data_16884 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16884 _Entry.Title ; 1H, 13C and 15N Chemical Shift assignments for RRM3 of Brunol-3. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-20 _Entry.Accession_date 2010-04-20 _Entry.Last_release_date 2011-12-15 _Entry.Original_release_date 2011-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Maruthi Kashyap . P. . 16884 2 Harshesh Bhatt . P. . 16884 3 'Neel Sarovar' Bhavesh . . . 16884 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural and Computational Biology Group, International Center for Genetic Engineering and Biotechnology' . 16884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 16884 '15N chemical shifts' 107 16884 '1H chemical shifts' 562 16884 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 . . 2011-12-15 2010-04-20 original author . 16884 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16884 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20443086 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N NMR assignments of RNA recognizing motifs 1 and 2 of BRUNOL-3 protein from human involved in myotonic dystrophy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 143 _Citation.Page_last 145 _Citation.Year 2010 _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 Maruthi Kashyap . P. . 16884 1 2 Harshesh Bhatt . P. . 16884 1 3 'Neel Sarovar' Bhavesh . . . 16884 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BRUNOL-3 16884 1 CUGBP2 16884 1 RRM 16884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16884 _Assembly.ID 1 _Assembly.Name 'RRM3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10917.5 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM3 1 $RRM3 A . yes native no no . . . 16884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM3 _Entity.Sf_category entity _Entity.Sf_framecode RRM3 _Entity.Entry_ID 16884 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM3 _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 ; GSHMQKEGPEGANLFIYHLP QEFGDQDILQMFMPFGNVIS AKVFIDKQTNLSKCFGFVSY DNPVSAQAAIQAMNGFQIGM KRLKVQLKRSKNDSKPY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19685 . entity . . . . . 100.00 97 100.00 100.00 3.73e-64 . . . . 16884 1 2 no PDB 2MY7 . "Nmr Structure Of Unfolding Intermediate State Of Rrm-3 Domain Of Etr-3" . . . . . 98.97 97 100.00 100.00 5.83e-63 . . . . 16884 1 3 no PDB 2MY8 . "Nmr Structure Of Rrm-3 Domain Of Etr-3" . . . . . 98.97 97 100.00 100.00 5.83e-63 . . . . 16884 1 4 no PDB 4LJM . "Crystal Structure Of C-terminal Rna Recognition Motif Of Human Etr3" . . . . . 100.00 97 100.00 100.00 3.73e-64 . . . . 16884 1 5 no DBJ BAE36341 . "unnamed protein product [Mus musculus]" . . . . . 95.88 238 100.00 100.00 7.26e-63 . . . . 16884 1 6 no DBJ BAG58428 . "unnamed protein product [Homo sapiens]" . . . . . 95.88 403 100.00 100.00 6.02e-60 . . . . 16884 1 7 no DBJ BAG59778 . "unnamed protein product [Homo sapiens]" . . . . . 95.88 314 100.00 100.00 1.42e-61 . . . . 16884 1 8 no DBJ BAG63913 . "unnamed protein product [Homo sapiens]" . . . . . 95.88 280 100.00 100.00 1.92e-62 . . . . 16884 1 9 no EMBL CAF96701 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 82.47 795 98.75 100.00 4.58e-47 . . . . 16884 1 10 no EMBL CDQ91280 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 95.88 325 97.85 100.00 5.33e-61 . . . . 16884 1 11 no GB AAF89096 . "RNA binding protein NAPOR-3, partial [Rattus norvegicus]" . . . . . 95.88 226 100.00 100.00 4.89e-62 . . . . 16884 1 12 no GB AAH45035 . "Cugbp2-A-prov protein [Xenopus laevis]" . . . . . 95.88 536 100.00 100.00 3.81e-58 . . . . 16884 1 13 no GB AAI36077 . "LOC100125022 protein [Xenopus (Silurana) tropicalis]" . . . . . 95.88 513 100.00 100.00 2.03e-58 . . . . 16884 1 14 no GB AAP57761 . "ELAV-type RNA-binding protein 3 variant 4 [Gallus gallus]" . . . . . 95.88 488 100.00 100.00 1.28e-58 . . . . 16884 1 15 no GB AAP57762 . "ELAV-type RNA-binding protein 3 variant L [Gallus gallus]" . . . . . 95.88 484 100.00 100.00 1.53e-58 . . . . 16884 1 16 no REF NP_001079593 . "CUGBP Elav-like family member 2 [Xenopus laevis]" . . . . . 95.88 536 100.00 100.00 3.81e-58 . . . . 16884 1 17 no REF NP_001096417 . "CUGBP Elav-like family member 2 [Xenopus (Silurana) tropicalis]" . . . . . 95.88 513 100.00 100.00 2.03e-58 . . . . 16884 1 18 no REF NP_001279263 . "CUGBP, Elav-like family member 2 [Callorhinchus milii]" . . . . . 95.88 513 98.92 100.00 1.50e-57 . . . . 16884 1 19 no REF XP_004574118 . "PREDICTED: CUGBP Elav-like family member 1 isoform X1 [Maylandia zebra]" . . . . . 95.88 511 97.85 100.00 3.05e-57 . . . . 16884 1 20 no REF XP_004574119 . "PREDICTED: CUGBP Elav-like family member 1 isoform X2 [Maylandia zebra]" . . . . . 95.88 510 97.85 100.00 3.09e-57 . . . . 16884 1 21 no SP A4IIM2 . "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" . . . . . 95.88 513 100.00 100.00 2.03e-58 . . . . 16884 1 22 no SP Q7T2T1 . "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" . . . . . 95.88 484 100.00 100.00 1.53e-58 . . . . 16884 1 23 no SP Q7ZXE2 . "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" . . . . . 95.88 536 100.00 100.00 3.81e-58 . . . . 16884 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Alternate Splicing involved in myotonic dystrophy' 16884 1 'domain of RNA binding protein' 16884 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 1 394 GLY . 16884 1 2 395 SER . 16884 1 3 396 HIS . 16884 1 4 397 MET . 16884 1 5 398 GLN . 16884 1 6 399 LYS . 16884 1 7 400 GLU . 16884 1 8 401 GLY . 16884 1 9 402 PRO . 16884 1 10 403 GLU . 16884 1 11 404 GLY . 16884 1 12 405 ALA . 16884 1 13 406 ASN . 16884 1 14 407 LEU . 16884 1 15 408 PHE . 16884 1 16 409 ILE . 16884 1 17 410 TYR . 16884 1 18 411 HIS . 16884 1 19 412 LEU . 16884 1 20 413 PRO . 16884 1 21 414 GLN . 16884 1 22 415 GLU . 16884 1 23 416 PHE . 16884 1 24 417 GLY . 16884 1 25 418 ASP . 16884 1 26 419 GLN . 16884 1 27 420 ASP . 16884 1 28 421 ILE . 16884 1 29 422 LEU . 16884 1 30 423 GLN . 16884 1 31 424 MET . 16884 1 32 425 PHE . 16884 1 33 426 MET . 16884 1 34 427 PRO . 16884 1 35 428 PHE . 16884 1 36 429 GLY . 16884 1 37 430 ASN . 16884 1 38 431 VAL . 16884 1 39 432 ILE . 16884 1 40 433 SER . 16884 1 41 434 ALA . 16884 1 42 435 LYS . 16884 1 43 436 VAL . 16884 1 44 437 PHE . 16884 1 45 438 ILE . 16884 1 46 439 ASP . 16884 1 47 440 LYS . 16884 1 48 441 GLN . 16884 1 49 442 THR . 16884 1 50 443 ASN . 16884 1 51 444 LEU . 16884 1 52 445 SER . 16884 1 53 446 LYS . 16884 1 54 447 CYS . 16884 1 55 448 PHE . 16884 1 56 449 GLY . 16884 1 57 450 PHE . 16884 1 58 451 VAL . 16884 1 59 452 SER . 16884 1 60 453 TYR . 16884 1 61 454 ASP . 16884 1 62 455 ASN . 16884 1 63 456 PRO . 16884 1 64 457 VAL . 16884 1 65 458 SER . 16884 1 66 459 ALA . 16884 1 67 460 GLN . 16884 1 68 461 ALA . 16884 1 69 462 ALA . 16884 1 70 463 ILE . 16884 1 71 464 GLN . 16884 1 72 465 ALA . 16884 1 73 466 MET . 16884 1 74 467 ASN . 16884 1 75 468 GLY . 16884 1 76 469 PHE . 16884 1 77 470 GLN . 16884 1 78 471 ILE . 16884 1 79 472 GLY . 16884 1 80 473 MET . 16884 1 81 474 LYS . 16884 1 82 475 ARG . 16884 1 83 476 LEU . 16884 1 84 477 LYS . 16884 1 85 478 VAL . 16884 1 86 479 GLN . 16884 1 87 480 LEU . 16884 1 88 481 LYS . 16884 1 89 482 ARG . 16884 1 90 483 SER . 16884 1 91 484 LYS . 16884 1 92 485 ASN . 16884 1 93 486 ASP . 16884 1 94 487 SER . 16884 1 95 488 LYS . 16884 1 96 489 PRO . 16884 1 97 490 TYR . 16884 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16884 1 . SER 2 2 16884 1 . HIS 3 3 16884 1 . MET 4 4 16884 1 . GLN 5 5 16884 1 . LYS 6 6 16884 1 . GLU 7 7 16884 1 . GLY 8 8 16884 1 . PRO 9 9 16884 1 . GLU 10 10 16884 1 . GLY 11 11 16884 1 . ALA 12 12 16884 1 . ASN 13 13 16884 1 . LEU 14 14 16884 1 . PHE 15 15 16884 1 . ILE 16 16 16884 1 . TYR 17 17 16884 1 . HIS 18 18 16884 1 . LEU 19 19 16884 1 . PRO 20 20 16884 1 . GLN 21 21 16884 1 . GLU 22 22 16884 1 . PHE 23 23 16884 1 . GLY 24 24 16884 1 . ASP 25 25 16884 1 . GLN 26 26 16884 1 . ASP 27 27 16884 1 . ILE 28 28 16884 1 . LEU 29 29 16884 1 . GLN 30 30 16884 1 . MET 31 31 16884 1 . PHE 32 32 16884 1 . MET 33 33 16884 1 . PRO 34 34 16884 1 . PHE 35 35 16884 1 . GLY 36 36 16884 1 . ASN 37 37 16884 1 . VAL 38 38 16884 1 . ILE 39 39 16884 1 . SER 40 40 16884 1 . ALA 41 41 16884 1 . LYS 42 42 16884 1 . VAL 43 43 16884 1 . PHE 44 44 16884 1 . ILE 45 45 16884 1 . ASP 46 46 16884 1 . LYS 47 47 16884 1 . GLN 48 48 16884 1 . THR 49 49 16884 1 . ASN 50 50 16884 1 . LEU 51 51 16884 1 . SER 52 52 16884 1 . LYS 53 53 16884 1 . CYS 54 54 16884 1 . PHE 55 55 16884 1 . GLY 56 56 16884 1 . PHE 57 57 16884 1 . VAL 58 58 16884 1 . SER 59 59 16884 1 . TYR 60 60 16884 1 . ASP 61 61 16884 1 . ASN 62 62 16884 1 . PRO 63 63 16884 1 . VAL 64 64 16884 1 . SER 65 65 16884 1 . ALA 66 66 16884 1 . GLN 67 67 16884 1 . ALA 68 68 16884 1 . ALA 69 69 16884 1 . ILE 70 70 16884 1 . GLN 71 71 16884 1 . ALA 72 72 16884 1 . MET 73 73 16884 1 . ASN 74 74 16884 1 . GLY 75 75 16884 1 . PHE 76 76 16884 1 . GLN 77 77 16884 1 . ILE 78 78 16884 1 . GLY 79 79 16884 1 . MET 80 80 16884 1 . LYS 81 81 16884 1 . ARG 82 82 16884 1 . LEU 83 83 16884 1 . LYS 84 84 16884 1 . VAL 85 85 16884 1 . GLN 86 86 16884 1 . LEU 87 87 16884 1 . LYS 88 88 16884 1 . ARG 89 89 16884 1 . SER 90 90 16884 1 . LYS 91 91 16884 1 . ASN 92 92 16884 1 . ASP 93 93 16884 1 . SER 94 94 16884 1 . LYS 95 95 16884 1 . PRO 96 96 16884 1 . TYR 97 97 16884 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 16884 _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 $RRM3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16884 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 16884 _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 $RRM3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) 'codon plus' . . . . . . . . . . . . . . pET28a . . . . . . 16884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16884 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BRUNOL-3 '[U-13C; U-15N]' . . 1 $RRM3 . . . 1 1.2 mM 0.05 . . . 16884 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 16884 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.5 . . . 16884 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 16884 1 5 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 16884 1 6 D2O 'natural abundance' . . . . . . 95 . . % . . . . 16884 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16884 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.05 pH 16884 1 temperature 308 0.01 K 16884 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16884 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16884 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16884 1 processing 16884 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16884 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16884 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16884 2 'data analysis' 16884 2 'peak picking' 16884 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16884 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16884 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16884 1 2 spectrometer_2 Bruker Avance . 