data_17491 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17491 _Entry.Title ; Backbone Resonance Assignments for the C-terminus of Prp24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-25 _Entry.Accession_date 2011-02-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Resonances assignments for L4C: residues 292-444 of Prp24' _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 Stephen Martin-Tumasz . A. . 17491 2 Samuel Butcher . E. . 17491 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17491 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Prp24 . 17491 RRM . 17491 Splicing . 17491 'U6 snRNP' . 17491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 17491 '15N chemical shifts' 126 17491 '1H chemical shifts' 472 17491 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-02-25 update BMRB 'update entry citation' 17491 1 . . 2011-06-22 2011-02-25 original author 'original release' 17491 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16230 'Prp24-2 + RNA' 17491 BMRB 16243 Prp24-23 17491 BMRB 16244 'Prp24-23 + RNA' 17491 BMRB 16246 Prp24-2 17491 BMRB 17490 Prp24-L4W 17491 BMRB 7070 Prp24-12 17491 PDB 2ghp Prp24-123 17491 PDB 2go9 Prp24-12 17491 PDB 2kh9 'Prp24-2 + RNA' 17491 PDB 2l9w Prp24-L4W 17491 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17491 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21653550 _Citation.Full_citation . _Citation.Title 'A novel occluded RNA recognition motif in Prp24 unwinds the U6 RNA internal stem loop.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 39 _Citation.Journal_issue 17 _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 7837 _Citation.Page_last 7847 _Citation.Year 2011 _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 Stephen Martin-Tumasz . . . 17491 1 2 Ashley Richie . C. . 17491 1 3 Lawrence Clos . J. 2nd 17491 1 4 David Brow . A. . 17491 1 5 Samuel Butcher . E. . 17491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17491 _Assembly.ID 1 _Assembly.Name L4C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 L4C 1 $L4C A . yes native no no . . . 17491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L4C _Entity.Sf_category entity _Entity.Sf_framecode L4C _Entity.Entry_ID 17491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L4C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFLERNEVKRLLASRNSKEL ETLICLFPLSDKVSPSLICQ FLQEEIHINEKDIRKILLVS DFNGAIIIFRDSKFAAKMLM ILNGSQFQGKVIRSGTINDM KRYYNNQQNHSMKHVKPSCI NMMEKGPNLQVKKKIPDKQE QMSNDDFRKMFLGELEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 292-444 of Prp24, plus non-natural N-terminal Methionine, C-terminal Leucine, Glutamate and 6x his tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12568.729 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17490 . L4W . . . . . 70.37 117 97.37 97.37 8.51e-72 . . . . 17491 1 2 no PDB 2L9W . "Solution Structure Of The C-Terminal Domain Of Prp24" . . . . . 70.37 117 97.37 97.37 8.51e-72 . . . . 17491 1 3 no PDB 4N0T . "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" . . . . . 69.75 374 97.35 97.35 4.99e-68 . . . . 17491 1 4 no EMBL CAA89251 . "U6sNRPp [Saccharomyces cerevisiae]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 5 no EMBL CAY82100 . "Prp24p [Saccharomyces cerevisiae EC1118]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 6 no GB AAU09775 . "YMR268C [Saccharomyces cerevisiae]" . . . . . 94.44 444 100.00 100.00 3.97e-103 . . . . 17491 1 7 no GB AHY76723 . "Prp24p [Saccharomyces cerevisiae YJM993]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 8 no GB AJP40962 . "Prp24p [Saccharomyces cerevisiae YJM1078]" . . . . . 94.44 444 100.00 100.00 3.80e-103 . . . . 17491 1 9 no GB AJS62134 . "Prp24p [Saccharomyces cerevisiae YJM189]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 10 no GB AJS62569 . "Prp24p [Saccharomyces cerevisiae YJM193]" . . . . . 94.44 444 99.35 100.00 1.73e-102 . . . . 17491 1 11 no REF NP_013995 . "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 12 no SP P49960 . "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 1 13 no TPG DAA10168 . "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 94.44 444 100.00 100.00 4.14e-103 . . . . 17491 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 1 291 MET . 17491 1 2 292 PHE . 17491 1 3 293 LEU . 17491 1 4 294 GLU . 17491 1 5 295 ARG . 17491 1 6 296 ASN . 17491 1 7 297 GLU . 17491 1 8 298 VAL . 17491 1 9 299 LYS . 17491 1 10 300 ARG . 17491 1 11 301 LEU . 17491 1 12 302 LEU . 17491 1 13 303 ALA . 17491 1 14 304 SER . 17491 1 15 305 ARG . 17491 1 16 306 ASN . 17491 1 17 307 SER . 17491 1 18 308 LYS . 17491 1 19 309 GLU . 17491 1 20 310 LEU . 17491 1 21 311 GLU . 17491 1 22 312 THR . 17491 1 23 313 LEU . 17491 1 24 314 ILE . 17491 1 25 315 CYS . 17491 1 26 316 LEU . 17491 1 27 317 PHE . 17491 1 28 318 PRO . 17491 1 29 319 LEU . 17491 1 30 320 SER . 17491 1 31 321 ASP . 17491 1 32 322 LYS . 17491 1 33 323 VAL . 17491 1 34 324 SER . 17491 1 35 325 PRO . 17491 1 36 326 SER . 17491 1 37 327 LEU . 17491 1 38 328 ILE . 17491 1 39 329 CYS . 17491 1 40 330 GLN . 17491 1 41 331 PHE . 17491 1 42 332 LEU . 17491 1 43 333 GLN . 17491 1 44 334 GLU . 17491 1 45 335 GLU . 17491 1 46 336 ILE . 17491 1 47 337 HIS . 17491 1 48 338 ILE . 17491 1 49 339 ASN . 17491 1 50 340 GLU . 17491 1 51 341 LYS . 17491 1 52 342 ASP . 17491 1 53 343 ILE . 17491 1 54 344 ARG . 17491 1 55 345 LYS . 17491 1 56 346 ILE . 17491 1 57 347 LEU . 17491 1 58 348 LEU . 17491 1 59 349 VAL . 17491 1 60 350 SER . 17491 1 61 351 ASP . 17491 1 62 352 PHE . 17491 1 63 353 ASN . 17491 1 64 354 GLY . 17491 1 65 355 ALA . 17491 1 66 356 ILE . 17491 1 67 357 ILE . 17491 1 68 358 ILE . 17491 1 69 359 PHE . 17491 1 70 360 ARG . 17491 1 71 361 ASP . 17491 1 72 362 SER . 17491 1 73 363 LYS . 17491 1 74 364 PHE . 17491 1 75 365 ALA . 17491 1 76 366 ALA . 17491 1 77 367 LYS . 17491 1 78 368 MET . 17491 1 79 369 LEU . 17491 1 80 370 MET . 17491 1 81 371 ILE . 