 24 24 HIS HB2 H 1 3.04 0.01 . 2 . . . . 341 HIS HB2 . 17942 1 288 . 1 1 24 24 HIS HB3 H 1 2.967 0.01 . 2 . . . . 341 HIS HB3 . 17942 1 289 . 1 1 24 24 HIS HD2 H 1 6.001 0.01 . 1 . . . . 341 HIS HD2 . 17942 1 290 . 1 1 24 24 HIS HE1 H 1 7.616 0.01 . 1 . . . . 341 HIS HE1 . 17942 1 291 . 1 1 24 24 HIS C C 13 174.784 0.2 . 1 . . . . 341 HIS C . 17942 1 292 . 1 1 24 24 HIS CA C 13 57.275 0.2 . 1 . . . . 341 HIS CA . 17942 1 293 . 1 1 24 24 HIS CB C 13 32.015 0.2 . 1 . . . . 341 HIS CB . 17942 1 294 . 1 1 24 24 HIS CD2 C 13 119.018 0.2 . 1 . . . . 341 HIS CD2 . 17942 1 295 . 1 1 24 24 HIS CE1 C 13 138.77 0.2 . 1 . . . . 341 HIS CE1 . 17942 1 296 . 1 1 24 24 HIS N N 15 124.954 0.1 . 1 . . . . 341 HIS N . 17942 1 297 . 1 1 25 25 ILE H H 1 6.876 0.01 . 1 . . . . 342 ILE H . 17942 1 298 . 1 1 25 25 ILE HA H 1 4.128 0.01 . 1 . . . . 342 ILE HA . 17942 1 299 . 1 1 25 25 ILE HB H 1 1.506 0.01 . 1 . . . . 342 ILE HB . 17942 1 300 . 1 1 25 25 ILE HG12 H 1 0.977 0.01 . 2 . . . . 342 ILE HG12 . 17942 1 301 . 1 1 25 25 ILE HG13 H 1 0.603 0.01 . 2 . . . . 342 ILE HG13 . 17942 1 302 . 1 1 25 25 ILE HG21 H 1 0.716 0.01 . 1 . . . . 342 ILE QG2 . 17942 1 303 . 1 1 25 25 ILE HG22 H 1 0.716 0.01 . 1 . . . . 342 ILE QG2 . 17942 1 304 . 1 1 25 25 ILE HG23 H 1 0.716 0.01 . 1 . . . . 342 ILE QG2 . 17942 1 305 . 1 1 25 25 ILE HD11 H 1 0.352 0.01 . 1 . . . . 342 ILE QD1 . 17942 1 306 . 1 1 25 25 ILE HD12 H 1 0.352 0.01 . 1 . . . . 342 ILE QD1 . 17942 1 307 . 1 1 25 25 ILE HD13 H 1 0.352 0.01 . 1 . . . . 342 ILE QD1 . 17942 1 308 . 1 1 25 25 ILE C C 13 173.277 0.2 . 1 . . . . 342 ILE C . 17942 1 309 . 1 1 25 25 ILE CA C 13 56.852 0.2 . 1 . . . . 342 ILE CA . 17942 1 310 . 1 1 25 25 ILE CB C 13 41.654 0.2 . 1 . . . . 342 ILE CB . 17942 1 311 . 1 1 25 25 ILE CG1 C 13 27.217 0.2 . 1 . . . . 342 ILE CG1 . 17942 1 312 . 1 1 25 25 ILE CG2 C 13 16.274 0.2 . 1 . . . . 342 ILE CG2 . 17942 1 313 . 1 1 25 25 ILE CD1 C 13 12.258 0.2 . 1 . . . . 342 ILE CD1 . 17942 1 314 . 1 1 25 25 ILE N N 15 118.078 0.1 . 1 . . . . 342 ILE N . 17942 1 315 . 1 1 26 26 PRO HA H 1 4.042 0.01 . 1 . . . . 343 PRO HA . 17942 1 316 . 1 1 26 26 PRO HB2 H 1 2.144 0.01 . 2 . . . . 343 PRO HB2 . 17942 1 317 . 1 1 26 26 PRO HB3 H 1 1.736 0.01 . 2 . . . . 343 PRO HB3 . 17942 1 318 . 1 1 26 26 PRO HG2 H 1 1.949 0.01 . 2 . . . . 343 PRO HG2 . 17942 1 319 . 1 1 26 26 PRO HG3 H 1 1.755 0.01 . 2 . . . . 343 PRO HG3 . 17942 1 320 . 1 1 26 26 PRO HD2 H 1 3.61 0.01 . 2 . . . . 343 PRO HD2 . 17942 1 321 . 1 1 26 26 PRO HD3 H 1 3.389 0.01 . 2 . . . . 343 PRO HD3 . 17942 1 322 . 1 1 26 26 PRO C C 13 177.986 0.2 . 1 . . . . 343 PRO C . 17942 1 323 . 1 1 26 26 PRO CA C 13 64.316 0.2 . 1 . . . . 343 PRO CA . 17942 1 324 . 1 1 26 26 PRO CB C 13 31.496 0.2 . 1 . . . . 343 PRO CB . 17942 1 325 . 1 1 26 26 PRO CG C 13 27.574 0.2 . 1 . . . . 343 PRO CG . 17942 1 326 . 1 1 26 26 PRO CD C 13 50.703 0.2 . 1 . . . . 343 PRO CD . 17942 1 327 . 1 1 27 27 GLY H H 1 8.189 0.01 . 1 . . . . 344 GLY H . 17942 1 328 . 1 1 27 27 GLY HA2 H 1 4.091 0.01 . 2 . . . . 344 GLY HA2 . 17942 1 329 . 1 1 27 27 GLY HA3 H 1 3.671 0.01 . 2 . . . . 344 GLY HA3 . 17942 1 330 . 1 1 27 27 GLY C C 13 172.836 0.2 . 1 . . . . 344 GLY C . 17942 1 331 . 1 1 27 27 GLY CA C 13 45.5 0.2 . 1 . . . . 344 GLY CA . 17942 1 332 . 1 1 27 27 GLY N N 15 112.14 0.1 . 1 . . . . 344 GLY N . 17942 1 333 . 1 1 28 28 ASP H H 1 8.079 0.01 . 1 . . . . 345 ASP H . 17942 1 334 . 1 1 28 28 ASP HA H 1 4.786 0.01 . 1 . . . . 345 ASP HA . 17942 1 335 . 1 1 28 28 ASP HB2 H 1 3.148 0.01 . 2 . . . . 345 ASP HB2 . 17942 1 336 . 1 1 28 28 ASP HB3 H 1 2.306 0.01 . 2 . . . . 345 ASP HB3 . 17942 1 337 . 1 1 28 28 ASP C C 13 176.457 0.2 . 1 . . . . 345 ASP C . 17942 1 338 . 1 1 28 28 ASP CA C 13 52.276 0.2 . 1 . . . . 345 ASP CA . 17942 1 339 . 1 1 28 28 ASP CB C 13 43.481 0.2 . 1 . . . . 345 ASP CB . 17942 1 340 . 1 1 28 28 ASP N N 15 121.829 0.1 . 1 . . . . 345 ASP N . 17942 1 341 . 1 1 29 29 ASN H H 1 9.569 0.01 . 1 . . . . 346 ASN H . 17942 1 342 . 1 1 29 29 ASN HA H 1 4.818 0.01 . 1 . . . . 346 ASN HA . 17942 1 343 . 1 1 29 29 ASN HB2 H 1 2.839 0.01 . 2 . . . . 346 ASN HB2 . 17942 1 344 . 1 1 29 29 ASN HB3 H 1 2.79 0.01 . 2 . . . . 346 ASN HB3 . 17942 1 345 . 1 1 29 29 ASN HD21 H 1 9.151 0.01 . 2 . . . . 346 ASN HD21 . 17942 1 346 . 1 1 29 29 ASN HD22 H 1 7.169 0.01 . 2 . . . . 346 ASN HD22 . 17942 1 347 . 1 1 29 29 ASN C C 13 176.663 0.2 . 1 . . . . 346 ASN C . 17942 1 348 . 1 1 29 29 ASN CA C 13 53.79 0.2 . 1 . . . . 346 ASN CA . 17942 1 349 . 1 1 29 29 ASN CB C 13 39.221 0.2 . 1 . . . . 346 ASN CB . 17942 1 350 . 1 1 29 29 ASN N N 15 125.11 0.1 . 1 . . . . 346 ASN N . 17942 1 351 . 1 1 29 29 ASN ND2 N 15 119.641 0.1 . 1 . . . . 346 ASN ND2 . 17942 1 352 . 1 1 30 30 SER H H 1 8.784 0.01 . 1 . . . . 347 SER H . 17942 1 353 . 1 1 30 30 SER HA H 1 4.237 0.01 . 1 . . . . 347 SER HA . 17942 1 354 . 1 1 30 30 SER HB2 H 1 3.64 0.01 . 2 . . . . 347 SER HB2 . 17942 1 355 . 1 1 30 30 SER HB3 H 1 3.347 0.01 . 2 . . . . 347 SER HB3 . 17942 1 356 . 1 1 30 30 SER C C 13 171.612 0.2 . 1 . . . . 347 SER C . 17942 1 357 . 1 1 30 30 SER CA C 13 60.354 0.2 . 1 . . . . 347 SER CA . 17942 1 358 . 1 1 30 30 SER CB C 13 62.876 0.2 . 1 . . . . 347 SER CB . 17942 1 359 . 1 1 30 30 SER N N 15 116.047 0.1 . 1 . . . . 347 SER N . 17942 1 360 . 1 1 31 31 ILE H H 1 9.239 0.01 . 1 . . . . 348 ILE H . 17942 1 361 . 1 1 31 31 ILE HA H 1 4.595 0.01 . 1 . . . . 348 ILE HA . 17942 1 362 . 1 1 31 31 ILE HB H 1 2.124 0.01 . 1 . . . . 348 ILE HB . 17942 1 363 . 1 1 31 31 ILE HG12 H 1 1.86 0.01 . 2 . . . . 348 ILE HG12 . 17942 1 364 . 1 1 31 31 ILE HG13 H 1 0.984 0.01 . 2 . . . . 348 ILE HG13 . 17942 1 365 . 1 1 31 31 ILE HG21 H 1 0.719 0.01 . 1 . . . . 348 ILE QG2 . 17942 1 366 . 1 1 31 31 ILE HG22 H 1 0.719 0.01 . 1 . . . . 348 ILE QG2 . 17942 1 367 . 1 1 31 31 ILE HG23 H 1 0.719 0.01 . 1 . . . . 348 ILE QG2 . 17942 1 368 . 1 1 31 31 ILE HD11 H 1 0.401 0.01 . 1 . . . . 348 ILE QD1 . 17942 1 369 . 1 1 31 31 ILE HD12 H 1 0.401 0.01 . 1 . . . . 348 ILE QD1 . 17942 1 370 . 1 1 31 31 ILE HD13 H 1 0.401 0.01 . 1 . . . . 348 ILE QD1 . 17942 1 371 . 1 1 31 31 ILE C C 13 174.911 0.2 . 1 . . . . 348 ILE C . 17942 1 372 . 1 1 31 31 ILE CA C 13 57.573 0.2 . 1 . . . . 348 ILE CA . 17942 1 373 . 1 1 31 31 ILE CB C 13 35.22 0.2 . 1 . . . . 348 ILE CB . 17942 1 374 . 1 1 31 31 ILE CG1 C 13 26.81 0.2 . 1 . . . . 348 ILE CG1 . 17942 1 375 . 1 1 31 31 ILE CG2 C 13 19.392 0.2 . 1 . . . . 348 ILE CG2 . 17942 1 376 . 1 1 31 31 ILE CD1 C 13 7.921 0.2 . 1 . . . . 348 ILE CD1 . 17942 1 377 . 1 1 31 31 ILE N N 15 123.235 0.1 . 1 . . . . 348 ILE N . 17942 1 378 . 1 1 32 32 TYR H H 1 8.351 0.01 . 1 . . . . 349 TYR H . 17942 1 379 . 1 1 32 32 TYR HA H 1 5.245 0.01 . 1 . . . . 349 TYR HA . 17942 1 380 . 1 1 32 32 TYR HB2 H 1 2.459 0.01 . 2 . . . . 349 TYR HB2 . 17942 1 381 . 1 1 32 32 TYR HB3 H 1 1.859 0.01 . 2 . . . . 349 TYR HB3 . 17942 1 382 . 1 1 32 32 TYR HD1 H 1 6.844 0.01 . 3 . . . . 349 TYR HD1 . 17942 1 383 . 1 1 32 32 TYR HD2 H 1 6.844 0.01 . 3 . . . . 349 TYR HD2 . 17942 1 384 . 1 1 32 32 TYR HE1 H 1 6.563 0.01 . 3 . . . . 349 TYR HE1 . 17942 1 385 . 1 1 32 32 TYR HE2 H 1 6.563 0.01 . 3 . . . . 349 TYR HE2 . 17942 1 386 . 1 1 32 32 TYR C C 13 175.619 0.2 . 1 . . . . 349 TYR C . 17942 1 387 . 1 1 32 32 TYR CA C 13 56.763 0.2 . 1 . . . . 349 TYR CA . 17942 1 388 . 1 1 32 32 TYR CB C 13 43.697 0.2 . 1 . . . . 349 TYR CB . 17942 1 389 . 1 1 32 32 TYR CD1 C 13 133.7 0.2 . 3 . . . . 349 TYR CD1 . 17942 1 390 . 1 1 32 32 TYR CD2 C 13 133.7 0.2 . 3 . . . . 349 TYR CD2 . 17942 1 391 . 1 1 32 32 TYR CE1 C 13 117.706 0.2 . 3 . . . . 349 TYR CE1 . 17942 1 392 . 1 1 32 32 TYR CE2 C 13 117.706 0.2 . 3 . . . . 349 TYR CE2 . 17942 1 393 . 1 1 32 32 TYR N N 15 123.704 0.1 . 1 . . . . 349 TYR N . 17942 1 394 . 1 1 33 33 VAL H H 1 8.586 0.01 . 1 . . . . 350 VAL H . 17942 1 395 . 1 1 33 33 VAL HA H 1 4.472 0.01 . 1 . . . . 350 VAL HA . 17942 1 396 . 1 1 33 33 VAL HB H 1 2.052 0.01 . 1 . . . . 350 VAL HB . 17942 1 397 . 1 1 33 33 VAL HG11 H 1 0.668 0.01 . 2 . . . . 350 VAL QG1 . 17942 1 398 . 1 1 33 33 VAL HG12 H 1 0.668 0.01 . 2 . . . . 350 VAL QG1 . 17942 1 399 . 1 1 33 33 VAL HG13 H 1 0.668 0.01 . 2 . . . . 350 VAL QG1 . 17942 1 400 . 1 1 33 33 VAL HG21 H 1 0.567 0.01 . 2 . . . . 350 VAL QG2 . 17942 1 401 . 1 1 33 33 VAL HG22 H 1 0.567 0.01 . 2 . . . . 350 VAL QG2 . 17942 1 402 . 1 1 33 33 VAL HG23 H 1 0.567 0.01 . 2 . . . . 350 VAL QG2 . 17942 1 403 . 1 1 33 33 VAL C C 13 178.077 0.2 . 1 . . . . 350 VAL C . 17942 1 404 . 1 1 33 33 VAL CA C 13 62.371 0.2 . 1 . . . . 350 VAL CA . 17942 1 405 . 1 1 33 33 VAL CB C 13 32.157 0.2 . 1 . . . . 350 VAL CB . 17942 1 406 . 1 1 33 33 VAL CG1 C 13 21.746 0.2 . 2 . . . . 350 VAL CG1 . 17942 1 407 . 1 1 33 33 VAL CG2 C 13 21.746 0.2 . 2 . . . . 350 VAL CG2 . 17942 1 408 . 1 1 33 33 VAL N N 15 119.953 0.1 . 1 . . . . 350 VAL N . 17942 1 409 . 1 1 34 34 THR H H 1 8.821 0.01 . 1 . . . . 351 THR H . 17942 1 410 . 1 1 34 34 THR HA H 1 4.392 0.01 . 1 . . . . 351 THR HA . 17942 1 411 . 1 1 34 34 THR HB H 1 4.051 0.01 . 1 . . . . 351 THR HB . 17942 1 412 . 1 1 34 34 THR HG21 H 1 0.632 0.01 . 1 . . . . 351 THR QG2 . 17942 1 413 . 1 1 34 34 THR HG22 H 1 0.632 0.01 . 1 . . . . 351 THR QG2 . 17942 1 414 . 1 1 34 34 THR HG23 H 1 0.632 0.01 . 