data_5822 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5822 _Entry.Title ; 1H, 15N and 13C assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-06 _Entry.Accession_date 2003-06-09 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shibani Bhattacharya . . . 5822 2 Alphonse Arunkumar . I. . 5822 3 Shannon Sullivan . L. . 5822 4 Maria-Victoria Botuyan . . . 5822 5 Cheryl Arrowsmith . H. . 5822 6 Walter Chazin . J. . 5822 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5822 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 845 5822 '13C chemical shifts' 532 5822 '15N chemical shifts' 129 5822 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-02-11 2003-06-06 original author . 5822 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5821 RPA70A 5822 BMRB 5823 RPA70AB 5822 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5822 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14755166 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N assignments of single-stranded DNA binding domains from the 70 kDa subunit of Human Replication Protein A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _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 195 _Citation.Page_last 196 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shibani Bhattacharya . . . 5822 1 2 Alphonse Arunkumar . I. . 5822 1 3 Shannon Sullivan . L. . 5822 1 4 Maria-Victoria Botuyan . . . 5822 1 5 Cheryl Arrowsmith . H. . 5822 1 6 Walter Chazin . J. . 5822 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'single-stranded DNA' 5822 1 OB-fold 5822 1 'DNA replication' 5822 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RPA70B _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RPA70B _Assembly.Entry_ID 5822 _Assembly.ID 1 _Assembly.Name 'RPA70(299-422) ssDNA binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5822 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RPA70(299-422) 1 $RPA70B . . . native . . . . . 5822 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FGU . . . . . . 5822 1 . PDB 1JMC . . . . . . 5822 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RPA70(299-422) ssDNA binding domain' system 5822 1 RPA70B abbreviation 5822 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RPA70B _Entity.Sf_category entity _Entity.Sf_framecode RPA70B _Entity.Entry_ID 5822 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain biopolymer' _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 ; QFDFTGIDDLENKSKDSLVD IIGICKSYEDATKITVRSNN REVAKRNIYLMDTSGKVVTA TLWGEDADKFDGSRQPVLAI KGARVSDFGGRSLSVLSSST IIANPDIPEAYKLRGWFDAE GQAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16754 . RPA70A . . . . . 100.00 252 100.00 100.00 2.64e-82 . . . . 5822 1 2 no BMRB 5823 . RPA70AB . . . . . 100.00 242 100.00 100.00 2.00e-82 . . . . 5822 1 3 no PDB 1FGU . "Ssdna-Binding Domain Of The Large Subunit Of Replication Protein A" . . . . . 100.00 252 100.00 100.00 2.64e-82 . . . . 5822 1 4 no PDB 1JMC . "Single Stranded Dna-Binding Domain Of Human Replication Protein A Bound To Single Stranded Dna, Rpa70 Subunit, Residues 183-420" . . . . . 100.00 246 100.00 100.00 2.16e-82 . . . . 5822 1 5 no DBJ BAD92969 . "replication protein A1, 70kDa variant [Homo sapiens]" . . . . . 100.00 630 99.19 99.19 9.49e-78 . . . . 5822 1 6 no DBJ BAE02429 . "unnamed protein product [Macaca fascicularis]" . . . . . 59.68 268 98.65 100.00 2.72e-42 . . . . 5822 1 7 no DBJ BAF82393 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 8 no DBJ BAG10883 . "replication protein A 70 kDa DNA-binding subunit [synthetic construct]" . . . . . 100.00 616 99.19 99.19 6.30e-78 . . . . 5822 1 9 no EMBL CAH92206 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 616 100.00 100.00 1.27e-78 . . . . 5822 1 10 no GB AAA36584 . "replication protein A, 70-kDa subunit [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 11 no GB AAH18126 . "Replication protein A1, 70kDa [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 12 no GB AAS94324 . "replication protein A1, 70kDa [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 13 no GB ADR83314 . "replication protein A1, 70kDa [synthetic construct]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 14 no GB AIC58576 . "RPA1, partial [synthetic construct]" . . . . . 100.00 616 100.00 100.00 1.16e-78 . . . . 5822 1 15 no REF NP_001126290 . "replication protein A 70 kDa DNA-binding subunit [Pongo abelii]" . . . . . 100.00 616 100.00 100.00 1.27e-78 . . . . 5822 1 16 no REF NP_001270333 . "uncharacterized protein LOC101866286 [Macaca fascicularis]" . . . . . 59.68 268 98.65 100.00 2.72e-42 . . . . 5822 1 17 no REF NP_002936 . "replication protein A 70 kDa DNA-binding subunit [Homo sapiens]" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 18 no REF XP_002800290 . "PREDICTED: replication protein A 70 kDa DNA-binding subunit-like, partial [Macaca mulatta]" . . . . . 100.00 532 99.19 100.00 1.45e-78 . . . . 5822 1 19 no REF XP_003277864 . "PREDICTED: replication protein A 70 kDa DNA-binding subunit [Nomascus leucogenys]" . . . . . 100.00 616 99.19 99.19 5.79e-78 . . . . 5822 1 20 no SP P27694 . "RecName: Full=Replication protein A 70 kDa DNA-binding subunit; Short=RP-A p70; AltName: Full=Replication factor A protein 1; S" . . . . . 100.00 616 100.00 100.00 1.12e-78 . . . . 5822 1 21 no SP Q5R7Q4 . "RecName: Full=Replication protein A 70 kDa DNA-binding subunit; Short=RP-A p70; AltName: Full=Replication factor A protein 1; S" . . . . . 100.00 616 100.00 100.00 1.27e-78 . . . . 5822 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'single chain biopolymer' common 5822 1 RPA70B abbreviation 5822 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 1 299 GLN . 5822 1 2 300 PHE . 5822 1 3 301 ASP . 5822 1 4 302 PHE . 5822 1 5 303 THR . 5822 1 6 304 GLY . 5822 1 7 305 ILE . 5822 1 8 306 ASP . 5822 1 9 307 ASP . 5822 1 10 308 LEU . 5822 1 11 309 GLU . 5822 1 12 310 ASN . 5822 1 13 311 LYS . 5822 1 14 312 SER . 5822 1 15 313 LYS . 5822 1 16 314 ASP . 5822 1 17 315 SER . 5822 1 18 316 LEU . 5822 1 19 317 VAL . 5822 1 20 318 ASP . 5822 1 21 319 ILE . 5822 1 22 320 ILE . 5822 1 23 321 GLY . 5822 1 24 322 ILE . 5822 1 25 323 CYS . 5822 1 26 324 LYS . 5822 1 27 325 SER . 5822 1 28 326 TYR . 5822 1 29 327 GLU . 5822 1 30 328 ASP . 5822 1 31 329 ALA . 5822 1 32 330 THR . 5822 1 33 331 LYS . 5822 1 34 332 ILE . 5822 1 35 333 THR . 5822 1 36 334 VAL . 5822 1 37 335 ARG . 5822 1 38 336 SER . 5822 1 39 337 ASN . 5822 1 40 338 ASN . 5822 1 41 339 ARG . 5822 1 42 340 GLU . 5822 1 43 341 VAL . 5822 1 44 342 ALA . 5822 1 45 343 LYS . 5822 1 46 344 ARG . 5822 1 47 345 ASN . 5822 1 48 346 ILE . 5822 1 49 347 TYR . 5822 1 50 348 LEU . 5822 1 51 349 MET . 5822 1 52 350 ASP . 5822 1 53 351 THR . 5822 1 54 352 SER . 5822 1 55 353 GLY . 5822 1 56 354 LYS . 5822 1 57 355 VAL . 5822 1 58 356 VAL . 5822 1 59 357 THR . 5822 1 60 358 ALA . 5822 1 61 359 THR . 5822 1 62 360 LEU . 5822 1 63 361 TRP . 5822 1 64 362 GLY . 5822 1 65 363 GLU . 5822 1 66 364 ASP . 5822 1 67 365 ALA . 5822 1 68 366 ASP . 5822 1 69 367 LYS . 5822 1 70 368 PHE . 5822 1 71 369 ASP . 5822 1 72 370 GLY . 5822 1 73 371 SER . 5822 1 74 372 ARG . 5822 1 75 373 GLN . 5822 1 76 374 PRO . 5822 1 77 375 VAL . 5822 1 78 376 LEU . 5822 1 79 377 ALA . 5822 1 80 378 ILE . 5822 1 81 379 LYS . 5822 1 82 380 GLY . 5822 1 83 381 ALA . 5822 1 84 382 ARG . 5822 1 85 383 VAL . 5822 1 86 384 SER . 5822 1 87 385 ASP . 5822 1 88 386 PHE . 5822 1 89 387 GLY . 5822 1 90 388 GLY . 5822 1 91 389 ARG . 5822 1 92 390 SER . 5822 1 93 391 LEU . 5822 1 94 392 SER . 5822 1 95 393 VAL . 5822 1 96 394 LEU . 5822 1 97 395 SER . 5822 1 98 396 SER . 5822 1 99 397 SER . 5822 1 100 398 THR . 5822 1 101 399 ILE . 5822 1 102 400 ILE . 5822 1 103 401 ALA . 5822 1 104 402 ASN . 5822 1 105 403 PRO . 5822 1 106 404 ASP . 5822 1 107 405 ILE . 5822 1 108 406 PRO . 5822 1 109 407 GLU . 5822 1 110 408 ALA . 5822 1 111 409 TYR . 5822 1 112 410 LYS . 5822 1 113 411 LEU . 5822 1 114 412 ARG . 5822 1 115 413 GLY . 5822 1 116 414 TRP . 5822 1 117 415 PHE . 5822 1 118 416 ASP . 5822 1 119 417 ALA . 5822 1 120 418 GLU . 5822 1 121 419 GLY . 5822 1 122 420 GLN . 5822 1 123 421 ALA . 5822 1 124 422 LEU . 5822 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 . GLN 1 1 5822 1 . PHE 2 2 5822 1 . ASP 3 3 5822 1 . PHE 4 4 5822 1 . THR 5 5 5822 1 . GLY 6 6 5822 1 . ILE 7 7 5822 1 . ASP 8 8 5822 1 . ASP 9 9 5822 1 . LEU 10 10 5822 1 . GLU 11 11 5822 1 . ASN 12 12 5822 1 . LYS 13 13 5822 1 . SER 14 14 5822 1 . LYS 15 15 5822 1 . ASP 16 16 5822 1 . SER 17 17 5822 1 . LEU 18 18 5822 1 . VAL 19 19 5822 1 . ASP 20 20 5822 1 . ILE 21 21 5822 1 . ILE 22 22 5822 1 . GLY 23 23 5822 1 . ILE 24 24 5822 1 . CYS 25 25 5822 1 . LYS 26 26 5822 1 . SER 27 27 5822 1 . TYR 28 28 5822 1 . GLU 29 29 5822 1 . ASP 30 30 5822 1 . ALA 31 31 5822 1 . THR 32 32 5822 1 . LYS 33 33 5822 1 . ILE 34 34 5822 1 . THR 35 35 5822 1 . VAL 36 36 5822 1 . ARG 37 37 5822 1 . SER 38 38 5822 1 . ASN 39 39 5822 1 . ASN 40 40 5822 1 . ARG 41 41 5822 1 . GLU 42 42 5822 1 . VAL 43 43 5822 1 . ALA 44 44 5822 1 . LYS 45 45 5822 1 . ARG 46 46 5822 1 . ASN 47 47 5822 1 . ILE 48 48 5822 1 . TYR 49 49 5822 1 . LEU 50 50 5822 1 . MET 51 51 5822 1 . ASP 52 52 5822 1 . THR 53 53 5822 1 . SER 54 54 5822 1 . GLY 55 55 5822 1 . LYS 56 56 5822 1 . VAL 57 57 5822 1 . VAL 58 58 5822 1 . THR 59 59 5822 1 . ALA 60 60 5822 1 . THR 61 61 5822 1 . LEU 62 62 5822 1 . TRP 63 63 5822 1 . GLY 64 64 5822 1 . GLU 65 65 5822 1 . ASP 66 66 5822 1 . ALA 67 67 5822 1 . ASP 68 68 5822 1 . LYS 69 69 5822 1 . PHE 70 70 5822 1 . ASP 71 71 5822 1 . GLY 72 72 5822 1 . SER 73 73 5822 1 . ARG 74 74 5822 1 . GLN 75 75 5822 1 . PRO 76 76 5822 1 . VAL 77 77 5822 1 . LEU 78 78 5822 1 . ALA 79 79 5822 1 . ILE 80 80 5822 1 . LYS 81 81 5822 1 . GLY 82 82 5822 1 . ALA 83 83 5822 1 . ARG 84 84 5822 1 . VAL 85 85 5822 1 . SER 86 86 5822 1 . ASP 87 87 5822 1 . PHE 88 88 5822 1 . GLY 89 89 5822 1 . GLY 90 90 5822 1 . ARG 91 91 5822 1 . SER 92 92 5822 1 . LEU 93 93 5822 1 . SER 94 94 5822 1 . VAL 95 95 5822 1 . LEU 96 96 5822 1 . SER 97 97 5822 1 . SER 98 98 5822 1 . SER 99 99 5822 1 . THR 100 100 5822 1 . ILE 101 101 5822 1 . ILE 102 102 5822 1 . ALA 103 103 5822 1 . ASN 104 104 5822 1 . PRO 105 105 5822 1 . ASP 106 106 5822 1 . ILE 107 107 5822 1 . PRO 108 108 5822 1 . GLU 109 109 5822 1 . ALA 110 110 5822 1 . TYR 111 111 5822 1 . LYS 112 112 5822 1 . LEU 113 113 5822 1 . ARG 114 114 5822 1 . GLY 115 115 5822 1 . TRP 116 116 5822 1 . PHE 117 117 5822 1 . ASP 118 118 5822 1 . ALA 119 119 5822 1 . GLU 120 120 5822 1 . GLY 121 121 5822 1 . GLN 122 122 5822 1 . ALA 123 123 5822 1 . LEU 124 124 5822 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 5822 _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 $RPA70B . Human . . 'Homo sapiens' 9606 . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5822 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 5822 _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 $RPA70B . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5822 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolymer' '[U-15N; U-13C]' . . 1 $RPA70B . . . 0.5 1.0 mM . . . . 5822 1 2 tris-d11 . . . . . . . 20 . . mM . . . . 5822 1 3 'Potassium Chloride' . . . . . . . 50 . . mM . . . . 5822 1 4 'Magnesium Chloride' . . . . . . . 10 . . mM . . . . 5822 1 5 DTT . . . . . . . 2 . . mM . . . . 5822 1 6 'Sodium Azide' . . . . . . . 0.01 . . % . . . . 5822 1 7 H2O . . . . . . . 90 . . % . . . . 5822 1 8 D2O . . . . . . . 10 . . % . . . . 5822 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5822 _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 7.2 0.2 n/a 5822 1 temperature 298 1 K 5822 1 'ionic strength' 0.080 . M 5822 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5822 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5822 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5822 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5822 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5822 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 5822 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 5822 _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 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 6 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 7 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 9 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 10 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5822 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5822 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5822 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5822 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . . . . . . . . . 5822 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . . . . . . . . . 5822 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5822 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5822 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 GLN C C 13 174.10 0.50 . 1 . . . . 299 . . . 5822 1 2 . 1 1 1 1 GLN CA C 13 54.73 0.50 . 1 . . . . 299 . . . 5822 1 3 . 1 1 1 1 GLN CB C 13 30.04 0.50 . 1 . . . . 299 . . . 5822 1 4 . 1 1 1 1 GLN CG C 13 33.95 0.50 . 1 . . . . 299 . . . 5822 1 5 . 1 1 1 1 GLN H H 1 7.78 0.02 . 1 . . . . 299 . . . 5822 1 6 . 1 1 1 1 GLN HA H 1 4.11 0.05 . 1 . . . . 299 . . . 5822 1 7 . 1 1 1 1 GLN HB2 H 1 1.67 0.05 . 2 . . . . 299 . . . 5822 1 8 . 1 1 1 1 GLN HB3 H 1 1.55 0.05 . 2 . . . . 299 . . . 5822 1 9 . 1 1 1 1 GLN HG2 H 1 1.99 0.05 . 1 . . . . 299 . . . 5822 1 10 . 1 1 1 1 GLN HG3 H 1 1.99 0.05 . 1 . . . . 299 . . . 5822 1 11 . 1 1 1 1 GLN HE21 H 1 6.63 0.05 . 2 . . . . 299 . . . 5822 1 12 . 1 1 1 1 GLN HE22 H 1 7.30 0.05 . 2 . . . . 299 . . . 5822 1 13 . 1 1 1 1 GLN N N 15 122.28 0.03 . 1 . . . . 299 . . . 5822 1 14 . 1 1 1 1 GLN NE2 N 15 112.78 0.03 . 1 . . . . 299 . . . 5822 1 15 . 1 1 2 2 PHE C C 13 174.62 0.50 . 1 . . . . 300 . . . 5822 1 16 . 1 1 2 2 PHE CA C 13 56.72 0.50 . 1 . . . . 300 . . . 5822 1 17 . 1 1 2 2 PHE CB C 13 41.98 0.50 . 1 . . . . 300 . . . 5822 1 18 . 1 1 2 2 PHE CD1 C 13 132.20 0.50 . 1 . . . . 300 . . . 5822 1 19 . 1 1 2 2 PHE CD2 C 13 132.20 0.50 . 1 . . . . 300 . . . 5822 1 20 . 1 1 2 2 PHE CE1 C 13 130.11 0.50 . 1 . . . . 300 . . . 5822 1 21 . 1 1 2 2 PHE CE2 C 13 130.11 0.50 . 1 . . . . 300 . . . 5822 1 22 . 1 1 2 2 PHE CZ C 13 128.61 0.50 . 1 . . . . 300 . . . 5822 1 23 . 1 1 2 2 PHE H H 1 8.12 0.02 . 1 . . . . 300 . . . 5822 1 24 . 1 1 2 2 PHE HA H 1 4.08 0.05 . 1 . . . . 300 . . . 5822 1 25 . 