17491 1 82 372 LEU . 17491 1 83 373 ASN . 17491 1 84 374 GLY . 17491 1 85 375 SER . 17491 1 86 376 GLN . 17491 1 87 377 PHE . 17491 1 88 378 GLN . 17491 1 89 379 GLY . 17491 1 90 380 LYS . 17491 1 91 381 VAL . 17491 1 92 382 ILE . 17491 1 93 383 ARG . 17491 1 94 384 SER . 17491 1 95 385 GLY . 17491 1 96 386 THR . 17491 1 97 387 ILE . 17491 1 98 388 ASN . 17491 1 99 389 ASP . 17491 1 100 390 MET . 17491 1 101 391 LYS . 17491 1 102 392 ARG . 17491 1 103 393 TYR . 17491 1 104 394 TYR . 17491 1 105 395 ASN . 17491 1 106 396 ASN . 17491 1 107 397 GLN . 17491 1 108 398 GLN . 17491 1 109 399 ASN . 17491 1 110 400 HIS . 17491 1 111 401 SER . 17491 1 112 402 MET . 17491 1 113 403 LYS . 17491 1 114 404 HIS . 17491 1 115 405 VAL . 17491 1 116 406 LYS . 17491 1 117 407 PRO . 17491 1 118 408 SER . 17491 1 119 409 CYS . 17491 1 120 410 ILE . 17491 1 121 411 ASN . 17491 1 122 412 MET . 17491 1 123 413 MET . 17491 1 124 414 GLU . 17491 1 125 415 LYS . 17491 1 126 416 GLY . 17491 1 127 417 PRO . 17491 1 128 418 ASN . 17491 1 129 419 LEU . 17491 1 130 420 GLN . 17491 1 131 421 VAL . 17491 1 132 422 LYS . 17491 1 133 423 LYS . 17491 1 134 424 LYS . 17491 1 135 425 ILE . 17491 1 136 426 PRO . 17491 1 137 427 ASP . 17491 1 138 428 LYS . 17491 1 139 429 GLN . 17491 1 140 430 GLU . 17491 1 141 431 GLN . 17491 1 142 432 MET . 17491 1 143 433 SER . 17491 1 144 434 ASN . 17491 1 145 435 ASP . 17491 1 146 436 ASP . 17491 1 147 437 PHE . 17491 1 148 438 ARG . 17491 1 149 439 LYS . 17491 1 150 440 MET . 17491 1 151 441 PHE . 17491 1 152 442 LEU . 17491 1 153 443 GLY . 17491 1 154 444 GLU . 17491 1 155 445 LEU . 17491 1 156 446 GLU . 17491 1 157 447 HIS . 17491 1 158 448 HIS . 17491 1 159 449 HIS . 17491 1 160 450 HIS . 17491 1 161 451 HIS . 17491 1 162 452 HIS . 17491 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17491 1 . PHE 2 2 17491 1 . LEU 3 3 17491 1 . GLU 4 4 17491 1 . ARG 5 5 17491 1 . ASN 6 6 17491 1 . GLU 7 7 17491 1 . VAL 8 8 17491 1 . LYS 9 9 17491 1 . ARG 10 10 17491 1 . LEU 11 11 17491 1 . LEU 12 12 17491 1 . ALA 13 13 17491 1 . SER 14 14 17491 1 . ARG 15 15 17491 1 . ASN 16 16 17491 1 . SER 17 17 17491 1 . LYS 18 18 17491 1 . GLU 19 19 17491 1 . LEU 20 20 17491 1 . GLU 21 21 17491 1 . THR 22 22 17491 1 . LEU 23 23 17491 1 . ILE 24 24 17491 1 . CYS 25 25 17491 1 . LEU 26 26 17491 1 . PHE 27 27 17491 1 . PRO 28 28 17491 1 . LEU 29 29 17491 1 . SER 30 30 17491 1 . ASP 31 31 17491 1 . LYS 32 32 17491 1 . VAL 33 33 17491 1 . SER 34 34 17491 1 . PRO 35 35 17491 1 . SER 36 36 17491 1 . LEU 37 37 17491 1 . ILE 38 38 17491 1 . CYS 39 39 17491 1 . GLN 40 40 17491 1 . PHE 41 41 17491 1 . LEU 42 42 17491 1 . GLN 43 43 17491 1 . GLU 44 44 17491 1 . GLU 45 45 17491 1 . ILE 46 46 17491 1 . HIS 47 47 17491 1 . ILE 48 48 17491 1 . ASN 49 49 17491 1 . GLU 50 50 17491 1 . LYS 51 51 17491 1 . ASP 52 52 17491 1 . ILE 53 53 17491 1 . ARG 54 54 17491 1 . LYS 55 55 17491 1 . ILE 56 56 17491 1 . LEU 57 57 17491 1 . LEU 58 58 17491 1 . VAL 59 59 17491 1 . SER 60 60 17491 1 . ASP 61 61 17491 1 . PHE 62 62 17491 1 . ASN 63 63 17491 1 . GLY 64 64 17491 1 . ALA 65 65 17491 1 . ILE 66 66 17491 1 . ILE 67 67 17491 1 . ILE 68 68 17491 1 . PHE 69 69 17491 1 . ARG 70 70 17491 1 . ASP 71 71 17491 1 . SER 72 72 17491 1 . LYS 73 73 17491 1 . PHE 74 74 17491 1 . ALA 75 75 17491 1 . ALA 76 76 17491 1 . LYS 77 77 17491 1 . MET 78 78 17491 1 . LEU 79 79 17491 1 . MET 80 80 17491 1 . ILE 81 81 17491 1 . LEU 82 82 17491 1 . ASN 83 83 17491 1 . GLY 84 84 17491 1 . SER 85 85 17491 1 . GLN 86 86 17491 1 . PHE 87 87 17491 1 . GLN 88 88 17491 1 . GLY 89 89 17491 1 . LYS 90 90 17491 1 . VAL 91 91 17491 1 . ILE 92 92 17491 1 . ARG 93 93 17491 1 . SER 94 94 17491 1 . GLY 95 95 17491 1 . THR 96 96 17491 1 . ILE 97 97 17491 1 . ASN 98 98 17491 1 . ASP 99 99 17491 1 . MET 100 100 17491 1 . LYS 101 101 17491 1 . ARG 102 102 17491 1 . TYR 103 103 17491 1 . TYR 104 104 17491 1 . ASN 105 105 17491 1 . ASN 106 106 17491 1 . GLN 107 107 17491 1 . GLN 108 108 17491 1 . ASN 109 109 17491 1 . HIS 110 110 17491 1 . SER 111 111 17491 1 . MET 112 112 17491 1 . LYS 113 113 17491 1 . HIS 114 114 17491 1 . VAL 115 115 17491 1 . LYS 116 116 17491 1 . PRO 117 117 17491 1 . SER 118 118 17491 1 . CYS 119 119 17491 1 . ILE 120 120 17491 1 . ASN 121 121 17491 1 . MET 122 122 17491 1 . MET 123 123 17491 1 . GLU 124 124 17491 1 . LYS 125 125 17491 1 . GLY 126 126 17491 1 . PRO 127 127 17491 1 . ASN 128 128 17491 1 . LEU 129 129 17491 1 . GLN 130 130 17491 1 . VAL 131 131 17491 1 . LYS 132 132 17491 1 . LYS 133 133 17491 1 . LYS 134 134 17491 1 . ILE 135 135 17491 1 . PRO 136 136 17491 1 . ASP 137 137 17491 1 . LYS 138 138 17491 1 . GLN 139 139 17491 1 . GLU 140 140 17491 1 . GLN 141 141 17491 1 . MET 142 142 17491 1 . SER 143 143 17491 1 . ASN 144 144 17491 1 . ASP 145 145 17491 1 . ASP 146 146 17491 1 . PHE 147 147 17491 1 . ARG 148 148 17491 1 . LYS 149 149 17491 1 . MET 150 150 17491 1 . PHE 151 151 17491 1 . LEU 152 152 17491 1 . GLY 153 153 17491 1 . GLU 154 154 17491 1 . LEU 155 155 17491 1 . GLU 156 156 17491 1 . HIS 157 157 17491 1 . HIS 158 158 17491 1 . HIS 159 159 17491 1 . HIS 160 160 17491 1 . HIS 161 161 17491 1 . HIS 162 162 17491 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 17491 _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 $L4C . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Prp24 . . . . 17491 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 17491 _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 $L4C . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET-21b . . . . . . 17491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_H2O _Sample.Entry_ID 17491 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L4C '[U-99% 13C; U-99% 15N]' . . 1 $L4C . . 600 . . uM . . . . 