1 . . . . 351 THR QG2 . 17942 1 415 . 1 1 34 34 THR C C 13 175.148 0.2 . 1 . . . . 351 THR C . 17942 1 416 . 1 1 34 34 THR CA C 13 62.209 0.2 . 1 . . . . 351 THR CA . 17942 1 417 . 1 1 34 34 THR CB C 13 69.111 0.2 . 1 . . . . 351 THR CB . 17942 1 418 . 1 1 34 34 THR CG2 C 13 24.305 0.2 . 1 . . . . 351 THR CG2 . 17942 1 419 . 1 1 34 34 THR N N 15 118.547 0.1 . 1 . . . . 351 THR N . 17942 1 420 . 1 1 35 35 LYS H H 1 7.103 0.01 . 1 . . . . 352 LYS H . 17942 1 421 . 1 1 35 35 LYS HA H 1 4.309 0.01 . 1 . . . . 352 LYS HA . 17942 1 422 . 1 1 35 35 LYS HB2 H 1 1.601 0.01 . 2 . . . . 352 LYS HB2 . 17942 1 423 . 1 1 35 35 LYS HB3 H 1 1.498 0.01 . 2 . . . . 352 LYS HB3 . 17942 1 424 . 1 1 35 35 LYS HG2 H 1 1.296 0.01 . 2 . . . . 352 LYS HG2 . 17942 1 425 . 1 1 35 35 LYS HG3 H 1 1.094 0.01 . 2 . . . . 352 LYS HG3 . 17942 1 426 . 1 1 35 35 LYS HD2 H 1 1.517 0.01 . 2 . . . . 352 LYS HD2 . 17942 1 427 . 1 1 35 35 LYS HD3 H 1 1.451 0.01 . 2 . . . . 352 LYS HD3 . 17942 1 428 . 1 1 35 35 LYS HE2 H 1 2.813 0.01 . 1 . . . . 352 LYS HE2 . 17942 1 429 . 1 1 35 35 LYS HE3 H 1 2.813 0.01 . 1 . . . . 352 LYS HE3 . 17942 1 430 . 1 1 35 35 LYS C C 13 174.552 0.2 . 1 . . . . 352 LYS C . 17942 1 431 . 1 1 35 35 LYS CA C 13 56.192 0.2 . 1 . . . . 352 LYS CA . 17942 1 432 . 1 1 35 35 LYS CB C 13 37.105 0.2 . 1 . . . . 352 LYS CB . 17942 1 433 . 1 1 35 35 LYS CG C 13 24.985 0.2 . 1 . . . . 352 LYS CG . 17942 1 434 . 1 1 35 35 LYS CD C 13 28.88 0.2 . 1 . . . . 352 LYS CD . 17942 1 435 . 1 1 35 35 LYS CE C 13 42.038 0.2 . 1 . . . . 352 LYS CE . 17942 1 436 . 1 1 35 35 LYS N N 15 120.422 0.1 . 1 . . . . 352 LYS N . 17942 1 437 . 1 1 36 36 ILE H H 1 8.534 0.01 . 1 . . . . 353 ILE H . 17942 1 438 . 1 1 36 36 ILE HA H 1 4.248 0.01 . 1 . . . . 353 ILE HA . 17942 1 439 . 1 1 36 36 ILE HB H 1 1.752 0.01 . 1 . . . . 353 ILE HB . 17942 1 440 . 1 1 36 36 ILE HG12 H 1 1.281 0.01 . 2 . . . . 353 ILE HG12 . 17942 1 441 . 1 1 36 36 ILE HG13 H 1 0.991 0.01 . 2 . . . . 353 ILE HG13 . 17942 1 442 . 1 1 36 36 ILE HG21 H 1 0.794 0.01 . 1 . . . . 353 ILE QG2 . 17942 1 443 . 1 1 36 36 ILE HG22 H 1 0.794 0.01 . 1 . . . . 353 ILE QG2 . 17942 1 444 . 1 1 36 36 ILE HG23 H 1 0.794 0.01 . 1 . . . . 353 ILE QG2 . 17942 1 445 . 1 1 36 36 ILE HD11 H 1 0.368 0.01 . 1 . . . . 353 ILE QD1 . 17942 1 446 . 1 1 36 36 ILE HD12 H 1 0.368 0.01 . 1 . . . . 353 ILE QD1 . 17942 1 447 . 1 1 36 36 ILE HD13 H 1 0.368 0.01 . 1 . . . . 353 ILE QD1 . 17942 1 448 . 1 1 36 36 ILE C C 13 175.162 0.2 . 1 . . . . 353 ILE C . 17942 1 449 . 1 1 36 36 ILE CA C 13 59.726 0.2 . 1 . . . . 353 ILE CA . 17942 1 450 . 1 1 36 36 ILE CB C 13 38.638 0.2 . 1 . . . . 353 ILE CB . 17942 1 451 . 1 1 36 36 ILE CG1 C 13 26.922 0.2 . 1 . . . . 353 ILE CG1 . 17942 1 452 . 1 1 36 36 ILE CG2 C 13 17.226 0.2 . 1 . . . . 353 ILE CG2 . 17942 1 453 . 1 1 36 36 ILE CD1 C 13 11.548 0.2 . 1 . . . . 353 ILE CD1 . 17942 1 454 . 1 1 36 36 ILE N N 15 123.86 0.1 . 1 . . . . 353 ILE N . 17942 1 455 . 1 1 37 37 ILE H H 1 7.661 0.01 . 1 . . . . 354 ILE H . 17942 1 456 . 1 1 37 37 ILE HA H 1 3.864 0.01 . 1 . . . . 354 ILE HA . 17942 1 457 . 1 1 37 37 ILE HB H 1 1.593 0.01 . 1 . . . . 354 ILE HB . 17942 1 458 . 1 1 37 37 ILE HG12 H 1 1.165 0.01 . 2 . . . . 354 ILE HG12 . 17942 1 459 . 1 1 37 37 ILE HG13 H 1 0.973 0.01 . 2 . . . . 354 ILE HG13 . 17942 1 460 . 1 1 37 37 ILE HG21 H 1 0.712 0.01 . 1 . . . . 354 ILE QG2 . 17942 1 461 . 1 1 37 37 ILE HG22 H 1 0.712 0.01 . 1 . . . . 354 ILE QG2 . 17942 1 462 . 1 1 37 37 ILE HG23 H 1 0.712 0.01 . 1 . . . . 354 ILE QG2 . 17942 1 463 . 1 1 37 37 ILE HD11 H 1 0.483 0.01 . 1 . . . . 354 ILE QD1 . 17942 1 464 . 1 1 37 37 ILE HD12 H 1 0.483 0.01 . 1 . . . . 354 ILE QD1 . 17942 1 465 . 1 1 37 37 ILE HD13 H 1 0.483 0.01 . 1 . . . . 354 ILE QD1 . 17942 1 466 . 1 1 37 37 ILE C C 13 176.635 0.2 . 1 . . . . 354 ILE C . 17942 1 467 . 1 1 37 37 ILE CA C 13 59.474 0.2 . 1 . . . . 354 ILE CA . 17942 1 468 . 1 1 37 37 ILE CB C 13 36.751 0.2 . 1 . . . . 354 ILE CB . 17942 1 469 . 1 1 37 37 ILE CG1 C 13 26.91 0.2 . 1 . . . . 354 ILE CG1 . 17942 1 470 . 1 1 37 37 ILE CG2 C 13 16.805 0.2 . 1 . . . . 354 ILE CG2 . 17942 1 471 . 1 1 37 37 ILE CD1 C 13 10.004 0.2 . 1 . . . . 354 ILE CD1 . 17942 1 472 . 1 1 37 37 ILE N N 15 126.517 0.1 . 1 . . . . 354 ILE N . 17942 1 473 . 1 1 38 38 GLU H H 1 9.1 0.01 . 1 . . . . 355 GLU H . 17942 1 474 . 1 1 38 38 GLU HA H 1 2.982 0.01 . 1 . . . . 355 GLU HA . 17942 1 475 . 1 1 38 38 GLU HB2 H 1 1.723 0.01 . 2 . . . . 355 GLU HB2 . 17942 1 476 . 1 1 38 38 GLU HB3 H 1 1.657 0.01 . 2 . . . . 355 GLU HB3 . 17942 1 477 . 1 1 38 38 GLU HG2 H 1 1.887 0.01 . 1 . . . . 355 GLU HG2 . 17942 1 478 . 1 1 38 38 GLU HG3 H 1 1.887 0.01 . 1 . . . . 355 GLU HG3 . 17942 1 479 . 1 1 38 38 GLU C C 13 177.513 0.2 . 1 . . . . 355 GLU C . 17942 1 480 . 1 1 38 38 GLU CA C 13 58.253 0.2 . 1 . . . . 355 GLU CA . 17942 1 481 . 1 1 38 38 GLU CB C 13 28.683 0.2 . 1 . . . . 355 GLU CB . 17942 1 482 . 1 1 38 38 GLU CG C 13 36.031 0.2 . 1 . . . . 355 GLU CG . 17942 1 483 . 1 1 38 38 GLU N N 15 133.392 0.1 . 1 . . . . 355 GLU N . 17942 1 484 . 1 1 39 39 GLY H H 1 9.496 0.01 . 1 . . . . 356 GLY H . 17942 1 485 . 1 1 39 39 GLY HA2 H 1 4.117 0.01 . 2 . . . . 356 GLY HA2 . 17942 1 486 . 1 1 39 39 GLY HA3 H 1 3.724 0.01 . 2 . . . . 356 GLY HA3 . 17942 1 487 . 1 1 39 39 GLY C C 13 174.801 0.2 . 1 . . . . 356 GLY C . 17942 1 488 . 1 1 39 39 GLY CA C 13 45.248 0.2 . 1 . . . . 356 GLY CA . 17942 1 489 . 1 1 39 39 GLY N N 15 116.359 0.1 . 1 . . . . 356 GLY N . 17942 1 490 . 1 1 40 40 GLY H H 1 7.661 0.01 . 1 . . . . 357 GLY H . 17942 1 491 . 1 1 40 40 GLY HA2 H 1 4.154 0.01 . 2 . . . . 357 GLY HA2 . 17942 1 492 . 1 1 40 40 GLY HA3 H 1 3.832 0.01 . 2 . . . . 357 GLY HA3 . 17942 1 493 . 1 1 40 40 GLY C C 13 173.464 0.2 . 1 . . . . 357 GLY C . 17942 1 494 . 1 1 40 40 GLY CA C 13 44.466 0.2 . 1 . . . . 357 GLY CA . 17942 1 495 . 1 1 40 40 GLY N N 15 106.514 0.1 . 1 . . . . 357 GLY N . 17942 1 496 . 1 1 41 41 ALA H H 1 8.615 0.01 . 1 . . . . 358 ALA H . 17942 1 497 . 1 1 41 41 ALA HA H 1 3.983 0.01 . 1 . . . . 358 ALA HA . 17942 1 498 . 1 1 41 41 ALA HB1 H 1 1.549 0.01 . 1 . . . . 358 ALA QB . 17942 1 499 . 1 1 41 41 ALA HB2 H 1 1.549 0.01 . 1 . . . . 358 ALA QB . 17942 1 500 . 1 1 41 41 ALA HB3 H 1 1.549 0.01 . 1 . . . . 358 ALA QB . 17942 1 501 . 1 1 41 41 ALA C C 13 181.23 0.2 . 1 . . . . 358 ALA C . 17942 1 502 . 1 1 41 41 ALA CA C 13 55.62 0.2 . 1 . . . . 358 ALA CA . 17942 1 503 . 1 1 41 41 ALA CB C 13 18.069 0.2 . 1 . . . . 358 ALA CB . 17942 1 504 . 1 1 41 41 ALA N N 15 120.266 0.1 . 1 . . . . 358 ALA N . 17942 1 505 . 1 1 42 42 ALA H H 1 8.145 0.01 . 1 . . . . 359 ALA H . 17942 1 506 . 1 1 42 42 ALA HA H 1 4.162 0.01 . 1 . . . . 359 ALA HA . 17942 1 507 . 1 1 42 42 ALA HB1 H 1 1.371 0.01 . 1 . . . . 359 ALA QB . 17942 1 508 . 1 1 42 42 ALA HB2 H 1 1.371 0.01 . 1 . . . . 359 ALA QB . 17942 1 509 . 1 1 42 42 ALA HB3 H 1 1.371 0.01 . 1 . . . . 359 ALA QB . 17942 1 510 . 1 1 42 42 ALA C C 13 181.244 0.2 . 1 . . . . 359 ALA C . 17942 1 511 . 1 1 42 42 ALA CA C 13 54.699 0.2 . 1 . . . . 359 ALA CA . 17942 1 512 . 1 1 42 42 ALA CB C 13 18.155 0.2 . 1 . . . . 359 ALA CB . 17942 1 513 . 1 1 42 42 ALA N N 15 119.485 0.1 . 1 . . . . 359 ALA N . 17942 1 514 . 1 1 43 43 HIS H H 1 9.731 0.01 . 1 . . . . 360 HIS H . 17942 1 515 . 1 1 43 43 HIS HA H 1 4.02 0.01 . 1 . . . . 360 HIS HA . 17942 1 516 . 1 1 43 43 HIS HB2 H 1 3.143 0.01 . 2 . . . . 360 HIS HB2 . 17942 1 517 . 1 1 43 43 HIS HB3 H 1 3.085 0.01 . 2 . . . . 360 HIS HB3 . 17942 1 518 . 1 1 43 43 HIS HD2 H 1 7.067 0.01 . 1 . . . . 360 HIS HD2 . 17942 1 519 . 1 1 43 43 HIS HE1 H 1 7.682 0.01 . 1 . . . . 360 HIS HE1 . 17942 1 520 . 1 1 43 43 HIS C C 13 177.013 0.2 . 1 . . . . 360 HIS C . 17942 1 521 . 1 1 43 43 HIS CA C 13 59.487 0.2 . 1 . . . . 360 HIS CA . 17942 1 522 . 1 1 43 43 HIS CB C 13 32.534 0.2 . 1 . . . . 360 HIS CB . 17942 1 523 . 1 1 43 43 HIS CD2 C 13 117.961 0.2 . 1 . . . . 360 HIS CD2 . 17942 1 524 . 1 1 43 43 HIS CE1 C 13 138.82 0.2 . 1 . . . . 360 HIS CE1 . 17942 1 525 . 1 1 43 43 HIS N N 15 125.266 0.1 . 1 . . . . 360 HIS N . 17942 1 526 . 1 1 44 44 LYS H H 1 8.33 0.01 . 1 . . . . 361 LYS H . 17942 1 527 . 1 1 44 44 LYS HA H 1 3.65 0.01 . 1 . . . . 361 LYS HA . 17942 1 528 . 1 1 44 44 LYS HB2 H 1 1.736 0.01 . 2 . . . . 361 LYS HB2 . 17942 1 529 . 1 1 44 44 LYS HB3 H 1 1.704 0.01 . 2 . . . . 361 LYS HB3 . 17942 1 530 . 1 1 44 44 LYS HG2 H 1 1.411 0.01 . 2 . . . . 361 LYS HG2 . 17942 1 531 . 1 1 44 44 LYS HG3 H 1 1.311 0.01 . 2 . . . . 361 LYS HG3 . 17942 1 532 . 1 1 44 44 LYS HD2 H 1 1.515 0.01 . 1 . . . . 361 LYS HD2 . 17942 1 533 . 1 1 44 44 LYS HD3 H 1 1.515 0.01 . 1 . . . . 361 LYS HD3 . 17942 1 534 . 1 1 44 44 LYS HE2 H 1 2.852 0.01 . 1 . . . . 361 LYS HE2 . 17942 1 535 . 1 1 44 44 LYS HE3 H 1 2.852 0.01 . 1 . . . . 361 LYS HE3 . 17942 1 536 . 1 1 44 44 LYS C C 13 178.597 0.2 . 1 . . . . 361 LYS C . 17942 1 537 . 1 1 44 44 LYS CA C 13 59 0.2 . 1 . . . . 361 LYS CA . 17942 1 538 . 1 1 44 44 LYS CB C 13 32.206 0.2 . 1 . . . . 361 LYS CB . 17942 1 539 . 1 1 44 44 LYS CG C 13 25.164 0.2 . 1 . . . . 361 LYS CG . 17942 1 540 . 1 1 44 44 LYS CD C 13 28.953 0.2 . 1 . . . . 361 LYS CD . 17942 1 541 . 1 1 44 44 LYS CE C 13 41.902 0.2 . 1 . . . . 361 LYS CE . 17942 1 542 . 1 1 44 44 LYS N N 15 117.968 0.1 . 