data_5018 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5018 _Entry.Title ; Solution Structure of the Tumor Necrosis Factor Receptor-1 Death Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-21 _Entry.Accession_date 2001-05-21 _Entry.Last_release_date 2002-05-09 _Entry.Original_release_date 2002-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Sukits . F. . 5018 2 L.-L. Lin . . . 5018 3 S. Hsu . . . 5018 4 K. Malakian . . . 5018 5 R. Powers . . . 5018 6 G.-Y. Xu . . . 5018 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5018 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 573 5018 '13C chemical shifts' 431 5018 '15N chemical shifts' 98 5018 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-05-09 2001-05-21 original author . 5018 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5018 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21348196 _Citation.DOI . _Citation.PubMed_ID 11453696 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Tumor Necrosis Factor Receptor-1 Death Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 310 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 895 _Citation.Page_last 906 _Citation.Year 2001 _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 S. Sukits . F. . 5018 1 2 L.-L. Lin . . . 5018 1 3 S. Hsu . . . 5018 1 4 K. Malakian . . . 5018 1 5 R. Powers . . . 5018 1 6 G.-Y. Xu . . . 5018 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'death domain' 5018 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TNFR-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TNFR-1 _Assembly.Entry_ID 5018 _Assembly.ID 1 _Assembly.Name 'TUMOR NECROSIS FACTOR RECEPTOR-1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5018 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TUMOR NECROSIS FACTOR RECEPTOR-1' 1 $TNFR-1 . . . native . . . . . 5018 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ICH . . . . . . 5018 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TUMOR NECROSIS FACTOR RECEPTOR-1' system 5018 1 TNFR-1 abbreviation 5018 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TNFR-1 _Entity.Sf_category entity _Entity.Sf_framecode TNFR-1 _Entity.Entry_ID 5018 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tumor Necrosis Factor Receptor-1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHKPQSLDTDDPATLYAVV ENVPPLRWKEFVKRLGLSDH EIDRLELQNGRCLREAQYSM LATWRRRTPRREATLELLGR VLRDMDLLGCLEDIEEALCG PAALPPAPSLLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ICH . "Solution Structure Of The Tumor Necrosis Factor Receptor-1 Death Domain" . . . . . 100.00 112 100.00 100.00 3.84e-73 . . . . 5018 1 2 no DBJ BAF83777 . "unnamed protein product [Homo sapiens]" . . . . . 99.11 455 98.20 99.10 1.37e-67 . . . . 5018 1 3 no DBJ BAG37891 . "unnamed protein product [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.68e-69 . . . . 5018 1 4 no DBJ BAG51763 . "unnamed protein product [Homo sapiens]" . . . . . 99.11 459 99.10 100.00 1.21e-68 . . . . 5018 1 5 no DBJ BAG60879 . "unnamed protein product [Homo sapiens]" . . . . . 99.11 347 99.10 100.00 5.70e-70 . . . . 5018 1 6 no DBJ BAG65321 . "unnamed protein product [Homo sapiens]" . . . . . 99.11 223 99.10 100.00 2.98e-71 . . . . 5018 1 7 no EMBL CAA39021 . "tumor necrosis factor receptor type 1 [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 8 no GB AAA03210 . "tumor necrosis factor receptor [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 9 no GB AAA36753 . "tumor necrosis factor receptor [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 10 no GB AAA36754 . "tumor necrosis factor receptor [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 11 no GB AAA36756 . "TNF receptor [Homo sapiens]" . . . . . 84.82 453 97.89 98.95 4.92e-54 . . . . 5018 1 12 no GB AAA61201 . "tumor necrosis factor receptor 1 [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 13 no REF NP_001056 . "tumor necrosis factor receptor superfamily member 1A precursor [Homo sapiens]" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 14 no REF XP_002822854 . "PREDICTED: LOW QUALITY PROTEIN: tumor necrosis factor receptor superfamily member 1A [Pongo abelii]" . . . . . 98.21 455 97.27 98.18 1.33e-66 . . . . 5018 1 15 no REF XP_004052596 . "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Gorilla gorilla gorilla]" . . . . . 99.11 455 98.20 99.10 6.09e-68 . . . . 5018 1 16 no REF XP_007965520 . "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Chlorocebus sabaeus]" . . . . . 99.11 455 97.30 98.20 1.16e-67 . . . . 5018 1 17 no REF XP_008971992 . "PREDICTED: tumor necrosis factor receptor superfamily member 1A [Pan paniscus]" . . . . . 99.11 455 99.10 100.00 1.05e-68 . . . . 5018 1 18 no SP P19438 . "RecName: Full=Tumor necrosis factor receptor superfamily member 1A; AltName: Full=Tumor necrosis factor receptor 1; Short=TNF-R" . . . . . 99.11 455 99.10 100.00 9.89e-69 . . . . 5018 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tumor Necrosis Factor Receptor-1' common 5018 1 TNFR-1 abbreviation 5018 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 1 315 MET . 5018 1 2 316 ALA . 5018 1 3 317 HIS . 5018 1 4 318 LYS . 5018 1 5 319 PRO . 5018 1 6 320 GLN . 5018 1 7 321 SER . 5018 1 8 322 LEU . 5018 1 9 323 ASP . 5018 1 10 324 THR . 5018 1 11 325 ASP . 5018 1 12 326 ASP . 5018 1 13 327 PRO . 5018 1 14 328 ALA . 5018 1 15 329 THR . 5018 1 16 330 LEU . 5018 1 17 331 TYR . 5018 1 18 332 ALA . 5018 1 19 333 VAL . 5018 1 20 334 VAL . 5018 1 21 335 GLU . 5018 1 22 336 ASN . 5018 1 23 337 VAL . 5018 1 24 338 PRO . 5018 1 25 339 PRO . 5018 1 26 340 LEU . 5018 1 27 341 ARG . 5018 1 28 342 TRP . 5018 1 29 343 LYS . 5018 1 30 344 GLU . 5018 1 31 345 PHE . 5018 1 32 346 VAL . 5018 1 33 347 LYS . 5018 1 34 348 ARG . 5018 1 35 349 LEU . 5018 1 36 350 GLY . 5018 1 37 351 LEU . 5018 1 38 352 SER . 5018 1 39 353 ASP . 5018 1 40 354 HIS . 5018 1 41 355 GLU . 5018 1 42 356 ILE . 5018 1 43 357 ASP . 5018 1 44 358 ARG . 5018 1 45 359 LEU . 5018 1 46 360 GLU . 5018 1 47 361 LEU . 5018 1 48 362 GLN . 5018 1 49 363 ASN . 5018 1 50 364 GLY . 5018 1 51 365 ARG . 5018 1 52 366 CYS . 5018 1 53 367 LEU . 5018 1 54 368 ARG . 5018 1 55 369 GLU . 5018 1 56 370 ALA . 5018 1 57 371 GLN . 5018 1 58 372 TYR . 5018 1 59 373 SER . 5018 1 60 374 MET . 5018 1 61 375 LEU . 5018 1 62 376 ALA . 5018 1 63 377 THR . 5018 1 64 378 TRP . 5018 1 65 379 ARG . 5018 1 66 380 ARG . 5018 1 67 381 ARG . 5018 1 68 382 THR . 5018 1 69 383 PRO . 5018 1 70 384 ARG . 5018 1 71 385 ARG . 5018 1 72 386 GLU . 5018 1 73 387 ALA . 5018 1 74 388 THR . 5018 1 75 389 LEU . 5018 1 76 390 GLU . 5018 1 77 391 LEU . 5018 1 78 392 LEU . 5018 1 79 393 GLY . 5018 1 80 394 ARG . 5018 1 81 395 VAL . 5018 1 82 396 LEU . 5018 1 83 397 ARG . 5018 1 84 398 ASP . 5018 1 85 399 MET . 5018 1 86 400 ASP . 5018 1 87 401 LEU . 5018 1 88 402 LEU . 5018 1 89 403 GLY . 5018 1 90 404 CYS . 5018 1 91 405 LEU . 5018 1 92 406 GLU . 5018 1 93 407 ASP . 5018 1 94 408 ILE . 5018 1 95 409 GLU . 5018 1 96 410 GLU . 5018 1 97 411 ALA . 5018 1 98 412 LEU . 5018 1 99 413 CYS . 5018 1 100 414 GLY . 5018 1 101 415 PRO . 5018 1 102 416 ALA . 5018 1 103 417 ALA . 5018 1 104 418 LEU . 5018 1 105 419 PRO . 5018 1 106 420 PRO . 5018 1 107 421 ALA . 5018 1 108 422 PRO . 5018 1 109 423 SER . 5018 1 110 424 LEU . 5018 1 111 425 LEU . 5018 1 112 426 ARG . 5018 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 5018 1 . ALA 2 2 5018 1 . HIS 3 3 5018 1 . LYS 4 4 5018 1 . PRO 5 5 5018 1 . GLN 6 6 5018 1 . SER 7 7 5018 1 . LEU 8 8 5018 1 . ASP 9 9 5018 1 . THR 10 10 5018 1 . ASP 11 11 5018 1 . ASP 12 12 5018 1 . PRO 13 13 5018 1 . ALA 14 14 5018 1 . THR 15 15 5018 1 . LEU 16 16 5018 1 . TYR 17 17 5018 1 . ALA 18 18 5018 1 . VAL 19 19 5018 1 . VAL 20 20 5018 1 . GLU 21 21 5018 1 . ASN 22 22 5018 1 . VAL 23 23 5018 1 . PRO 24 24 5018 1 . PRO 25 25 5018 1 . LEU 26 26 5018 1 . ARG 27 27 5018 1 . TRP 28 28 5018 1 . LYS 29 29 5018 1 . GLU 30 30 5018 1 . PHE 31 31 5018 1 . VAL 32 32 5018 1 . LYS 33 33 5018 1 . ARG 34 34 5018 1 . LEU 35 35 5018 1 . GLY 36 36 5018 1 . LEU 37 37 5018 1 . SER 38 38 5018 1 . ASP 39 39 5018 1 . HIS 40 40 5018 1 . GLU 41 41 5018 1 . ILE 42 42 5018 1 . ASP 43 43 5018 1 . ARG 44 44 5018 1 . LEU 45 45 5018 1 . GLU 46 46 5018 1 . LEU 47 47 5018 1 . GLN 48 48 5018 1 . ASN 49 49 5018 1 . GLY 50 50 5018 1 . ARG 51 51 5018 1 . CYS 52 52 5018 1 . LEU 53 53 5018 1 . ARG 54 54 5018 1 . GLU 55 55 5018 1 . ALA 56 56 5018 1 . GLN 57 57 5018 1 . TYR 58 58 5018 1 . SER 59 59 5018 1 . MET 60 60 5018 1 . LEU 61 61 5018 1 . ALA 62 62 5018 1 . THR 63 63 5018 1 . TRP 64 64 5018 1 . ARG 65 65 5018 1 . ARG 66 66 5018 1 . ARG 67 67 5018 1 . THR 68 68 5018 1 . PRO 69 69 5018 1 . ARG 70 70 5018 1 . ARG 71 71 5018 1 . GLU 72 72 5018 1 . ALA 73 73 5018 1 . THR 74 74 5018 1 . LEU 75 75 5018 1 . GLU 76 76 5018 1 . LEU 77 77 5018 1 . LEU 78 78 5018 1 . GLY 79 79 5018 1 . ARG 80 80 5018 1 . VAL 81 81 5018 1 . LEU 82 82 5018 1 . ARG 83 83 5018 1 . ASP 84 84 5018 1 . MET 85 85 5018 1 . ASP 86 86 5018 1 . LEU 87 87 5018 1 . LEU 88 88 5018 1 . GLY 89 89 5018 1 . CYS 90 90 5018 1 . LEU 91 91 5018 1 . GLU 92 92 5018 1 . ASP 93 93 5018 1 . ILE 94 94 5018 1 . GLU 95 95 5018 1 . GLU 96 96 5018 1 . ALA 97 97 5018 1 . LEU 98 98 5018 1 . CYS 99 99 5018 1 . GLY 100 100 5018 1 . PRO 101 101 5018 1 . ALA 102 102 5018 1 . ALA 103 103 5018 1 . LEU 104 104 5018 1 . PRO 105 105 5018 1 . PRO 106 106 5018 1 . ALA 107 107 5018 1 . PRO 108 108 5018 1 . SER 109 109 5018 1 . LEU 110 110 5018 1 . LEU 111 111 5018 1 . ARG 112 112 5018 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5018 _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 $TNFR-1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5018 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 5018 _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 $TNFR-1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5018 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5018 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Tumor Necrosis Factor Receptor-1' . . . 1 $TNFR-1 . . 1 . . mM . . . . 5018 1 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 5018 1 3 DTT . . . . . . . 10 . . mM . . . . 