17491 1 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17491 1 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17491 1 4 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 17491 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17491 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17491 1 stop_ save_ save_Reference _Sample.Sf_category sample _Sample.Sf_framecode Reference _Sample.Entry_ID 17491 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L4C '[U-99% 13C; U-99% 15N]' . . 1 $L4C . . 600 . . uM . . . . 17491 2 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17491 2 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17491 2 4 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 17491 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17491 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17491 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17491 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 17491 1 pressure 1 . atm 17491 1 temperature 273 . K 17491 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17491 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17491 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17491 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17491 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17491 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17491 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17491 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17491 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17491 3 'data analysis' 17491 3 'peak picking' 17491 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17491 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17491 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17491 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17491 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17491 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 900 . . . 17491 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 17491 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 3 '3D HNCACB' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $Reference isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17491 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17491 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17491 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17491 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17491 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17491 1 2 '3D CBCA(CO)NH' . . . 17491 1 3 '3D HNCACB' . . . 17491 1 4 '3D HNCO' . . . 17491 1 5 '3D HBHA(CO)NH' . . . 17491 1 6 '2D 1H-13C HSQC aliphatic' . . . 17491 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 7 7 GLU HA H 1 4.283 0.016 . 1 . . . . 297 E HA . 17491 1 2 . 1 1 7 7 GLU HB2 H 1 2.026 0.001 . 2 . . . . 297 E HB . 17491 1 3 . 1 1 7 7 GLU HB3 H 1 2.026 0.001 . 2 . . . . 297 E HB . 17491 1 4 . 1 1 7 7 GLU C C 13 178.134 0.4 . 1 . . . . 297 E CO . 17491 1 5 . 1 1 7 7 GLU CA C 13 58.958 0.038 . 1 . . . . 297 E CA . 17491 1 6 . 1 1 7 7 GLU CB C 13 29.765 0.035 . 1 . . . . 297 E CB . 17491 1 7 . 1 1 8 8 VAL H H 1 8.1 0.004 . 1 . . . . 298 V HN . 17491 1 8 . 1 1 8 8 VAL HA H 1 3.387 0.011 . 1 . . . . 298 V HA . 17491 1 9 . 1 1 8 8 VAL HB H 1 1.823 0.011 . 1 . . . . 298 V HB . 17491 1 10 . 1 1 8 8 VAL C C 13 177.074 0.4 . 1 . . . . 298 V CO . 17491 1 11 . 1 1 8 8 VAL CA C 13 67.697 0.041 . 1 . . . . 298 V CA . 17491 1 12 . 1 1 8 8 VAL CB C 13 31.985 0.03 . 1 . . . . 298 V CB . 17491 1 13 . 1 1 8 8 VAL N N 15 119.009 0.063 . 1 . . . . 298 V N . 17491 1 14 . 1 1 9 9 LYS H H 1 7.768 0.005 . 1 . . . . 299 K HN . 17491 1 15 . 1 1 9 9 LYS HA H 1 3.801 0.006 . 1 . . . . 299 K HA . 17491 1 16 . 1 1 9 9 LYS HB2 H 1 1.842 0.016 . 2 . . . . 299 K HB . 17491 1 17 . 1 1 9 9 LYS HB3 H 1 1.842 0.016 . 2 . . . . 299 K HB . 17491 1 18 . 1 1 9 9 LYS C C 13 177.885 0.4 . 1 . . . . 299 K CO . 17491 1 19 . 1 1 9 9 LYS CA C 13 59.944 0.021 . 1 . . . . 299 K CA . 17491 1 20 . 1 1 9 9 LYS CB C 13 32.265 0.031 . 1 . . . . 299 K CB . 17491 1 21 . 1 1 9 9 LYS N N 15 117.725 0.063 . 1 . . . . 299 K N . 17491 1 22 . 1 1 10 10 ARG H H 1 7.814 0.005 . 1 . . . . 300 R HN . 17491 1 23 . 1 1 10 10 ARG HA H 1 3.968 0.023 . 1 . . . . 300 R HA . 17491 1 24 . 1 1 10 10 ARG HB2 H 1 1.881 0.001 . 2 . . . . 300 R HB2 . 17491 1 25 . 1 1 10 10 ARG HB3 H 1 1.845 0.007 . 2 . . . . 300 R HB3 . 17491 1 26 . 1 1 10 10 ARG C C 13 179.718 0.4 . 1 . . . . 300 R CO . 17491 1 27 . 1 1 10 10 ARG CA C 13 59.473 0.076 . 1 . . . . 300 R CA . 17491 1 28 . 1 1 10 10 ARG CB C 13 30.264 0.062 . 1 . . . . 300 R CB . 17491 1 29 . 1 1 10 10 ARG N N 15 119.162 0.092 . 1 . . . . 300 R N . 17491 1 30 . 1 1 11 11 LEU H H 1 8.171 0.008 . 1 . . . . 301 L HN . 17491 1 31 . 1 1 11 11 LEU HA H 1 3.901 0.019 . 1 . . . . 301 L HA . 17491 1 32 . 1 1 11 11 LEU HB2 H 1 1.805 0.009 . 2 . . . . 301 L HB2 . 17491 1 33 . 1 1 11 11 LEU HB3 H 1 1.104 0.016 . 2 . . . . 301 L HB3 . 17491 1 34 . 1 1 11 11 LEU C C 13 178.968 0.4 . 1 . . . . 301 L CO . 17491 1 35 . 1 1 11 11 LEU CA C 13 58.065 0.118 . 1 . . . . 301 L CA . 17491 1 36 . 1 1 11 11 LEU CB C 13 42.059 0.036 . 1 . . . . 301 L CB . 17491 1 37 . 1 1 11 11 LEU N N 15 120.956 0.084 . 1 . . . . 301 L N . 17491 1 38 . 1 1 12 12 LEU H H 1 8.332 0.005 . 1 . . . . 302 L HN . 17491 1 39 . 1 1 12 12 LEU HA H 1 3.88 0.014 . 1 . . . . 302 L HA . 17491 1 40 . 1 1 12 12 LEU HB2 H 1 1.829 0.015 . 2 . . . . 302 L HB2 . 17491 1 41 . 1 1 12 12 LEU HB3 H 1 1.41 0.012 . 2 . . . . 302 L HB3 . 17491 1 42 . 1 1 12 12 LEU C C 13 177.346 0.4 . 1 . . . . 302 L CO . 17491 1 43 . 1 1 12 12 LEU CA C 13 57.531 0.11 . 1 . . . . 302 L CA . 17491 1 44 . 1 1 12 12 LEU CB C 13 41.606 0.106 . 1 . . . . 302 L CB . 17491 1 45 . 1 1 12 12 LEU N N 15 116.333 0.045 . 1 . . . . 302 L N . 17491 1 46 . 1 1 13 13 ALA H H 1 7.102 0.008 . 1 . . . . 303 A HN . 17491 1 47 . 1 1 13 13 ALA HA H 1 4.476 0.009 . 1 . . . . 303 A HA . 17491 1 48 . 1 1 13 13 ALA HB1 H 1 1.392 0.01 . 1 . . . . 303 A HB . 17491 1 49 . 1 1 13 13 ALA HB2 H 1 1.392 0.01 . 1 . . . . 