1 1 2 2 PHE HB2 H 1 1.66 0.05 . 2 . . . . 300 . . . 5822 1 26 . 1 1 2 2 PHE HB3 H 1 1.09 0.05 . 2 . . . . 300 . . . 5822 1 27 . 1 1 2 2 PHE HD1 H 1 6.71 0.05 . 1 . . . . 300 . . . 5822 1 28 . 1 1 2 2 PHE HD2 H 1 6.71 0.05 . 1 . . . . 300 . . . 5822 1 29 . 1 1 2 2 PHE HE1 H 1 6.93 0.05 . 1 . . . . 300 . . . 5822 1 30 . 1 1 2 2 PHE HE2 H 1 6.93 0.05 . 1 . . . . 300 . . . 5822 1 31 . 1 1 2 2 PHE HZ H 1 6.84 0.05 . 1 . . . . 300 . . . 5822 1 32 . 1 1 2 2 PHE N N 15 121.83 0.03 . 1 . . . . 300 . . . 5822 1 33 . 1 1 3 3 ASP C C 13 174.81 0.50 . 1 . . . . 301 . . . 5822 1 34 . 1 1 3 3 ASP CA C 13 51.97 0.50 . 1 . . . . 301 . . . 5822 1 35 . 1 1 3 3 ASP CB C 13 40.71 0.50 . 1 . . . . 301 . . . 5822 1 36 . 1 1 3 3 ASP H H 1 9.36 0.02 . 1 . . . . 301 . . . 5822 1 37 . 1 1 3 3 ASP HA H 1 4.62 0.05 . 1 . . . . 301 . . . 5822 1 38 . 1 1 3 3 ASP HB2 H 1 2.55 0.05 . 2 . . . . 301 . . . 5822 1 39 . 1 1 3 3 ASP HB3 H 1 2.17 0.05 . 2 . . . . 301 . . . 5822 1 40 . 1 1 3 3 ASP N N 15 125.54 0.03 . 1 . . . . 301 . . . 5822 1 41 . 1 1 4 4 PHE C C 13 177.62 0.50 . 1 . . . . 302 . . . 5822 1 42 . 1 1 4 4 PHE CA C 13 59.63 0.50 . 1 . . . . 302 . . . 5822 1 43 . 1 1 4 4 PHE CB C 13 38.86 0.50 . 1 . . . . 302 . . . 5822 1 44 . 1 1 4 4 PHE CD1 C 13 130.74 0.50 . 1 . . . . 302 . . . 5822 1 45 . 1 1 4 4 PHE CD2 C 13 130.74 0.50 . 1 . . . . 302 . . . 5822 1 46 . 1 1 4 4 PHE CE1 C 13 130.67 0.50 . 1 . . . . 302 . . . 5822 1 47 . 1 1 4 4 PHE CE2 C 13 130.67 0.50 . 1 . . . . 302 . . . 5822 1 48 . 1 1 4 4 PHE CZ C 13 129.17 0.50 . 1 . . . . 302 . . . 5822 1 49 . 1 1 4 4 PHE H H 1 8.17 0.02 . 1 . . . . 302 . . . 5822 1 50 . 1 1 4 4 PHE HA H 1 4.38 0.05 . 1 . . . . 302 . . . 5822 1 51 . 1 1 4 4 PHE HB2 H 1 3.07 0.05 . 2 . . . . 302 . . . 5822 1 52 . 1 1 4 4 PHE HB3 H 1 2.60 0.05 . 2 . . . . 302 . . . 5822 1 53 . 1 1 4 4 PHE HD1 H 1 6.80 0.05 . 1 . . . . 302 . . . 5822 1 54 . 1 1 4 4 PHE HD2 H 1 6.80 0.05 . 1 . . . . 302 . . . 5822 1 55 . 1 1 4 4 PHE HE1 H 1 6.56 0.05 . 1 . . . . 302 . . . 5822 1 56 . 1 1 4 4 PHE HE2 H 1 6.56 0.05 . 1 . . . . 302 . . . 5822 1 57 . 1 1 4 4 PHE HZ H 1 5.62 0.05 . 1 . . . . 302 . . . 5822 1 58 . 1 1 4 4 PHE N N 15 121.05 0.03 . 1 . . . . 302 . . . 5822 1 59 . 1 1 5 5 THR C C 13 174.30 0.50 . 1 . . . . 303 . . . 5822 1 60 . 1 1 5 5 THR CA C 13 62.42 0.50 . 1 . . . . 303 . . . 5822 1 61 . 1 1 5 5 THR CB C 13 70.80 0.50 . 1 . . . . 303 . . . 5822 1 62 . 1 1 5 5 THR CG2 C 13 22.13 0.50 . 1 . . . . 303 . . . 5822 1 63 . 1 1 5 5 THR H H 1 8.88 0.02 . 1 . . . . 303 . . . 5822 1 64 . 1 1 5 5 THR HA H 1 4.33 0.05 . 1 . . . . 303 . . . 5822 1 65 . 1 1 5 5 THR HB H 1 3.72 0.05 . 1 . . . . 303 . . . 5822 1 66 . 1 1 5 5 THR HG21 H 1 1.13 0.05 . 1 . . . . 303 . . . 5822 1 67 . 1 1 5 5 THR HG22 H 1 1.13 0.05 . 1 . . . . 303 . . . 5822 1 68 . 1 1 5 5 THR HG23 H 1 1.13 0.05 . 1 . . . . 303 . . . 5822 1 69 . 1 1 5 5 THR N N 15 122.59 0.03 . 1 . . . . 303 . . . 5822 1 70 . 1 1 6 6 GLY C C 13 174.81 0.50 . 1 . . . . 304 . . . 5822 1 71 . 1 1 6 6 GLY CA C 13 45.48 0.50 . 1 . . . . 304 . . . 5822 1 72 . 1 1 6 6 GLY H H 1 9.05 0.02 . 1 . . . . 304 . . . 5822 1 73 . 1 1 6 6 GLY HA2 H 1 3.76 0.05 . 1 . . . . 304 . . . 5822 1 74 . 1 1 6 6 GLY HA3 H 1 3.76 0.05 . 1 . . . . 304 . . . 5822 1 75 . 1 1 6 6 GLY N N 15 114.73 0.03 . 1 . . . . 304 . . . 5822 1 76 . 1 1 7 7 ILE C C 13 177.94 0.50 . 1 . . . . 305 . . . 5822 1 77 . 1 1 7 7 ILE CA C 13 65.55 0.50 . 1 . . . . 305 . . . 5822 1 78 . 1 1 7 7 ILE CB C 13 37.14 0.50 . 1 . . . . 305 . . . 5822 1 79 . 1 1 7 7 ILE CD1 C 13 13.05 0.50 . 1 . . . . 305 . . . 5822 1 80 . 1 1 7 7 ILE CG1 C 13 26.66 0.50 . 1 . . . . 305 . . . 5822 1 81 . 1 1 7 7 ILE CG2 C 13 17.98 0.50 . 1 . . . . 305 . . . 5822 1 82 . 1 1 7 7 ILE H H 1 8.65 0.02 . 1 . . . . 305 . . . 5822 1 83 . 1 1 7 7 ILE HA H 1 3.24 0.05 . 1 . . . . 305 . . . 5822 1 84 . 1 1 7 7 ILE HB H 1 1.50 0.05 . 1 . . . . 305 . . . 5822 1 85 . 1 1 7 7 ILE HD11 H 1 0.56 0.05 . 1 . . . . 305 . . . 5822 1 86 . 1 1 7 7 ILE HD12 H 1 0.56 0.05 . 1 . . . . 305 . . . 5822 1 87 . 1 1 7 7 ILE HD13 H 1 0.56 0.05 . 1 . . . . 305 . . . 5822 1 88 . 1 1 7 7 ILE HG12 H 1 1.19 0.05 . 2 . . . . 305 . . . 5822 1 89 . 1 1 7 7 ILE HG13 H 1 0.84 0.05 . 2 . . . . 305 . . . 5822 1 90 . 1 1 7 7 ILE HG21 H 1 0.64 0.05 . 1 . . . . 305 . . . 5822 1 91 . 1 1 7 7 ILE HG22 H 1 0.64 0.05 . 1 . . . . 305 . . . 5822 1 92 . 1 1 7 7 ILE HG23 H 1 0.64 0.05 . 1 . . . . 305 . . . 5822 1 93 . 1 1 7 7 ILE N N 15 124.66 0.03 . 1 . . . . 305 . . . 5822 1 94 . 1 1 8 8 ASP C C 13 179.22 0.50 . 1 . . . . 306 . . . 5822 1 95 . 1 1 8 8 ASP CA C 13 55.29 0.50 . 1 . . . . 306 . . . 5822 1 96 . 1 1 8 8 ASP CB C 13 39.27 0.50 . 1 . . . . 306 . . . 5822 1 97 . 1 1 8 8 ASP H H 1 8.91 0.02 . 1 . . . . 306 . . . 5822 1 98 . 1 1 8 8 ASP HA H 1 4.07 0.05 . 1 . . . . 306 . . . 5822 1 99 . 1 1 8 8 ASP HB2 H 1 2.58 0.05 . 1 . . . . 306 . . . 5822 1 100 . 1 1 8 8 ASP HB3 H 1 2.58 0.05 . 1 . . . . 306 . . . 5822 1 101 . 1 1 8 8 ASP N N 15 116.58 0.03 . 1 . . . . 306 . . . 5822 1 102 . 1 1 9 9 ASP C C 13 177.75 0.50 . 1 . . . . 307 . . . 5822 1 103 . 1 1 9 9 ASP CA C 13 53.95 0.50 . 1 . . . . 307 . . . 5822 1 104 . 1 1 9 9 ASP CB C 13 42.45 0.50 . 1 . . . . 307 . . . 5822 1 105 . 1 1 9 9 ASP H H 1 7.43 0.02 . 1 . . . . 307 . . . 5822 1 106 . 1 1 9 9 ASP HA H 1 4.74 0.05 . 1 . . . . 307 . . . 5822 1 107 . 1 1 9 9 ASP HB2 H 1 2.66 0.05 . 2 . . . . 307 . . . 5822 1 108 . 1 1 9 9 ASP HB3 H 1 2.37 0.05 . 2 . . . . 307 . . . 5822 1 109 . 1 1 9 9 ASP N N 15 119.74 0.03 . 1 . . . . 307 . . . 5822 1 110 . 1 1 10 10 LEU C C 13 178.81 0.50 . 1 . . . . 308 . . . 5822 1 111 . 1 1 10 10 LEU CA C 13 57.66 0.50 . 1 . . . . 308 . . . 5822 1 112 . 1 1 10 10 LEU CB C 13 41.94 0.50 . 1 . . . . 308 . . . 5822 1 113 . 1 1 10 10 LEU CD1 C 13 26.52 0.50 . 2 . . . . 308 . . . 5822 1 114 . 1 1 10 10 LEU CD2 C 13 23.66 0.50 . 2 . . . . 308 . . . 5822 1 115 . 1 1 10 10 LEU CG C 13 26.44 0.50 . 1 . . . . 308 . . . 5822 1 116 . 1 1 10 10 LEU H H 1 7.35 0.02 . 1 . . . . 308 . . . 5822 1 117 . 1 1 10 10 LEU HA H 1 3.69 0.05 . 1 . . . . 308 . . . 5822 1 118 . 1 1 10 10 LEU HB2 H 1 1.71 0.05 . 2 . . . . 308 . . . 5822 1 119 . 1 1 10 10 LEU HB3 H 1 1.14 0.05 . 2 . . . . 308 . . . 5822 1 120 . 1 1 10 10 LEU HD11 H 1 0.72 0.05 . 2 . . . . 308 . . . 5822 1 121 . 1 1 10 10 LEU HD12 H 1 0.72 0.05 . 2 . . . . 308 . . . 5822 1 122 . 1 1 10 10 LEU HD13 H 1 0.72 0.05 . 2 . . . . 308 . . . 5822 1 123 . 1 1 10 10 LEU HD21 H 1 0.58 0.05 . 2 . . . . 308 . . . 5822 1 124 . 1 1 10 10 LEU HD22 H 1 0.58 0.05 . 2 . . . . 308 . . . 5822 1 125 . 1 1 10 10 LEU HD23 H 1 0.58 0.05 . 2 . . . . 308 . . . 5822 1 126 . 1 1 10 10 LEU HG H 1 1.77 0.05 . 1 . . . . 308 . . . 5822 1 127 . 1 1 10 10 LEU N N 15 120.76 0.03 . 1 . . . . 308 . . . 5822 1 128 . 1 1 11 11 GLU C C 13 176.10 0.50 . 1 . . . . 309 . . . 5822 1 129 . 1 1 11 11 GLU CA C 13 58.44 0.50 . 1 . . . . 309 . . . 5822 1 130 . 1 1 11 11 GLU CB C 13 29.30 0.50 . 1 . . . . 309 . . . 5822 1 131 . 1 1 11 11 GLU CG C 13 35.65 0.50 . 1 . . . . 309 . . . 5822 1 132 . 1 1 11 11 GLU H H 1 7.95 0.02 . 1 . . . . 309 . . . 5822 1 133 . 1 1 11 11 GLU HA H 1 3.81 0.05 . 1 . . . . 309 . . . 5822 1 134 . 1 1 11 11 GLU HB2 H 1 1.87 0.05 . 2 . . . . 309 . . . 5822 1 135 . 1 1 11 11 GLU HB3 H 1 1.80 0.05 . 2 . . . . 309 . . . 5822 1 136 . 1 1 11 11 GLU HG2 H 1 2.07 0.05 . 2 . . . . 309 . . . 5822 1 137 . 1 1 11 11 GLU HG3 H 1 1.99 0.05 . 2 . . . . 309 . . . 5822 1 138 . 1 1 11 11 GLU N N 15 116.53 0.03 . 1 . . . . 309 . . . 5822 1 139 . 1 1 12 12 ASN C C 13 175.14 0.50 . 1 . . . . 310 . . . 5822 1 140 . 1 1 12 12 ASN CA C 13 53.08 0.50 . 1 . . . . 310 . . . 5822 1 141 . 1 1 12 12 ASN CB C 13 39.20 0.50 . 1 . . . . 310 . . . 5822 1 142 . 1 1 12 12 ASN H H 1 7.48 0.02 . 1 . . . . 310 . . . 5822 1 143 . 1 1 12 12 ASN HA H 1 4.66 0.05 . 1 . . . . 310 . . . 5822 1 144 . 1 1 12 12 ASN HB2 H 1 2.82 0.05 . 2 . . . . 310 . . . 5822 1 145 . 1 1 12 12 ASN HB3 H 1 2.60 0.05 . 2 . . . . 310 . . . 5822 1 146 . 1 1 12 12 ASN HD21 H 1 6.95 0.05 . 2 . . . . 310 . . . 5822 1 147 . 1 1 12 12 ASN HD22 H 1 7.80 0.05 . 2 . . . . 310 . . . 5822 1 148 . 1 1 12 12 ASN N N 15 114.32 0.03 . 1 . . . . 310 . . . 5822 1 149 . 1 1 12 12 ASN ND2 N 15 116.04 0.03 . 1 . . . . 310 . . . 5822 1 150 . 1 1 13 13 LYS C C 13 175.91 0.50 . 1 . . . . 311 . . . 5822 1 151 . 1 1 13 13 LYS CA C 13 52.91 0.50 . 1 . . . . 311 . . . 5822 1 152 . 1 1 13 13 LYS CB C 13 32.61 0.50 . 1 . . . . 311 . . . 5822 1 153 . 1 1 13 13 LYS H H 1 7.40 0.02 . 1 . . . . 311 . . . 5822 1 154 . 1 1 13 13 LYS HA H 1 4.46 0.05 . 1 . . . . 311 . . . 5822 1 155 . 1 1 13 13 LYS HB2 H 1 1.95 0.05 . 1 . . . . 311 . . . 5822 1 156 . 1 1 13 13 LYS HB3 H 1 1.95 0.05 . 1 . . . . 311 . . . 5822 1 157 . 1 1 13 13 LYS HG2 H 1 1.56 0.05 . 1 . . . . 311 . . . 5822 1 158 . 1 1 13 13 LYS HG3 H 1 1.56 0.05 . 1 . . . . 311 . . . 5822 1 159 . 1 1 13 13 LYS N N 15 120.11 0.03 . 1 . . . . 311 . . . 5822 1 160 . 1 1 14 14 SER C C 13 175.37 0.50 . 1 . . . . 312 . . . 5822 1 161 . 1 1 14 14 SER CA C 13 57.33 0.50 . 1 . . . . 312 . . . 5822 1 162 . 1 1 14 14 SER CB C 13 64.23 0.50 . 1 . . . . 312 . . . 5822 1 163 . 1 1 14 14 SER H H 1 8.41 0.02 . 1 . . . . 312 . . . 5822 1 164 . 1 1 14 14 SER HA H 1 4.60 0.05 . 1 . . . . 312 . . . 5822 1 165 . 1 1 14 14 SER HB2 H 1 3.74 0.05 . 1 . . . . 312 . . . 5822 1 166 . 1 1 14 14 SER HB3 H 1 3.74 0.05 . 1 . . . . 312 . . . 5822 1 167 . 1 1 14 14 SER N N 15 116.99 0.03 . 1 . . . . 312 . . . 5822 1 168 . 1 1 15 15 LYS C C 13 175.91 0.50 . 1 . . . . 313 . . . 5822 1 169 . 1 1 15 15 LYS CA C 13 58.52 0.50 . 1 . . . . 313 . . . 5822 1 170 . 1 1 15 15 LYS CB C 13 32.23 0.50 . 1 . . . . 313 . . . 5822 1 171 . 1 1 15 15 LYS CD C 13 29.39 0.50 . 1 . . . . 313 . . . 5822 1 172 . 1 1 15 15 LYS CE C 13 41.90 0.50 . 1 . . . . 313 . . . 5822 1 173 . 1 1 15 15 LYS CG C 13 24.60 0.50 . 1 . . . . 313 . . . 5822 1 174 . 1 1 15 15 LYS H H 1 8.53 0.02 . 1 . . . . 313 . . . 5822 1 175 . 1 1 15 15 LYS HA H 1 3.42 0.05 . 1 . . . . 313 . . . 5822 1 176 . 1 1 15 15 LYS HB2 H 1 1.43 0.05 . 2 . . . . 313 . . . 5822 1 177 . 1 1 15 15 LYS HB3 H 1 1.39 0.05 . 2 . . . . 313 . . . 5822 1 178 . 1 1 15 15 LYS HD2 H 1 1.33 0.05 . 1 . . . . 313 . . . 5822 1 179 . 1 1 15 15 LYS HD3 H 1 1.33 0.05 . 1 . . . . 313 . . . 5822 1 180 . 1 1 15 15 LYS HE2 H 1 2.78 0.05 . 1 . . . . 313 . . . 5822 1 181 . 1 1 15 15 LYS HE3 H 1 2.78 0.05 . 1 . . . . 313 . . . 5822 1 182 . 1 1 15 15 LYS HG2 H 1 1.20 0.05 . 2 . . . . 313 . . . 5822 1 183 . 1 1 15 15 LYS HG3 H 1 1.04 0.05 . 2 . . . . 313 . . . 5822 1 184 . 1 1 15 15 LYS N N 15 125.63 0.03 . 1 . . . . 313 . . . 5822 1 185 . 1 1 16 16 ASP C C 13 175.13 0.50 . 1 . . . . 314 . . . 5822 1 186 . 1 1 16 16 ASP CA C 13 57.38 0.50 . 1 . . . . 314 . . . 5822 1 187 . 1 1 16 16 ASP CB C 13 38.97 0.50 . 1 . . . . 314 . . . 5822 1 188 . 1 1 16 16 ASP H H 1 8.82 0.02 . 1 . . . . 314 . . . 5822 1 189 . 1 1 16 16 ASP HA H 1 4.10 0.05 . 1 . . . . 314 . . . 5822 1 190 . 1 1 16 16 ASP HB2 H 1 3.06 0.05 . 2 . . . . 314 . . . 5822 1 191 . 1 1 16 16 ASP HB3 H 1 2.73 0.05 . 2 . . . . 314 . . . 5822 1 192 . 1 1 16 16 ASP N N 15 119.40 0.03 . 1 . . . . 314 . . . 5822 1 193 . 1 1 17 17 SER C C 13 180.72 0.50 . 1 . . . . 315 . . . 5822 1 194 . 1 1 17 17 SER CA C 13 59.32 0.50 . 1 . . . . 315 . . . 5822 1 195 . 1 1 17 17 SER CB C 13 64.23 0.50 . 1 . . . . 315 . . . 5822 1 196 . 1 1 17 17 SER H H 1 7.64 0.02 . 1 . . . . 315 . . . 5822 1 197 . 1 1 17 17 SER HA H 1 4.23 0.05 . 1 . . . . 315 . . . 5822 1 198 . 1 1 17 17 SER HB2 H 1 3.73 0.05 . 1 . . . . 315 . . . 5822 1 199 . 1 1 17 17 SER HB3 H 1 3.73 0.05 . 1 . . . . 315 . . . 5822 1 200 . 1 1 17 17 SER N N 15 115.55 0.03 . 1 . . . . 315 . . . 5822 1 201 . 1 1 18 18 LEU C C 13 177.88 0.50 . 1 . . . . 316 . . . 5822 1 202 . 1 1 18 18 LEU CA C 13 53.56 0.50 . 1 . . . . 316 . . . 5822 1 203 . 1 1 18 18 LEU CB C 13 43.33 0.50 . 1 . . . . 316 . . . 5822 1 204 . 1 1 18 18 LEU CD1 C 13 26.90 0.50 . 2 . . . . 316 . . . 5822 1 205 . 1 1 18 18 LEU CD2 C 13 25.17 0.50 . 2 . . . . 316 . . . 5822 1 206 . 1 1 18 18 LEU CG C 13 26.90 0.50 . 1 . . . . 316 . . . 5822 1 207 . 1 1 18 18 LEU H H 1 8.25 0.02 . 1 . . . . 316 . . . 5822 1 208 . 1 1 18 18 LEU HA H 1 5.23 0.05 . 1 . . . . 316 . . . 5822 1 209 . 1 1 18 18 LEU HB2 H 1 1.55 0.05 . 2 . . . . 316 . . . 5822 1 210 . 1 1 18 18 LEU HB3 H 1 1.09 0.05 . 2 . . . . 316 . . . 5822 1 211 . 1 1 18 18 LEU HD11 H 1 0.68 0.05 . 2 . . . . 316 . . . 5822 1 212 . 1 1 18 18 LEU HD12 H 1 0.68 0.05 . 2 . . . . 316 . . . 5822 1 213 . 1 1 18 18 LEU HD13 H 1 0.68 0.05 . 2 . . . . 316 . . . 5822 1 214 . 1 1 18 18 LEU HD21 H 1 0.52 0.05 . 2 . . . . 316 . . . 5822 1 215 . 1 1 18 18 LEU HD22 H 1 0.52 0.05 . 2 . . . . 316 . . . 5822 1 216 . 1 1 18 18 LEU HD23 H 1 0.52 0.05 . 2 . . . . 316 . . . 5822 1 217 . 1 1 18 18 LEU HG H 1 1.48 0.05 . 1 . . . . 316 . . . 5822 1 218 . 1 1 18 18 LEU N N 15 122.48 0.03 . 1 . . . . 316 . . . 5822 1 219 . 1 1 19 19 VAL C C 13 172.98 0.50 . 1 . . . . 317 . . . 5822 1 220 . 1 1 19 19 VAL CA C 13 58.75 0.50 . 1 . . . . 317 . . . 5822 1 221 . 1 1 19 19 VAL CB C 13 36.62 0.50 . 1 . . . . 317 . . . 5822 1 222 . 1 1 19 19 VAL CG1 C 13 18.79 0.50 . 2 . . . . 317 . . . 5822 1 223 . 1 1 19 19 VAL CG2 C 13 22.33 0.50 . 2 . . . . 317 . . . 5822 1 224 . 1 1 19 19 VAL H H 1 9.06 0.02 . 1 . . . . 317 . . . 5822 1 225 . 1 1 19 19 VAL HA H 1 4.57 0.05 . 1 . . . . 317 . . . 5822 1 226 . 1 1 19 19 VAL HB H 1 1.91 0.05 . 1 . . . . 317 . . . 5822 1 227 . 1 1 19 19 VAL HG11 H 1 0.47 0.05 . 2 . . . . 317 . . . 5822 1 228 . 1 1 19 19 VAL HG12 H 1 0.47 0.05 . 2 . . . . 317 . . . 5822 1 229 . 1 1 19 19 VAL HG13 H 1 0.47 0.05 . 2 . . . . 317 . . . 5822 1 230 . 1 1 19 19 VAL HG21 H 1 0.60 0.05 . 2 . . . . 317 . . . 5822 1 231 . 1 1 19 19 VAL HG22 H 1 0.60 0.05 . 2 . . . . 317 . . . 5822 1 232 . 1 1 19 19 VAL HG23 H 1 0.60 0.05 . 2 . . . . 317 . . . 5822 1 233 . 1 1 19 19 VAL N N 15 116.54 0.03 . 1 . . . . 317 . . . 5822 1 234 . 1 1 20 20 ASP C C 13 175.61 0.50 . 1 . . . . 318 . . . 5822 1 235 . 1 1 20 20 ASP CA C 13 52.03 0.50 . 1 . . . . 318 . . . 5822 1 236 . 1 1 20 20 ASP CB C 13 41.17 0.50 . 1 . . . . 318 . . . 5822 1 237 . 1 1 20 20 ASP H H 1 8.58 0.02 . 1 . . . . 318 . . . 5822 1 238 . 1 1 20 20 ASP HA H 1 5.82 0.05 . 1 . . . . 318 . . . 5822 1 239 . 1 1 20 20 ASP HB2 H 1 2.49 0.05 . 1 . . . . 318 . . . 5822 1 240 . 1 1 20 20 ASP HB3 H 1 2.49 0.05 . 1 . . . . 318 . . . 5822 1 241 . 1 1 20 20 ASP N N 15 122.41 0.03 . 1 . . . . 318 . . . 5822 1 242 . 1 1 21 21 ILE C C 13 181.28 0.50 . 1 . . . . 319 . . . 5822 1 243 . 