5018 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5018 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.0 . n/a 5018 1 temperature 308 . K 5018 1 'ionic strength' 10 . mM 5018 1 pressure 1 . atm 5018 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5018 _Software.ID 1 _Software.Name X-PLOR _Software.Version 9.8 _Software.Details 'Badger, J., Kumar, R.A., Yip, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5018 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5018 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details 'Delaglio, F., 2000' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5018 2 stop_ save_ save_pipp _Software.Sf_category software _Software.Sf_framecode pipp _Software.Entry_ID 5018 _Software.ID 3 _Software.Name pipp _Software.Version 4.2.2 _Software.Details 'Garrett, D., 1998' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5018 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5018 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5018 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian UNITYplus . 600 . . . 5018 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 5018 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5018 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5018 1 3 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5018 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5018 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5018 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5018 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5018 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . . . . . 5018 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5018 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5018 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5018 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5018 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 CE C 13 24.1900 . . . . . . . . . . . 5018 1 2 . 1 1 1 1 MET HE1 H 1 2.1500 . . . . . . . . . . . 5018 1 3 . 1 1 1 1 MET HE2 H 1 2.1500 . . . . . . . . . . . 5018 1 4 . 1 1 1 1 MET HE3 H 1 2.1500 . . . . . . . . . . . 5018 1 5 . 1 1 5 5 PRO C C 13 173.9900 . . . . . . . . . . . 5018 1 6 . 1 1 5 5 PRO CA C 13 63.3000 . . . . . . . . . . . 5018 1 7 . 1 1 5 5 PRO CB C 13 32.1500 . . . . . . . . . . . 5018 1 8 . 1 1 5 5 PRO CG C 13 27.4900 . . . . . . . . . . . 5018 1 9 . 1 1 5 5 PRO CD C 13 50.7100 . . . . . . . . . . . 5018 1 10 . 1 1 5 5 PRO HA H 1 4.5500 . . . . . . . . . . . 5018 1 11 . 1 1 5 5 PRO HB2 H 1 2.4100 . . . . . . . . . . . 5018 1 12 . 1 1 5 5 PRO HB3 H 1 2.0500 . . . . . . . . . . . 5018 1 13 . 1 1 5 5 PRO HG2 H 1 2.1600 . . . . . . . . . . . 5018 1 14 . 1 1 5 5 PRO HD2 H 1 3.9400 . . . . . . . . . . . 5018 1 15 . 1 1 5 5 PRO HD3 H 1 3.7600 . . . . . . . . . . . 5018 1 16 . 1 1 6 6 GLN H H 1 8.6144 . . . . . . . . . . . 5018 1 17 . 1 1 6 6 GLN N N 15 120.9462 . . . . . . . . . . . 5018 1 18 . 1 1 6 6 GLN C C 13 175.9000 . . . . . . . . . . . 5018 1 19 . 1 1 6 6 GLN CA C 13 56.0600 . . . . . . . . . . . 5018 1 20 . 1 1 6 6 GLN CB C 13 29.7800 . . . . . . . . . . . 5018 1 21 . 1 1 6 6 GLN CG C 13 34.0273 . . . . . . . . . . . 5018 1 22 . 1 1 6 6 GLN HA H 1 4.4600 . . . . . . . . . . . 5018 1 23 . 1 1 6 6 GLN HB2 H 1 2.2300 . . . . . . . . . . . 5018 1 24 . 1 1 6 6 GLN HB3 H 1 2.1300 . . . . . . . . . . . 5018 1 25 . 1 1 6 6 GLN HG2 H 1 2.4400 . . . . . . . . . . . 5018 1 26 . 1 1 7 7 SER H H 1 8.3864 . . . . . . . . . . . 5018 1 27 . 1 1 7 7 SER N N 15 116.9919 . . . . . . . . . . . 5018 1 28 . 1 1 7 7 SER C C 13 174.3500 . . . . . . . . . . . 5018 1 29 . 1 1 7 7 SER CA C 13 58.1900 . . . . . . . . . . . 5018 1 30 . 1 1 7 7 SER CB C 13 63.9900 . . . . . . . . . . . 5018 1 31 . 1 1 7 7 SER HA H 1 4.5900 . . . . . . . . . . . 5018 1 32 . 1 1 7 7 SER HB2 H 1 3.9900 . . . . . . . . . . . 5018 1 33 . 1 1 8 8 LEU H H 1 8.4204 . . . . . . . . . . . 5018 1 34 . 1 1 8 8 LEU N N 15 123.7619 . . . . . . . . . . . 5018 1 35 . 1 1 8 8 LEU C C 13 176.7400 . . . . . . . . . . . 5018 1 36 . 1 1 8 8 LEU CA C 13 55.2400 . . . . . . . . . . . 5018 1 37 . 1 1 8 8 LEU CB C 13 42.6400 . . . . . . . . . . . 5018 1 38 . 1 1 8 8 LEU CG C 13 27.2400 . . . . . . . . . . . 5018 1 39 . 1 1 8 8 LEU CD1 C 13 25.3600 . . . . . . . . . . . 5018 1 40 . 1 1 8 8 LEU CD2 C 13 23.7100 . . . . . . . . . . . 5018 1 41 . 1 1 8 8 LEU HA H 1 4.5300 . . . . . . . . . . . 5018 1 42 . 1 1 8 8 LEU HB2 H 1 1.7400 . . . . . . . . . . . 5018 1 43 . 1 1 8 8 LEU HD11 H 1 1.0000 . . . . . . . . . . . 5018 1 44 . 1 1 8 8 LEU HD12 H 1 1.0000 . . . . . . . . . . . 5018 1 45 . 1 1 8 8 LEU HD13 H 1 1.0000 . . . . . . . . . . . 5018 1 46 . 1 1 9 9 ASP H H 1 8.5611 . . . . . . . . . . . 5018 1 47 . 1 1 9 9 ASP N N 15 121.1813 . . . . . . . . . . . 5018 1 48 . 1 1 9 9 ASP C C 13 176.5100 . . . . . . . . . . . 5018 1 49 . 1 1 9 9 ASP CA C 13 54.3200 . . . . . . . . . . . 5018 1 50 . 1 1 9 9 ASP CB C 13 40.9500 . . . . . . . . . . . 5018 1 51 . 1 1 9 9 ASP HA H 1 4.8200 . . . . . . . . . . . 5018 1 52 . 1 1 9 9 ASP HB2 H 1 2.9100 . . . . . . . . . . . 5018 1 53 . 1 1 9 9 ASP HB3 H 1 2.8300 . . . . . . . . . . . 5018 1 54 . 1 1 10 10 THR H H 1 8.1469 . . . . . . . . . . . 5018 1 55 . 1 1 10 10 THR N N 15 113.6735 . . . . . . . . . . . 5018 1 56 . 1 1 10 10 THR C C 13 174.3500 . . . . . . . . . . . 5018 1 57 . 1 1 10 10 THR CA C 13 62.3800 . . . . . . . . . . . 5018 1 58 . 1 1 10 10 THR CB C 13 69.5400 . . . . . . . . . . . 5018 1 59 . 1 1 10 10 THR CG2 C 13 21.8169 . . . . . . . . . . . 5018 1 60 . 1 1 10 10 THR HA H 1 4.4100 . . . . . . . . . . . 5018 1 61 . 1 1 10 10 THR HB H 1 4.4000 . . . . . . . . . . . 5018 1 62 . 1 1 10 10 THR HG21 H 1 1.3400 . . . . . . . . . . . 5018 1 63 . 1 1 10 10 THR HG22 H 1 1.3400 . . . . . . . . . . . 5018 1 64 . 1 1 10 10 THR HG23 H 1 1.3400 . . . . . . . . . . . 5018 1 65 . 1 1 11 11 ASP H H 1 8.4696 . . . . . . . . . . . 5018 1 66 . 1 1 11 11 ASP N N 15 121.6668 . . . . . . . . . . . 5018 1 67 . 1 1 11 11 ASP C C 13 175.5500 . . . . . . . . . . . 5018 1 68 . 1 1 11 11 ASP CA C 13 54.2100 . . . . . . . . . . . 5018 1 69 . 1 1 11 11 ASP CB C 13 41.0200 . . . . . . . . . . . 5018 1 70 . 1 1 11 11 ASP HA H 1 4.8400 . . . . . . . . . . . 5018 1 71 . 1 1 11 11 ASP HB2 H 1 2.9100 . . . . . . . . . . . 5018 1 72 . 1 1 11 11 ASP HB3 H 1 2.8300 . . . . . . . . . . . 5018 1 73 . 1 1 12 12 ASP H H 1 8.4174 . . . . . . . . . . . 5018 1 74 . 1 1 12 12 ASP N N 15 121.1375 . . . . . . . . . . . 5018 1 75 . 1 1 12 12 ASP CA C 13 54.4600 . . . . . . . . . . . 5018 1 76 . 1 1 12 12 ASP CB C 13 40.8600 . . . . . . . . . . . 5018 1 77 . 1 1 13 13 PRO CA C 13 66.3100 . . . . . . . . . . . 5018 1 78 . 1 1 13 13 PRO CB C 13 31.8200 . . . . . . . . . . . 5018 1 79 . 1 1 13 13 PRO CG C 13 28.0100 . . . . . . . . . . . 5018 1 80 . 1 1 13 13 PRO HA H 1 4.6000 . . . . . . . . . . . 5018 1 81 . 1 1 13 13 PRO HB2 H 1 2.3400 . . . . . . . . . . . 5018 1 82 . 1 1 13 13 PRO HB3 H 1 2.1800 . . . . . . . . . . . 5018 1 83 . 1 1 13 13 PRO HG2 H 1 2.6300 . . . . . . . . . . . 5018 1 84 . 1 1 14 14 ALA H H 1 8.3459 . . . . . . . . . . . 5018 1 85 . 1 1 14 14 ALA N N 15 118.6001 . . . . . . . . . . . 5018 1 86 . 1 1 14 14 ALA C C 13 181.0100 . . . . . . . . . . . 5018 1 87 . 1 1 14 14 ALA CA C 13 55.3921 . . . . . . . . . . . 5018 1 88 . 1 1 14 14 ALA CB C 13 18.5744 . . . . . . . . . . . 5018 1 89 . 1 1 14 14 ALA HA H 1 4.3800 . . . . . . . . . . . 5018 1 90 . 1 1 14 14 ALA HB1 H 1 1.6300 . . . . . . . . . . . 5018 1 91 . 1 1 14 14 ALA HB2 H 1 1.6300 . . . . . . . . . . . 5018 1 92 . 1 1 14 14 ALA HB3 H 1 1.6300 . . . . . . . . . . . 5018 1 93 . 1 1 15 15 THR H H 1 8.0048 . . . . . . . . . . . 5018 1 94 . 1 1 15 15 THR N N 15 115.3548 . . . . . . . . . . . 5018 1 95 . 1 1 15 15 THR C C 13 175.5300 . . . . . . . . . . . 5018 1 96 . 1 1 15 15 THR CA C 13 66.4800 . . . . . . . . . . . 5018 1 97 . 1 1 15 15 THR CB C 13 68.4700 . . . . . . . . . . . 5018 1 98 . 1 1 15 15 THR CG2 C 13 21.8700 . . . . . . . . . . . 5018 1 99 . 1 1 15 15 THR HA H 1 4.1300 . . . . . . . . . . . 5018 1 100 . 1 1 15 15 THR HB H 1 4.4800 . . . . . . . . . . . 5018 1 101 . 1 1 15 15 THR HG21 H 1 1.2900 . . . . . . . . . . . 5018 1 102 . 1 1 15 15 THR HG22 H 1 1.2900 . . . . . . . . . . . 5018 1 103 . 1 1 15 15 THR HG23 H 1 1.2900 . . . . . . . . . . . 5018 1 104 . 1 1 16 16 LEU H H 1 8.1337 . . . . . . . . . . . 5018 1 105 . 1 1 16 16 LEU N N 15 118.7904 . . . . . . . . . . . 5018 1 106 . 1 1 16 16 LEU C C 13 179.7500 . . . . . . . . . . . 5018 1 107 . 1 1 16 16 LEU CA C 13 58.4000 . . . . . . . . . . . 5018 1 108 . 1 1 16 16 LEU CB C 13 40.3000 . . . . . . . . . . . 5018 1 109 . 1 1 16 16 LEU CD1 C 13 24.500 . . . . . . . . . . . 5018 1 110 . 1 1 16 16 LEU HA H 1 4.1300 . . . . . . . . . . . 5018 1 111 . 1 1 16 16 LEU HB2 H 1 2.2000 . . . . . . . . . . . 5018 1 112 . 1 1 16 16 LEU HB3 H 1 1.4000 . . . . . . . . . . . 5018 1 113 . 1 1 16 16 LEU HD11 H 1 0.9200 . . . . . . . . . . . 5018 1 114 . 1 1 16 16 LEU HD12 H 1 0.9200 . . . . . . . . . . . 5018 1 115 . 1 1 16 16 LEU HD13 H 1 0.9200 . . . . . . . . . . . 5018 1 116 . 1 1 17 17 TYR H H 1 8.8587 . . . . . . . . . . . 5018 1 117 . 1 1 17 17 TYR N N 15 118.0851 . . . . . . . . . . . 5018 1 118 . 1 1 17 17 TYR C C 13 177.8700 . . . . . . . . . . . 5018 1 119 . 1 1 17 17 TYR CA C 13 63.3100 . . . . . . . . . . . 5018 1 120 . 1 1 17 17 TYR CB C 13 37.7500 . . . . . . . . . . . 5018 1 121 . 1 1 17 17 TYR CD1 C 13 132.3300 . . . . . . . . . . . 5018 1 122 . 1 1 17 17 TYR CE1 C 13 117.9900 . . . . . . . . . . . 5018 1 123 . 1 1 17 17 TYR HA H 1 4.3800 . . . . . . . . . . . 5018 1 124 . 1 1 17 17 TYR HB2 H 1 3.1200 . . . . . . . . . . . 5018 1 125 . 1 1 17 17 TYR HB3 H 1 3.0700 . . . . . . . . . . . 5018 1 126 . 1 1 17 17 TYR HD1 H 1 7.0200 . . . . . . . . . . . 5018 1 127 . 1 1 17 17 TYR HE1 H 1 6.4700 . . . . . . . . . . . 5018 1 128 . 1 1 18 18 ALA H H 1 7.9654 . . . . . . . . . . . 5018 1 129 . 1 1 18 18 ALA N N 15 120.8835 . . . . . . . . . . . 5018 1 130 . 1 1 18 18 ALA C C 13 180.3700 . . . . . . . . . . . 5018 1 131 . 1 1 18 18 ALA CA C 13 55.1700 . . . . . . . . . . . 5018 1 132 . 1 1 18 18 ALA CB C 13 18.2400 . . . . . . . . . . . 5018 1 133 . 1 1 18 18 ALA HA H 1 4.2700 . . . . . . . . . . . 5018 1 134 . 1 1 18 18 ALA HB1 H 1 1.6800 . . . . . . . . . . . 5018 1 135 . 1 1 18 18 ALA HB2 H 1 1.6800 . . . . . . . . . . . 5018 1 136 . 1 1 18 18 ALA HB3 H 1 1.6800 . . . . . . . . . . . 5018 1 137 . 1 1 19 19 VAL H H 1 7.9255 . . . . . . . . . . . 5018 1 138 . 1 1 19 19 VAL N N 15 119.0532 . . . . . . . . . . . 5018 1 139 . 1 1 19 19 VAL C C 13 177.6100 . . . . . . . . . . . 5018 1 140 . 