303 A HB . 17491 1 50 . 1 1 13 13 ALA HB3 H 1 1.392 0.01 . 1 . . . . 303 A HB . 17491 1 51 . 1 1 13 13 ALA C C 13 177.577 0.4 . 1 . . . . 303 A CO . 17491 1 52 . 1 1 13 13 ALA CA C 13 51.359 0.045 . 1 . . . . 303 A CA . 17491 1 53 . 1 1 13 13 ALA CB C 13 19.828 0.083 . 1 . . . . 303 A CB . 17491 1 54 . 1 1 13 13 ALA N N 15 117.986 0.048 . 1 . . . . 303 A N . 17491 1 55 . 1 1 14 14 SER H H 1 7.25 0.007 . 1 . . . . 304 S HN . 17491 1 56 . 1 1 14 14 SER HA H 1 4.052 0.035 . 1 . . . . 304 S HA . 17491 1 57 . 1 1 14 14 SER HB2 H 1 3.889 0.01 . 2 . . . . 304 S HB . 17491 1 58 . 1 1 14 14 SER HB3 H 1 3.889 0.01 . 2 . . . . 304 S HB . 17491 1 59 . 1 1 14 14 SER CA C 13 59.466 0.4 . 1 . . . . 304 S CA . 17491 1 60 . 1 1 14 14 SER CB C 13 63.831 0.095 . 1 . . . . 304 S CB . 17491 1 61 . 1 1 14 14 SER N N 15 114.829 0.047 . 1 . . . . 304 S N . 17491 1 62 . 1 1 18 18 LYS HA H 1 4.136 0.027 . 1 . . . . 308 K HA . 17491 1 63 . 1 1 18 18 LYS HB2 H 1 1.856 0.029 . 2 . . . . 308 K HB . 17491 1 64 . 1 1 18 18 LYS HB3 H 1 1.856 0.029 . 2 . . . . 308 K HB . 17491 1 65 . 1 1 18 18 LYS C C 13 179.039 0.4 . 1 . . . . 308 K CO . 17491 1 66 . 1 1 18 18 LYS CA C 13 58.635 0.006 . 1 . . . . 308 K CA . 17491 1 67 . 1 1 18 18 LYS CB C 13 31.703 0.031 . 1 . . . . 308 K CB . 17491 1 68 . 1 1 19 19 GLU H H 1 7.496 0.007 . 1 . . . . 309 E HN . 17491 1 69 . 1 1 19 19 GLU HA H 1 4.207 0.007 . 1 . . . . 309 E HA . 17491 1 70 . 1 1 19 19 GLU HB2 H 1 2.033 0.01 . 2 . . . . 309 E HB . 17491 1 71 . 1 1 19 19 GLU HB3 H 1 2.033 0.01 . 2 . . . . 309 E HB . 17491 1 72 . 1 1 19 19 GLU CA C 13 58.016 0.022 . 1 . . . . 309 E CA . 17491 1 73 . 1 1 19 19 GLU CB C 13 30.179 0.4 . 1 . . . . 309 E CB . 17491 1 74 . 1 1 19 19 GLU N N 15 118.309 0.028 . 1 . . . . 309 E N . 17491 1 75 . 1 1 20 20 LEU H H 1 7.734 0.04 . 1 . . . . 310 L HN . 17491 1 76 . 1 1 20 20 LEU HA H 1 4.158 0.018 . 1 . . . . 310 L HA . 17491 1 77 . 1 1 20 20 LEU HB2 H 1 1.799 0.008 . 2 . . . . 310 L HB2 . 17491 1 78 . 1 1 20 20 LEU HB3 H 1 1.603 0.007 . 2 . . . . 310 L HB3 . 17491 1 79 . 1 1 20 20 LEU C C 13 179.121 0.4 . 1 . . . . 310 L CO . 17491 1 80 . 1 1 20 20 LEU CA C 13 56.634 0.088 . 1 . . . . 310 L CA . 17491 1 81 . 1 1 20 20 LEU CB C 13 41.722 0.062 . 1 . . . . 310 L CB . 17491 1 82 . 1 1 20 20 LEU N N 15 118.218 0.4 . 1 . . . . 310 L N . 17491 1 83 . 1 1 21 21 GLU H H 1 7.73 0.007 . 1 . . . . 311 E HN . 17491 1 84 . 1 1 21 21 GLU HA H 1 4.33 0.009 . 1 . . . . 311 E HA . 17491 1 85 . 1 1 21 21 GLU HB2 H 1 2.213 0.008 . 2 . . . . 311 E HB2 . 17491 1 86 . 1 1 21 21 GLU HB3 H 1 2.164 0.009 . 2 . . . . 311 E HB3 . 17491 1 87 . 1 1 21 21 GLU C C 13 176.979 0.4 . 1 . . . . 311 E CO . 17491 1 88 . 1 1 21 21 GLU CA C 13 58.292 0.041 . 1 . . . . 311 E CA . 17491 1 89 . 1 1 21 21 GLU CB C 13 29.7 0.062 . 1 . . . . 311 E CB . 17491 1 90 . 1 1 21 21 GLU N N 15 116.138 0.05 . 1 . . . . 311 E N . 17491 1 91 . 1 1 22 22 THR H H 1 7.436 0.006 . 1 . . . . 312 T HN . 17491 1 92 . 1 1 22 22 THR HA H 1 4.176 0.01 . 1 . . . . 312 T HA . 17491 1 93 . 1 1 22 22 THR HB H 1 4.616 0.012 . 1 . . . . 312 T HB . 17491 1 94 . 1 1 22 22 THR C C 13 171.989 0.4 . 1 . . . . 312 T CO . 17491 1 95 . 1 1 22 22 THR CA C 13 61.549 0.091 . 1 . . . . 312 T CA . 17491 1 96 . 1 1 22 22 THR CB C 13 69.5 0.057 . 1 . . . . 312 T CB . 17491 1 97 . 1 1 22 22 THR N N 15 106.131 0.06 . 1 . . . . 312 T N . 17491 1 98 . 1 1 23 23 LEU H H 1 7.525 0.008 . 1 . . . . 313 L HN . 17491 1 99 . 1 1 23 23 LEU HA H 1 5.858 0.021 . 1 . . . . 313 L HA . 17491 1 100 . 1 1 23 23 LEU HB2 H 1 1.685 0.012 . 2 . . . . 313 L HB2 . 17491 1 101 . 1 1 23 23 LEU HB3 H 1 1.544 0.015 . 2 . . . . 313 L HB3 . 17491 1 102 . 1 1 23 23 LEU C C 13 175.603 0.4 . 1 . . . . 313 L CO . 17491 1 103 . 1 1 23 23 LEU CA C 13 52.795 0.077 . 1 . . . . 313 L CA . 17491 1 104 . 1 1 23 23 LEU CB C 13 46.792 0.082 . 1 . . . . 313 L CB . 17491 1 105 . 1 1 23 23 LEU N N 15 120.21 0.064 . 1 . . . . 313 L N . 17491 1 106 . 1 1 24 24 ILE H H 1 8.898 0.006 . 1 . . . . 314 I HN . 17491 1 107 . 1 1 24 24 ILE HA H 1 4.707 0.013 . 1 . . . . 314 I HA . 17491 1 108 . 1 1 24 24 ILE HB H 1 2.005 0.013 . 1 . . . . 314 I HB . 17491 1 109 . 1 1 24 24 ILE C C 13 173.567 0.4 . 1 . . . . 314 I CO . 17491 1 110 . 1 1 24 24 ILE CA C 13 59.365 0.073 . 1 . . . . 314 I CA . 17491 1 111 . 1 1 24 24 ILE CB C 13 42.268 0.059 . 1 . . . . 314 I CB . 17491 1 112 . 1 1 24 24 ILE N N 15 114.004 0.11 . 1 . . . . 314 I N . 17491 1 113 . 1 1 25 25 CYS H H 1 9.013 0.005 . 1 . . . . 315 C HN . 17491 1 114 . 1 1 25 25 CYS HA H 1 5.912 0.03 . 1 . . . . 315 C HA . 17491 1 115 . 1 1 25 25 CYS HB2 H 1 3.111 0.015 . 2 . . . . 315 C HB2 . 17491 1 116 . 1 1 25 25 CYS HB3 H 1 2.703 0.011 . 2 . . . . 315 C HB3 . 17491 1 117 . 1 1 25 25 CYS C C 13 174.176 0.4 . 1 . . . . 315 C CO . 17491 1 118 . 1 1 25 25 CYS CA C 13 57.207 0.125 . 1 . . . . 315 C CA . 17491 1 119 . 1 1 25 25 CYS CB C 13 31.937 0.087 . 1 . . . . 315 C CB . 17491 1 120 . 1 1 25 25 CYS N N 15 117.739 0.093 . 1 . . . . 315 C N . 17491 1 121 . 1 1 26 26 LEU H H 1 8.76 0.012 . 1 . . . . 316 L HN . 17491 1 122 . 1 1 26 26 LEU HA H 1 5.358 0.009 . 1 . . . . 316 L HA . 17491 1 123 . 1 1 26 26 LEU HB2 H 1 1.247 0.012 . 2 . . . . 316 L HB2 . 17491 1 124 . 1 1 26 26 LEU HB3 H 1 1.423 0.015 . 2 . . . . 316 L HB3 . 17491 1 125 . 1 1 26 26 LEU C C 13 176.019 0.4 . 1 . . . . 316 L CO . 17491 1 126 . 1 1 26 26 LEU CA C 13 53.142 0.048 . 1 . . . . 316 L CA . 17491 1 127 . 1 1 26 26 LEU CB C 13 45.893 0.117 . 1 . . . . 316 L CB . 17491 1 128 . 1 1 26 26 LEU N N 15 119.997 0.091 . 1 . . . . 316 L N . 17491 1 129 . 1 1 27 27 PHE H H 1 7.814 0.006 . 1 . . . . 317 F HN . 17491 1 130 . 1 1 27 27 PHE HA H 1 4.844 0.013 . 1 . . . . 317 F HA . 17491 1 131 . 1 1 27 27 PHE HB2 H 1 3.325 0.023 . 2 . . . . 317 F HB2 . 17491 1 132 . 1 1 27 27 PHE HB3 H 1 2.974 0.005 . 2 . . . . 317 F HB3 . 17491 1 133 . 1 1 27 27 PHE CA C 13 55.564 0.071 . 1 . . . . 317 F CA . 17491 1 134 . 