1 1 21 21 ILE CA C 13 57.72 0.50 . 1 . . . . 319 . . . 5822 1 244 . 1 1 21 21 ILE CB C 13 43.12 0.50 . 1 . . . . 319 . . . 5822 1 245 . 1 1 21 21 ILE CD1 C 13 12.64 0.50 . 1 . . . . 319 . . . 5822 1 246 . 1 1 21 21 ILE CG1 C 13 26.56 0.50 . 1 . . . . 319 . . . 5822 1 247 . 1 1 21 21 ILE CG2 C 13 17.43 0.50 . 1 . . . . 319 . . . 5822 1 248 . 1 1 21 21 ILE H H 1 8.90 0.02 . 1 . . . . 319 . . . 5822 1 249 . 1 1 21 21 ILE HA H 1 4.88 0.05 . 1 . . . . 319 . . . 5822 1 250 . 1 1 21 21 ILE HB H 1 1.51 0.05 . 1 . . . . 319 . . . 5822 1 251 . 1 1 21 21 ILE HD11 H 1 0.64 0.05 . 1 . . . . 319 . . . 5822 1 252 . 1 1 21 21 ILE HD12 H 1 0.64 0.05 . 1 . . . . 319 . . . 5822 1 253 . 1 1 21 21 ILE HD13 H 1 0.64 0.05 . 1 . . . . 319 . . . 5822 1 254 . 1 1 21 21 ILE HG12 H 1 1.19 0.05 . 2 . . . . 319 . . . 5822 1 255 . 1 1 21 21 ILE HG13 H 1 0.83 0.05 . 2 . . . . 319 . . . 5822 1 256 . 1 1 21 21 ILE HG21 H 1 0.40 0.05 . 1 . . . . 319 . . . 5822 1 257 . 1 1 21 21 ILE HG22 H 1 0.40 0.05 . 1 . . . . 319 . . . 5822 1 258 . 1 1 21 21 ILE HG23 H 1 0.40 0.05 . 1 . . . . 319 . . . 5822 1 259 . 1 1 21 21 ILE N N 15 119.41 0.03 . 1 . . . . 319 . . . 5822 1 260 . 1 1 22 22 ILE C C 13 181.12 0.50 . 1 . . . . 320 . . . 5822 1 261 . 1 1 22 22 ILE CA C 13 57.94 0.50 . 1 . . . . 320 . . . 5822 1 262 . 1 1 22 22 ILE CB C 13 40.42 0.50 . 1 . . . . 320 . . . 5822 1 263 . 1 1 22 22 ILE CD1 C 13 13.13 0.50 . 1 . . . . 320 . . . 5822 1 264 . 1 1 22 22 ILE CG1 C 13 27.96 0.50 . 1 . . . . 320 . . . 5822 1 265 . 1 1 22 22 ILE CG2 C 13 14.09 0.50 . 1 . . . . 320 . . . 5822 1 266 . 1 1 22 22 ILE H H 1 8.76 0.02 . 1 . . . . 320 . . . 5822 1 267 . 1 1 22 22 ILE HA H 1 5.06 0.05 . 1 . . . . 320 . . . 5822 1 268 . 1 1 22 22 ILE HB H 1 0.47 0.05 . 1 . . . . 320 . . . 5822 1 269 . 1 1 22 22 ILE HD11 H 1 -0.32 0.05 . 1 . . . . 320 . . . 5822 1 270 . 1 1 22 22 ILE HD12 H 1 -0.32 0.05 . 1 . . . . 320 . . . 5822 1 271 . 1 1 22 22 ILE HD13 H 1 -0.32 0.05 . 1 . . . . 320 . . . 5822 1 272 . 1 1 22 22 ILE HG12 H 1 0.23 0.05 . 2 . . . . 320 . . . 5822 1 273 . 1 1 22 22 ILE HG13 H 1 0.90 0.05 . 2 . . . . 320 . . . 5822 1 274 . 1 1 22 22 ILE HG21 H 1 0.07 0.05 . 1 . . . . 320 . . . 5822 1 275 . 1 1 22 22 ILE HG22 H 1 0.07 0.05 . 1 . . . . 320 . . . 5822 1 276 . 1 1 22 22 ILE HG23 H 1 0.07 0.05 . 1 . . . . 320 . . . 5822 1 277 . 1 1 22 22 ILE N N 15 123.46 0.03 . 1 . . . . 320 . . . 5822 1 278 . 1 1 23 23 GLY C C 13 179.78 0.50 . 1 . . . . 321 . . . 5822 1 279 . 1 1 23 23 GLY CA C 13 45.08 0.50 . 1 . . . . 321 . . . 5822 1 280 . 1 1 23 23 GLY H H 1 7.87 0.02 . 1 . . . . 321 . . . 5822 1 281 . 1 1 23 23 GLY HA2 H 1 4.14 0.05 . 2 . . . . 321 . . . 5822 1 282 . 1 1 23 23 GLY HA3 H 1 3.14 0.05 . 2 . . . . 321 . . . 5822 1 283 . 1 1 23 23 GLY N N 15 107.42 0.03 . 1 . . . . 321 . . . 5822 1 284 . 1 1 24 24 ILE C C 13 175.96 0.50 . 1 . . . . 322 . . . 5822 1 285 . 1 1 24 24 ILE CA C 13 58.96 0.50 . 1 . . . . 322 . . . 5822 1 286 . 1 1 24 24 ILE CB C 13 39.78 0.50 . 1 . . . . 322 . . . 5822 1 287 . 1 1 24 24 ILE CD1 C 13 12.55 0.50 . 1 . . . . 322 . . . 5822 1 288 . 1 1 24 24 ILE CG1 C 13 27.80 0.50 . 1 . . . . 322 . . . 5822 1 289 . 1 1 24 24 ILE CG2 C 13 15.18 0.50 . 1 . . . . 322 . . . 5822 1 290 . 1 1 24 24 ILE H H 1 9.17 0.02 . 1 . . . . 322 . . . 5822 1 291 . 1 1 24 24 ILE HA H 1 4.17 0.05 . 1 . . . . 322 . . . 5822 1 292 . 1 1 24 24 ILE HB H 1 1.33 0.05 . 1 . . . . 322 . . . 5822 1 293 . 1 1 24 24 ILE HD11 H 1 0.33 0.05 . 1 . . . . 322 . . . 5822 1 294 . 1 1 24 24 ILE HD12 H 1 0.33 0.05 . 1 . . . . 322 . . . 5822 1 295 . 1 1 24 24 ILE HD13 H 1 0.33 0.05 . 1 . . . . 322 . . . 5822 1 296 . 1 1 24 24 ILE HG12 H 1 1.07 0.05 . 2 . . . . 322 . . . 5822 1 297 . 1 1 24 24 ILE HG13 H 1 0.84 0.05 . 2 . . . . 322 . . . 5822 1 298 . 1 1 24 24 ILE HG21 H 1 -0.22 0.05 . 1 . . . . 322 . . . 5822 1 299 . 1 1 24 24 ILE HG22 H 1 -0.22 0.05 . 1 . . . . 322 . . . 5822 1 300 . 1 1 24 24 ILE HG23 H 1 -0.22 0.05 . 1 . . . . 322 . . . 5822 1 301 . 1 1 24 24 ILE N N 15 121.21 0.03 . 1 . . . . 322 . . . 5822 1 302 . 1 1 25 25 CYS C C 13 181.19 0.50 . 1 . . . . 323 . . . 5822 1 303 . 1 1 25 25 CYS CA C 13 58.22 0.50 . 1 . . . . 323 . . . 5822 1 304 . 1 1 25 25 CYS CB C 13 25.24 0.50 . 1 . . . . 323 . . . 5822 1 305 . 1 1 25 25 CYS H H 1 8.42 0.02 . 1 . . . . 323 . . . 5822 1 306 . 1 1 25 25 CYS HA H 1 4.80 0.05 . 1 . . . . 323 . . . 5822 1 307 . 1 1 25 25 CYS HB2 H 1 2.85 0.05 . 2 . . . . 323 . . . 5822 1 308 . 1 1 25 25 CYS HB3 H 1 2.35 0.05 . 2 . . . . 323 . . . 5822 1 309 . 1 1 25 25 CYS N N 15 126.81 0.03 . 1 . . . . 323 . . . 5822 1 310 . 1 1 26 26 LYS C C 13 175.62 0.50 . 1 . . . . 324 . . . 5822 1 311 . 1 1 26 26 LYS CA C 13 58.43 0.50 . 1 . . . . 324 . . . 5822 1 312 . 1 1 26 26 LYS CB C 13 33.73 0.50 . 1 . . . . 324 . . . 5822 1 313 . 1 1 26 26 LYS CD C 13 29.39 0.50 . 1 . . . . 324 . . . 5822 1 314 . 1 1 26 26 LYS CE C 13 41.90 0.50 . 1 . . . . 324 . . . 5822 1 315 . 1 1 26 26 LYS CG C 13 24.75 0.50 . 1 . . . . 324 . . . 5822 1 316 . 1 1 26 26 LYS H H 1 8.66 0.02 . 1 . . . . 324 . . . 5822 1 317 . 1 1 26 26 LYS HA H 1 3.84 0.05 . 1 . . . . 324 . . . 5822 1 318 . 1 1 26 26 LYS HB2 H 1 1.64 0.05 . 1 . . . . 324 . . . 5822 1 319 . 1 1 26 26 LYS HB3 H 1 1.64 0.05 . 1 . . . . 324 . . . 5822 1 320 . 1 1 26 26 LYS HD2 H 1 1.54 0.05 . 2 . . . . 324 . . . 5822 1 321 . 1 1 26 26 LYS HD3 H 1 1.70 0.05 . 2 . . . . 324 . . . 5822 1 322 . 1 1 26 26 LYS HE2 H 1 2.84 0.05 . 1 . . . . 324 . . . 5822 1 323 . 1 1 26 26 LYS HE3 H 1 2.84 0.05 . 1 . . . . 324 . . . 5822 1 324 . 1 1 26 26 LYS HG2 H 1 1.38 0.05 . 1 . . . . 324 . . . 5822 1 325 . 1 1 26 26 LYS HG3 H 1 1.38 0.05 . 1 . . . . 324 . . . 5822 1 326 . 1 1 26 26 LYS N N 15 134.79 0.03 . 1 . . . . 324 . . . 5822 1 327 . 1 1 27 27 SER C C 13 180.24 0.50 . 1 . . . . 325 . . . 5822 1 328 . 1 1 27 27 SER CA C 13 64.29 0.50 . 1 . . . . 325 . . . 5822 1 329 . 1 1 27 27 SER CB C 13 57.11 0.50 . 1 . . . . 325 . . . 5822 1 330 . 1 1 27 27 SER H H 1 7.96 0.02 . 1 . . . . 325 . . . 5822 1 331 . 1 1 27 27 SER HA H 1 4.56 0.05 . 1 . . . . 325 . . . 5822 1 332 . 1 1 27 27 SER HB2 H 1 3.80 0.05 . 1 . . . . 325 . . . 5822 1 333 . 1 1 27 27 SER HB3 H 1 3.80 0.05 . 1 . . . . 325 . . . 5822 1 334 . 1 1 27 27 SER N N 15 108.50 0.03 . 1 . . . . 325 . . . 5822 1 335 . 1 1 28 28 TYR C C 13 172.90 0.50 . 1 . . . . 326 . . . 5822 1 336 . 1 1 28 28 TYR CA C 13 56.48 0.50 . 1 . . . . 326 . . . 5822 1 337 . 1 1 28 28 TYR CB C 13 40.44 0.50 . 1 . . . . 326 . . . 5822 1 338 . 1 1 28 28 TYR CD1 C 13 132.41 0.50 . 1 . . . . 326 . . . 5822 1 339 . 1 1 28 28 TYR CD2 C 13 132.41 0.50 . 1 . . . . 326 . . . 5822 1 340 . 1 1 28 28 TYR CE1 C 13 119.06 0.50 . 1 . . . . 326 . . . 5822 1 341 . 1 1 28 28 TYR CE2 C 13 119.06 0.50 . 1 . . . . 326 . . . 5822 1 342 . 1 1 28 28 TYR H H 1 8.17 0.02 . 1 . . . . 326 . . . 5822 1 343 . 1 1 28 28 TYR HA H 1 4.92 0.05 . 1 . . . . 326 . . . 5822 1 344 . 1 1 28 28 TYR HB2 H 1 3.12 0.05 . 2 . . . . 326 . . . 5822 1 345 . 1 1 28 28 TYR HB3 H 1 2.85 0.05 . 2 . . . . 326 . . . 5822 1 346 . 1 1 28 28 TYR HD1 H 1 7.03 0.05 . 1 . . . . 326 . . . 5822 1 347 . 1 1 28 28 TYR HD2 H 1 7.03 0.05 . 1 . . . . 326 . . . 5822 1 348 . 1 1 28 28 TYR HE1 H 1 6.70 0.05 . 1 . . . . 326 . . . 5822 1 349 . 1 1 28 28 TYR HE2 H 1 6.70 0.05 . 1 . . . . 326 . . . 5822 1 350 . 1 1 28 28 TYR N N 15 114.90 0.03 . 1 . . . . 326 . . . 5822 1 351 . 1 1 29 29 GLU C C 13 176.83 0.50 . 1 . . . . 327 . . . 5822 1 352 . 1 1 29 29 GLU CA C 13 54.34 0.50 . 1 . . . . 327 . . . 5822 1 353 . 1 1 29 29 GLU CB C 13 32.58 0.50 . 1 . . . . 327 . . . 5822 1 354 . 1 1 29 29 GLU H H 1 7.93 0.02 . 1 . . . . 327 . . . 5822 1 355 . 1 1 29 29 GLU HA H 1 4.46 0.05 . 1 . . . . 327 . . . 5822 1 356 . 1 1 29 29 GLU HB2 H 1 2.12 0.05 . 1 . . . . 327 . . . 5822 1 357 . 1 1 29 29 GLU HB3 H 1 2.12 0.05 . 1 . . . . 327 . . . 5822 1 358 . 1 1 29 29 GLU N N 15 120.35 0.03 . 1 . . . . 327 . . . 5822 1 359 . 1 1 30 30 ASP C C 13 176.59 0.50 . 1 . . . . 328 . . . 5822 1 360 . 1 1 30 30 ASP CA C 13 55.16 0.50 . 1 . . . . 328 . . . 5822 1 361 . 1 1 30 30 ASP CB C 13 41.04 0.50 . 1 . . . . 328 . . . 5822 1 362 . 1 1 30 30 ASP H H 1 8.34 0.02 . 1 . . . . 328 . . . 5822 1 363 . 1 1 30 30 ASP HA H 1 4.47 0.05 . 1 . . . . 328 . . . 5822 1 364 . 1 1 30 30 ASP HB2 H 1 2.63 0.05 . 2 . . . . 328 . . . 5822 1 365 . 1 1 30 30 ASP HB3 H 1 2.38 0.05 . 2 . . . . 328 . . . 5822 1 366 . 1 1 30 30 ASP N N 15 119.55 0.03 . 1 . . . . 328 . . . 5822 1 367 . 1 1 31 31 ALA C C 13 177.51 0.50 . 1 . . . . 329 . . . 5822 1 368 . 1 1 31 31 ALA CA C 13 51.87 0.50 . 1 . . . . 329 . . . 5822 1 369 . 1 1 31 31 ALA CB C 13 18.88 0.50 . 1 . . . . 329 . . . 5822 1 370 . 1 1 31 31 ALA H H 1 8.52 0.02 . 1 . . . . 329 . . . 5822 1 371 . 1 1 31 31 ALA HA H 1 4.53 0.05 . 1 . . . . 329 . . . 5822 1 372 . 1 1 31 31 ALA HB1 H 1 1.15 0.05 . 1 . . . . 329 . . . 5822 1 373 . 1 1 31 31 ALA HB2 H 1 1.15 0.05 . 1 . . . . 329 . . . 5822 1 374 . 1 1 31 31 ALA HB3 H 1 1.15 0.05 . 1 . . . . 329 . . . 5822 1 375 . 1 1 31 31 ALA N N 15 125.07 0.03 . 1 . . . . 329 . . . 5822 1 376 . 1 1 32 32 THR C C 13 175.41 0.50 . 1 . . . . 330 . . . 5822 1 377 . 1 1 32 32 THR CA C 13 59.79 0.50 . 1 . . . . 330 . . . 5822 1 378 . 1 1 32 32 THR CB C 13 70.94 0.50 . 1 . . . . 330 . . . 5822 1 379 . 1 1 32 32 THR CG2 C 13 24.07 0.50 . 1 . . . . 330 . . . 5822 1 380 . 1 1 32 32 THR H H 1 8.89 0.02 . 1 . . . . 330 . . . 5822 1 381 . 1 1 32 32 THR HA H 1 4.47 0.05 . 1 . . . . 330 . . . 5822 1 382 . 1 1 32 32 THR HB H 1 4.02 0.05 . 1 . . . . 330 . . . 5822 1 383 . 1 1 32 32 THR HG21 H 1 0.97 0.05 . 1 . . . . 330 . . . 5822 1 384 . 1 1 32 32 THR HG22 H 1 0.97 0.05 . 1 . . . . 330 . . . 5822 1 385 . 1 1 32 32 THR HG23 H 1 0.97 0.05 . 1 . . . . 330 . . . 5822 1 386 . 1 1 32 32 THR N N 15 115.00 0.03 . 1 . . . . 330 . . . 5822 1 387 . 1 1 33 33 LYS C C 13 176.10 0.50 . 1 . . . . 331 . . . 5822 1 388 . 1 1 33 33 LYS CA C 13 55.07 0.50 . 1 . . . . 331 . . . 5822 1 389 . 1 1 33 33 LYS CB C 13 34.67 0.50 . 1 . . . . 331 . . . 5822 1 390 . 1 1 33 33 LYS CD C 13 28.84 0.50 . 1 . . . . 331 . . . 5822 1 391 . 1 1 33 33 LYS CE C 13 41.95 0.50 . 1 . . . . 331 . . . 5822 1 392 . 1 1 33 33 LYS CG C 13 24.72 0.50 . 1 . . . . 331 . . . 5822 1 393 . 1 1 33 33 LYS H H 1 8.14 0.02 . 1 . . . . 331 . . . 5822 1 394 . 1 1 33 33 LYS HA H 1 4.85 0.05 . 1 . . . . 331 . . . 5822 1 395 . 1 1 33 33 LYS HB2 H 1 1.40 0.05 . 2 . . . . 331 . . . 5822 1 396 . 1 1 33 33 LYS HB3 H 1 1.52 0.05 . 2 . . . . 331 . . . 5822 1 397 . 1 1 33 33 LYS HD2 H 1 1.33 0.05 . 1 . . . . 331 . . . 5822 1 398 . 1 1 33 33 LYS HD3 H 1 1.33 0.05 . 1 . . . . 331 . . . 5822 1 399 . 1 1 33 33 LYS HE2 H 1 2.76 0.05 . 1 . . . . 331 . . . 5822 1 400 . 1 1 33 33 LYS HE3 H 1 2.76 0.05 . 1 . . . . 331 . . . 5822 1 401 . 1 1 33 33 LYS HG2 H 1 1.23 0.05 . 2 . . . . 331 . . . 5822 1 402 . 1 1 33 33 LYS HG3 H 1 1.09 0.05 . 2 . . . . 331 . . . 5822 1 403 . 1 1 33 33 LYS N N 15 120.80 0.03 . 1 . . . . 331 . . . 5822 1 404 . 1 1 34 34 ILE C C 13 174.80 0.50 . 1 . . . . 332 . . . 5822 1 405 . 1 1 34 34 ILE CA C 13 59.06 0.50 . 1 . . . . 332 . . . 5822 1 406 . 1 1 34 34 ILE CB C 13 41.29 0.50 . 1 . . . . 332 . . . 5822 1 407 . 1 1 34 34 ILE CD1 C 13 13.93 0.50 . 1 . . . . 332 . . . 5822 1 408 . 1 1 34 34 ILE CG1 C 13 27.06 0.50 . 1 . . . . 332 . . . 5822 1 409 . 1 1 34 34 ILE CG2 C 13 18.14 0.50 . 1 . . . . 332 . . . 5822 1 410 . 1 1 34 34 ILE H H 1 8.78 0.02 . 1 . . . . 332 . . . 5822 1 411 . 1 1 34 34 ILE HA H 1 4.52 0.05 . 1 . . . . 332 . . . 5822 1 412 . 1 1 34 34 ILE HB H 1 1.84 0.05 . 1 . . . . 332 . . . 5822 1 413 . 1 1 34 34 ILE HD11 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 414 . 1 1 34 34 ILE HD12 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 415 . 1 1 34 34 ILE HD13 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 416 . 1 1 34 34 ILE HG12 H 1 1.37 0.05 . 2 . . . . 332 . . . 5822 1 417 . 1 1 34 34 ILE HG13 H 1 1.11 0.05 . 2 . . . . 332 . . . 5822 1 418 . 1 1 34 34 ILE HG21 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 419 . 1 1 34 34 ILE HG22 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 420 . 1 1 34 34 ILE HG23 H 1 0.77 0.05 . 1 . . . . 332 . . . 5822 1 421 . 1 1 34 34 ILE N N 15 121.42 0.03 . 1 . . . . 332 . . . 5822 1 422 . 1 1 35 35 THR C C 13 174.40 0.50 . 1 . . . . 333 . . . 5822 1 423 . 1 1 35 35 THR CA C 13 62.13 0.50 . 1 . . . . 333 . . . 5822 1 424 . 1 1 35 35 THR CB C 13 69.54 0.50 . 1 . . . . 333 . . . 5822 1 425 . 1 1 35 35 THR CG2 C 13 21.74 0.50 . 1 . . . . 333 . . . 5822 1 426 . 1 1 35 35 THR H H 1 8.27 0.02 . 1 . . . . 333 . . . 5822 1 427 . 1 1 35 35 THR HA H 1 4.54 0.05 . 1 . . . . 333 . . . 5822 1 428 . 1 1 35 35 THR HB H 1 3.86 0.05 . 1 . . . . 333 . . . 5822 1 429 . 1 1 35 35 THR HG21 H 1 0.92 0.05 . 1 . . . . 333 . . . 5822 1 430 . 1 1 35 35 THR HG22 H 1 0.92 0.05 . 1 . . . . 333 . . . 5822 1 431 . 1 1 35 35 THR HG23 H 1 0.92 0.05 . 1 . . . . 333 . . . 5822 1 432 . 1 1 35 35 THR N N 15 119.16 0.03 . 1 . . . . 333 . . . 5822 1 433 . 1 1 36 36 VAL C C 13 176.32 0.50 . 1 . . . . 334 . . . 5822 1 434 . 1 1 36 36 VAL CA C 13 62.05 0.50 . 1 . . . . 334 . . . 5822 1 435 . 1 1 36 36 VAL CB C 13 32.57 0.50 . 1 . . . . 334 . . . 5822 1 436 . 1 1 36 36 VAL CG1 C 13 21.81 0.50 . 1 . . . . 334 . . . 5822 1 437 . 1 1 36 36 VAL CG2 C 13 21.81 0.50 . 1 . . . . 334 . . . 5822 1 438 . 1 1 36 36 VAL H H 1 8.63 0.02 . 1 . . . . 334 . . . 5822 1 439 . 1 1 36 36 VAL HA H 1 4.00 0.05 . 1 . . . . 334 . . . 5822 1 440 . 1 1 36 36 VAL HB H 1 2.13 0.05 . 1 . . . . 334 . . . 5822 1 441 . 1 1 36 36 VAL HG11 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 442 . 1 1 36 36 VAL HG12 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 443 . 1 1 36 36 VAL HG13 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 444 . 1 1 36 36 VAL HG21 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 445 . 1 1 36 36 VAL HG22 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 446 . 1 1 36 36 VAL HG23 H 1 0.77 0.05 . 1 . . . . 334 . . . 5822 1 447 . 1 1 36 36 VAL N N 15 127.42 0.03 . 1 . . . . 334 . . . 5822 1 448 . 1 1 37 37 ARG C C 13 177.45 0.50 . 1 . . . . 335 . . . 5822 1 449 . 1 1 37 37 ARG CA C 13 58.25 0.50 . 1 . . . . 335 . . . 5822 1 450 . 1 1 37 37 ARG CB C 13 30.17 0.50 . 1 . . . . 335 . . . 5822 1 451 . 1 1 37 37 ARG CD C 13 43.35 0.50 . 1 . . . . 335 . . . 5822 1 452 . 1 1 37 37 ARG CG C 13 27.24 0.50 . 1 . . . . 335 . . . 5822 1 453 . 1 1 37 37 ARG H H 1 8.36 0.02 . 1 . . . . 335 . . . 5822 1 454 . 1 1 37 37 ARG HA H 1 3.95 0.05 . 1 . . . . 335 . . . 5822 1 455 . 1 1 37 37 ARG HB2 H 1 1.70 0.05 . 1 . . . . 335 . . . 