1 1 19 19 VAL CA C 13 66.7370 . . . . . . . . . . . 5018 1 141 . 1 1 19 19 VAL CB C 13 31.2381 . . . . . . . . . . . 5018 1 142 . 1 1 19 19 VAL CG1 C 13 22.7891 . . . . . . . . . . . 5018 1 143 . 1 1 19 19 VAL CG2 C 13 23.6340 . . . . . . . . . . . 5018 1 144 . 1 1 19 19 VAL HA H 1 3.6700 . . . . . . . . . . . 5018 1 145 . 1 1 19 19 VAL HB H 1 2.6200 . . . . . . . . . . . 5018 1 146 . 1 1 19 19 VAL HG11 H 1 1.1900 . . . . . . . . . . . 5018 1 147 . 1 1 19 19 VAL HG12 H 1 1.1900 . . . . . . . . . . . 5018 1 148 . 1 1 19 19 VAL HG13 H 1 1.1900 . . . . . . . . . . . 5018 1 149 . 1 1 19 19 VAL HG21 H 1 0.8900 . . . . . . . . . . . 5018 1 150 . 1 1 19 19 VAL HG22 H 1 0.8900 . . . . . . . . . . . 5018 1 151 . 1 1 19 19 VAL HG23 H 1 0.8900 . . . . . . . . . . . 5018 1 152 . 1 1 20 20 VAL H H 1 8.0585 . . . . . . . . . . . 5018 1 153 . 1 1 20 20 VAL N N 15 118.6518 . . . . . . . . . . . 5018 1 154 . 1 1 20 20 VAL C C 13 177.1000 . . . . . . . . . . . 5018 1 155 . 1 1 20 20 VAL CA C 13 66.4300 . . . . . . . . . . . 5018 1 156 . 1 1 20 20 VAL CB C 13 31.7800 . . . . . . . . . . . 5018 1 157 . 1 1 20 20 VAL CG1 C 13 22.8104 . . . . . . . . . . . 5018 1 158 . 1 1 20 20 VAL CG2 C 13 21.8428 . . . . . . . . . . . 5018 1 159 . 1 1 20 20 VAL HA H 1 3.6100 . . . . . . . . . . . 5018 1 160 . 1 1 20 20 VAL HB H 1 2.4100 . . . . . . . . . . . 5018 1 161 . 1 1 20 20 VAL HG11 H 1 1.1400 . . . . . . . . . . . 5018 1 162 . 1 1 20 20 VAL HG12 H 1 1.1400 . . . . . . . . . . . 5018 1 163 . 1 1 20 20 VAL HG13 H 1 1.1400 . . . . . . . . . . . 5018 1 164 . 1 1 20 20 VAL HG21 H 1 0.9200 . . . . . . . . . . . 5018 1 165 . 1 1 20 20 VAL HG22 H 1 0.9200 . . . . . . . . . . . 5018 1 166 . 1 1 20 20 VAL HG23 H 1 0.9200 . . . . . . . . . . . 5018 1 167 . 1 1 21 21 GLU H H 1 7.9853 . . . . . . . . . . . 5018 1 168 . 1 1 21 21 GLU N N 15 113.2346 . . . . . . . . . . . 5018 1 169 . 1 1 21 21 GLU C C 13 177.0200 . . . . . . . . . . . 5018 1 170 . 1 1 21 21 GLU CA C 13 57.7800 . . . . . . . . . . . 5018 1 171 . 1 1 21 21 GLU CB C 13 29.7100 . . . . . . . . . . . 5018 1 172 . 1 1 21 21 GLU CG C 13 34.9567 . . . . . . . . . . . 5018 1 173 . 1 1 21 21 GLU HA H 1 4.1200 . . . . . . . . . . . 5018 1 174 . 1 1 21 21 GLU HB2 H 1 2.1200 . . . . . . . . . . . 5018 1 175 . 1 1 21 21 GLU HG2 H 1 2.5100 . . . . . . . . . . . 5018 1 176 . 1 1 21 21 GLU HG3 H 1 2.4300 . . . . . . . . . . . 5018 1 177 . 1 1 22 22 ASN H H 1 7.5004 . . . . . . . . . . . 5018 1 178 . 1 1 22 22 ASN N N 15 114.7848 . . . . . . . . . . . 5018 1 179 . 1 1 22 22 ASN C C 13 174.5100 . . . . . . . . . . . 5018 1 180 . 1 1 22 22 ASN CA C 13 55.1500 . . . . . . . . . . . 5018 1 181 . 1 1 22 22 ASN CB C 13 42.8900 . . . . . . . . . . . 5018 1 182 . 1 1 22 22 ASN HA H 1 4.9600 . . . . . . . . . . . 5018 1 183 . 1 1 22 22 ASN HB2 H 1 2.8000 . . . . . . . . . . . 5018 1 184 . 1 1 22 22 ASN HB3 H 1 2.6200 . . . . . . . . . . . 5018 1 185 . 1 1 22 22 ASN HD21 H 1 8.4000 . . . . . . . . . . . 5018 1 186 . 1 1 22 22 ASN HD22 H 1 7.2600 . . . . . . . . . . . 5018 1 187 . 1 1 23 23 VAL H H 1 7.6736 . . . . . . . . . . . 5018 1 188 . 1 1 23 23 VAL N N 15 122.9719 . . . . . . . . . . . 5018 1 189 . 1 1 23 23 VAL CA C 13 61.5500 . . . . . . . . . . . 5018 1 190 . 1 1 23 23 VAL CB C 13 33.0000 . . . . . . . . . . . 5018 1 191 . 1 1 23 23 VAL CG1 C 13 22.7200 . . . . . . . . . . . 5018 1 192 . 1 1 23 23 VAL CG2 C 13 19.7500 . . . . . . . . . . . 5018 1 193 . 1 1 23 23 VAL HA H 1 4.3500 . . . . . . . . . . . 5018 1 194 . 1 1 23 23 VAL HB H 1 2.1400 . . . . . . . . . . . 5018 1 195 . 1 1 23 23 VAL HG11 H 1 0.5500 . . . . . . . . . . . 5018 1 196 . 1 1 23 23 VAL HG12 H 1 0.5500 . . . . . . . . . . . 5018 1 197 . 1 1 23 23 VAL HG13 H 1 0.5500 . . . . . . . . . . . 5018 1 198 . 1 1 23 23 VAL HG21 H 1 0.7200 . . . . . . . . . . . 5018 1 199 . 1 1 23 23 VAL HG22 H 1 0.7200 . . . . . . . . . . . 5018 1 200 . 1 1 23 23 VAL HG23 H 1 0.7200 . . . . . . . . . . . 5018 1 201 . 1 1 24 24 PRO CG C 13 28.0000 . . . . . . . . . . . 5018 1 202 . 1 1 24 24 PRO CD C 13 51.6200 . . . . . . . . . . . 5018 1 203 . 1 1 24 24 PRO HG2 H 1 2.1800 . . . . . . . . . . . 5018 1 204 . 1 1 24 24 PRO HG3 H 1 1.8700 . . . . . . . . . . . 5018 1 205 . 1 1 24 24 PRO HD2 H 1 4.3300 . . . . . . . . . . . 5018 1 206 . 1 1 24 24 PRO HD3 H 1 3.4400 . . . . . . . . . . . 5018 1 207 . 1 1 25 25 PRO C C 13 179.7500 . . . . . . . . . . . 5018 1 208 . 1 1 25 25 PRO CA C 13 65.9300 . . . . . . . . . . . 5018 1 209 . 1 1 25 25 PRO CB C 13 32.1800 . . . . . . . . . . . 5018 1 210 . 1 1 25 25 PRO CG C 13 27.6600 . . . . . . . . . . . 5018 1 211 . 1 1 25 25 PRO CD C 13 51.0600 . . . . . . . . . . . 5018 1 212 . 1 1 25 25 PRO HA H 1 4.3800 . . . . . . . . . . . 5018 1 213 . 1 1 25 25 PRO HB2 H 1 2.5000 . . . . . . . . . . . 5018 1 214 . 1 1 25 25 PRO HB3 H 1 2.1000 . . . . . . . . . . . 5018 1 215 . 1 1 25 25 PRO HG2 H 1 2.2200 . . . . . . . . . . . 5018 1 216 . 1 1 25 25 PRO HG3 H 1 2.1700 . . . . . . . . . . . 5018 1 217 . 1 1 25 25 PRO HD2 H 1 4.0500 . . . . . . . . . . . 5018 1 218 . 1 1 26 26 LEU H H 1 8.7404 . . . . . . . . . . . 5018 1 219 . 1 1 26 26 LEU N N 15 116.8504 . . . . . . . . . . . 5018 1 220 . 1 1 26 26 LEU C C 13 178.3100 . . . . . . . . . . . 5018 1 221 . 1 1 26 26 LEU CA C 13 57.1600 . . . . . . . . . . . 5018 1 222 . 1 1 26 26 LEU CB C 13 41.6900 . . . . . . . . . . . 5018 1 223 . 1 1 26 26 LEU CG C 13 27.4632 . . . . . . . . . . . 5018 1 224 . 1 1 26 26 LEU CD1 C 13 24.8582 . . . . . . . . . . . 5018 1 225 . 1 1 26 26 LEU CD2 C 13 23.2724 . . . . . . . . . . . 5018 1 226 . 1 1 26 26 LEU HA H 1 4.4300 . . . . . . . . . . . 5018 1 227 . 1 1 26 26 LEU HB2 H 1 1.9000 . . . . . . . . . . . 5018 1 228 . 1 1 26 26 LEU HB3 H 1 1.7500 . . . . . . . . . . . 5018 1 229 . 1 1 26 26 LEU HD11 H 1 1.0800 . . . . . . . . . . . 5018 1 230 . 1 1 26 26 LEU HD12 H 1 1.0800 . . . . . . . . . . . 5018 1 231 . 1 1 26 26 LEU HD13 H 1 1.0800 . . . . . . . . . . . 5018 1 232 . 1 1 27 27 ARG H H 1 8.1658 . . . . . . . . . . . 5018 1 233 . 1 1 27 27 ARG N N 15 114.7242 . . . . . . . . . . . 5018 1 234 . 1 1 27 27 ARG C C 13 175.8300 . . . . . . . . . . . 5018 1 235 . 1 1 27 27 ARG CA C 13 53.4360 . . . . . . . . . . . 5018 1 236 . 1 1 27 27 ARG CB C 13 29.2240 . . . . . . . . . . . 5018 1 237 . 1 1 27 27 ARG CG C 13 25.9672 . . . . . . . . . . . 5018 1 238 . 1 1 27 27 ARG CD C 13 41.1771 . . . . . . . . . . . 5018 1 239 . 1 1 27 27 ARG HA H 1 4.9300 . . . . . . . . . . . 5018 1 240 . 1 1 27 27 ARG HB2 H 1 2.2700 . . . . . . . . . . . 5018 1 241 . 1 1 27 27 ARG HB3 H 1 1.6200 . . . . . . . . . . . 5018 1 242 . 1 1 27 27 ARG HG2 H 1 1.9000 . . . . . . . . . . . 5018 1 243 . 1 1 27 27 ARG HD2 H 1 3.3400 . . . . . . . . . . . 5018 1 244 . 1 1 28 28 TRP H H 1 7.6984 . . . . . . . . . . . 5018 1 245 . 1 1 28 28 TRP N N 15 120.9029 . . . . . . . . . . . 5018 1 246 . 1 1 28 28 TRP C C 13 176.1500 . . . . . . . . . . . 5018 1 247 . 1 1 28 28 TRP CA C 13 61.2700 . . . . . . . . . . . 5018 1 248 . 1 1 28 28 TRP CB C 13 30.0200 . . . . . . . . . . . 5018 1 249 . 1 1 28 28 TRP CD1 C 13 126.3900 . . . . . . . . . . . 5018 1 250 . 1 1 28 28 TRP NE1 N 15 127.800 . . . . . . . . . . . 5018 1 251 . 1 1 28 28 TRP CZ2 C 13 114.6600 . . . . . . . . . . . 5018 1 252 . 1 1 28 28 TRP CE3 C 13 121.1100 . . . . . . . . . . . 5018 1 253 . 1 1 28 28 TRP CZ3 C 13 121.7000 . . . . . . . . . . . 5018 1 254 . 1 1 28 28 TRP CH2 C 13 124.100 . . . . . . . . . . . 5018 1 255 . 1 1 28 28 TRP HA H 1 4.1900 . . . . . . . . . . . 5018 1 256 . 1 1 28 28 TRP HB2 H 1 3.5000 . . . . . . . . . . . 5018 1 257 . 1 1 28 28 TRP HB3 H 1 3.4400 . . . . . . . . . . . 5018 1 258 . 1 1 28 28 TRP HD1 H 1 7.2300 . . . . . . . . . . . 5018 1 259 . 1 1 28 28 TRP HE1 H 1 9.6100 . . . . . . . . . . . 5018 1 260 . 1 1 28 28 TRP HZ2 H 1 7.6800 . . . . . . . . . . . 5018 1 261 . 1 1 28 28 TRP HH2 H 1 7.1100 . . . . . . . . . . . 5018 1 262 . 1 1 28 28 TRP HZ3 H 1 6.9300 . . . . . . . . . . . 5018 1 263 . 1 1 28 28 TRP HE3 H 1 7.4300 . . . . . . . . . . . 5018 1 264 . 1 1 29 29 LYS H H 1 8.7774 . . . . . . . . . . . 5018 1 265 . 1 1 29 29 LYS N N 15 117.5254 . . . . . . . . . . . 5018 1 266 . 1 1 29 29 LYS C C 13 177.7000 . . . . . . . . . . . 5018 1 267 . 1 1 29 29 LYS CA C 13 60.6800 . . . . . . . . . . . 5018 1 268 . 1 1 29 29 LYS CB C 13 31.5200 . . . . . . . . . . . 5018 1 269 . 1 1 29 29 LYS CG C 13 26.5108 . . . . . . . . . . . 5018 1 270 . 1 1 29 29 LYS CD C 13 29.5949 . . . . . . . . . . . 5018 1 271 . 1 1 29 29 LYS CE C 13 42.2490 . . . . . . . . . . . 5018 1 272 . 1 1 29 29 LYS HA H 1 3.8700 . . . . . . . . . . . 5018 1 273 . 1 1 29 29 LYS HB2 H 1 1.9900 . . . . . . . . . . . 5018 1 274 . 1 1 29 29 LYS HB3 H 1 1.9000 . . . . . . . . . . . 5018 1 275 . 1 1 29 29 LYS HG2 H 1 1.6900 . . . . . . . . . . . 5018 1 276 . 1 1 29 29 LYS HG3 H 1 1.4600 . . . . . . . . . . . 5018 1 277 . 1 1 29 29 LYS HE2 H 1 3.0700 . . . . . . . . . . . 5018 1 278 . 1 1 30 30 GLU H H 1 8.0755 . . . . . . . . . . . 5018 1 279 . 1 1 30 30 GLU N N 15 119.0414 . . . . . . . . . . . 5018 1 280 . 1 1 30 30 GLU C C 13 177.6200 . . . . . . . . . . . 5018 1 281 . 1 1 30 30 GLU CA C 13 59.0400 . . . . . . . . . . . 5018 1 282 . 1 1 30 30 GLU CB C 13 29.2700 . . . . . . . . . . . 5018 1 283 . 1 1 30 30 GLU CG C 13 35.9700 . . . . . . . . . . . 5018 1 284 . 1 1 30 30 GLU HA H 1 3.9100 . . . . . . . . . . . 5018 1 285 . 1 1 30 30 GLU HB2 H 1 2.1900 . . . . . . . . . . . 5018 1 286 . 1 1 30 30 GLU HB3 H 1 2.1000 . . . . . . . . . . . 5018 1 287 . 1 1 30 30 GLU HG2 H 1 2.6300 . . . . . . . . . . . 5018 1 288 . 1 1 31 31 PHE H H 1 7.9800 . . . . . . . . . . . 5018 1 289 . 1 1 31 31 PHE N N 15 119.8700 . . . . . . . . . . . 5018 1 290 . 1 1 31 31 PHE C C 13 175.9400 . . . . . . . . . . . 5018 1 291 . 1 1 31 31 PHE CA C 13 60.5900 . . . . . . . . . . . 5018 1 292 . 1 1 31 31 PHE CB C 13 38.9600 . . . . . . . . . . . 5018 1 293 . 1 1 31 31 PHE CD1 C 13 131.8700 . . . . . . . . . . . 5018 1 294 . 1 1 31 31 PHE CE1 C 13 129.2200 . . . . . . . . . . . 5018 1 295 . 1 1 31 31 PHE HA H 1 4.2700 . . . . . . . . . . . 5018 1 296 . 1 1 31 31 PHE HB2 H 1 3.0600 . . . . . . . . . . . 5018 1 297 . 1 1 31 31 PHE HB3 H 1 2.7500 . . . . . . . . . . . 5018 1 298 . 1 1 31 31 PHE HD2 H 1 6.5100 . . . . . . . . . . . 5018 1 299 . 1 1 31 31 PHE HE1 H 1 6.7600 . . . . . . . . . . . 5018 1 300 . 1 1 32 32 VAL H H 1 7.9615 . . . . . . . . . . . 5018 1 301 . 