1 1 27 27 PHE CB C 13 37.797 0.4 . 1 . . . . 317 F CB . 17491 1 135 . 1 1 27 27 PHE N N 15 116.125 0.071 . 1 . . . . 317 F N . 17491 1 136 . 1 1 28 28 PRO HA H 1 5.315 0.013 . 1 . . . . 318 P HA . 17491 1 137 . 1 1 28 28 PRO HB2 H 1 2.32 0.009 . 2 . . . . 318 P HB2 . 17491 1 138 . 1 1 28 28 PRO HB3 H 1 2.083 0.038 . 2 . . . . 318 P HB3 . 17491 1 139 . 1 1 28 28 PRO C C 13 175.147 0.4 . 1 . . . . 318 P CO . 17491 1 140 . 1 1 28 28 PRO CA C 13 61.625 0.118 . 1 . . . . 318 P CA . 17491 1 141 . 1 1 28 28 PRO CB C 13 34.422 0.205 . 1 . . . . 318 P CB . 17491 1 142 . 1 1 29 29 LEU H H 1 8.351 0.007 . 1 . . . . 319 L HN . 17491 1 143 . 1 1 29 29 LEU HA H 1 4.659 0.009 . 1 . . . . 319 L HA . 17491 1 144 . 1 1 29 29 LEU HB2 H 1 1.398 0.036 . 2 . . . . 319 L HB . 17491 1 145 . 1 1 29 29 LEU HB3 H 1 1.398 0.036 . 2 . . . . 319 L HB . 17491 1 146 . 1 1 29 29 LEU C C 13 176.802 0.4 . 1 . . . . 319 L CO . 17491 1 147 . 1 1 29 29 LEU CA C 13 52.96 0.091 . 1 . . . . 319 L CA . 17491 1 148 . 1 1 29 29 LEU CB C 13 45.055 0.077 . 1 . . . . 319 L CB . 17491 1 149 . 1 1 29 29 LEU N N 15 120.195 0.122 . 1 . . . . 319 L N . 17491 1 150 . 1 1 30 30 SER H H 1 8.648 0.011 . 1 . . . . 320 S HN . 17491 1 151 . 1 1 30 30 SER HA H 1 4.48 0.009 . 1 . . . . 320 S HA . 17491 1 152 . 1 1 30 30 SER HB2 H 1 4.128 0.012 . 2 . . . . 320 S HB2 . 17491 1 153 . 1 1 30 30 SER HB3 H 1 3.834 0.01 . 2 . . . . 320 S HB3 . 17491 1 154 . 1 1 30 30 SER C C 13 174.687 0.4 . 1 . . . . 320 S CO . 17491 1 155 . 1 1 30 30 SER CA C 13 57.834 0.065 . 1 . . . . 320 S CA . 17491 1 156 . 1 1 30 30 SER CB C 13 64.306 0.174 . 1 . . . . 320 S CB . 17491 1 157 . 1 1 30 30 SER N N 15 117.26 0.076 . 1 . . . . 320 S N . 17491 1 158 . 1 1 31 31 ASP H H 1 8.585 0.009 . 1 . . . . 321 D HN . 17491 1 159 . 1 1 31 31 ASP HA H 1 4.467 0.01 . 1 . . . . 321 D HA . 17491 1 160 . 1 1 31 31 ASP HB2 H 1 2.875 0.02 . 2 . . . . 321 D HB2 . 17491 1 161 . 1 1 31 31 ASP HB3 H 1 2.743 0.016 . 2 . . . . 321 D HB3 . 17491 1 162 . 1 1 31 31 ASP C C 13 176.805 0.4 . 1 . . . . 321 D CO . 17491 1 163 . 1 1 31 31 ASP CA C 13 55.424 0.062 . 1 . . . . 321 D CA . 17491 1 164 . 1 1 31 31 ASP CB C 13 40.143 0.145 . 1 . . . . 321 D CB . 17491 1 165 . 1 1 31 31 ASP N N 15 121.485 0.058 . 1 . . . . 321 D N . 17491 1 166 . 1 1 32 32 LYS H H 1 8.04 0.005 . 1 . . . . 322 K HN . 17491 1 167 . 1 1 32 32 LYS HA H 1 4.323 0.016 . 1 . . . . 322 K HA . 17491 1 168 . 1 1 32 32 LYS HB2 H 1 1.965 0.022 . 2 . . . . 322 K HB2 . 17491 1 169 . 1 1 32 32 LYS HB3 H 1 1.634 0.017 . 2 . . . . 322 K HB3 . 17491 1 170 . 1 1 32 32 LYS C C 13 176.777 0.4 . 1 . . . . 322 K CO . 17491 1 171 . 1 1 32 32 LYS CA C 13 55.828 0.222 . 1 . . . . 322 K CA . 17491 1 172 . 1 1 32 32 LYS CB C 13 31.971 0.086 . 1 . . . . 322 K CB . 17491 1 173 . 1 1 32 32 LYS N N 15 118.007 0.052 . 1 . . . . 322 K N . 17491 1 174 . 1 1 33 33 VAL H H 1 7.325 0.004 . 1 . . . . 323 V HN . 17491 1 175 . 1 1 33 33 VAL HA H 1 3.914 0.016 . 1 . . . . 323 V HA . 17491 1 176 . 1 1 33 33 VAL HB H 1 2.161 0.014 . 1 . . . . 323 V HB . 17491 1 177 . 1 1 33 33 VAL C C 13 173.295 0.4 . 1 . . . . 323 V CO . 17491 1 178 . 1 1 33 33 VAL CA C 13 63.289 0.154 . 1 . . . . 323 V CA . 17491 1 179 . 1 1 33 33 VAL CB C 13 32.397 0.072 . 1 . . . . 323 V CB . 17491 1 180 . 1 1 33 33 VAL N N 15 119.555 0.053 . 1 . . . . 323 V N . 17491 1 181 . 1 1 34 34 SER H H 1 7.08 0.006 . 1 . . . . 324 S HN . 17491 1 182 . 1 1 34 34 SER HA H 1 5.094 0.014 . 1 . . . . 324 S HA . 17491 1 183 . 1 1 34 34 SER HB2 H 1 4.327 0.009 . 2 . . . . 324 S HB2 . 17491 1 184 . 1 1 34 34 SER HB3 H 1 3.897 0.015 . 2 . . . . 324 S HB3 . 17491 1 185 . 1 1 34 34 SER CA C 13 55.139 0.085 . 1 . . . . 324 S CA . 17491 1 186 . 1 1 34 34 SER CB C 13 64.669 0.071 . 1 . . . . 324 S CB . 17491 1 187 . 1 1 34 34 SER N N 15 118.915 0.063 . 1 . . . . 324 S N . 17491 1 188 . 1 1 36 36 SER C C 13 176.927 0.4 . 1 . . . . 326 S CO . 17491 1 189 . 1 1 37 37 LEU H H 1 7.737 0.007 . 1 . . . . 327 L HN . 17491 1 190 . 1 1 37 37 LEU HA H 1 4.305 0.015 . 1 . . . . 327 L HA . 17491 1 191 . 1 1 37 37 LEU HB2 H 1 1.941 0.012 . 2 . . . . 327 L HB2 . 17491 1 192 . 1 1 37 37 LEU HB3 H 1 1.765 0.009 . 2 . . . . 327 L HB3 . 17491 1 193 . 1 1 37 37 LEU C C 13 180.279 0.4 . 1 . . . . 327 L CO . 17491 1 194 . 1 1 37 37 LEU CA C 13 57.963 0.039 . 1 . . . . 327 L CA . 17491 1 195 . 1 1 37 37 LEU CB C 13 42.691 0.116 . 1 . . . . 327 L CB . 17491 1 196 . 1 1 37 37 LEU N N 15 123.885 0.051 . 1 . . . . 327 L N . 17491 1 197 . 1 1 38 38 ILE H H 1 7.622 0.006 . 1 . . . . 328 I HN . 17491 1 198 . 1 1 38 38 ILE HA H 1 3.626 0.021 . 1 . . . . 328 I HA . 17491 1 199 . 1 1 38 38 ILE HB H 1 1.938 0.011 . 1 . . . . 328 I HB . 17491 1 200 . 1 1 38 38 ILE C C 13 176.818 0.4 . 1 . . . . 328 I CO . 17491 1 201 . 1 1 38 38 ILE CA C 13 65.197 0.132 . 1 . . . . 328 I CA . 17491 1 202 . 1 1 38 38 ILE CB C 13 37.444 0.067 . 1 . . . . 328 I CB . 17491 1 203 . 1 1 38 38 ILE N N 15 119.405 0.05 . 1 . . . . 328 I N . 17491 1 204 . 1 1 39 39 CYS H H 1 8.619 0.007 . 1 . . . . 329 C HN . 17491 1 205 . 1 1 39 39 CYS HA H 1 3.735 0.014 . 1 . . . . 329 C HA . 17491 1 206 . 1 1 39 39 CYS HB2 H 1 3.146 0.014 . 2 . . . . 329 C HB2 . 17491 1 207 . 1 1 39 39 CYS HB3 H 1 2.922 0.016 . 2 . . . . 329 C HB3 . 17491 1 208 . 1 1 39 39 CYS C C 13 176.177 0.4 . 1 . . . . 329 C CO . 17491 1 209 . 1 1 39 39 CYS CA C 13 63.623 0.047 . 1 . . . . 329 C CA . 17491 1 210 . 1 1 39 39 CYS CB C 13 26.378 0.068 . 1 . . . . 329 C CB . 17491 1 211 . 1 1 39 39 CYS N N 15 120.399 0.075 . 1 . . . . 329 C N . 17491 1 212 . 1 1 40 40 GLN H H 1 8.192 0.006 . 1 . . . . 330 Q HN . 17491 1 213 . 1 1 40 40 GLN HA H 1 4.074 0.019 . 1 . . . . 330 Q HA . 17491 1 214 . 1 1 40 40 GLN HB2 H 1 2.211 0.013 . 2 . . . . 330 Q HB . 17491 1 215 . 1 1 40 40 GLN HB3 H 1 2.211 0.013 . 2 . . . . 330 Q HB . 17491 1 216 . 1 1 40 40 GLN C C 13 177.381 0.4 . 1 . . . . 330 Q CO . 17491 1 217 . 1 1 40 40 GLN CA C 13 59.495 0.045 . 