700 . . . 16884 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 16884 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 5 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16884 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16884 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16884 1 12 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16884 1 13 '3D HN(C)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16884 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 16884 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16884 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16884 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16884 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '2D 1H-15N HSQC' . . . 16884 1 10 '3D 1H-15N NOESY' . . . 16884 1 11 '3D 1H-13C NOESY' . . . 16884 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.49 0.02 . 1 . . . . 394 GLY H . 16884 1 2 . 1 1 1 1 GLY HA2 H 1 3.98 0.02 . 1 . . . . 394 GLY HA2 . 16884 1 3 . 1 1 1 1 GLY C C 13 168.6 0.3 . 1 . . . . 394 GLY C . 16884 1 4 . 1 1 1 1 GLY CA C 13 39.8 0.3 . 1 . . . . 394 GLY CA . 16884 1 5 . 1 1 1 1 GLY N N 15 110.1 0.3 . 1 . . . . 394 GLY N . 16884 1 6 . 1 1 2 2 SER H H 1 8.24 0.02 . 1 . . . . 395 SER H . 16884 1 7 . 1 1 2 2 SER HA H 1 4.38 0.02 . 1 . . . . 395 SER HA . 16884 1 8 . 1 1 2 2 SER HB2 H 1 3.82 0.02 . 1 . . . . 395 SER HB2 . 16884 1 9 . 1 1 2 2 SER C C 13 168.8 0.3 . 1 . . . . 395 SER C . 16884 1 10 . 1 1 2 2 SER CA C 13 52.8 0.3 . 1 . . . . 395 SER CA . 16884 1 11 . 1 1 2 2 SER CB C 13 58.2 0.3 . 1 . . . . 395 SER CB . 16884 1 12 . 1 1 2 2 SER N N 15 115.4 0.3 . 1 . . . . 395 SER N . 16884 1 13 . 1 1 3 3 HIS H H 1 8.13 0.02 . 1 . . . . 396 HIS H . 16884 1 14 . 1 1 3 3 HIS HA H 1 4.64 0.02 . 1 . . . . 396 HIS HA . 16884 1 15 . 1 1 3 3 HIS HB3 H 1 3.14 0.02 . 1 . . . . 396 HIS HB3 . 16884 1 16 . 1 1 3 3 HIS C C 13 169.0 0.3 . 1 . . . . 396 HIS C . 16884 1 17 . 1 1 3 3 HIS CA C 13 48.6 0.3 . 1 . . . . 396 HIS CA . 16884 1 18 . 1 1 3 3 HIS CB C 13 27.1 0.3 . 1 . . . . 396 HIS CB . 16884 1 19 . 1 1 3 3 HIS N N 15 123.5 0.3 . 1 . . . . 396 HIS N . 16884 1 20 . 1 1 4 4 MET H H 1 8.23 0.02 . 1 . . . . 397 MET H . 16884 1 21 . 1 1 4 4 MET HA H 1 4.40 0.02 . 1 . . . . 397 MET HA . 16884 1 22 . 1 1 4 4 MET HB2 H 1 2.43 0.02 . 1 . . . . 397 MET HB2 . 16884 1 23 . 1 1 4 4 MET HG2 H 1 1.97 0.02 . 1 . . . . 397 MET HG2 . 16884 1 24 . 1 1 4 4 MET C C 13 171.2 0.3 . 1 . . . . 397 MET C . 16884 1 25 . 1 1 4 4 MET CA C 13 49.9 0.3 . 1 . . . . 397 MET CA . 16884 1 26 . 1 1 4 4 MET CB C 13 27.3 0.3 . 1 . . . . 397 MET CB . 16884 1 27 . 1 1 4 4 MET N N 15 120.8 0.3 . 1 . . . . 397 MET N . 16884 1 28 . 1 1 5 5 GLN H H 1 8.41 0.02 . 1 . . . . 398 GLN H . 16884 1 29 . 1 1 5 5 GLN HA H 1 4.26 0.02 . 1 . . . . 398 GLN HA . 16884 1 30 . 1 1 5 5 GLN HB3 H 1 1.84 0.02 . 1 . . . . 398 GLN HB3 . 16884 1 31 . 1 1 5 5 GLN HE21 H 1 6.67 0.02 . 1 . . . . 398 GLN HE21 . 16884 1 32 . 1 1 5 5 GLN HE22 H 1 7.42 0.02 . 1 . . . . 398 GLN HE22 . 16884 1 33 . 1 1 5 5 GLN HG2 H 1 2.12 0.02 . 2 . . . . 398 GLN HG2 . 16884 1 34 . 1 1 5 5 GLN HG3 H 1 2.19 0.02 . 2 . . . . 398 GLN HG3 . 16884 1 35 . 1 1 5 5 GLN C C 13 169.7 0.3 . 1 . . . . 398 GLN C . 16884 1 36 . 1 1 5 5 GLN CA C 13 50.0 0.3 . 1 . . . . 398 GLN CA . 16884 1 37 . 1 1 5 5 GLN CB C 13 23.7 0.3 . 1 . . . . 398 GLN CB . 16884 1 38 . 1 1 5 5 GLN CG C 13 27.0 0.3 . 1 . . . . 398 GLN CG . 16884 1 39 . 1 1 5 5 GLN N N 15 121.7 0.3 . 1 . . . . 398 GLN N . 16884 1 40 . 1 1 5 5 GLN NE2 N 15 110.6 0.3 . 1 . . . . 398 GLN NE2 . 16884 1 41 . 1 1 6 6 LYS H H 1 8.24 0.02 . 1 . . . . 399 LYS H . 16884 1 42 . 1 1 6 6 LYS HA H 1 4.30 0.02 . 1 . . . . 399 LYS HA . 16884 1 43 . 1 1 6 6 LYS HB3 H 1 1.74 0.02 . 1 . . . . 399 LYS HB3 . 16884 1 44 . 1 1 6 6 LYS HD2 H 1 1.66 0.02 . 1 . . . . 399 LYS HD2 . 16884 1 45 . 1 1 6 6 LYS HE2 H 1 2.95 0.02 . 1 . . . . 399 LYS HE2 . 16884 1 46 . 1 1 6 6 LYS HG2 H 1 1.36 0.02 . 1 . . . . 399 LYS HG2 . 16884 1 47 . 1 1 6 6 LYS C C 13 169.7 0.3 . 1 . . . . 399 LYS C . 16884 1 48 . 1 1 6 6 LYS CA C 13 50.5 0.3 . 1 . . . . 399 LYS CA . 16884 1 49 . 1 1 6 6 LYS CB C 13 27.9 0.3 . 1 . . . . 399 LYS CB . 16884 1 50 . 1 1 6 6 LYS CD C 13 23.5 0.3 . 1 . . . . 399 LYS CD . 16884 1 51 . 1 1 6 6 LYS CE C 13 36.5 0.3 . 1 . . . . 399 LYS CE . 16884 1 52 . 1 1 6 6 LYS CG C 13 19.1 0.3 . 1 . . . . 399 LYS CG . 16884 1 53 . 1 1 6 6 LYS N N 15 123.1 0.3 . 1 . . . . 399 LYS N . 16884 1 54 . 1 1 7 7 GLU H H 1 8.24 0.02 . 1 . . . . 400 GLU H . 16884 1 55 . 1 1 7 7 GLU HA H 1 4.51 0.02 . 1 . . . . 400 GLU HA . 16884 1 56 . 1 1 7 7 GLU HB2 H 1 1.93 0.02 . 2 . . . . 400 GLU HB2 . 16884 1 57 . 1 1 7 7 GLU HB3 H 1 2.19 0.02 . 2 . . . . 400 GLU HB3 . 16884 1 58 . 1 1 7 7 GLU HG2 H 1 2.16 0.02 . 2 . . . . 400 GLU HG2 . 16884 1 59 . 1 1 7 7 GLU HG3 H 1 2.30 0.02 . 2 . . . . 400 GLU HG3 . 16884 1 60 . 1 1 7 7 GLU C C 13 171.3 0.3 . 1 . . . . 400 GLU C . 16884 1 61 . 1 1 7 7 GLU CA C 13 50.3 0.3 . 1 . . . . 400 GLU CA . 16884 1 62 . 1 1 7 7 GLU CB C 13 26.1 0.3 . 1 . . . . 400 GLU CB . 16884 1 63 . 1 1 7 7 GLU CG C 13 31.1 0.3 . 1 . . . . 400 GLU CG . 16884 1 64 . 1 1 7 7 GLU N N 15 121.5 0.3 . 1 . . . . 400 GLU N . 16884 1 65 . 1 1 8 8 GLY H H 1 9.08 0.02 . 1 . . . . 401 GLY H . 16884 1 66 . 1 1 8 8 GLY HA2 H 1 4.18 0.02 . 2 . . . . 401 GLY HA2 . 16884 1 67 . 1 1 8 8 GLY HA3 H 1 4.34 0.02 . 2 . . . . 401 GLY HA3 . 16884 1 68 . 1 1 8 8 GLY C C 13 166.4 0.3 . 1 . . . . 401 GLY C . 16884 1 69 . 1 1 8 8 GLY CA C 13 38.5 0.3 . 1 . . . . 401 GLY CA . 16884 1 70 . 1 1 8 8 GLY N N 15 109.8 0.3 . 1 . . . . 401 GLY N . 16884 1 71 . 1 1 9 9 PRO HA H 1 4.50 0.02 . 1 . . . . 402 PRO HA . 16884 1 72 . 1 1 9 9 PRO HB3 H 1 2.38 0.02 . 1 . . . . 402 PRO HB3 . 16884 1 73 . 1 1 9 9 PRO HD2 H 1 3.66 0.02 . 2 . . . . 402 PRO HD2 . 16884 1 74 . 1 1 9 9 PRO HD3 H 1 3.55 0.02 . 2 . . . . 402 PRO HD3 . 16884 1 75 . 1 1 9 9 PRO HG2 H 1 2.06 0.02 . 2 . . . . 402 PRO HG2 . 16884 1 76 . 1 1 9 9 PRO HG3 H 1 1.64 0.02 . 2 . . . . 402 PRO HG3 . 16884 1 77 . 1 1 9 9 PRO C C 13 168.8 0.3 . 1 . . . . 402 PRO C . 16884 1 78 . 1 1 9 9 PRO CA C 13 56.7 0.3 . 1 . . . . 402 PRO CA . 16884 1 79 . 1 1 9 9 PRO CB C 13 27.1 0.3 . 1 . . . . 402 PRO CB . 16884 1 80 . 1 1 9 9 PRO CD C 13 43.4 0.3 . 1 . . . . 402 PRO CD . 16884 1 81 . 1 1 9 9 PRO CG C 13 21.3 0.3 . 1 . . . . 402 PRO CG . 16884 1 82 . 1 1 10 10 GLU H H 1 8.39 0.02 . 1 . . . . 403 GLU H . 16884 1 83 . 1 1 10 10 GLU HA H 1 4.08 0.02 . 1 . . . . 403 GLU HA . 16884 1 84 . 1 1 10 10 GLU HB2 H 1 1.98 0.02 . 2 . . . . 403 GLU HB2 . 16884 1 85 . 1 1 10 10 GLU HB3 H 1 2.06 0.02 . 2 . . . . 403 GLU HB3 . 16884 1 86 . 1 1 10 10 GLU HG2 H 1 2.31 0.02 . 2 . . . . 403 GLU HG2 . 16884 1 87 . 1 1 10 10 GLU HG3 H 1 2.36 0.02 . 2 . . . . 403 GLU HG3 . 16884 1 88 . 1 1 10 10 GLU C C 13 172.8 0.3 . 1 . . . . 403 GLU C . 16884 1 89 . 1 1 10 10 GLU CA C 13 52.7 0.3 . 1 . . . . 403 GLU CA . 16884 1 90 . 1 1 10 10 GLU CB C 13 23.7 0.3 . 1 . . . . 403 GLU CB . 16884 1 91 . 1 1 10 10 GLU CG C 13 30.3 0.3 . 1 . . . . 403 GLU CG . 16884 1 92 . 1 1 10 10 GLU N N 15 119.2 0.3 . 1 . . . . 403 GLU N . 16884 1 93 . 1 1 11 11 GLY H H 1 8.53 0.02 . 1 . . . . 404 GLY H . 16884 1 94 . 1 1 11 11 GLY HA2 H 1 4.38 0.02 . 2 . . . . 404 GLY HA2 . 16884 1 95 . 1 1 11 11 GLY HA3 H 1 3.83 0.02 . 2 . . . . 404 GLY HA3 . 16884 1 96 . 1 1 11 11 GLY C C 13 168.2 0.3 . 1 . . . . 404 GLY C . 16884 1 97 . 1 1 11 11 GLY CA C 13 39.9 0.3 . 1 . . . . 404 GLY CA . 16884 1 98 . 1 1 11 11 GLY N N 15 112.7 0.3 . 1 . . . . 404 GLY N . 16884 1 99 . 1 1 12 12 ALA H H 1 8.35 0.02 . 1 . . . . 405 ALA H . 16884 1 100 . 1 1 12 12 ALA HA H 1 4.63 0.02 . 1 . . . . 405 ALA HA . 16884 1 101 . 1 1 12 12 ALA HB1 H 1 1.15 0.02 . 1 . . . . 405 ALA HB . 16884 1 102 . 1 1 12 12 ALA HB2 H 1 1.15 0.02 . 1 . . . . 405 ALA HB . 16884 1 103 . 1 1 12 12 ALA HB3 H 1 1.15 0.02 . 1 . . . . 405 ALA HB . 16884 1 104 . 1 1 12 12 ALA C C 13 168.9 0.3 . 1 . . . . 405 ALA C . 16884 1 105 . 1 1 12 12 ALA CA C 13 45.4 0.3 . 1 . . . . 405 ALA CA . 16884 1 106 . 1 1 12 12 ALA CB C 13 15.3 0.3 . 1 . . . . 405 ALA CB . 16884 1 107 . 1 1 12 12 ALA N N 15 119.8 0.3 . 1 . . . . 405 ALA N . 16884 1 108 . 1 1 13 13 ASN H H 1 7.42 0.02 . 1 . . . . 406 ASN H . 16884 1 109 . 1 1 13 13 ASN HA H 1 5.26 0.02 . 1 . . . . 406 ASN HA . 16884 1 110 . 1 1 13 13 ASN HB2 H 1 2.53 0.02 . 2 . . . . 406 ASN HB2 . 16884 1 111 . 1 1 13 13 ASN HB3 H 1 2.82 0.02 . 2 . . . . 406 ASN HB3 . 16884 1 112 . 1 1 13 13 ASN HD21 H 1 6.67 0.02 . 1 . . . . 406 ASN HD21 . 16884 1 113 . 1 1 13 13 ASN HD22 H 1 7.69 0.02 . 1 . . . . 406 ASN HD22 . 16884 1 114 . 1 1 13 13 ASN C C 13 167.8 0.3 . 1 . . . . 406 ASN C . 16884 1 115 . 1 1 13 13 ASN CA C 13 47.2 0.3 . 1 . . . . 406 ASN CA . 16884 1 116 . 1 1 13 13 ASN CB C 13 36.1 0.3 . 1 . . . . 406 ASN CB . 16884 1 117 . 1 1 13 13 ASN N N 15 115.0 0.3 . 1 . . . . 406 ASN N . 16884 1 118 . 1 1 13 13 ASN ND2 N 15 114.9 0.3 . 1 . . . . 406 ASN ND2 . 16884 1 119 . 1 1 14 14 LEU H H 1 9.31 0.02 . 1 . . . . 407 LEU H . 16884 1 120 . 1 1 14 14 LEU HA H 1 5.07 0.02 . 1 . . . . 407 LEU HA . 16884 1 121 . 1 1 14 14 LEU HB2 H 1 1.11 0.02 . 2 . . . . 407 LEU HB2 . 16884 1 122 . 1 1 14 14 LEU HB3 H 1 1.54 0.02 . 2 . . . . 407 LEU HB3 . 16884 1 123 . 1 1 14 14 LEU HD21 H 1 0.75 0.02 . 1 . . . . 407 LEU HD2 . 16884 1 124 . 1 1 14 14 LEU HD22 H 1 0.75 0.02 . 1 . . . . 407 LEU HD2 . 16884 1 125 . 1 1 14 14 LEU HD23 H 1 0.75 0.02 . 1 . . . . 407 LEU HD2 . 16884 1 126 . 1 1 14 14 LEU HG H 1 0.77 0.02 . 1 . . . . 407 LEU HG . 16884 1 127 . 1 1 14 14 LEU C C 13 169.8 0.3 . 1 . . . . 407 LEU C . 16884 1 128 . 1 1 14 14 LEU CA C 13 48.0 0.3 . 1 . . . . 407 LEU CA . 16884 1 129 . 1 1 14 14 LEU CB C 13 40.2 0.3 . 1 . . . . 407 LEU CB . 16884 1 130 . 1 1 14 14 LEU CD2 C 13 19.8 0.3 . 1 . . . . 407 LEU CD2 . 16884 1 131 . 1 1 14 14 LEU CG C 13 21.0 0.3 . 1 . . . . 407 LEU CG . 16884 1 132 . 1 1 14 14 LEU N N 15 123.0 0.3 . 1 . . . . 407 LEU N . 16884 1 133 . 1 1 15 15 PHE H H 1 9.11 0.02 . 1 . . . . 408 PHE H . 16884 1 134 . 1 1 15 15 PHE HA H 1 5.38 0.02 . 1 . . . . 408 PHE HA . 16884 1 135 . 1 1 15 15 PHE HB2 H 1 2.85 0.02 . 2 . . . . 408 PHE HB2 . 16884 1 136 . 1 1 15 15 PHE HB3 H 1 2.88 0.02 . 2 . . . . 408 PHE HB3 . 16884 1 137 . 1 1 15 15 PHE HD1 H 1 7.41 0.02 . 1 . . . . 408 PHE HD1 . 16884 1 138 . 1 1 15 15 PHE HE1 H 1 6.95 0.02 . 1 . . . . 408 PHE HE1 . 16884 1 139 . 1 1 15 15 PHE C C 13 169.1 0.3 . 1 . . . . 408 PHE C . 16884 1 140 . 1 1 15 15 PHE CA C 13 51.1 0.3 . 1 . . . . 408 PHE CA . 16884 1 141 . 1 1 15 15 PHE CB C 13 37.6 0.3 . 1 . . . . 408 PHE CB . 16884 1 142 . 1 1 15 15 PHE CD2 C 13 126.1 0.3 . 1 . . . . 408 PHE CD2 . 16884 1 143 . 1 1 15 15 PHE CE1 C 13 125.4 0.3 . 1 . . . . 408 PHE CE1 . 16884 1 144 . 