5822 1 456 . 1 1 37 37 ARG HB3 H 1 1.70 0.05 . 1 . . . . 335 . . . 5822 1 457 . 1 1 37 37 ARG HD2 H 1 3.04 0.05 . 1 . . . . 335 . . . 5822 1 458 . 1 1 37 37 ARG HD3 H 1 3.04 0.05 . 1 . . . . 335 . . . 5822 1 459 . 1 1 37 37 ARG HG2 H 1 1.55 0.05 . 1 . . . . 335 . . . 5822 1 460 . 1 1 37 37 ARG HG3 H 1 1.55 0.05 . 1 . . . . 335 . . . 5822 1 461 . 1 1 37 37 ARG N N 15 125.43 0.03 . 1 . . . . 335 . . . 5822 1 462 . 1 1 38 38 SER C C 13 174.78 0.50 . 1 . . . . 336 . . . 5822 1 463 . 1 1 38 38 SER CA C 13 59.50 0.50 . 1 . . . . 336 . . . 5822 1 464 . 1 1 38 38 SER CB C 13 62.30 0.50 . 1 . . . . 336 . . . 5822 1 465 . 1 1 38 38 SER H H 1 7.93 0.02 . 1 . . . . 336 . . . 5822 1 466 . 1 1 38 38 SER HA H 1 4.01 0.05 . 1 . . . . 336 . . . 5822 1 467 . 1 1 38 38 SER HB2 H 1 3.69 0.05 . 1 . . . . 336 . . . 5822 1 468 . 1 1 38 38 SER HB3 H 1 3.69 0.05 . 1 . . . . 336 . . . 5822 1 469 . 1 1 38 38 SER N N 15 113.82 0.03 . 1 . . . . 336 . . . 5822 1 470 . 1 1 39 39 ASN C C 13 174.66 0.50 . 1 . . . . 337 . . . 5822 1 471 . 1 1 39 39 ASN CA C 13 52.81 0.50 . 1 . . . . 337 . . . 5822 1 472 . 1 1 39 39 ASN CB C 13 38.90 0.50 . 1 . . . . 337 . . . 5822 1 473 . 1 1 39 39 ASN H H 1 7.49 0.02 . 1 . . . . 337 . . . 5822 1 474 . 1 1 39 39 ASN HA H 1 4.57 0.05 . 1 . . . . 337 . . . 5822 1 475 . 1 1 39 39 ASN HB2 H 1 2.63 0.05 . 2 . . . . 337 . . . 5822 1 476 . 1 1 39 39 ASN HB3 H 1 2.72 0.05 . 2 . . . . 337 . . . 5822 1 477 . 1 1 39 39 ASN HD21 H 1 6.52 0.05 . 2 . . . . 337 . . . 5822 1 478 . 1 1 39 39 ASN HD22 H 1 7.21 0.05 . 2 . . . . 337 . . . 5822 1 479 . 1 1 39 39 ASN N N 15 117.43 0.03 . 1 . . . . 337 . . . 5822 1 480 . 1 1 39 39 ASN ND2 N 15 110.66 0.03 . 1 . . . . 337 . . . 5822 1 481 . 1 1 40 40 ASN C C 13 174.18 0.50 . 1 . . . . 338 . . . 5822 1 482 . 1 1 40 40 ASN CA C 13 53.30 0.50 . 1 . . . . 338 . . . 5822 1 483 . 1 1 40 40 ASN CB C 13 38.27 0.50 . 1 . . . . 338 . . . 5822 1 484 . 1 1 40 40 ASN H H 1 8.09 0.02 . 1 . . . . 338 . . . 5822 1 485 . 1 1 40 40 ASN HA H 1 4.30 0.05 . 1 . . . . 338 . . . 5822 1 486 . 1 1 40 40 ASN HB2 H 1 2.82 0.05 . 2 . . . . 338 . . . 5822 1 487 . 1 1 40 40 ASN HB3 H 1 2.59 0.05 . 2 . . . . 338 . . . 5822 1 488 . 1 1 40 40 ASN HD21 H 1 7.37 0.05 . 2 . . . . 338 . . . 5822 1 489 . 1 1 40 40 ASN HD22 H 1 6.67 0.05 . 2 . . . . 338 . . . 5822 1 490 . 1 1 40 40 ASN N N 15 117.05 0.03 . 1 . . . . 338 . . . 5822 1 491 . 1 1 40 40 ASN ND2 N 15 112.47 0.03 . 1 . . . . 338 . . . 5822 1 492 . 1 1 41 41 ARG C C 13 175.15 0.50 . 1 . . . . 339 . . . 5822 1 493 . 1 1 41 41 ARG CA C 13 55.63 0.50 . 1 . . . . 339 . . . 5822 1 494 . 1 1 41 41 ARG CB C 13 31.86 0.50 . 1 . . . . 339 . . . 5822 1 495 . 1 1 41 41 ARG CD C 13 43.06 0.50 . 1 . . . . 339 . . . 5822 1 496 . 1 1 41 41 ARG CG C 13 27.49 0.50 . 1 . . . . 339 . . . 5822 1 497 . 1 1 41 41 ARG H H 1 7.63 0.02 . 1 . . . . 339 . . . 5822 1 498 . 1 1 41 41 ARG HA H 1 4.25 0.05 . 1 . . . . 339 . . . 5822 1 499 . 1 1 41 41 ARG HB2 H 1 1.53 0.05 . 2 . . . . 339 . . . 5822 1 500 . 1 1 41 41 ARG HB3 H 1 1.62 0.05 . 2 . . . . 339 . . . 5822 1 501 . 1 1 41 41 ARG HD2 H 1 3.01 0.05 . 1 . . . . 339 . . . 5822 1 502 . 1 1 41 41 ARG HD3 H 1 3.01 0.05 . 1 . . . . 339 . . . 5822 1 503 . 1 1 41 41 ARG HG2 H 1 1.40 0.05 . 1 . . . . 339 . . . 5822 1 504 . 1 1 41 41 ARG HG3 H 1 1.40 0.05 . 1 . . . . 339 . . . 5822 1 505 . 1 1 41 41 ARG N N 15 118.65 0.03 . 1 . . . . 339 . . . 5822 1 506 . 1 1 42 42 GLU C C 13 176.15 0.50 . 1 . . . . 340 . . . 5822 1 507 . 1 1 42 42 GLU CA C 13 55.58 0.50 . 1 . . . . 340 . . . 5822 1 508 . 1 1 42 42 GLU CB C 13 31.60 0.50 . 1 . . . . 340 . . . 5822 1 509 . 1 1 42 42 GLU CG C 13 37.02 0.50 . 1 . . . . 340 . . . 5822 1 510 . 1 1 42 42 GLU H H 1 8.33 0.02 . 1 . . . . 340 . . . 5822 1 511 . 1 1 42 42 GLU HA H 1 4.86 0.05 . 1 . . . . 340 . . . 5822 1 512 . 1 1 42 42 GLU HB2 H 1 1.75 0.05 . 2 . . . . 340 . . . 5822 1 513 . 1 1 42 42 GLU HB3 H 1 1.67 0.05 . 2 . . . . 340 . . . 5822 1 514 . 1 1 42 42 GLU HG2 H 1 2.04 0.05 . 2 . . . . 340 . . . 5822 1 515 . 1 1 42 42 GLU HG3 H 1 1.92 0.05 . 2 . . . . 340 . . . 5822 1 516 . 1 1 42 42 GLU N N 15 122.67 0.03 . 1 . . . . 340 . . . 5822 1 517 . 1 1 43 43 VAL C C 13 173.62 0.50 . 1 . . . . 341 . . . 5822 1 518 . 1 1 43 43 VAL CA C 13 60.51 0.50 . 1 . . . . 341 . . . 5822 1 519 . 1 1 43 43 VAL CB C 13 35.91 0.50 . 1 . . . . 341 . . . 5822 1 520 . 1 1 43 43 VAL CG1 C 13 21.29 0.50 . 1 . . . . 341 . . . 5822 1 521 . 1 1 43 43 VAL CG2 C 13 21.29 0.50 . 1 . . . . 341 . . . 5822 1 522 . 1 1 43 43 VAL H H 1 8.89 0.02 . 1 . . . . 341 . . . 5822 1 523 . 1 1 43 43 VAL HA H 1 4.38 0.05 . 1 . . . . 341 . . . 5822 1 524 . 1 1 43 43 VAL HB H 1 1.92 0.05 . 1 . . . . 341 . . . 5822 1 525 . 1 1 43 43 VAL HG11 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 526 . 1 1 43 43 VAL HG12 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 527 . 1 1 43 43 VAL HG13 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 528 . 1 1 43 43 VAL HG21 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 529 . 1 1 43 43 VAL HG22 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 530 . 1 1 43 43 VAL HG23 H 1 1.00 0.05 . 1 . . . . 341 . . . 5822 1 531 . 1 1 43 43 VAL N N 15 123.55 0.03 . 1 . . . . 341 . . . 5822 1 532 . 1 1 44 44 ALA C C 13 175.81 0.50 . 1 . . . . 342 . . . 5822 1 533 . 1 1 44 44 ALA CA C 13 51.77 0.50 . 1 . . . . 342 . . . 5822 1 534 . 1 1 44 44 ALA CB C 13 20.14 0.50 . 1 . . . . 342 . . . 5822 1 535 . 1 1 44 44 ALA H H 1 8.35 0.02 . 1 . . . . 342 . . . 5822 1 536 . 1 1 44 44 ALA HA H 1 4.73 0.05 . 1 . . . . 342 . . . 5822 1 537 . 1 1 44 44 ALA HB1 H 1 1.18 0.05 . 1 . . . . 342 . . . 5822 1 538 . 1 1 44 44 ALA HB2 H 1 1.18 0.05 . 1 . . . . 342 . . . 5822 1 539 . 1 1 44 44 ALA HB3 H 1 1.18 0.05 . 1 . . . . 342 . . . 5822 1 540 . 1 1 44 44 ALA N N 15 128.07 0.03 . 1 . . . . 342 . . . 5822 1 541 . 1 1 45 45 LYS C C 13 174.71 0.50 . 1 . . . . 343 . . . 5822 1 542 . 1 1 45 45 LYS CA C 13 54.51 0.50 . 1 . . . . 343 . . . 5822 1 543 . 1 1 45 45 LYS CB C 13 36.38 0.50 . 1 . . . . 343 . . . 5822 1 544 . 1 1 45 45 LYS CD C 13 30.13 0.50 . 1 . . . . 343 . . . 5822 1 545 . 1 1 45 45 LYS CE C 13 42.22 0.50 . 1 . . . . 343 . . . 5822 1 546 . 1 1 45 45 LYS CG C 13 23.87 0.50 . 1 . . . . 343 . . . 5822 1 547 . 1 1 45 45 LYS H H 1 8.28 0.02 . 1 . . . . 343 . . . 5822 1 548 . 1 1 45 45 LYS HA H 1 4.55 0.05 . 1 . . . . 343 . . . 5822 1 549 . 1 1 45 45 LYS HB2 H 1 0.93 0.05 . 1 . . . . 343 . . . 5822 1 550 . 1 1 45 45 LYS HB3 H 1 0.93 0.05 . 1 . . . . 343 . . . 5822 1 551 . 1 1 45 45 LYS HD2 H 1 0.98 0.05 . 1 . . . . 343 . . . 5822 1 552 . 1 1 45 45 LYS HD3 H 1 0.98 0.05 . 1 . . . . 343 . . . 5822 1 553 . 1 1 45 45 LYS HE2 H 1 2.33 0.05 . 1 . . . . 343 . . . 5822 1 554 . 1 1 45 45 LYS HE3 H 1 2.33 0.05 . 1 . . . . 343 . . . 5822 1 555 . 1 1 45 45 LYS HG2 H 1 0.35 0.05 . 2 . . . . 343 . . . 5822 1 556 . 1 1 45 45 LYS HG3 H 1 -0.03 0.05 . 2 . . . . 343 . . . 5822 1 557 . 1 1 45 45 LYS N N 15 120.68 0.03 . 1 . . . . 343 . . . 5822 1 558 . 1 1 46 46 ARG C C 13 173.77 0.50 . 1 . . . . 344 . . . 5822 1 559 . 1 1 46 46 ARG CA C 13 55.47 0.50 . 1 . . . . 344 . . . 5822 1 560 . 1 1 46 46 ARG CB C 13 36.67 0.50 . 1 . . . . 344 . . . 5822 1 561 . 1 1 46 46 ARG CG C 13 28.87 0.50 . 1 . . . . 344 . . . 5822 1 562 . 1 1 46 46 ARG H H 1 8.21 0.02 . 1 . . . . 344 . . . 5822 1 563 . 1 1 46 46 ARG HA H 1 4.26 0.05 . 1 . . . . 344 . . . 5822 1 564 . 1 1 46 46 ARG HB2 H 1 1.41 0.05 . 2 . . . . 344 . . . 5822 1 565 . 1 1 46 46 ARG HB3 H 1 1.11 0.05 . 2 . . . . 344 . . . 5822 1 566 . 1 1 46 46 ARG HD2 H 1 3.51 0.05 . 2 . . . . 344 . . . 5822 1 567 . 1 1 46 46 ARG HG2 H 1 0.95 0.05 . 2 . . . . 344 . . . 5822 1 568 . 1 1 46 46 ARG HG3 H 1 0.12 0.05 . 2 . . . . 344 . . . 5822 1 569 . 1 1 46 46 ARG N N 15 123.42 0.03 . 1 . . . . 344 . . . 5822 1 570 . 1 1 47 47 ASN C C 13 173.70 0.50 . 1 . . . . 345 . . . 5822 1 571 . 1 1 47 47 ASN CA C 13 52.06 0.50 . 1 . . . . 345 . . . 5822 1 572 . 1 1 47 47 ASN CB C 13 38.52 0.50 . 1 . . . . 345 . . . 5822 1 573 . 1 1 47 47 ASN H H 1 8.31 0.02 . 1 . . . . 345 . . . 5822 1 574 . 1 1 47 47 ASN HA H 1 5.03 0.05 . 1 . . . . 345 . . . 5822 1 575 . 1 1 47 47 ASN HB2 H 1 1.70 0.05 . 2 . . . . 345 . . . 5822 1 576 . 1 1 47 47 ASN HB3 H 1 2.26 0.05 . 2 . . . . 345 . . . 5822 1 577 . 1 1 47 47 ASN HD21 H 1 6.50 0.05 . 2 . . . . 345 . . . 5822 1 578 . 1 1 47 47 ASN HD22 H 1 7.24 0.05 . 2 . . . . 345 . . . 5822 1 579 . 1 1 47 47 ASN N N 15 126.87 0.03 . 1 . . . . 345 . . . 5822 1 580 . 1 1 47 47 ASN ND2 N 15 112.36 0.03 . 1 . . . . 345 . . . 5822 1 581 . 1 1 48 48 ILE C C 13 180.85 0.50 . 1 . . . . 346 . . . 5822 1 582 . 1 1 48 48 ILE CA C 13 59.14 0.50 . 1 . . . . 346 . . . 5822 1 583 . 1 1 48 48 ILE CB C 13 40.44 0.50 . 1 . . . . 346 . . . 5822 1 584 . 1 1 48 48 ILE CD1 C 13 14.16 0.50 . 1 . . . . 346 . . . 5822 1 585 . 1 1 48 48 ILE CG1 C 13 31.52 0.50 . 1 . . . . 346 . . . 5822 1 586 . 1 1 48 48 ILE CG2 C 13 17.27 0.50 . 1 . . . . 346 . . . 5822 1 587 . 1 1 48 48 ILE H H 1 8.71 0.02 . 1 . . . . 346 . . . 5822 1 588 . 1 1 48 48 ILE HA H 1 4.38 0.05 . 1 . . . . 346 . . . 5822 1 589 . 1 1 48 48 ILE HB H 1 1.72 0.05 . 1 . . . . 346 . . . 5822 1 590 . 1 1 48 48 ILE HD11 H 1 0.08 0.05 . 1 . . . . 346 . . . 5822 1 591 . 1 1 48 48 ILE HD12 H 1 0.08 0.05 . 1 . . . . 346 . . . 5822 1 592 . 1 1 48 48 ILE HD13 H 1 0.08 0.05 . 1 . . . . 346 . . . 5822 1 593 . 1 1 48 48 ILE HG12 H 1 0.71 0.05 . 2 . . . . 346 . . . 5822 1 594 . 1 1 48 48 ILE HG13 H 1 0.90 0.05 . 2 . . . . 346 . . . 5822 1 595 . 1 1 48 48 ILE HG21 H 1 0.06 0.05 . 1 . . . . 346 . . . 5822 1 596 . 1 1 48 48 ILE HG22 H 1 0.06 0.05 . 1 . . . . 346 . . . 5822 1 597 . 1 1 48 48 ILE HG23 H 1 0.06 0.05 . 1 . . . . 346 . . . 5822 1 598 . 1 1 48 48 ILE N N 15 116.63 0.03 . 1 . . . . 346 . . . 5822 1 599 . 1 1 49 49 TYR C C 13 174.95 0.50 . 1 . . . . 347 . . . 5822 1 600 . 1 1 49 49 TYR CA C 13 57.30 0.50 . 1 . . . . 347 . . . 5822 1 601 . 1 1 49 49 TYR CB C 13 38.68 0.50 . 1 . . . . 347 . . . 5822 1 602 . 1 1 49 49 TYR CD1 C 13 132.69 0.50 . 1 . . . . 347 . . . 5822 1 603 . 1 1 49 49 TYR CD2 C 13 132.69 0.50 . 1 . . . . 347 . . . 5822 1 604 . 1 1 49 49 TYR CE1 C 13 119.02 0.50 . 1 . . . . 347 . . . 5822 1 605 . 1 1 49 49 TYR CE2 C 13 119.02 0.50 . 1 . . . . 347 . . . 5822 1 606 . 1 1 49 49 TYR H H 1 7.88 0.02 . 1 . . . . 347 . . . 5822 1 607 . 1 1 49 49 TYR HA H 1 5.03 0.05 . 1 . . . . 347 . . . 5822 1 608 . 1 1 49 49 TYR HB2 H 1 2.67 0.05 . 2 . . . . 347 . . . 5822 1 609 . 1 1 49 49 TYR HB3 H 1 2.50 0.05 . 2 . . . . 347 . . . 5822 1 610 . 1 1 49 49 TYR HD1 H 1 6.70 0.05 . 1 . . . . 347 . . . 5822 1 611 . 1 1 49 49 TYR HD2 H 1 6.70 0.05 . 1 . . . . 347 . . . 5822 1 612 . 1 1 49 49 TYR HE1 H 1 6.53 0.05 . 1 . . . . 347 . . . 5822 1 613 . 1 1 49 49 TYR HE2 H 1 6.53 0.05 . 1 . . . . 347 . . . 5822 1 614 . 1 1 49 49 TYR N N 15 119.84 0.03 . 1 . . . . 347 . . . 5822 1 615 . 1 1 50 50 LEU C C 13 174.52 0.50 . 1 . . . . 348 . . . 5822 1 616 . 1 1 50 50 LEU CA C 13 52.77 0.50 . 1 . . . . 348 . . . 5822 1 617 . 1 1 50 50 LEU CB C 13 45.68 0.50 . 1 . . . . 348 . . . 5822 1 618 . 1 1 50 50 LEU CD1 C 13 25.76 0.50 . 2 . . . . 348 . . . 5822 1 619 . 1 1 50 50 LEU CD2 C 13 23.93 0.50 . 2 . . . . 348 . . . 5822 1 620 . 1 1 50 50 LEU CG C 13 26.95 0.50 . 1 . . . . 348 . . . 5822 1 621 . 1 1 50 50 LEU H H 1 8.68 0.02 . 1 . . . . 348 . . . 5822 1 622 . 1 1 50 50 LEU HA H 1 5.28 0.05 . 1 . . . . 348 . . . 5822 1 623 . 1 1 50 50 LEU HB2 H 1 1.42 0.05 . 2 . . . . 348 . . . 5822 1 624 . 1 1 50 50 LEU HB3 H 1 0.74 0.05 . 2 . . . . 348 . . . 5822 1 625 . 1 1 50 50 LEU HD11 H 1 0.37 0.05 . 2 . . . . 348 . . . 5822 1 626 . 1 1 50 50 LEU HD12 H 1 0.37 0.05 . 2 . . . . 348 . . . 5822 1 627 . 1 1 50 50 LEU HD13 H 1 0.37 0.05 . 2 . . . . 348 . . . 5822 1 628 . 1 1 50 50 LEU HD21 H 1 0.44 0.05 . 2 . . . . 348 . . . 5822 1 629 . 1 1 50 50 LEU HD22 H 1 0.44 0.05 . 2 . . . . 348 . . . 5822 1 630 . 1 1 50 50 LEU HD23 H 1 0.44 0.05 . 2 . . . . 348 . . . 5822 1 631 . 1 1 50 50 LEU HG H 1 1.23 0.05 . 1 . . . . 348 . . . 5822 1 632 . 1 1 50 50 LEU N N 15 123.71 0.03 . 1 . . . . 348 . . . 5822 1 633 . 1 1 51 51 MET C C 13 174.66 0.50 . 1 . . . . 349 . . . 5822 1 634 . 1 1 51 51 MET CA C 13 54.06 0.50 . 1 . . . . 349 . . . 5822 1 635 . 1 1 51 51 MET CB C 13 39.32 0.50 . 1 . . . . 349 . . . 5822 1 636 . 1 1 51 51 MET CE C 13 16.82 0.50 . 1 . . . . 349 . . . 5822 1 637 . 1 1 51 51 MET CG C 13 30.74 0.50 . 1 . . . . 349 . . . 5822 1 638 . 1 1 51 51 MET H H 1 8.58 0.02 . 1 . . . . 349 . . . 5822 1 639 . 1 1 51 51 MET HA H 1 5.46 0.05 . 1 . . . . 349 . . . 5822 1 640 . 1 1 51 51 MET HB2 H 1 1.81 0.05 . 1 . . . . 349 . . . 5822 1 641 . 1 1 51 51 MET HB3 H 1 1.81 0.05 . 1 . . . . 349 . . . 5822 1 642 . 1 1 51 51 MET HE1 H 1 1.75 0.05 . 1 . . . . 349 . . . 5822 1 643 . 1 1 51 51 MET HE2 H 1 1.75 0.05 . 1 . . . . 349 . . . 5822 1 644 . 1 1 51 51 MET HE3 H 1 1.75 0.05 . 1 . . . . 349 . . . 5822 1 645 . 1 1 51 51 MET HG2 H 1 2.35 0.05 . 2 . . . . 349 . . . 5822 1 646 . 1 1 51 51 MET HG3 H 1 2.89 0.05 . 2 . . . . 349 . . . 5822 1 647 . 1 1 51 51 MET N N 15 120.29 0.03 . 1 . . . . 349 . . . 5822 1 648 . 1 1 52 52 ASP C C 13 175.61 0.50 . 1 . . . . 350 . . . 5822 1 649 . 1 1 52 52 ASP CA C 13 52.08 0.50 . 1 . . . . 350 . . . 5822 1 650 . 1 1 52 52 ASP CB C 13 41.51 0.50 . 1 . . . . 350 . . . 5822 1 651 . 1 1 52 52 ASP H H 1 7.15 0.02 . 1 . . . . 350 . . . 5822 1 652 . 1 1 52 52 ASP HA H 1 4.79 0.05 . 1 . . . . 350 . . . 5822 1 653 . 1 1 52 52 ASP HB2 H 1 3.23 0.05 . 2 . . . . 350 . . . 5822 1 654 . 1 1 52 52 ASP HB3 H 1 2.76 0.05 . 2 . . . . 350 . . . 5822 1 655 . 1 1 52 52 ASP N N 15 125.60 0.03 . 1 . . . . 350 . . . 5822 1 656 . 1 1 53 53 THR C C 13 174.74 0.50 . 1 . . . . 351 . . . 5822 1 657 . 1 1 53 53 THR CA C 13 63.00 0.50 . 1 . . . . 351 . . . 5822 1 658 . 1 1 53 53 THR CB C 13 67.80 0.50 . 1 . . . . 351 . . . 5822 1 659 . 1 1 53 53 THR CG2 C 13 21.20 0.50 . 1 . . . . 351 . . . 5822 1 660 . 1 1 53 53 THR H H 1 6.84 0.02 . 1 . . . . 351 . . . 5822 1 661 . 1 1 53 53 THR HA H 1 1.65 0.05 . 1 . . . . 351 . . . 5822 1 662 . 1 1 53 53 THR HB H 1 3.28 0.05 . 1 . . . . 351 . . . 5822 1 663 . 1 1 53 53 THR HG21 H 1 0.55 0.05 . 1 . . . . 351 . . . 5822 1 664 . 1 1 53 53 THR HG22 H 1 0.55 0.05 . 1 . . . . 351 . . . 5822 1 665 . 1 1 53 53 THR HG23 H 1 0.55 0.05 . 1 . . . . 351 . . . 5822 1 666 . 1 1 53 53 THR N N 15 103.86 0.03 . 1 . . . . 351 . . . 5822 1 667 . 1 1 54 54 SER C C 13 176.43 0.50 . 1 . . . . 352 . . . 5822 1 668 . 1 1 54 54 SER CA C 13 59.62 0.50 . 1 . . . . 352 . . . 5822 1 669 . 1 1 54 54 SER CB C 13 63.71 0.50 . 