1 . . . . 330 Q CA . 17491 1 218 . 1 1 40 40 GLN CB C 13 28.466 0.079 . 1 . . . . 330 Q CB . 17491 1 219 . 1 1 40 40 GLN N N 15 118.23 0.058 . 1 . . . . 330 Q N . 17491 1 220 . 1 1 41 41 PHE H H 1 7.784 0.006 . 1 . . . . 331 F HN . 17491 1 221 . 1 1 41 41 PHE HA H 1 4.634 0.013 . 1 . . . . 331 F HA . 17491 1 222 . 1 1 41 41 PHE HB2 H 1 3.584 0.013 . 2 . . . . 331 F HB2 . 17491 1 223 . 1 1 41 41 PHE HB3 H 1 3.217 0.024 . 2 . . . . 331 F HB3 . 17491 1 224 . 1 1 41 41 PHE C C 13 177.43 0.4 . 1 . . . . 331 F CO . 17491 1 225 . 1 1 41 41 PHE CA C 13 60.273 0.061 . 1 . . . . 331 F CA . 17491 1 226 . 1 1 41 41 PHE CB C 13 39.596 0.061 . 1 . . . . 331 F CB . 17491 1 227 . 1 1 41 41 PHE N N 15 121.346 0.055 . 1 . . . . 331 F N . 17491 1 228 . 1 1 42 42 LEU H H 1 8.415 0.008 . 1 . . . . 332 L HN . 17491 1 229 . 1 1 42 42 LEU HA H 1 3.495 0.009 . 1 . . . . 332 L HA . 17491 1 230 . 1 1 42 42 LEU HB2 H 1 2.053 0.031 . 2 . . . . 332 L HB . 17491 1 231 . 1 1 42 42 LEU HB3 H 1 2.053 0.031 . 2 . . . . 332 L HB . 17491 1 232 . 1 1 42 42 LEU C C 13 178.504 0.4 . 1 . . . . 332 L CO . 17491 1 233 . 1 1 42 42 LEU CA C 13 57.431 0.202 . 1 . . . . 332 L CA . 17491 1 234 . 1 1 42 42 LEU CB C 13 40.854 0.081 . 1 . . . . 332 L CB . 17491 1 235 . 1 1 42 42 LEU N N 15 118.973 0.058 . 1 . . . . 332 L N . 17491 1 236 . 1 1 43 43 GLN H H 1 8.214 0.005 . 1 . . . . 333 Q HN . 17491 1 237 . 1 1 43 43 GLN HA H 1 4.577 0.017 . 1 . . . . 333 Q HA . 17491 1 238 . 1 1 43 43 GLN HB2 H 1 2.195 0.008 . 2 . . . . 333 Q HB2 . 17491 1 239 . 1 1 43 43 GLN HB3 H 1 2.15 0.004 . 2 . . . . 333 Q HB3 . 17491 1 240 . 1 1 43 43 GLN C C 13 178.526 0.4 . 1 . . . . 333 Q CO . 17491 1 241 . 1 1 43 43 GLN CA C 13 58.941 0.077 . 1 . . . . 333 Q CA . 17491 1 242 . 1 1 43 43 GLN CB C 13 30.943 0.078 . 1 . . . . 333 Q CB . 17491 1 243 . 1 1 43 43 GLN N N 15 116.119 0.041 . 1 . . . . 333 Q N . 17491 1 244 . 1 1 44 44 GLU H H 1 8.897 0.011 . 1 . . . . 334 E HN . 17491 1 245 . 1 1 44 44 GLU HA H 1 4.109 0.008 . 1 . . . . 334 E HA . 17491 1 246 . 1 1 44 44 GLU HB2 H 1 2.097 0.036 . 2 . . . . 334 E HB . 17491 1 247 . 1 1 44 44 GLU HB3 H 1 2.097 0.036 . 2 . . . . 334 E HB . 17491 1 248 . 1 1 44 44 GLU C C 13 177.385 0.4 . 1 . . . . 334 E CO . 17491 1 249 . 1 1 44 44 GLU CA C 13 58.85 0.103 . 1 . . . . 334 E CA . 17491 1 250 . 1 1 44 44 GLU CB C 13 30.496 0.234 . 1 . . . . 334 E CB . 17491 1 251 . 1 1 44 44 GLU N N 15 116.934 0.045 . 1 . . . . 334 E N . 17491 1 252 . 1 1 45 45 GLU H H 1 8.048 0.006 . 1 . . . . 335 E HN . 17491 1 253 . 1 1 45 45 GLU HA H 1 4.353 0.009 . 1 . . . . 335 E HA . 17491 1 254 . 1 1 45 45 GLU HB2 H 1 1.866 0.011 . 2 . . . . 335 E HB . 17491 1 255 . 1 1 45 45 GLU HB3 H 1 1.866 0.011 . 2 . . . . 335 E HB . 17491 1 256 . 1 1 45 45 GLU C C 13 176.794 0.4 . 1 . . . . 335 E CO . 17491 1 257 . 1 1 45 45 GLU CA C 13 57.107 0.048 . 1 . . . . 335 E CA . 17491 1 258 . 1 1 45 45 GLU CB C 13 29.708 0.103 . 1 . . . . 335 E CB . 17491 1 259 . 1 1 45 45 GLU N N 15 114.856 0.047 . 1 . . . . 335 E N . 17491 1 260 . 1 1 46 46 ILE H H 1 6.72 0.007 . 1 . . . . 336 I HN . 17491 1 261 . 1 1 46 46 ILE HA H 1 3.903 0.011 . 1 . . . . 336 I HA . 17491 1 262 . 1 1 46 46 ILE HB H 1 2.423 0.016 . 1 . . . . 336 I HB . 17491 1 263 . 1 1 46 46 ILE C C 13 175.706 0.4 . 1 . . . . 336 I CO . 17491 1 264 . 1 1 46 46 ILE CA C 13 58.125 0.084 . 1 . . . . 336 I CA . 17491 1 265 . 1 1 46 46 ILE CB C 13 35.047 0.446 . 1 . . . . 336 I CB . 17491 1 266 . 1 1 46 46 ILE N N 15 115.609 0.093 . 1 . . . . 336 I N . 17491 1 267 . 1 1 47 47 HIS H H 1 6.617 0.007 . 1 . . . . 337 H HN . 17491 1 268 . 1 1 47 47 HIS HA H 1 4.493 0.006 . 1 . . . . 337 H HA . 17491 1 269 . 1 1 47 47 HIS HB2 H 1 3.5 0.013 . 2 . . . . 337 H HB2 . 17491 1 270 . 1 1 47 47 HIS HB3 H 1 3.258 0.013 . 2 . . . . 337 H HB3 . 17491 1 271 . 1 1 47 47 HIS C C 13 175.089 0.4 . 1 . . . . 337 H CO . 17491 1 272 . 1 1 47 47 HIS CA C 13 56.361 0.349 . 1 . . . . 337 H CA . 17491 1 273 . 1 1 47 47 HIS CB C 13 25.562 0.135 . 1 . . . . 337 H CB . 17491 1 274 . 1 1 47 47 HIS N N 15 111.929 0.097 . 1 . . . . 337 H N . 17491 1 275 . 1 1 48 48 ILE H H 1 7.957 0.01 . 1 . . . . 338 I HN . 17491 1 276 . 1 1 48 48 ILE HA H 1 4.419 0.017 . 1 . . . . 338 I HA . 17491 1 277 . 1 1 48 48 ILE HB H 1 1.898 0.024 . 1 . . . . 338 I HB . 17491 1 278 . 1 1 48 48 ILE C C 13 175.053 0.4 . 1 . . . . 338 I CO . 17491 1 279 . 1 1 48 48 ILE CA C 13 60.763 0.054 . 1 . . . . 338 I CA . 17491 1 280 . 1 1 48 48 ILE CB C 13 38.914 0.097 . 1 . . . . 338 I CB . 17491 1 281 . 1 1 48 48 ILE N N 15 118.184 0.091 . 1 . . . . 338 I N . 17491 1 282 . 1 1 49 49 ASN H H 1 9.213 0.005 . 1 . . . . 339 N HN . 17491 1 283 . 1 1 49 49 ASN HA H 1 4.687 0.01 . 1 . . . . 339 N HA . 17491 1 284 . 1 1 49 49 ASN HB2 H 1 2.728 0.013 . 2 . . . . 339 N HB . 17491 1 285 . 1 1 49 49 ASN HB3 H 1 2.728 0.013 . 2 . . . . 339 N HB . 17491 1 286 . 1 1 49 49 ASN C C 13 176.421 0.4 . 1 . . . . 339 N CO . 17491 1 287 . 1 1 49 49 ASN CA C 13 53.504 0.262 . 1 . . . . 339 N CA . 17491 1 288 . 1 1 49 49 ASN CB C 13 40.685 0.054 . 1 . . . . 339 N CB . 17491 1 289 . 1 1 49 49 ASN N N 15 124.045 0.066 . 1 . . . . 339 N N . 17491 1 290 . 1 1 50 50 GLU H H 1 8.956 0.005 . 1 . . . . 340 E HN . 17491 1 291 . 1 1 50 50 GLU HA H 1 3.789 0.013 . 1 . . . . 340 E HA . 17491 1 292 . 1 1 50 50 GLU HB2 H 1 2.023 0.015 . 2 . . . . 340 E HB2 . 17491 1 293 . 1 1 50 50 GLU HB3 H 1 1.928 0.004 . 2 . . . . 340 E HB3 . 17491 1 294 . 1 1 50 50 GLU C C 13 177.966 0.4 . 1 . . . . 340 E CO . 17491 1 295 . 1 1 50 50 GLU CA C 13 59.868 0.026 . 1 . . . . 340 E CA . 17491 1 296 . 1 1 50 50 GLU CB C 13 29.21 0.08 . 1 . . . . 340 E CB . 17491 1 297 . 1 1 50 50 GLU N N 15 125.53 0.051 . 1 . . . . 340 E N . 17491 1 298 . 1 1 51 51 LYS H H 1 8.421 0.005 . 1 . . . . 341 K HN . 17491 1 299 . 1 1 51 51 LYS HA H 1 4.103 0.01 . 1 . . . . 341 K HA . 17491 1 300 . 1 1 51 51 LYS HB2 H 1 1.749 0.022 . 2 . . . . 341 K HB . 17491 1 301 . 