1 1 15 15 PHE N N 15 118.7 0.3 . 1 . . . . 408 PHE N . 16884 1 145 . 1 1 16 16 ILE H H 1 8.39 0.02 . 1 . . . . 409 ILE H . 16884 1 146 . 1 1 16 16 ILE HA H 1 5.03 0.02 . 1 . . . . 409 ILE HA . 16884 1 147 . 1 1 16 16 ILE HB H 1 1.38 0.02 . 1 . . . . 409 ILE HB . 16884 1 148 . 1 1 16 16 ILE HD11 H 1 0.24 0.02 . 1 . . . . 409 ILE HD1 . 16884 1 149 . 1 1 16 16 ILE HD12 H 1 0.24 0.02 . 1 . . . . 409 ILE HD1 . 16884 1 150 . 1 1 16 16 ILE HD13 H 1 0.24 0.02 . 1 . . . . 409 ILE HD1 . 16884 1 151 . 1 1 16 16 ILE HG12 H 1 0.94 0.02 . 2 . . . . 409 ILE HG12 . 16884 1 152 . 1 1 16 16 ILE HG13 H 1 1.14 0.02 . 2 . . . . 409 ILE HG13 . 16884 1 153 . 1 1 16 16 ILE HG21 H 1 0.93 0.02 . 1 . . . . 409 ILE HG2 . 16884 1 154 . 1 1 16 16 ILE HG22 H 1 0.93 0.02 . 1 . . . . 409 ILE HG2 . 16884 1 155 . 1 1 16 16 ILE HG23 H 1 0.93 0.02 . 1 . . . . 409 ILE HG2 . 16884 1 156 . 1 1 16 16 ILE C C 13 168.8 0.3 . 1 . . . . 409 ILE C . 16884 1 157 . 1 1 16 16 ILE CA C 13 53.9 0.3 . 1 . . . . 409 ILE CA . 16884 1 158 . 1 1 16 16 ILE CB C 13 35.4 0.3 . 1 . . . . 409 ILE CB . 16884 1 159 . 1 1 16 16 ILE CD1 C 13 10.6 0.3 . 1 . . . . 409 ILE CD1 . 16884 1 160 . 1 1 16 16 ILE CG1 C 13 23.4 0.3 . 1 . . . . 409 ILE CG1 . 16884 1 161 . 1 1 16 16 ILE CG2 C 13 15.4 0.3 . 1 . . . . 409 ILE CG2 . 16884 1 162 . 1 1 16 16 ILE N N 15 120.7 0.3 . 1 . . . . 409 ILE N . 16884 1 163 . 1 1 17 17 TYR H H 1 9.46 0.02 . 1 . . . . 410 TYR H . 16884 1 164 . 1 1 17 17 TYR HA H 1 5.04 0.02 . 1 . . . . 410 TYR HA . 16884 1 165 . 1 1 17 17 TYR HB2 H 1 2.49 0.02 . 2 . . . . 410 TYR HB2 . 16884 1 166 . 1 1 17 17 TYR HB3 H 1 2.77 0.02 . 2 . . . . 410 TYR HB3 . 16884 1 167 . 1 1 17 17 TYR HD1 H 1 6.85 0.02 . 1 . . . . 410 TYR HD1 . 16884 1 168 . 1 1 17 17 TYR HE1 H 1 6.37 0.02 . 1 . . . . 410 TYR HE1 . 16884 1 169 . 1 1 17 17 TYR C C 13 169.2 0.3 . 1 . . . . 410 TYR C . 16884 1 170 . 1 1 17 17 TYR CA C 13 51.1 0.3 . 1 . . . . 410 TYR CA . 16884 1 171 . 1 1 17 17 TYR CB C 13 35.4 0.3 . 1 . . . . 410 TYR CB . 16884 1 172 . 1 1 17 17 TYR CD2 C 13 127.8 0.3 . 1 . . . . 410 TYR CD2 . 16884 1 173 . 1 1 17 17 TYR CE1 C 13 112.5 0.3 . 1 . . . . 410 TYR CE1 . 16884 1 174 . 1 1 17 17 TYR N N 15 122.8 0.3 . 1 . . . . 410 TYR N . 16884 1 175 . 1 1 18 18 HIS H H 1 8.78 0.02 . 1 . . . . 411 HIS H . 16884 1 176 . 1 1 18 18 HIS HA H 1 4.53 0.02 . 1 . . . . 411 HIS HA . 16884 1 177 . 1 1 18 18 HIS HB2 H 1 4.08 0.02 . 2 . . . . 411 HIS HB2 . 16884 1 178 . 1 1 18 18 HIS HB3 H 1 3.13 0.02 . 2 . . . . 411 HIS HB3 . 16884 1 179 . 1 1 18 18 HIS HD2 H 1 7.21 0.02 . 1 . . . . 411 HIS HD2 . 16884 1 180 . 1 1 18 18 HIS C C 13 168.2 0.3 . 1 . . . . 411 HIS C . 16884 1 181 . 1 1 18 18 HIS CA C 13 49.9 0.3 . 1 . . . . 411 HIS CA . 16884 1 182 . 1 1 18 18 HIS CB C 13 20.8 0.3 . 1 . . . . 411 HIS CB . 16884 1 183 . 1 1 18 18 HIS CD2 C 13 115.2 0.3 . 1 . . . . 411 HIS CD2 . 16884 1 184 . 1 1 18 18 HIS N N 15 112.1 0.3 . 1 . . . . 411 HIS N . 16884 1 185 . 1 1 19 19 LEU H H 1 7.54 0.02 . 1 . . . . 412 LEU H . 16884 1 186 . 1 1 19 19 LEU HA H 1 4.04 0.02 . 1 . . . . 412 LEU HA . 16884 1 187 . 1 1 19 19 LEU HB2 H 1 1.12 0.02 . 2 . . . . 412 LEU HB2 . 16884 1 188 . 1 1 19 19 LEU HB3 H 1 1.18 0.02 . 2 . . . . 412 LEU HB3 . 16884 1 189 . 1 1 19 19 LEU HD21 H 1 0.71 0.02 . 1 . . . . 412 LEU HD2 . 16884 1 190 . 1 1 19 19 LEU HD22 H 1 0.71 0.02 . 1 . . . . 412 LEU HD2 . 16884 1 191 . 1 1 19 19 LEU HD23 H 1 0.71 0.02 . 1 . . . . 412 LEU HD2 . 16884 1 192 . 1 1 19 19 LEU HG H 1 0.90 0.02 . 1 . . . . 412 LEU HG . 16884 1 193 . 1 1 19 19 LEU C C 13 170.0 0.3 . 1 . . . . 412 LEU C . 16884 1 194 . 1 1 19 19 LEU CA C 13 47.2 0.3 . 1 . . . . 412 LEU CA . 16884 1 195 . 1 1 19 19 LEU CB C 13 36.8 0.3 . 1 . . . . 412 LEU CB . 16884 1 196 . 1 1 19 19 LEU CD2 C 13 18.3 0.3 . 1 . . . . 412 LEU CD2 . 16884 1 197 . 1 1 19 19 LEU CG C 13 19.8 0.3 . 1 . . . . 412 LEU CG . 16884 1 198 . 1 1 19 19 LEU N N 15 114.1 0.3 . 1 . . . . 412 LEU N . 16884 1 199 . 1 1 20 20 PRO HA H 1 4.35 0.02 . 1 . . . . 413 PRO HA . 16884 1 200 . 1 1 20 20 PRO HB3 H 1 2.38 0.02 . 1 . . . . 413 PRO HB3 . 16884 1 201 . 1 1 20 20 PRO HD2 H 1 3.28 0.02 . 1 . . . . 413 PRO HD2 . 16884 1 202 . 1 1 20 20 PRO HG2 H 1 1.31 0.02 . 2 . . . . 413 PRO HG2 . 16884 1 203 . 1 1 20 20 PRO HG3 H 1 1.67 0.02 . 2 . . . . 413 PRO HG3 . 16884 1 204 . 1 1 20 20 PRO C C 13 172.5 0.3 . 1 . . . . 413 PRO C . 16884 1 205 . 1 1 20 20 PRO CA C 13 57.2 0.3 . 1 . . . . 413 PRO CA . 16884 1 206 . 1 1 20 20 PRO CB C 13 27.1 0.3 . 1 . . . . 413 PRO CB . 16884 1 207 . 1 1 20 20 PRO CD C 13 44.2 0.3 . 1 . . . . 413 PRO CD . 16884 1 208 . 1 1 20 20 PRO CG C 13 22.6 0.3 . 1 . . . . 413 PRO CG . 16884 1 209 . 1 1 21 21 GLN H H 1 9.10 0.02 . 1 . . . . 414 GLN H . 16884 1 210 . 1 1 21 21 GLN HA H 1 4.16 0.02 . 1 . . . . 414 GLN HA . 16884 1 211 . 1 1 21 21 GLN HB2 H 1 2.13 0.02 . 2 . . . . 414 GLN HB2 . 16884 1 212 . 1 1 21 21 GLN HB3 H 1 2.04 0.02 . 2 . . . . 414 GLN HB3 . 16884 1 213 . 1 1 21 21 GLN HE21 H 1 6.81 0.02 . 1 . . . . 414 GLN HE21 . 16884 1 214 . 1 1 21 21 GLN HE22 H 1 7.33 0.02 . 1 . . . . 414 GLN HE22 . 16884 1 215 . 1 1 21 21 GLN HG2 H 1 2.51 0.02 . 2 . . . . 414 GLN HG2 . 16884 1 216 . 1 1 21 21 GLN HG3 H 1 2.40 0.02 . 2 . . . . 414 GLN HG3 . 16884 1 217 . 1 1 21 21 GLN C C 13 170.3 0.3 . 1 . . . . 414 GLN C . 16884 1 218 . 1 1 21 21 GLN CA C 13 53.4 0.3 . 1 . . . . 414 GLN CA . 16884 1 219 . 1 1 21 21 GLN CB C 13 23.4 0.3 . 1 . . . . 414 GLN CB . 16884 1 220 . 1 1 21 21 GLN CG C 13 28.5 0.3 . 1 . . . . 414 GLN CG . 16884 1 221 . 1 1 21 21 GLN N N 15 125.8 0.3 . 1 . . . . 414 GLN N . 16884 1 222 . 1 1 21 21 GLN NE2 N 15 111.2 0.3 . 1 . . . . 414 GLN NE2 . 16884 1 223 . 1 1 22 22 GLU H H 1 9.19 0.02 . 1 . . . . 415 GLU H . 16884 1 224 . 1 1 22 22 GLU HA H 1 4.34 0.02 . 1 . . . . 415 GLU HA . 16884 1 225 . 1 1 22 22 GLU HB2 H 1 2.07 0.02 . 2 . . . . 415 GLU HB2 . 16884 1 226 . 1 1 22 22 GLU HB3 H 1 2.07 0.02 . 2 . . . . 415 GLU HB3 . 16884 1 227 . 1 1 22 22 GLU HG2 H 1 2.38 0.02 . 1 . . . . 415 GLU HG2 . 16884 1 228 . 1 1 22 22 GLU C C 13 171.6 0.3 . 1 . . . . 415 GLU C . 16884 1 229 . 1 1 22 22 GLU CA C 13 51.6 0.3 . 1 . . . . 415 GLU CA . 16884 1 230 . 1 1 22 22 GLU CB C 13 23.2 0.3 . 1 . . . . 415 GLU CB . 16884 1 231 . 1 1 22 22 GLU CG C 13 30.8 0.3 . 1 . . . . 415 GLU CG . 16884 1 232 . 1 1 22 22 GLU N N 15 114.4 0.3 . 1 . . . . 415 GLU N . 16884 1 233 . 1 1 23 23 PHE H H 1 7.60 0.02 . 1 . . . . 416 PHE H . 16884 1 234 . 1 1 23 23 PHE HA H 1 4.69 0.02 . 1 . . . . 416 PHE HA . 16884 1 235 . 1 1 23 23 PHE HB2 H 1 3.45 0.02 . 2 . . . . 416 PHE HB2 . 16884 1 236 . 1 1 23 23 PHE HB3 H 1 2.87 0.02 . 2 . . . . 416 PHE HB3 . 16884 1 237 . 1 1 23 23 PHE HD1 H 1 7.04 0.02 . 1 . . . . 416 PHE HD1 . 16884 1 238 . 1 1 23 23 PHE HE1 H 1 7.36 0.02 . 1 . . . . 416 PHE HE1 . 16884 1 239 . 1 1 23 23 PHE C C 13 171.2 0.3 . 1 . . . . 416 PHE C . 16884 1 240 . 1 1 23 23 PHE CA C 13 52.3 0.3 . 1 . . . . 416 PHE CA . 16884 1 241 . 1 1 23 23 PHE CB C 13 33.8 0.3 . 1 . . . . 416 PHE CB . 16884 1 242 . 1 1 23 23 PHE CD2 C 13 124.3 0.3 . 1 . . . . 416 PHE CD2 . 16884 1 243 . 1 1 23 23 PHE CE1 C 13 126.4 0.3 . 1 . . . . 416 PHE CE1 . 16884 1 244 . 1 1 23 23 PHE N N 15 121.8 0.3 . 1 . . . . 416 PHE N . 16884 1 245 . 1 1 24 24 GLY H H 1 9.77 0.02 . 1 . . . . 417 GLY H . 16884 1 246 . 1 1 24 24 GLY HA2 H 1 3.89 0.02 . 2 . . . . 417 GLY HA2 . 16884 1 247 . 1 1 24 24 GLY HA3 H 1 4.65 0.02 . 2 . . . . 417 GLY HA3 . 16884 1 248 . 1 1 24 24 GLY C C 13 169.2 0.3 . 1 . . . . 417 GLY C . 16884 1 249 . 1 1 24 24 GLY CA C 13 37.8 0.3 . 1 . . . . 417 GLY CA . 16884 1 250 . 1 1 24 24 GLY N N 15 113.2 0.3 . 1 . . . . 417 GLY N . 16884 1 251 . 1 1 25 25 ASP H H 1 8.66 0.02 . 1 . . . . 418 ASP H . 16884 1 252 . 1 1 25 25 ASP HA H 1 4.00 0.02 . 1 . . . . 418 ASP HA . 16884 1 253 . 1 1 25 25 ASP HB2 H 1 2.78 0.02 . 2 . . . . 418 ASP HB2 . 16884 1 254 . 1 1 25 25 ASP HB3 H 1 2.60 0.02 . 2 . . . . 418 ASP HB3 . 16884 1 255 . 1 1 25 25 ASP C C 13 172.7 0.3 . 1 . . . . 418 ASP C . 16884 1 256 . 1 1 25 25 ASP CA C 13 52.5 0.3 . 1 . . . . 418 ASP CA . 16884 1 257 . 1 1 25 25 ASP CB C 13 34.7 0.3 . 1 . . . . 418 ASP CB . 16884 1 258 . 1 1 25 25 ASP N N 15 121.5 0.3 . 1 . . . . 418 ASP N . 16884 1 259 . 1 1 26 26 GLN H H 1 8.77 0.02 . 1 . . . . 419 GLN H . 16884 1 260 . 1 1 26 26 GLN HA H 1 3.97 0.02 . 1 . . . . 419 GLN HA . 16884 1 261 . 1 1 26 26 GLN HB2 H 1 1.97 0.02 . 2 . . . . 419 GLN HB2 . 16884 1 262 . 1 1 26 26 GLN HB3 H 1 2.05 0.02 . 2 . . . . 419 GLN HB3 . 16884 1 263 . 1 1 26 26 GLN HE21 H 1 6.82 0.02 . 1 . . . . 419 GLN HE21 . 16884 1 264 . 1 1 26 26 GLN HE22 H 1 7.53 0.02 . 1 . . . . 419 GLN HE22 . 16884 1 265 . 1 1 26 26 GLN HG2 H 1 2.37 0.02 . 1 . . . . 419 GLN HG2 . 16884 1 266 . 1 1 26 26 GLN C C 13 172.4 0.3 . 1 . . . . 419 GLN C . 16884 1 267 . 1 1 26 26 GLN CA C 13 52.9 0.3 . 1 . . . . 419 GLN CA . 16884 1 268 . 1 1 26 26 GLN CB C 13 22.3 0.3 . 1 . . . . 419 GLN CB . 16884 1 269 . 1 1 26 26 GLN CG C 13 28.1 0.3 . 1 . . . . 419 GLN CG . 16884 1 270 . 1 1 26 26 GLN N N 15 116.1 0.3 . 1 . . . . 419 GLN N . 16884 1 271 . 1 1 26 26 GLN NE2 N 15 112.0 0.3 . 1 . . . . 419 GLN NE2 . 16884 1 272 . 1 1 27 27 ASP H H 1 7.18 0.02 . 1 . . . . 420 ASP H . 16884 1 273 . 1 1 27 27 ASP HA H 1 4.09 0.02 . 1 . . . . 420 ASP HA . 16884 1 274 . 1 1 27 27 ASP HB2 H 1 2.05 0.02 . 2 . . . . 420 ASP HB2 . 16884 1 275 . 1 1 27 27 ASP HB3 H 1 2.08 0.02 . 2 . . . . 420 ASP HB3 . 16884 1 276 . 1 1 27 27 ASP C C 13 172.9 0.3 . 1 . . . . 420 ASP C . 16884 1 277 . 1 1 27 27 ASP CA C 13 51.4 0.3 . 1 . . . . 420 ASP CA . 16884 1 278 . 1 1 27 27 ASP CB C 13 34.6 0.3 . 1 . . . . 420 ASP CB . 16884 1 279 . 1 1 27 27 ASP N N 15 117.5 0.3 . 1 . . . . 420 ASP N . 16884 1 280 . 1 1 28 28 ILE H H 1 7.58 0.02 . 1 . . . . 421 ILE H . 16884 1 281 . 1 1 28 28 ILE HA H 1 4.15 0.02 . 1 . . . . 421 ILE HA . 16884 1 282 . 1 1 28 28 ILE HB H 1 1.74 0.02 . 1 . . . . 421 ILE HB . 16884 1 283 . 1 1 28 28 ILE HD11 H 1 0.67 0.02 . 1 . . . . 421 ILE HD1 . 16884 1 284 . 1 1 28 28 ILE HD12 H 1 0.67 0.02 . 1 . . . . 421 ILE HD1 . 16884 1 285 . 1 1 28 28 ILE HD13 H 1 0.67 0.02 . 1 . . . . 421 ILE HD1 . 16884 1 286 . 1 1 28 28 ILE HG12 H 1 1.52 0.02 . 2 . . . . 421 ILE HG12 . 16884 1 287 . 1 1 28 28 ILE HG13 H 1 1.25 0.02 . 2 . . . . 421 ILE HG13 . 16884 1 288 . 1 1 28 28 ILE HG21 H 1 0.89 0.02 . 1 . . . . 421 ILE HG2 . 16884 1 289 . 1 1 28 28 ILE HG22 H 1 0.89 0.02 . 1 . . . . 421 ILE HG2 . 16884 1 290 . 1 1 28 28 ILE HG23 H 1 0.89 0.02 . 1 . . . . 421 ILE HG2 . 16884 1 291 . 1 1 28 28 ILE C C 13 171.3 0.3 . 1 . . . . 421 ILE C . 16884 1 292 . 1 1 28 28 ILE CA C 13 58.9 0.3 . 1 . . . . 421 ILE CA . 16884 1 293 . 1 1 28 28 ILE CB C 13 32.2 0.3 . 1 . . . . 421 ILE CB . 16884 1 294 . 1 1 28 28 ILE CD1 C 13 8.5 0.3 . 1 . . . . 421 ILE CD1 . 16884 1 295 . 1 1 28 28 ILE CG1 C 13 23.4 0.3 . 1 . . . . 421 ILE CG1 . 16884 1 296 . 1 1 28 28 ILE CG2 C 13 12.8 0.3 . 1 . . . . 421 ILE CG2 . 16884 1 297 . 1 1 28 28 ILE N N 15 116.8 0.3 . 