1 . . . . 361 LYS N . 17942 1 543 . 1 1 45 45 ASP H H 1 7.382 0.01 . 1 . . . . 362 ASP H . 17942 1 544 . 1 1 45 45 ASP HA H 1 4.306 0.01 . 1 . . . . 362 ASP HA . 17942 1 545 . 1 1 45 45 ASP HB2 H 1 2.641 0.01 . 2 . . . . 362 ASP HB2 . 17942 1 546 . 1 1 45 45 ASP HB3 H 1 2.319 0.01 . 2 . . . . 362 ASP HB3 . 17942 1 547 . 1 1 45 45 ASP C C 13 177.728 0.2 . 1 . . . . 362 ASP C . 17942 1 548 . 1 1 45 45 ASP CA C 13 56.991 0.2 . 1 . . . . 362 ASP CA . 17942 1 549 . 1 1 45 45 ASP CB C 13 43.878 0.2 . 1 . . . . 362 ASP CB . 17942 1 550 . 1 1 45 45 ASP N N 15 116.828 0.1 . 1 . . . . 362 ASP N . 17942 1 551 . 1 1 46 46 GLY H H 1 7.345 0.01 . 1 . . . . 363 GLY H . 17942 1 552 . 1 1 46 46 GLY HA2 H 1 3.881 0.01 . 2 . . . . 363 GLY HA2 . 17942 1 553 . 1 1 46 46 GLY HA3 H 1 3.728 0.01 . 2 . . . . 363 GLY HA3 . 17942 1 554 . 1 1 46 46 GLY C C 13 174.612 0.2 . 1 . . . . 363 GLY C . 17942 1 555 . 1 1 46 46 GLY CA C 13 46.29 0.2 . 1 . . . . 363 GLY CA . 17942 1 556 . 1 1 46 46 GLY N N 15 103.389 0.1 . 1 . . . . 363 GLY N . 17942 1 557 . 1 1 47 47 LYS H H 1 7.705 0.01 . 1 . . . . 364 LYS H . 17942 1 558 . 1 1 47 47 LYS HA H 1 4.056 0.01 . 1 . . . . 364 LYS HA . 17942 1 559 . 1 1 47 47 LYS HB2 H 1 1.724 0.01 . 2 . . . . 364 LYS HB2 . 17942 1 560 . 1 1 47 47 LYS HB3 H 1 1.514 0.01 . 2 . . . . 364 LYS HB3 . 17942 1 561 . 1 1 47 47 LYS HG2 H 1 1.404 0.01 . 2 . . . . 364 LYS HG2 . 17942 1 562 . 1 1 47 47 LYS HG3 H 1 1.166 0.01 . 2 . . . . 364 LYS HG3 . 17942 1 563 . 1 1 47 47 LYS HD2 H 1 1.752 0.01 . 2 . . . . 364 LYS HD2 . 17942 1 564 . 1 1 47 47 LYS HD3 H 1 1.598 0.01 . 2 . . . . 364 LYS HD3 . 17942 1 565 . 1 1 47 47 LYS HE2 H 1 2.985 0.01 . 2 . . . . 364 LYS HE2 . 17942 1 566 . 1 1 47 47 LYS HE3 H 1 2.91 0.01 . 2 . . . . 364 LYS HE3 . 17942 1 567 . 1 1 47 47 LYS C C 13 177.736 0.2 . 1 . . . . 364 LYS C . 17942 1 568 . 1 1 47 47 LYS CA C 13 58.426 0.2 . 1 . . . . 364 LYS CA . 17942 1 569 . 1 1 47 47 LYS CB C 13 33.973 0.2 . 1 . . . . 364 LYS CB . 17942 1 570 . 1 1 47 47 LYS CG C 13 25.423 0.2 . 1 . . . . 364 LYS CG . 17942 1 571 . 1 1 47 47 LYS CD C 13 29.036 0.2 . 1 . . . . 364 LYS CD . 17942 1 572 . 1 1 47 47 LYS CE C 13 41.813 0.2 . 1 . . . . 364 LYS CE . 17942 1 573 . 1 1 47 47 LYS N N 15 119.797 0.1 . 1 . . . . 364 LYS N . 17942 1 574 . 1 1 48 48 LEU H H 1 9.32 0.01 . 1 . . . . 365 LEU H . 17942 1 575 . 1 1 48 48 LEU HA H 1 3.752 0.01 . 1 . . . . 365 LEU HA . 17942 1 576 . 1 1 48 48 LEU HB2 H 1 1.215 0.01 . 2 . . . . 365 LEU HB2 . 17942 1 577 . 1 1 48 48 LEU HB3 H 1 1.129 0.01 . 2 . . . . 365 LEU HB3 . 17942 1 578 . 1 1 48 48 LEU HG H 1 -0.351 0.01 . 1 . . . . 365 LEU HG . 17942 1 579 . 1 1 48 48 LEU HD11 H 1 1.113 0.01 . 2 . . . . 365 LEU QD1 . 17942 1 580 . 1 1 48 48 LEU HD12 H 1 1.113 0.01 . 2 . . . . 365 LEU QD1 . 17942 1 581 . 1 1 48 48 LEU HD13 H 1 1.113 0.01 . 2 . . . . 365 LEU QD1 . 17942 1 582 . 1 1 48 48 LEU HD21 H 1 0.539 0.01 . 2 . . . . 365 LEU QD2 . 17942 1 583 . 1 1 48 48 LEU HD22 H 1 0.539 0.01 . 2 . . . . 365 LEU QD2 . 17942 1 584 . 1 1 48 48 LEU HD23 H 1 0.539 0.01 . 2 . . . . 365 LEU QD2 . 17942 1 585 . 1 1 48 48 LEU C C 13 174.994 0.2 . 1 . . . . 365 LEU C . 17942 1 586 . 1 1 48 48 LEU CA C 13 55.12 0.2 . 1 . . . . 365 LEU CA . 17942 1 587 . 1 1 48 48 LEU CB C 13 43.5 0.2 . 1 . . . . 365 LEU CB . 17942 1 588 . 1 1 48 48 LEU CG C 13 25.796 0.2 . 1 . . . . 365 LEU CG . 17942 1 589 . 1 1 48 48 LEU CD1 C 13 26.219 0.2 . 2 . . . . 365 LEU CD1 . 17942 1 590 . 1 1 48 48 LEU CD2 C 13 24.384 0.2 . 2 . . . . 365 LEU CD2 . 17942 1 591 . 1 1 48 48 LEU N N 15 124.641 0.1 . 1 . . . . 365 LEU N . 17942 1 592 . 1 1 49 49 GLN H H 1 8.615 0.01 . 1 . . . . 366 GLN H . 17942 1 593 . 1 1 49 49 GLN HA H 1 4.418 0.01 . 1 . . . . 366 GLN HA . 17942 1 594 . 1 1 49 49 GLN HB2 H 1 1.872 0.01 . 2 . . . . 366 GLN HB2 . 17942 1 595 . 1 1 49 49 GLN HB3 H 1 1.684 0.01 . 2 . . . . 366 GLN HB3 . 17942 1 596 . 1 1 49 49 GLN HG2 H 1 2.166 0.01 . 2 . . . . 366 GLN HG2 . 17942 1 597 . 1 1 49 49 GLN HG3 H 1 2.087 0.01 . 2 . . . . 366 GLN HG3 . 17942 1 598 . 1 1 49 49 GLN HE21 H 1 7.147 0.01 . 2 . . . . 366 GLN HE21 . 17942 1 599 . 1 1 49 49 GLN HE22 H 1 6.678 0.01 . 2 . . . . 366 GLN HE22 . 17942 1 600 . 1 1 49 49 GLN C C 13 175.142 0.2 . 1 . . . . 366 GLN C . 17942 1 601 . 1 1 49 49 GLN CA C 13 53.438 0.2 . 1 . . . . 366 GLN CA . 17942 1 602 . 1 1 49 49 GLN CB C 13 33.34 0.2 . 1 . . . . 366 GLN CB . 17942 1 603 . 1 1 49 49 GLN CG C 13 33.783 0.2 . 1 . . . . 366 GLN CG . 17942 1 604 . 1 1 49 49 GLN N N 15 123.391 0.1 . 1 . . . . 366 GLN N . 17942 1 605 . 1 1 49 49 GLN NE2 N 15 113.859 0.1 . 1 . . . . 366 GLN NE2 . 17942 1 606 . 1 1 50 50 ILE H H 1 8.336 0.01 . 1 . . . . 367 ILE H . 17942 1 607 . 1 1 50 50 ILE HA H 1 3.196 0.01 . 1 . . . . 367 ILE HA . 17942 1 608 . 1 1 50 50 ILE HB H 1 1.513 0.01 . 1 . . . . 367 ILE HB . 17942 1 609 . 1 1 50 50 ILE HG12 H 1 1.48 0.01 . 2 . . . . 367 ILE HG12 . 17942 1 610 . 1 1 50 50 ILE HG13 H 1 0.629 0.01 . 2 . . . . 367 ILE HG13 . 17942 1 611 . 1 1 50 50 ILE HG21 H 1 0.739 0.01 . 1 . . . . 367 ILE QG2 . 17942 1 612 . 1 1 50 50 ILE HG22 H 1 0.739 0.01 . 1 . . . . 367 ILE QG2 . 17942 1 613 . 1 1 50 50 ILE HG23 H 1 0.739 0.01 . 1 . . . . 367 ILE QG2 . 17942 1 614 . 1 1 50 50 ILE HD11 H 1 0.797 0.01 . 1 . . . . 367 ILE QD1 . 17942 1 615 . 1 1 50 50 ILE HD12 H 1 0.797 0.01 . 1 . . . . 367 ILE QD1 . 17942 1 616 . 1 1 50 50 ILE HD13 H 1 0.797 0.01 . 1 . . . . 367 ILE QD1 . 17942 1 617 . 1 1 50 50 ILE C C 13 177.797 0.2 . 1 . . . . 367 ILE C . 17942 1 618 . 1 1 50 50 ILE CA C 13 63.845 0.2 . 1 . . . . 367 ILE CA . 17942 1 619 . 1 1 50 50 ILE CB C 13 37.478 0.2 . 1 . . . . 367 ILE CB . 17942 1 620 . 1 1 50 50 ILE CG1 C 13 28.182 0.2 . 1 . . . . 367 ILE CG1 . 17942 1 621 . 1 1 50 50 ILE CG2 C 13 17.391 0.2 . 1 . . . . 367 ILE CG2 . 17942 1 622 . 1 1 50 50 ILE CD1 C 13 13.431 0.2 . 1 . . . . 367 ILE CD1 . 17942 1 623 . 1 1 50 50 ILE N N 15 119.953 0.1 . 1 . . . . 367 ILE N . 17942 1 624 . 1 1 51 51 GLY H H 1 9.07 0.01 . 1 . . . . 368 GLY H . 17942 1 625 . 1 1 51 51 GLY HA2 H 1 4.36 0.01 . 2 . . . . 368 GLY HA2 . 17942 1 626 . 1 1 51 51 GLY HA3 H 1 3.531 0.01 . 2 . . . . 368 GLY HA3 . 17942 1 627 . 1 1 51 51 GLY C C 13 174.161 0.2 . 1 . . . . 368 GLY C . 17942 1 628 . 1 1 51 51 GLY CA C 13 44.392 0.2 . 1 . . . . 368 GLY CA . 17942 1 629 . 1 1 51 51 GLY N N 15 116.828 0.1 . 1 . . . . 368 GLY N . 17942 1 630 . 1 1 52 52 ASP H H 1 7.771 0.01 . 1 . . . . 369 ASP H . 17942 1 631 . 1 1 52 52 ASP HA H 1 4.472 0.01 . 1 . . . . 369 ASP HA . 17942 1 632 . 1 1 52 52 ASP HB2 H 1 2.472 0.01 . 2 . . . . 369 ASP HB2 . 17942 1 633 . 1 1 52 52 ASP HB3 H 1 2.079 0.01 . 2 . . . . 369 ASP HB3 . 17942 1 634 . 1 1 52 52 ASP C C 13 174.62 0.2 . 1 . . . . 369 ASP C . 17942 1 635 . 1 1 52 52 ASP CA C 13 55.878 0.2 . 1 . . . . 369 ASP CA . 17942 1 636 . 1 1 52 52 ASP CB C 13 40.328 0.2 . 1 . . . . 369 ASP CB . 17942 1 637 . 1 1 52 52 ASP N N 15 121.985 0.1 . 1 . . . . 369 ASP N . 17942 1 638 . 1 1 53 53 LYS H H 1 8.234 0.01 . 1 . . . . 370 LYS H . 17942 1 639 . 1 1 53 53 LYS HA H 1 4.55 0.01 . 1 . . . . 370 LYS HA . 17942 1 640 . 1 1 53 53 LYS HB2 H 1 1.572 0.01 . 2 . . . . 370 LYS HB2 . 17942 1 641 . 1 1 53 53 LYS HB3 H 1 1.531 0.01 . 2 . . . . 370 LYS HB3 . 17942 1 642 . 1 1 53 53 LYS HG2 H 1 0.801 0.01 . 2 . . . . 370 LYS HG2 . 17942 1 643 . 1 1 53 53 LYS HG3 H 1 0.618 0.01 . 2 . . . . 370 LYS HG3 . 17942 1 644 . 1 1 53 53 LYS HD2 H 1 1.496 0.01 . 2 . . . . 370 LYS HD2 . 17942 1 645 . 1 1 53 53 LYS HD3 H 1 1.421 0.01 . 2 . . . . 370 LYS HD3 . 17942 1 646 . 1 1 53 53 LYS HE2 H 1 2.805 0.01 . 2 . . . . 370 LYS HE2 . 17942 1 647 . 1 1 53 53 LYS HE3 H 1 2.623 0.01 . 2 . . . . 370 LYS HE3 . 17942 1 648 . 1 1 53 53 LYS C C 13 176.414 0.2 . 1 . . . . 370 LYS C . 17942 1 649 . 1 1 53 53 LYS CA C 13 53.976 0.2 . 1 . . . . 370 LYS CA . 17942 1 650 . 1 1 53 53 LYS CB C 13 34.984 0.2 . 1 . . . . 370 LYS CB . 17942 1 651 . 1 1 53 53 LYS CG C 13 24.972 0.2 . 1 . . . . 370 LYS CG . 17942 1 652 . 1 1 53 53 LYS CD C 13 29.69 0.2 . 1 . . . . 370 LYS CD . 17942 1 653 . 1 1 53 53 LYS CE C 13 41.489 0.2 . 1 . . . . 370 LYS CE . 17942 1 654 . 1 1 53 53 LYS N N 15 121.36 0.1 . 1 . . . . 370 LYS N . 17942 1 655 . 1 1 54 54 LEU H H 1 8.373 0.01 . 1 . . . . 371 LEU H . 17942 1 656 . 1 1 54 54 LEU HA H 1 4.361 0.01 . 1 . . . . 371 LEU HA . 17942 1 657 . 1 1 54 54 LEU HB2 H 1 1.325 0.01 . 2 . . . . 371 LEU HB2 . 17942 1 658 . 1 1 54 54 LEU HB3 H 1 1.06 0.01 . 2 . . . . 371 LEU HB3 . 17942 1 659 . 1 1 54 54 LEU HG H 1 1.327 0.01 . 1 . . . . 371 LEU HG . 17942 1 660 . 1 1 54 54 LEU HD11 H 1 0.703 0.01 . 2 . . . . 371 LEU QD1 . 17942 1 661 . 1 1 54 54 LEU HD12 H 1 0.703 0.01 . 2 . . . . 371 LEU QD1 . 17942 1 662 . 1 1 54 54 LEU HD13 H 1 0.703 0.01 . 2 . . . . 371 LEU QD1 . 17942 1 663 . 1 1 54 54 LEU HD21 H 1 0.515 0.01 . 2 . . . . 371 LEU QD2 . 17942 1 664 . 1 1 54 54 LEU HD22 H 1 0.515 0.01 . 2 . . . . 371 LEU QD2 . 17942 1 665 . 1 1 54 54 LEU HD23 H 1 0.515 0.01 . 2 . . . . 371 LEU QD2 . 17942 1 666 . 1 1 54 54 LEU C C 13 174.622 0.2 . 1 . . . . 371 LEU C . 17942 1 667 . 1 1 54 54 LEU CA C 13 54 0.2 . 1 . . . . 371 LEU CA . 17942 1 668 . 1 1 54 54 LEU CB C 13 42.678 0.2 . 1 . . . . 371 LEU CB . 17942 1 669 . 1 1 54 54 LEU CG C 13 27.334 0.2 . 1 . . . . 371 LEU CG . 17942 1 670 . 1 1 54 54 LEU CD1 C 13 26.517 0.2 . 