1 . . . . 352 . . . 5822 1 670 . 1 1 54 54 SER H H 1 7.76 0.02 . 1 . . . . 352 . . . 5822 1 671 . 1 1 54 54 SER HA H 1 4.02 0.05 . 1 . . . . 352 . . . 5822 1 672 . 1 1 54 54 SER HB2 H 1 3.71 0.05 . 1 . . . . 352 . . . 5822 1 673 . 1 1 54 54 SER HB3 H 1 3.71 0.05 . 1 . . . . 352 . . . 5822 1 674 . 1 1 54 54 SER N N 15 117.73 0.03 . 1 . . . . 352 . . . 5822 1 675 . 1 1 55 55 GLY C C 13 181.27 0.50 . 1 . . . . 353 . . . 5822 1 676 . 1 1 55 55 GLY CA C 13 43.77 0.50 . 1 . . . . 353 . . . 5822 1 677 . 1 1 55 55 GLY H H 1 8.31 0.02 . 1 . . . . 353 . . . 5822 1 678 . 1 1 55 55 GLY HA2 H 1 3.71 0.05 . 1 . . . . 353 . . . 5822 1 679 . 1 1 55 55 GLY HA3 H 1 3.71 0.05 . 1 . . . . 353 . . . 5822 1 680 . 1 1 55 55 GLY N N 15 110.62 0.03 . 1 . . . . 353 . . . 5822 1 681 . 1 1 56 56 LYS C C 13 173.78 0.50 . 1 . . . . 354 . . . 5822 1 682 . 1 1 56 56 LYS CA C 13 54.96 0.50 . 1 . . . . 354 . . . 5822 1 683 . 1 1 56 56 LYS CB C 13 33.08 0.50 . 1 . . . . 354 . . . 5822 1 684 . 1 1 56 56 LYS CD C 13 28.49 0.50 . 1 . . . . 354 . . . 5822 1 685 . 1 1 56 56 LYS CE C 13 42.28 0.50 . 1 . . . . 354 . . . 5822 1 686 . 1 1 56 56 LYS CG C 13 25.46 0.50 . 1 . . . . 354 . . . 5822 1 687 . 1 1 56 56 LYS H H 1 7.73 0.02 . 1 . . . . 354 . . . 5822 1 688 . 1 1 56 56 LYS HA H 1 4.18 0.05 . 1 . . . . 354 . . . 5822 1 689 . 1 1 56 56 LYS HB2 H 1 1.49 0.05 . 1 . . . . 354 . . . 5822 1 690 . 1 1 56 56 LYS HB3 H 1 1.49 0.05 . 1 . . . . 354 . . . 5822 1 691 . 1 1 56 56 LYS HD2 H 1 1.46 0.05 . 1 . . . . 354 . . . 5822 1 692 . 1 1 56 56 LYS HD3 H 1 1.46 0.05 . 1 . . . . 354 . . . 5822 1 693 . 1 1 56 56 LYS HE2 H 1 2.87 0.05 . 1 . . . . 354 . . . 5822 1 694 . 1 1 56 56 LYS HE3 H 1 2.87 0.05 . 1 . . . . 354 . . . 5822 1 695 . 1 1 56 56 LYS HG2 H 1 1.15 0.05 . 1 . . . . 354 . . . 5822 1 696 . 1 1 56 56 LYS HG3 H 1 1.15 0.05 . 1 . . . . 354 . . . 5822 1 697 . 1 1 56 56 LYS N N 15 121.76 0.03 . 1 . . . . 354 . . . 5822 1 698 . 1 1 57 57 VAL C C 13 176.17 0.50 . 1 . . . . 355 . . . 5822 1 699 . 1 1 57 57 VAL CA C 13 59.60 0.50 . 1 . . . . 355 . . . 5822 1 700 . 1 1 57 57 VAL CB C 13 34.94 0.50 . 1 . . . . 355 . . . 5822 1 701 . 1 1 57 57 VAL CG1 C 13 22.25 0.50 . 1 . . . . 355 . . . 5822 1 702 . 1 1 57 57 VAL CG2 C 13 22.25 0.50 . 1 . . . . 355 . . . 5822 1 703 . 1 1 57 57 VAL H H 1 7.62 0.02 . 1 . . . . 355 . . . 5822 1 704 . 1 1 57 57 VAL HA H 1 5.17 0.05 . 1 . . . . 355 . . . 5822 1 705 . 1 1 57 57 VAL HB H 1 1.72 0.05 . 1 . . . . 355 . . . 5822 1 706 . 1 1 57 57 VAL HG11 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 707 . 1 1 57 57 VAL HG12 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 708 . 1 1 57 57 VAL HG13 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 709 . 1 1 57 57 VAL HG21 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 710 . 1 1 57 57 VAL HG22 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 711 . 1 1 57 57 VAL HG23 H 1 0.81 0.05 . 1 . . . . 355 . . . 5822 1 712 . 1 1 57 57 VAL N N 15 118.18 0.03 . 1 . . . . 355 . . . 5822 1 713 . 1 1 58 58 VAL C C 13 181.02 0.50 . 1 . . . . 356 . . . 5822 1 714 . 1 1 58 58 VAL CA C 13 58.79 0.50 . 1 . . . . 356 . . . 5822 1 715 . 1 1 58 58 VAL CB C 13 34.91 0.50 . 1 . . . . 356 . . . 5822 1 716 . 1 1 58 58 VAL CG1 C 13 20.33 0.50 . 2 . . . . 356 . . . 5822 1 717 . 1 1 58 58 VAL CG2 C 13 21.98 0.50 . 2 . . . . 356 . . . 5822 1 718 . 1 1 58 58 VAL H H 1 9.07 0.02 . 1 . . . . 356 . . . 5822 1 719 . 1 1 58 58 VAL HA H 1 4.62 0.05 . 1 . . . . 356 . . . 5822 1 720 . 1 1 58 58 VAL HB H 1 1.69 0.05 . 1 . . . . 356 . . . 5822 1 721 . 1 1 58 58 VAL HG11 H 1 0.60 0.05 . 2 . . . . 356 . . . 5822 1 722 . 1 1 58 58 VAL HG12 H 1 0.60 0.05 . 2 . . . . 356 . . . 5822 1 723 . 1 1 58 58 VAL HG13 H 1 0.60 0.05 . 2 . . . . 356 . . . 5822 1 724 . 1 1 58 58 VAL HG21 H 1 0.79 0.05 . 2 . . . . 356 . . . 5822 1 725 . 1 1 58 58 VAL HG22 H 1 0.79 0.05 . 2 . . . . 356 . . . 5822 1 726 . 1 1 58 58 VAL HG23 H 1 0.79 0.05 . 2 . . . . 356 . . . 5822 1 727 . 1 1 58 58 VAL N N 15 125.74 0.03 . 1 . . . . 356 . . . 5822 1 728 . 1 1 59 59 THR C C 13 173.12 0.50 . 1 . . . . 357 . . . 5822 1 729 . 1 1 59 59 THR CA C 13 62.16 0.50 . 1 . . . . 357 . . . 5822 1 730 . 1 1 59 59 THR CB C 13 69.27 0.50 . 1 . . . . 357 . . . 5822 1 731 . 1 1 59 59 THR CG2 C 13 21.62 0.50 . 1 . . . . 357 . . . 5822 1 732 . 1 1 59 59 THR H H 1 8.31 0.02 . 1 . . . . 357 . . . 5822 1 733 . 1 1 59 59 THR HA H 1 4.39 0.05 . 1 . . . . 357 . . . 5822 1 734 . 1 1 59 59 THR HB H 1 3.86 0.05 . 1 . . . . 357 . . . 5822 1 735 . 1 1 59 59 THR HG21 H 1 0.71 0.05 . 1 . . . . 357 . . . 5822 1 736 . 1 1 59 59 THR HG22 H 1 0.71 0.05 . 1 . . . . 357 . . . 5822 1 737 . 1 1 59 59 THR HG23 H 1 0.71 0.05 . 1 . . . . 357 . . . 5822 1 738 . 1 1 59 59 THR N N 15 124.16 0.03 . 1 . . . . 357 . . . 5822 1 739 . 1 1 60 60 ALA C C 13 174.80 0.50 . 1 . . . . 358 . . . 5822 1 740 . 1 1 60 60 ALA CA C 13 49.03 0.50 . 1 . . . . 358 . . . 5822 1 741 . 1 1 60 60 ALA CB C 13 20.42 0.50 . 1 . . . . 358 . . . 5822 1 742 . 1 1 60 60 ALA H H 1 8.89 0.02 . 1 . . . . 358 . . . 5822 1 743 . 1 1 60 60 ALA HA H 1 5.15 0.05 . 1 . . . . 358 . . . 5822 1 744 . 1 1 60 60 ALA HB1 H 1 0.70 0.05 . 1 . . . . 358 . . . 5822 1 745 . 1 1 60 60 ALA HB2 H 1 0.70 0.05 . 1 . . . . 358 . . . 5822 1 746 . 1 1 60 60 ALA HB3 H 1 0.70 0.05 . 1 . . . . 358 . . . 5822 1 747 . 1 1 60 60 ALA N N 15 129.85 0.03 . 1 . . . . 358 . . . 5822 1 748 . 1 1 61 61 THR C C 13 180.77 0.50 . 1 . . . . 359 . . . 5822 1 749 . 1 1 61 61 THR CA C 13 62.14 0.50 . 1 . . . . 359 . . . 5822 1 750 . 1 1 61 61 THR CB C 13 70.40 0.50 . 1 . . . . 359 . . . 5822 1 751 . 1 1 61 61 THR CG2 C 13 23.22 0.50 . 1 . . . . 359 . . . 5822 1 752 . 1 1 61 61 THR H H 1 8.32 0.02 . 1 . . . . 359 . . . 5822 1 753 . 1 1 61 61 THR HA H 1 4.44 0.05 . 1 . . . . 359 . . . 5822 1 754 . 1 1 61 61 THR HB H 1 3.55 0.05 . 1 . . . . 359 . . . 5822 1 755 . 1 1 61 61 THR HG21 H 1 0.18 0.05 . 1 . . . . 359 . . . 5822 1 756 . 1 1 61 61 THR HG22 H 1 0.18 0.05 . 1 . . . . 359 . . . 5822 1 757 . 1 1 61 61 THR HG23 H 1 0.18 0.05 . 1 . . . . 359 . . . 5822 1 758 . 1 1 61 61 THR N N 15 119.26 0.03 . 1 . . . . 359 . . . 5822 1 759 . 1 1 62 62 LEU C C 13 175.28 0.50 . 1 . . . . 360 . . . 5822 1 760 . 1 1 62 62 LEU CA C 13 53.34 0.50 . 1 . . . . 360 . . . 5822 1 761 . 1 1 62 62 LEU CB C 13 44.10 0.50 . 1 . . . . 360 . . . 5822 1 762 . 1 1 62 62 LEU CD1 C 13 26.00 0.50 . 2 . . . . 360 . . . 5822 1 763 . 1 1 62 62 LEU CD2 C 13 23.66 0.50 . 2 . . . . 360 . . . 5822 1 764 . 1 1 62 62 LEU CG C 13 27.95 0.50 . 1 . . . . 360 . . . 5822 1 765 . 1 1 62 62 LEU H H 1 8.38 0.02 . 1 . . . . 360 . . . 5822 1 766 . 1 1 62 62 LEU HA H 1 4.53 0.05 . 1 . . . . 360 . . . 5822 1 767 . 1 1 62 62 LEU HB2 H 1 0.93 0.05 . 2 . . . . 360 . . . 5822 1 768 . 1 1 62 62 LEU HB3 H 1 1.14 0.05 . 2 . . . . 360 . . . 5822 1 769 . 1 1 62 62 LEU HD11 H 1 0.12 0.05 . 2 . . . . 360 . . . 5822 1 770 . 1 1 62 62 LEU HD12 H 1 0.12 0.05 . 2 . . . . 360 . . . 5822 1 771 . 1 1 62 62 LEU HD13 H 1 0.12 0.05 . 2 . . . . 360 . . . 5822 1 772 . 1 1 62 62 LEU HD21 H 1 0.32 0.05 . 2 . . . . 360 . . . 5822 1 773 . 1 1 62 62 LEU HD22 H 1 0.32 0.05 . 2 . . . . 360 . . . 5822 1 774 . 1 1 62 62 LEU HD23 H 1 0.32 0.05 . 2 . . . . 360 . . . 5822 1 775 . 1 1 62 62 LEU HG H 1 1.23 0.05 . 1 . . . . 360 . . . 5822 1 776 . 1 1 62 62 LEU N N 15 126.25 0.03 . 1 . . . . 360 . . . 5822 1 777 . 1 1 63 63 TRP C C 13 178.49 0.50 . 1 . . . . 361 . . . 5822 1 778 . 1 1 63 63 TRP CA C 13 55.59 0.50 . 1 . . . . 361 . . . 5822 1 779 . 1 1 63 63 TRP CB C 13 33.93 0.50 . 1 . . . . 361 . . . 5822 1 780 . 1 1 63 63 TRP CD1 C 13 128.02 0.50 . 1 . . . . 361 . . . 5822 1 781 . 1 1 63 63 TRP CE3 C 13 120.31 0.50 . 1 . . . . 361 . . . 5822 1 782 . 1 1 63 63 TRP CH2 C 13 125.30 0.50 . 1 . . . . 361 . . . 5822 1 783 . 1 1 63 63 TRP CZ2 C 13 115.88 0.50 . 1 . . . . 361 . . . 5822 1 784 . 1 1 63 63 TRP CZ3 C 13 121.67 0.50 . 1 . . . . 361 . . . 5822 1 785 . 1 1 63 63 TRP H H 1 9.08 0.02 . 1 . . . . 361 . . . 5822 1 786 . 1 1 63 63 TRP HA H 1 5.28 0.05 . 1 . . . . 361 . . . 5822 1 787 . 1 1 63 63 TRP HB2 H 1 3.12 0.05 . 2 . . . . 361 . . . 5822 1 788 . 1 1 63 63 TRP HB3 H 1 2.84 0.05 . 2 . . . . 361 . . . 5822 1 789 . 1 1 63 63 TRP HD1 H 1 7.28 0.05 . 1 . . . . 361 . . . 5822 1 790 . 1 1 63 63 TRP HE1 H 1 9.50 0.05 . 1 . . . . 361 . . . 5822 1 791 . 1 1 63 63 TRP HE3 H 1 7.52 0.05 . 1 . . . . 361 . . . 5822 1 792 . 1 1 63 63 TRP HH2 H 1 7.08 0.05 . 1 . . . . 361 . . . 5822 1 793 . 1 1 63 63 TRP HZ2 H 1 7.23 0.05 . 1 . . . . 361 . . . 5822 1 794 . 1 1 63 63 TRP HZ3 H 1 6.65 0.05 . 1 . . . . 361 . . . 5822 1 795 . 1 1 63 63 TRP N N 15 119.80 0.03 . 1 . . . . 361 . . . 5822 1 796 . 1 1 63 63 TRP NE1 N 15 128.80 0.03 . 1 . . . . 361 . . . 5822 1 797 . 1 1 64 64 GLY C C 13 175.63 0.50 . 1 . . . . 362 . . . 5822 1 798 . 1 1 64 64 GLY CA C 13 46.14 0.50 . 1 . . . . 362 . . . 5822 1 799 . 1 1 64 64 GLY H H 1 9.28 0.02 . 1 . . . . 362 . . . 5822 1 800 . 1 1 64 64 GLY HA2 H 1 4.00 0.05 . 1 . . . . 362 . . . 5822 1 801 . 1 1 64 64 GLY HA3 H 1 4.00 0.05 . 1 . . . . 362 . . . 5822 1 802 . 1 1 64 64 GLY N N 15 109.66 0.03 . 1 . . . . 362 . . . 5822 1 803 . 1 1 65 65 GLU C C 13 178.26 0.50 . 1 . . . . 363 . . . 5822 1 804 . 1 1 65 65 GLU CA C 13 59.70 0.50 . 1 . . . . 363 . . . 5822 1 805 . 1 1 65 65 GLU CB C 13 29.51 0.50 . 1 . . . . 363 . . . 5822 1 806 . 1 1 65 65 GLU CG C 13 36.36 0.50 . 1 . . . . 363 . . . 5822 1 807 . 1 1 65 65 GLU H H 1 8.90 0.02 . 1 . . . . 363 . . . 5822 1 808 . 1 1 65 65 GLU HA H 1 3.97 0.05 . 1 . . . . 363 . . . 5822 1 809 . 1 1 65 65 GLU HB2 H 1 1.92 0.05 . 1 . . . . 363 . . . 5822 1 810 . 1 1 65 65 GLU HB3 H 1 1.92 0.05 . 1 . . . . 363 . . . 5822 1 811 . 1 1 65 65 GLU HG2 H 1 2.21 0.05 . 1 . . . . 363 . . . 5822 1 812 . 1 1 65 65 GLU HG3 H 1 2.21 0.05 . 1 . . . . 363 . . . 5822 1 813 . 1 1 65 65 GLU N N 15 126.28 0.03 . 1 . . . . 363 . . . 5822 1 814 . 1 1 66 66 ASP C C 13 178.28 0.50 . 1 . . . . 364 . . . 5822 1 815 . 1 1 66 66 ASP CA C 13 57.13 0.50 . 1 . . . . 364 . . . 5822 1 816 . 1 1 66 66 ASP CB C 13 40.31 0.50 . 1 . . . . 364 . . . 5822 1 817 . 1 1 66 66 ASP H H 1 7.97 0.02 . 1 . . . . 364 . . . 5822 1 818 . 1 1 66 66 ASP HA H 1 4.22 0.05 . 1 . . . . 364 . . . 5822 1 819 . 1 1 66 66 ASP HB2 H 1 2.73 0.05 . 2 . . . . 364 . . . 5822 1 820 . 1 1 66 66 ASP HB3 H 1 2.31 0.05 . 2 . . . . 364 . . . 5822 1 821 . 1 1 66 66 ASP N N 15 116.23 0.03 . 1 . . . . 364 . . . 5822 1 822 . 1 1 67 67 ALA C C 13 179.69 0.50 . 1 . . . . 365 . . . 5822 1 823 . 1 1 67 67 ALA CA C 13 54.45 0.50 . 1 . . . . 365 . . . 5822 1 824 . 1 1 67 67 ALA CB C 13 18.00 0.50 . 1 . . . . 365 . . . 5822 1 825 . 1 1 67 67 ALA H H 1 6.73 0.02 . 1 . . . . 365 . . . 5822 1 826 . 1 1 67 67 ALA HA H 1 3.53 0.05 . 1 . . . . 365 . . . 5822 1 827 . 1 1 67 67 ALA HB1 H 1 0.94 0.05 . 1 . . . . 365 . . . 5822 1 828 . 1 1 67 67 ALA HB2 H 1 0.94 0.05 . 1 . . . . 365 . . . 5822 1 829 . 1 1 67 67 ALA HB3 H 1 0.94 0.05 . 1 . . . . 365 . . . 5822 1 830 . 1 1 67 67 ALA N N 15 119.12 0.03 . 1 . . . . 365 . . . 5822 1 831 . 1 1 68 68 ASP C C 13 177.87 0.50 . 1 . . . . 366 . . . 5822 1 832 . 1 1 68 68 ASP CA C 13 57.83 0.50 . 1 . . . . 366 . . . 5822 1 833 . 1 1 68 68 ASP CB C 13 41.88 0.50 . 1 . . . . 366 . . . 5822 1 834 . 1 1 68 68 ASP H H 1 7.79 0.02 . 1 . . . . 366 . . . 5822 1 835 . 1 1 68 68 ASP HA H 1 4.13 0.05 . 1 . . . . 366 . . . 5822 1 836 . 1 1 68 68 ASP HB2 H 1 2.45 0.05 . 1 . . . . 366 . . . 5822 1 837 . 1 1 68 68 ASP HB3 H 1 2.45 0.05 . 1 . . . . 366 . . . 5822 1 838 . 1 1 68 68 ASP N N 15 119.82 0.03 . 1 . . . . 366 . . . 5822 1 839 . 1 1 69 69 LYS C C 13 176.06 0.50 . 1 . . . . 367 . . . 5822 1 840 . 1 1 69 69 LYS CA C 13 56.32 0.50 . 1 . . . . 367 . . . 5822 1 841 . 1 1 69 69 LYS CB C 13 32.82 0.50 . 1 . . . . 367 . . . 5822 1 842 . 1 1 69 69 LYS CD C 13 29.13 0.50 . 1 . . . . 367 . . . 5822 1 843 . 1 1 69 69 LYS CE C 13 42.03 0.50 . 1 . . . . 367 . . . 5822 1 844 . 1 1 69 69 LYS CG C 13 25.48 0.50 . 1 . . . . 367 . . . 5822 1 845 . 1 1 69 69 LYS H H 1 7.75 0.02 . 1 . . . . 367 . . . 5822 1 846 . 1 1 69 69 LYS HA H 1 4.03 0.05 . 1 . . . . 367 . . . 5822 1 847 . 1 1 69 69 LYS HB2 H 1 1.72 0.05 . 1 . . . . 367 . . . 5822 1 848 . 1 1 69 69 LYS HB3 H 1 1.72 0.05 . 1 . . . . 367 . . . 5822 1 849 . 1 1 69 69 LYS HD2 H 1 1.48 0.05 . 1 . . . . 367 . . . 5822 1 850 . 1 1 69 69 LYS HD3 H 1 1.48 0.05 . 1 . . . . 367 . . . 5822 1 851 . 1 1 69 69 LYS HE2 H 1 2.79 0.05 . 1 . . . . 367 . . . 5822 1 852 . 1 1 69 69 LYS HE3 H 1 2.79 0.05 . 1 . . . . 367 . . . 5822 1 853 . 1 1 69 69 LYS HG2 H 1 1.37 0.05 . 1 . . . . 367 . . . 5822 1 854 . 1 1 69 69 LYS HG3 H 1 1.37 0.05 . 1 . . . . 367 . . . 5822 1 855 . 1 1 69 69 LYS N N 15 114.50 0.03 . 1 . . . . 367 . . . 5822 1 856 . 1 1 70 70 PHE C C 13 173.32 0.50 . 1 . . . . 368 . . . 5822 1 857 . 1 1 70 70 PHE CA C 13 60.32 0.50 . 1 . . . . 368 . . . 5822 1 858 . 1 1 70 70 PHE CB C 13 39.70 0.50 . 1 . . . . 368 . . . 5822 1 859 . 1 1 70 70 PHE CD1 C 13 130.95 0.50 . 1 . . . . 368 . . . 5822 1 860 . 1 1 70 70 PHE CD2 C 13 130.95 0.50 . 1 . . . . 368 . . . 5822 1 861 . 1 1 70 70 PHE CE1 C 13 130.39 0.50 . 1 . . . . 368 . . . 5822 1 862 . 1 1 70 70 PHE CE2 C 13 130.39 0.50 . 1 . . . . 368 . . . 5822 1 863 . 1 1 70 70 PHE CZ C 13 128.75 0.50 . 1 . . . . 368 . . . 5822 1 864 . 1 1 70 70 PHE H H 1 6.72 0.02 . 1 . . . . 368 . . . 5822 1 865 . 1 1 70 70 PHE HA H 1 3.78 0.05 . 1 . . . . 368 . . . 5822 1 866 . 1 1 70 70 PHE HB2 H 1 3.21 0.05 . 2 . . . . 368 . . . 5822 1 867 . 1 1 70 70 PHE HB3 H 1 2.20 0.05 . 2 . . . . 368 . . . 5822 1 868 . 1 1 70 70 PHE HD1 H 1 6.64 0.05 . 1 . . . . 368 . . . 5822 1 869 . 1 1 70 70 PHE HD2 H 1 6.64 0.05 . 1 . . . . 368 . . . 5822 1 870 . 1 1 70 70 PHE HE1 H 1 6.60 0.05 . 1 . . . . 368 . . . 5822 1 871 . 1 1 70 70 PHE HE2 H 1 6.60 0.05 . 1 . . . . 368 . . . 5822 1 872 . 1 1 70 70 PHE HZ H 1 6.96 0.05 . 1 . . . . 368 . . . 5822 1 873 . 1 1 70 70 PHE N N 15 120.77 0.03 . 1 . . . . 368 . . . 5822 1 874 . 1 1 71 71 ASP C C 13 175.07 0.50 . 1 . . . . 369 . . . 5822 1 875 . 1 1 71 71 ASP CA C 13 51.96 0.50 . 1 . . . . 369 . . . 5822 1 876 . 1 1 71 71 ASP CB C 13 41.47 0.50 . 1 . . . . 369 . . . 5822 1 877 . 1 1 71 71 ASP H H 1 7.23 0.02 . 1 . . . . 369 . . . 5822 1 878 . 1 1 71 71 ASP HA H 1 4.15 0.05 . 1 . . . . 369 . . . 5822 1 879 . 1 1 71 71 ASP HB2 H 1 2.41 0.05 . 2 . . . . 369 . . . 5822 1 880 . 1 1 71 71 ASP HB3 H 1 2.16 0.05 . 2 . . . . 369 . . . 5822 1 881 . 1 1 71 71 ASP N N 15 126.05 0.03 . 1 . . . . 369 . . . 5822 1 882 . 1 1 72 72 GLY C C 13 174.11 0.50 . 1 . . . . 370 . . . 5822 1 883 . 