1 1 51 51 LYS HB3 H 1 1.749 0.022 . 2 . . . . 341 K HB . 17491 1 302 . 1 1 51 51 LYS C C 13 177.337 0.4 . 1 . . . . 341 K CO . 17491 1 303 . 1 1 51 51 LYS CA C 13 57.834 0.293 . 1 . . . . 341 K CA . 17491 1 304 . 1 1 51 51 LYS CB C 13 31.681 0.066 . 1 . . . . 341 K CB . 17491 1 305 . 1 1 51 51 LYS N N 15 116.049 0.039 . 1 . . . . 341 K N . 17491 1 306 . 1 1 52 52 ASP H H 1 7.906 0.005 . 1 . . . . 342 D HN . 17491 1 307 . 1 1 52 52 ASP HA H 1 4.448 0.014 . 1 . . . . 342 D HA . 17491 1 308 . 1 1 52 52 ASP HB2 H 1 2.614 0.02 . 2 . . . . 342 D HB2 . 17491 1 309 . 1 1 52 52 ASP HB3 H 1 2.166 0.015 . 2 . . . . 342 D HB3 . 17491 1 310 . 1 1 52 52 ASP C C 13 175.431 0.4 . 1 . . . . 342 D CO . 17491 1 311 . 1 1 52 52 ASP CA C 13 55.98 0.116 . 1 . . . . 342 D CA . 17491 1 312 . 1 1 52 52 ASP CB C 13 41.929 0.121 . 1 . . . . 342 D CB . 17491 1 313 . 1 1 52 52 ASP N N 15 117.618 0.072 . 1 . . . . 342 D N . 17491 1 314 . 1 1 53 53 ILE H H 1 7.466 0.005 . 1 . . . . 343 I HN . 17491 1 315 . 1 1 53 53 ILE HA H 1 3.88 0.026 . 1 . . . . 343 I HA . 17491 1 316 . 1 1 53 53 ILE HB H 1 1.851 0.015 . 1 . . . . 343 I HB . 17491 1 317 . 1 1 53 53 ILE C C 13 174.984 0.4 . 1 . . . . 343 I CO . 17491 1 318 . 1 1 53 53 ILE CA C 13 61.267 0.068 . 1 . . . . 343 I CA . 17491 1 319 . 1 1 53 53 ILE CB C 13 39.894 0.143 . 1 . . . . 343 I CB . 17491 1 320 . 1 1 53 53 ILE N N 15 120.526 0.079 . 1 . . . . 343 I N . 17491 1 321 . 1 1 54 54 ARG H H 1 9.053 0.005 . 1 . . . . 344 R HN . 17491 1 322 . 1 1 54 54 ARG HA H 1 4.291 0.016 . 1 . . . . 344 R HA . 17491 1 323 . 1 1 54 54 ARG HB2 H 1 1.619 0.01 . 2 . . . . 344 R HB2 . 17491 1 324 . 1 1 54 54 ARG HB3 H 1 1.338 0.012 . 2 . . . . 344 R HB3 . 17491 1 325 . 1 1 54 54 ARG C C 13 176.667 0.4 . 1 . . . . 344 R CO . 17491 1 326 . 1 1 54 54 ARG CA C 13 57.764 0.23 . 1 . . . . 344 R CA . 17491 1 327 . 1 1 54 54 ARG CB C 13 30.854 0.072 . 1 . . . . 344 R CB . 17491 1 328 . 1 1 54 54 ARG N N 15 125.27 0.169 . 1 . . . . 344 R N . 17491 1 329 . 1 1 55 55 LYS H H 1 7.558 0.004 . 1 . . . . 345 K HN . 17491 1 330 . 1 1 55 55 LYS HA H 1 4.411 0.013 . 1 . . . . 345 K HA . 17491 1 331 . 1 1 55 55 LYS HB2 H 1 1.634 0.009 . 2 . . . . 345 K HB . 17491 1 332 . 1 1 55 55 LYS HB3 H 1 1.634 0.009 . 2 . . . . 345 K HB . 17491 1 333 . 1 1 55 55 LYS C C 13 173.009 0.4 . 1 . . . . 345 K CO . 17491 1 334 . 1 1 55 55 LYS CA C 13 55.999 0.026 . 1 . . . . 345 K CA . 17491 1 335 . 1 1 55 55 LYS CB C 13 36.616 0.059 . 1 . . . . 345 K CB . 17491 1 336 . 1 1 55 55 LYS N N 15 116.304 0.062 . 1 . . . . 345 K N . 17491 1 337 . 1 1 56 56 ILE H H 1 8.224 0.004 . 1 . . . . 346 I HN . 17491 1 338 . 1 1 56 56 ILE HA H 1 4.726 0.012 . 1 . . . . 346 I HA . 17491 1 339 . 1 1 56 56 ILE HB H 1 1.59 0.01 . 1 . . . . 346 I HB . 17491 1 340 . 1 1 56 56 ILE C C 13 174.188 0.4 . 1 . . . . 346 I CO . 17491 1 341 . 1 1 56 56 ILE CA C 13 60.828 0.071 . 1 . . . . 346 I CA . 17491 1 342 . 1 1 56 56 ILE CB C 13 40.806 0.076 . 1 . . . . 346 I CB . 17491 1 343 . 1 1 56 56 ILE N N 15 122.803 0.06 . 1 . . . . 346 I N . 17491 1 344 . 1 1 57 57 LEU H H 1 9.26 0.005 . 1 . . . . 347 L HN . 17491 1 345 . 1 1 57 57 LEU HA H 1 4.768 0.018 . 1 . . . . 347 L HA . 17491 1 346 . 1 1 57 57 LEU HB2 H 1 1.364 0.025 . 2 . . . . 347 L HB . 17491 1 347 . 1 1 57 57 LEU HB3 H 1 1.364 0.025 . 2 . . . . 347 L HB . 17491 1 348 . 1 1 57 57 LEU C C 13 175.832 0.4 . 1 . . . . 347 L CO . 17491 1 349 . 1 1 57 57 LEU CA C 13 52.769 0.051 . 1 . . . . 347 L CA . 17491 1 350 . 1 1 57 57 LEU CB C 13 45.494 0.032 . 1 . . . . 347 L CB . 17491 1 351 . 1 1 57 57 LEU N N 15 126.057 0.08 . 1 . . . . 347 L N . 17491 1 352 . 1 1 58 58 LEU H H 1 8.925 0.005 . 1 . . . . 348 L HN . 17491 1 353 . 1 1 58 58 LEU HA H 1 4.356 0.028 . 1 . . . . 348 L HA . 17491 1 354 . 1 1 58 58 LEU HB2 H 1 1.801 0.018 . 2 . . . . 348 L HB2 . 17491 1 355 . 1 1 58 58 LEU HB3 H 1 1.594 0.014 . 2 . . . . 348 L HB3 . 17491 1 356 . 1 1 58 58 LEU C C 13 176.47 0.4 . 1 . . . . 348 L CO . 17491 1 357 . 1 1 58 58 LEU CA C 13 55.309 0.092 . 1 . . . . 348 L CA . 17491 1 358 . 1 1 58 58 LEU CB C 13 41.548 0.097 . 1 . . . . 348 L CB . 17491 1 359 . 1 1 58 58 LEU N N 15 122.858 0.064 . 1 . . . . 348 L N . 17491 1 360 . 1 1 59 59 VAL H H 1 8.627 0.008 . 1 . . . . 349 V HN . 17491 1 361 . 1 1 59 59 VAL HA H 1 4.334 0.01 . 1 . . . . 349 V HA . 17491 1 362 . 1 1 59 59 VAL CA C 13 59.371 0.373 . 1 . . . . 349 V CA . 17491 1 363 . 1 1 59 59 VAL CB C 13 31.063 0.4 . 1 . . . . 349 V CB . 17491 1 364 . 1 1 59 59 VAL N N 15 123.304 0.054 . 1 . . . . 349 V N . 17491 1 365 . 1 1 60 60 SER H H 1 8.748 0.04 . 1 . . . . 350 S HN . 17491 1 366 . 1 1 60 60 SER HA H 1 3.935 0.012 . 1 . . . . 350 S HA . 17491 1 367 . 1 1 60 60 SER HB2 H 1 4.29 0.009 . 2 . . . . 350 S HB . 17491 1 368 . 1 1 60 60 SER HB3 H 1 4.29 0.009 . 2 . . . . 350 S HB . 17491 1 369 . 1 1 60 60 SER C C 13 177.522 0.4 . 1 . . . . 350 S CO . 17491 1 370 . 1 1 60 60 SER CA C 13 62.452 0.139 . 1 . . . . 350 S CA . 17491 1 371 . 1 1 60 60 SER N N 15 124.129 0.4 . 1 . . . . 350 S N . 17491 1 372 . 1 1 61 61 ASP H H 1 9.01 0.004 . 1 . . . . 351 D HN . 17491 1 373 . 1 1 61 61 ASP HA H 1 3.974 0.017 . 1 . . . . 351 D HA . 17491 1 374 . 1 1 61 61 ASP HB2 H 1 1.831 0.02 . 2 . . . . 351 D HB . 17491 1 375 . 1 1 61 61 ASP HB3 H 1 1.831 0.02 . 2 . . . . 351 D HB . 17491 1 376 . 1 1 61 61 ASP C C 13 174.751 0.4 . 1 . . . . 351 D CO . 17491 1 377 . 1 1 61 61 ASP CA C 13 56.245 0.049 . 1 . . . . 351 D CA . 17491 1 378 . 1 1 61 61 ASP CB C 13 40.186 0.088 . 1 . . . . 351 D CB . 17491 1 379 . 1 1 61 61 ASP N N 15 119.24 0.081 . 1 . . . . 351 D N . 17491 1 380 . 1 1 62 62 PHE H H 1 6.694 0.011 . 1 . . . . 352 F HN . 17491 1 381 . 1 1 62 62 PHE HA H 1 4.044 0.029 . 1 . . . . 352 F HA . 17491 1 382 . 1 1 62 62 PHE HB2 H 1 2.135 0.015 . 2 . . . . 352 F HB . 17491 1 383 . 1 1 62 62 PHE HB3 H 1 2.135 0.015 . 2 . . . . 352 F HB . 17491 1 384 . 1 1 62 62 PHE C C 13 173.318 0.4 . 1 . . . . 352 F CO . 17491 1 385 . 