2 . . . . 371 LEU CD1 . 17942 1 671 . 1 1 54 54 LEU CD2 C 13 24.713 0.2 . 2 . . . . 371 LEU CD2 . 17942 1 672 . 1 1 54 54 LEU N N 15 124.954 0.1 . 1 . . . . 371 LEU N . 17942 1 673 . 1 1 55 55 LEU H H 1 8.938 0.01 . 1 . . . . 372 LEU H . 17942 1 674 . 1 1 55 55 LEU HA H 1 4.185 0.01 . 1 . . . . 372 LEU HA . 17942 1 675 . 1 1 55 55 LEU HB2 H 1 1.428 0.01 . 2 . . . . 372 LEU HB2 . 17942 1 676 . 1 1 55 55 LEU HB3 H 1 1.232 0.01 . 2 . . . . 372 LEU HB3 . 17942 1 677 . 1 1 55 55 LEU HG H 1 1.315 0.01 . 1 . . . . 372 LEU HG . 17942 1 678 . 1 1 55 55 LEU HD11 H 1 0.644 0.01 . 2 . . . . 372 LEU QD1 . 17942 1 679 . 1 1 55 55 LEU HD12 H 1 0.644 0.01 . 2 . . . . 372 LEU QD1 . 17942 1 680 . 1 1 55 55 LEU HD13 H 1 0.644 0.01 . 2 . . . . 372 LEU QD1 . 17942 1 681 . 1 1 55 55 LEU HD21 H 1 0.622 0.01 . 2 . . . . 372 LEU QD2 . 17942 1 682 . 1 1 55 55 LEU HD22 H 1 0.622 0.01 . 2 . . . . 372 LEU QD2 . 17942 1 683 . 1 1 55 55 LEU HD23 H 1 0.622 0.01 . 2 . . . . 372 LEU QD2 . 17942 1 684 . 1 1 55 55 LEU C C 13 178.923 0.2 . 1 . . . . 372 LEU C . 17942 1 685 . 1 1 55 55 LEU CA C 13 55.465 0.2 . 1 . . . . 372 LEU CA . 17942 1 686 . 1 1 55 55 LEU CB C 13 42.566 0.2 . 1 . . . . 372 LEU CB . 17942 1 687 . 1 1 55 55 LEU CG C 13 26.995 0.2 . 1 . . . . 372 LEU CG . 17942 1 688 . 1 1 55 55 LEU CD1 C 13 25.601 0.2 . 2 . . . . 372 LEU CD1 . 17942 1 689 . 1 1 55 55 LEU CD2 C 13 22.674 0.2 . 2 . . . . 372 LEU CD2 . 17942 1 690 . 1 1 55 55 LEU N N 15 121.672 0.1 . 1 . . . . 372 LEU N . 17942 1 691 . 1 1 56 56 ALA H H 1 7.815 0.01 . 1 . . . . 373 ALA H . 17942 1 692 . 1 1 56 56 ALA HA H 1 4.895 0.01 . 1 . . . . 373 ALA HA . 17942 1 693 . 1 1 56 56 ALA HB1 H 1 1.141 0.01 . 1 . . . . 373 ALA QB . 17942 1 694 . 1 1 56 56 ALA HB2 H 1 1.141 0.01 . 1 . . . . 373 ALA QB . 17942 1 695 . 1 1 56 56 ALA HB3 H 1 1.141 0.01 . 1 . . . . 373 ALA QB . 17942 1 696 . 1 1 56 56 ALA C C 13 175.185 0.2 . 1 . . . . 373 ALA C . 17942 1 697 . 1 1 56 56 ALA CA C 13 52.335 0.2 . 1 . . . . 373 ALA CA . 17942 1 698 . 1 1 56 56 ALA CB C 13 22.343 0.2 . 1 . . . . 373 ALA CB . 17942 1 699 . 1 1 56 56 ALA N N 15 120.266 0.1 . 1 . . . . 373 ALA N . 17942 1 700 . 1 1 57 57 VAL H H 1 8.41 0.01 . 1 . . . . 374 VAL H . 17942 1 701 . 1 1 57 57 VAL HA H 1 4.801 0.01 . 1 . . . . 374 VAL HA . 17942 1 702 . 1 1 57 57 VAL HB H 1 1.642 0.01 . 1 . . . . 374 VAL HB . 17942 1 703 . 1 1 57 57 VAL HG11 H 1 0.75 0.01 . 2 . . . . 374 VAL QG1 . 17942 1 704 . 1 1 57 57 VAL HG12 H 1 0.75 0.01 . 2 . . . . 374 VAL QG1 . 17942 1 705 . 1 1 57 57 VAL HG13 H 1 0.75 0.01 . 2 . . . . 374 VAL QG1 . 17942 1 706 . 1 1 57 57 VAL HG21 H 1 0.733 0.01 . 2 . . . . 374 VAL QG2 . 17942 1 707 . 1 1 57 57 VAL HG22 H 1 0.733 0.01 . 2 . . . . 374 VAL QG2 . 17942 1 708 . 1 1 57 57 VAL HG23 H 1 0.733 0.01 . 2 . . . . 374 VAL QG2 . 17942 1 709 . 1 1 57 57 VAL C C 13 173.653 0.2 . 1 . . . . 374 VAL C . 17942 1 710 . 1 1 57 57 VAL CA C 13 58.587 0.2 . 1 . . . . 374 VAL CA . 17942 1 711 . 1 1 57 57 VAL CB C 13 33.536 0.2 . 1 . . . . 374 VAL CB . 17942 1 712 . 1 1 57 57 VAL CG1 C 13 22.416 0.2 . 2 . . . . 374 VAL CG1 . 17942 1 713 . 1 1 57 57 VAL CG2 C 13 19.331 0.2 . 2 . . . . 374 VAL CG2 . 17942 1 714 . 1 1 57 57 VAL N N 15 116.984 0.1 . 1 . . . . 374 VAL N . 17942 1 715 . 1 1 58 58 ASN H H 1 9.804 0.01 . 1 . . . . 375 ASN H . 17942 1 716 . 1 1 58 58 ASN HA H 1 4.308 0.01 . 1 . . . . 375 ASN HA . 17942 1 717 . 1 1 58 58 ASN HB2 H 1 3.103 0.01 . 2 . . . . 375 ASN HB2 . 17942 1 718 . 1 1 58 58 ASN HB3 H 1 2.917 0.01 . 2 . . . . 375 ASN HB3 . 17942 1 719 . 1 1 58 58 ASN HD21 H 1 7.955 0.01 . 2 . . . . 375 ASN HD21 . 17942 1 720 . 1 1 58 58 ASN HD22 H 1 7.067 0.01 . 2 . . . . 375 ASN HD22 . 17942 1 721 . 1 1 58 58 ASN C C 13 174.763 0.2 . 1 . . . . 375 ASN C . 17942 1 722 . 1 1 58 58 ASN CA C 13 54.849 0.2 . 1 . . . . 375 ASN CA . 17942 1 723 . 1 1 58 58 ASN CB C 13 36.205 0.2 . 1 . . . . 375 ASN CB . 17942 1 724 . 1 1 58 58 ASN N N 15 128.079 0.1 . 1 . . . . 375 ASN N . 17942 1 725 . 1 1 58 58 ASN ND2 N 15 111.984 0.1 . 1 . . . . 375 ASN ND2 . 17942 1 726 . 1 1 59 59 ASN H H 1 8.547 0.01 . 1 . . . . 376 ASN H . 17942 1 727 . 1 1 59 59 ASN HA H 1 4.401 0.01 . 1 . . . . 376 ASN HA . 17942 1 728 . 1 1 59 59 ASN HB2 H 1 2.844 0.01 . 1 . . . . 376 ASN HB2 . 17942 1 729 . 1 1 59 59 ASN HB3 H 1 2.844 0.01 . 1 . . . . 376 ASN HB3 . 17942 1 730 . 1 1 59 59 ASN HD21 H 1 7.47 0.01 . 2 . . . . 376 ASN HD21 . 17942 1 731 . 1 1 59 59 ASN HD22 H 1 6.824 0.01 . 2 . . . . 376 ASN HD22 . 17942 1 732 . 1 1 59 59 ASN C C 13 174.338 0.2 . 1 . . . . 376 ASN C . 17942 1 733 . 1 1 59 59 ASN CA C 13 54.05 0.2 . 1 . . . . 376 ASN CA . 17942 1 734 . 1 1 59 59 ASN CB C 13 37.839 0.2 . 1 . . . . 376 ASN CB . 17942 1 735 . 1 1 59 59 ASN ND2 N 15 113.234 0.1 . 1 . . . . 376 ASN ND2 . 17942 1 736 . 1 1 60 60 VAL H H 1 8.703 0.01 . 1 . . . . 377 VAL H . 17942 1 737 . 1 1 60 60 VAL HA H 1 3.884 0.01 . 1 . . . . 377 VAL HA . 17942 1 738 . 1 1 60 60 VAL HB H 1 2.234 0.01 . 1 . . . . 377 VAL HB . 17942 1 739 . 1 1 60 60 VAL HG11 H 1 0.878 0.01 . 2 . . . . 377 VAL QG1 . 17942 1 740 . 1 1 60 60 VAL HG12 H 1 0.878 0.01 . 2 . . . . 377 VAL QG1 . 17942 1 741 . 1 1 60 60 VAL HG13 H 1 0.878 0.01 . 2 . . . . 377 VAL QG1 . 17942 1 742 . 1 1 60 60 VAL HG21 H 1 0.709 0.01 . 2 . . . . 377 VAL QG2 . 17942 1 743 . 1 1 60 60 VAL HG22 H 1 0.709 0.01 . 2 . . . . 377 VAL QG2 . 17942 1 744 . 1 1 60 60 VAL HG23 H 1 0.709 0.01 . 2 . . . . 377 VAL QG2 . 17942 1 745 . 1 1 60 60 VAL C C 13 175.014 0.2 . 1 . . . . 377 VAL C . 17942 1 746 . 1 1 60 60 VAL CA C 13 62.863 0.2 . 1 . . . . 377 VAL CA . 17942 1 747 . 1 1 60 60 VAL CB C 13 31.711 0.2 . 1 . . . . 377 VAL CB . 17942 1 748 . 1 1 60 60 VAL CG1 C 13 20.931 0.2 . 2 . . . . 377 VAL CG1 . 17942 1 749 . 1 1 60 60 VAL CG2 C 13 20.773 0.2 . 2 . . . . 377 VAL CG2 . 17942 1 750 . 1 1 60 60 VAL N N 15 124.173 0.1 . 1 . . . . 377 VAL N . 17942 1 751 . 1 1 61 61 CYS H H 1 8.578 0.01 . 1 . . . . 378 CYS H . 17942 1 752 . 1 1 61 61 CYS HA H 1 4.028 0.01 . 1 . . . . 378 CYS HA . 17942 1 753 . 1 1 61 61 CYS HB2 H 1 3.069 0.01 . 2 . . . . 378 CYS HB2 . 17942 1 754 . 1 1 61 61 CYS HB3 H 1 2.712 0.01 . 2 . . . . 378 CYS HB3 . 17942 1 755 . 1 1 61 61 CYS C C 13 174.857 0.2 . 1 . . . . 378 CYS C . 17942 1 756 . 1 1 61 61 CYS CA C 13 60.252 0.2 . 1 . . . . 378 CYS CA . 17942 1 757 . 1 1 61 61 CYS CB C 13 27.689 0.2 . 1 . . . . 378 CYS CB . 17942 1 758 . 1 1 61 61 CYS N N 15 127.767 0.1 . 1 . . . . 378 CYS N . 17942 1 759 . 1 1 62 62 LEU H H 1 8.138 0.01 . 1 . . . . 379 LEU H . 17942 1 760 . 1 1 62 62 LEU HA H 1 4.538 0.01 . 1 . . . . 379 LEU HA . 17942 1 761 . 1 1 62 62 LEU HB2 H 1 1.542 0.01 . 2 . . . . 379 LEU HB2 . 17942 1 762 . 1 1 62 62 LEU HB3 H 1 1.005 0.01 . 2 . . . . 379 LEU HB3 . 17942 1 763 . 1 1 62 62 LEU HG H 1 1.513 0.01 . 1 . . . . 379 LEU HG . 17942 1 764 . 1 1 62 62 LEU HD11 H 1 0.606 0.01 . 2 . . . . 379 LEU QD1 . 17942 1 765 . 1 1 62 62 LEU HD12 H 1 0.606 0.01 . 2 . . . . 379 LEU QD1 . 17942 1 766 . 1 1 62 62 LEU HD13 H 1 0.606 0.01 . 2 . . . . 379 LEU QD1 . 17942 1 767 . 1 1 62 62 LEU HD21 H 1 0.523 0.01 . 2 . . . . 379 LEU QD2 . 17942 1 768 . 1 1 62 62 LEU HD22 H 1 0.523 0.01 . 2 . . . . 379 LEU QD2 . 17942 1 769 . 1 1 62 62 LEU HD23 H 1 0.523 0.01 . 2 . . . . 379 LEU QD2 . 17942 1 770 . 1 1 62 62 LEU C C 13 175.872 0.2 . 1 . . . . 379 LEU C . 17942 1 771 . 1 1 62 62 LEU CA C 13 53.785 0.2 . 1 . . . . 379 LEU CA . 17942 1 772 . 1 1 62 62 LEU CB C 13 41.643 0.2 . 1 . . . . 379 LEU CB . 17942 1 773 . 1 1 62 62 LEU CG C 13 26.714 0.2 . 1 . . . . 379 LEU CG . 17942 1 774 . 1 1 62 62 LEU CD1 C 13 23.262 0.2 . 2 . . . . 379 LEU CD1 . 17942 1 775 . 1 1 62 62 LEU CD2 C 13 26.486 0.2 . 2 . . . . 379 LEU CD2 . 17942 1 776 . 1 1 62 62 LEU N N 15 126.517 0.1 . 1 . . . . 379 LEU N . 17942 1 777 . 1 1 63 63 GLU H H 1 8.035 0.01 . 1 . . . . 380 GLU H . 17942 1 778 . 1 1 63 63 GLU HA H 1 4.31 0.01 . 1 . . . . 380 GLU HA . 17942 1 779 . 1 1 63 63 GLU HB2 H 1 1.931 0.01 . 2 . . . . 380 GLU HB2 . 17942 1 780 . 1 1 63 63 GLU HB3 H 1 1.826 0.01 . 2 . . . . 380 GLU HB3 . 17942 1 781 . 1 1 63 63 GLU HG2 H 1 2.289 0.01 . 2 . . . . 380 GLU HG2 . 17942 1 782 . 1 1 63 63 GLU HG3 H 1 2.017 0.01 . 2 . . . . 380 GLU HG3 . 17942 1 783 . 1 1 63 63 GLU C C 13 174.772 0.2 . 1 . . . . 380 GLU C . 17942 1 784 . 1 1 63 63 GLU CA C 13 57.288 0.2 . 1 . . . . 380 GLU CA . 17942 1 785 . 1 1 63 63 GLU CB C 13 31.346 0.2 . 1 . . . . 380 GLU CB . 17942 1 786 . 1 1 63 63 GLU CG C 13 38.089 0.2 . 1 . . . . 380 GLU CG . 17942 1 787 . 1 1 63 63 GLU N N 15 122.61 0.1 . 1 . . . . 380 GLU N . 17942 1 788 . 1 1 64 64 GLU H H 1 8.505 0.01 . 1 . . . . 381 GLU H . 17942 1 789 . 1 1 64 64 GLU HA H 1 3.5 0.01 . 1 . . . . 381 GLU HA . 17942 1 790 . 1 1 64 64 GLU HB2 H 1 1.995 0.01 . 2 . . . . 381 GLU HB2 . 17942 1 791 . 1 1 64 64 GLU HB3 H 1 1.919 0.01 . 2 . . . . 381 GLU HB3 . 17942 1 792 . 1 1 64 64 GLU HG2 H 1 2.202 0.01 . 2 . . . . 381 GLU HG2 . 17942 1 793 . 1 1 64 64 GLU HG3 H 1 1.964 0.01 . 2 . . . . 381 GLU HG3 . 17942 1 794 . 1 1 64 64 GLU C C 13 175.032 0.2 . 1 . . . . 381 GLU C . 17942 1 795 . 1 1 64 64 GLU CA C 13 56.09 0.2 . 1 . . . . 381 GLU CA . 17942 1 796 . 1 1 64 64 GLU CB C 13 26.629 0.2 . 1 . . . . 381 GLU CB . 17942 1 797 . 1 1 64 64 GLU CG C 13 35.555 0.2 . 1 . . . . 381 GLU CG . 17942 1 798 . 