1 . . . . 421 ILE N . 16884 1 298 . 1 1 29 29 LEU H H 1 7.89 0.02 . 1 . . . . 422 LEU H . 16884 1 299 . 1 1 29 29 LEU HA H 1 3.84 0.02 . 1 . . . . 422 LEU HA . 16884 1 300 . 1 1 29 29 LEU HB2 H 1 1.65 0.02 . 2 . . . . 422 LEU HB2 . 16884 1 301 . 1 1 29 29 LEU HB3 H 1 1.84 0.02 . 2 . . . . 422 LEU HB3 . 16884 1 302 . 1 1 29 29 LEU HD21 H 1 0.86 0.02 . 1 . . . . 422 LEU HD2 . 16884 1 303 . 1 1 29 29 LEU HD22 H 1 0.86 0.02 . 1 . . . . 422 LEU HD2 . 16884 1 304 . 1 1 29 29 LEU HD23 H 1 0.86 0.02 . 1 . . . . 422 LEU HD2 . 16884 1 305 . 1 1 29 29 LEU HG H 1 1.51 0.02 . 1 . . . . 422 LEU HG . 16884 1 306 . 1 1 29 29 LEU C C 13 172.7 0.3 . 1 . . . . 422 LEU C . 16884 1 307 . 1 1 29 29 LEU CA C 13 53.5 0.3 . 1 . . . . 422 LEU CA . 16884 1 308 . 1 1 29 29 LEU CB C 13 36.1 0.3 . 1 . . . . 422 LEU CB . 16884 1 309 . 1 1 29 29 LEU CD2 C 13 18.1 0.3 . 1 . . . . 422 LEU CD2 . 16884 1 310 . 1 1 29 29 LEU CG C 13 21.5 0.3 . 1 . . . . 422 LEU CG . 16884 1 311 . 1 1 29 29 LEU N N 15 123.1 0.3 . 1 . . . . 422 LEU N . 16884 1 312 . 1 1 30 30 GLN H H 1 7.82 0.02 . 1 . . . . 423 GLN H . 16884 1 313 . 1 1 30 30 GLN HA H 1 3.94 0.02 . 1 . . . . 423 GLN HA . 16884 1 314 . 1 1 30 30 GLN HB3 H 1 2.11 0.02 . 1 . . . . 423 GLN HB3 . 16884 1 315 . 1 1 30 30 GLN HE21 H 1 6.82 0.02 . 1 . . . . 423 GLN HE21 . 16884 1 316 . 1 1 30 30 GLN HE22 H 1 7.78 0.02 . 1 . . . . 423 GLN HE22 . 16884 1 317 . 1 1 30 30 GLN HG2 H 1 2.40 0.02 . 2 . . . . 423 GLN HG2 . 16884 1 318 . 1 1 30 30 GLN HG3 H 1 2.49 0.02 . 2 . . . . 423 GLN HG3 . 16884 1 319 . 1 1 30 30 GLN C C 13 172.7 0.3 . 1 . . . . 423 GLN C . 16884 1 320 . 1 1 30 30 GLN CA C 13 53.5 0.3 . 1 . . . . 423 GLN CA . 16884 1 321 . 1 1 30 30 GLN CB C 13 22.8 0.3 . 1 . . . . 423 GLN CB . 16884 1 322 . 1 1 30 30 GLN CG C 13 28.5 0.3 . 1 . . . . 423 GLN CG . 16884 1 323 . 1 1 30 30 GLN N N 15 115.4 0.3 . 1 . . . . 423 GLN N . 16884 1 324 . 1 1 30 30 GLN NE2 N 15 111.9 0.3 . 1 . . . . 423 GLN NE2 . 16884 1 325 . 1 1 31 31 MET H H 1 7.51 0.02 . 1 . . . . 424 MET H . 16884 1 326 . 1 1 31 31 MET HA H 1 3.95 0.02 . 1 . . . . 424 MET HA . 16884 1 327 . 1 1 31 31 MET HB2 H 1 1.96 0.02 . 1 . . . . 424 MET HB2 . 16884 1 328 . 1 1 31 31 MET HG2 H 1 2.33 0.02 . 1 . . . . 424 MET HG2 . 16884 1 329 . 1 1 31 31 MET C C 13 170.4 0.3 . 1 . . . . 424 MET C . 16884 1 330 . 1 1 31 31 MET CA C 13 52.6 0.3 . 1 . . . . 424 MET CA . 16884 1 331 . 1 1 31 31 MET CB C 13 29.2 0.3 . 1 . . . . 424 MET CB . 16884 1 332 . 1 1 31 31 MET CG C 13 26.6 0.3 . 1 . . . . 424 MET CG . 16884 1 333 . 1 1 31 31 MET N N 15 115.3 0.3 . 1 . . . . 424 MET N . 16884 1 334 . 1 1 32 32 PHE H H 1 7.70 0.02 . 1 . . . . 425 PHE H . 16884 1 335 . 1 1 32 32 PHE HA H 1 4.78 0.02 . 1 . . . . 425 PHE HA . 16884 1 336 . 1 1 32 32 PHE HB2 H 1 3.56 0.02 . 2 . . . . 425 PHE HB2 . 16884 1 337 . 1 1 32 32 PHE HB3 H 1 2.70 0.02 . 2 . . . . 425 PHE HB3 . 16884 1 338 . 1 1 32 32 PHE HD1 H 1 7.96 0.02 . 1 . . . . 425 PHE HD1 . 16884 1 339 . 1 1 32 32 PHE HE1 H 1 6.95 0.02 . 1 . . . . 425 PHE HE1 . 16884 1 340 . 1 1 32 32 PHE C C 13 172.2 0.3 . 1 . . . . 425 PHE C . 16884 1 341 . 1 1 32 32 PHE CA C 13 54.7 0.3 . 1 . . . . 425 PHE CA . 16884 1 342 . 1 1 32 32 PHE CB C 13 33.0 0.3 . 1 . . . . 425 PHE CB . 16884 1 343 . 1 1 32 32 PHE CD2 C 13 126.9 0.3 . 1 . . . . 425 PHE CD2 . 16884 1 344 . 1 1 32 32 PHE CE1 C 13 125.2 0.3 . 1 . . . . 425 PHE CE1 . 16884 1 345 . 1 1 32 32 PHE N N 15 112.4 0.3 . 1 . . . . 425 PHE N . 16884 1 346 . 1 1 33 33 MET H H 1 8.55 0.02 . 1 . . . . 426 MET H . 16884 1 347 . 1 1 33 33 MET HA H 1 4.71 0.02 . 1 . . . . 426 MET HA . 16884 1 348 . 1 1 33 33 MET HB2 H 1 2.20 0.02 . 1 . . . . 426 MET HB2 . 16884 1 349 . 1 1 33 33 MET HE1 H 1 0.71 0.02 . 1 . . . . 426 MET HE . 16884 1 350 . 1 1 33 33 MET HE2 H 1 0.71 0.02 . 1 . . . . 426 MET HE . 16884 1 351 . 1 1 33 33 MET HE3 H 1 0.71 0.02 . 1 . . . . 426 MET HE . 16884 1 352 . 1 1 33 33 MET HG2 H 1 2.77 0.02 . 1 . . . . 426 MET HG2 . 16884 1 353 . 1 1 33 33 MET C C 13 168.6 0.3 . 1 . . . . 426 MET C . 16884 1 354 . 1 1 33 33 MET CA C 13 54.0 0.3 . 1 . . . . 426 MET CA . 16884 1 355 . 1 1 33 33 MET CB C 13 26.3 0.3 . 1 . . . . 426 MET CB . 16884 1 356 . 1 1 33 33 MET CE C 13 16.9 0.3 . 1 . . . . 426 MET CE . 16884 1 357 . 1 1 33 33 MET CG C 13 26.5 0.3 . 1 . . . . 426 MET CG . 16884 1 358 . 1 1 33 33 MET N N 15 127.4 0.3 . 1 . . . . 426 MET N . 16884 1 359 . 1 1 34 34 PRO HA H 1 4.08 0.02 . 1 . . . . 427 PRO HA . 16884 1 360 . 1 1 34 34 PRO HB3 H 1 1.89 0.02 . 1 . . . . 427 PRO HB3 . 16884 1 361 . 1 1 34 34 PRO HD2 H 1 2.87 0.02 . 1 . . . . 427 PRO HD2 . 16884 1 362 . 1 1 34 34 PRO HG2 H 1 1.59 0.02 . 2 . . . . 427 PRO HG2 . 16884 1 363 . 1 1 34 34 PRO HG3 H 1 1.63 0.02 . 2 . . . . 427 PRO HG3 . 16884 1 364 . 1 1 34 34 PRO C C 13 171.6 0.3 . 1 . . . . 427 PRO C . 16884 1 365 . 1 1 34 34 PRO CA C 13 60.0 0.3 . 1 . . . . 427 PRO CA . 16884 1 366 . 1 1 34 34 PRO CB C 13 25.4 0.3 . 1 . . . . 427 PRO CB . 16884 1 367 . 1 1 34 34 PRO CD C 13 46.0 0.3 . 1 . . . . 427 PRO CD . 16884 1 368 . 1 1 34 34 PRO CG C 13 22.4 0.3 . 1 . . . . 427 PRO CG . 16884 1 369 . 1 1 35 35 PHE H H 1 6.61 0.02 . 1 . . . . 428 PHE H . 16884 1 370 . 1 1 35 35 PHE HA H 1 4.35 0.02 . 1 . . . . 428 PHE HA . 16884 1 371 . 1 1 35 35 PHE HB2 H 1 3.40 0.02 . 2 . . . . 428 PHE HB2 . 16884 1 372 . 1 1 35 35 PHE HB3 H 1 2.81 0.02 . 2 . . . . 428 PHE HB3 . 16884 1 373 . 1 1 35 35 PHE HD1 H 1 7.27 0.02 . 1 . . . . 428 PHE HD1 . 16884 1 374 . 1 1 35 35 PHE HE1 H 1 7.16 0.02 . 1 . . . . 428 PHE HE1 . 16884 1 375 . 1 1 35 35 PHE C C 13 169.5 0.3 . 1 . . . . 428 PHE C . 16884 1 376 . 1 1 35 35 PHE CA C 13 52.6 0.3 . 1 . . . . 428 PHE CA . 16884 1 377 . 1 1 35 35 PHE CB C 13 33.0 0.3 . 1 . . . . 428 PHE CB . 16884 1 378 . 1 1 35 35 PHE CD2 C 13 125.6 0.3 . 1 . . . . 428 PHE CD2 . 16884 1 379 . 1 1 35 35 PHE CE1 C 13 126.3 0.3 . 1 . . . . 428 PHE CE1 . 16884 1 380 . 1 1 35 35 PHE N N 15 109.9 0.3 . 1 . . . . 428 PHE N . 16884 1 381 . 1 1 36 36 GLY H H 1 7.67 0.02 . 1 . . . . 429 GLY H . 16884 1 382 . 1 1 36 36 GLY HA2 H 1 4.19 0.02 . 2 . . . . 429 GLY HA2 . 16884 1 383 . 1 1 36 36 GLY HA3 H 1 3.89 0.02 . 2 . . . . 429 GLY HA3 . 16884 1 384 . 1 1 36 36 GLY C C 13 165.0 0.3 . 1 . . . . 429 GLY C . 16884 1 385 . 1 1 36 36 GLY CA C 13 39.3 0.3 . 1 . . . . 429 GLY CA . 16884 1 386 . 1 1 36 36 GLY N N 15 105.6 0.3 . 1 . . . . 429 GLY N . 16884 1 387 . 1 1 37 37 ASN H H 1 9.05 0.02 . 1 . . . . 430 ASN H . 16884 1 388 . 1 1 37 37 ASN HA H 1 4.71 0.02 . 1 . . . . 430 ASN HA . 16884 1 389 . 1 1 37 37 ASN HB2 H 1 2.81 0.02 . 1 . . . . 430 ASN HB2 . 16884 1 390 . 1 1 37 37 ASN HD21 H 1 6.89 0.02 . 1 . . . . 430 ASN HD21 . 16884 1 391 . 1 1 37 37 ASN HD22 H 1 7.93 0.02 . 1 . . . . 430 ASN HD22 . 16884 1 392 . 1 1 37 37 ASN C C 13 168.1 0.3 . 1 . . . . 430 ASN C . 16884 1 393 . 1 1 37 37 ASN CA C 13 47.5 0.3 . 1 . . . . 430 ASN CA . 16884 1 394 . 1 1 37 37 ASN CB C 13 32.0 0.3 . 1 . . . . 430 ASN CB . 16884 1 395 . 1 1 37 37 ASN N N 15 117.4 0.3 . 1 . . . . 430 ASN N . 16884 1 396 . 1 1 37 37 ASN ND2 N 15 113.8 0.3 . 1 . . . . 430 ASN ND2 . 16884 1 397 . 1 1 38 38 VAL H H 1 8.23 0.02 . 1 . . . . 431 VAL H . 16884 1 398 . 1 1 38 38 VAL HA H 1 3.83 0.02 . 1 . . . . 431 VAL HA . 16884 1 399 . 1 1 38 38 VAL HB H 1 1.83 0.02 . 1 . . . . 431 VAL HB . 16884 1 400 . 1 1 38 38 VAL HG11 H 1 0.71 0.02 . 1 . . . . 431 VAL HG1 . 16884 1 401 . 1 1 38 38 VAL HG12 H 1 0.71 0.02 . 1 . . . . 431 VAL HG1 . 16884 1 402 . 1 1 38 38 VAL HG13 H 1 0.71 0.02 . 1 . . . . 431 VAL HG1 . 16884 1 403 . 1 1 38 38 VAL HG21 H 1 0.60 0.02 . 1 . . . . 431 VAL HG2 . 16884 1 404 . 1 1 38 38 VAL HG22 H 1 0.60 0.02 . 1 . . . . 431 VAL HG2 . 16884 1 405 . 1 1 38 38 VAL HG23 H 1 0.60 0.02 . 1 . . . . 431 VAL HG2 . 16884 1 406 . 1 1 38 38 VAL C C 13 171.2 0.3 . 1 . . . . 431 VAL C . 16884 1 407 . 1 1 38 38 VAL CA C 13 56.7 0.3 . 1 . . . . 431 VAL CA . 16884 1 408 . 1 1 38 38 VAL CB C 13 26.7 0.3 . 1 . . . . 431 VAL CB . 16884 1 409 . 1 1 38 38 VAL CG2 C 13 17.3 0.3 . 1 . . . . 431 VAL CG2 . 16884 1 410 . 1 1 38 38 VAL N N 15 127.6 0.3 . 1 . . . . 431 VAL N . 16884 1 411 . 1 1 39 39 ILE H H 1 8.84 0.02 . 1 . . . . 432 ILE H . 16884 1 412 . 1 1 39 39 ILE HA H 1 4.05 0.02 . 1 . . . . 432 ILE HA . 16884 1 413 . 1 1 39 39 ILE HB H 1 1.74 0.02 . 1 . . . . 432 ILE HB . 16884 1 414 . 1 1 39 39 ILE HD11 H 1 0.63 0.02 . 1 . . . . 432 ILE HD1 . 16884 1 415 . 1 1 39 39 ILE HD12 H 1 0.63 0.02 . 1 . . . . 432 ILE HD1 . 16884 1 416 . 1 1 39 39 ILE HD13 H 1 0.63 0.02 . 1 . . . . 432 ILE HD1 . 16884 1 417 . 1 1 39 39 ILE HG13 H 1 1.23 0.02 . 1 . . . . 432 ILE HG13 . 16884 1 418 . 1 1 39 39 ILE HG21 H 1 0.73 0.02 . 1 . . . . 432 ILE HG2 . 16884 1 419 . 1 1 39 39 ILE HG22 H 1 0.73 0.02 . 1 . . . . 432 ILE HG2 . 16884 1 420 . 1 1 39 39 ILE HG23 H 1 0.73 0.02 . 1 . . . . 432 ILE HG2 . 16884 1 421 . 1 1 39 39 ILE C C 13 171.0 0.3 . 1 . . . . 432 ILE C . 16884 1 422 . 1 1 39 39 ILE CA C 13 56.8 0.3 . 1 . . . . 432 ILE CA . 16884 1 423 . 1 1 39 39 ILE CB C 13 32.3 0.3 . 1 . . . . 432 ILE CB . 16884 1 424 . 1 1 39 39 ILE CD1 C 13 7.4 0.3 . 1 . . . . 432 ILE CD1 . 16884 1 425 . 1 1 39 39 ILE CG1 C 13 21.4 0.3 . 1 . . . . 432 ILE CG1 . 16884 1 426 . 1 1 39 39 ILE CG2 C 13 11.9 0.3 . 1 . . . . 432 ILE CG2 . 16884 1 427 . 1 1 39 39 ILE N N 15 127.5 0.3 . 1 . . . . 432 ILE N . 16884 1 428 . 1 1 40 40 SER H H 1 7.32 0.02 . 1 . . . . 433 SER H . 16884 1 429 . 1 1 40 40 SER HA H 1 4.52 0.02 . 1 . . . . 433 SER HA . 16884 1 430 . 1 1 40 40 SER HB2 H 1 3.78 0.02 . 2 . . . . 433 SER HB2 . 16884 1 431 . 1 1 40 40 SER HB3 H 1 3.71 0.02 . 2 . . . . 433 SER HB3 . 16884 1 432 . 1 1 40 40 SER C C 13 165.9 0.3 . 1 . . . . 433 SER C . 16884 1 433 . 1 1 40 40 SER CA C 13 52.2 0.3 . 1 . . . . 433 SER CA . 16884 1 434 . 1 1 40 40 SER CB C 13 60.0 0.3 . 1 . . . . 433 SER CB . 16884 1 435 . 1 1 40 40 SER N N 15 113.9 0.3 . 1 . . . . 433 SER N . 16884 1 436 . 1 1 41 41 ALA H H 1 8.01 0.02 . 1 . . . . 434 ALA H . 16884 1 437 . 1 1 41 41 ALA HA H 1 4.97 0.02 . 1 . . . . 434 ALA HA . 16884 1 438 . 1 1 41 41 ALA HB1 H 1 1.14 0.02 . 1 . . . . 434 ALA HB . 16884 1 439 . 1 1 41 41 ALA HB2 H 1 1.14 0.02 . 1 . . . . 434 ALA HB . 16884 1 440 . 1 1 41 41 ALA HB3 H 1 1.14 0.02 . 1 . . . . 434 ALA HB . 16884 1 441 . 1 1 41 41 ALA C C 13 169.5 0.3 . 1 . . . . 434 ALA C . 16884 1 442 . 1 1 41 41 ALA CA C 13 45.9 0.3 . 1 . . . . 434 ALA CA . 16884 1 443 . 1 1 41 41 ALA CB C 13 15.7 0.3 . 1 . . . . 434 ALA CB . 16884 1 444 . 1 1 41 41 ALA N N 15 125.0 0.3 . 1 . . . . 434 ALA N . 16884 1 445 . 1 1 42 42 LYS H H 1 8.53 0.02 . 1 . . . . 435 LYS H . 16884 1 446 . 1 1 42 42 LYS HA H 1 4.54 0.02 . 1 . . . . 435 LYS HA . 16884 1 447 . 1 1 42 42 LYS HB3 H 1 1.41 0.02 . 1 . . . . 435 LYS HB3 . 16884 1 448 . 1 1 42 42 LYS HD2 H 1 1.39 0.02 . 1 . . . . 435 LYS HD2 . 16884 1 449 . 1 1 42 42 LYS HE2 H 1 2.76 0.02 . 1 . . . . 435 LYS HE2 . 16884 1 450 . 1 1 42 42 LYS HG2 H 1 1.00 0.02 . 2 . . . . 435 LYS HG2 . 16884 1 451 . 