1 1 32 32 VAL N N 15 110.2782 . . . . . . . . . . . 5018 1 302 . 1 1 32 32 VAL C C 13 178.7700 . . . . . . . . . . . 5018 1 303 . 1 1 32 32 VAL CA C 13 65.0100 . . . . . . . . . . . 5018 1 304 . 1 1 32 32 VAL CB C 13 30.7500 . . . . . . . . . . . 5018 1 305 . 1 1 32 32 VAL CG1 C 13 24.0098 . . . . . . . . . . . 5018 1 306 . 1 1 32 32 VAL CG2 C 13 20.1400 . . . . . . . . . . . 5018 1 307 . 1 1 32 32 VAL HA H 1 3.2800 . . . . . . . . . . . 5018 1 308 . 1 1 32 32 VAL HB H 1 1.9100 . . . . . . . . . . . 5018 1 309 . 1 1 32 32 VAL HG11 H 1 0.4400 . . . . . . . . . . . 5018 1 310 . 1 1 32 32 VAL HG12 H 1 0.4400 . . . . . . . . . . . 5018 1 311 . 1 1 32 32 VAL HG13 H 1 0.4400 . . . . . . . . . . . 5018 1 312 . 1 1 32 32 VAL HG21 H 1 0.9200 . . . . . . . . . . . 5018 1 313 . 1 1 32 32 VAL HG22 H 1 0.9200 . . . . . . . . . . . 5018 1 314 . 1 1 32 32 VAL HG23 H 1 0.9200 . . . . . . . . . . . 5018 1 315 . 1 1 33 33 LYS H H 1 8.1823 . . . . . . . . . . . 5018 1 316 . 1 1 33 33 LYS N N 15 123.1667 . . . . . . . . . . . 5018 1 317 . 1 1 33 33 LYS C C 13 181.8300 . . . . . . . . . . . 5018 1 318 . 1 1 33 33 LYS CA C 13 59.1500 . . . . . . . . . . . 5018 1 319 . 1 1 33 33 LYS CB C 13 31.1100 . . . . . . . . . . . 5018 1 320 . 1 1 33 33 LYS CG C 13 25.2160 . . . . . . . . . . . 5018 1 321 . 1 1 33 33 LYS HA H 1 4.4400 . . . . . . . . . . . 5018 1 322 . 1 1 33 33 LYS HB2 H 1 1.9300 . . . . . . . . . . . 5018 1 323 . 1 1 34 34 ARG H H 1 8.2485 . . . . . . . . . . . 5018 1 324 . 1 1 34 34 ARG N N 15 122.1484 . . . . . . . . . . . 5018 1 325 . 1 1 34 34 ARG C C 13 178.6400 . . . . . . . . . . . 5018 1 326 . 1 1 34 34 ARG CA C 13 59.2200 . . . . . . . . . . . 5018 1 327 . 1 1 34 34 ARG CB C 13 30.2300 . . . . . . . . . . . 5018 1 328 . 1 1 34 34 ARG CG C 13 29.7372 . . . . . . . . . . . 5018 1 329 . 1 1 34 34 ARG CD C 13 43.6028 . . . . . . . . . . . 5018 1 330 . 1 1 34 34 ARG HA H 1 4.0500 . . . . . . . . . . . 5018 1 331 . 1 1 34 34 ARG HB2 H 1 2.0000 . . . . . . . . . . . 5018 1 332 . 1 1 34 34 ARG HG2 H 1 1.7900 . . . . . . . . . . . 5018 1 333 . 1 1 34 34 ARG HD2 H 1 3.3400 . . . . . . . . . . . 5018 1 334 . 1 1 35 35 LEU H H 1 7.2921 . . . . . . . . . . . 5018 1 335 . 1 1 35 35 LEU N N 15 118.1863 . . . . . . . . . . . 5018 1 336 . 1 1 35 35 LEU C C 13 177.2200 . . . . . . . . . . . 5018 1 337 . 1 1 35 35 LEU CA C 13 55.4300 . . . . . . . . . . . 5018 1 338 . 1 1 35 35 LEU CB C 13 40.7200 . . . . . . . . . . . 5018 1 339 . 1 1 35 35 LEU CD1 C 13 24.2263 . . . . . . . . . . . 5018 1 340 . 1 1 35 35 LEU CD2 C 13 21.3139 . . . . . . . . . . . 5018 1 341 . 1 1 35 35 LEU HA H 1 3.9300 . . . . . . . . . . . 5018 1 342 . 1 1 35 35 LEU HB2 H 1 1.3000 . . . . . . . . . . . 5018 1 343 . 1 1 35 35 LEU HB3 H 1 0.9000 . . . . . . . . . . . 5018 1 344 . 1 1 35 35 LEU HD11 H 1 -0.6100 . . . . . . . . . . . 5018 1 345 . 1 1 35 35 LEU HD12 H 1 -0.6100 . . . . . . . . . . . 5018 1 346 . 1 1 35 35 LEU HD13 H 1 -0.6100 . . . . . . . . . . . 5018 1 347 . 1 1 35 35 LEU HD21 H 1 -0.2300 . . . . . . . . . . . 5018 1 348 . 1 1 35 35 LEU HD22 H 1 -0.2300 . . . . . . . . . . . 5018 1 349 . 1 1 35 35 LEU HD23 H 1 -0.2300 . . . . . . . . . . . 5018 1 350 . 1 1 36 36 GLY H H 1 7.5918 . . . . . . . . . . . 5018 1 351 . 1 1 36 36 GLY N N 15 104.6244 . . . . . . . . . . . 5018 1 352 . 1 1 36 36 GLY C C 13 175.0500 . . . . . . . . . . . 5018 1 353 . 1 1 36 36 GLY CA C 13 45.1600 . . . . . . . . . . . 5018 1 354 . 1 1 36 36 GLY HA2 H 1 4.4400 . . . . . . . . . . . 5018 1 355 . 1 1 36 36 GLY HA3 H 1 3.7500 . . . . . . . . . . . 5018 1 356 . 1 1 37 37 LEU H H 1 7.6841 . . . . . . . . . . . 5018 1 357 . 1 1 37 37 LEU N N 15 122.7480 . . . . . . . . . . . 5018 1 358 . 1 1 37 37 LEU C C 13 176.3200 . . . . . . . . . . . 5018 1 359 . 1 1 37 37 LEU CA C 13 55.7100 . . . . . . . . . . . 5018 1 360 . 1 1 37 37 LEU CB C 13 41.6600 . . . . . . . . . . . 5018 1 361 . 1 1 37 37 LEU CG C 13 29.4312 . . . . . . . . . . . 5018 1 362 . 1 1 37 37 LEU HA H 1 4.5400 . . . . . . . . . . . 5018 1 363 . 1 1 37 37 LEU HB2 H 1 1.5700 . . . . . . . . . . . 5018 1 364 . 1 1 37 37 LEU HB3 H 1 1.5000 . . . . . . . . . . . 5018 1 365 . 1 1 37 37 LEU HG H 1 1.7500 . . . . . . . . . . . 5018 1 366 . 1 1 37 37 LEU HD11 H 1 0.9200 . . . . . . . . . . . 5018 1 367 . 1 1 37 37 LEU HD12 H 1 0.9200 . . . . . . . . . . . 5018 1 368 . 1 1 37 37 LEU HD13 H 1 0.9200 . . . . . . . . . . . 5018 1 369 . 1 1 38 38 SER H H 1 8.9414 . . . . . . . . . . . 5018 1 370 . 1 1 38 38 SER N N 15 117.7875 . . . . . . . . . . . 5018 1 371 . 1 1 38 38 SER C C 13 175.1600 . . . . . . . . . . . 5018 1 372 . 1 1 38 38 SER CA C 13 56.7800 . . . . . . . . . . . 5018 1 373 . 1 1 38 38 SER CB C 13 65.6200 . . . . . . . . . . . 5018 1 374 . 1 1 38 38 SER HA H 1 4.6600 . . . . . . . . . . . 5018 1 375 . 1 1 38 38 SER HB2 H 1 4.4300 . . . . . . . . . . . 5018 1 376 . 1 1 38 38 SER HB3 H 1 4.1500 . . . . . . . . . . . 5018 1 377 . 1 1 39 39 ASP H H 1 8.9159 . . . . . . . . . . . 5018 1 378 . 1 1 39 39 ASP N N 15 121.4012 . . . . . . . . . . . 5018 1 379 . 1 1 39 39 ASP C C 13 177.9600 . . . . . . . . . . . 5018 1 380 . 1 1 39 39 ASP CA C 13 57.8900 . . . . . . . . . . . 5018 1 381 . 1 1 39 39 ASP CB C 13 40.2600 . . . . . . . . . . . 5018 1 382 . 1 1 39 39 ASP HA H 1 4.4300 . . . . . . . . . . . 5018 1 383 . 1 1 39 39 ASP HB2 H 1 2.7900 . . . . . . . . . . . 5018 1 384 . 1 1 39 39 ASP HB3 H 1 2.6600 . . . . . . . . . . . 5018 1 385 . 1 1 40 40 HIS H H 1 8.4946 . . . . . . . . . . . 5018 1 386 . 1 1 40 40 HIS N N 15 115.6163 . . . . . . . . . . . 5018 1 387 . 1 1 40 40 HIS C C 13 176.9500 . . . . . . . . . . . 5018 1 388 . 1 1 40 40 HIS CA C 13 58.2700 . . . . . . . . . . . 5018 1 389 . 1 1 40 40 HIS CB C 13 28.4200 . . . . . . . . . . . 5018 1 390 . 1 1 40 40 HIS HA H 1 4.6000 . . . . . . . . . . . 5018 1 391 . 1 1 40 40 HIS HB2 H 1 3.3500 . . . . . . . . . . . 5018 1 392 . 1 1 41 41 GLU H H 1 7.9458 . . . . . . . . . . . 5018 1 393 . 1 1 41 41 GLU N N 15 120.2751 . . . . . . . . . . . 5018 1 394 . 1 1 41 41 GLU C C 13 178.1000 . . . . . . . . . . . 5018 1 395 . 1 1 41 41 GLU CA C 13 59.1200 . . . . . . . . . . . 5018 1 396 . 1 1 41 41 GLU CB C 13 30.3100 . . . . . . . . . . . 5018 1 397 . 1 1 41 41 GLU CG C 13 37.1295 . . . . . . . . . . . 5018 1 398 . 1 1 41 41 GLU HA H 1 4.1900 . . . . . . . . . . . 5018 1 399 . 1 1 41 41 GLU HB2 H 1 2.0700 . . . . . . . . . . . 5018 1 400 . 1 1 41 41 GLU HG2 H 1 2.4600 . . . . . . . . . . . 5018 1 401 . 1 1 42 42 ILE H H 1 8.2187 . . . . . . . . . . . 5018 1 402 . 1 1 42 42 ILE N N 15 120.0780 . . . . . . . . . . . 5018 1 403 . 1 1 42 42 ILE C C 13 177.4900 . . . . . . . . . . . 5018 1 404 . 1 1 42 42 ILE CA C 13 65.7600 . . . . . . . . . . . 5018 1 405 . 1 1 42 42 ILE CB C 13 38.9000 . . . . . . . . . . . 5018 1 406 . 1 1 42 42 ILE CG1 C 13 29.3670 . . . . . . . . . . . 5018 1 407 . 1 1 42 42 ILE CG2 C 13 17.2280 . . . . . . . . . . . 5018 1 408 . 1 1 42 42 ILE CD1 C 13 14.7670 . . . . . . . . . . . 5018 1 409 . 1 1 42 42 ILE HA H 1 3.7200 . . . . . . . . . . . 5018 1 410 . 1 1 42 42 ILE HB H 1 2.0500 . . . . . . . . . . . 5018 1 411 . 1 1 42 42 ILE HG12 H 1 1.8600 . . . . . . . . . . . 5018 1 412 . 1 1 42 42 ILE HG13 H 1 1.0700 . . . . . . . . . . . 5018 1 413 . 1 1 42 42 ILE HG21 H 1 1.0700 . . . . . . . . . . . 5018 1 414 . 1 1 42 42 ILE HG22 H 1 1.0700 . . . . . . . . . . . 5018 1 415 . 1 1 42 42 ILE HG23 H 1 1.0700 . . . . . . . . . . . 5018 1 416 . 1 1 42 42 ILE HD11 H 1 0.8300 . . . . . . . . . . . 5018 1 417 . 1 1 42 42 ILE HD12 H 1 0.8300 . . . . . . . . . . . 5018 1 418 . 1 1 42 42 ILE HD13 H 1 0.8300 . . . . . . . . . . . 5018 1 419 . 1 1 43 43 ASP H H 1 8.2977 . . . . . . . . . . . 5018 1 420 . 1 1 43 43 ASP N N 15 118.7769 . . . . . . . . . . . 5018 1 421 . 1 1 43 43 ASP C C 13 178.2300 . . . . . . . . . . . 5018 1 422 . 1 1 43 43 ASP CA C 13 56.7900 . . . . . . . . . . . 5018 1 423 . 1 1 43 43 ASP CB C 13 40.0400 . . . . . . . . . . . 5018 1 424 . 1 1 43 43 ASP HA H 1 4.5000 . . . . . . . . . . . 5018 1 425 . 1 1 43 43 ASP HB2 H 1 2.8600 . . . . . . . . . . . 5018 1 426 . 1 1 44 44 ARG H H 1 7.9069 . . . . . . . . . . . 5018 1 427 . 1 1 44 44 ARG N N 15 119.0446 . . . . . . . . . . . 5018 1 428 . 1 1 44 44 ARG C C 13 178.4200 . . . . . . . . . . . 5018 1 429 . 1 1 44 44 ARG CA C 13 58.7400 . . . . . . . . . . . 5018 1 430 . 1 1 44 44 ARG CB C 13 30.1200 . . . . . . . . . . . 5018 1 431 . 1 1 44 44 ARG CG C 13 27.1097 . . . . . . . . . . . 5018 1 432 . 1 1 44 44 ARG CD C 13 43.3802 . . . . . . . . . . . 5018 1 433 . 1 1 44 44 ARG HA H 1 4.1800 . . . . . . . . . . . 5018 1 434 . 1 1 44 44 ARG HB2 H 1 1.9900 . . . . . . . . . . . 5018 1 435 . 1 1 44 44 ARG HG2 H 1 1.7300 . . . . . . . . . . . 5018 1 436 . 1 1 44 44 ARG HD2 H 1 3.2900 . . . . . . . . . . . 5018 1 437 . 1 1 45 45 LEU H H 1 8.1338 . . . . . . . . . . . 5018 1 438 . 1 1 45 45 LEU N N 15 119.9960 . . . . . . . . . . . 5018 1 439 . 1 1 45 45 LEU C C 13 179.2700 . . . . . . . . . . . 5018 1 440 . 1 1 45 45 LEU CA C 13 57.3500 . . . . . . . . . . . 5018 1 441 . 1 1 45 45 LEU CB C 13 41.8400 . . . . . . . . . . . 5018 1 442 . 1 1 45 45 LEU CG C 13 27.5686 . . . . . . . . . . . 5018 1 443 . 1 1 45 45 LEU CD1 C 13 26.0331 . . . . . . . . . . . 5018 1 444 . 1 1 45 45 LEU CD2 C 13 23.1049 . . . . . . . . . . . 5018 1 445 . 1 1 45 45 LEU HA H 1 4.2500 . . . . . . . . . . . 5018 1 446 . 1 1 45 45 LEU HB2 H 1 2.0200 . . . . . . . . . . . 5018 1 447 . 1 1 45 45 LEU HB3 H 1 1.6300 . . . . . . . . . . . 5018 1 448 . 1 1 45 45 LEU HD11 H 1 1.0000 . . . . . . . . . . . 5018 1 449 . 1 1 45 45 LEU HD12 H 1 1.0000 . . . . . . . . . . . 5018 1 450 . 1 1 45 45 LEU HD13 H 1 1.0000 . . . . . . . . . . . 5018 1 451 . 1 1 46 46 GLU H H 1 8.3874 . . . . . . . . . . . 5018 1 452 . 1 1 46 46 GLU N N 15 119.5421 . . . . . . . . . . . 5018 1 453 . 1 1 46 46 GLU C C 13 177.7500 . . . . . . . . . . . 5018 1 454 . 1 1 46 46 GLU CA C 13 58.7700 . . . . . . . . . . . 5018 1 455 . 1 1 46 46 GLU CB C 13 28.8700 . . . . . . . . . . . 5018 1 456 . 1 1 46 46 GLU CG C 13 35.0971 . . . . . . . . . . . 5018 1 457 . 1 1 46 46 GLU HB2 H 1 2.2600 . . . . . . . . . . . 5018 1 458 . 1 1 46 46 GLU HB3 H 1 2.1800 . . . . . . . . . . . 5018 1 459 . 1 1 46 46 GLU HG2 H 1 2.6300 . . . . . . . . . . . 5018 1 460 . 1 1 46 46 GLU HG3 H 1 2.3300 . . . . . . . . . . . 5018 1 461 . 1 1 47 47 LEU H H 1 7.9736 . . . . . . . . . . . 5018 1 462 . 