1 1 72 72 GLY CA C 13 45.34 0.50 . 1 . . . . 370 . . . 5822 1 884 . 1 1 72 72 GLY H H 1 6.50 0.02 . 1 . . . . 370 . . . 5822 1 885 . 1 1 72 72 GLY HA2 H 1 3.84 0.05 . 1 . . . . 370 . . . 5822 1 886 . 1 1 72 72 GLY HA3 H 1 3.84 0.05 . 1 . . . . 370 . . . 5822 1 887 . 1 1 72 72 GLY N N 15 111.79 0.03 . 1 . . . . 370 . . . 5822 1 888 . 1 1 73 73 SER C C 13 173.30 0.50 . 1 . . . . 371 . . . 5822 1 889 . 1 1 73 73 SER CA C 13 55.76 0.50 . 1 . . . . 371 . . . 5822 1 890 . 1 1 73 73 SER CB C 13 63.63 0.50 . 1 . . . . 371 . . . 5822 1 891 . 1 1 73 73 SER H H 1 8.09 0.02 . 1 . . . . 371 . . . 5822 1 892 . 1 1 73 73 SER HA H 1 4.47 0.05 . 1 . . . . 371 . . . 5822 1 893 . 1 1 73 73 SER HB2 H 1 3.69 0.05 . 1 . . . . 371 . . . 5822 1 894 . 1 1 73 73 SER HB3 H 1 3.69 0.05 . 1 . . . . 371 . . . 5822 1 895 . 1 1 73 73 SER N N 15 115.34 0.03 . 1 . . . . 371 . . . 5822 1 896 . 1 1 74 74 ARG C C 13 174.87 0.50 . 1 . . . . 372 . . . 5822 1 897 . 1 1 74 74 ARG CA C 13 56.11 0.50 . 1 . . . . 372 . . . 5822 1 898 . 1 1 74 74 ARG CB C 13 30.55 0.50 . 1 . . . . 372 . . . 5822 1 899 . 1 1 74 74 ARG H H 1 8.20 0.02 . 1 . . . . 372 . . . 5822 1 900 . 1 1 74 74 ARG HA H 1 4.05 0.05 . 1 . . . . 372 . . . 5822 1 901 . 1 1 74 74 ARG N N 15 121.21 0.03 . 1 . . . . 372 . . . 5822 1 902 . 1 1 75 75 GLN CA C 13 55.23 0.50 . 1 . . . . 373 . . . 5822 1 903 . 1 1 75 75 GLN CB C 13 27.07 0.50 . 1 . . . . 373 . . . 5822 1 904 . 1 1 75 75 GLN CG C 13 34.95 0.50 . 1 . . . . 373 . . . 5822 1 905 . 1 1 75 75 GLN H H 1 7.77 0.02 . 1 . . . . 373 . . . 5822 1 906 . 1 1 75 75 GLN HA H 1 4.06 0.05 . 1 . . . . 373 . . . 5822 1 907 . 1 1 75 75 GLN HB2 H 1 1.40 0.05 . 2 . . . . 373 . . . 5822 1 908 . 1 1 75 75 GLN HB3 H 1 1.44 0.05 . 2 . . . . 373 . . . 5822 1 909 . 1 1 75 75 GLN HG2 H 1 2.21 0.05 . 2 . . . . 373 . . . 5822 1 910 . 1 1 75 75 GLN HG3 H 1 2.38 0.05 . 2 . . . . 373 . . . 5822 1 911 . 1 1 75 75 GLN HE21 H 1 6.94 0.05 . 2 . . . . 373 . . . 5822 1 912 . 1 1 75 75 GLN HE22 H 1 7.73 0.05 . 2 . . . . 373 . . . 5822 1 913 . 1 1 75 75 GLN N N 15 121.82 0.03 . 1 . . . . 373 . . . 5822 1 914 . 1 1 75 75 GLN NE2 N 15 112.79 0.03 . 1 . . . . 373 . . . 5822 1 915 . 1 1 76 76 PRO C C 13 176.99 0.50 . 1 . . . . 374 . . . 5822 1 916 . 1 1 76 76 PRO CA C 13 62.61 0.50 . 1 . . . . 374 . . . 5822 1 917 . 1 1 76 76 PRO CB C 13 34.34 0.50 . 1 . . . . 374 . . . 5822 1 918 . 1 1 76 76 PRO CD C 13 50.09 0.50 . 1 . . . . 374 . . . 5822 1 919 . 1 1 76 76 PRO CG C 13 24.70 0.50 . 1 . . . . 374 . . . 5822 1 920 . 1 1 76 76 PRO HA H 1 4.58 0.05 . 1 . . . . 374 . . . 5822 1 921 . 1 1 76 76 PRO HB2 H 1 1.96 0.05 . 2 . . . . 374 . . . 5822 1 922 . 1 1 76 76 PRO HB3 H 1 2.22 0.05 . 2 . . . . 374 . . . 5822 1 923 . 1 1 76 76 PRO HD2 H 1 3.38 0.05 . 1 . . . . 374 . . . 5822 1 924 . 1 1 76 76 PRO HD3 H 1 3.38 0.05 . 1 . . . . 374 . . . 5822 1 925 . 1 1 76 76 PRO HG2 H 1 1.67 0.05 . 2 . . . . 374 . . . 5822 1 926 . 1 1 76 76 PRO HG3 H 1 1.76 0.05 . 2 . . . . 374 . . . 5822 1 927 . 1 1 77 77 VAL C C 13 174.77 0.50 . 1 . . . . 375 . . . 5822 1 928 . 1 1 77 77 VAL CA C 13 62.68 0.50 . 1 . . . . 375 . . . 5822 1 929 . 1 1 77 77 VAL CB C 13 33.45 0.50 . 1 . . . . 375 . . . 5822 1 930 . 1 1 77 77 VAL CG1 C 13 22.44 0.50 . 1 . . . . 375 . . . 5822 1 931 . 1 1 77 77 VAL CG2 C 13 22.44 0.50 . 1 . . . . 375 . . . 5822 1 932 . 1 1 77 77 VAL H H 1 7.61 0.02 . 1 . . . . 375 . . . 5822 1 933 . 1 1 77 77 VAL HA H 1 4.05 0.05 . 1 . . . . 375 . . . 5822 1 934 . 1 1 77 77 VAL HB H 1 1.90 0.05 . 1 . . . . 375 . . . 5822 1 935 . 1 1 77 77 VAL HG11 H 1 0.87 0.05 . 2 . . . . 375 . . . 5822 1 936 . 1 1 77 77 VAL HG12 H 1 0.87 0.05 . 2 . . . . 375 . . . 5822 1 937 . 1 1 77 77 VAL HG13 H 1 0.87 0.05 . 2 . . . . 375 . . . 5822 1 938 . 1 1 77 77 VAL HG21 H 1 0.57 0.05 . 2 . . . . 375 . . . 5822 1 939 . 1 1 77 77 VAL HG22 H 1 0.57 0.05 . 2 . . . . 375 . . . 5822 1 940 . 1 1 77 77 VAL HG23 H 1 0.57 0.05 . 2 . . . . 375 . . . 5822 1 941 . 1 1 77 77 VAL N N 15 119.54 0.03 . 1 . . . . 375 . . . 5822 1 942 . 1 1 78 78 LEU C C 13 174.17 0.50 . 1 . . . . 376 . . . 5822 1 943 . 1 1 78 78 LEU CA C 13 53.23 0.50 . 1 . . . . 376 . . . 5822 1 944 . 1 1 78 78 LEU CB C 13 44.73 0.50 . 1 . . . . 376 . . . 5822 1 945 . 1 1 78 78 LEU CD1 C 13 26.16 0.50 . 1 . . . . 376 . . . 5822 1 946 . 1 1 78 78 LEU CD2 C 13 26.16 0.50 . 1 . . . . 376 . . . 5822 1 947 . 1 1 78 78 LEU CG C 13 26.53 0.50 . 1 . . . . 376 . . . 5822 1 948 . 1 1 78 78 LEU H H 1 8.96 0.02 . 1 . . . . 376 . . . 5822 1 949 . 1 1 78 78 LEU HA H 1 4.95 0.05 . 1 . . . . 376 . . . 5822 1 950 . 1 1 78 78 LEU HB2 H 1 0.90 0.05 . 2 . . . . 376 . . . 5822 1 951 . 1 1 78 78 LEU HB3 H 1 1.32 0.05 . 2 . . . . 376 . . . 5822 1 952 . 1 1 78 78 LEU HD11 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 953 . 1 1 78 78 LEU HD12 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 954 . 1 1 78 78 LEU HD13 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 955 . 1 1 78 78 LEU HD21 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 956 . 1 1 78 78 LEU HD22 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 957 . 1 1 78 78 LEU HD23 H 1 0.68 0.05 . 1 . . . . 376 . . . 5822 1 958 . 1 1 78 78 LEU HG H 1 0.90 0.05 . 1 . . . . 376 . . . 5822 1 959 . 1 1 78 78 LEU N N 15 128.40 0.03 . 1 . . . . 376 . . . 5822 1 960 . 1 1 79 79 ALA C C 13 175.43 0.50 . 1 . . . . 377 . . . 5822 1 961 . 1 1 79 79 ALA CA C 13 49.56 0.50 . 1 . . . . 377 . . . 5822 1 962 . 1 1 79 79 ALA CB C 13 21.16 0.50 . 1 . . . . 377 . . . 5822 1 963 . 1 1 79 79 ALA H H 1 8.51 0.02 . 1 . . . . 377 . . . 5822 1 964 . 1 1 79 79 ALA HA H 1 5.04 0.05 . 1 . . . . 377 . . . 5822 1 965 . 1 1 79 79 ALA HB1 H 1 0.82 0.05 . 1 . . . . 377 . . . 5822 1 966 . 1 1 79 79 ALA HB2 H 1 0.82 0.05 . 1 . . . . 377 . . . 5822 1 967 . 1 1 79 79 ALA HB3 H 1 0.82 0.05 . 1 . . . . 377 . . . 5822 1 968 . 1 1 79 79 ALA N N 15 124.50 0.03 . 1 . . . . 377 . . . 5822 1 969 . 1 1 80 80 ILE C C 13 174.63 0.50 . 1 . . . . 378 . . . 5822 1 970 . 1 1 80 80 ILE CA C 13 59.92 0.50 . 1 . . . . 378 . . . 5822 1 971 . 1 1 80 80 ILE CB C 13 40.48 0.50 . 1 . . . . 378 . . . 5822 1 972 . 1 1 80 80 ILE CD1 C 13 12.57 0.50 . 1 . . . . 378 . . . 5822 1 973 . 1 1 80 80 ILE CG1 C 13 27.32 0.50 . 1 . . . . 378 . . . 5822 1 974 . 1 1 80 80 ILE CG2 C 13 18.48 0.50 . 1 . . . . 378 . . . 5822 1 975 . 1 1 80 80 ILE H H 1 9.39 0.02 . 1 . . . . 378 . . . 5822 1 976 . 1 1 80 80 ILE HA H 1 4.92 0.05 . 1 . . . . 378 . . . 5822 1 977 . 1 1 80 80 ILE HB H 1 1.50 0.05 . 1 . . . . 378 . . . 5822 1 978 . 1 1 80 80 ILE HD11 H 1 0.33 0.05 . 1 . . . . 378 . . . 5822 1 979 . 1 1 80 80 ILE HD12 H 1 0.33 0.05 . 1 . . . . 378 . . . 5822 1 980 . 1 1 80 80 ILE HD13 H 1 0.33 0.05 . 1 . . . . 378 . . . 5822 1 981 . 1 1 80 80 ILE HG12 H 1 1.24 0.05 . 1 . . . . 378 . . . 5822 1 982 . 1 1 80 80 ILE HG13 H 1 1.24 0.05 . 1 . . . . 378 . . . 5822 1 983 . 1 1 80 80 ILE HG21 H 1 0.63 0.05 . 1 . . . . 378 . . . 5822 1 984 . 1 1 80 80 ILE HG22 H 1 0.63 0.05 . 1 . . . . 378 . . . 5822 1 985 . 1 1 80 80 ILE HG23 H 1 0.63 0.05 . 1 . . . . 378 . . . 5822 1 986 . 1 1 80 80 ILE N N 15 122.24 0.03 . 1 . . . . 378 . . . 5822 1 987 . 1 1 81 81 LYS C C 13 177.37 0.50 . 1 . . . . 379 . . . 5822 1 988 . 1 1 81 81 LYS CA C 13 53.27 0.50 . 1 . . . . 379 . . . 5822 1 989 . 1 1 81 81 LYS CB C 13 34.57 0.50 . 1 . . . . 379 . . . 5822 1 990 . 1 1 81 81 LYS CD C 13 28.35 0.50 . 1 . . . . 379 . . . 5822 1 991 . 1 1 81 81 LYS CE C 13 41.98 0.50 . 1 . . . . 379 . . . 5822 1 992 . 1 1 81 81 LYS CG C 13 24.15 0.50 . 1 . . . . 379 . . . 5822 1 993 . 1 1 81 81 LYS H H 1 9.18 0.02 . 1 . . . . 379 . . . 5822 1 994 . 1 1 81 81 LYS HA H 1 4.82 0.05 . 1 . . . . 379 . . . 5822 1 995 . 1 1 81 81 LYS HB2 H 1 1.82 0.05 . 1 . . . . 379 . . . 5822 1 996 . 1 1 81 81 LYS HB3 H 1 1.82 0.05 . 1 . . . . 379 . . . 5822 1 997 . 1 1 81 81 LYS HD2 H 1 1.35 0.05 . 2 . . . . 379 . . . 5822 1 998 . 1 1 81 81 LYS HD3 H 1 1.40 0.05 . 2 . . . . 379 . . . 5822 1 999 . 1 1 81 81 LYS HE2 H 1 2.64 0.05 . 1 . . . . 379 . . . 5822 1 1000 . 1 1 81 81 LYS HE3 H 1 2.64 0.05 . 1 . . . . 379 . . . 5822 1 1001 . 1 1 81 81 LYS HG2 H 1 1.13 0.05 . 2 . . . . 379 . . . 5822 1 1002 . 1 1 81 81 LYS HG3 H 1 1.19 0.05 . 2 . . . . 379 . . . 5822 1 1003 . 1 1 81 81 LYS N N 15 128.11 0.03 . 1 . . . . 379 . . . 5822 1 1004 . 1 1 82 82 GLY C C 13 177.67 0.50 . 1 . . . . 380 . . . 5822 1 1005 . 1 1 82 82 GLY CA C 13 48.08 0.50 . 1 . . . . 380 . . . 5822 1 1006 . 1 1 82 82 GLY H H 1 8.94 0.02 . 1 . . . . 380 . . . 5822 1 1007 . 1 1 82 82 GLY HA2 H 1 3.60 0.05 . 2 . . . . 380 . . . 5822 1 1008 . 1 1 82 82 GLY HA3 H 1 3.70 0.05 . 2 . . . . 380 . . . 5822 1 1009 . 1 1 82 82 GLY N N 15 116.02 0.03 . 1 . . . . 380 . . . 5822 1 1010 . 1 1 83 83 ALA C C 13 174.81 0.50 . 1 . . . . 381 . . . 5822 1 1011 . 1 1 83 83 ALA CA C 13 51.34 0.50 . 1 . . . . 381 . . . 5822 1 1012 . 1 1 83 83 ALA CB C 13 19.75 0.50 . 1 . . . . 381 . . . 5822 1 1013 . 1 1 83 83 ALA H H 1 8.90 0.02 . 1 . . . . 381 . . . 5822 1 1014 . 1 1 83 83 ALA HA H 1 4.41 0.05 . 1 . . . . 381 . . . 5822 1 1015 . 1 1 83 83 ALA HB1 H 1 1.09 0.05 . 1 . . . . 381 . . . 5822 1 1016 . 1 1 83 83 ALA HB2 H 1 1.09 0.05 . 1 . . . . 381 . . . 5822 1 1017 . 1 1 83 83 ALA HB3 H 1 1.09 0.05 . 1 . . . . 381 . . . 5822 1 1018 . 1 1 83 83 ALA N N 15 125.23 0.03 . 1 . . . . 381 . . . 5822 1 1019 . 1 1 84 84 ARG C C 13 176.42 0.50 . 1 . . . . 382 . . . 5822 1 1020 . 1 1 84 84 ARG CA C 13 54.53 0.50 . 1 . . . . 382 . . . 5822 1 1021 . 1 1 84 84 ARG CB C 13 33.86 0.50 . 1 . . . . 382 . . . 5822 1 1022 . 1 1 84 84 ARG CD C 13 43.52 0.50 . 1 . . . . 382 . . . 5822 1 1023 . 1 1 84 84 ARG CG C 13 27.25 0.50 . 1 . . . . 382 . . . 5822 1 1024 . 1 1 84 84 ARG H H 1 8.51 0.02 . 1 . . . . 382 . . . 5822 1 1025 . 1 1 84 84 ARG HA H 1 5.05 0.05 . 1 . . . . 382 . . . 5822 1 1026 . 1 1 84 84 ARG HB2 H 1 1.65 0.05 . 2 . . . . 382 . . . 5822 1 1027 . 1 1 84 84 ARG HB3 H 1 1.50 0.05 . 2 . . . . 382 . . . 5822 1 1028 . 1 1 84 84 ARG HD2 H 1 3.01 0.05 . 1 . . . . 382 . . . 5822 1 1029 . 1 1 84 84 ARG HD3 H 1 3.01 0.05 . 1 . . . . 382 . . . 5822 1 1030 . 1 1 84 84 ARG HG2 H 1 1.35 0.05 . 1 . . . . 382 . . . 5822 1 1031 . 1 1 84 84 ARG HG3 H 1 1.35 0.05 . 1 . . . . 382 . . . 5822 1 1032 . 1 1 84 84 ARG N N 15 119.72 0.03 . 1 . . . . 382 . . . 5822 1 1033 . 1 1 85 85 VAL C C 13 176.15 0.50 . 1 . . . . 383 . . . 5822 1 1034 . 1 1 85 85 VAL CA C 13 64.33 0.50 . 1 . . . . 383 . . . 5822 1 1035 . 1 1 85 85 VAL CB C 13 31.63 0.50 . 1 . . . . 383 . . . 5822 1 1036 . 1 1 85 85 VAL CG1 C 13 22.24 0.50 . 2 . . . . 383 . . . 5822 1 1037 . 1 1 85 85 VAL CG2 C 13 23.17 0.50 . 2 . . . . 383 . . . 5822 1 1038 . 1 1 85 85 VAL H H 1 8.84 0.02 . 1 . . . . 383 . . . 5822 1 1039 . 1 1 85 85 VAL HA H 1 3.91 0.05 . 1 . . . . 383 . . . 5822 1 1040 . 1 1 85 85 VAL HB H 1 2.00 0.05 . 1 . . . . 383 . . . 5822 1 1041 . 1 1 85 85 VAL HG11 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1042 . 1 1 85 85 VAL HG12 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1043 . 1 1 85 85 VAL HG13 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1044 . 1 1 85 85 VAL HG21 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1045 . 1 1 85 85 VAL HG22 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1046 . 1 1 85 85 VAL HG23 H 1 0.72 0.05 . 1 . . . . 383 . . . 5822 1 1047 . 1 1 85 85 VAL N N 15 127.47 0.03 . 1 . . . . 383 . . . 5822 1 1048 . 1 1 86 86 SER C C 13 173.18 0.50 . 1 . . . . 384 . . . 5822 1 1049 . 1 1 86 86 SER CA C 13 58.37 0.50 . 1 . . . . 384 . . . 5822 1 1050 . 1 1 86 86 SER CB C 13 64.29 0.50 . 1 . . . . 384 . . . 5822 1 1051 . 1 1 86 86 SER H H 1 8.82 0.02 . 1 . . . . 384 . . . 5822 1 1052 . 1 1 86 86 SER HA H 1 4.46 0.05 . 1 . . . . 384 . . . 5822 1 1053 . 1 1 86 86 SER HB2 H 1 3.66 0.05 . 1 . . . . 384 . . . 5822 1 1054 . 1 1 86 86 SER HB3 H 1 3.66 0.05 . 1 . . . . 384 . . . 5822 1 1055 . 1 1 86 86 SER N N 15 125.79 0.03 . 1 . . . . 384 . . . 5822 1 1056 . 1 1 87 87 ASP C C 13 176.03 0.50 . 1 . . . . 385 . . . 5822 1 1057 . 1 1 87 87 ASP CA C 13 52.95 0.50 . 1 . . . . 385 . . . 5822 1 1058 . 1 1 87 87 ASP CB C 13 41.97 0.50 . 1 . . . . 385 . . . 5822 1 1059 . 1 1 87 87 ASP H H 1 8.01 0.02 . 1 . . . . 385 . . . 5822 1 1060 . 1 1 87 87 ASP HA H 1 4.71 0.05 . 1 . . . . 385 . . . 5822 1 1061 . 1 1 87 87 ASP HB2 H 1 2.68 0.05 . 2 . . . . 385 . . . 5822 1 1062 . 1 1 87 87 ASP HB3 H 1 2.38 0.05 . 2 . . . . 385 . . . 5822 1 1063 . 1 1 87 87 ASP N N 15 121.82 0.03 . 1 . . . . 385 . . . 5822 1 1064 . 1 1 88 88 PHE C C 13 176.85 0.50 . 1 . . . . 386 . . . 5822 1 1065 . 1 1 88 88 PHE CA C 13 58.95 0.50 . 1 . . . . 386 . . . 5822 1 1066 . 1 1 88 88 PHE CB C 13 38.48 0.50 . 1 . . . . 386 . . . 5822 1 1067 . 1 1 88 88 PHE CD1 C 13 131.29 0.50 . 1 . . . . 386 . . . 5822 1 1068 . 1 1 88 88 PHE CD2 C 13 131.29 0.50 . 1 . . . . 386 . . . 5822 1 1069 . 1 1 88 88 PHE CE1 C 13 131.19 0.50 . 1 . . . . 386 . . . 5822 1 1070 . 1 1 88 88 PHE CE2 C 13 131.19 0.50 . 1 . . . . 386 . . . 5822 1 1071 . 1 1 88 88 PHE CZ C 13 129.59 0.50 . 1 . . . . 386 . . . 5822 1 1072 . 1 1 88 88 PHE H H 1 8.35 0.02 . 1 . . . . 386 . . . 5822 1 1073 . 1 1 88 88 PHE HA H 1 4.33 0.05 . 1 . . . . 386 . . . 5822 1 1074 . 1 1 88 88 PHE HB2 H 1 2.90 0.05 . 1 . . . . 386 . . . 5822 1 1075 . 1 1 88 88 PHE HB3 H 1 2.90 0.05 . 1 . . . . 386 . . . 5822 1 1076 . 1 1 88 88 PHE HD1 H 1 7.17 0.05 . 1 . . . . 386 . . . 5822 1 1077 . 1 1 88 88 PHE HD2 H 1 7.17 0.05 . 1 . . . . 386 . . . 5822 1 1078 . 1 1 88 88 PHE HE1 H 1 7.24 0.05 . 1 . . . . 386 . . . 5822 1 1079 . 1 1 88 88 PHE HE2 H 1 7.24 0.05 . 1 . . . . 386 . . . 5822 1 1080 . 1 1 88 88 PHE HZ H 1 7.19 0.05 . 1 . . . . 386 . . . 5822 1 1081 . 1 1 88 88 PHE N N 15 122.73 0.03 . 1 . . . . 386 . . . 5822 1 1082 . 1 1 89 89 GLY C C 13 174.75 0.50 . 1 . . . . 387 . . . 5822 1 1083 . 1 1 89 89 GLY CA C 13 45.79 0.50 . 1 . . . . 387 . . . 5822 1 1084 . 1 1 89 89 GLY H H 1 8.48 0.02 . 1 . . . . 387 . . . 5822 1 1085 . 1 1 89 89 GLY HA2 H 1 3.70 0.05 . 2 . . . . 387 . . . 5822 1 1086 . 1 1 89 89 GLY HA3 H 1 3.54 0.05 . 2 . . . . 387 . . . 5822 1 1087 . 1 1 89 89 GLY N N 15 114.56 0.03 . 1 . . . . 387 . . . 5822 1 1088 . 1 1 90 90 GLY C C 13 176.04 0.50 . 1 . . . . 388 . . . 5822 1 1089 . 1 1 90 90 GLY CA C 13 46.04 0.50 . 1 . . . . 388 . . . 5822 1 1090 . 1 1 90 90 GLY H H 1 7.68 0.02 . 1 . . . . 388 . . . 5822 1 1091 . 1 1 90 90 GLY HA2 H 1 4.12 0.05 . 2 . . . . 388 . . . 5822 1 1092 . 1 1 90 90 GLY HA3 H 1 3.32 0.05 . 2 . . . . 388 . . . 5822 1 1093 . 1 1 90 90 GLY N N 15 109.36 0.03 . 1 . . . . 388 . . . 5822 1 1094 . 1 1 91 91 ARG C C 13 175.17 0.50 . 1 . . . . 