1 1 42 42 LYS HG3 H 1 0.92 0.02 . 2 . . . . 435 LYS HG3 . 16884 1 452 . 1 1 42 42 LYS C C 13 168.7 0.3 . 1 . . . . 435 LYS C . 16884 1 453 . 1 1 42 42 LYS CA C 13 48.6 0.3 . 1 . . . . 435 LYS CA . 16884 1 454 . 1 1 42 42 LYS CB C 13 31.1 0.3 . 1 . . . . 435 LYS CB . 16884 1 455 . 1 1 42 42 LYS CE C 13 36.3 0.3 . 1 . . . . 435 LYS CE . 16884 1 456 . 1 1 42 42 LYS N N 15 120.8 0.3 . 1 . . . . 435 LYS N . 16884 1 457 . 1 1 43 43 VAL H H 1 8.37 0.02 . 1 . . . . 436 VAL H . 16884 1 458 . 1 1 43 43 VAL HA H 1 4.05 0.02 . 1 . . . . 436 VAL HA . 16884 1 459 . 1 1 43 43 VAL HB H 1 1.84 0.02 . 1 . . . . 436 VAL HB . 16884 1 460 . 1 1 43 43 VAL HG11 H 1 0.91 0.02 . 1 . . . . 436 VAL HG1 . 16884 1 461 . 1 1 43 43 VAL HG12 H 1 0.91 0.02 . 1 . . . . 436 VAL HG1 . 16884 1 462 . 1 1 43 43 VAL HG13 H 1 0.91 0.02 . 1 . . . . 436 VAL HG1 . 16884 1 463 . 1 1 43 43 VAL HG21 H 1 0.76 0.02 . 1 . . . . 436 VAL HG2 . 16884 1 464 . 1 1 43 43 VAL HG22 H 1 0.76 0.02 . 1 . . . . 436 VAL HG2 . 16884 1 465 . 1 1 43 43 VAL HG23 H 1 0.76 0.02 . 1 . . . . 436 VAL HG2 . 16884 1 466 . 1 1 43 43 VAL C C 13 170.0 0.3 . 1 . . . . 436 VAL C . 16884 1 467 . 1 1 43 43 VAL CA C 13 56.3 0.3 . 1 . . . . 436 VAL CA . 16884 1 468 . 1 1 43 43 VAL CB C 13 27.9 0.3 . 1 . . . . 436 VAL CB . 16884 1 469 . 1 1 43 43 VAL CG1 C 13 15.6 0.3 . 1 . . . . 436 VAL CG1 . 16884 1 470 . 1 1 43 43 VAL CG2 C 13 16.8 0.3 . 1 . . . . 436 VAL CG2 . 16884 1 471 . 1 1 43 43 VAL N N 15 122.0 0.3 . 1 . . . . 436 VAL N . 16884 1 472 . 1 1 44 44 PHE H H 1 8.29 0.02 . 1 . . . . 437 PHE H . 16884 1 473 . 1 1 44 44 PHE HA H 1 4.48 0.02 . 1 . . . . 437 PHE HA . 16884 1 474 . 1 1 44 44 PHE HB2 H 1 2.05 0.02 . 2 . . . . 437 PHE HB2 . 16884 1 475 . 1 1 44 44 PHE HB3 H 1 2.09 0.02 . 2 . . . . 437 PHE HB3 . 16884 1 476 . 1 1 44 44 PHE HD1 H 1 6.71 0.02 . 1 . . . . 437 PHE HD1 . 16884 1 477 . 1 1 44 44 PHE HE1 H 1 7.14 0.02 . 1 . . . . 437 PHE HE1 . 16884 1 478 . 1 1 44 44 PHE C C 13 168.4 0.3 . 1 . . . . 437 PHE C . 16884 1 479 . 1 1 44 44 PHE CA C 13 53.2 0.3 . 1 . . . . 437 PHE CA . 16884 1 480 . 1 1 44 44 PHE CB C 13 33.6 0.3 . 1 . . . . 437 PHE CB . 16884 1 481 . 1 1 44 44 PHE CD2 C 13 126.6 0.3 . 1 . . . . 437 PHE CD2 . 16884 1 482 . 1 1 44 44 PHE CE1 C 13 125.3 0.3 . 1 . . . . 437 PHE CE1 . 16884 1 483 . 1 1 44 44 PHE N N 15 126.2 0.3 . 1 . . . . 437 PHE N . 16884 1 484 . 1 1 45 45 ILE H H 1 8.31 0.02 . 1 . . . . 438 ILE H . 16884 1 485 . 1 1 45 45 ILE HA H 1 4.54 0.02 . 1 . . . . 438 ILE HA . 16884 1 486 . 1 1 45 45 ILE HB H 1 1.74 0.02 . 1 . . . . 438 ILE HB . 16884 1 487 . 1 1 45 45 ILE HD11 H 1 0.73 0.02 . 1 . . . . 438 ILE HD1 . 16884 1 488 . 1 1 45 45 ILE HD12 H 1 0.73 0.02 . 1 . . . . 438 ILE HD1 . 16884 1 489 . 1 1 45 45 ILE HD13 H 1 0.73 0.02 . 1 . . . . 438 ILE HD1 . 16884 1 490 . 1 1 45 45 ILE HG13 H 1 1.29 0.02 . 1 . . . . 438 ILE HG13 . 16884 1 491 . 1 1 45 45 ILE HG21 H 1 0.73 0.02 . 1 . . . . 438 ILE HG2 . 16884 1 492 . 1 1 45 45 ILE HG22 H 1 0.73 0.02 . 1 . . . . 438 ILE HG2 . 16884 1 493 . 1 1 45 45 ILE HG23 H 1 0.73 0.02 . 1 . . . . 438 ILE HG2 . 16884 1 494 . 1 1 45 45 ILE C C 13 170.6 0.3 . 1 . . . . 438 ILE C . 16884 1 495 . 1 1 45 45 ILE CA C 13 53.2 0.3 . 1 . . . . 438 ILE CA . 16884 1 496 . 1 1 45 45 ILE CB C 13 34.7 0.3 . 1 . . . . 438 ILE CB . 16884 1 497 . 1 1 45 45 ILE CD1 C 13 5.6 0.3 . 1 . . . . 438 ILE CD1 . 16884 1 498 . 1 1 45 45 ILE CG1 C 13 21.3 0.3 . 1 . . . . 438 ILE CG1 . 16884 1 499 . 1 1 45 45 ILE CG2 C 13 11.5 0.3 . 1 . . . . 438 ILE CG2 . 16884 1 500 . 1 1 45 45 ILE N N 15 121.4 0.3 . 1 . . . . 438 ILE N . 16884 1 501 . 1 1 46 46 ASP H H 1 8.72 0.02 . 1 . . . . 439 ASP H . 16884 1 502 . 1 1 46 46 ASP HA H 1 4.66 0.02 . 1 . . . . 439 ASP HA . 16884 1 503 . 1 1 46 46 ASP HB2 H 1 3.29 0.02 . 2 . . . . 439 ASP HB2 . 16884 1 504 . 1 1 46 46 ASP HB3 H 1 2.50 0.02 . 2 . . . . 439 ASP HB3 . 16884 1 505 . 1 1 46 46 ASP C C 13 171.2 0.3 . 1 . . . . 439 ASP C . 16884 1 506 . 1 1 46 46 ASP CA C 13 48.5 0.3 . 1 . . . . 439 ASP CA . 16884 1 507 . 1 1 46 46 ASP CB C 13 37.1 0.3 . 1 . . . . 439 ASP CB . 16884 1 508 . 1 1 46 46 ASP N N 15 126.3 0.3 . 1 . . . . 439 ASP N . 16884 1 509 . 1 1 47 47 LYS H H 1 8.88 0.02 . 1 . . . . 440 LYS H . 16884 1 510 . 1 1 47 47 LYS HA H 1 4.14 0.02 . 1 . . . . 440 LYS HA . 16884 1 511 . 1 1 47 47 LYS HB3 H 1 1.93 0.02 . 1 . . . . 440 LYS HB3 . 16884 1 512 . 1 1 47 47 LYS HD2 H 1 1.75 0.02 . 1 . . . . 440 LYS HD2 . 16884 1 513 . 1 1 47 47 LYS HE2 H 1 3.05 0.02 . 1 . . . . 440 LYS HE2 . 16884 1 514 . 1 1 47 47 LYS HG2 H 1 1.53 0.02 . 1 . . . . 440 LYS HG2 . 16884 1 515 . 1 1 47 47 LYS C C 13 171.7 0.3 . 1 . . . . 440 LYS C . 16884 1 516 . 1 1 47 47 LYS CA C 13 52.6 0.3 . 1 . . . . 440 LYS CA . 16884 1 517 . 1 1 47 47 LYS CB C 13 26.6 0.3 . 1 . . . . 440 LYS CB . 16884 1 518 . 1 1 47 47 LYS CD C 13 23.4 0.3 . 1 . . . . 440 LYS CD . 16884 1 519 . 1 1 47 47 LYS CE C 13 36.5 0.3 . 1 . . . . 440 LYS CE . 16884 1 520 . 1 1 47 47 LYS CG C 13 19.4 0.3 . 1 . . . . 440 LYS CG . 16884 1 521 . 1 1 47 47 LYS N N 15 127.2 0.3 . 1 . . . . 440 LYS N . 16884 1 522 . 1 1 48 48 GLN H H 1 8.68 0.02 . 1 . . . . 441 GLN H . 16884 1 523 . 1 1 48 48 GLN HA H 1 4.31 0.02 . 1 . . . . 441 GLN HA . 16884 1 524 . 1 1 48 48 GLN HB2 H 1 2.22 0.02 . 2 . . . . 441 GLN HB2 . 16884 1 525 . 1 1 48 48 GLN HB3 H 1 2.27 0.02 . 2 . . . . 441 GLN HB3 . 16884 1 526 . 1 1 48 48 GLN HE21 H 1 6.88 0.02 . 1 . . . . 441 GLN HE21 . 16884 1 527 . 1 1 48 48 GLN HE22 H 1 7.65 0.02 . 1 . . . . 441 GLN HE22 . 16884 1 528 . 1 1 48 48 GLN HG2 H 1 2.39 0.02 . 2 . . . . 441 GLN HG2 . 16884 1 529 . 1 1 48 48 GLN HG3 H 1 2.46 0.02 . 2 . . . . 441 GLN HG3 . 16884 1 530 . 1 1 48 48 GLN C C 13 172.1 0.3 . 1 . . . . 441 GLN C . 16884 1 531 . 1 1 48 48 GLN CA C 13 52.4 0.3 . 1 . . . . 441 GLN CA . 16884 1 532 . 1 1 48 48 GLN CB C 13 23.7 0.3 . 1 . . . . 441 GLN CB . 16884 1 533 . 1 1 48 48 GLN CG C 13 28.9 0.3 . 1 . . . . 441 GLN CG . 16884 1 534 . 1 1 48 48 GLN N N 15 117.2 0.3 . 1 . . . . 441 GLN N . 16884 1 535 . 1 1 48 48 GLN NE2 N 15 112.1 0.3 . 1 . . . . 441 GLN NE2 . 16884 1 536 . 1 1 49 49 THR H H 1 7.83 0.02 . 1 . . . . 442 THR H . 16884 1 537 . 1 1 49 49 THR HA H 1 4.34 0.02 . 1 . . . . 442 THR HA . 16884 1 538 . 1 1 49 49 THR HB H 1 4.34 0.02 . 1 . . . . 442 THR HB . 16884 1 539 . 1 1 49 49 THR HG21 H 1 1.18 0.02 . 1 . . . . 442 THR HG2 . 16884 1 540 . 1 1 49 49 THR HG22 H 1 1.18 0.02 . 1 . . . . 442 THR HG2 . 16884 1 541 . 1 1 49 49 THR HG23 H 1 1.18 0.02 . 1 . . . . 442 THR HG2 . 16884 1 542 . 1 1 49 49 THR C C 13 170.0 0.3 . 1 . . . . 442 THR C . 16884 1 543 . 1 1 49 49 THR CA C 13 56.1 0.3 . 1 . . . . 442 THR CA . 16884 1 544 . 1 1 49 49 THR CB C 13 65.1 0.3 . 1 . . . . 442 THR CB . 16884 1 545 . 1 1 49 49 THR CG2 C 13 18.5 0.3 . 1 . . . . 442 THR CG2 . 16884 1 546 . 1 1 49 49 THR N N 15 107.2 0.3 . 1 . . . . 442 THR N . 16884 1 547 . 1 1 50 50 ASN H H 1 8.50 0.02 . 1 . . . . 443 ASN H . 16884 1 548 . 1 1 50 50 ASN HA H 1 4.36 0.02 . 1 . . . . 443 ASN HA . 16884 1 549 . 1 1 50 50 ASN HB2 H 1 3.12 0.02 . 2 . . . . 443 ASN HB2 . 16884 1 550 . 1 1 50 50 ASN HB3 H 1 2.86 0.02 . 2 . . . . 443 ASN HB3 . 16884 1 551 . 1 1 50 50 ASN HD21 H 1 6.76 0.02 . 1 . . . . 443 ASN HD21 . 16884 1 552 . 1 1 50 50 ASN HD22 H 1 7.47 0.02 . 1 . . . . 443 ASN HD22 . 16884 1 553 . 1 1 50 50 ASN C C 13 168.3 0.3 . 1 . . . . 443 ASN C . 16884 1 554 . 1 1 50 50 ASN CA C 13 49.5 0.3 . 1 . . . . 443 ASN CA . 16884 1 555 . 1 1 50 50 ASN CB C 13 32.5 0.3 . 1 . . . . 443 ASN CB . 16884 1 556 . 1 1 50 50 ASN N N 15 116.9 0.3 . 1 . . . . 443 ASN N . 16884 1 557 . 1 1 50 50 ASN ND2 N 15 112.1 0.3 . 1 . . . . 443 ASN ND2 . 16884 1 558 . 1 1 51 51 LEU H H 1 7.66 0.02 . 1 . . . . 444 LEU H . 16884 1 559 . 1 1 51 51 LEU HA H 1 4.64 0.02 . 1 . . . . 444 LEU HA . 16884 1 560 . 1 1 51 51 LEU HB2 H 1 1.46 0.02 . 2 . . . . 444 LEU HB2 . 16884 1 561 . 1 1 51 51 LEU HB3 H 1 1.72 0.02 . 2 . . . . 444 LEU HB3 . 16884 1 562 . 1 1 51 51 LEU HD21 H 1 0.90 0.02 . 1 . . . . 444 LEU HD2 . 16884 1 563 . 1 1 51 51 LEU HD22 H 1 0.90 0.02 . 1 . . . . 444 LEU HD2 . 16884 1 564 . 1 1 51 51 LEU HD23 H 1 0.90 0.02 . 1 . . . . 444 LEU HD2 . 16884 1 565 . 1 1 51 51 LEU HG H 1 0.92 0.02 . 1 . . . . 444 LEU HG . 16884 1 566 . 1 1 51 51 LEU C C 13 171.6 0.3 . 1 . . . . 444 LEU C . 16884 1 567 . 1 1 51 51 LEU CA C 13 48.1 0.3 . 1 . . . . 444 LEU CA . 16884 1 568 . 1 1 51 51 LEU CB C 13 38.4 0.3 . 1 . . . . 444 LEU CB . 16884 1 569 . 1 1 51 51 LEU CD2 C 13 17.4 0.3 . 1 . . . . 444 LEU CD2 . 16884 1 570 . 1 1 51 51 LEU CG C 13 19.4 0.3 . 1 . . . . 444 LEU CG . 16884 1 571 . 1 1 51 51 LEU N N 15 117.8 0.3 . 1 . . . . 444 LEU N . 16884 1 572 . 1 1 52 52 SER H H 1 8.73 0.02 . 1 . . . . 445 SER H . 16884 1 573 . 1 1 52 52 SER HA H 1 4.54 0.02 . 1 . . . . 445 SER HA . 16884 1 574 . 1 1 52 52 SER HB2 H 1 4.02 0.02 . 2 . . . . 445 SER HB2 . 16884 1 575 . 1 1 52 52 SER HB3 H 1 4.16 0.02 . 2 . . . . 445 SER HB3 . 16884 1 576 . 1 1 52 52 SER C C 13 171.4 0.3 . 1 . . . . 445 SER C . 16884 1 577 . 1 1 52 52 SER CA C 13 52.7 0.3 . 1 . . . . 445 SER CA . 16884 1 578 . 1 1 52 52 SER CB C 13 58.3 0.3 . 1 . . . . 445 SER CB . 16884 1 579 . 1 1 52 52 SER N N 15 115.1 0.3 . 1 . . . . 445 SER N . 16884 1 580 . 1 1 53 53 LYS H H 1 9.21 0.02 . 1 . . . . 446 LYS H . 16884 1 581 . 1 1 53 53 LYS HA H 1 4.58 0.02 . 1 . . . . 446 LYS HA . 16884 1 582 . 1 1 53 53 LYS HB2 H 1 1.67 0.02 . 2 . . . . 446 LYS HB2 . 16884 1 583 . 1 1 53 53 LYS HB3 H 1 1.70 0.02 . 2 . . . . 446 LYS HB3 . 16884 1 584 . 1 1 53 53 LYS C C 13 170.9 0.3 . 1 . . . . 446 LYS C . 16884 1 585 . 1 1 53 53 LYS CA C 13 51.1 0.3 . 1 . . . . 446 LYS CA . 16884 1 586 . 1 1 53 53 LYS CB C 13 27.1 0.3 . 1 . . . . 446 LYS CB . 16884 1 587 . 1 1 53 53 LYS N N 15 125.1 0.3 . 1 . . . . 446 LYS N . 16884 1 588 . 1 1 54 54 CYS H H 1 10.12 0.02 . 1 . . . . 447 CYS H . 16884 1 589 . 1 1 54 54 CYS HB2 H 1 3.53 0.02 . 1 . . . . 447 CYS HB2 . 16884 1 590 . 1 1 54 54 CYS C C 13 167.4 0.3 . 1 . . . . 447 CYS C . 16884 1 591 . 1 1 54 54 CYS CA C 13 55.3 0.3 . 1 . . . . 447 CYS CA . 16884 1 592 . 1 1 54 54 CYS CB C 13 19.6 0.3 . 1 . . . . 447 CYS CB . 16884 1 593 . 1 1 54 54 CYS N N 15 113.0 0.3 . 1 . . . . 447 CYS N . 16884 1 594 . 1 1 55 55 PHE H H 1 7.76 0.02 . 1 . . . . 448 PHE H . 16884 1 595 . 1 1 55 55 PHE HA H 1 5.43 0.02 . 1 . . . . 448 PHE HA . 16884 1 596 . 1 1 55 55 PHE HB3 H 1 3.28 0.02 . 1 . . . . 448 PHE HB3 . 16884 1 597 . 1 1 55 55 PHE HD1 H 1 7.04 0.02 . 1 . . . . 448 PHE HD1 . 16884 1 598 . 1 1 55 55 PHE HE1 H 1 6.95 0.02 . 1 . . . . 448 PHE HE1 . 16884 1 599 . 1 1 55 55 PHE C C 13 167.2 0.3 . 1 . . . . 448 PHE C . 16884 1 600 . 1 1 55 55 PHE CA C 13 49.7 0.3 . 1 . . . . 448 PHE CA . 16884 1 601 . 1 1 55 55 PHE CB C 13 37.0 0.3 . 1 . . . . 448 PHE CB . 16884 1 602 . 1 1 55 55 PHE CD2 C 13 127.1 0.3 . 1 . . . . 448 PHE CD2 . 16884 1 603 . 1 1 55 55 PHE CE1 C 13 125.9 0.3 . 1 . . . . 448 PHE CE1 . 16884 1 604 . 1 1 55 55 PHE N N 15 115.1 0.3 . 