1 1 47 47 LEU N N 15 120.1875 . . . . . . . . . . . 5018 1 463 . 1 1 47 47 LEU C C 13 179.0500 . . . . . . . . . . . 5018 1 464 . 1 1 47 47 LEU CA C 13 56.7900 . . . . . . . . . . . 5018 1 465 . 1 1 47 47 LEU CB C 13 42.1800 . . . . . . . . . . . 5018 1 466 . 1 1 47 47 LEU CG C 13 27.1178 . . . . . . . . . . . 5018 1 467 . 1 1 47 47 LEU CD1 C 13 24.9931 . . . . . . . . . . . 5018 1 468 . 1 1 47 47 LEU CD2 C 13 23.6835 . . . . . . . . . . . 5018 1 469 . 1 1 47 47 LEU HA H 1 4.3300 . . . . . . . . . . . 5018 1 470 . 1 1 47 47 LEU HB2 H 1 1.9000 . . . . . . . . . . . 5018 1 471 . 1 1 47 47 LEU HB3 H 1 1.8200 . . . . . . . . . . . 5018 1 472 . 1 1 47 47 LEU HD11 H 1 1.0100 . . . . . . . . . . . 5018 1 473 . 1 1 47 47 LEU HD12 H 1 1.0100 . . . . . . . . . . . 5018 1 474 . 1 1 47 47 LEU HD13 H 1 1.0100 . . . . . . . . . . . 5018 1 475 . 1 1 48 48 GLN H H 1 8.1774 . . . . . . . . . . . 5018 1 476 . 1 1 48 48 GLN N N 15 117.9315 . . . . . . . . . . . 5018 1 477 . 1 1 48 48 GLN C C 13 176.2400 . . . . . . . . . . . 5018 1 478 . 1 1 48 48 GLN CA C 13 57.0800 . . . . . . . . . . . 5018 1 479 . 1 1 48 48 GLN CB C 13 29.4400 . . . . . . . . . . . 5018 1 480 . 1 1 48 48 GLN CG C 13 34.0886 . . . . . . . . . . . 5018 1 481 . 1 1 48 48 GLN HA H 1 4.3300 . . . . . . . . . . . 5018 1 482 . 1 1 48 48 GLN HB2 H 1 2.2200 . . . . . . . . . . . 5018 1 483 . 1 1 48 48 GLN HG2 H 1 2.5800 . . . . . . . . . . . 5018 1 484 . 1 1 48 48 GLN HG3 H 1 2.5100 . . . . . . . . . . . 5018 1 485 . 1 1 49 49 ASN H H 1 7.9127 . . . . . . . . . . . 5018 1 486 . 1 1 49 49 ASN N N 15 117.3194 . . . . . . . . . . . 5018 1 487 . 1 1 49 49 ASN C C 13 175.5300 . . . . . . . . . . . 5018 1 488 . 1 1 49 49 ASN CA C 13 53.5100 . . . . . . . . . . . 5018 1 489 . 1 1 49 49 ASN CB C 13 39.9200 . . . . . . . . . . . 5018 1 490 . 1 1 49 49 ASN HA H 1 4.9800 . . . . . . . . . . . 5018 1 491 . 1 1 49 49 ASN HB2 H 1 3.0400 . . . . . . . . . . . 5018 1 492 . 1 1 49 49 ASN HB3 H 1 2.7700 . . . . . . . . . . . 5018 1 493 . 1 1 50 50 GLY H H 1 8.1239 . . . . . . . . . . . 5018 1 494 . 1 1 50 50 GLY N N 15 108.3031 . . . . . . . . . . . 5018 1 495 . 1 1 50 50 GLY C C 13 174.8100 . . . . . . . . . . . 5018 1 496 . 1 1 50 50 GLY CA C 13 46.9200 . . . . . . . . . . . 5018 1 497 . 1 1 50 50 GLY HA2 H 1 4.0000 . . . . . . . . . . . 5018 1 498 . 1 1 50 50 GLY HA3 H 1 4.0900 . . . . . . . . . . . 5018 1 499 . 1 1 51 51 ARG H H 1 8.3550 . . . . . . . . . . . 5018 1 500 . 1 1 51 51 ARG N N 15 119.9600 . . . . . . . . . . . 5018 1 501 . 1 1 51 51 ARG C C 13 176.4400 . . . . . . . . . . . 5018 1 502 . 1 1 51 51 ARG CA C 13 56.9500 . . . . . . . . . . . 5018 1 503 . 1 1 51 51 ARG CB C 13 30.2200 . . . . . . . . . . . 5018 1 504 . 1 1 51 51 ARG CG C 13 27.3282 . . . . . . . . . . . 5018 1 505 . 1 1 51 51 ARG CD C 13 43.4386 . . . . . . . . . . . 5018 1 506 . 1 1 51 51 ARG HA H 1 4.3800 . . . . . . . . . . . 5018 1 507 . 1 1 51 51 ARG HB2 H 1 2.0000 . . . . . . . . . . . 5018 1 508 . 1 1 51 51 ARG HG2 H 1 1.7900 . . . . . . . . . . . 5018 1 509 . 1 1 51 51 ARG HD2 H 1 3.3300 . . . . . . . . . . . 5018 1 510 . 1 1 52 52 CYS H H 1 8.1237 . . . . . . . . . . . 5018 1 511 . 1 1 52 52 CYS N N 15 119.2289 . . . . . . . . . . . 5018 1 512 . 1 1 52 52 CYS C C 13 174.7000 . . . . . . . . . . . 5018 1 513 . 1 1 52 52 CYS CA C 13 58.0900 . . . . . . . . . . . 5018 1 514 . 1 1 52 52 CYS CB C 13 27.5500 . . . . . . . . . . . 5018 1 515 . 1 1 52 52 CYS HA H 1 4.6800 . . . . . . . . . . . 5018 1 516 . 1 1 52 52 CYS HB2 H 1 3.1300 . . . . . . . . . . . 5018 1 517 . 1 1 53 53 LEU H H 1 8.4646 . . . . . . . . . . . 5018 1 518 . 1 1 53 53 LEU N N 15 128.1319 . . . . . . . . . . . 5018 1 519 . 1 1 53 53 LEU C C 13 178.0800 . . . . . . . . . . . 5018 1 520 . 1 1 53 53 LEU CA C 13 58.1300 . . . . . . . . . . . 5018 1 521 . 1 1 53 53 LEU CB C 13 41.6900 . . . . . . . . . . . 5018 1 522 . 1 1 53 53 LEU CG C 13 26.8594 . . . . . . . . . . . 5018 1 523 . 1 1 53 53 LEU CD1 C 13 24.9884 . . . . . . . . . . . 5018 1 524 . 1 1 53 53 LEU CD2 C 13 23.5420 . . . . . . . . . . . 5018 1 525 . 1 1 53 53 LEU HA H 1 4.2200 . . . . . . . . . . . 5018 1 526 . 1 1 53 53 LEU HB2 H 1 1.7600 . . . . . . . . . . . 5018 1 527 . 1 1 53 53 LEU HG H 1 1.5400 . . . . . . . . . . . 5018 1 528 . 1 1 53 53 LEU HD11 H 1 0.9400 . . . . . . . . . . . 5018 1 529 . 1 1 53 53 LEU HD12 H 1 0.9400 . . . . . . . . . . . 5018 1 530 . 1 1 53 53 LEU HD13 H 1 0.9400 . . . . . . . . . . . 5018 1 531 . 1 1 54 54 ARG H H 1 8.5166 . . . . . . . . . . . 5018 1 532 . 1 1 54 54 ARG N N 15 118.4773 . . . . . . . . . . . 5018 1 533 . 1 1 54 54 ARG C C 13 178.6400 . . . . . . . . . . . 5018 1 534 . 1 1 54 54 ARG CA C 13 59.3500 . . . . . . . . . . . 5018 1 535 . 1 1 54 54 ARG CB C 13 30.2600 . . . . . . . . . . . 5018 1 536 . 1 1 54 54 ARG CG C 13 27.6499 . . . . . . . . . . . 5018 1 537 . 1 1 54 54 ARG CD C 13 43.5297 . . . . . . . . . . . 5018 1 538 . 1 1 54 54 ARG HA H 1 4.2500 . . . . . . . . . . . 5018 1 539 . 1 1 54 54 ARG HB2 H 1 1.9800 . . . . . . . . . . . 5018 1 540 . 1 1 54 54 ARG HB3 H 1 1.7900 . . . . . . . . . . . 5018 1 541 . 1 1 54 54 ARG HD2 H 1 3.2200 . . . . . . . . . . . 5018 1 542 . 1 1 55 55 GLU H H 1 7.7049 . . . . . . . . . . . 5018 1 543 . 1 1 55 55 GLU N N 15 117.3624 . . . . . . . . . . . 5018 1 544 . 1 1 55 55 GLU C C 13 179.4100 . . . . . . . . . . . 5018 1 545 . 1 1 55 55 GLU CA C 13 58.8600 . . . . . . . . . . . 5018 1 546 . 1 1 55 55 GLU CB C 13 28.9300 . . . . . . . . . . . 5018 1 547 . 1 1 55 55 GLU CG C 13 36.0487 . . . . . . . . . . . 5018 1 548 . 1 1 55 55 GLU HA H 1 4.4800 . . . . . . . . . . . 5018 1 549 . 1 1 55 55 GLU HB2 H 1 2.2800 . . . . . . . . . . . 5018 1 550 . 1 1 55 55 GLU HG2 H 1 2.5700 . . . . . . . . . . . 5018 1 551 . 1 1 56 56 ALA H H 1 8.1199 . . . . . . . . . . . 5018 1 552 . 1 1 56 56 ALA N N 15 124.5046 . . . . . . . . . . . 5018 1 553 . 1 1 56 56 ALA C C 13 180.2500 . . . . . . . . . . . 5018 1 554 . 1 1 56 56 ALA CA C 13 55.4400 . . . . . . . . . . . 5018 1 555 . 1 1 56 56 ALA CB C 13 18.4500 . . . . . . . . . . . 5018 1 556 . 1 1 56 56 ALA HA H 1 4.2800 . . . . . . . . . . . 5018 1 557 . 1 1 56 56 ALA HB1 H 1 1.6600 . . . . . . . . . . . 5018 1 558 . 1 1 56 56 ALA HB2 H 1 1.6600 . . . . . . . . . . . 5018 1 559 . 1 1 56 56 ALA HB3 H 1 1.6600 . . . . . . . . . . . 5018 1 560 . 1 1 57 57 GLN H H 1 8.7930 . . . . . . . . . . . 5018 1 561 . 1 1 57 57 GLN N N 15 118.5987 . . . . . . . . . . . 5018 1 562 . 1 1 57 57 GLN C C 13 178.2500 . . . . . . . . . . . 5018 1 563 . 1 1 57 57 GLN CA C 13 60.1000 . . . . . . . . . . . 5018 1 564 . 1 1 57 57 GLN CB C 13 30.1600 . . . . . . . . . . . 5018 1 565 . 1 1 57 57 GLN CG C 13 34.5304 . . . . . . . . . . . 5018 1 566 . 1 1 57 57 GLN HA H 1 4.0500 . . . . . . . . . . . 5018 1 567 . 1 1 57 57 GLN HB2 H 1 1.8000 . . . . . . . . . . . 5018 1 568 . 1 1 57 57 GLN HG2 H 1 2.2200 . . . . . . . . . . . 5018 1 569 . 1 1 58 58 TYR H H 1 8.6063 . . . . . . . . . . . 5018 1 570 . 1 1 58 58 TYR N N 15 120.0186 . . . . . . . . . . . 5018 1 571 . 1 1 58 58 TYR C C 13 177.2200 . . . . . . . . . . . 5018 1 572 . 1 1 58 58 TYR CA C 13 62.4900 . . . . . . . . . . . 5018 1 573 . 1 1 58 58 TYR CB C 13 38.2500 . . . . . . . . . . . 5018 1 574 . 1 1 58 58 TYR CD1 C 13 132.4800 . . . . . . . . . . . 5018 1 575 . 1 1 58 58 TYR CE1 C 13 118.5100 . . . . . . . . . . . 5018 1 576 . 1 1 58 58 TYR HA H 1 3.8500 . . . . . . . . . . . 5018 1 577 . 1 1 58 58 TYR HB2 H 1 3.2700 . . . . . . . . . . . 5018 1 578 . 1 1 58 58 TYR HB3 H 1 2.9900 . . . . . . . . . . . 5018 1 579 . 1 1 58 58 TYR HD1 H 1 6.6000 . . . . . . . . . . . 5018 1 580 . 1 1 58 58 TYR HD2 H 1 6.7800 . . . . . . . . . . . 5018 1 581 . 1 1 59 59 SER H H 1 8.6111 . . . . . . . . . . . 5018 1 582 . 1 1 59 59 SER N N 15 114.6805 . . . . . . . . . . . 5018 1 583 . 1 1 59 59 SER C C 13 177.7300 . . . . . . . . . . . 5018 1 584 . 1 1 59 59 SER CA C 13 62.2600 . . . . . . . . . . . 5018 1 585 . 1 1 59 59 SER CB C 13 62.9300 . . . . . . . . . . . 5018 1 586 . 1 1 59 59 SER HA H 1 4.2500 . . . . . . . . . . . 5018 1 587 . 1 1 59 59 SER HB2 H 1 4.2000 . . . . . . . . . . . 5018 1 588 . 1 1 59 59 SER HB3 H 1 4.2700 . . . . . . . . . . . 5018 1 589 . 1 1 60 60 MET H H 1 8.2819 . . . . . . . . . . . 5018 1 590 . 1 1 60 60 MET N N 15 122.5678 . . . . . . . . . . . 5018 1 591 . 1 1 60 60 MET C C 13 177.3300 . . . . . . . . . . . 5018 1 592 . 1 1 60 60 MET CA C 13 59.9100 . . . . . . . . . . . 5018 1 593 . 1 1 60 60 MET CB C 13 33.7200 . . . . . . . . . . . 5018 1 594 . 1 1 60 60 MET CG C 13 33.9300 . . . . . . . . . . . 5018 1 595 . 1 1 60 60 MET CE C 13 19.1100 . . . . . . . . . . . 5018 1 596 . 1 1 60 60 MET HA H 1 4.2000 . . . . . . . . . . . 5018 1 597 . 1 1 60 60 MET HB2 H 1 3.1600 . . . . . . . . . . . 5018 1 598 . 1 1 60 60 MET HB3 H 1 2.9200 . . . . . . . . . . . 5018 1 599 . 1 1 60 60 MET HG2 H 1 2.1800 . . . . . . . . . . . 5018 1 600 . 1 1 60 60 MET HE1 H 1 2.4300 . . . . . . . . . . . 5018 1 601 . 1 1 60 60 MET HE2 H 1 2.4300 . . . . . . . . . . . 5018 1 602 . 1 1 60 60 MET HE3 H 1 2.4300 . . . . . . . . . . . 5018 1 603 . 1 1 61 61 LEU H H 1 7.8402 . . . . . . . . . . . 5018 1 604 . 1 1 61 61 LEU N N 15 118.9782 . . . . . . . . . . . 5018 1 605 . 1 1 61 61 LEU C C 13 178.7100 . . . . . . . . . . . 5018 1 606 . 1 1 61 61 LEU CA C 13 57.3800 . . . . . . . . . . . 5018 1 607 . 1 1 61 61 LEU CB C 13 42.4600 . . . . . . . . . . . 5018 1 608 . 1 1 61 61 LEU CG C 13 27.3933 . . . . . . . . . . . 5018 1 609 . 1 1 61 61 LEU CD1 C 13 23.8720 . . . . . . . . . . . 5018 1 610 . 1 1 61 61 LEU HA H 1 4.4200 . . . . . . . . . . . 5018 1 611 . 1 1 61 61 LEU HB2 H 1 2.0200 . . . . . . . . . . . 5018 1 612 . 1 1 61 61 LEU HB3 H 1 1.8000 . . . . . . . . . . . 5018 1 613 . 1 1 61 61 LEU HD11 H 1 0.9100 . . . . . . . . . . . 5018 1 614 . 1 1 61 61 LEU HD12 H 1 0.9100 . . . . . . . . . . . 5018 1 615 . 1 1 61 61 LEU HD13 H 1 0.9100 . . . . . . . . . . . 5018 1 616 . 1 1 62 62 ALA H H 1 9.2558 . . . . . . . . . . . 5018 1 617 . 1 1 62 62 ALA N N 15 123.3473 . . . . . . . . . . . 5018 1 618 . 1 1 62 62 ALA C C 13 180.1700 . . . . . . . . . . . 5018 1 619 . 1 1 62 62 ALA CA C 13 55.3400 . . . . . . . . . . . 5018 1 620 . 1 1 62 62 ALA CB C 13 17.4600 . . . . . . . . . . . 5018 1 621 . 1 1 62 62 ALA HA H 1 3.9600 . . . . . . . . . . . 5018 1 622 . 1 1 62 62 ALA HB1 H 1 1.3100 . . . . . . . . . . . 5018 1 623 . 1 1 62 62 ALA HB2 H 1 1.3100 . . . . . . . . . . . 