389 . . . 5822 1 1095 . 1 1 91 91 ARG CA C 13 55.18 0.50 . 1 . . . . 389 . . . 5822 1 1096 . 1 1 91 91 ARG CB C 13 32.27 0.50 . 1 . . . . 389 . . . 5822 1 1097 . 1 1 91 91 ARG CD C 13 41.97 0.50 . 1 . . . . 389 . . . 5822 1 1098 . 1 1 91 91 ARG CG C 13 28.84 0.50 . 1 . . . . 389 . . . 5822 1 1099 . 1 1 91 91 ARG H H 1 7.64 0.02 . 1 . . . . 389 . . . 5822 1 1100 . 1 1 91 91 ARG HA H 1 4.60 0.05 . 1 . . . . 389 . . . 5822 1 1101 . 1 1 91 91 ARG HB2 H 1 1.76 0.05 . 1 . . . . 389 . . . 5822 1 1102 . 1 1 91 91 ARG HB3 H 1 1.76 0.05 . 1 . . . . 389 . . . 5822 1 1103 . 1 1 91 91 ARG HD2 H 1 2.79 0.05 . 1 . . . . 389 . . . 5822 1 1104 . 1 1 91 91 ARG HD3 H 1 2.79 0.05 . 1 . . . . 389 . . . 5822 1 1105 . 1 1 91 91 ARG HG2 H 1 1.48 0.05 . 1 . . . . 389 . . . 5822 1 1106 . 1 1 91 91 ARG HG3 H 1 1.48 0.05 . 1 . . . . 389 . . . 5822 1 1107 . 1 1 91 91 ARG N N 15 119.09 0.03 . 1 . . . . 389 . . . 5822 1 1108 . 1 1 92 92 SER C C 13 181.13 0.50 . 1 . . . . 390 . . . 5822 1 1109 . 1 1 92 92 SER CA C 13 56.74 0.50 . 1 . . . . 390 . . . 5822 1 1110 . 1 1 92 92 SER CB C 13 65.39 0.50 . 1 . . . . 390 . . . 5822 1 1111 . 1 1 92 92 SER H H 1 8.32 0.02 . 1 . . . . 390 . . . 5822 1 1112 . 1 1 92 92 SER HA H 1 4.73 0.05 . 1 . . . . 390 . . . 5822 1 1113 . 1 1 92 92 SER HB2 H 1 3.61 0.05 . 2 . . . . 390 . . . 5822 1 1114 . 1 1 92 92 SER HB3 H 1 3.73 0.05 . 2 . . . . 390 . . . 5822 1 1115 . 1 1 92 92 SER N N 15 116.25 0.03 . 1 . . . . 390 . . . 5822 1 1116 . 1 1 93 93 LEU C C 13 176.38 0.50 . 1 . . . . 391 . . . 5822 1 1117 . 1 1 93 93 LEU CA C 13 52.95 0.50 . 1 . . . . 391 . . . 5822 1 1118 . 1 1 93 93 LEU CB C 13 45.70 0.50 . 1 . . . . 391 . . . 5822 1 1119 . 1 1 93 93 LEU CD1 C 13 26.66 0.50 . 2 . . . . 391 . . . 5822 1 1120 . 1 1 93 93 LEU CD2 C 13 24.22 0.50 . 2 . . . . 391 . . . 5822 1 1121 . 1 1 93 93 LEU CG C 13 26.61 0.50 . 1 . . . . 391 . . . 5822 1 1122 . 1 1 93 93 LEU H H 1 8.66 0.02 . 1 . . . . 391 . . . 5822 1 1123 . 1 1 93 93 LEU HA H 1 5.27 0.05 . 1 . . . . 391 . . . 5822 1 1124 . 1 1 93 93 LEU HB2 H 1 0.95 0.05 . 2 . . . . 391 . . . 5822 1 1125 . 1 1 93 93 LEU HB3 H 1 1.40 0.05 . 2 . . . . 391 . . . 5822 1 1126 . 1 1 93 93 LEU HD11 H 1 0.49 0.05 . 2 . . . . 391 . . . 5822 1 1127 . 1 1 93 93 LEU HD12 H 1 0.49 0.05 . 2 . . . . 391 . . . 5822 1 1128 . 1 1 93 93 LEU HD13 H 1 0.49 0.05 . 2 . . . . 391 . . . 5822 1 1129 . 1 1 93 93 LEU HD21 H 1 0.58 0.05 . 2 . . . . 391 . . . 5822 1 1130 . 1 1 93 93 LEU HD22 H 1 0.58 0.05 . 2 . . . . 391 . . . 5822 1 1131 . 1 1 93 93 LEU HD23 H 1 0.58 0.05 . 2 . . . . 391 . . . 5822 1 1132 . 1 1 93 93 LEU HG H 1 1.44 0.05 . 1 . . . . 391 . . . 5822 1 1133 . 1 1 93 93 LEU N N 15 119.13 0.03 . 1 . . . . 391 . . . 5822 1 1134 . 1 1 94 94 SER C C 13 173.18 0.50 . 1 . . . . 392 . . . 5822 1 1135 . 1 1 94 94 SER CA C 13 56.70 0.50 . 1 . . . . 392 . . . 5822 1 1136 . 1 1 94 94 SER CB C 13 64.12 0.50 . 1 . . . . 392 . . . 5822 1 1137 . 1 1 94 94 SER H H 1 9.42 0.02 . 1 . . . . 392 . . . 5822 1 1138 . 1 1 94 94 SER HA H 1 4.76 0.05 . 1 . . . . 392 . . . 5822 1 1139 . 1 1 94 94 SER HB2 H 1 3.70 0.05 . 1 . . . . 392 . . . 5822 1 1140 . 1 1 94 94 SER HB3 H 1 3.70 0.05 . 1 . . . . 392 . . . 5822 1 1141 . 1 1 94 94 SER N N 15 118.99 0.03 . 1 . . . . 392 . . . 5822 1 1142 . 1 1 95 95 VAL C C 13 175.15 0.50 . 1 . . . . 393 . . . 5822 1 1143 . 1 1 95 95 VAL CA C 13 63.44 0.50 . 1 . . . . 393 . . . 5822 1 1144 . 1 1 95 95 VAL CB C 13 29.72 0.50 . 1 . . . . 393 . . . 5822 1 1145 . 1 1 95 95 VAL CG1 C 13 22.07 0.50 . 2 . . . . 393 . . . 5822 1 1146 . 1 1 95 95 VAL CG2 C 13 21.60 0.50 . 2 . . . . 393 . . . 5822 1 1147 . 1 1 95 95 VAL H H 1 8.64 0.02 . 1 . . . . 393 . . . 5822 1 1148 . 1 1 95 95 VAL HA H 1 3.83 0.05 . 1 . . . . 393 . . . 5822 1 1149 . 1 1 95 95 VAL HB H 1 2.31 0.05 . 1 . . . . 393 . . . 5822 1 1150 . 1 1 95 95 VAL HG11 H 1 0.77 0.05 . 2 . . . . 393 . . . 5822 1 1151 . 1 1 95 95 VAL HG12 H 1 0.77 0.05 . 2 . . . . 393 . . . 5822 1 1152 . 1 1 95 95 VAL HG13 H 1 0.77 0.05 . 2 . . . . 393 . . . 5822 1 1153 . 1 1 95 95 VAL HG21 H 1 0.58 0.05 . 2 . . . . 393 . . . 5822 1 1154 . 1 1 95 95 VAL HG22 H 1 0.58 0.05 . 2 . . . . 393 . . . 5822 1 1155 . 1 1 95 95 VAL HG23 H 1 0.58 0.05 . 2 . . . . 393 . . . 5822 1 1156 . 1 1 95 95 VAL N N 15 128.68 0.03 . 1 . . . . 393 . . . 5822 1 1157 . 1 1 96 96 LEU CA C 13 53.08 0.50 . 1 . . . . 394 . . . 5822 1 1158 . 1 1 96 96 LEU CB C 13 43.83 0.50 . 1 . . . . 394 . . . 5822 1 1159 . 1 1 96 96 LEU CD1 C 13 25.89 0.50 . 2 . . . . 394 . . . 5822 1 1160 . 1 1 96 96 LEU CD2 C 13 21.99 0.50 . 2 . . . . 394 . . . 5822 1 1161 . 1 1 96 96 LEU CG C 13 27.00 0.50 . 1 . . . . 394 . . . 5822 1 1162 . 1 1 96 96 LEU H H 1 8.08 0.02 . 1 . . . . 394 . . . 5822 1 1163 . 1 1 96 96 LEU HA H 1 4.50 0.05 . 1 . . . . 394 . . . 5822 1 1164 . 1 1 96 96 LEU HB2 H 1 1.78 0.05 . 1 . . . . 394 . . . 5822 1 1165 . 1 1 96 96 LEU HB3 H 1 1.78 0.05 . 1 . . . . 394 . . . 5822 1 1166 . 1 1 96 96 LEU HD11 H 1 0.71 0.05 . 2 . . . . 394 . . . 5822 1 1167 . 1 1 96 96 LEU HD12 H 1 0.71 0.05 . 2 . . . . 394 . . . 5822 1 1168 . 1 1 96 96 LEU HD13 H 1 0.71 0.05 . 2 . . . . 394 . . . 5822 1 1169 . 1 1 96 96 LEU HD21 H 1 0.58 0.05 . 2 . . . . 394 . . . 5822 1 1170 . 1 1 96 96 LEU HD22 H 1 0.58 0.05 . 2 . . . . 394 . . . 5822 1 1171 . 1 1 96 96 LEU HD23 H 1 0.58 0.05 . 2 . . . . 394 . . . 5822 1 1172 . 1 1 96 96 LEU HG H 1 1.52 0.05 . 1 . . . . 394 . . . 5822 1 1173 . 1 1 96 96 LEU N N 15 126.93 0.03 . 1 . . . . 394 . . . 5822 1 1174 . 1 1 98 98 SER C C 13 175.49 0.50 . 1 . . . . 396 . . . 5822 1 1175 . 1 1 98 98 SER CA C 13 57.08 0.50 . 1 . . . . 396 . . . 5822 1 1176 . 1 1 98 98 SER CB C 13 63.37 0.50 . 1 . . . . 396 . . . 5822 1 1177 . 1 1 98 98 SER HA H 1 4.25 0.05 . 1 . . . . 396 . . . 5822 1 1178 . 1 1 98 98 SER HB2 H 1 3.60 0.05 . 1 . . . . 396 . . . 5822 1 1179 . 1 1 98 98 SER HB3 H 1 3.60 0.05 . 1 . . . . 396 . . . 5822 1 1180 . 1 1 98 98 SER H H 1 8.15 0.05 . 2 . . . . 396 . . . 5822 1 1181 . 1 1 99 99 SER C C 13 174.87 0.50 . 1 . . . . 397 . . . 5822 1 1182 . 1 1 99 99 SER CA C 13 57.83 0.50 . 1 . . . . 397 . . . 5822 1 1183 . 1 1 99 99 SER CB C 13 63.30 0.50 . 1 . . . . 397 . . . 5822 1 1184 . 1 1 99 99 SER H H 1 7.58 0.02 . 1 . . . . 397 . . . 5822 1 1185 . 1 1 99 99 SER HA H 1 4.52 0.05 . 1 . . . . 397 . . . 5822 1 1186 . 1 1 99 99 SER HB2 H 1 3.72 0.05 . 1 . . . . 397 . . . 5822 1 1187 . 1 1 99 99 SER HB3 H 1 3.72 0.05 . 1 . . . . 397 . . . 5822 1 1188 . 1 1 99 99 SER N N 15 121.84 0.03 . 1 . . . . 397 . . . 5822 1 1189 . 1 1 100 100 THR C C 13 181.33 0.50 . 1 . . . . 398 . . . 5822 1 1190 . 1 1 100 100 THR CA C 13 62.34 0.50 . 1 . . . . 398 . . . 5822 1 1191 . 1 1 100 100 THR CB C 13 71.30 0.50 . 1 . . . . 398 . . . 5822 1 1192 . 1 1 100 100 THR CG2 C 13 21.77 0.50 . 1 . . . . 398 . . . 5822 1 1193 . 1 1 100 100 THR H H 1 8.30 0.02 . 1 . . . . 398 . . . 5822 1 1194 . 1 1 100 100 THR HA H 1 4.54 0.05 . 1 . . . . 398 . . . 5822 1 1195 . 1 1 100 100 THR HB H 1 3.74 0.05 . 1 . . . . 398 . . . 5822 1 1196 . 1 1 100 100 THR HG21 H 1 1.05 0.05 . 1 . . . . 398 . . . 5822 1 1197 . 1 1 100 100 THR HG22 H 1 1.05 0.05 . 1 . . . . 398 . . . 5822 1 1198 . 1 1 100 100 THR HG23 H 1 1.05 0.05 . 1 . . . . 398 . . . 5822 1 1199 . 1 1 100 100 THR N N 15 118.49 0.03 . 1 . . . . 398 . . . 5822 1 1200 . 1 1 101 101 ILE C C 13 175.19 0.50 . 1 . . . . 399 . . . 5822 1 1201 . 1 1 101 101 ILE CA C 13 60.69 0.50 . 1 . . . . 399 . . . 5822 1 1202 . 1 1 101 101 ILE CB C 13 40.05 0.50 . 1 . . . . 399 . . . 5822 1 1203 . 1 1 101 101 ILE CD1 C 13 13.63 0.50 . 1 . . . . 399 . . . 5822 1 1204 . 1 1 101 101 ILE CG1 C 13 27.65 0.50 . 1 . . . . 399 . . . 5822 1 1205 . 1 1 101 101 ILE CG2 C 13 17.91 0.50 . 1 . . . . 399 . . . 5822 1 1206 . 1 1 101 101 ILE H H 1 8.77 0.02 . 1 . . . . 399 . . . 5822 1 1207 . 1 1 101 101 ILE HA H 1 4.61 0.05 . 1 . . . . 399 . . . 5822 1 1208 . 1 1 101 101 ILE HB H 1 1.59 0.05 . 1 . . . . 399 . . . 5822 1 1209 . 1 1 101 101 ILE HD11 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1210 . 1 1 101 101 ILE HD12 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1211 . 1 1 101 101 ILE HD13 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1212 . 1 1 101 101 ILE HG12 H 1 1.40 0.05 . 1 . . . . 399 . . . 5822 1 1213 . 1 1 101 101 ILE HG13 H 1 1.40 0.05 . 1 . . . . 399 . . . 5822 1 1214 . 1 1 101 101 ILE HG21 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1215 . 1 1 101 101 ILE HG22 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1216 . 1 1 101 101 ILE HG23 H 1 0.65 0.05 . 1 . . . . 399 . . . 5822 1 1217 . 1 1 101 101 ILE N N 15 126.80 0.03 . 1 . . . . 399 . . . 5822 1 1218 . 1 1 102 102 ILE C C 13 174.32 0.50 . 1 . . . . 400 . . . 5822 1 1219 . 1 1 102 102 ILE CA C 13 60.12 0.50 . 1 . . . . 400 . . . 5822 1 1220 . 1 1 102 102 ILE CB C 13 40.61 0.50 . 1 . . . . 400 . . . 5822 1 1221 . 1 1 102 102 ILE CD1 C 13 13.67 0.50 . 1 . . . . 400 . . . 5822 1 1222 . 1 1 102 102 ILE CG1 C 13 27.45 0.50 . 1 . . . . 400 . . . 5822 1 1223 . 1 1 102 102 ILE CG2 C 13 18.72 0.50 . 1 . . . . 400 . . . 5822 1 1224 . 1 1 102 102 ILE H H 1 9.22 0.02 . 1 . . . . 400 . . . 5822 1 1225 . 1 1 102 102 ILE HA H 1 4.26 0.05 . 1 . . . . 400 . . . 5822 1 1226 . 1 1 102 102 ILE HB H 1 1.70 0.05 . 1 . . . . 400 . . . 5822 1 1227 . 1 1 102 102 ILE HD11 H 1 0.79 0.05 . 1 . . . . 400 . . . 5822 1 1228 . 1 1 102 102 ILE HD12 H 1 0.79 0.05 . 1 . . . . 400 . . . 5822 1 1229 . 1 1 102 102 ILE HD13 H 1 0.79 0.05 . 1 . . . . 400 . . . 5822 1 1230 . 1 1 102 102 ILE HG12 H 1 1.36 0.05 . 2 . . . . 400 . . . 5822 1 1231 . 1 1 102 102 ILE HG13 H 1 1.07 0.05 . 2 . . . . 400 . . . 5822 1 1232 . 1 1 102 102 ILE HG21 H 1 0.74 0.05 . 1 . . . . 400 . . . 5822 1 1233 . 1 1 102 102 ILE HG22 H 1 0.74 0.05 . 1 . . . . 400 . . . 5822 1 1234 . 1 1 102 102 ILE HG23 H 1 0.74 0.05 . 1 . . . . 400 . . . 5822 1 1235 . 1 1 102 102 ILE N N 15 128.77 0.03 . 1 . . . . 400 . . . 5822 1 1236 . 1 1 103 103 ALA C C 13 176.79 0.50 . 1 . . . . 401 . . . 5822 1 1237 . 1 1 103 103 ALA CA C 13 50.73 0.50 . 1 . . . . 401 . . . 5822 1 1238 . 1 1 103 103 ALA CB C 13 19.13 0.50 . 1 . . . . 401 . . . 5822 1 1239 . 1 1 103 103 ALA H H 1 8.60 0.02 . 1 . . . . 401 . . . 5822 1 1240 . 1 1 103 103 ALA HA H 1 4.80 0.05 . 1 . . . . 401 . . . 5822 1 1241 . 1 1 103 103 ALA HB1 H 1 1.11 0.05 . 1 . . . . 401 . . . 5822 1 1242 . 1 1 103 103 ALA HB2 H 1 1.11 0.05 . 1 . . . . 401 . . . 5822 1 1243 . 1 1 103 103 ALA HB3 H 1 1.11 0.05 . 1 . . . . 401 . . . 5822 1 1244 . 1 1 103 103 ALA N N 15 130.52 0.03 . 1 . . . . 401 . . . 5822 1 1245 . 1 1 104 104 ASN CA C 13 53.61 0.50 . 1 . . . . 402 . . . 5822 1 1246 . 1 1 104 104 ASN CB C 13 37.67 0.50 . 1 . . . . 402 . . . 5822 1 1247 . 1 1 104 104 ASN H H 1 9.72 0.02 . 1 . . . . 402 . . . 5822 1 1248 . 1 1 104 104 ASN HA H 1 4.07 0.05 . 1 . . . . 402 . . . 5822 1 1249 . 1 1 104 104 ASN HB2 H 1 2.67 0.05 . 2 . . . . 402 . . . 5822 1 1250 . 1 1 104 104 ASN HB3 H 1 2.54 0.05 . 2 . . . . 402 . . . 5822 1 1251 . 1 1 104 104 ASN HD21 H 1 6.73 0.05 . 2 . . . . 402 . . . 5822 1 1252 . 1 1 104 104 ASN HD22 H 1 7.66 0.05 . 2 . . . . 402 . . . 5822 1 1253 . 1 1 104 104 ASN N N 15 117.40 0.03 . 1 . . . . 402 . . . 5822 1 1254 . 1 1 104 104 ASN ND2 N 15 116.55 0.03 . 1 . . . . 402 . . . 5822 1 1255 . 1 1 105 105 PRO C C 13 176.43 0.50 . 1 . . . . 403 . . . 5822 1 1256 . 1 1 105 105 PRO CA C 13 62.31 0.50 . 1 . . . . 403 . . . 5822 1 1257 . 1 1 105 105 PRO CB C 13 31.48 0.50 . 1 . . . . 403 . . . 5822 1 1258 . 1 1 105 105 PRO CD C 13 50.89 0.50 . 1 . . . . 403 . . . 5822 1 1259 . 1 1 105 105 PRO CG C 13 26.89 0.50 . 1 . . . . 403 . . . 5822 1 1260 . 1 1 105 105 PRO HA H 1 4.25 0.05 . 1 . . . . 403 . . . 5822 1 1261 . 1 1 105 105 PRO HB2 H 1 2.12 0.05 . 2 . . . . 403 . . . 5822 1 1262 . 1 1 105 105 PRO HB3 H 1 1.72 0.05 . 2 . . . . 403 . . . 5822 1 1263 . 1 1 105 105 PRO HD2 H 1 3.68 0.05 . 2 . . . . 403 . . . 5822 1 1264 . 1 1 105 105 PRO HD3 H 1 3.47 0.05 . 2 . . . . 403 . . . 5822 1 1265 . 1 1 105 105 PRO HG2 H 1 1.86 0.05 . 2 . . . . 403 . . . 5822 1 1266 . 1 1 105 105 PRO HG3 H 1 1.78 0.05 . 2 . . . . 403 . . . 5822 1 1267 . 1 1 106 106 ASP C C 13 174.87 0.50 . 1 . . . . 404 . . . 5822 1 1268 . 1 1 106 106 ASP CA C 13 52.81 0.50 . 1 . . . . 404 . . . 5822 1 1269 . 1 1 106 106 ASP CB C 13 39.50 0.50 . 1 . . . . 404 . . . 5822 1 1270 . 1 1 106 106 ASP H H 1 8.72 0.02 . 1 . . . . 404 . . . 5822 1 1271 . 1 1 106 106 ASP HA H 1 4.72 0.05 . 1 . . . . 404 . . . 5822 1 1272 . 1 1 106 106 ASP HB2 H 1 2.75 0.05 . 2 . . . . 404 . . . 5822 1 1273 . 1 1 106 106 ASP HB3 H 1 2.45 0.05 . 2 . . . . 404 . . . 5822 1 1274 . 1 1 106 106 ASP N N 15 124.73 0.03 . 1 . . . . 404 . . . 5822 1 1275 . 1 1 107 107 ILE CA C 13 57.52 0.50 . 1 . . . . 405 . . . 5822 1 1276 . 1 1 107 107 ILE CB C 13 39.19 0.50 . 1 . . . . 405 . . . 5822 1 1277 . 1 1 107 107 ILE CD1 C 13 12.64 0.50 . 1 . . . . 405 . . . 5822 1 1278 . 1 1 107 107 ILE CG1 C 13 25.57 0.50 . 1 . . . . 405 . . . 5822 1 1279 . 1 1 107 107 ILE CG2 C 13 17.91 0.50 . 1 . . . . 405 . . . 5822 1 1280 . 1 1 107 107 ILE H H 1 7.05 0.02 . 1 . . . . 405 . . . 5822 1 1281 . 1 1 107 107 ILE HA H 1 4.87 0.05 . 1 . . . . 405 . . . 5822 1 1282 . 1 1 107 107 ILE HB H 1 2.21 0.05 . 1 . . . . 405 . . . 5822 1 1283 . 1 1 107 107 ILE HD11 H 1 0.65 0.05 . 1 . . . . 405 . . . 5822 1 1284 . 1 1 107 107 ILE HD12 H 1 0.65 0.05 . 1 . . . . 405 . . . 5822 1 1285 . 1 1 107 107 ILE HD13 H 1 0.65 0.05 . 1 . . . . 405 . . . 5822 1 1286 . 1 1 107 107 ILE HG12 H 1 1.16 0.05 . 2 . . . . 405 . . . 5822 1 1287 . 1 1 107 107 ILE HG13 H 1 1.28 0.05 . 2 . . . . 405 . . . 5822 1 1288 . 1 1 107 107 ILE HG21 H 1 0.86 0.05 . 1 . . . . 405 . . . 5822 1 1289 . 1 1 107 107 ILE HG22 H 1 0.86 0.05 . 1 . . . . 405 . . . 5822 1 1290 . 1 1 107 107 ILE HG23 H 1 0.86 0.05 . 1 . . . . 405 . . . 5822 1 1291 . 1 1 107 107 ILE N N 15 113.06 0.03 . 1 . . . . 405 . . . 5822 1 1292 . 1 1 108 108 PRO C C 13 179.21 0.50 . 1 . . . . 406 . . . 5822 1 1293 . 1 1 108 108 PRO CA C 13 65.90 0.50 . 1 . . . . 406 . . . 5822 1 1294 . 1 1 108 108 PRO CB C 13 32.08 0.50 . 1 . . . . 406 . . . 5822 1 1295 . 1 1 108 108 PRO CD C 13 50.60 0.50 . 1 . . . . 406 . . . 5822 1 1296 . 1 1 108 108 PRO CG C 13 27.48 0.50 . 1 . . . . 406 . . . 5822 1 1297 . 1 1 108 108 PRO HA H 1 4.18 0.05 . 1 . . . . 406 . . . 5822 1 1298 . 1 1 108 108 PRO HB2 H 1 1.82 0.05 . 2 . . . . 406 . . . 5822 1 1299 . 1 1 108 108 PRO HB3 H 1 2.30 0.05 . 2 . . . . 406 . . . 5822 1 1300 . 1 1 108 108 PRO HD2 H 1 3.79 0.05 . 1 . . . . 406 . . . 5822 1 1301 . 1 1 108 108 PRO HD3 H 1 3.79 0.05 . 1 . . . . 406 . . . 