1 . . . . 448 PHE N . 16884 1 605 . 1 1 56 56 GLY H H 1 9.31 0.02 . 1 . . . . 449 GLY H . 16884 1 606 . 1 1 56 56 GLY HA2 H 1 4.53 0.02 . 2 . . . . 449 GLY HA2 . 16884 1 607 . 1 1 56 56 GLY HA3 H 1 3.67 0.02 . 2 . . . . 449 GLY HA3 . 16884 1 608 . 1 1 56 56 GLY C C 13 165.0 0.3 . 1 . . . . 449 GLY C . 16884 1 609 . 1 1 56 56 GLY CA C 13 40.1 0.3 . 1 . . . . 449 GLY CA . 16884 1 610 . 1 1 56 56 GLY N N 15 107.8 0.3 . 1 . . . . 449 GLY N . 16884 1 611 . 1 1 57 57 PHE H H 1 8.76 0.02 . 1 . . . . 450 PHE H . 16884 1 612 . 1 1 57 57 PHE HA H 1 5.51 0.02 . 1 . . . . 450 PHE HA . 16884 1 613 . 1 1 57 57 PHE HB2 H 1 3.00 0.02 . 2 . . . . 450 PHE HB2 . 16884 1 614 . 1 1 57 57 PHE HB3 H 1 2.61 0.02 . 2 . . . . 450 PHE HB3 . 16884 1 615 . 1 1 57 57 PHE HD1 H 1 6.71 0.02 . 1 . . . . 450 PHE HD1 . 16884 1 616 . 1 1 57 57 PHE HE1 H 1 7.13 0.02 . 1 . . . . 450 PHE HE1 . 16884 1 617 . 1 1 57 57 PHE C C 13 167.7 0.3 . 1 . . . . 450 PHE C . 16884 1 618 . 1 1 57 57 PHE CA C 13 49.9 0.3 . 1 . . . . 450 PHE CA . 16884 1 619 . 1 1 57 57 PHE CB C 13 38.5 0.3 . 1 . . . . 450 PHE CB . 16884 1 620 . 1 1 57 57 PHE CD2 C 13 126.5 0.3 . 1 . . . . 450 PHE CD2 . 16884 1 621 . 1 1 57 57 PHE CE1 C 13 125.2 0.3 . 1 . . . . 450 PHE CE1 . 16884 1 622 . 1 1 57 57 PHE N N 15 119.8 0.3 . 1 . . . . 450 PHE N . 16884 1 623 . 1 1 58 58 VAL H H 1 7.93 0.02 . 1 . . . . 451 VAL H . 16884 1 624 . 1 1 58 58 VAL HA H 1 4.34 0.02 . 1 . . . . 451 VAL HA . 16884 1 625 . 1 1 58 58 VAL HB H 1 1.04 0.02 . 1 . . . . 451 VAL HB . 16884 1 626 . 1 1 58 58 VAL HG11 H 1 0.18 0.02 . 1 . . . . 451 VAL HG1 . 16884 1 627 . 1 1 58 58 VAL HG12 H 1 0.18 0.02 . 1 . . . . 451 VAL HG1 . 16884 1 628 . 1 1 58 58 VAL HG13 H 1 0.18 0.02 . 1 . . . . 451 VAL HG1 . 16884 1 629 . 1 1 58 58 VAL HG21 H 1 0.19 0.02 . 1 . . . . 451 VAL HG2 . 16884 1 630 . 1 1 58 58 VAL HG22 H 1 0.19 0.02 . 1 . . . . 451 VAL HG2 . 16884 1 631 . 1 1 58 58 VAL HG23 H 1 0.19 0.02 . 1 . . . . 451 VAL HG2 . 16884 1 632 . 1 1 58 58 VAL C C 13 167.2 0.3 . 1 . . . . 451 VAL C . 16884 1 633 . 1 1 58 58 VAL CA C 13 54.6 0.3 . 1 . . . . 451 VAL CA . 16884 1 634 . 1 1 58 58 VAL CB C 13 31.0 0.3 . 1 . . . . 451 VAL CB . 16884 1 635 . 1 1 58 58 VAL CG1 C 13 15.4 0.3 . 1 . . . . 451 VAL CG1 . 16884 1 636 . 1 1 58 58 VAL CG2 C 13 16.3 0.3 . 1 . . . . 451 VAL CG2 . 16884 1 637 . 1 1 58 58 VAL N N 15 123.6 0.3 . 1 . . . . 451 VAL N . 16884 1 638 . 1 1 59 59 SER H H 1 8.52 0.02 . 1 . . . . 452 SER H . 16884 1 639 . 1 1 59 59 SER HA H 1 5.20 0.02 . 1 . . . . 452 SER HA . 16884 1 640 . 1 1 59 59 SER HB2 H 1 3.68 0.02 . 2 . . . . 452 SER HB2 . 16884 1 641 . 1 1 59 59 SER HB3 H 1 3.95 0.02 . 2 . . . . 452 SER HB3 . 16884 1 642 . 1 1 59 59 SER C C 13 168.1 0.3 . 1 . . . . 452 SER C . 16884 1 643 . 1 1 59 59 SER CA C 13 50.4 0.3 . 1 . . . . 452 SER CA . 16884 1 644 . 1 1 59 59 SER CB C 13 61.0 0.3 . 1 . . . . 452 SER CB . 16884 1 645 . 1 1 59 59 SER N N 15 119.4 0.3 . 1 . . . . 452 SER N . 16884 1 646 . 1 1 60 60 TYR H H 1 8.42 0.02 . 1 . . . . 453 TYR H . 16884 1 647 . 1 1 60 60 TYR HA H 1 5.46 0.02 . 1 . . . . 453 TYR HA . 16884 1 648 . 1 1 60 60 TYR HB2 H 1 3.41 0.02 . 2 . . . . 453 TYR HB2 . 16884 1 649 . 1 1 60 60 TYR HB3 H 1 2.84 0.02 . 2 . . . . 453 TYR HB3 . 16884 1 650 . 1 1 60 60 TYR HD1 H 1 6.78 0.02 . 1 . . . . 453 TYR HD1 . 16884 1 651 . 1 1 60 60 TYR HE1 H 1 6.52 0.02 . 1 . . . . 453 TYR HE1 . 16884 1 652 . 1 1 60 60 TYR C C 13 168.5 0.3 . 1 . . . . 453 TYR C . 16884 1 653 . 1 1 60 60 TYR CA C 13 51.3 0.3 . 1 . . . . 453 TYR CA . 16884 1 654 . 1 1 60 60 TYR CB C 13 37.3 0.3 . 1 . . . . 453 TYR CB . 16884 1 655 . 1 1 60 60 TYR CD2 C 13 126.7 0.3 . 1 . . . . 453 TYR CD2 . 16884 1 656 . 1 1 60 60 TYR CE1 C 13 112.6 0.3 . 1 . . . . 453 TYR CE1 . 16884 1 657 . 1 1 60 60 TYR N N 15 121.1 0.3 . 1 . . . . 453 TYR N . 16884 1 658 . 1 1 61 61 ASP H H 1 7.82 0.02 . 1 . . . . 454 ASP H . 16884 1 659 . 1 1 61 61 ASP HA H 1 4.57 0.02 . 1 . . . . 454 ASP HA . 16884 1 660 . 1 1 61 61 ASP HB2 H 1 2.52 0.02 . 2 . . . . 454 ASP HB2 . 16884 1 661 . 1 1 61 61 ASP HB3 H 1 3.25 0.02 . 2 . . . . 454 ASP HB3 . 16884 1 662 . 1 1 61 61 ASP C C 13 171.0 0.3 . 1 . . . . 454 ASP C . 16884 1 663 . 1 1 61 61 ASP CA C 13 47.7 0.3 . 1 . . . . 454 ASP CA . 16884 1 664 . 1 1 61 61 ASP CB C 13 35.3 0.3 . 1 . . . . 454 ASP CB . 16884 1 665 . 1 1 61 61 ASP N N 15 113.0 0.3 . 1 . . . . 454 ASP N . 16884 1 666 . 1 1 62 62 ASN H H 1 7.20 0.02 . 1 . . . . 455 ASN H . 16884 1 667 . 1 1 62 62 ASN HA H 1 5.14 0.02 . 1 . . . . 455 ASN HA . 16884 1 668 . 1 1 62 62 ASN HB2 H 1 2.96 0.02 . 2 . . . . 455 ASN HB2 . 16884 1 669 . 1 1 62 62 ASN HB3 H 1 2.89 0.02 . 2 . . . . 455 ASN HB3 . 16884 1 670 . 1 1 62 62 ASN HD21 H 1 7.26 0.02 . 1 . . . . 455 ASN HD21 . 16884 1 671 . 1 1 62 62 ASN HD22 H 1 7.98 0.02 . 1 . . . . 455 ASN HD22 . 16884 1 672 . 1 1 62 62 ASN C C 13 168.0 0.3 . 1 . . . . 455 ASN C . 16884 1 673 . 1 1 62 62 ASN CA C 13 45.5 0.3 . 1 . . . . 455 ASN CA . 16884 1 674 . 1 1 62 62 ASN CB C 13 36.0 0.3 . 1 . . . . 455 ASN CB . 16884 1 675 . 1 1 62 62 ASN N N 15 114.1 0.3 . 1 . . . . 455 ASN N . 16884 1 676 . 1 1 62 62 ASN ND2 N 15 114.6 0.3 . 1 . . . . 455 ASN ND2 . 16884 1 677 . 1 1 63 63 PRO HA H 1 4.25 0.02 . 1 . . . . 456 PRO HA . 16884 1 678 . 1 1 63 63 PRO HB2 H 1 2.12 0.02 . 2 . . . . 456 PRO HB2 . 16884 1 679 . 1 1 63 63 PRO HB3 H 1 2.29 0.02 . 2 . . . . 456 PRO HB3 . 16884 1 680 . 1 1 63 63 PRO HD2 H 1 3.60 0.02 . 2 . . . . 456 PRO HD2 . 16884 1 681 . 1 1 63 63 PRO HD3 H 1 4.08 0.02 . 2 . . . . 456 PRO HD3 . 16884 1 682 . 1 1 63 63 PRO HG2 H 1 2.29 0.02 . 1 . . . . 456 PRO HG2 . 16884 1 683 . 1 1 63 63 PRO C C 13 172.2 0.3 . 1 . . . . 456 PRO C . 16884 1 684 . 1 1 63 63 PRO CA C 13 59.1 0.3 . 1 . . . . 456 PRO CA . 16884 1 685 . 1 1 63 63 PRO CB C 13 27.2 0.3 . 1 . . . . 456 PRO CB . 16884 1 686 . 1 1 63 63 PRO CD C 13 45.1 0.3 . 1 . . . . 456 PRO CD . 16884 1 687 . 1 1 63 63 PRO CG C 13 21.8 0.3 . 1 . . . . 456 PRO CG . 16884 1 688 . 1 1 64 64 VAL H H 1 8.13 0.02 . 1 . . . . 457 VAL H . 16884 1 689 . 1 1 64 64 VAL HA H 1 3.70 0.02 . 1 . . . . 457 VAL HA . 16884 1 690 . 1 1 64 64 VAL HB H 1 2.09 0.02 . 1 . . . . 457 VAL HB . 16884 1 691 . 1 1 64 64 VAL HG21 H 1 1.05 0.02 . 1 . . . . 457 VAL HG2 . 16884 1 692 . 1 1 64 64 VAL HG22 H 1 1.05 0.02 . 1 . . . . 457 VAL HG2 . 16884 1 693 . 1 1 64 64 VAL HG23 H 1 1.05 0.02 . 1 . . . . 457 VAL HG2 . 16884 1 694 . 1 1 64 64 VAL C C 13 173.9 0.3 . 1 . . . . 457 VAL C . 16884 1 695 . 1 1 64 64 VAL CA C 13 60.8 0.3 . 1 . . . . 457 VAL CA . 16884 1 696 . 1 1 64 64 VAL CB C 13 25.7 0.3 . 1 . . . . 457 VAL CB . 16884 1 697 . 1 1 64 64 VAL CG2 C 13 16.7 0.3 . 1 . . . . 457 VAL CG2 . 16884 1 698 . 1 1 64 64 VAL N N 15 120.7 0.3 . 1 . . . . 457 VAL N . 16884 1 699 . 1 1 65 65 SER H H 1 7.80 0.02 . 1 . . . . 458 SER H . 16884 1 700 . 1 1 65 65 SER HA H 1 4.01 0.02 . 1 . . . . 458 SER HA . 16884 1 701 . 1 1 65 65 SER HB2 H 1 2.88 0.02 . 2 . . . . 458 SER HB2 . 16884 1 702 . 1 1 65 65 SER HB3 H 1 3.25 0.02 . 2 . . . . 458 SER HB3 . 16884 1 703 . 1 1 65 65 SER C C 13 168.5 0.3 . 1 . . . . 458 SER C . 16884 1 704 . 1 1 65 65 SER CA C 13 55.9 0.3 . 1 . . . . 458 SER CA . 16884 1 705 . 1 1 65 65 SER CB C 13 57.2 0.3 . 1 . . . . 458 SER CB . 16884 1 706 . 1 1 65 65 SER N N 15 117.7 0.3 . 1 . . . . 458 SER N . 16884 1 707 . 1 1 66 66 ALA H H 1 6.39 0.02 . 1 . . . . 459 ALA H . 16884 1 708 . 1 1 66 66 ALA HA H 1 3.81 0.02 . 1 . . . . 459 ALA HA . 16884 1 709 . 1 1 66 66 ALA HB1 H 1 1.55 0.02 . 1 . . . . 459 ALA HB . 16884 1 710 . 1 1 66 66 ALA HB2 H 1 1.55 0.02 . 1 . . . . 459 ALA HB . 16884 1 711 . 1 1 66 66 ALA HB3 H 1 1.55 0.02 . 1 . . . . 459 ALA HB . 16884 1 712 . 1 1 66 66 ALA C C 13 173.0 0.3 . 1 . . . . 459 ALA C . 16884 1 713 . 1 1 66 66 ALA CA C 13 49.3 0.3 . 1 . . . . 459 ALA CA . 16884 1 714 . 1 1 66 66 ALA CB C 13 12.7 0.3 . 1 . . . . 459 ALA CB . 16884 1 715 . 1 1 66 66 ALA N N 15 120.1 0.3 . 1 . . . . 459 ALA N . 16884 1 716 . 1 1 67 67 GLN H H 1 7.75 0.02 . 1 . . . . 460 GLN H . 16884 1 717 . 1 1 67 67 GLN HA H 1 3.91 0.02 . 1 . . . . 460 GLN HA . 16884 1 718 . 1 1 67 67 GLN HB3 H 1 2.18 0.02 . 1 . . . . 460 GLN HB3 . 16884 1 719 . 1 1 67 67 GLN HE21 H 1 6.92 0.02 . 1 . . . . 460 GLN HE21 . 16884 1 720 . 1 1 67 67 GLN HE22 H 1 7.65 0.02 . 1 . . . . 460 GLN HE22 . 16884 1 721 . 1 1 67 67 GLN HG2 H 1 2.51 0.02 . 1 . . . . 460 GLN HG2 . 16884 1 722 . 1 1 67 67 GLN C C 13 172.9 0.3 . 1 . . . . 460 GLN C . 16884 1 723 . 1 1 67 67 GLN CA C 13 53.1 0.3 . 1 . . . . 460 GLN CA . 16884 1 724 . 1 1 67 67 GLN CB C 13 22.3 0.3 . 1 . . . . 460 GLN CB . 16884 1 725 . 1 1 67 67 GLN CG C 13 27.8 0.3 . 1 . . . . 460 GLN CG . 16884 1 726 . 1 1 67 67 GLN N N 15 115.9 0.3 . 1 . . . . 460 GLN N . 16884 1 727 . 1 1 67 67 GLN NE2 N 15 111.7 0.3 . 1 . . . . 460 GLN NE2 . 16884 1 728 . 1 1 68 68 ALA H H 1 7.84 0.02 . 1 . . . . 461 ALA H . 16884 1 729 . 1 1 68 68 ALA HA H 1 4.03 0.02 . 1 . . . . 461 ALA HA . 16884 1 730 . 1 1 68 68 ALA HB1 H 1 1.60 0.02 . 1 . . . . 461 ALA HB . 16884 1 731 . 1 1 68 68 ALA HB2 H 1 1.60 0.02 . 1 . . . . 461 ALA HB . 16884 1 732 . 1 1 68 68 ALA HB3 H 1 1.60 0.02 . 1 . . . . 461 ALA HB . 16884 1 733 . 1 1 68 68 ALA C C 13 174.4 0.3 . 1 . . . . 461 ALA C . 16884 1 734 . 1 1 68 68 ALA CA C 13 49.3 0.3 . 1 . . . . 461 ALA CA . 16884 1 735 . 1 1 68 68 ALA CB C 13 12.4 0.3 . 1 . . . . 461 ALA CB . 16884 1 736 . 1 1 68 68 ALA N N 15 122.8 0.3 . 1 . . . . 461 ALA N . 16884 1 737 . 1 1 69 69 ALA H H 1 7.86 0.02 . 1 . . . . 462 ALA H . 16884 1 738 . 1 1 69 69 ALA HA H 1 4.0 0.02 . 1 . . . . 462 ALA HA . 16884 1 739 . 1 1 69 69 ALA HB1 H 1 1.47 0.02 . 1 . . . . 462 ALA HB . 16884 1 740 . 1 1 69 69 ALA HB2 H 1 1.47 0.02 . 1 . . . . 462 ALA HB . 16884 1 741 . 1 1 69 69 ALA HB3 H 1 1.47 0.02 . 1 . . . . 462 ALA HB . 16884 1 742 . 1 1 69 69 ALA C C 13 174.3 0.3 . 1 . . . . 462 ALA C . 16884 1 743 . 1 1 69 69 ALA CA C 13 49.0 0.3 . 1 . . . . 462 ALA CA . 16884 1 744 . 1 1 69 69 ALA CB C 13 13.5 0.3 . 1 . . . . 462 ALA CB . 16884 1 745 . 1 1 69 69 ALA N N 15 121.5 0.3 . 1 . . . . 462 ALA N . 16884 1 746 . 1 1 70 70 ILE H H 1 8.11 0.02 . 1 . . . . 463 ILE H . 16884 1 747 . 1 1 70 70 ILE HA H 1 3.32 0.02 . 1 . . . . 463 ILE HA . 16884 1 748 . 1 1 70 70 ILE HB H 1 1.82 0.02 . 1 . . . . 463 ILE HB . 16884 1 749 . 1 1 70 70 ILE HD11 H 1 0.82 0.02 . 1 . . . . 463 ILE HD1 . 16884 1 750 . 1 1 70 70 ILE HD12 H 1 0.82 0.02 . 1 . . . . 463 ILE HD1 . 16884 1 751 . 1 1 70 70 ILE HD13 H 1 0.82 0.02 . 1 . . . . 463 ILE HD1 . 16884 1 752 . 1 1 70 70 ILE HG13 H 1 0.72 0.02 . 1 . . . . 463 ILE HG13 . 16884 1 753 . 1 1 70 70 ILE HG21 H 1 0.96 0.02 . 1 . . . . 463 ILE HG2 . 16884 1 754 . 1 1 70 70 ILE HG22 H 1 0.96 0.02 . 1 . . . . 463 ILE HG2 . 16884 1 755 . 1 1 70 70 ILE HG23 H 1 0.96 0.02 . 1 . . . . 463 ILE HG2 . 16884 1 756 . 1 1 70 70 ILE C C 13 172.3 0.3 . 1 . . . . 463 ILE C . 16884 1 757 . 1 1 70 70 ILE CA C 13 60.8 0.3 . 1 . . . . 463 ILE CA . 16884 1 758 . 1 1 70 70 ILE CB C 13 32.9 0.3 . 