5018 1 624 . 1 1 62 62 ALA HB3 H 1 1.3100 . . . . . . . . . . . 5018 1 625 . 1 1 63 63 THR H H 1 8.0486 . . . . . . . . . . . 5018 1 626 . 1 1 63 63 THR N N 15 116.3006 . . . . . . . . . . . 5018 1 627 . 1 1 63 63 THR C C 13 175.9900 . . . . . . . . . . . 5018 1 628 . 1 1 63 63 THR CA C 13 67.1900 . . . . . . . . . . . 5018 1 629 . 1 1 63 63 THR CB C 13 68.6200 . . . . . . . . . . . 5018 1 630 . 1 1 63 63 THR CG2 C 13 20.8912 . . . . . . . . . . . 5018 1 631 . 1 1 63 63 THR HA H 1 3.9800 . . . . . . . . . . . 5018 1 632 . 1 1 63 63 THR HB H 1 4.5600 . . . . . . . . . . . 5018 1 633 . 1 1 63 63 THR HG21 H 1 1.3100 . . . . . . . . . . . 5018 1 634 . 1 1 63 63 THR HG22 H 1 1.3100 . . . . . . . . . . . 5018 1 635 . 1 1 63 63 THR HG23 H 1 1.3100 . . . . . . . . . . . 5018 1 636 . 1 1 64 64 TRP H H 1 7.8126 . . . . . . . . . . . 5018 1 637 . 1 1 64 64 TRP N N 15 122.3567 . . . . . . . . . . . 5018 1 638 . 1 1 64 64 TRP C C 13 178.1800 . . . . . . . . . . . 5018 1 639 . 1 1 64 64 TRP CA C 13 61.5800 . . . . . . . . . . . 5018 1 640 . 1 1 64 64 TRP CB C 13 27.6100 . . . . . . . . . . . 5018 1 641 . 1 1 64 64 TRP CD1 C 13 127.4300 . . . . . . . . . . . 5018 1 642 . 1 1 64 64 TRP NE1 N 15 130.6000 . . . . . . . . . . . 5018 1 643 . 1 1 64 64 TRP CZ2 C 13 115.0000 . . . . . . . . . . . 5018 1 644 . 1 1 64 64 TRP CH2 C 13 122.7060 . . . . . . . . . . . 5018 1 645 . 1 1 64 64 TRP CZ3 C 13 119.5200 . . . . . . . . . . . 5018 1 646 . 1 1 64 64 TRP CE3 C 13 120.8300 . . . . . . . . . . . 5018 1 647 . 1 1 64 64 TRP HA H 1 4.1200 . . . . . . . . . . . 5018 1 648 . 1 1 64 64 TRP HB2 H 1 3.7200 . . . . . . . . . . . 5018 1 649 . 1 1 64 64 TRP HB3 H 1 3.1800 . . . . . . . . . . . 5018 1 650 . 1 1 64 64 TRP HD1 H 1 7.2100 . . . . . . . . . . . 5018 1 651 . 1 1 64 64 TRP HE1 H 1 10.0200 . . . . . . . . . . . 5018 1 652 . 1 1 64 64 TRP HZ2 H 1 7.4300 . . . . . . . . . . . 5018 1 653 . 1 1 64 64 TRP HH2 H 1 7.1100 . . . . . . . . . . . 5018 1 654 . 1 1 64 64 TRP HZ3 H 1 6.8800 . . . . . . . . . . . 5018 1 655 . 1 1 64 64 TRP HE3 H 1 7.9300 . . . . . . . . . . . 5018 1 656 . 1 1 65 65 ARG H H 1 9.0636 . . . . . . . . . . . 5018 1 657 . 1 1 65 65 ARG N N 15 121.9736 . . . . . . . . . . . 5018 1 658 . 1 1 65 65 ARG C C 13 178.8800 . . . . . . . . . . . 5018 1 659 . 1 1 65 65 ARG CA C 13 57.7800 . . . . . . . . . . . 5018 1 660 . 1 1 65 65 ARG CB C 13 32.1500 . . . . . . . . . . . 5018 1 661 . 1 1 65 65 ARG HA H 1 4.3200 . . . . . . . . . . . 5018 1 662 . 1 1 65 65 ARG HB2 H 1 2.2000 . . . . . . . . . . . 5018 1 663 . 1 1 65 65 ARG HB3 H 1 2.0100 . . . . . . . . . . . 5018 1 664 . 1 1 66 66 ARG H H 1 7.9924 . . . . . . . . . . . 5018 1 665 . 1 1 66 66 ARG N N 15 117.9478 . . . . . . . . . . . 5018 1 666 . 1 1 66 66 ARG C C 13 177.2500 . . . . . . . . . . . 5018 1 667 . 1 1 66 66 ARG CA C 13 58.4100 . . . . . . . . . . . 5018 1 668 . 1 1 66 66 ARG CB C 13 30.5600 . . . . . . . . . . . 5018 1 669 . 1 1 66 66 ARG CG C 13 28.0200 . . . . . . . . . . . 5018 1 670 . 1 1 66 66 ARG CD C 13 43.6200 . . . . . . . . . . . 5018 1 671 . 1 1 66 66 ARG HA H 1 4.2200 . . . . . . . . . . . 5018 1 672 . 1 1 66 66 ARG HB2 H 1 2.0100 . . . . . . . . . . . 5018 1 673 . 1 1 66 66 ARG HG2 H 1 1.9700 . . . . . . . . . . . 5018 1 674 . 1 1 67 67 ARG H H 1 7.3390 . . . . . . . . . . . 5018 1 675 . 1 1 67 67 ARG N N 15 116.0837 . . . . . . . . . . . 5018 1 676 . 1 1 67 67 ARG C C 13 175.4100 . . . . . . . . . . . 5018 1 677 . 1 1 67 67 ARG CA C 13 55.8300 . . . . . . . . . . . 5018 1 678 . 1 1 67 67 ARG CB C 13 30.7100 . . . . . . . . . . . 5018 1 679 . 1 1 67 67 ARG CG C 13 26.0472 . . . . . . . . . . . 5018 1 680 . 1 1 67 67 ARG CD C 13 44.0750 . . . . . . . . . . . 5018 1 681 . 1 1 67 67 ARG HA H 1 4.5400 . . . . . . . . . . . 5018 1 682 . 1 1 67 67 ARG HB2 H 1 1.9100 . . . . . . . . . . . 5018 1 683 . 1 1 67 67 ARG HG2 H 1 2.0100 . . . . . . . . . . . 5018 1 684 . 1 1 67 67 ARG HG3 H 1 1.7400 . . . . . . . . . . . 5018 1 685 . 1 1 67 67 ARG HD2 H 1 3.2000 . . . . . . . . . . . 5018 1 686 . 1 1 68 68 THR H H 1 7.1498 . . . . . . . . . . . 5018 1 687 . 1 1 68 68 THR N N 15 120.2252 . . . . . . . . . . . 5018 1 688 . 1 1 68 68 THR CA C 13 60.5300 . . . . . . . . . . . 5018 1 689 . 1 1 68 68 THR CB C 13 69.8000 . . . . . . . . . . . 5018 1 690 . 1 1 68 68 THR CG2 C 13 20.6300 . . . . . . . . . . . 5018 1 691 . 1 1 68 68 THR HA H 1 4.5200 . . . . . . . . . . . 5018 1 692 . 1 1 68 68 THR HB H 1 3.2800 . . . . . . . . . . . 5018 1 693 . 1 1 68 68 THR HG21 H 1 1.0800 . . . . . . . . . . . 5018 1 694 . 1 1 68 68 THR HG22 H 1 1.0800 . . . . . . . . . . . 5018 1 695 . 1 1 68 68 THR HG23 H 1 1.0800 . . . . . . . . . . . 5018 1 696 . 1 1 69 69 PRO CA C 13 63.7100 . . . . . . . . . . . 5018 1 697 . 1 1 69 69 PRO CB C 13 32.5200 . . . . . . . . . . . 5018 1 698 . 1 1 69 69 PRO CG C 13 27.5100 . . . . . . . . . . . 5018 1 699 . 1 1 69 69 PRO CD C 13 51.4200 . . . . . . . . . . . 5018 1 700 . 1 1 69 69 PRO HA H 1 4.3800 . . . . . . . . . . . 5018 1 701 . 1 1 69 69 PRO HB2 H 1 2.4600 . . . . . . . . . . . 5018 1 702 . 1 1 69 69 PRO HB3 H 1 2.1400 . . . . . . . . . . . 5018 1 703 . 1 1 69 69 PRO HG2 H 1 1.9200 . . . . . . . . . . . 5018 1 704 . 1 1 69 69 PRO HD2 H 1 4.0300 . . . . . . . . . . . 5018 1 705 . 1 1 69 69 PRO HD3 H 1 3.7600 . . . . . . . . . . . 5018 1 706 . 1 1 70 70 ARG H H 1 8.5505 . . . . . . . . . . . 5018 1 707 . 1 1 70 70 ARG N N 15 123.5128 . . . . . . . . . . . 5018 1 708 . 1 1 70 70 ARG CA C 13 57.2800 . . . . . . . . . . . 5018 1 709 . 1 1 70 70 ARG CB C 13 29.8000 . . . . . . . . . . . 5018 1 710 . 1 1 70 70 ARG HA H 1 4.1800 . . . . . . . . . . . 5018 1 711 . 1 1 70 70 ARG HB2 H 1 1.9400 . . . . . . . . . . . 5018 1 712 . 1 1 71 71 ARG C C 13 176.0700 . . . . . . . . . . . 5018 1 713 . 1 1 71 71 ARG CA C 13 56.2400 . . . . . . . . . . . 5018 1 714 . 1 1 71 71 ARG CB C 13 30.7000 . . . . . . . . . . . 5018 1 715 . 1 1 71 71 ARG CG C 13 27.3294 . . . . . . . . . . . 5018 1 716 . 1 1 71 71 ARG CD C 13 43.4019 . . . . . . . . . . . 5018 1 717 . 1 1 71 71 ARG HA H 1 4.3300 . . . . . . . . . . . 5018 1 718 . 1 1 71 71 ARG HB2 H 1 1.8100 . . . . . . . . . . . 5018 1 719 . 1 1 71 71 ARG HG2 H 1 1.6500 . . . . . . . . . . . 5018 1 720 . 1 1 71 71 ARG HD2 H 1 3.2700 . . . . . . . . . . . 5018 1 721 . 1 1 72 72 GLU H H 1 8.3891 . . . . . . . . . . . 5018 1 722 . 1 1 72 72 GLU N N 15 118.6394 . . . . . . . . . . . 5018 1 723 . 1 1 72 72 GLU CA C 13 55.2600 . . . . . . . . . . . 5018 1 724 . 1 1 72 72 GLU CB C 13 29.1800 . . . . . . . . . . . 5018 1 725 . 1 1 72 72 GLU HA H 1 4.3500 . . . . . . . . . . . 5018 1 726 . 1 1 74 74 THR C C 13 175.9800 . . . . . . . . . . . 5018 1 727 . 1 1 74 74 THR CA C 13 61.9300 . . . . . . . . . . . 5018 1 728 . 1 1 74 74 THR CB C 13 69.7700 . . . . . . . . . . . 5018 1 729 . 1 1 74 74 THR CG2 C 13 22.0000 . . . . . . . . . . . 5018 1 730 . 1 1 74 74 THR HA H 1 4.3800 . . . . . . . . . . . 5018 1 731 . 1 1 74 74 THR HG21 H 1 1.8000 . . . . . . . . . . . 5018 1 732 . 1 1 74 74 THR HG22 H 1 1.8000 . . . . . . . . . . . 5018 1 733 . 1 1 74 74 THR HG23 H 1 1.8000 . . . . . . . . . . . 5018 1 734 . 1 1 75 75 LEU H H 1 9.3641 . . . . . . . . . . . 5018 1 735 . 1 1 75 75 LEU N N 15 118.8872 . . . . . . . . . . . 5018 1 736 . 1 1 75 75 LEU C C 13 179.4000 . . . . . . . . . . . 5018 1 737 . 1 1 75 75 LEU CA C 13 57.9100 . . . . . . . . . . . 5018 1 738 . 1 1 75 75 LEU CB C 13 41.1900 . . . . . . . . . . . 5018 1 739 . 1 1 75 75 LEU CD1 C 13 24.0911 . . . . . . . . . . . 5018 1 740 . 1 1 75 75 LEU HA H 1 4.1500 . . . . . . . . . . . 5018 1 741 . 1 1 75 75 LEU HB2 H 1 1.8200 . . . . . . . . . . . 5018 1 742 . 1 1 75 75 LEU HD11 H 1 0.9300 . . . . . . . . . . . 5018 1 743 . 1 1 75 75 LEU HD12 H 1 0.9300 . . . . . . . . . . . 5018 1 744 . 1 1 75 75 LEU HD13 H 1 0.9300 . . . . . . . . . . . 5018 1 745 . 1 1 76 76 GLU H H 1 7.3681 . . . . . . . . . . . 5018 1 746 . 1 1 76 76 GLU N N 15 119.7854 . . . . . . . . . . . 5018 1 747 . 1 1 76 76 GLU C C 13 178.8000 . . . . . . . . . . . 5018 1 748 . 1 1 76 76 GLU CA C 13 59.2800 . . . . . . . . . . . 5018 1 749 . 1 1 76 76 GLU CB C 13 29.3800 . . . . . . . . . . . 5018 1 750 . 1 1 76 76 GLU CG C 13 35.6381 . . . . . . . . . . . 5018 1 751 . 1 1 76 76 GLU HA H 1 4.2500 . . . . . . . . . . . 5018 1 752 . 1 1 76 76 GLU HB2 H 1 2.3000 . . . . . . . . . . . 5018 1 753 . 1 1 76 76 GLU HG2 H 1 2.4700 . . . . . . . . . . . 5018 1 754 . 1 1 77 77 LEU H H 1 7.7896 . . . . . . . . . . . 5018 1 755 . 1 1 77 77 LEU N N 15 120.1094 . . . . . . . . . . . 5018 1 756 . 1 1 77 77 LEU C C 13 179.8700 . . . . . . . . . . . 5018 1 757 . 1 1 77 77 LEU CA C 13 58.0900 . . . . . . . . . . . 5018 1 758 . 1 1 77 77 LEU CB C 13 42.3200 . . . . . . . . . . . 5018 1 759 . 1 1 77 77 LEU CD1 C 13 25.8300 . . . . . . . . . . . 5018 1 760 . 1 1 77 77 LEU HA H 1 4.2800 . . . . . . . . . . . 5018 1 761 . 1 1 77 77 LEU HB2 H 1 2.2500 . . . . . . . . . . . 5018 1 762 . 1 1 77 77 LEU HB3 H 1 1.9600 . . . . . . . . . . . 5018 1 763 . 1 1 77 77 LEU HD11 H 1 1.1700 . . . . . . . . . . . 5018 1 764 . 1 1 77 77 LEU HD12 H 1 1.1700 . . . . . . . . . . . 5018 1 765 . 1 1 77 77 LEU HD13 H 1 1.1700 . . . . . . . . . . . 5018 1 766 . 1 1 78 78 LEU H H 1 8.5491 . . . . . . . . . . . 5018 1 767 . 1 1 78 78 LEU N N 15 116.8693 . . . . . . . . . . . 5018 1 768 . 1 1 78 78 LEU C C 13 179.0600 . . . . . . . . . . . 5018 1 769 . 1 1 78 78 LEU CA C 13 57.7900 . . . . . . . . . . . 5018 1 770 . 1 1 78 78 LEU CB C 13 41.6600 . . . . . . . . . . . 5018 1 771 . 1 1 78 78 LEU CG C 13 27.0861 . . . . . . . . . . . 5018 1 772 . 1 1 78 78 LEU CD1 C 13 27.3500 . . . . . . . . . . . 5018 1 773 . 1 1 78 78 LEU CD2 C 13 23.7222 . . . . . . . . . . . 5018 1 774 . 1 1 78 78 LEU HA H 1 4.0200 . . . . . . . . . . . 5018 1 775 . 1 1 78 78 LEU HB2 H 1 1.9000 . . . . . . . . . . . 5018 1 776 . 1 1 78 78 LEU HB3 H 1 1.4000 . . . . . . . . . . . 5018 1 777 . 1 1 78 78 LEU HG H 1 2.1000 . . . . . . . . . . . 5018 1 778 . 1 1 78 78 LEU HD11 H 1 0.9200 . . . . . . . . . . . 5018 1 779 . 1 1 78 78 LEU HD12 H 1 0.9200 . . . . . . . . . . . 5018 1 780 . 1 1 78 78 LEU HD13 H 1 0.9200 . . . . . . . . . . . 5018 1 781 . 1 1 78 78 LEU HD21 H 1 0.4300 . . . . . . . . . . . 5018 1 782 . 1 1 78 78 LEU HD22 H 1 0.4300 . . . . . . . . . . . 5018 1 783 . 1 1 78 78 LEU HD23 H 1 0.4300 . . . . . . . . . . . 5018 1 784 . 1 1 79 79 GLY H H 1 8.5083 . . . . . . . . . . . 