1 1 64 64 GLU N N 15 121.829 0.1 . 1 . . . . 381 GLU N . 17942 1 799 . 1 1 65 65 VAL H H 1 8.498 0.01 . 1 . . . . 382 VAL H . 17942 1 800 . 1 1 65 65 VAL HA H 1 4.768 0.01 . 1 . . . . 382 VAL HA . 17942 1 801 . 1 1 65 65 VAL HB H 1 2.282 0.01 . 1 . . . . 382 VAL HB . 17942 1 802 . 1 1 65 65 VAL HG11 H 1 0.688 0.01 . 2 . . . . 382 VAL QG1 . 17942 1 803 . 1 1 65 65 VAL HG12 H 1 0.688 0.01 . 2 . . . . 382 VAL QG1 . 17942 1 804 . 1 1 65 65 VAL HG13 H 1 0.688 0.01 . 2 . . . . 382 VAL QG1 . 17942 1 805 . 1 1 65 65 VAL HG21 H 1 0.587 0.01 . 2 . . . . 382 VAL QG2 . 17942 1 806 . 1 1 65 65 VAL HG22 H 1 0.587 0.01 . 2 . . . . 382 VAL QG2 . 17942 1 807 . 1 1 65 65 VAL HG23 H 1 0.587 0.01 . 2 . . . . 382 VAL QG2 . 17942 1 808 . 1 1 65 65 VAL C C 13 176.703 0.2 . 1 . . . . 382 VAL C . 17942 1 809 . 1 1 65 65 VAL CA C 13 58.461 0.2 . 1 . . . . 382 VAL CA . 17942 1 810 . 1 1 65 65 VAL CB C 13 34.29 0.2 . 1 . . . . 382 VAL CB . 17942 1 811 . 1 1 65 65 VAL CG1 C 13 21.73 0.2 . 2 . . . . 382 VAL CG1 . 17942 1 812 . 1 1 65 65 VAL CG2 C 13 17.969 0.2 . 2 . . . . 382 VAL CG2 . 17942 1 813 . 1 1 65 65 VAL N N 15 113.078 0.1 . 1 . . . . 382 VAL N . 17942 1 814 . 1 1 66 66 THR H H 1 8.578 0.01 . 1 . . . . 383 THR H . 17942 1 815 . 1 1 66 66 THR HA H 1 4.522 0.01 . 1 . . . . 383 THR HA . 17942 1 816 . 1 1 66 66 THR HB H 1 4.724 0.01 . 1 . . . . 383 THR HB . 17942 1 817 . 1 1 66 66 THR HG21 H 1 1.21 0.01 . 1 . . . . 383 THR QG2 . 17942 1 818 . 1 1 66 66 THR HG22 H 1 1.21 0.01 . 1 . . . . 383 THR QG2 . 17942 1 819 . 1 1 66 66 THR HG23 H 1 1.21 0.01 . 1 . . . . 383 THR QG2 . 17942 1 820 . 1 1 66 66 THR C C 13 175.037 0.2 . 1 . . . . 383 THR C . 17942 1 821 . 1 1 66 66 THR CA C 13 61.408 0.2 . 1 . . . . 383 THR CA . 17942 1 822 . 1 1 66 66 THR CB C 13 70.783 0.2 . 1 . . . . 383 THR CB . 17942 1 823 . 1 1 66 66 THR CG2 C 13 21.772 0.2 . 1 . . . . 383 THR CG2 . 17942 1 824 . 1 1 66 66 THR N N 15 110.89 0.1 . 1 . . . . 383 THR N . 17942 1 825 . 1 1 67 67 HIS H H 1 9.687 0.01 . 1 . . . . 384 HIS H . 17942 1 826 . 1 1 67 67 HIS HA H 1 3.757 0.01 . 1 . . . . 384 HIS HA . 17942 1 827 . 1 1 67 67 HIS HB2 H 1 3.388 0.01 . 2 . . . . 384 HIS HB2 . 17942 1 828 . 1 1 67 67 HIS HB3 H 1 2.995 0.01 . 2 . . . . 384 HIS HB3 . 17942 1 829 . 1 1 67 67 HIS HD2 H 1 6.578 0.01 . 1 . . . . 384 HIS HD2 . 17942 1 830 . 1 1 67 67 HIS HE1 H 1 7.682 0.01 . 1 . . . . 384 HIS HE1 . 17942 1 831 . 1 1 67 67 HIS C C 13 177.03 0.2 . 1 . . . . 384 HIS C . 17942 1 832 . 1 1 67 67 HIS CA C 13 61.175 0.2 . 1 . . . . 384 HIS CA . 17942 1 833 . 1 1 67 67 HIS CB C 13 28.806 0.2 . 1 . . . . 384 HIS CB . 17942 1 834 . 1 1 67 67 HIS CD2 C 13 127.599 0.2 . 1 . . . . 384 HIS CD2 . 17942 1 835 . 1 1 67 67 HIS CE1 C 13 137.206 0.2 . 1 . . . . 384 HIS CE1 . 17942 1 836 . 1 1 67 67 HIS N N 15 121.516 0.1 . 1 . . . . 384 HIS N . 17942 1 837 . 1 1 68 68 GLU H H 1 8.733 0.01 . 1 . . . . 385 GLU H . 17942 1 838 . 1 1 68 68 GLU HA H 1 3.797 0.01 . 1 . . . . 385 GLU HA . 17942 1 839 . 1 1 68 68 GLU HB2 H 1 1.973 0.01 . 2 . . . . 385 GLU HB2 . 17942 1 840 . 1 1 68 68 GLU HB3 H 1 1.814 0.01 . 2 . . . . 385 GLU HB3 . 17942 1 841 . 1 1 68 68 GLU HG2 H 1 2.321 0.01 . 2 . . . . 385 GLU HG2 . 17942 1 842 . 1 1 68 68 GLU HG3 H 1 2.176 0.01 . 2 . . . . 385 GLU HG3 . 17942 1 843 . 1 1 68 68 GLU C C 13 179.56 0.2 . 1 . . . . 385 GLU C . 17942 1 844 . 1 1 68 68 GLU CA C 13 60.12 0.2 . 1 . . . . 385 GLU CA . 17942 1 845 . 1 1 68 68 GLU CB C 13 28.88 0.2 . 1 . . . . 385 GLU CB . 17942 1 846 . 1 1 68 68 GLU CG C 13 36.927 0.2 . 1 . . . . 385 GLU CG . 17942 1 847 . 1 1 68 68 GLU N N 15 114.797 0.1 . 1 . . . . 385 GLU N . 17942 1 848 . 1 1 69 69 GLU H H 1 7.764 0.01 . 1 . . . . 386 GLU H . 17942 1 849 . 1 1 69 69 GLU HA H 1 3.778 0.01 . 1 . . . . 386 GLU HA . 17942 1 850 . 1 1 69 69 GLU HB2 H 1 2.25 0.01 . 2 . . . . 386 GLU HB2 . 17942 1 851 . 1 1 69 69 GLU HB3 H 1 1.724 0.01 . 2 . . . . 386 GLU HB3 . 17942 1 852 . 1 1 69 69 GLU HG2 H 1 2.211 0.01 . 2 . . . . 386 GLU HG2 . 17942 1 853 . 1 1 69 69 GLU HG3 H 1 2.111 0.01 . 2 . . . . 386 GLU HG3 . 17942 1 854 . 1 1 69 69 GLU C C 13 179.757 0.2 . 1 . . . . 386 GLU C . 17942 1 855 . 1 1 69 69 GLU CA C 13 59.327 0.2 . 1 . . . . 386 GLU CA . 17942 1 856 . 1 1 69 69 GLU CB C 13 30.028 0.2 . 1 . . . . 386 GLU CB . 17942 1 857 . 1 1 69 69 GLU CG C 13 37.706 0.2 . 1 . . . . 386 GLU CG . 17942 1 858 . 1 1 69 69 GLU N N 15 120.578 0.1 . 1 . . . . 386 GLU N . 17942 1 859 . 1 1 70 70 ALA H H 1 7.823 0.01 . 1 . . . . 387 ALA H . 17942 1 860 . 1 1 70 70 ALA HA H 1 3.746 0.01 . 1 . . . . 387 ALA HA . 17942 1 861 . 1 1 70 70 ALA HB1 H 1 1.128 0.01 . 1 . . . . 387 ALA QB . 17942 1 862 . 1 1 70 70 ALA HB2 H 1 1.128 0.01 . 1 . . . . 387 ALA QB . 17942 1 863 . 1 1 70 70 ALA HB3 H 1 1.128 0.01 . 1 . . . . 387 ALA QB . 17942 1 864 . 1 1 70 70 ALA C C 13 178.278 0.2 . 1 . . . . 387 ALA C . 17942 1 865 . 1 1 70 70 ALA CA C 13 55.025 0.2 . 1 . . . . 387 ALA CA . 17942 1 866 . 1 1 70 70 ALA CB C 13 18.283 0.2 . 1 . . . . 387 ALA CB . 17942 1 867 . 1 1 70 70 ALA N N 15 122.766 0.1 . 1 . . . . 387 ALA N . 17942 1 868 . 1 1 71 71 VAL H H 1 8.234 0.01 . 1 . . . . 388 VAL H . 17942 1 869 . 1 1 71 71 VAL HA H 1 2.966 0.01 . 1 . . . . 388 VAL HA . 17942 1 870 . 1 1 71 71 VAL HB H 1 1.908 0.01 . 1 . . . . 388 VAL HB . 17942 1 871 . 1 1 71 71 VAL HG11 H 1 0.707 0.01 . 2 . . . . 388 VAL QG1 . 17942 1 872 . 1 1 71 71 VAL HG12 H 1 0.707 0.01 . 2 . . . . 388 VAL QG1 . 17942 1 873 . 1 1 71 71 VAL HG13 H 1 0.707 0.01 . 2 . . . . 388 VAL QG1 . 17942 1 874 . 1 1 71 71 VAL HG21 H 1 0.546 0.01 . 2 . . . . 388 VAL QG2 . 17942 1 875 . 1 1 71 71 VAL HG22 H 1 0.546 0.01 . 2 . . . . 388 VAL QG2 . 17942 1 876 . 1 1 71 71 VAL HG23 H 1 0.546 0.01 . 2 . . . . 388 VAL QG2 . 17942 1 877 . 1 1 71 71 VAL C C 13 177.857 0.2 . 1 . . . . 388 VAL C . 17942 1 878 . 1 1 71 71 VAL CA C 13 67.534 0.2 . 1 . . . . 388 VAL CA . 17942 1 879 . 1 1 71 71 VAL CB C 13 31.787 0.2 . 1 . . . . 388 VAL CB . 17942 1 880 . 1 1 71 71 VAL CG1 C 13 21.945 0.2 . 2 . . . . 388 VAL CG1 . 17942 1 881 . 1 1 71 71 VAL CG2 C 13 24.502 0.2 . 2 . . . . 388 VAL CG2 . 17942 1 882 . 1 1 71 71 VAL N N 15 117.453 0.1 . 1 . . . . 388 VAL N . 17942 1 883 . 1 1 72 72 THR H H 1 8.241 0.01 . 1 . . . . 389 THR H . 17942 1 884 . 1 1 72 72 THR HA H 1 3.575 0.01 . 1 . . . . 389 THR HA . 17942 1 885 . 1 1 72 72 THR HB H 1 4.007 0.01 . 1 . . . . 389 THR HB . 17942 1 886 . 1 1 72 72 THR HG21 H 1 1.071 0.01 . 1 . . . . 389 THR QG2 . 17942 1 887 . 1 1 72 72 THR HG22 H 1 1.071 0.01 . 1 . . . . 389 THR QG2 . 17942 1 888 . 1 1 72 72 THR HG23 H 1 1.071 0.01 . 1 . . . . 389 THR QG2 . 17942 1 889 . 1 1 72 72 THR C C 13 175.951 0.2 . 1 . . . . 389 THR C . 17942 1 890 . 1 1 72 72 THR CA C 13 66.988 0.2 . 1 . . . . 389 THR CA . 17942 1 891 . 1 1 72 72 THR CB C 13 68.65 0.2 . 1 . . . . 389 THR CB . 17942 1 892 . 1 1 72 72 THR CG2 C 13 21.581 0.2 . 1 . . . . 389 THR CG2 . 17942 1 893 . 1 1 72 72 THR N N 15 115.578 0.1 . 1 . . . . 389 THR N . 17942 1 894 . 1 1 73 73 ALA H H 1 7.61 0.01 . 1 . . . . 390 ALA H . 17942 1 895 . 1 1 73 73 ALA HA H 1 3.952 0.01 . 1 . . . . 390 ALA HA . 17942 1 896 . 1 1 73 73 ALA HB1 H 1 1.267 0.01 . 1 . . . . 390 ALA QB . 17942 1 897 . 1 1 73 73 ALA HB2 H 1 1.267 0.01 . 1 . . . . 390 ALA QB . 17942 1 898 . 1 1 73 73 ALA HB3 H 1 1.267 0.01 . 1 . . . . 390 ALA QB . 17942 1 899 . 1 1 73 73 ALA C C 13 179.566 0.2 . 1 . . . . 390 ALA C . 17942 1 900 . 1 1 73 73 ALA CA C 13 54.876 0.2 . 1 . . . . 390 ALA CA . 17942 1 901 . 1 1 73 73 ALA CB C 13 18.158 0.2 . 1 . . . . 390 ALA CB . 17942 1 902 . 1 1 73 73 ALA N N 15 121.672 0.1 . 1 . . . . 390 ALA N . 17942 1 903 . 1 1 74 74 LEU H H 1 7.8 0.01 . 1 . . . . 391 LEU H . 17942 1 904 . 1 1 74 74 LEU HA H 1 3.795 0.01 . 1 . . . . 391 LEU HA . 17942 1 905 . 1 1 74 74 LEU HB2 H 1 1.783 0.01 . 2 . . . . 391 LEU HB2 . 17942 1 906 . 1 1 74 74 LEU HB3 H 1 0.998 0.01 . 2 . . . . 391 LEU HB3 . 17942 1 907 . 1 1 74 74 LEU HG H 1 1.535 0.01 . 1 . . . . 391 LEU HG . 17942 1 908 . 1 1 74 74 LEU HD11 H 1 0.686 0.01 . 2 . . . . 391 LEU QD1 . 17942 1 909 . 1 1 74 74 LEU HD12 H 1 0.686 0.01 . 2 . . . . 391 LEU QD1 . 17942 1 910 . 1 1 74 74 LEU HD13 H 1 0.686 0.01 . 2 . . . . 391 LEU QD1 . 17942 1 911 . 1 1 74 74 LEU HD21 H 1 0.639 0.01 . 2 . . . . 391 LEU QD2 . 17942 1 912 . 1 1 74 74 LEU HD22 H 1 0.639 0.01 . 2 . . . . 391 LEU QD2 . 17942 1 913 . 1 1 74 74 LEU HD23 H 1 0.639 0.01 . 2 . . . . 391 LEU QD2 . 17942 1 914 . 1 1 74 74 LEU C C 13 178.991 0.2 . 1 . . . . 391 LEU C . 17942 1 915 . 1 1 74 74 LEU CA C 13 57.626 0.2 . 1 . . . . 391 LEU CA . 17942 1 916 . 1 1 74 74 LEU CB C 13 42.266 0.2 . 1 . . . . 391 LEU CB . 17942 1 917 . 1 1 74 74 LEU CG C 13 28.077 0.2 . 1 . . . . 391 LEU CG . 17942 1 918 . 1 1 74 74 LEU CD1 C 13 23.956 0.2 . 2 . . . . 391 LEU CD1 . 17942 1 919 . 1 1 74 74 LEU CD2 C 13 26.473 0.2 . 2 . . . . 391 LEU CD2 . 17942 1 920 . 1 1 74 74 LEU N N 15 115.734 0.1 . 1 . . . . 391 LEU N . 17942 1 921 . 1 1 75 75 LYS H H 1 8.498 0.01 . 1 . . . . 392 LYS H . 17942 1 922 . 1 1 75 75 LYS HA H 1 4.148 0.01 . 1 . . . . 392 LYS HA . 17942 1 923 . 1 1 75 75 LYS HB2 H 1 1.72 0.01 . 1 . . . . 392 LYS HB2 . 17942 1 924 . 1 1 75 75 LYS HB3 H 1 1.72 0.01 . 1 . . . . 392 LYS HB3 . 17942 1 925 . 1 1 75 75 LYS HG2 H 1 1.532 0.01 . 2 . . . . 392 LYS HG2 . 17942 1 926 . 