1 . . . . 463 ILE CB . 16884 1 759 . 1 1 70 70 ILE CD1 C 13 8.5 0.3 . 1 . . . . 463 ILE CD1 . 16884 1 760 . 1 1 70 70 ILE CG1 C 13 24.7 0.3 . 1 . . . . 463 ILE CG1 . 16884 1 761 . 1 1 70 70 ILE CG2 C 13 11.9 0.3 . 1 . . . . 463 ILE CG2 . 16884 1 762 . 1 1 70 70 ILE N N 15 118.5 0.3 . 1 . . . . 463 ILE N . 16884 1 763 . 1 1 71 71 GLN H H 1 7.75 0.02 . 1 . . . . 464 GLN H . 16884 1 764 . 1 1 71 71 GLN HA H 1 3.95 0.02 . 1 . . . . 464 GLN HA . 16884 1 765 . 1 1 71 71 GLN HB3 H 1 2.11 0.02 . 1 . . . . 464 GLN HB3 . 16884 1 766 . 1 1 71 71 GLN HE21 H 1 6.88 0.02 . 1 . . . . 464 GLN HE21 . 16884 1 767 . 1 1 71 71 GLN HE22 H 1 7.48 0.02 . 1 . . . . 464 GLN HE22 . 16884 1 768 . 1 1 71 71 GLN HG2 H 1 2.51 0.02 . 1 . . . . 464 GLN HG2 . 16884 1 769 . 1 1 71 71 GLN C C 13 172.6 0.3 . 1 . . . . 464 GLN C . 16884 1 770 . 1 1 71 71 GLN CA C 13 53.1 0.3 . 1 . . . . 464 GLN CA . 16884 1 771 . 1 1 71 71 GLN CB C 13 22.8 0.3 . 1 . . . . 464 GLN CB . 16884 1 772 . 1 1 71 71 GLN CG C 13 27.9 0.3 . 1 . . . . 464 GLN CG . 16884 1 773 . 1 1 71 71 GLN N N 15 116.8 0.3 . 1 . . . . 464 GLN N . 16884 1 774 . 1 1 71 71 GLN NE2 N 15 111.9 0.3 . 1 . . . . 464 GLN NE2 . 16884 1 775 . 1 1 72 72 ALA H H 1 7.52 0.02 . 1 . . . . 465 ALA H . 16884 1 776 . 1 1 72 72 ALA HA H 1 4.29 0.02 . 1 . . . . 465 ALA HA . 16884 1 777 . 1 1 72 72 ALA HB1 H 1 1.27 0.02 . 1 . . . . 465 ALA HB . 16884 1 778 . 1 1 72 72 ALA HB2 H 1 1.27 0.02 . 1 . . . . 465 ALA HB . 16884 1 779 . 1 1 72 72 ALA HB3 H 1 1.27 0.02 . 1 . . . . 465 ALA HB . 16884 1 780 . 1 1 72 72 ALA C C 13 174.1 0.3 . 1 . . . . 465 ALA C . 16884 1 781 . 1 1 72 72 ALA CA C 13 48.6 0.3 . 1 . . . . 465 ALA CA . 16884 1 782 . 1 1 72 72 ALA CB C 13 15.9 0.3 . 1 . . . . 465 ALA CB . 16884 1 783 . 1 1 72 72 ALA N N 15 117.2 0.3 . 1 . . . . 465 ALA N . 16884 1 784 . 1 1 73 73 MET H H 1 8.27 0.02 . 1 . . . . 466 MET H . 16884 1 785 . 1 1 73 73 MET HA H 1 4.91 0.02 . 1 . . . . 466 MET HA . 16884 1 786 . 1 1 73 73 MET HB2 H 1 1.89 0.02 . 1 . . . . 466 MET HB2 . 16884 1 787 . 1 1 73 73 MET HG2 H 1 2.10 0.02 . 1 . . . . 466 MET HG2 . 16884 1 788 . 1 1 73 73 MET C C 13 172.4 0.3 . 1 . . . . 466 MET C . 16884 1 789 . 1 1 73 73 MET CA C 13 48.3 0.3 . 1 . . . . 466 MET CA . 16884 1 790 . 1 1 73 73 MET CB C 13 26.5 0.3 . 1 . . . . 466 MET CB . 16884 1 791 . 1 1 73 73 MET CG C 13 26.5 0.3 . 1 . . . . 466 MET CG . 16884 1 792 . 1 1 73 73 MET N N 15 111.1 0.3 . 1 . . . . 466 MET N . 16884 1 793 . 1 1 74 74 ASN H H 1 8.51 0.02 . 1 . . . . 467 ASN H . 16884 1 794 . 1 1 74 74 ASN HA H 1 4.57 0.02 . 1 . . . . 467 ASN HA . 16884 1 795 . 1 1 74 74 ASN HB2 H 1 3.14 0.02 . 2 . . . . 467 ASN HB2 . 16884 1 796 . 1 1 74 74 ASN HB3 H 1 3.01 0.02 . 2 . . . . 467 ASN HB3 . 16884 1 797 . 1 1 74 74 ASN HD21 H 1 7.07 0.02 . 1 . . . . 467 ASN HD21 . 16884 1 798 . 1 1 74 74 ASN HD22 H 1 7.89 0.02 . 1 . . . . 467 ASN HD22 . 16884 1 799 . 1 1 74 74 ASN C C 13 171.2 0.3 . 1 . . . . 467 ASN C . 16884 1 800 . 1 1 74 74 ASN CA C 13 51.0 0.3 . 1 . . . . 467 ASN CA . 16884 1 801 . 1 1 74 74 ASN CB C 13 33.1 0.3 . 1 . . . . 467 ASN CB . 16884 1 802 . 1 1 74 74 ASN N N 15 118.9 0.3 . 1 . . . . 467 ASN N . 16884 1 803 . 1 1 74 74 ASN ND2 N 15 114.5 0.3 . 1 . . . . 467 ASN ND2 . 16884 1 804 . 1 1 75 75 GLY H H 1 9.00 0.02 . 1 . . . . 468 GLY H . 16884 1 805 . 1 1 75 75 GLY HA2 H 1 4.41 0.02 . 2 . . . . 468 GLY HA2 . 16884 1 806 . 1 1 75 75 GLY HA3 H 1 3.68 0.02 . 2 . . . . 468 GLY HA3 . 16884 1 807 . 1 1 75 75 GLY C C 13 167.7 0.3 . 1 . . . . 468 GLY C . 16884 1 808 . 1 1 75 75 GLY CA C 13 40.1 0.3 . 1 . . . . 468 GLY CA . 16884 1 809 . 1 1 75 75 GLY N N 15 118.1 0.3 . 1 . . . . 468 GLY N . 16884 1 810 . 1 1 76 76 PHE H H 1 7.97 0.02 . 1 . . . . 469 PHE H . 16884 1 811 . 1 1 76 76 PHE HA H 1 4.28 0.02 . 1 . . . . 469 PHE HA . 16884 1 812 . 1 1 76 76 PHE HB2 H 1 3.03 0.02 . 2 . . . . 469 PHE HB2 . 16884 1 813 . 1 1 76 76 PHE HB3 H 1 3.38 0.02 . 2 . . . . 469 PHE HB3 . 16884 1 814 . 1 1 76 76 PHE HD1 H 1 7.16 0.02 . 1 . . . . 469 PHE HD1 . 16884 1 815 . 1 1 76 76 PHE HE1 H 1 7.34 0.02 . 1 . . . . 469 PHE HE1 . 16884 1 816 . 1 1 76 76 PHE C C 13 169.3 0.3 . 1 . . . . 469 PHE C . 16884 1 817 . 1 1 76 76 PHE CA C 13 53.7 0.3 . 1 . . . . 469 PHE CA . 16884 1 818 . 1 1 76 76 PHE CB C 13 35.5 0.3 . 1 . . . . 469 PHE CB . 16884 1 819 . 1 1 76 76 PHE CD2 C 13 126.5 0.3 . 1 . . . . 469 PHE CD2 . 16884 1 820 . 1 1 76 76 PHE CE1 C 13 125.7 0.3 . 1 . . . . 469 PHE CE1 . 16884 1 821 . 1 1 76 76 PHE N N 15 123.3 0.3 . 1 . . . . 469 PHE N . 16884 1 822 . 1 1 77 77 GLN H H 1 8.04 0.02 . 1 . . . . 470 GLN H . 16884 1 823 . 1 1 77 77 GLN HA H 1 4.67 0.02 . 1 . . . . 470 GLN HA . 16884 1 824 . 1 1 77 77 GLN HB2 H 1 2.17 0.02 . 2 . . . . 470 GLN HB2 . 16884 1 825 . 1 1 77 77 GLN HB3 H 1 2.07 0.02 . 2 . . . . 470 GLN HB3 . 16884 1 826 . 1 1 77 77 GLN HE21 H 1 6.70 0.02 . 1 . . . . 470 GLN HE21 . 16884 1 827 . 1 1 77 77 GLN HE22 H 1 7.33 0.02 . 1 . . . . 470 GLN HE22 . 16884 1 828 . 1 1 77 77 GLN HG2 H 1 2.12 0.02 . 1 . . . . 470 GLN HG2 . 16884 1 829 . 1 1 77 77 GLN C C 13 169.0 0.3 . 1 . . . . 470 GLN C . 16884 1 830 . 1 1 77 77 GLN CA C 13 50.4 0.3 . 1 . . . . 470 GLN CA . 16884 1 831 . 1 1 77 77 GLN CB C 13 23.5 0.3 . 1 . . . . 470 GLN CB . 16884 1 832 . 1 1 77 77 GLN CG C 13 27.9 0.3 . 1 . . . . 470 GLN CG . 16884 1 833 . 1 1 77 77 GLN N N 15 128.5 0.3 . 1 . . . . 470 GLN N . 16884 1 834 . 1 1 77 77 GLN NE2 N 15 111.5 0.3 . 1 . . . . 470 GLN NE2 . 16884 1 835 . 1 1 78 78 ILE H H 1 8.53 0.02 . 1 . . . . 471 ILE H . 16884 1 836 . 1 1 78 78 ILE HA H 1 4.23 0.02 . 1 . . . . 471 ILE HA . 16884 1 837 . 1 1 78 78 ILE HB H 1 1.75 0.02 . 1 . . . . 471 ILE HB . 16884 1 838 . 1 1 78 78 ILE HD11 H 1 0.98 0.02 . 1 . . . . 471 ILE HD1 . 16884 1 839 . 1 1 78 78 ILE HD12 H 1 0.98 0.02 . 1 . . . . 471 ILE HD1 . 16884 1 840 . 1 1 78 78 ILE HD13 H 1 0.98 0.02 . 1 . . . . 471 ILE HD1 . 16884 1 841 . 1 1 78 78 ILE HG13 H 1 1.13 0.02 . 1 . . . . 471 ILE HG13 . 16884 1 842 . 1 1 78 78 ILE HG21 H 1 0.91 0.02 . 1 . . . . 471 ILE HG2 . 16884 1 843 . 1 1 78 78 ILE HG22 H 1 0.91 0.02 . 1 . . . . 471 ILE HG2 . 16884 1 844 . 1 1 78 78 ILE HG23 H 1 0.91 0.02 . 1 . . . . 471 ILE HG2 . 16884 1 845 . 1 1 78 78 ILE C C 13 170.2 0.3 . 1 . . . . 471 ILE C . 16884 1 846 . 1 1 78 78 ILE CA C 13 54.5 0.3 . 1 . . . . 471 ILE CA . 16884 1 847 . 1 1 78 78 ILE CB C 13 34.1 0.3 . 1 . . . . 471 ILE CB . 16884 1 848 . 1 1 78 78 ILE CD1 C 13 9.2 0.3 . 1 . . . . 471 ILE CD1 . 16884 1 849 . 1 1 78 78 ILE CG1 C 13 22.1 0.3 . 1 . . . . 471 ILE CG1 . 16884 1 850 . 1 1 78 78 ILE CG2 C 13 11.6 0.3 . 1 . . . . 471 ILE CG2 . 16884 1 851 . 1 1 78 78 ILE N N 15 126.3 0.3 . 1 . . . . 471 ILE N . 16884 1 852 . 1 1 79 79 GLY H H 1 8.96 0.02 . 1 . . . . 472 GLY H . 16884 1 853 . 1 1 79 79 GLY HA2 H 1 3.95 0.02 . 2 . . . . 472 GLY HA2 . 16884 1 854 . 1 1 79 79 GLY HA3 H 1 3.67 0.02 . 2 . . . . 472 GLY HA3 . 16884 1 855 . 1 1 79 79 GLY C C 13 169.6 0.3 . 1 . . . . 472 GLY C . 16884 1 856 . 1 1 79 79 GLY CA C 13 41.4 0.3 . 1 . . . . 472 GLY CA . 16884 1 857 . 1 1 79 79 GLY N N 15 117.5 0.3 . 1 . . . . 472 GLY N . 16884 1 858 . 1 1 80 80 MET H H 1 8.95 0.02 . 1 . . . . 473 MET H . 16884 1 859 . 1 1 80 80 MET HA H 1 4.46 0.02 . 1 . . . . 473 MET HA . 16884 1 860 . 1 1 80 80 MET HB2 H 1 2.02 0.02 . 2 . . . . 473 MET HB2 . 16884 1 861 . 1 1 80 80 MET HB3 H 1 2.30 0.02 . 2 . . . . 473 MET HB3 . 16884 1 862 . 1 1 80 80 MET HG2 H 1 2.54 0.02 . 2 . . . . 473 MET HG2 . 16884 1 863 . 1 1 80 80 MET HG3 H 1 2.67 0.02 . 2 . . . . 473 MET HG3 . 16884 1 864 . 1 1 80 80 MET C C 13 170.6 0.3 . 1 . . . . 473 MET C . 16884 1 865 . 1 1 80 80 MET CA C 13 49.9 0.3 . 1 . . . . 473 MET CA . 16884 1 866 . 1 1 80 80 MET CB C 13 26.6 0.3 . 1 . . . . 473 MET CB . 16884 1 867 . 1 1 80 80 MET CG C 13 26.7 0.3 . 1 . . . . 473 MET CG . 16884 1 868 . 1 1 80 80 MET N N 15 123.3 0.3 . 1 . . . . 473 MET N . 16884 1 869 . 1 1 81 81 LYS H H 1 7.91 0.02 . 1 . . . . 474 LYS H . 16884 1 870 . 1 1 81 81 LYS HA H 1 4.56 0.02 . 1 . . . . 474 LYS HA . 16884 1 871 . 1 1 81 81 LYS HB2 H 1 1.90 0.02 . 2 . . . . 474 LYS HB2 . 16884 1 872 . 1 1 81 81 LYS HB3 H 1 1.95 0.02 . 2 . . . . 474 LYS HB3 . 16884 1 873 . 1 1 81 81 LYS HD2 H 1 1.45 0.02 . 1 . . . . 474 LYS HD2 . 16884 1 874 . 1 1 81 81 LYS HE2 H 1 2.89 0.02 . 1 . . . . 474 LYS HE2 . 16884 1 875 . 1 1 81 81 LYS HG2 H 1 1.31 0.02 . 2 . . . . 474 LYS HG2 . 16884 1 876 . 1 1 81 81 LYS HG3 H 1 1.36 0.02 . 2 . . . . 474 LYS HG3 . 16884 1 877 . 1 1 81 81 LYS C C 13 169.2 0.3 . 1 . . . . 474 LYS C . 16884 1 878 . 1 1 81 81 LYS CA C 13 49.5 0.3 . 1 . . . . 474 LYS CA . 16884 1 879 . 1 1 81 81 LYS CB C 13 29.4 0.3 . 1 . . . . 474 LYS CB . 16884 1 880 . 1 1 81 81 LYS CD C 13 23.4 0.3 . 1 . . . . 474 LYS CD . 16884 1 881 . 1 1 81 81 LYS CE C 13 36.8 0.3 . 1 . . . . 474 LYS CE . 16884 1 882 . 1 1 81 81 LYS CG C 13 19.7 0.3 . 1 . . . . 474 LYS CG . 16884 1 883 . 1 1 81 81 LYS N N 15 119.6 0.3 . 1 . . . . 474 LYS N . 16884 1 884 . 1 1 82 82 ARG H H 1 8.21 0.02 . 1 . . . . 475 ARG H . 16884 1 885 . 1 1 82 82 ARG HA H 1 4.88 0.02 . 1 . . . . 475 ARG HA . 16884 1 886 . 1 1 82 82 ARG HB3 H 1 1.63 0.02 . 1 . . . . 475 ARG HB3 . 16884 1 887 . 1 1 82 82 ARG HD2 H 1 3.14 0.02 . 2 . . . . 475 ARG HD2 . 16884 1 888 . 1 1 82 82 ARG HD3 H 1 3.19 0.02 . 2 . . . . 475 ARG HD3 . 16884 1 889 . 1 1 82 82 ARG HG2 H 1 1.31 0.02 . 1 . . . . 475 ARG HG2 . 16884 1 890 . 1 1 82 82 ARG C C 13 170.5 0.3 . 1 . . . . 475 ARG C . 16884 1 891 . 1 1 82 82 ARG CA C 13 48.9 0.3 . 1 . . . . 475 ARG CA . 16884 1 892 . 1 1 82 82 ARG CB C 13 26.2 0.3 . 1 . . . . 475 ARG CB . 16884 1 893 . 1 1 82 82 ARG CD C 13 37.9 0.3 . 1 . . . . 475 ARG CD . 16884 1 894 . 1 1 82 82 ARG CG C 13 22.3 0.3 . 1 . . . . 475 ARG CG . 16884 1 895 . 1 1 82 82 ARG N N 15 119.7 0.3 . 1 . . . . 475 ARG N . 16884 1 896 . 1 1 83 83 LEU H H 1 9.12 0.02 . 1 . . . . 476 LEU H . 16884 1 897 . 1 1 83 83 LEU HA H 1 4.51 0.02 . 1 . . . . 476 LEU HA . 16884 1 898 . 1 1 83 83 LEU HB2 H 1 1.48 0.02 . 1 . . . . 476 LEU HB2 . 16884 1 899 . 1 1 83 83 LEU HD21 H 1 0.84 0.02 . 1 . . . . 476 LEU HD2 . 16884 1 900 . 1 1 83 83 LEU HD22 H 1 0.84 0.02 . 1 . . . . 476 LEU HD2 . 16884 1 901 . 1 1 83 83 LEU HD23 H 1 0.84 0.02 . 1 . . . . 476 LEU HD2 . 16884 1 902 . 1 1 83 83 LEU HG H 1 1.01 0.02 . 1 . . . . 476 LEU HG . 16884 1 903 . 1 1 83 83 LEU C C 13 172.5 0.3 . 1 . . . . 476 LEU C . 16884 1 904 . 1 1 83 83 LEU CA C 13 50.4 0.3 . 1 . . . . 476 LEU CA . 16884 1 905 . 1 1 83 83 LEU CB C 13 37.7 0.3 . 1 . . . . 476 LEU CB . 16884 1 906 . 1 1 83 83 LEU CD2 C 13 18.2 0.3 . 1 . . . . 476 LEU CD2 . 16884 1 907 . 1 1 83 83 LEU CG C 13 20.4 0.3 . 1 . . . . 476 LEU CG . 16884 1 908 . 1 1 83 83 LEU N N 15 123.0 0.3 . 1 . . . . 476 LEU N . 16884 1 909 . 1 1 84 84 LYS H H 1 8.08 0.02 . 1 . . . . 477 LYS H . 16884 1 910 . 1 1 84 84 LYS HA H 1 5.20 0.02 . 1 . . . . 477 LYS HA . 16884 1 911 . 1 1 84 84 LYS HB3 H 1 1.68 0.02 . 1 . . . . 477 LYS HB3 . 16884 1 912 . 