5018 1 785 . 1 1 79 79 GLY N N 15 106.4084 . . . . . . . . . . . 5018 1 786 . 1 1 79 79 GLY C C 13 175.3300 . . . . . . . . . . . 5018 1 787 . 1 1 79 79 GLY CA C 13 47.8700 . . . . . . . . . . . 5018 1 788 . 1 1 79 79 GLY HA2 H 1 4.0900 . . . . . . . . . . . 5018 1 789 . 1 1 79 79 GLY HA3 H 1 3.8400 . . . . . . . . . . . 5018 1 790 . 1 1 80 80 ARG H H 1 7.4748 . . . . . . . . . . . 5018 1 791 . 1 1 80 80 ARG N N 15 121.2626 . . . . . . . . . . . 5018 1 792 . 1 1 80 80 ARG C C 13 178.1100 . . . . . . . . . . . 5018 1 793 . 1 1 80 80 ARG CA C 13 59.5406 . . . . . . . . . . . 5018 1 794 . 1 1 80 80 ARG CB C 13 30.1658 . . . . . . . . . . . 5018 1 795 . 1 1 80 80 ARG CG C 13 27.4066 . . . . . . . . . . . 5018 1 796 . 1 1 80 80 ARG CD C 13 43.8488 . . . . . . . . . . . 5018 1 797 . 1 1 80 80 ARG HA H 1 4.1200 . . . . . . . . . . . 5018 1 798 . 1 1 80 80 ARG HB2 H 1 2.1300 . . . . . . . . . . . 5018 1 799 . 1 1 80 80 ARG HG2 H 1 1.8600 . . . . . . . . . . . 5018 1 800 . 1 1 80 80 ARG HD2 H 1 3.3600 . . . . . . . . . . . 5018 1 801 . 1 1 81 81 VAL H H 1 7.2250 . . . . . . . . . . . 5018 1 802 . 1 1 81 81 VAL N N 15 119.0111 . . . . . . . . . . . 5018 1 803 . 1 1 81 81 VAL C C 13 178.0900 . . . . . . . . . . . 5018 1 804 . 1 1 81 81 VAL CA C 13 66.3300 . . . . . . . . . . . 5018 1 805 . 1 1 81 81 VAL CB C 13 31.9900 . . . . . . . . . . . 5018 1 806 . 1 1 81 81 VAL CG1 C 13 22.9160 . . . . . . . . . . . 5018 1 807 . 1 1 81 81 VAL CG2 C 13 22.3289 . . . . . . . . . . . 5018 1 808 . 1 1 81 81 VAL HA H 1 3.8300 . . . . . . . . . . . 5018 1 809 . 1 1 81 81 VAL HB H 1 2.1300 . . . . . . . . . . . 5018 1 810 . 1 1 81 81 VAL HG11 H 1 0.9700 . . . . . . . . . . . 5018 1 811 . 1 1 81 81 VAL HG12 H 1 0.9700 . . . . . . . . . . . 5018 1 812 . 1 1 81 81 VAL HG13 H 1 0.9700 . . . . . . . . . . . 5018 1 813 . 1 1 81 81 VAL HG21 H 1 0.9700 . . . . . . . . . . . 5018 1 814 . 1 1 81 81 VAL HG22 H 1 0.9700 . . . . . . . . . . . 5018 1 815 . 1 1 81 81 VAL HG23 H 1 0.9700 . . . . . . . . . . . 5018 1 816 . 1 1 82 82 LEU H H 1 8.4645 . . . . . . . . . . . 5018 1 817 . 1 1 82 82 LEU N N 15 118.0115 . . . . . . . . . . . 5018 1 818 . 1 1 82 82 LEU C C 13 179.8100 . . . . . . . . . . . 5018 1 819 . 1 1 82 82 LEU CA C 13 58.3400 . . . . . . . . . . . 5018 1 820 . 1 1 82 82 LEU CB C 13 40.6500 . . . . . . . . . . . 5018 1 821 . 1 1 82 82 LEU CG C 13 26.5035 . . . . . . . . . . . 5018 1 822 . 1 1 82 82 LEU CD1 C 13 26.5700 . . . . . . . . . . . 5018 1 823 . 1 1 82 82 LEU CD2 C 13 23.3334 . . . . . . . . . . . 5018 1 824 . 1 1 82 82 LEU HA H 1 4.1000 . . . . . . . . . . . 5018 1 825 . 1 1 82 82 LEU HB2 H 1 1.9300 . . . . . . . . . . . 5018 1 826 . 1 1 82 82 LEU HB3 H 1 1.4100 . . . . . . . . . . . 5018 1 827 . 1 1 82 82 LEU HD11 H 1 0.7300 . . . . . . . . . . . 5018 1 828 . 1 1 82 82 LEU HD12 H 1 0.7300 . . . . . . . . . . . 5018 1 829 . 1 1 82 82 LEU HD13 H 1 0.7300 . . . . . . . . . . . 5018 1 830 . 1 1 82 82 LEU HD21 H 1 0.7300 . . . . . . . . . . . 5018 1 831 . 1 1 82 82 LEU HD22 H 1 0.7300 . . . . . . . . . . . 5018 1 832 . 1 1 82 82 LEU HD23 H 1 0.7300 . . . . . . . . . . . 5018 1 833 . 1 1 83 83 ARG H H 1 8.3448 . . . . . . . . . . . 5018 1 834 . 1 1 83 83 ARG N N 15 120.0984 . . . . . . . . . . . 5018 1 835 . 1 1 83 83 ARG C C 13 180.3700 . . . . . . . . . . . 5018 1 836 . 1 1 83 83 ARG CA C 13 60.4900 . . . . . . . . . . . 5018 1 837 . 1 1 83 83 ARG CB C 13 29.9000 . . . . . . . . . . . 5018 1 838 . 1 1 83 83 ARG CG C 13 19.6412 . . . . . . . . . . . 5018 1 839 . 1 1 83 83 ARG CD C 13 43.4509 . . . . . . . . . . . 5018 1 840 . 1 1 83 83 ARG HA H 1 4.0400 . . . . . . . . . . . 5018 1 841 . 1 1 83 83 ARG HB2 H 1 2.0700 . . . . . . . . . . . 5018 1 842 . 1 1 83 83 ARG HB3 H 1 1.9500 . . . . . . . . . . . 5018 1 843 . 1 1 83 83 ARG HG2 H 1 1.6400 . . . . . . . . . . . 5018 1 844 . 1 1 83 83 ARG HD2 H 1 3.3200 . . . . . . . . . . . 5018 1 845 . 1 1 84 84 ASP H H 1 8.2402 . . . . . . . . . . . 5018 1 846 . 1 1 84 84 ASP N N 15 123.2672 . . . . . . . . . . . 5018 1 847 . 1 1 84 84 ASP C C 13 177.6800 . . . . . . . . . . . 5018 1 848 . 1 1 84 84 ASP CA C 13 57.2320 . . . . . . . . . . . 5018 1 849 . 1 1 84 84 ASP CB C 13 40.0200 . . . . . . . . . . . 5018 1 850 . 1 1 84 84 ASP HA H 1 4.5500 . . . . . . . . . . . 5018 1 851 . 1 1 84 84 ASP HB2 H 1 3.1300 . . . . . . . . . . . 5018 1 852 . 1 1 84 84 ASP HB3 H 1 2.7800 . . . . . . . . . . . 5018 1 853 . 1 1 85 85 MET H H 1 7.7490 . . . . . . . . . . . 5018 1 854 . 1 1 85 85 MET N N 15 116.7250 . . . . . . . . . . . 5018 1 855 . 1 1 85 85 MET C C 13 174.5800 . . . . . . . . . . . 5018 1 856 . 1 1 85 85 MET CA C 13 56.5800 . . . . . . . . . . . 5018 1 857 . 1 1 85 85 MET CB C 13 34.9700 . . . . . . . . . . . 5018 1 858 . 1 1 85 85 MET CG C 13 32.2431 . . . . . . . . . . . 5018 1 859 . 1 1 85 85 MET CE C 13 16.7400 . . . . . . . . . . . 5018 1 860 . 1 1 85 85 MET HA H 1 4.2700 . . . . . . . . . . . 5018 1 861 . 1 1 85 85 MET HB2 H 1 2.5500 . . . . . . . . . . . 5018 1 862 . 1 1 85 85 MET HB3 H 1 1.9300 . . . . . . . . . . . 5018 1 863 . 1 1 85 85 MET HG2 H 1 2.8300 . . . . . . . . . . . 5018 1 864 . 1 1 85 85 MET HE1 H 1 2.1600 . . . . . . . . . . . 5018 1 865 . 1 1 85 85 MET HE2 H 1 2.1600 . . . . . . . . . . . 5018 1 866 . 1 1 85 85 MET HE3 H 1 2.1600 . . . . . . . . . . . 5018 1 867 . 1 1 86 86 ASP H H 1 8.2662 . . . . . . . . . . . 5018 1 868 . 1 1 86 86 ASP N N 15 116.8838 . . . . . . . . . . . 5018 1 869 . 1 1 86 86 ASP C C 13 175.5200 . . . . . . . . . . . 5018 1 870 . 1 1 86 86 ASP CA C 13 55.0400 . . . . . . . . . . . 5018 1 871 . 1 1 86 86 ASP CB C 13 38.4900 . . . . . . . . . . . 5018 1 872 . 1 1 86 86 ASP HA H 1 4.5500 . . . . . . . . . . . 5018 1 873 . 1 1 86 86 ASP HB2 H 1 3.4600 . . . . . . . . . . . 5018 1 874 . 1 1 86 86 ASP HB3 H 1 2.8300 . . . . . . . . . . . 5018 1 875 . 1 1 87 87 LEU H H 1 8.3766 . . . . . . . . . . . 5018 1 876 . 1 1 87 87 LEU N N 15 120.1850 . . . . . . . . . . . 5018 1 877 . 1 1 87 87 LEU C C 13 175.1200 . . . . . . . . . . . 5018 1 878 . 1 1 87 87 LEU CA C 13 52.7600 . . . . . . . . . . . 5018 1 879 . 1 1 87 87 LEU CB C 13 42.2500 . . . . . . . . . . . 5018 1 880 . 1 1 87 87 LEU CG C 13 26.3275 . . . . . . . . . . . 5018 1 881 . 1 1 87 87 LEU CD1 C 13 23.3287 . . . . . . . . . . . 5018 1 882 . 1 1 87 87 LEU HA H 1 5.0600 . . . . . . . . . . . 5018 1 883 . 1 1 87 87 LEU HB2 H 1 1.8500 . . . . . . . . . . . 5018 1 884 . 1 1 87 87 LEU HB3 H 1 1.7400 . . . . . . . . . . . 5018 1 885 . 1 1 87 87 LEU HG H 1 2.8100 . . . . . . . . . . . 5018 1 886 . 1 1 87 87 LEU HD11 H 1 1.0500 . . . . . . . . . . . 5018 1 887 . 1 1 87 87 LEU HD12 H 1 1.0500 . . . . . . . . . . . 5018 1 888 . 1 1 87 87 LEU HD13 H 1 1.0500 . . . . . . . . . . . 5018 1 889 . 1 1 88 88 LEU H H 1 8.2524 . . . . . . . . . . . 5018 1 890 . 1 1 88 88 LEU N N 15 121.5818 . . . . . . . . . . . 5018 1 891 . 1 1 88 88 LEU C C 13 179.5300 . . . . . . . . . . . 5018 1 892 . 1 1 88 88 LEU CA C 13 58.3400 . . . . . . . . . . . 5018 1 893 . 1 1 88 88 LEU CB C 13 41.3500 . . . . . . . . . . . 5018 1 894 . 1 1 88 88 LEU CG C 13 27.4637 . . . . . . . . . . . 5018 1 895 . 1 1 88 88 LEU CD1 C 13 24.3712 . . . . . . . . . . . 5018 1 896 . 1 1 88 88 LEU HA H 1 4.0100 . . . . . . . . . . . 5018 1 897 . 1 1 88 88 LEU HB2 H 1 1.8000 . . . . . . . . . . . 5018 1 898 . 1 1 88 88 LEU HB3 H 1 1.7200 . . . . . . . . . . . 5018 1 899 . 1 1 88 88 LEU HD11 H 1 1.0200 . . . . . . . . . . . 5018 1 900 . 1 1 88 88 LEU HD12 H 1 1.0200 . . . . . . . . . . . 5018 1 901 . 1 1 88 88 LEU HD13 H 1 1.0200 . . . . . . . . . . . 5018 1 902 . 1 1 89 89 GLY H H 1 8.8300 . . . . . . . . . . . 5018 1 903 . 1 1 89 89 GLY N N 15 108.1024 . . . . . . . . . . . 5018 1 904 . 1 1 89 89 GLY C C 13 175.8600 . . . . . . . . . . . 5018 1 905 . 1 1 89 89 GLY CA C 13 47.0200 . . . . . . . . . . . 5018 1 906 . 1 1 89 89 GLY HA2 H 1 3.9200 . . . . . . . . . . . 5018 1 907 . 1 1 90 90 CYS H H 1 7.5158 . . . . . . . . . . . 5018 1 908 . 1 1 90 90 CYS N N 15 120.6426 . . . . . . . . . . . 5018 1 909 . 1 1 90 90 CYS C C 13 176.3700 . . . . . . . . . . . 5018 1 910 . 1 1 90 90 CYS CA C 13 61.7351 . . . . . . . . . . . 5018 1 911 . 1 1 90 90 CYS CB C 13 27.1327 . . . . . . . . . . . 5018 1 912 . 1 1 90 90 CYS HA H 1 4.3900 . . . . . . . . . . . 5018 1 913 . 1 1 90 90 CYS HB2 H 1 3.1700 . . . . . . . . . . . 5018 1 914 . 1 1 91 91 LEU H H 1 7.6850 . . . . . . . . . . . 5018 1 915 . 1 1 91 91 LEU N N 15 119.7352 . . . . . . . . . . . 5018 1 916 . 1 1 91 91 LEU C C 13 177.9400 . . . . . . . . . . . 5018 1 917 . 1 1 91 91 LEU CA C 13 58.0500 . . . . . . . . . . . 5018 1 918 . 1 1 91 91 LEU CB C 13 41.3600 . . . . . . . . . . . 5018 1 919 . 1 1 91 91 LEU CG C 13 25.9222 . . . . . . . . . . . 5018 1 920 . 1 1 91 91 LEU CD1 C 13 26.1000 . . . . . . . . . . . 5018 1 921 . 1 1 91 91 LEU HA H 1 4.1100 . . . . . . . . . . . 5018 1 922 . 1 1 91 91 LEU HB2 H 1 2.3000 . . . . . . . . . . . 5018 1 923 . 1 1 91 91 LEU HB3 H 1 1.4700 . . . . . . . . . . . 5018 1 924 . 1 1 91 91 LEU HD11 H 1 1.0400 . . . . . . . . . . . 5018 1 925 . 1 1 91 91 LEU HD12 H 1 1.0400 . . . . . . . . . . . 5018 1 926 . 1 1 91 91 LEU HD13 H 1 1.0400 . . . . . . . . . . . 5018 1 927 . 1 1 92 92 GLU H H 1 8.1323 . . . . . . . . . . . 5018 1 928 . 1 1 92 92 GLU N N 15 118.7285 . . . . . . . . . . . 5018 1 929 . 1 1 92 92 GLU C C 13 178.3800 . . . . . . . . . . . 5018 1 930 . 1 1 92 92 GLU CA C 13 59.3100 . . . . . . . . . . . 5018 1 931 . 1 1 92 92 GLU CB C 13 28.1100 . . . . . . . . . . . 5018 1 932 . 1 1 92 92 GLU CG C 13 34.7696 . . . . . . . . . . . 5018 1 933 . 1 1 92 92 GLU HA H 1 4.1400 . . . . . . . . . . . 5018 1 934 . 1 1 92 92 GLU HB2 H 1 2.3200 . . . . . . . . . . . 5018 1 935 . 1 1 92 92 GLU HB3 H 1 2.2200 . . . . . . . . . . . 5018 1 936 . 1 1 92 92 GLU HG2 H 1 2.5500 . . . . . . . . . . . 5018 1 937 . 1 1 93 93 ASP H H 1 8.0344 . . . . . . . . . . . 5018 1 938 . 1 1 93 93 ASP N N 15 120.3088 . . . . . . . . . . . 5018 1 939 . 1 1 93 93 ASP C C 13 178.8100 . . . . . . . . . . . 5018 1 940 . 1 1 93 93 ASP CA C 13 59.3200 . . . . . . . . . . . 5018 1 941 . 1 1 93 93 ASP CB C 13 39.0954 . . . . . . . . . . . 5018 1 942 . 1 1 93 93 ASP HA H 1 4.5200 . . . . . . . . . . . 5018 1 943 . 1 1 93 93 ASP HB2 H 1 3.0700 . . . . . . . . . . . 5018 1 944 . 1 1 93 93 ASP HB3 H 1 2.8200 . . . . . . . . . . . 5018 1 945 . 1 1 94 94 ILE H H 1 8.3838 . . . . . . . . . . . 5018 1 946 . 