5822 1 1302 . 1 1 108 108 PRO HG2 H 1 1.93 0.05 . 2 . . . . 406 . . . 5822 1 1303 . 1 1 108 108 PRO HG3 H 1 2.10 0.05 . 2 . . . . 406 . . . 5822 1 1304 . 1 1 109 109 GLU C C 13 176.04 0.50 . 1 . . . . 407 . . . 5822 1 1305 . 1 1 109 109 GLU CA C 13 60.53 0.50 . 1 . . . . 407 . . . 5822 1 1306 . 1 1 109 109 GLU CB C 13 29.44 0.50 . 1 . . . . 407 . . . 5822 1 1307 . 1 1 109 109 GLU CG C 13 37.27 0.50 . 1 . . . . 407 . . . 5822 1 1308 . 1 1 109 109 GLU H H 1 10.15 0.02 . 1 . . . . 407 . . . 5822 1 1309 . 1 1 109 109 GLU HA H 1 3.67 0.05 . 1 . . . . 407 . . . 5822 1 1310 . 1 1 109 109 GLU HB2 H 1 1.59 0.05 . 2 . . . . 407 . . . 5822 1 1311 . 1 1 109 109 GLU HB3 H 1 1.48 0.05 . 2 . . . . 407 . . . 5822 1 1312 . 1 1 109 109 GLU HG2 H 1 2.40 0.05 . 2 . . . . 407 . . . 5822 1 1313 . 1 1 109 109 GLU HG3 H 1 2.19 0.05 . 2 . . . . 407 . . . 5822 1 1314 . 1 1 109 109 GLU N N 15 118.21 0.03 . 1 . . . . 407 . . . 5822 1 1315 . 1 1 110 110 ALA C C 13 178.57 0.50 . 1 . . . . 408 . . . 5822 1 1316 . 1 1 110 110 ALA CA C 13 54.54 0.50 . 1 . . . . 408 . . . 5822 1 1317 . 1 1 110 110 ALA CB C 13 19.58 0.50 . 1 . . . . 408 . . . 5822 1 1318 . 1 1 110 110 ALA H H 1 7.44 0.02 . 1 . . . . 408 . . . 5822 1 1319 . 1 1 110 110 ALA HA H 1 3.82 0.05 . 1 . . . . 408 . . . 5822 1 1320 . 1 1 110 110 ALA HB1 H 1 1.27 0.05 . 1 . . . . 408 . . . 5822 1 1321 . 1 1 110 110 ALA HB2 H 1 1.27 0.05 . 1 . . . . 408 . . . 5822 1 1322 . 1 1 110 110 ALA HB3 H 1 1.27 0.05 . 1 . . . . 408 . . . 5822 1 1323 . 1 1 110 110 ALA N N 15 119.77 0.03 . 1 . . . . 408 . . . 5822 1 1324 . 1 1 111 111 TYR C C 13 179.55 0.50 . 1 . . . . 409 . . . 5822 1 1325 . 1 1 111 111 TYR CA C 13 60.28 0.50 . 1 . . . . 409 . . . 5822 1 1326 . 1 1 111 111 TYR CB C 13 37.15 0.50 . 1 . . . . 409 . . . 5822 1 1327 . 1 1 111 111 TYR CD1 C 13 133.53 0.50 . 1 . . . . 409 . . . 5822 1 1328 . 1 1 111 111 TYR CD2 C 13 133.53 0.50 . 1 . . . . 409 . . . 5822 1 1329 . 1 1 111 111 TYR CE1 C 13 119.13 0.50 . 1 . . . . 409 . . . 5822 1 1330 . 1 1 111 111 TYR CE2 C 13 119.13 0.50 . 1 . . . . 409 . . . 5822 1 1331 . 1 1 111 111 TYR H H 1 6.94 0.02 . 1 . . . . 409 . . . 5822 1 1332 . 1 1 111 111 TYR HA H 1 4.17 0.05 . 1 . . . . 409 . . . 5822 1 1333 . 1 1 111 111 TYR HB2 H 1 3.15 0.05 . 2 . . . . 409 . . . 5822 1 1334 . 1 1 111 111 TYR HB3 H 1 2.89 0.05 . 2 . . . . 409 . . . 5822 1 1335 . 1 1 111 111 TYR HD1 H 1 7.05 0.05 . 1 . . . . 409 . . . 5822 1 1336 . 1 1 111 111 TYR HD2 H 1 7.05 0.05 . 1 . . . . 409 . . . 5822 1 1337 . 1 1 111 111 TYR HE1 H 1 6.67 0.05 . 1 . . . . 409 . . . 5822 1 1338 . 1 1 111 111 TYR HE2 H 1 6.67 0.05 . 1 . . . . 409 . . . 5822 1 1339 . 1 1 111 111 TYR N N 15 118.88 0.03 . 1 . . . . 409 . . . 5822 1 1340 . 1 1 112 112 LYS C C 13 179.09 0.50 . 1 . . . . 410 . . . 5822 1 1341 . 1 1 112 112 LYS CA C 13 59.04 0.50 . 1 . . . . 410 . . . 5822 1 1342 . 1 1 112 112 LYS CB C 13 32.25 0.50 . 1 . . . . 410 . . . 5822 1 1343 . 1 1 112 112 LYS CD C 13 29.71 0.50 . 1 . . . . 410 . . . 5822 1 1344 . 1 1 112 112 LYS CE C 13 42.18 0.50 . 1 . . . . 410 . . . 5822 1 1345 . 1 1 112 112 LYS CG C 13 24.84 0.50 . 1 . . . . 410 . . . 5822 1 1346 . 1 1 112 112 LYS H H 1 7.80 0.02 . 1 . . . . 410 . . . 5822 1 1347 . 1 1 112 112 LYS HA H 1 3.95 0.05 . 1 . . . . 410 . . . 5822 1 1348 . 1 1 112 112 LYS HB2 H 1 1.72 0.05 . 1 . . . . 410 . . . 5822 1 1349 . 1 1 112 112 LYS HB3 H 1 1.72 0.05 . 1 . . . . 410 . . . 5822 1 1350 . 1 1 112 112 LYS HD2 H 1 1.41 0.05 . 2 . . . . 410 . . . 5822 1 1351 . 1 1 112 112 LYS HD3 H 1 1.55 0.05 . 2 . . . . 410 . . . 5822 1 1352 . 1 1 112 112 LYS HE2 H 1 2.79 0.05 . 1 . . . . 410 . . . 5822 1 1353 . 1 1 112 112 LYS HE3 H 1 2.79 0.05 . 1 . . . . 410 . . . 5822 1 1354 . 1 1 112 112 LYS HG2 H 1 1.20 0.05 . 1 . . . . 410 . . . 5822 1 1355 . 1 1 112 112 LYS HG3 H 1 1.20 0.05 . 1 . . . . 410 . . . 5822 1 1356 . 1 1 112 112 LYS N N 15 120.73 0.03 . 1 . . . . 410 . . . 5822 1 1357 . 1 1 113 113 LEU C C 13 177.79 0.50 . 1 . . . . 411 . . . 5822 1 1358 . 1 1 113 113 LEU CA C 13 58.43 0.50 . 1 . . . . 411 . . . 5822 1 1359 . 1 1 113 113 LEU CB C 13 42.28 0.50 . 1 . . . . 411 . . . 5822 1 1360 . 1 1 113 113 LEU CD1 C 13 25.89 0.50 . 2 . . . . 411 . . . 5822 1 1361 . 1 1 113 113 LEU CD2 C 13 25.62 0.50 . 2 . . . . 411 . . . 5822 1 1362 . 1 1 113 113 LEU CG C 13 28.01 0.50 . 1 . . . . 411 . . . 5822 1 1363 . 1 1 113 113 LEU H H 1 7.31 0.02 . 1 . . . . 411 . . . 5822 1 1364 . 1 1 113 113 LEU HA H 1 3.95 0.05 . 1 . . . . 411 . . . 5822 1 1365 . 1 1 113 113 LEU HB2 H 1 1.44 0.05 . 2 . . . . 411 . . . 5822 1 1366 . 1 1 113 113 LEU HB3 H 1 1.75 0.05 . 2 . . . . 411 . . . 5822 1 1367 . 1 1 113 113 LEU HD11 H 1 0.72 0.05 . 2 . . . . 411 . . . 5822 1 1368 . 1 1 113 113 LEU HD12 H 1 0.72 0.05 . 2 . . . . 411 . . . 5822 1 1369 . 1 1 113 113 LEU HD13 H 1 0.72 0.05 . 2 . . . . 411 . . . 5822 1 1370 . 1 1 113 113 LEU HD21 H 1 0.82 0.05 . 2 . . . . 411 . . . 5822 1 1371 . 1 1 113 113 LEU HD22 H 1 0.82 0.05 . 2 . . . . 411 . . . 5822 1 1372 . 1 1 113 113 LEU HD23 H 1 0.82 0.05 . 2 . . . . 411 . . . 5822 1 1373 . 1 1 113 113 LEU HG H 1 1.54 0.05 . 1 . . . . 411 . . . 5822 1 1374 . 1 1 113 113 LEU N N 15 120.72 0.03 . 1 . . . . 411 . . . 5822 1 1375 . 1 1 114 114 ARG C C 13 177.74 0.50 . 1 . . . . 412 . . . 5822 1 1376 . 1 1 114 114 ARG CA C 13 59.49 0.50 . 1 . . . . 412 . . . 5822 1 1377 . 1 1 114 114 ARG CB C 13 30.76 0.50 . 1 . . . . 412 . . . 5822 1 1378 . 1 1 114 114 ARG CD C 13 43.23 0.50 . 1 . . . . 412 . . . 5822 1 1379 . 1 1 114 114 ARG CG C 13 26.47 0.50 . 1 . . . . 412 . . . 5822 1 1380 . 1 1 114 114 ARG H H 1 8.12 0.02 . 1 . . . . 412 . . . 5822 1 1381 . 1 1 114 114 ARG HA H 1 3.84 0.05 . 1 . . . . 412 . . . 5822 1 1382 . 1 1 114 114 ARG HB2 H 1 1.89 0.05 . 2 . . . . 412 . . . 5822 1 1383 . 1 1 114 114 ARG HB3 H 1 1.75 0.05 . 2 . . . . 412 . . . 5822 1 1384 . 1 1 114 114 ARG HD2 H 1 3.19 0.05 . 2 . . . . 412 . . . 5822 1 1385 . 1 1 114 114 ARG HD3 H 1 3.12 0.05 . 2 . . . . 412 . . . 5822 1 1386 . 1 1 114 114 ARG HG2 H 1 1.56 0.05 . 2 . . . . 412 . . . 5822 1 1387 . 1 1 114 114 ARG HG3 H 1 1.63 0.05 . 2 . . . . 412 . . . 5822 1 1388 . 1 1 114 114 ARG N N 15 119.75 0.03 . 1 . . . . 412 . . . 5822 1 1389 . 1 1 115 115 GLY C C 13 176.50 0.50 . 1 . . . . 413 . . . 5822 1 1390 . 1 1 115 115 GLY CA C 13 47.01 0.50 . 1 . . . . 413 . . . 5822 1 1391 . 1 1 115 115 GLY H H 1 7.93 0.02 . 1 . . . . 413 . . . 5822 1 1392 . 1 1 115 115 GLY HA2 H 1 3.83 0.05 . 1 . . . . 413 . . . 5822 1 1393 . 1 1 115 115 GLY HA3 H 1 3.83 0.05 . 1 . . . . 413 . . . 5822 1 1394 . 1 1 115 115 GLY N N 15 104.71 0.03 . 1 . . . . 413 . . . 5822 1 1395 . 1 1 116 116 TRP C C 13 177.70 0.50 . 1 . . . . 414 . . . 5822 1 1396 . 1 1 116 116 TRP CA C 13 61.05 0.50 . 1 . . . . 414 . . . 5822 1 1397 . 1 1 116 116 TRP CB C 13 28.64 0.50 . 1 . . . . 414 . . . 5822 1 1398 . 1 1 116 116 TRP CD1 C 13 127.46 0.50 . 1 . . . . 414 . . . 5822 1 1399 . 1 1 116 116 TRP CE3 C 13 121.67 0.50 . 1 . . . . 414 . . . 5822 1 1400 . 1 1 116 116 TRP CH2 C 13 124.11 0.50 . 1 . . . . 414 . . . 5822 1 1401 . 1 1 116 116 TRP CZ2 C 13 115.81 0.50 . 1 . . . . 414 . . . 5822 1 1402 . 1 1 116 116 TRP CZ3 C 13 121.60 0.50 . 1 . . . . 414 . . . 5822 1 1403 . 1 1 116 116 TRP H H 1 7.89 0.02 . 1 . . . . 414 . . . 5822 1 1404 . 1 1 116 116 TRP HA H 1 4.25 0.05 . 1 . . . . 414 . . . 5822 1 1405 . 1 1 116 116 TRP HB2 H 1 3.30 0.05 . 1 . . . . 414 . . . 5822 1 1406 . 1 1 116 116 TRP HB3 H 1 3.30 0.05 . 1 . . . . 414 . . . 5822 1 1407 . 1 1 116 116 TRP HD1 H 1 7.12 0.05 . 1 . . . . 414 . . . 5822 1 1408 . 1 1 116 116 TRP HE1 H 1 9.98 0.05 . 1 . . . . 414 . . . 5822 1 1409 . 1 1 116 116 TRP HE3 H 1 7.55 0.05 . 1 . . . . 414 . . . 5822 1 1410 . 1 1 116 116 TRP HH2 H 1 6.94 0.05 . 1 . . . . 414 . . . 5822 1 1411 . 1 1 116 116 TRP HZ2 H 1 7.22 0.05 . 1 . . . . 414 . . . 5822 1 1412 . 1 1 116 116 TRP HZ3 H 1 6.66 0.05 . 1 . . . . 414 . . . 5822 1 1413 . 1 1 116 116 TRP N N 15 123.13 0.03 . 1 . . . . 414 . . . 5822 1 1414 . 1 1 116 116 TRP NE1 N 15 131.72 0.03 . 1 . . . . 414 . . . 5822 1 1415 . 1 1 117 117 PHE C C 13 176.71 0.50 . 1 . . . . 415 . . . 5822 1 1416 . 1 1 117 117 PHE CA C 13 61.70 0.50 . 1 . . . . 415 . . . 5822 1 1417 . 1 1 117 117 PHE CB C 13 39.79 0.50 . 1 . . . . 415 . . . 5822 1 1418 . 1 1 117 117 PHE CD1 C 13 131.19 0.50 . 1 . . . . 415 . . . 5822 1 1419 . 1 1 117 117 PHE CD2 C 13 131.19 0.50 . 1 . . . . 415 . . . 5822 1 1420 . 1 1 117 117 PHE CE1 C 13 131.12 0.50 . 1 . . . . 415 . . . 5822 1 1421 . 1 1 117 117 PHE CE2 C 13 131.12 0.50 . 1 . . . . 415 . . . 5822 1 1422 . 1 1 117 117 PHE CZ C 13 129.48 0.50 . 1 . . . . 415 . . . 5822 1 1423 . 1 1 117 117 PHE H H 1 8.88 0.02 . 1 . . . . 415 . . . 5822 1 1424 . 1 1 117 117 PHE HA H 1 4.46 0.05 . 1 . . . . 415 . . . 5822 1 1425 . 1 1 117 117 PHE HB2 H 1 3.01 0.05 . 1 . . . . 415 . . . 5822 1 1426 . 1 1 117 117 PHE HB3 H 1 3.01 0.05 . 1 . . . . 415 . . . 5822 1 1427 . 1 1 117 117 PHE HD1 H 1 7.00 0.05 . 1 . . . . 415 . . . 5822 1 1428 . 1 1 117 117 PHE HD2 H 1 7.00 0.05 . 1 . . . . 415 . . . 5822 1 1429 . 1 1 117 117 PHE HE1 H 1 7.11 0.05 . 1 . . . . 415 . . . 5822 1 1430 . 1 1 117 117 PHE HE2 H 1 7.11 0.05 . 1 . . . . 415 . . . 5822 1 1431 . 1 1 117 117 PHE HZ H 1 7.14 0.05 . 1 . . . . 415 . . . 5822 1 1432 . 1 1 117 117 PHE N N 15 122.56 0.03 . 1 . . . . 415 . . . 5822 1 1433 . 1 1 118 118 ASP C C 13 176.91 0.50 . 1 . . . . 416 . . . 5822 1 1434 . 1 1 118 118 ASP CA C 13 56.24 0.50 . 1 . . . . 416 . . . 5822 1 1435 . 1 1 118 118 ASP CB C 13 40.36 0.50 . 1 . . . . 416 . . . 5822 1 1436 . 1 1 118 118 ASP H H 1 8.17 0.02 . 1 . . . . 416 . . . 5822 1 1437 . 1 1 118 118 ASP HA H 1 4.11 0.05 . 1 . . . . 416 . . . 5822 1 1438 . 1 1 118 118 ASP HB2 H 1 2.54 0.05 . 1 . . . . 416 . . . 5822 1 1439 . 1 1 118 118 ASP HB3 H 1 2.54 0.05 . 1 . . . . 416 . . . 5822 1 1440 . 1 1 118 118 ASP N N 15 117.75 0.03 . 1 . . . . 416 . . . 5822 1 1441 . 1 1 119 119 ALA C C 13 178.00 0.50 . 1 . . . . 417 . . . 5822 1 1442 . 1 1 119 119 ALA CA C 13 53.38 0.50 . 1 . . . . 417 . . . 5822 1 1443 . 1 1 119 119 ALA CB C 13 19.51 0.50 . 1 . . . . 417 . . . 5822 1 1444 . 1 1 119 119 ALA H H 1 7.14 0.02 . 1 . . . . 417 . . . 5822 1 1445 . 1 1 119 119 ALA HA H 1 4.09 0.05 . 1 . . . . 417 . . . 5822 1 1446 . 1 1 119 119 ALA HB1 H 1 1.28 0.05 . 1 . . . . 417 . . . 5822 1 1447 . 1 1 119 119 ALA HB2 H 1 1.28 0.05 . 1 . . . . 417 . . . 5822 1 1448 . 1 1 119 119 ALA HB3 H 1 1.28 0.05 . 1 . . . . 417 . . . 5822 1 1449 . 1 1 119 119 ALA N N 15 121.16 0.03 . 1 . . . . 417 . . . 5822 1 1450 . 1 1 120 120 GLU C C 13 177.33 0.50 . 1 . . . . 418 . . . 5822 1 1451 . 1 1 120 120 GLU CA C 13 57.25 0.50 . 1 . . . . 418 . . . 5822 1 1452 . 1 1 120 120 GLU CB C 13 31.12 0.50 . 1 . . . . 418 . . . 5822 1 1453 . 1 1 120 120 GLU CG C 13 36.04 0.50 . 1 . . . . 418 . . . 5822 1 1454 . 1 1 120 120 GLU H H 1 7.86 0.02 . 1 . . . . 418 . . . 5822 1 1455 . 1 1 120 120 GLU HA H 1 3.99 0.05 . 1 . . . . 418 . . . 5822 1 1456 . 1 1 120 120 GLU HB2 H 1 1.60 0.05 . 2 . . . . 418 . . . 5822 1 1457 . 1 1 120 120 GLU HB3 H 1 1.26 0.05 . 2 . . . . 418 . . . 5822 1 1458 . 1 1 120 120 GLU HG2 H 1 1.82 0.05 . 1 . . . . 418 . . . 5822 1 1459 . 1 1 120 120 GLU HG3 H 1 1.82 0.05 . 1 . . . . 418 . . . 5822 1 1460 . 1 1 120 120 GLU N N 15 117.20 0.03 . 1 . . . . 418 . . . 5822 1 1461 . 1 1 121 121 GLY C C 13 174.40 0.50 . 1 . . . . 419 . . . 5822 1 1462 . 1 1 121 121 GLY CA C 13 46.38 0.50 . 1 . . . . 419 . . . 5822 1 1463 . 1 1 121 121 GLY H H 1 7.44 0.02 . 1 . . . . 419 . . . 5822 1 1464 . 1 1 121 121 GLY HA2 H 1 3.22 0.05 . 2 . . . . 419 . . . 5822 1 1465 . 1 1 121 121 GLY HA3 H 1 2.60 0.05 . 2 . . . . 419 . . . 5822 1 1466 . 1 1 121 121 GLY N N 15 107.64 0.03 . 1 . . . . 419 . . . 5822 1 1467 . 1 1 122 122 GLN C C 13 175.28 0.50 . 1 . . . . 420 . . . 5822 1 1468 . 1 1 122 122 GLN CA C 13 56.21 0.50 . 1 . . . . 420 . . . 5822 1 1469 . 1 1 122 122 GLN CB C 13 28.22 0.50 . 1 . . . . 420 . . . 5822 1 1470 . 1 1 122 122 GLN CG C 13 33.36 0.50 . 1 . . . . 420 . . . 5822 1 1471 . 1 1 122 122 GLN H H 1 7.73 0.02 . 1 . . . . 420 . . . 5822 1 1472 . 1 1 122 122 GLN HA H 1 3.54 0.05 . 1 . . . . 420 . . . 5822 1 1473 . 1 1 122 122 GLN HB2 H 1 1.54 0.05 . 2 . . . . 420 . . . 5822 1 1474 . 1 1 122 122 GLN HB3 H 1 1.46 0.05 . 2 . . . . 420 . . . 5822 1 1475 . 1 1 122 122 GLN HG2 H 1 1.92 0.05 . 2 . . . . 420 . . . 5822 1 1476 . 1 1 122 122 GLN HG3 H 1 1.85 0.05 . 2 . . . . 420 . . . 5822 1 1477 . 1 1 122 122 GLN HE21 H 1 6.49 0.05 . 2 . . . . 420 . . . 5822 1 1478 . 1 1 122 122 GLN HE22 H 1 7.17 0.05 . 2 . . . . 420 . . . 5822 1 1479 . 1 1 122 122 GLN N N 15 118.58 0.03 . 1 . . . . 420 . . . 5822 1 1480 . 1 1 122 122 GLN NE2 N 15 112.61 0.03 . 1 . . . . 420 . . . 5822 1 1481 . 1 1 123 123 ALA C C 13 176.70 0.50 . 1 . . . . 421 . . . 5822 1 1482 . 1 1 123 123 ALA CA C 13 51.69 0.50 . 1 . . . . 421 . . . 5822 1 1483 . 1 1 123 123 ALA CB C 13 19.14 0.50 . 1 . . . . 421 . . . 5822 1 1484 . 1 1 123 123 ALA H H 1 7.35 0.02 . 1 . . . . 421 . . . 5822 1 1485 . 1 1 123 123 ALA HA H 1 4.16 0.05 . 1 . . . . 421 . . . 5822 1 1486 . 1 1 123 123 ALA HB1 H 1 1.17 0.05 . 1 . . . . 421 . . . 5822 1 1487 . 1 1 123 123 ALA HB2 H 1 1.17 0.05 . 1 . . . . 421 . . . 5822 1 1488 . 1 1 123 123 ALA HB3 H 1 1.17 0.05 . 1 . . . . 421 . . . 5822 1 1489 . 1 1 123 123 ALA N N 15 123.13 0.03 . 1 . . . . 421 . . . 5822 1 1490 . 1 1 124 124 LEU CA C 13 56.73 0.50 . 1 . . . . 422 . . . 5822 1 1491 . 1 1 124 124 LEU CB C 13 41.06 0.50 . 1 . . . . 422 . . . 5822 1 1492 . 1 1 124 124 LEU CD1 C 13 22.83 0.50 . 2 . . . . 422 . . . 5822 1 1493 . 1 1 124 124 LEU CD2 C 13 26.11 0.50 . 2 . . . . 422 . . . 5822 1 1494 . 1 1 124 124 LEU CG C 13 27.21 0.50 . 1 . . . . 422 . . . 5822 1 1495 . 1 1 124 124 LEU H H 1 7.15 0.02 . 1 . . . . 422 . . . 5822 1 1496 . 1 1 124 124 LEU HA H 1 3.91 0.05 . 1 . . . . 422 . . . 5822 1 1497 . 1 1 124 124 LEU HB2 H 1 1.46 0.05 . 1 . . . . 422 . . . 5822 1 1498 . 1 1 124 124 LEU HB3 H 1 1.46 0.05 . 1 . . . . 422 . . . 5822 1 1499 . 1 1 124 124 LEU HD11 H 1 0.70 0.05 . 2 . . . . 422 . . . 5822 1 1500 . 1 1 124 124 LEU HD12 H 1 0.70 0.05 . 2 . . . . 422 . . . 5822 1 1501 . 1 1 124 124 LEU HD13 H 1 0.70 0.05 . 2 . . . . 422 . . . 5822 1 1502 . 1 1 124 124 LEU HD21 H 1 0.85 0.05 . 2 . . . . 422 . . . 5822 1 1503 . 1 1 124 124 LEU HD22 H 1 0.85 0.05 . 2 . . . . 422 . . . 5822 1 1504 . 1 1 124 124 LEU HD23 H 1 0.85 0.05 . 2 . . . . 422 . . . 5822 1 1505 . 1 1 124 124 LEU HG H 1 1.46 0.05 . 1 . . . . 422 . . . 5822 1 1506 . 1 1 124 124 LEU N N 15 126.44 0.03 . 1 . . . . 422 . . . 5822 1 stop_ save_