1 1 75 75 LYS HG3 H 1 1.282 0.01 . 2 . . . . 392 LYS HG3 . 17942 1 927 . 1 1 75 75 LYS HD2 H 1 1.51 0.01 . 2 . . . . 392 LYS HD2 . 17942 1 928 . 1 1 75 75 LYS HD3 H 1 1.434 0.01 . 2 . . . . 392 LYS HD3 . 17942 1 929 . 1 1 75 75 LYS HE2 H 1 2.812 0.01 . 2 . . . . 392 LYS HE2 . 17942 1 930 . 1 1 75 75 LYS HE3 H 1 2.728 0.01 . 2 . . . . 392 LYS HE3 . 17942 1 931 . 1 1 75 75 LYS C C 13 178.342 0.2 . 1 . . . . 392 LYS C . 17942 1 932 . 1 1 75 75 LYS CA C 13 58.529 0.2 . 1 . . . . 392 LYS CA . 17942 1 933 . 1 1 75 75 LYS CB C 13 32.717 0.2 . 1 . . . . 392 LYS CB . 17942 1 934 . 1 1 75 75 LYS CG C 13 25.842 0.2 . 1 . . . . 392 LYS CG . 17942 1 935 . 1 1 75 75 LYS CD C 13 29.407 0.2 . 1 . . . . 392 LYS CD . 17942 1 936 . 1 1 75 75 LYS CE C 13 41.976 0.2 . 1 . . . . 392 LYS CE . 17942 1 937 . 1 1 75 75 LYS N N 15 119.641 0.1 . 1 . . . . 392 LYS N . 17942 1 938 . 1 1 76 76 ASN H H 1 7.646 0.01 . 1 . . . . 393 ASN H . 17942 1 939 . 1 1 76 76 ASN HA H 1 4.819 0.01 . 1 . . . . 393 ASN HA . 17942 1 940 . 1 1 76 76 ASN HB2 H 1 2.835 0.01 . 2 . . . . 393 ASN HB2 . 17942 1 941 . 1 1 76 76 ASN HB3 H 1 2.697 0.01 . 2 . . . . 393 ASN HB3 . 17942 1 942 . 1 1 76 76 ASN HD21 H 1 7.632 0.01 . 2 . . . . 393 ASN HD21 . 17942 1 943 . 1 1 76 76 ASN HD22 H 1 6.795 0.01 . 2 . . . . 393 ASN HD22 . 17942 1 944 . 1 1 76 76 ASN C C 13 175.178 0.2 . 1 . . . . 393 ASN C . 17942 1 945 . 1 1 76 76 ASN CA C 13 52.587 0.2 . 1 . . . . 393 ASN CA . 17942 1 946 . 1 1 76 76 ASN CB C 13 36.972 0.2 . 1 . . . . 393 ASN CB . 17942 1 947 . 1 1 76 76 ASN N N 15 120.11 0.1 . 1 . . . . 393 ASN N . 17942 1 948 . 1 1 76 76 ASN ND2 N 15 112.14 0.1 . 1 . . . . 393 ASN ND2 . 17942 1 949 . 1 1 77 77 THR H H 1 7.492 0.01 . 1 . . . . 394 THR H . 17942 1 950 . 1 1 77 77 THR HA H 1 4.299 0.01 . 1 . . . . 394 THR HA . 17942 1 951 . 1 1 77 77 THR HB H 1 4.122 0.01 . 1 . . . . 394 THR HB . 17942 1 952 . 1 1 77 77 THR HG21 H 1 1.129 0.01 . 1 . . . . 394 THR QG2 . 17942 1 953 . 1 1 77 77 THR HG22 H 1 1.129 0.01 . 1 . . . . 394 THR QG2 . 17942 1 954 . 1 1 77 77 THR HG23 H 1 1.129 0.01 . 1 . . . . 394 THR QG2 . 17942 1 955 . 1 1 77 77 THR C C 13 174.593 0.2 . 1 . . . . 394 THR C . 17942 1 956 . 1 1 77 77 THR CA C 13 60.044 0.2 . 1 . . . . 394 THR CA . 17942 1 957 . 1 1 77 77 THR CB C 13 72.015 0.2 . 1 . . . . 394 THR CB . 17942 1 958 . 1 1 77 77 THR CG2 C 13 22.295 0.2 . 1 . . . . 394 THR CG2 . 17942 1 959 . 1 1 77 77 THR N N 15 110.198 0.1 . 1 . . . . 394 THR N . 17942 1 960 . 1 1 78 78 SER H H 1 8.344 0.01 . 1 . . . . 395 SER H . 17942 1 961 . 1 1 78 78 SER HA H 1 4.384 0.01 . 1 . . . . 395 SER HA . 17942 1 962 . 1 1 78 78 SER HB2 H 1 3.767 0.01 . 1 . . . . 395 SER HB2 . 17942 1 963 . 1 1 78 78 SER HB3 H 1 3.767 0.01 . 1 . . . . 395 SER HB3 . 17942 1 964 . 1 1 78 78 SER C C 13 172.696 0.2 . 1 . . . . 395 SER C . 17942 1 965 . 1 1 78 78 SER CA C 13 57.504 0.2 . 1 . . . . 395 SER CA . 17942 1 966 . 1 1 78 78 SER CB C 13 64.027 0.2 . 1 . . . . 395 SER CB . 17942 1 967 . 1 1 78 78 SER N N 15 115.578 0.1 . 1 . . . . 395 SER N . 17942 1 968 . 1 1 79 79 ASP H H 1 8.329 0.01 . 1 . . . . 396 ASP H . 17942 1 969 . 1 1 79 79 ASP HA H 1 4.03 0.01 . 1 . . . . 396 ASP HA . 17942 1 970 . 1 1 79 79 ASP HB2 H 1 2.436 0.01 . 1 . . . . 396 ASP HB2 . 17942 1 971 . 1 1 79 79 ASP HB3 H 1 2.436 0.01 . 1 . . . . 396 ASP HB3 . 17942 1 972 . 1 1 79 79 ASP C C 13 175.068 0.2 . 1 . . . . 396 ASP C . 17942 1 973 . 1 1 79 79 ASP CA C 13 56.89 0.2 . 1 . . . . 396 ASP CA . 17942 1 974 . 1 1 79 79 ASP CB C 13 40.302 0.2 . 1 . . . . 396 ASP CB . 17942 1 975 . 1 1 79 79 ASP N N 15 117.766 0.1 . 1 . . . . 396 ASP N . 17942 1 976 . 1 1 80 80 PHE H H 1 7.756 0.01 . 1 . . . . 397 PHE H . 17942 1 977 . 1 1 80 80 PHE HA H 1 4.891 0.01 . 1 . . . . 397 PHE HA . 17942 1 978 . 1 1 80 80 PHE HB2 H 1 2.862 0.01 . 2 . . . . 397 PHE HB2 . 17942 1 979 . 1 1 80 80 PHE HB3 H 1 2.591 0.01 . 2 . . . . 397 PHE HB3 . 17942 1 980 . 1 1 80 80 PHE HD1 H 1 7.214 0.01 . 3 . . . . 397 PHE HD1 . 17942 1 981 . 1 1 80 80 PHE HD2 H 1 7.214 0.01 . 3 . . . . 397 PHE HD2 . 17942 1 982 . 1 1 80 80 PHE HE1 H 1 7.007 0.01 . 3 . . . . 397 PHE HE1 . 17942 1 983 . 1 1 80 80 PHE HE2 H 1 7.007 0.01 . 3 . . . . 397 PHE HE2 . 17942 1 984 . 1 1 80 80 PHE HZ H 1 7.175 0.01 . 1 . . . . 397 PHE HZ . 17942 1 985 . 1 1 80 80 PHE C C 13 175.074 0.2 . 1 . . . . 397 PHE C . 17942 1 986 . 1 1 80 80 PHE CA C 13 56.767 0.2 . 1 . . . . 397 PHE CA . 17942 1 987 . 1 1 80 80 PHE CB C 13 40.077 0.2 . 1 . . . . 397 PHE CB . 17942 1 988 . 1 1 80 80 PHE CD1 C 13 131.341 0.2 . 3 . . . . 397 PHE CD1 . 17942 1 989 . 1 1 80 80 PHE CD2 C 13 131.341 0.2 . 3 . . . . 397 PHE CD2 . 17942 1 990 . 1 1 80 80 PHE CE1 C 13 131.66 0.2 . 3 . . . . 397 PHE CE1 . 17942 1 991 . 1 1 80 80 PHE CE2 C 13 131.66 0.2 . 3 . . . . 397 PHE CE2 . 17942 1 992 . 1 1 80 80 PHE CZ C 13 129.77 0.2 . 1 . . . . 397 PHE CZ . 17942 1 993 . 1 1 80 80 PHE N N 15 117.766 0.1 . 1 . . . . 397 PHE N . 17942 1 994 . 1 1 81 81 VAL H H 1 8.975 0.01 . 1 . . . . 398 VAL H . 17942 1 995 . 1 1 81 81 VAL HA H 1 4.329 0.01 . 1 . . . . 398 VAL HA . 17942 1 996 . 1 1 81 81 VAL HB H 1 1.727 0.01 . 1 . . . . 398 VAL HB . 17942 1 997 . 1 1 81 81 VAL HG11 H 1 0.821 0.01 . 2 . . . . 398 VAL QG1 . 17942 1 998 . 1 1 81 81 VAL HG12 H 1 0.821 0.01 . 2 . . . . 398 VAL QG1 . 17942 1 999 . 1 1 81 81 VAL HG13 H 1 0.821 0.01 . 2 . . . . 398 VAL QG1 . 17942 1 1000 . 1 1 81 81 VAL HG21 H 1 0.773 0.01 . 2 . . . . 398 VAL QG2 . 17942 1 1001 . 1 1 81 81 VAL HG22 H 1 0.773 0.01 . 2 . . . . 398 VAL QG2 . 17942 1 1002 . 1 1 81 81 VAL HG23 H 1 0.773 0.01 . 2 . . . . 398 VAL QG2 . 17942 1 1003 . 1 1 81 81 VAL C C 13 173.519 0.2 . 1 . . . . 398 VAL C . 17942 1 1004 . 1 1 81 81 VAL CA C 13 61.422 0.2 . 1 . . . . 398 VAL CA . 17942 1 1005 . 1 1 81 81 VAL CB C 13 34.47 0.2 . 1 . . . . 398 VAL CB . 17942 1 1006 . 1 1 81 81 VAL CG1 C 13 22.066 0.2 . 2 . . . . 398 VAL CG1 . 17942 1 1007 . 1 1 81 81 VAL CG2 C 13 22.265 0.2 . 2 . . . . 398 VAL CG2 . 17942 1 1008 . 1 1 81 81 VAL N N 15 123.547 0.1 . 1 . . . . 398 VAL N . 17942 1 1009 . 1 1 82 82 TYR H H 1 8.711 0.01 . 1 . . . . 399 TYR H . 17942 1 1010 . 1 1 82 82 TYR HA H 1 4.895 0.01 . 1 . . . . 399 TYR HA . 17942 1 1011 . 1 1 82 82 TYR HB2 H 1 2.951 0.01 . 2 . . . . 399 TYR HB2 . 17942 1 1012 . 1 1 82 82 TYR HB3 H 1 2.746 0.01 . 2 . . . . 399 TYR HB3 . 17942 1 1013 . 1 1 82 82 TYR HD1 H 1 7.024 0.01 . 3 . . . . 399 TYR HD1 . 17942 1 1014 . 1 1 82 82 TYR HD2 H 1 7.024 0.01 . 3 . . . . 399 TYR HD2 . 17942 1 1015 . 1 1 82 82 TYR HE1 H 1 6.631 0.01 . 3 . . . . 399 TYR HE1 . 17942 1 1016 . 1 1 82 82 TYR HE2 H 1 6.631 0.01 . 3 . . . . 399 TYR HE2 . 17942 1 1017 . 1 1 82 82 TYR C C 13 175.994 0.2 . 1 . . . . 399 TYR C . 17942 1 1018 . 1 1 82 82 TYR CA C 13 56.847 0.2 . 1 . . . . 399 TYR CA . 17942 1 1019 . 1 1 82 82 TYR CB C 13 38.647 0.2 . 1 . . . . 399 TYR CB . 17942 1 1020 . 1 1 82 82 TYR CD1 C 13 133.375 0.2 . 3 . . . . 399 TYR CD1 . 17942 1 1021 . 1 1 82 82 TYR CD2 C 13 133.375 0.2 . 3 . . . . 399 TYR CD2 . 17942 1 1022 . 1 1 82 82 TYR CE1 C 13 117.615 0.2 . 3 . . . . 399 TYR CE1 . 17942 1 1023 . 1 1 82 82 TYR CE2 C 13 117.615 0.2 . 3 . . . . 399 TYR CE2 . 17942 1 1024 . 1 1 82 82 TYR N N 15 125.266 0.1 . 1 . . . . 399 TYR N . 17942 1 1025 . 1 1 83 83 LEU H H 1 9.386 0.01 . 1 . . . . 400 LEU H . 17942 1 1026 . 1 1 83 83 LEU HA H 1 4.947 0.01 . 1 . . . . 400 LEU HA . 17942 1 1027 . 1 1 83 83 LEU HB2 H 1 1.633 0.01 . 2 . . . . 400 LEU HB2 . 17942 1 1028 . 1 1 83 83 LEU HB3 H 1 1.096 0.01 . 2 . . . . 400 LEU HB3 . 17942 1 1029 . 1 1 83 83 LEU HG H 1 1.509 0.01 . 1 . . . . 400 LEU HG . 17942 1 1030 . 1 1 83 83 LEU HD11 H 1 0.73 0.01 . 2 . . . . 400 LEU QD1 . 17942 1 1031 . 1 1 83 83 LEU HD12 H 1 0.73 0.01 . 2 . . . . 400 LEU QD1 . 17942 1 1032 . 1 1 83 83 LEU HD13 H 1 0.73 0.01 . 2 . . . . 400 LEU QD1 . 17942 1 1033 . 1 1 83 83 LEU HD21 H 1 0.648 0.01 . 2 . . . . 400 LEU QD2 . 17942 1 1034 . 1 1 83 83 LEU HD22 H 1 0.648 0.01 . 2 . . . . 400 LEU QD2 . 17942 1 1035 . 1 1 83 83 LEU HD23 H 1 0.648 0.01 . 2 . . . . 400 LEU QD2 . 17942 1 1036 . 1 1 83 83 LEU C C 13 175.47 0.2 . 1 . . . . 400 LEU C . 17942 1 1037 . 1 1 83 83 LEU CA C 13 53.328 0.2 . 1 . . . . 400 LEU CA . 17942 1 1038 . 1 1 83 83 LEU CB C 13 44.374 0.2 . 1 . . . . 400 LEU CB . 17942 1 1039 . 1 1 83 83 LEU CG C 13 26.37 0.2 . 1 . . . . 400 LEU CG . 17942 1 1040 . 1 1 83 83 LEU CD1 C 13 24.254 0.2 . 2 . . . . 400 LEU CD1 . 17942 1 1041 . 1 1 83 83 LEU CD2 C 13 26.522 0.2 . 2 . . . . 400 LEU CD2 . 17942 1 1042 . 1 1 83 83 LEU N N 15 125.891 0.1 . 1 . . . . 400 LEU N . 17942 1 1043 . 1 1 84 84 LYS H H 1 8.204 0.01 . 1 . . . . 401 LYS H . 17942 1 1044 . 1 1 84 84 LYS HA H 1 4.956 0.01 . 1 . . . . 401 LYS HA . 17942 1 1045 . 1 1 84 84 LYS HB2 H 1 1.624 0.01 . 1 . . . . 401 LYS HB2 . 17942 1 1046 . 1 1 84 84 LYS HB3 H 1 1.624 0.01 . 1 . . . . 401 LYS HB3 . 17942 1 1047 . 1 1 84 84 LYS HG2 H 1 1.406 0.01 . 2 . . . . 401 LYS HG2 . 17942 1 1048 . 1 1 84 84 LYS HG3 H 1 1.152 0.01 . 2 . . . . 401 LYS HG3 . 17942 1 1049 . 1 1 84 84 LYS HD2 H 1 1.485 0.01 . 1 . . . . 401 LYS HD2 . 17942 1 1050 . 1 1 84 84 LYS HD3 H 1 1.485 0.01 . 1 . . . . 401 LYS HD3 . 17942 1 1051 . 1 1 84 84 LYS HE2 H 1 2.768 0.01 . 1 . . . . 401 LYS HE2 . 17942 1 1052 . 1 1 84 84 LYS HE3 H 1 2.768 0.01 . 1 . . . . 401 LYS HE3 . 17942 1 1053 . 