1 1 94 94 ILE N N 15 122.7649 . . . . . . . . . . . 5018 1 947 . 1 1 94 94 ILE C C 13 176.9500 . . . . . . . . . . . 5018 1 948 . 1 1 94 94 ILE CA C 13 66.0400 . . . . . . . . . . . 5018 1 949 . 1 1 94 94 ILE CB C 13 38.5600 . . . . . . . . . . . 5018 1 950 . 1 1 94 94 ILE CG2 C 13 17.4396 . . . . . . . . . . . 5018 1 951 . 1 1 94 94 ILE CD1 C 13 15.2183 . . . . . . . . . . . 5018 1 952 . 1 1 94 94 ILE HA H 1 3.5500 . . . . . . . . . . . 5018 1 953 . 1 1 94 94 ILE HB H 1 2.1300 . . . . . . . . . . . 5018 1 954 . 1 1 94 94 ILE HG21 H 1 0.9200 . . . . . . . . . . . 5018 1 955 . 1 1 94 94 ILE HG22 H 1 0.9200 . . . . . . . . . . . 5018 1 956 . 1 1 94 94 ILE HG23 H 1 0.9200 . . . . . . . . . . . 5018 1 957 . 1 1 94 94 ILE HD11 H 1 0.8800 . . . . . . . . . . . 5018 1 958 . 1 1 94 94 ILE HD12 H 1 0.8800 . . . . . . . . . . . 5018 1 959 . 1 1 94 94 ILE HD13 H 1 0.8800 . . . . . . . . . . . 5018 1 960 . 1 1 95 95 GLU H H 1 8.4974 . . . . . . . . . . . 5018 1 961 . 1 1 95 95 GLU N N 15 117.5231 . . . . . . . . . . . 5018 1 962 . 1 1 95 95 GLU C C 13 179.1900 . . . . . . . . . . . 5018 1 963 . 1 1 95 95 GLU CA C 13 59.8000 . . . . . . . . . . . 5018 1 964 . 1 1 95 95 GLU CB C 13 28.1300 . . . . . . . . . . . 5018 1 965 . 1 1 95 95 GLU CG C 13 34.4760 . . . . . . . . . . . 5018 1 966 . 1 1 95 95 GLU HA H 1 3.9700 . . . . . . . . . . . 5018 1 967 . 1 1 95 95 GLU HB2 H 1 2.3500 . . . . . . . . . . . 5018 1 968 . 1 1 95 95 GLU HB3 H 1 2.1700 . . . . . . . . . . . 5018 1 969 . 1 1 95 95 GLU HG2 H 1 2.7200 . . . . . . . . . . . 5018 1 970 . 1 1 95 95 GLU HG3 H 1 2.3800 . . . . . . . . . . . 5018 1 971 . 1 1 96 96 GLU H H 1 8.4402 . . . . . . . . . . . 5018 1 972 . 1 1 96 96 GLU N N 15 118.7636 . . . . . . . . . . . 5018 1 973 . 1 1 96 96 GLU C C 13 178.5300 . . . . . . . . . . . 5018 1 974 . 1 1 96 96 GLU CA C 13 58.8300 . . . . . . . . . . . 5018 1 975 . 1 1 96 96 GLU CB C 13 28.6600 . . . . . . . . . . . 5018 1 976 . 1 1 96 96 GLU CG C 13 34.8400 . . . . . . . . . . . 5018 1 977 . 1 1 96 96 GLU HA H 1 4.2000 . . . . . . . . . . . 5018 1 978 . 1 1 96 96 GLU HB2 H 1 2.2500 . . . . . . . . . . . 5018 1 979 . 1 1 96 96 GLU HG2 H 1 2.6700 . . . . . . . . . . . 5018 1 980 . 1 1 96 96 GLU HG3 H 1 2.5200 . . . . . . . . . . . 5018 1 981 . 1 1 97 97 ALA H H 1 7.9269 . . . . . . . . . . . 5018 1 982 . 1 1 97 97 ALA N N 15 122.1008 . . . . . . . . . . . 5018 1 983 . 1 1 97 97 ALA C C 13 179.4100 . . . . . . . . . . . 5018 1 984 . 1 1 97 97 ALA CA C 13 54.3500 . . . . . . . . . . . 5018 1 985 . 1 1 97 97 ALA CB C 13 18.3300 . . . . . . . . . . . 5018 1 986 . 1 1 97 97 ALA HA H 1 4.2800 . . . . . . . . . . . 5018 1 987 . 1 1 97 97 ALA HB1 H 1 1.6700 . . . . . . . . . . . 5018 1 988 . 1 1 97 97 ALA HB2 H 1 1.6700 . . . . . . . . . . . 5018 1 989 . 1 1 97 97 ALA HB3 H 1 1.6700 . . . . . . . . . . . 5018 1 990 . 1 1 98 98 LEU H H 1 7.7215 . . . . . . . . . . . 5018 1 991 . 1 1 98 98 LEU N N 15 116.5207 . . . . . . . . . . . 5018 1 992 . 1 1 98 98 LEU C C 13 177.9600 . . . . . . . . . . . 5018 1 993 . 1 1 98 98 LEU CA C 13 55.7300 . . . . . . . . . . . 5018 1 994 . 1 1 98 98 LEU CB C 13 42.9400 . . . . . . . . . . . 5018 1 995 . 1 1 98 98 LEU CG C 13 26.6243 . . . . . . . . . . . 5018 1 996 . 1 1 98 98 LEU CD1 C 13 22.6430 . . . . . . . . . . . 5018 1 997 . 1 1 98 98 LEU HA H 1 4.4600 . . . . . . . . . . . 5018 1 998 . 1 1 98 98 LEU HB2 H 1 1.9300 . . . . . . . . . . . 5018 1 999 . 1 1 98 98 LEU HB3 H 1 1.7600 . . . . . . . . . . . 5018 1 1000 . 1 1 98 98 LEU HD11 H 1 0.9900 . . . . . . . . . . . 5018 1 1001 . 1 1 98 98 LEU HD12 H 1 0.9900 . . . . . . . . . . . 5018 1 1002 . 1 1 98 98 LEU HD13 H 1 0.9900 . . . . . . . . . . . 5018 1 1003 . 1 1 99 99 CYS H H 1 8.0401 . . . . . . . . . . . 5018 1 1004 . 1 1 99 99 CYS N N 15 116.8404 . . . . . . . . . . . 5018 1 1005 . 1 1 99 99 CYS C C 13 175.0500 . . . . . . . . . . . 5018 1 1006 . 1 1 99 99 CYS CA C 13 59.4300 . . . . . . . . . . . 5018 1 1007 . 1 1 99 99 CYS CB C 13 28.4900 . . . . . . . . . . . 5018 1 1008 . 1 1 99 99 CYS HA H 1 4.6000 . . . . . . . . . . . 5018 1 1009 . 1 1 99 99 CYS HB2 H 1 3.1100 . . . . . . . . . . . 5018 1 1010 . 1 1 100 100 GLY H H 1 8.1121 . . . . . . . . . . . 5018 1 1011 . 1 1 100 100 GLY N N 15 110.2338 . . . . . . . . . . . 5018 1 1012 . 1 1 100 100 GLY CA C 13 44.9800 . . . . . . . . . . . 5018 1 1013 . 1 1 100 100 GLY HA2 H 1 4.2500 . . . . . . . . . . . 5018 1 1014 . 1 1 101 101 PRO CA C 13 63.7000 . . . . . . . . . . . 5018 1 1015 . 1 1 101 101 PRO CB C 13 32.0500 . . . . . . . . . . . 5018 1 1016 . 1 1 101 101 PRO CG C 13 27.3000 . . . . . . . . . . . 5018 1 1017 . 1 1 101 101 PRO CD C 13 50.0800 . . . . . . . . . . . 5018 1 1018 . 1 1 101 101 PRO HA H 1 4.4900 . . . . . . . . . . . 5018 1 1019 . 1 1 101 101 PRO HB2 H 1 2.3900 . . . . . . . . . . . 5018 1 1020 . 1 1 101 101 PRO HB3 H 1 2.1000 . . . . . . . . . . . 5018 1 1021 . 1 1 101 101 PRO HD2 H 1 3.7800 . . . . . . . . . . . 5018 1 1022 . 1 1 102 102 ALA H H 1 8.2911 . . . . . . . . . . . 5018 1 1023 . 1 1 102 102 ALA N N 15 123.2056 . . . . . . . . . . . 5018 1 1024 . 1 1 102 102 ALA C C 13 177.2800 . . . . . . . . . . . 5018 1 1025 . 1 1 102 102 ALA CA C 13 52.2300 . . . . . . . . . . . 5018 1 1026 . 1 1 102 102 ALA CB C 13 19.2200 . . . . . . . . . . . 5018 1 1027 . 1 1 102 102 ALA HA H 1 4.4200 . . . . . . . . . . . 5018 1 1028 . 1 1 102 102 ALA HB1 H 1 1.4900 . . . . . . . . . . . 5018 1 1029 . 1 1 102 102 ALA HB2 H 1 1.4900 . . . . . . . . . . . 5018 1 1030 . 1 1 102 102 ALA HB3 H 1 1.4900 . . . . . . . . . . . 5018 1 1031 . 1 1 103 103 ALA H H 1 8.0751 . . . . . . . . . . . 5018 1 1032 . 1 1 103 103 ALA N N 15 122.4285 . . . . . . . . . . . 5018 1 1033 . 1 1 103 103 ALA C C 13 177.2900 . . . . . . . . . . . 5018 1 1034 . 1 1 103 103 ALA CA C 13 52.3100 . . . . . . . . . . . 5018 1 1035 . 1 1 103 103 ALA CB C 13 19.3600 . . . . . . . . . . . 5018 1 1036 . 1 1 103 103 ALA HA H 1 4.4100 . . . . . . . . . . . 5018 1 1037 . 1 1 103 103 ALA HB1 H 1 1.4800 . . . . . . . . . . . 5018 1 1038 . 1 1 103 103 ALA HB2 H 1 1.4800 . . . . . . . . . . . 5018 1 1039 . 1 1 103 103 ALA HB3 H 1 1.4800 . . . . . . . . . . . 5018 1 1040 . 1 1 104 104 LEU H H 1 8.0161 . . . . . . . . . . . 5018 1 1041 . 1 1 104 104 LEU N N 15 122.2454 . . . . . . . . . . . 5018 1 1042 . 1 1 104 104 LEU CA C 13 52.6900 . . . . . . . . . . . 5018 1 1043 . 1 1 104 104 LEU CB C 13 42.0000 . . . . . . . . . . . 5018 1 1044 . 1 1 106 106 PRO CA C 13 62.7600 . . . . . . . . . . . 5018 1 1045 . 1 1 106 106 PRO CB C 13 31.9700 . . . . . . . . . . . 5018 1 1046 . 1 1 106 106 PRO CG C 13 27.5100 . . . . . . . . . . . 5018 1 1047 . 1 1 106 106 PRO HA H 1 4.5400 . . . . . . . . . . . 5018 1 1048 . 1 1 106 106 PRO HB2 H 1 2.1300 . . . . . . . . . . . 5018 1 1049 . 1 1 106 106 PRO HB3 H 1 2.0100 . . . . . . . . . . . 5018 1 1050 . 1 1 106 106 PRO HD2 H 1 2.3600 . . . . . . . . . . . 5018 1 1051 . 1 1 107 107 ALA H H 1 8.3589 . . . . . . . . . . . 5018 1 1052 . 1 1 107 107 ALA N N 15 125.7747 . . . . . . . . . . . 5018 1 1053 . 1 1 107 107 ALA CA C 13 50.6100 . . . . . . . . . . . 5018 1 1054 . 1 1 107 107 ALA CB C 13 18.3000 . . . . . . . . . . . 5018 1 1055 . 1 1 108 108 PRO C C 13 177.0000 . . . . . . . . . . . 5018 1 1056 . 1 1 108 108 PRO CA C 13 64.0200 . . . . . . . . . . . 5018 1 1057 . 1 1 108 108 PRO CB C 13 31.9800 . . . . . . . . . . . 5018 1 1058 . 1 1 108 108 PRO CG C 13 27.4900 . . . . . . . . . . . 5018 1 1059 . 1 1 108 108 PRO CD C 13 50.4800 . . . . . . . . . . . 5018 1 1060 . 1 1 108 108 PRO HA H 1 4.4700 . . . . . . . . . . . 5018 1 1061 . 1 1 108 108 PRO HB2 H 1 2.1300 . . . . . . . . . . . 5018 1 1062 . 1 1 108 108 PRO HB3 H 1 2.0300 . . . . . . . . . . . 5018 1 1063 . 1 1 108 108 PRO HG2 H 1 2.4200 . . . . . . . . . . . 5018 1 1064 . 1 1 108 108 PRO HD2 H 1 3.8500 . . . . . . . . . . . 5018 1 1065 . 1 1 108 108 PRO HD3 H 1 3.7700 . . . . . . . . . . . 5018 1 1066 . 1 1 109 109 SER H H 1 8.2765 . . . . . . . . . . . 5018 1 1067 . 1 1 109 109 SER N N 15 114.3577 . . . . . . . . . . . 5018 1 1068 . 1 1 109 109 SER C C 13 175.1500 . . . . . . . . . . . 5018 1 1069 . 1 1 109 109 SER CA C 13 59.0200 . . . . . . . . . . . 5018 1 1070 . 1 1 109 109 SER CB C 13 63.2700 . . . . . . . . . . . 5018 1 1071 . 1 1 109 109 SER HA H 1 4.4300 . . . . . . . . . . . 5018 1 1072 . 1 1 109 109 SER HB2 H 1 3.9900 . . . . . . . . . . . 5018 1 1073 . 1 1 110 110 LEU H H 1 8.1566 . . . . . . . . . . . 5018 1 1074 . 1 1 110 110 LEU N N 15 123.5322 . . . . . . . . . . . 5018 1 1075 . 1 1 110 110 LEU C C 13 177.4500 . . . . . . . . . . . 5018 1 1076 . 1 1 110 110 LEU CA C 13 55.7900 . . . . . . . . . . . 5018 1 1077 . 1 1 110 110 LEU CB C 13 42.2400 . . . . . . . . . . . 5018 1 1078 . 1 1 110 110 LEU CG C 13 27.1187 . . . . . . . . . . . 5018 1 1079 . 1 1 110 110 LEU CD1 C 13 25.0360 . . . . . . . . . . . 5018 1 1080 . 1 1 110 110 LEU CD2 C 13 23.6081 . . . . . . . . . . . 5018 1 1081 . 1 1 110 110 LEU HA H 1 4.4000 . . . . . . . . . . . 5018 1 1082 . 1 1 110 110 LEU HB2 H 1 1.7400 . . . . . . . . . . . 5018 1 1083 . 1 1 110 110 LEU HD11 H 1 0.9900 . . . . . . . . . . . 5018 1 1084 . 1 1 110 110 LEU HD12 H 1 0.9900 . . . . . . . . . . . 5018 1 1085 . 1 1 110 110 LEU HD13 H 1 0.9900 . . . . . . . . . . . 5018 1 1086 . 1 1 111 111 LEU H H 1 7.9433 . . . . . . . . . . . 5018 1 1087 . 1 1 111 111 LEU N N 15 121.1357 . . . . . . . . . . . 5018 1 1088 . 1 1 111 111 LEU C C 13 177.3500 . . . . . . . . . . . 5018 1 1089 . 1 1 111 111 LEU CA C 13 55.5000 . . . . . . . . . . . 5018 1 1090 . 1 1 111 111 LEU CB C 13 42.1900 . . . . . . . . . . . 5018 1 1091 . 1 1 111 111 LEU CG C 13 27.0405 . . . . . . . . . . . 5018 1 1092 . 1 1 111 111 LEU CD1 C 13 25.0187 . . . . . . . . . . . 5018 1 1093 . 1 1 111 111 LEU CD2 C 13 23.4911 . . . . . . . . . . . 5018 1 1094 . 1 1 111 111 LEU HA H 1 4.3600 . . . . . . . . . . . 5018 1 1095 . 1 1 111 111 LEU HB2 H 1 1.6800 . . . . . . . . . . . 5018 1 1096 . 1 1 111 111 LEU HD11 H 1 0.9700 . . . . . . . . . . . 5018 1 1097 . 1 1 111 111 LEU HD12 H 1 0.9700 . . . . . . . . . . . 5018 1 1098 . 1 1 111 111 LEU HD13 H 1 0.9700 . . . . . . . . . . . 5018 1 1099 . 1 1 112 112 ARG H H 1 8.0834 . . . . . . . . . . . 5018 1 1100 . 1 1 112 112 ARG N N 15 120.3632 . . . . . . . . . . . 5018 1 1101 . 1 1 112 112 ARG CA C 13 56.2100 . . . . . . . . . . . 5018 1 1102 . 1 1 112 112 ARG CB C 13 30.6800 . . . . . . . . . . . 5018 1 stop_ save_