1 1 84 84 LYS HD2 H 1 1.59 0.02 . 1 . . . . 477 LYS HD2 . 16884 1 913 . 1 1 84 84 LYS HE2 H 1 2.83 0.02 . 1 . . . . 477 LYS HE2 . 16884 1 914 . 1 1 84 84 LYS HG2 H 1 1.28 0.02 . 1 . . . . 477 LYS HG2 . 16884 1 915 . 1 1 84 84 LYS C C 13 168.9 0.3 . 1 . . . . 477 LYS C . 16884 1 916 . 1 1 84 84 LYS CA C 13 49.2 0.3 . 1 . . . . 477 LYS CA . 16884 1 917 . 1 1 84 84 LYS CB C 13 29.4 0.3 . 1 . . . . 477 LYS CB . 16884 1 918 . 1 1 84 84 LYS CD C 13 23.6 0.3 . 1 . . . . 477 LYS CD . 16884 1 919 . 1 1 84 84 LYS CE C 13 36.5 0.3 . 1 . . . . 477 LYS CE . 16884 1 920 . 1 1 84 84 LYS CG C 13 19.4 0.3 . 1 . . . . 477 LYS CG . 16884 1 921 . 1 1 84 84 LYS N N 15 123.6 0.3 . 1 . . . . 477 LYS N . 16884 1 922 . 1 1 85 85 VAL H H 1 8.77 0.02 . 1 . . . . 478 VAL H . 16884 1 923 . 1 1 85 85 VAL HA H 1 4.98 0.02 . 1 . . . . 478 VAL HA . 16884 1 924 . 1 1 85 85 VAL HB H 1 1.90 0.02 . 1 . . . . 478 VAL HB . 16884 1 925 . 1 1 85 85 VAL HG11 H 1 1.05 0.02 . 1 . . . . 478 VAL HG1 . 16884 1 926 . 1 1 85 85 VAL HG12 H 1 1.05 0.02 . 1 . . . . 478 VAL HG1 . 16884 1 927 . 1 1 85 85 VAL HG13 H 1 1.05 0.02 . 1 . . . . 478 VAL HG1 . 16884 1 928 . 1 1 85 85 VAL HG21 H 1 0.93 0.02 . 1 . . . . 478 VAL HG2 . 16884 1 929 . 1 1 85 85 VAL HG22 H 1 0.93 0.02 . 1 . . . . 478 VAL HG2 . 16884 1 930 . 1 1 85 85 VAL HG23 H 1 0.93 0.02 . 1 . . . . 478 VAL HG2 . 16884 1 931 . 1 1 85 85 VAL C C 13 168.6 0.3 . 1 . . . . 478 VAL C . 16884 1 932 . 1 1 85 85 VAL CA C 13 55.6 0.3 . 1 . . . . 478 VAL CA . 16884 1 933 . 1 1 85 85 VAL CB C 13 28.6 0.3 . 1 . . . . 478 VAL CB . 16884 1 934 . 1 1 85 85 VAL CG1 C 13 16.2 0.3 . 1 . . . . 478 VAL CG1 . 16884 1 935 . 1 1 85 85 VAL CG2 C 13 18.1 0.3 . 1 . . . . 478 VAL CG2 . 16884 1 936 . 1 1 85 85 VAL N N 15 126.7 0.3 . 1 . . . . 478 VAL N . 16884 1 937 . 1 1 86 86 GLN H H 1 9.12 0.02 . 1 . . . . 479 GLN H . 16884 1 938 . 1 1 86 86 GLN HA H 1 4.88 0.02 . 1 . . . . 479 GLN HA . 16884 1 939 . 1 1 86 86 GLN HB3 H 1 2.40 0.02 . 1 . . . . 479 GLN HB3 . 16884 1 940 . 1 1 86 86 GLN HE21 H 1 7.02 0.02 . 1 . . . . 479 GLN HE21 . 16884 1 941 . 1 1 86 86 GLN HE22 H 1 7.64 0.02 . 1 . . . . 479 GLN HE22 . 16884 1 942 . 1 1 86 86 GLN HG2 H 1 2.51 0.02 . 1 . . . . 479 GLN HG2 . 16884 1 943 . 1 1 86 86 GLN C C 13 168.5 0.3 . 1 . . . . 479 GLN C . 16884 1 944 . 1 1 86 86 GLN CA C 13 48.1 0.3 . 1 . . . . 479 GLN CA . 16884 1 945 . 1 1 86 86 GLN CB C 13 28.4 0.3 . 1 . . . . 479 GLN CB . 16884 1 946 . 1 1 86 86 GLN CG C 13 28.4 0.3 . 1 . . . . 479 GLN CG . 16884 1 947 . 1 1 86 86 GLN N N 15 123.3 0.3 . 1 . . . . 479 GLN N . 16884 1 948 . 1 1 86 86 GLN NE2 N 15 112.8 0.3 . 1 . . . . 479 GLN NE2 . 16884 1 949 . 1 1 87 87 LEU H H 1 8.76 0.02 . 1 . . . . 480 LEU H . 16884 1 950 . 1 1 87 87 LEU HA H 1 4.52 0.02 . 1 . . . . 480 LEU HA . 16884 1 951 . 1 1 87 87 LEU HB2 H 1 1.61 0.02 . 1 . . . . 480 LEU HB2 . 16884 1 952 . 1 1 87 87 LEU HD21 H 1 0.86 0.02 . 1 . . . . 480 LEU HD2 . 16884 1 953 . 1 1 87 87 LEU HD22 H 1 0.86 0.02 . 1 . . . . 480 LEU HD2 . 16884 1 954 . 1 1 87 87 LEU HD23 H 1 0.86 0.02 . 1 . . . . 480 LEU HD2 . 16884 1 955 . 1 1 87 87 LEU HG H 1 0.95 0.02 . 1 . . . . 480 LEU HG . 16884 1 956 . 1 1 87 87 LEU C C 13 171.9 0.3 . 1 . . . . 480 LEU C . 16884 1 957 . 1 1 87 87 LEU CA C 13 50.1 0.3 . 1 . . . . 480 LEU CA . 16884 1 958 . 1 1 87 87 LEU CB C 13 37.3 0.3 . 1 . . . . 480 LEU CB . 16884 1 959 . 1 1 87 87 LEU CD2 C 13 18.6 0.3 . 1 . . . . 480 LEU CD2 . 16884 1 960 . 1 1 87 87 LEU CG C 13 19.7 0.3 . 1 . . . . 480 LEU CG . 16884 1 961 . 1 1 87 87 LEU N N 15 122.8 0.3 . 1 . . . . 480 LEU N . 16884 1 962 . 1 1 88 88 LYS H H 1 8.38 0.02 . 1 . . . . 481 LYS H . 16884 1 963 . 1 1 88 88 LYS HA H 1 4.39 0.02 . 1 . . . . 481 LYS HA . 16884 1 964 . 1 1 88 88 LYS HB2 H 1 1.34 0.02 . 2 . . . . 481 LYS HB2 . 16884 1 965 . 1 1 88 88 LYS HB3 H 1 1.65 0.02 . 2 . . . . 481 LYS HB3 . 16884 1 966 . 1 1 88 88 LYS HD2 H 1 1.44 0.02 . 2 . . . . 481 LYS HD2 . 16884 1 967 . 1 1 88 88 LYS HD3 H 1 1.48 0.02 . 2 . . . . 481 LYS HD3 . 16884 1 968 . 1 1 88 88 LYS HE2 H 1 2.85 0.02 . 1 . . . . 481 LYS HE2 . 16884 1 969 . 1 1 88 88 LYS HG2 H 1 1.35 0.02 . 1 . . . . 481 LYS HG2 . 16884 1 970 . 1 1 88 88 LYS C C 13 170.1 0.3 . 1 . . . . 481 LYS C . 16884 1 971 . 1 1 88 88 LYS CA C 13 50.7 0.3 . 1 . . . . 481 LYS CA . 16884 1 972 . 1 1 88 88 LYS CB C 13 28.0 0.3 . 1 . . . . 481 LYS CB . 16884 1 973 . 1 1 88 88 LYS CD C 13 24.4 0.3 . 1 . . . . 481 LYS CD . 16884 1 974 . 1 1 88 88 LYS CE C 13 36.4 0.3 . 1 . . . . 481 LYS CE . 16884 1 975 . 1 1 88 88 LYS CG C 13 19.4 0.3 . 1 . . . . 481 LYS CG . 16884 1 976 . 1 1 88 88 LYS N N 15 124.0 0.3 . 1 . . . . 481 LYS N . 16884 1 977 . 1 1 89 89 ARG H H 1 8.70 0.02 . 1 . . . . 482 ARG H . 16884 1 978 . 1 1 89 89 ARG HA H 1 4.43 0.02 . 1 . . . . 482 ARG HA . 16884 1 979 . 1 1 89 89 ARG HB2 H 1 1.71 0.02 . 2 . . . . 482 ARG HB2 . 16884 1 980 . 1 1 89 89 ARG HB3 H 1 1.85 0.02 . 2 . . . . 482 ARG HB3 . 16884 1 981 . 1 1 89 89 ARG HD2 H 1 3.16 0.02 . 1 . . . . 482 ARG HD2 . 16884 1 982 . 1 1 89 89 ARG HG2 H 1 1.60 0.02 . 1 . . . . 482 ARG HG2 . 16884 1 983 . 1 1 89 89 ARG C C 13 170.6 0.3 . 1 . . . . 482 ARG C . 16884 1 984 . 1 1 89 89 ARG CA C 13 50.5 0.3 . 1 . . . . 482 ARG CA . 16884 1 985 . 1 1 89 89 ARG CB C 13 26.0 0.3 . 1 . . . . 482 ARG CB . 16884 1 986 . 1 1 89 89 ARG CD C 13 37.8 0.3 . 1 . . . . 482 ARG CD . 16884 1 987 . 1 1 89 89 ARG CG C 13 21.4 0.3 . 1 . . . . 482 ARG CG . 16884 1 988 . 1 1 89 89 ARG N N 15 126.7 0.3 . 1 . . . . 482 ARG N . 16884 1 989 . 1 1 90 90 SER H H 1 8.63 0.02 . 1 . . . . 483 SER H . 16884 1 990 . 1 1 90 90 SER HA H 1 4.48 0.02 . 1 . . . . 483 SER HA . 16884 1 991 . 1 1 90 90 SER HB2 H 1 3.84 0.02 . 1 . . . . 483 SER HB2 . 16884 1 992 . 1 1 90 90 SER C C 13 169.1 0.3 . 1 . . . . 483 SER C . 16884 1 993 . 1 1 90 90 SER CA C 13 52.8 0.3 . 1 . . . . 483 SER CA . 16884 1 994 . 1 1 90 90 SER CB C 13 58.4 0.3 . 1 . . . . 483 SER CB . 16884 1 995 . 1 1 90 90 SER N N 15 118.2 0.3 . 1 . . . . 483 SER N . 16884 1 996 . 1 1 91 91 LYS H H 1 8.52 0.02 . 1 . . . . 484 LYS H . 16884 1 997 . 1 1 91 91 LYS HA H 1 4.29 0.02 . 1 . . . . 484 LYS HA . 16884 1 998 . 1 1 91 91 LYS HB2 H 1 1.77 0.02 . 2 . . . . 484 LYS HB2 . 16884 1 999 . 1 1 91 91 LYS HB3 H 1 1.83 0.02 . 2 . . . . 484 LYS HB3 . 16884 1 1000 . 1 1 91 91 LYS HE2 H 1 2.96 0.02 . 1 . . . . 484 LYS HE2 . 16884 1 1001 . 1 1 91 91 LYS HG2 H 1 1.40 0.02 . 1 . . . . 484 LYS HG2 . 16884 1 1002 . 1 1 91 91 LYS C C 13 170.8 0.3 . 1 . . . . 484 LYS C . 16884 1 1003 . 1 1 91 91 LYS CA C 13 51.2 0.3 . 1 . . . . 484 LYS CA . 16884 1 1004 . 1 1 91 91 LYS CB C 13 27.4 0.3 . 1 . . . . 484 LYS CB . 16884 1 1005 . 1 1 91 91 LYS CD C 13 23.5 0.3 . 1 . . . . 484 LYS CD . 16884 1 1006 . 1 1 91 91 LYS CE C 13 36.5 0.3 . 1 . . . . 484 LYS CE . 16884 1 1007 . 1 1 91 91 LYS CG C 13 19.0 0.3 . 1 . . . . 484 LYS CG . 16884 1 1008 . 1 1 91 91 LYS N N 15 123.0 0.3 . 1 . . . . 484 LYS N . 16884 1 1009 . 1 1 92 92 ASN H H 1 8.47 0.02 . 1 . . . . 485 ASN H . 16884 1 1010 . 1 1 92 92 ASN HA H 1 4.68 0.02 . 1 . . . . 485 ASN HA . 16884 1 1011 . 1 1 92 92 ASN HB2 H 1 2.84 0.02 . 2 . . . . 485 ASN HB2 . 16884 1 1012 . 1 1 92 92 ASN HB3 H 1 2.70 0.02 . 2 . . . . 485 ASN HB3 . 16884 1 1013 . 1 1 92 92 ASN HD21 H 1 6.92 0.02 . 1 . . . . 485 ASN HD21 . 16884 1 1014 . 1 1 92 92 ASN HD22 H 1 7.62 0.02 . 1 . . . . 485 ASN HD22 . 16884 1 1015 . 1 1 92 92 ASN C C 13 169.3 0.3 . 1 . . . . 485 ASN C . 16884 1 1016 . 1 1 92 92 ASN CA C 13 47.8 0.3 . 1 . . . . 485 ASN CA . 16884 1 1017 . 1 1 92 92 ASN CB C 13 33.3 0.3 . 1 . . . . 485 ASN CB . 16884 1 1018 . 1 1 92 92 ASN N N 15 119.2 0.3 . 1 . . . . 485 ASN N . 16884 1 1019 . 1 1 92 92 ASN ND2 N 15 112.9 0.3 . 1 . . . . 485 ASN ND2 . 16884 1 1020 . 1 1 93 93 ASP H H 1 8.17 0.02 . 1 . . . . 486 ASP H . 16884 1 1021 . 1 1 93 93 ASP HA H 1 4.60 0.02 . 1 . . . . 486 ASP HA . 16884 1 1022 . 1 1 93 93 ASP HB2 H 1 2.65 0.02 . 2 . . . . 486 ASP HB2 . 16884 1 1023 . 1 1 93 93 ASP HB3 H 1 2.68 0.02 . 2 . . . . 486 ASP HB3 . 16884 1 1024 . 1 1 93 93 ASP C C 13 170.5 0.3 . 1 . . . . 486 ASP C . 16884 1 1025 . 1 1 93 93 ASP CA C 13 48.9 0.3 . 1 . . . . 486 ASP CA . 16884 1 1026 . 1 1 93 93 ASP CB C 13 35.6 0.3 . 1 . . . . 486 ASP CB . 16884 1 1027 . 1 1 93 93 ASP N N 15 120.8 0.3 . 1 . . . . 486 ASP N . 16884 1 1028 . 1 1 94 94 SER H H 1 8.08 0.02 . 1 . . . . 487 SER H . 16884 1 1029 . 1 1 94 94 SER HA H 1 4.39 0.02 . 1 . . . . 487 SER HA . 16884 1 1030 . 1 1 94 94 SER HB2 H 1 3.79 0.02 . 1 . . . . 487 SER HB2 . 16884 1 1031 . 1 1 94 94 SER C C 13 167.7 0.3 . 1 . . . . 487 SER C . 16884 1 1032 . 1 1 94 94 SER CA C 13 52.6 0.3 . 1 . . . . 487 SER CA . 16884 1 1033 . 1 1 94 94 SER CB C 13 58.4 0.3 . 1 . . . . 487 SER CB . 16884 1 1034 . 1 1 94 94 SER N N 15 115.5 0.3 . 1 . . . . 487 SER N . 16884 1 1035 . 1 1 95 95 LYS H H 1 7.94 0.02 . 1 . . . . 488 LYS H . 16884 1 1036 . 1 1 95 95 LYS HA H 1 4.13 0.02 . 1 . . . . 488 LYS HA . 16884 1 1037 . 1 1 95 95 LYS HB3 H 1 1.61 0.02 . 1 . . . . 488 LYS HB3 . 16884 1 1038 . 1 1 95 95 LYS C C 13 169.4 0.3 . 1 . . . . 488 LYS C . 16884 1 1039 . 1 1 95 95 LYS CA C 13 48.9 0.3 . 1 . . . . 488 LYS CA . 16884 1 1040 . 1 1 95 95 LYS CB C 13 27.3 0.3 . 1 . . . . 488 LYS CB . 16884 1 1041 . 1 1 95 95 LYS N N 15 121.8 0.3 . 1 . . . . 488 LYS N . 16884 1 1042 . 1 1 96 96 PRO HA H 1 4.36 0.02 . 1 . . . . 489 PRO HA . 16884 1 1043 . 1 1 96 96 PRO HB3 H 1 2.08 0.02 . 1 . . . . 489 PRO HB3 . 16884 1 1044 . 1 1 96 96 PRO HD2 H 1 3.52 0.02 . 2 . . . . 489 PRO HD2 . 16884 1 1045 . 1 1 96 96 PRO HD3 H 1 3.67 0.02 . 2 . . . . 489 PRO HD3 . 16884 1 1046 . 1 1 96 96 PRO HG2 H 1 1.84 0.02 . 2 . . . . 489 PRO HG2 . 16884 1 1047 . 1 1 96 96 PRO HG3 H 1 1.88 0.02 . 2 . . . . 489 PRO HG3 . 16884 1 1048 . 1 1 96 96 PRO C C 13 169.9 0.3 . 1 . . . . 489 PRO C . 16884 1 1049 . 1 1 96 96 PRO CA C 13 57.8 0.3 . 1 . . . . 489 PRO CA . 16884 1 1050 . 1 1 96 96 PRO CB C 13 26.0 0.3 . 1 . . . . 489 PRO CB . 16884 1 1051 . 1 1 96 96 PRO CD C 13 44.8 0.3 . 1 . . . . 489 PRO CD . 16884 1 1052 . 1 1 96 96 PRO CG C 13 21.4 0.3 . 1 . . . . 489 PRO CG . 16884 1 1053 . 1 1 97 97 TYR H H 1 7.43 0.02 . 1 . . . . 490 TYR H . 16884 1 1054 . 1 1 97 97 TYR HA H 1 4.34 0.02 . 1 . . . . 490 TYR HA . 16884 1 1055 . 1 1 97 97 TYR HB2 H 1 2.92 0.02 . 2 . . . . 490 TYR HB2 . 16884 1 1056 . 1 1 97 97 TYR HB3 H 1 3.00 0.02 . 2 . . . . 490 TYR HB3 . 16884 1 1057 . 1 1 97 97 TYR HD1 H 1 8.16 0.02 . 1 . . . . 490 TYR HD1 . 16884 1 1058 . 1 1 97 97 TYR HE1 H 1 6.80 0.02 . 1 . . . . 490 TYR HE1 . 16884 1 1059 . 1 1 97 97 TYR C C 13 174.5 0.3 . 1 . . . . 490 TYR C . 16884 1 1060 . 1 1 97 97 TYR CA C 13 53.2 0.3 . 1 . . . . 490 TYR CA . 16884 1 1061 . 1 1 97 97 TYR CB C 13 33.6 0.3 . 1 . . . . 490 TYR CB . 16884 1 1062 . 1 1 97 97 TYR CD2 C 13 131.9 0.3 . 1 . . . . 490 TYR CD2 . 16884 1 1063 . 1 1 97 97 TYR CE1 C 13 112.5 0.3 . 1 . . . . 490 TYR CE1 . 16884 1 1064 . 1 1 97 97 TYR N N 15 123.6 0.3 . 1 . . . . 490 TYR N . 16884 1 stop_ save_