1 1 84 84 LYS C C 13 175.87 0.2 . 1 . . . . 401 LYS C . 17942 1 1054 . 1 1 84 84 LYS CA C 13 55.628 0.2 . 1 . . . . 401 LYS CA . 17942 1 1055 . 1 1 84 84 LYS CB C 13 34.332 0.2 . 1 . . . . 401 LYS CB . 17942 1 1056 . 1 1 84 84 LYS CG C 13 25.293 0.2 . 1 . . . . 401 LYS CG . 17942 1 1057 . 1 1 84 84 LYS CD C 13 29.226 0.2 . 1 . . . . 401 LYS CD . 17942 1 1058 . 1 1 84 84 LYS CE C 13 41.833 0.2 . 1 . . . . 401 LYS CE . 17942 1 1059 . 1 1 84 84 LYS N N 15 123.704 0.1 . 1 . . . . 401 LYS N . 17942 1 1060 . 1 1 85 85 VAL H H 1 8.791 0.01 . 1 . . . . 402 VAL H . 17942 1 1061 . 1 1 85 85 VAL HA H 1 5.067 0.01 . 1 . . . . 402 VAL HA . 17942 1 1062 . 1 1 85 85 VAL HB H 1 1.759 0.01 . 1 . . . . 402 VAL HB . 17942 1 1063 . 1 1 85 85 VAL HG11 H 1 0.629 0.01 . 2 . . . . 402 VAL QG1 . 17942 1 1064 . 1 1 85 85 VAL HG12 H 1 0.629 0.01 . 2 . . . . 402 VAL QG1 . 17942 1 1065 . 1 1 85 85 VAL HG13 H 1 0.629 0.01 . 2 . . . . 402 VAL QG1 . 17942 1 1066 . 1 1 85 85 VAL HG21 H 1 0.566 0.01 . 2 . . . . 402 VAL QG2 . 17942 1 1067 . 1 1 85 85 VAL HG22 H 1 0.566 0.01 . 2 . . . . 402 VAL QG2 . 17942 1 1068 . 1 1 85 85 VAL HG23 H 1 0.566 0.01 . 2 . . . . 402 VAL QG2 . 17942 1 1069 . 1 1 85 85 VAL C C 13 174.365 0.2 . 1 . . . . 402 VAL C . 17942 1 1070 . 1 1 85 85 VAL CA C 13 59.459 0.2 . 1 . . . . 402 VAL CA . 17942 1 1071 . 1 1 85 85 VAL CB C 13 36 0.2 . 1 . . . . 402 VAL CB . 17942 1 1072 . 1 1 85 85 VAL CG1 C 13 21.346 0.2 . 2 . . . . 402 VAL CG1 . 17942 1 1073 . 1 1 85 85 VAL CG2 C 13 20.202 0.2 . 2 . . . . 402 VAL CG2 . 17942 1 1074 . 1 1 85 85 VAL N N 15 121.516 0.1 . 1 . . . . 402 VAL N . 17942 1 1075 . 1 1 86 86 ALA H H 1 9.07 0.01 . 1 . . . . 403 ALA H . 17942 1 1076 . 1 1 86 86 ALA HA H 1 4.716 0.01 . 1 . . . . 403 ALA HA . 17942 1 1077 . 1 1 86 86 ALA HB1 H 1 1.235 0.01 . 1 . . . . 403 ALA QB . 17942 1 1078 . 1 1 86 86 ALA HB2 H 1 1.235 0.01 . 1 . . . . 403 ALA QB . 17942 1 1079 . 1 1 86 86 ALA HB3 H 1 1.235 0.01 . 1 . . . . 403 ALA QB . 17942 1 1080 . 1 1 86 86 ALA C C 13 176.458 0.2 . 1 . . . . 403 ALA C . 17942 1 1081 . 1 1 86 86 ALA CA C 13 50.39 0.2 . 1 . . . . 403 ALA CA . 17942 1 1082 . 1 1 86 86 ALA CB C 13 21.205 0.2 . 1 . . . . 403 ALA CB . 17942 1 1083 . 1 1 86 86 ALA N N 15 126.517 0.1 . 1 . . . . 403 ALA N . 17942 1 1084 . 1 1 87 87 LYS H H 1 8.52 0.01 . 1 . . . . 404 LYS H . 17942 1 1085 . 1 1 87 87 LYS HA H 1 4.648 0.01 . 1 . . . . 404 LYS HA . 17942 1 1086 . 1 1 87 87 LYS HB2 H 1 1.737 0.01 . 2 . . . . 404 LYS HB2 . 17942 1 1087 . 1 1 87 87 LYS HB3 H 1 1.583 0.01 . 2 . . . . 404 LYS HB3 . 17942 1 1088 . 1 1 87 87 LYS HG2 H 1 1.412 0.01 . 1 . . . . 404 LYS HG2 . 17942 1 1089 . 1 1 87 87 LYS HG3 H 1 1.412 0.01 . 1 . . . . 404 LYS HG3 . 17942 1 1090 . 1 1 87 87 LYS HD2 H 1 1.407 0.01 . 1 . . . . 404 LYS HD2 . 17942 1 1091 . 1 1 87 87 LYS HD3 H 1 1.407 0.01 . 1 . . . . 404 LYS HD3 . 17942 1 1092 . 1 1 87 87 LYS HE2 H 1 2.845 0.01 . 1 . . . . 404 LYS HE2 . 17942 1 1093 . 1 1 87 87 LYS HE3 H 1 2.845 0.01 . 1 . . . . 404 LYS HE3 . 17942 1 1094 . 1 1 87 87 LYS C C 13 175.187 0.2 . 1 . . . . 404 LYS C . 17942 1 1095 . 1 1 87 87 LYS CA C 13 53.058 0.2 . 1 . . . . 404 LYS CA . 17942 1 1096 . 1 1 87 87 LYS CB C 13 31.499 0.2 . 1 . . . . 404 LYS CB . 17942 1 1097 . 1 1 87 87 LYS CG C 13 24.744 0.2 . 1 . . . . 404 LYS CG . 17942 1 1098 . 1 1 87 87 LYS CD C 13 25.218 0.2 . 1 . . . . 404 LYS CD . 17942 1 1099 . 1 1 87 87 LYS CE C 13 41.572 0.2 . 1 . . . . 404 LYS CE . 17942 1 1100 . 1 1 87 87 LYS N N 15 124.641 0.1 . 1 . . . . 404 LYS N . 17942 1 1101 . 1 1 88 88 PRO HA H 1 4.465 0.01 . 1 . . . . 405 PRO HA . 17942 1 1102 . 1 1 88 88 PRO HB2 H 1 2.236 0.01 . 2 . . . . 405 PRO HB2 . 17942 1 1103 . 1 1 88 88 PRO HB3 H 1 1.832 0.01 . 2 . . . . 405 PRO HB3 . 17942 1 1104 . 1 1 88 88 PRO HG2 H 1 1.958 0.01 . 1 . . . . 405 PRO HG2 . 17942 1 1105 . 1 1 88 88 PRO HG3 H 1 1.958 0.01 . 1 . . . . 405 PRO HG3 . 17942 1 1106 . 1 1 88 88 PRO HD2 H 1 3.888 0.01 . 2 . . . . 405 PRO HD2 . 17942 1 1107 . 1 1 88 88 PRO HD3 H 1 3.553 0.01 . 2 . . . . 405 PRO HD3 . 17942 1 1108 . 1 1 88 88 PRO C C 13 177.355 0.2 . 1 . . . . 405 PRO C . 17942 1 1109 . 1 1 88 88 PRO CA C 13 63.329 0.2 . 1 . . . . 405 PRO CA . 17942 1 1110 . 1 1 88 88 PRO CB C 13 31.905 0.2 . 1 . . . . 405 PRO CB . 17942 1 1111 . 1 1 88 88 PRO CG C 13 27.622 0.2 . 1 . . . . 405 PRO CG . 17942 1 1112 . 1 1 88 88 PRO CD C 13 51.092 0.2 . 1 . . . . 405 PRO CD . 17942 1 1113 . 1 1 89 89 THR H H 1 8.287 0.01 . 1 . . . . 406 THR H . 17942 1 1114 . 1 1 89 89 THR HA H 1 4.213 0.01 . 1 . . . . 406 THR HA . 17942 1 1115 . 1 1 89 89 THR HB H 1 4.124 0.01 . 1 . . . . 406 THR HB . 17942 1 1116 . 1 1 89 89 THR HG21 H 1 1.113 0.01 . 1 . . . . 406 THR QG2 . 17942 1 1117 . 1 1 89 89 THR HG22 H 1 1.113 0.01 . 1 . . . . 406 THR QG2 . 17942 1 1118 . 1 1 89 89 THR HG23 H 1 1.113 0.01 . 1 . . . . 406 THR QG2 . 17942 1 1119 . 1 1 89 89 THR C C 13 175.322 0.2 . 1 . . . . 406 THR C . 17942 1 1120 . 1 1 89 89 THR CA C 13 61.881 0.2 . 1 . . . . 406 THR CA . 17942 1 1121 . 1 1 89 89 THR CB C 13 69.765 0.2 . 1 . . . . 406 THR CB . 17942 1 1122 . 1 1 89 89 THR CG2 C 13 21.412 0.2 . 1 . . . . 406 THR CG2 . 17942 1 1123 . 1 1 89 89 THR N N 15 114.178 0.1 . 1 . . . . 406 THR N . 17942 1 1124 . 1 1 90 90 GLY H H 1 8.336 0.01 . 1 . . . . 407 GLY H . 17942 1 1125 . 1 1 90 90 GLY HA2 H 1 3.895 0.01 . 2 . . . . 407 GLY HA2 . 17942 1 1126 . 1 1 90 90 GLY HA3 H 1 3.876 0.01 . 2 . . . . 407 GLY HA3 . 17942 1 1127 . 1 1 90 90 GLY C C 13 174.177 0.2 . 1 . . . . 407 GLY C . 17942 1 1128 . 1 1 90 90 GLY CA C 13 45.103 0.2 . 1 . . . . 407 GLY CA . 17942 1 1129 . 1 1 90 90 GLY N N 15 110.89 0.1 . 1 . . . . 407 GLY N . 17942 1 1130 . 1 1 91 91 SER H H 1 8.131 0.01 . 1 . . . . 408 SER H . 17942 1 1131 . 1 1 91 91 SER HA H 1 4.244 0.01 . 1 . . . . 408 SER HA . 17942 1 1132 . 1 1 91 91 SER HB2 H 1 3.645 0.01 . 1 . . . . 408 SER HB2 . 17942 1 1133 . 1 1 91 91 SER HB3 H 1 3.645 0.01 . 1 . . . . 408 SER HB3 . 17942 1 1134 . 1 1 91 91 SER C C 13 174.472 0.2 . 1 . . . . 408 SER C . 17942 1 1135 . 1 1 91 91 SER CA C 13 58.223 0.2 . 1 . . . . 408 SER CA . 17942 1 1136 . 1 1 91 91 SER CB C 13 63.594 0.2 . 1 . . . . 408 SER CB . 17942 1 1137 . 1 1 91 91 SER N N 15 115.265 0.1 . 1 . . . . 408 SER N . 17942 1 1138 . 1 1 92 92 HIS H H 1 8.395 0.01 . 1 . . . . 409 HIS H . 17942 1 1139 . 1 1 92 92 HIS HA H 1 4.497 0.01 . 1 . . . . 409 HIS HA . 17942 1 1140 . 1 1 92 92 HIS HB2 H 1 2.985 0.01 . 2 . . . . 409 HIS HB2 . 17942 1 1141 . 1 1 92 92 HIS HB3 H 1 2.904 0.01 . 2 . . . . 409 HIS HB3 . 17942 1 1142 . 1 1 92 92 HIS C C 13 174.528 0.2 . 1 . . . . 409 HIS C . 17942 1 1143 . 1 1 92 92 HIS CA C 13 55.665 0.2 . 1 . . . . 409 HIS CA . 17942 1 1144 . 1 1 92 92 HIS CB C 13 29.789 0.2 . 1 . . . . 409 HIS CB . 17942 1 1145 . 1 1 92 92 HIS N N 15 120.578 0.1 . 1 . . . . 409 HIS N . 17942 1 1146 . 1 1 93 93 HIS H H 1 8.52 0.01 . 1 . . . . 410 HIS H . 17942 1 1147 . 1 1 93 93 HIS HA H 1 4.47 0.01 . 1 . . . . 410 HIS HA . 17942 1 1148 . 1 1 93 93 HIS HB2 H 1 2.975 0.01 . 2 . . . . 410 HIS HB2 . 17942 1 1149 . 1 1 93 93 HIS HB3 H 1 2.898 0.01 . 2 . . . . 410 HIS HB3 . 17942 1 1150 . 1 1 93 93 HIS C C 13 173.781 0.2 . 1 . . . . 410 HIS C . 17942 1 1151 . 1 1 93 93 HIS CA C 13 55.721 0.2 . 1 . . . . 410 HIS CA . 17942 1 1152 . 1 1 93 93 HIS CB C 13 29.636 0.2 . 1 . . . . 410 HIS CB . 17942 1 1153 . 1 1 93 93 HIS N N 15 120.578 0.1 . 1 . . . . 410 HIS N . 17942 1 1154 . 1 1 94 94 HIS H H 1 8.16 0.01 . 1 . . . . 411 HIS H . 17942 1 1155 . 1 1 94 94 HIS HA H 1 4.296 0.01 . 1 . . . . 411 HIS HA . 17942 1 1156 . 1 1 94 94 HIS HB2 H 1 3.083 0.01 . 2 . . . . 411 HIS HB2 . 17942 1 1157 . 1 1 94 94 HIS HB3 H 1 2.954 0.01 . 2 . . . . 411 HIS HB3 . 17942 1 1158 . 1 1 94 94 HIS C C 13 178.977 0.2 . 1 . . . . 411 HIS C . 17942 1 1159 . 1 1 94 94 HIS CA C 13 57.223 0.2 . 1 . . . . 411 HIS CA . 17942 1 1160 . 1 1 94 94 HIS CB C 13 29.822 0.2 . 1 . . . . 411 HIS CB . 17942 1 1161 . 1 1 94 94 HIS N N 15 125.178 0.1 . 1 . . . . 411 HIS N . 17942 1 1162 . 2 2 1 1 PCA H H 1 7.82 0.01 . 1 . . . . 141 PCA H . 17942 1 1163 . 2 2 1 1 PCA HA H 1 4.278 0.01 . 1 . . . . 141 PCA HA . 17942 1 1164 . 2 2 1 1 PCA HB2 H 1 2.436 0.01 . 2 . . . . 141 PCA HB2 . 17942 1 1165 . 2 2 1 1 PCA HB3 H 1 1.951 0.01 . 2 . . . . 141 PCA HB3 . 17942 1 1166 . 2 2 1 1 PCA HG2 H 1 2.293 0.01 . 1 . . . . 141 PCA HG2 . 17942 1 1167 . 2 2 1 1 PCA HG3 H 1 2.293 0.01 . 1 . . . . 141 PCA HG3 . 17942 1 1168 . 2 2 1 1 PCA C C 13 177.884 0.2 . 1 . . . . 141 PCA C . 17942 1 1169 . 2 2 1 1 PCA CA C 13 59.317 0.2 . 1 . . . . 141 PCA CA . 17942 1 1170 . 2 2 1 1 PCA CB C 13 27.89 0.2 . 1 . . . . 141 PCA CB . 17942 1 1171 . 2 2 1 1 PCA CG C 13 31.922 0.2 . 1 . . . . 141 PCA CG . 17942 1 1172 . 2 2 1 1 PCA CD C 13 177.617 0.2 . 1 . . . . 141 PCA CD . 17942 1 1173 . 2 2 1 1 PCA N N 15 125.431 0.1 . 1 . . . . 141 PCA N . 17942 1 1174 . 2 2 2 2 ARG H H 1 8.454 0.01 . 1 . . . . 142 ARG H . 17942 1 1175 . 2 2 2 2 ARG HA H 1 4.272 0.01 . 1 . . . . 142 ARG HA . 17942 1 1176 . 2 2 2 2 ARG HB2 H 1 1.764 0.01 . 2 . . . . 142 ARG HB2 . 17942 1 1177 . 2 2 2 2 ARG HB3 H 1 1.684 0.01 . 2 . . . . 142 ARG HB3 . 17942 1 1178 . 2 2 2 2 ARG HG2 H 1 1.53 0.01 . 2 . . . . 142 ARG HG2 . 17942 1 1179 . 2 2 2 2 ARG HG3 H 1 1.51 0.01 . 2 . . . . 142 ARG HG3 . 17942 1 1180 . 2 2 2 2 ARG HD2 H 1 3.088 0.01 . 1 . . . . 142 ARG HD2 . 17942 1 1181 . 2 2 2 2 ARG HD3 H 1 3.088 0.01 . 1 . . . . 142 ARG HD3 . 17942 1 1182 . 2 2 2 2 ARG C C 13 176.623 0.2 . 1 . . . . 142 ARG C . 17942 1 1183 . 2 2 2 2 ARG CA C 13 56.386 0.2 . 1 . . . . 142 ARG CA . 17942 1 1184 . 2 2 2 2 ARG CB C 13 30.571 0.2 . 1 . . . . 142 ARG CB . 17942 1 1185 . 2 2 2 2 ARG CG C 13 27.056 0.2 . 1 . . . . 142 ARG CG . 17942 1 1186 . 2 2 2 2 ARG CD C 13 43.163 0.2 . 1 . . . . 142 ARG CD . 17942 1 1187 . 2 2 2 2 ARG N N 15 121.216 0.1 . 1 . . . . 142 ARG N . 17942 1 1188 . 2 2 3 3 THR H H 1 8.136 0.01 . 1 . . . . 143 THR H . 17942 1 1189 . 2 2 3 3 THR HA H 1 4.209 0.01 . 1 . . . . 143 THR HA . 17942 1 1190 . 2 2 3 3 THR HB H 1 4.08 0.01 . 1 . . . . 143 THR HB . 17942 1 1191 . 2 2 3 3 THR HG21 H 1 1.086 0.01 . 1 . . . . 143 THR QG2 . 17942 1 1192 . 2 2 3 3 THR HG22 H 1 1.086 0.01 . 1 . . . . 143 THR QG2 . 17942 1 1193 . 2 2 3 3 THR HG23 H 1 1.086 0.01 . 1 . . . . 143 THR QG2 . 17942 1 1194 . 2 2 3 3 THR C C 13 174.326 0.2 . 1 . . . . 143 THR C . 17942 1 1195 . 2 2 3 3 THR CA C 13 61.631 0.2 . 1 . . . . 143 THR CA . 17942 1 1196 . 2 2 3 3 THR CB C 13 69.826 0.2 . 1 . . . . 143 THR CB . 17942 1 1197 . 2 2 3 3 THR CG2 C 13 21.551 0.2 . 1 . . . . 143 THR CG2 . 17942 1 1198 . 2 2 3 3 THR N N 15 115.459 0.1 . 1 . . . . 143 THR N . 17942 1 1199 . 2 2 4 4 ARG H H 1 8.306 0.01 . 1 . . . . 144 ARG H . 17942 1 1200 . 2 2 4 4 ARG HA H 1 4.219 0.01 . 1 . . . . 144 ARG HA . 17942 1 1201 . 2 2 4 4 ARG HB2 H 1 1.734 0.01 . 2 . . . . 144 ARG HB2 . 17942 1 1202 . 2 2 4 4 ARG HB3 H 1 1.644 0.01 . 2 . . . . 144 ARG HB3 . 17942 1 1203 . 2 2 4 4 ARG HG2 H 1 1.505 0.01 . 1 . . . . 144 ARG HG2 . 17942 1 1204 . 2 2 4 4 ARG HG3 H 1 1.505 0.01 . 1 . . . . 144 ARG HG3 . 17942 1 1205 . 2 2 4 4 ARG HD2 H 1 3.085 0.01 . 1 . . . . 144 ARG HD2 . 17942 1 1206 . 2 2 4 4 ARG HD3 H 1 3.085 0.01 . 1 . . . . 144 ARG HD3 . 17942 1 1207 . 2 2 4 4 ARG C C 13 175.965 0.2 . 1 . . . . 144 ARG C . 17942 1 1208 . 2 2 4 4 ARG CA C 13 55.942 0.2 . 1 . . . . 144 ARG CA . 17942 1 1209 . 2 2 4 4 ARG CB C 13 30.738 0.2 . 1 . . . . 144 ARG CB . 17942 1 1210 . 2 2 4 4 ARG CG C 13 26.978 0.2 . 1 . . . . 144 ARG CG . 17942 1 1211 . 2 2 4 4 ARG CD C 13 43.222 0.2 . 1 . . . . 144 ARG CD . 17942 1 1212 . 2 2 4 4 ARG N N 15 123.473 0.1 . 1 . . . . 144 ARG N . 17942 1 1213 . 2 2 5 5 GLN H H 1 8.375 0.01 . 1 . . . . 145 GLN H . 17942 1 1214 . 2 2 5 5 GLN HA H 1 4.183 0.01 . 1 . . . . 145 GLN HA . 17942 1 1215 . 2 2 5 5 GLN HB2 H 1 1.957 0.01 . 2 . . . . 145 GLN HB2 . 17942 1 1216 . 2 2 5 5 GLN HB3 H 1 1.867 0.01 . 2 . . . . 145 GLN HB3 . 17942 1 1217 . 2 2 5 5 GLN HG2 H 1 2.238 0.01 . 1 . . . . 145 GLN HG2 . 17942 1 1218 . 2 2 5 5 GLN HG3 H 1 2.238 0.01 . 1 . . . . 145 GLN HG3 . 17942 1 1219 . 2 2 5 5 GLN HE21 H 1 7.447 0.01 . 2 . . . . 145 GLN HE21 . 17942 1 1220 . 2 2 5 5 GLN HE22 H 1 6.77 0.01 . 2 . . . . 145 GLN HE22 . 17942 1 1221 . 2 2 5 5 GLN C C 13 175.682 0.2 . 1 . . . . 145 GLN C . 17942 1 1222 . 2 2 5 5 GLN CA C 13 55.808 0.2 . 1 . . . . 145 GLN CA . 17942 1 1223 . 2 2 5 5 GLN CB C 13 29.425 0.2 . 1 . . . . 145 GLN CB . 17942 1 1224 . 2 2 5 5 GLN CG C 13 33.681 0.2 . 1 . . . . 145 GLN CG . 17942 1 1225 . 2 2 5 5 GLN CD C 13 180.462 0.2 . 1 . . . . 145 GLN CD . 17942 1 1226 . 2 2 5 5 GLN N N 15 122.452 0.1 . 1 . . . . 145 GLN N . 17942 1 1227 . 2 2 5 5 GLN NE2 N 15 112.62 0.1 . 1 . . . . 145 GLN NE2 . 17942 1 1228 . 2 2 6 6 ARG H H 1 8.319 0.01 . 1 . . . . 146 ARG H . 17942 1 1229 . 2 2 6 6 ARG HA H 1 4.257 0.01 . 1 . . . . 146 ARG HA . 17942 1 1230 . 2 2 6 6 ARG HB2 H 1 1.724 0.01 . 2 . . . . 146 ARG HB2 . 17942 1 1231 . 2 2 6 6 ARG HB3 H 1 1.59 0.01 . 2 . . . . 146 ARG HB3 . 17942 1 1232 . 2 2 6 6 ARG HG2 H 1 1.508 0.01 . 2 . . . . 146 ARG HG2 . 17942 1 1233 . 2 2 6 6 ARG HG3 H 1 1.451 0.01 . 2 . . . . 146 ARG HG3 . 17942 1 1234 . 2 2 6 6 ARG HD2 H 1 3.126 0.01 . 2 . . . . 146 ARG HD2 . 17942 1 1235 . 2 2 6 6 ARG HD3 H 1 2.977 0.01 . 2 . . . . 146 ARG HD3 . 17942 1 1236 . 2 2 6 6 ARG HE H 1 7.167 0.01 . 1 . . . . 146 ARG HE . 17942 1 1237 . 2 2 6 6 ARG C C 13 175.682 0.2 . 1 . . . . 146 ARG C . 17942 1 1238 . 2 2 6 6 ARG CA C 13 55.21 0.2 . 1 . . . . 146 ARG CA . 17942 1 1239 . 2 2 6 6 ARG CB C 13 31.169 0.2 . 1 . . . . 146 ARG CB . 17942 1 1240 . 2 2 6 6 ARG CG C 13 26.978 0.2 . 1 . . . . 146 ARG CG . 17942 1 1241 . 2 2 6 6 ARG CD C 13 43.118 0.2 . 1 . . . . 146 ARG CD . 17942 1 1242 . 2 2 6 6 ARG CZ C 13 159.566 0.2 . 1 . . . . 146 ARG CZ . 17942 1 1243 . 2 2 6 6 ARG N N 15 122.773 0.1 . 1 . . . . 146 ARG N . 17942 1 1244 . 2 2 6 6 ARG NE N 15 84.558 0.1 . 1 . . . . 146 ARG NE . 17942 1 1245 . 2 2 7 7 ASN H H 1 8.791 0.01 . 1 . . . . 147 ASN H . 17942 1 1246 . 2 2 7 7 ASN HA H 1 4.551 0.01 . 1 . . . . 147 ASN HA . 17942 1 1247 . 2 2 7 7 ASN HB2 H 1 2.258 0.01 . 2 . . . . 147 ASN HB2 . 17942 1 1248 . 2 2 7 7 ASN HB3 H 1 2.083 0.01 . 2 . . . . 147 ASN HB3 . 17942 1 1249 . 2 2 7 7 ASN HD21 H 1 7.13 0.01 . 2 . . . . 147 ASN HD21 . 17942 1 1250 . 2 2 7 7 ASN HD22 H 1 6.65 0.01 . 2 . . . . 147 ASN HD22 . 17942 1 1251 . 2 2 7 7 ASN C C 13 173.808 0.2 . 1 . . . . 147 ASN C . 17942 1 1252 . 2 2 7 7 ASN CA C 13 53.528 0.2 . 1 . . . . 147 ASN CA . 17942 1 1253 . 2 2 7 7 ASN CB C 13 39.536 0.2 . 1 . . . . 147 ASN CB . 17942 1 1254 . 2 2 7 7 ASN CG C 13 176.517 0.2 . 1 . . . . 147 ASN CG . 17942 1 1255 . 2 2 7 7 ASN N N 15 121.12 0.1 . 1 . . . . 147 ASN N . 17942 1 1256 . 2 2 7 7 ASN ND2 N 15 112.22 0.1 . 1 . . . . 147 ASN ND2 . 17942 1 1257 . 2 2 8 8 GLU H H 1 7.825 0.01 . 1 . . . . 148 GLU H . 17942 1 1258 . 2 2 8 8 GLU HA H 1 5.17 0.01 . 1 . . . . 148 GLU HA . 17942 1 1259 . 2 2 8 8 GLU HB2 H 1 1.784 0.01 . 2 . . . . 148 GLU HB2 . 17942 1 1260 . 2 2 8 8 GLU HB3 H 1 1.712 0.01 . 2 . . . . 148 GLU HB3 . 17942 1 1261 . 2 2 8 8 GLU HG2 H 1 1.937 0.01 . 1 . . . . 148 GLU HG2 . 17942 1 1262 . 2 2 8 8 GLU HG3 H 1 1.937 0.01 . 1 . . . . 148 GLU HG3 . 17942 1 1263 . 2 2 8 8 GLU C C 13 175.881 0.2 . 1 . . . . 148 GLU C . 17942 1 1264 . 2 2 8 8 GLU CA C 13 54.958 0.2 . 1 . . . . 148 GLU CA . 17942 1 1265 . 2 2 8 8 GLU CB C 13 32.946 0.2 . 1 . . . . 148 GLU CB . 17942 1 1266 . 2 2 8 8 GLU CG C 13 36.392 0.2 . 1 . . . . 148 GLU CG . 17942 1 1267 . 2 2 8 8 GLU N N 15 121.441 0.1 . 1 . . . . 148 GLU N . 17942 1 1268 . 2 2 9 9 THR H H 1 8.817 0.01 . 1 . . . . 149 THR H . 17942 1 1269 . 2 2 9 9 THR HA H 1 4.49 0.01 . 1 . . . . 149 THR HA . 17942 1 1270 . 2 2 9 9 THR HB H 1 3.485 0.01 . 1 . . . . 149 THR HB . 17942 1 1271 . 2 2 9 9 THR HG21 H 1 1.123 0.01 . 1 . . . . 149 THR QG2 . 17942 1 1272 . 2 2 9 9 THR HG22 H 1 1.123 0.01 . 1 . . . . 149 THR QG2 . 17942 1 1273 . 2 2 9 9 THR HG23 H 1 1.123 0.01 . 1 . . . . 149 THR QG2 . 17942 1 1274 . 2 2 9 9 THR C C 13 172.841 0.2 . 1 . . . . 149 THR C . 17942 1 1275 . 2 2 9 9 THR CA C 13 62.492 0.2 . 1 . . . . 149 THR CA . 17942 1 1276 . 2 2 9 9 THR CB C 13 70.324 0.2 . 1 . . . . 149 THR CB . 17942 1 1277 . 2 2 9 9 THR CG2 C 13 22.249 0.2 . 1 . . . . 149 THR CG2 . 17942 1 1278 . 2 2 9 9 THR N N 15 120.691 0.1 . 1 . . . . 149 THR N . 17942 1 1279 . 2 2 10 10 GLN H H 1 8.621 0.01 . 1 . . . . 150 GLN H . 17942 1 1280 . 2 2 10 10 GLN HA H 1 4.54 0.01 . 1 . . . . 150 GLN HA . 17942 1 1281 . 2 2 10 10 GLN HB2 H 1 1.81 0.01 . 2 . . . . 150 GLN HB2 . 17942 1 1282 . 2 2 10 10 GLN HB3 H 1 1.766 0.01 . 2 . . . . 150 GLN HB3 . 17942 1 1283 . 2 2 10 10 GLN HG2 H 1 2.138 0.01 . 2 . . . . 150 GLN HG2 . 17942 1 1284 . 2 2 10 10 GLN HG3 H 1 2.024 0.01 . 2 . . . . 150 GLN HG3 . 17942 1 1285 . 2 2 10 10 GLN HE21 H 1 7.762 0.01 . 2 . . . . 150 GLN HE21 . 17942 1 1286 . 2 2 10 10 GLN HE22 H 1 6.668 0.01 . 2 . . . . 150 GLN HE22 . 17942 1 1287 . 2 2 10 10 GLN C C 13 174.494 0.2 . 1 . . . . 150 GLN C . 17942 1 1288 . 2 2 10 10 GLN CA C 13 56.397 0.2 . 1 . . . . 150 GLN CA . 17942 1 1289 . 2 2 10 10 GLN CB C 13 29.409 0.2 . 1 . . . . 150 GLN CB . 17942 1 1290 . 2 2 10 10 GLN CG C 13 33.693 0.2 . 1 . . . . 150 GLN CG . 17942 1 1291 . 2 2 10 10 GLN CD C 13 180.162 0.2 . 1 . . . . 150 GLN CD . 17942 1 1292 . 2 2 10 10 GLN N N 15 128.48 0.1 . 1 . . . . 150 GLN N . 17942 1 1293 . 2 2 10 10 GLN NE2 N 15 112.466 0.1 . 1 . . . . 150 GLN NE2 . 17942 1 1294 . 2 2 11 11 VAL H H 1 8.865 0.01 . 1 . . . . 151 VAL H . 17942 1 1295 . 2 2 11 11 VAL HA H 1 4.179 0.01 . 1 . . . . 151 VAL HA . 17942 1 1296 . 2 2 11 11 VAL HB H 1 1.867 0.01 . 1 . . . . 151 VAL HB . 17942 1 1297 . 2 2 11 11 VAL HG11 H 1 0.52 0.01 . 2 . . . . 151 VAL QG1 . 17942 1 1298 . 2 2 11 11 VAL HG12 H 1 0.52 0.01 . 2 . . . . 151 VAL QG1 . 17942 1 1299 . 2 2 11 11 VAL HG13 H 1 0.52 0.01 . 2 . . . . 151 VAL QG1 . 17942 1 1300 . 2 2 11 11 VAL HG21 H 1 -0.156 0.01 . 2 . . . . 151 VAL QG2 . 17942 1 1301 . 2 2 11 11 VAL HG22 H 1 -0.156 0.01 . 2 . . . . 151 VAL QG2 . 17942 1 1302 . 2 2 11 11 VAL HG23 H 1 -0.156 0.01 . 2 . . . . 151 VAL QG2 . 17942 1 1303 . 2 2 11 11 VAL C C 13 180.853 0.2 . 1 . . . . 151 VAL C . 17942 1 1304 . 2 2 11 11 VAL CA C 13 61.31 0.2 . 1 . . . . 151 VAL CA . 17942 1 1305 . 2 2 11 11 VAL CB C 13 33.968 0.2 . 1 . . . . 151 VAL CB . 17942 1 1306 . 2 2 11 11 VAL CG1 C 13 21.576 0.2 . 2 . . . . 151 VAL CG1 . 17942 1 1307 . 2 2 11 11 VAL CG2 C 13 18.837 0.2 . 2 . . . . 151 VAL CG2 . 17942 1 1308 . 2 2 11 11 VAL N N 15 125.66 0.1 . 1 . . . . 151 VAL N . 17942 1 stop_ save_