1 1 62 62 PHE CA C 13 56.189 0.116 . 1 . . . . 352 F CA . 17491 1 386 . 1 1 62 62 PHE CB C 13 39.825 0.13 . 1 . . . . 352 F CB . 17491 1 387 . 1 1 62 62 PHE N N 15 110.17 0.068 . 1 . . . . 352 F N . 17491 1 388 . 1 1 63 63 ASN H H 1 7.692 0.006 . 1 . . . . 353 N HN . 17491 1 389 . 1 1 63 63 ASN HA H 1 4.669 0.011 . 1 . . . . 353 N HA . 17491 1 390 . 1 1 63 63 ASN HB2 H 1 3.331 0.015 . 2 . . . . 353 N HB2 . 17491 1 391 . 1 1 63 63 ASN HB3 H 1 3.264 0.008 . 2 . . . . 353 N HB3 . 17491 1 392 . 1 1 63 63 ASN C C 13 174.381 0.4 . 1 . . . . 353 N CO . 17491 1 393 . 1 1 63 63 ASN CA C 13 54.229 0.075 . 1 . . . . 353 N CA . 17491 1 394 . 1 1 63 63 ASN CB C 13 37.951 0.227 . 1 . . . . 353 N CB . 17491 1 395 . 1 1 63 63 ASN N N 15 114.991 0.091 . 1 . . . . 353 N N . 17491 1 396 . 1 1 64 64 GLY H H 1 7.709 0.005 . 1 . . . . 354 G HN . 17491 1 397 . 1 1 64 64 GLY HA2 H 1 5.343 0.013 . 2 . . . . 354 G HA2 . 17491 1 398 . 1 1 64 64 GLY HA3 H 1 4.054 0.009 . 2 . . . . 354 G HA3 . 17491 1 399 . 1 1 64 64 GLY C C 13 173.091 0.4 . 1 . . . . 354 G CO . 17491 1 400 . 1 1 64 64 GLY CA C 13 45.519 0.223 . 1 . . . . 354 G CA . 17491 1 401 . 1 1 64 64 GLY N N 15 102.119 0.068 . 1 . . . . 354 G N . 17491 1 402 . 1 1 65 65 ALA H H 1 8.765 0.008 . 1 . . . . 355 A HN . 17491 1 403 . 1 1 65 65 ALA HA H 1 5.047 0.012 . 1 . . . . 355 A HA . 17491 1 404 . 1 1 65 65 ALA HB1 H 1 1.075 0.018 . 1 . . . . 355 A HB . 17491 1 405 . 1 1 65 65 ALA HB2 H 1 1.075 0.018 . 1 . . . . 355 A HB . 17491 1 406 . 1 1 65 65 ALA HB3 H 1 1.075 0.018 . 1 . . . . 355 A HB . 17491 1 407 . 1 1 65 65 ALA C C 13 174.756 0.4 . 1 . . . . 355 A CO . 17491 1 408 . 1 1 65 65 ALA CA C 13 51.453 0.057 . 1 . . . . 355 A CA . 17491 1 409 . 1 1 65 65 ALA CB C 13 22.973 0.053 . 1 . . . . 355 A CB . 17491 1 410 . 1 1 65 65 ALA N N 15 120.2 0.097 . 1 . . . . 355 A N . 17491 1 411 . 1 1 66 66 ILE H H 1 9.374 0.006 . 1 . . . . 356 I HN . 17491 1 412 . 1 1 66 66 ILE HA H 1 4.718 0.006 . 1 . . . . 356 I HA . 17491 1 413 . 1 1 66 66 ILE HB H 1 1.495 0.016 . 1 . . . . 356 I HB . 17491 1 414 . 1 1 66 66 ILE C C 13 174.147 0.4 . 1 . . . . 356 I CO . 17491 1 415 . 1 1 66 66 ILE CA C 13 60.523 0.129 . 1 . . . . 356 I CA . 17491 1 416 . 1 1 66 66 ILE CB C 13 42.073 0.172 . 1 . . . . 356 I CB . 17491 1 417 . 1 1 66 66 ILE N N 15 121.192 0.053 . 1 . . . . 356 I N . 17491 1 418 . 1 1 67 67 ILE H H 1 9.278 0.006 . 1 . . . . 357 I HN . 17491 1 419 . 1 1 67 67 ILE HA H 1 4.425 0.014 . 1 . . . . 357 I HA . 17491 1 420 . 1 1 67 67 ILE HB H 1 1.571 0.015 . 1 . . . . 357 I HB . 17491 1 421 . 1 1 67 67 ILE C C 13 173.956 0.4 . 1 . . . . 357 I CO . 17491 1 422 . 1 1 67 67 ILE CA C 13 59.829 0.115 . 1 . . . . 357 I CA . 17491 1 423 . 1 1 67 67 ILE CB C 13 38.886 0.109 . 1 . . . . 357 I CB . 17491 1 424 . 1 1 67 67 ILE N N 15 127.195 0.055 . 1 . . . . 357 I N . 17491 1 425 . 1 1 68 68 ILE H H 1 8.678 0.016 . 1 . . . . 358 I HN . 17491 1 426 . 1 1 68 68 ILE HA H 1 4.38 0.051 . 1 . . . . 358 I HA . 17491 1 427 . 1 1 68 68 ILE HB H 1 1.599 0.017 . 1 . . . . 358 I HB . 17491 1 428 . 1 1 68 68 ILE C C 13 176.126 0.4 . 1 . . . . 358 I CO . 17491 1 429 . 1 1 68 68 ILE CA C 13 61.035 0.196 . 1 . . . . 358 I CA . 17491 1 430 . 1 1 68 68 ILE CB C 13 38.507 0.213 . 1 . . . . 358 I CB . 17491 1 431 . 1 1 68 68 ILE N N 15 124.549 0.106 . 1 . . . . 358 I N . 17491 1 432 . 1 1 69 69 PHE H H 1 9.071 0.009 . 1 . . . . 359 F HN . 17491 1 433 . 1 1 69 69 PHE HA H 1 5.122 0.011 . 1 . . . . 359 F HA . 17491 1 434 . 1 1 69 69 PHE HB2 H 1 3.706 0.012 . 2 . . . . 359 F HB2 . 17491 1 435 . 1 1 69 69 PHE HB3 H 1 3.058 0.015 . 2 . . . . 359 F HB3 . 17491 1 436 . 1 1 69 69 PHE C C 13 175.433 0.4 . 1 . . . . 359 F CO . 17491 1 437 . 1 1 69 69 PHE CA C 13 58.399 0.132 . 1 . . . . 359 F CA . 17491 1 438 . 1 1 69 69 PHE CB C 13 41.647 0.05 . 1 . . . . 359 F CB . 17491 1 439 . 1 1 69 69 PHE N N 15 126.057 0.067 . 1 . . . . 359 F N . 17491 1 440 . 1 1 70 70 ARG H H 1 8.259 0.005 . 1 . . . . 360 R HN . 17491 1 441 . 1 1 70 70 ARG HA H 1 4.092 0.021 . 1 . . . . 360 R HA . 17491 1 442 . 1 1 70 70 ARG HB2 H 1 1.838 0.015 . 2 . . . . 360 R HB . 17491 1 443 . 1 1 70 70 ARG HB3 H 1 1.838 0.015 . 2 . . . . 360 R HB . 17491 1 444 . 1 1 70 70 ARG C C 13 175.084 0.4 . 1 . . . . 360 R CO . 17491 1 445 . 1 1 70 70 ARG CA C 13 58.736 0.186 . 1 . . . . 360 R CA . 17491 1 446 . 1 1 70 70 ARG CB C 13 30.551 0.213 . 1 . . . . 360 R CB . 17491 1 447 . 1 1 70 70 ARG N N 15 115.956 0.066 . 1 . . . . 360 R N . 17491 1 448 . 1 1 71 71 ASP H H 1 7.654 0.005 . 1 . . . . 361 D HN . 17491 1 449 . 1 1 71 71 ASP HA H 1 4.884 0.016 . 1 . . . . 361 D HA . 17491 1 450 . 1 1 71 71 ASP HB2 H 1 2.869 0.011 . 2 . . . . 361 D HB . 17491 1 451 . 1 1 71 71 ASP HB3 H 1 2.869 0.011 . 2 . . . . 361 D HB . 17491 1 452 . 1 1 71 71 ASP CA C 13 53.313 0.167 . 1 . . . . 361 D CA . 17491 1 453 . 1 1 71 71 ASP CB C 13 44.241 0.074 . 1 . . . . 361 D CB . 17491 1 454 . 1 1 71 71 ASP N N 15 113.785 0.065 . 1 . . . . 361 D N . 17491 1 455 . 1 1 72 72 SER HA H 1 4.31 0.001 . 1 . . . . 362 S HA . 17491 1 456 . 1 1 72 72 SER HB2 H 1 3.948 0.013 . 2 . . . . 362 S HB2 . 17491 1 457 . 1 1 72 72 SER HB3 H 1 3.758 0.014 . 2 . . . . 362 S HB3 . 17491 1 458 . 1 1 72 72 SER C C 13 176.746 0.4 . 1 . . . . 362 S CO . 17491 1 459 . 1 1 72 72 SER CA C 13 60.768 0.028 . 1 . . . . 362 S CA . 17491 1 460 . 1 1 72 72 SER CB C 13 62.884 0.192 . 1 . . . . 362 S CB . 17491 1 461 . 1 1 73 73 LYS H H 1 8.329 0.009 . 1 . . . . 363 K HN . 17491 1 462 . 1 1 73 73 LYS HA H 1 4.137 0.017 . 1 . . . . 363 K HA . 17491 1 463 . 1 1 73 73 LYS HB2 H 1 1.969 0.01 . 2 . . . . 363 K HB2 . 17491 1 464 . 1 1 73 73 LYS HB3 H 1 1.79 0.013 . 2 . . . . 363 K HB3 . 17491 1 465 . 1 1 73 73 LYS C C 13 176.192 0.4 . 1 . . . . 363 K CO . 17491 1 466 . 1 1 73 73 LYS CA C 13 59.359 0.075 . 1 . . . . 363 K CA . 17491 1 467 . 1 1 73 73 LYS CB C 13 31.573 0.142 . 1 . . . . 363 K CB . 17491 1 468 . 1 1 73 73 LYS N N 15 125.855 0.05 . 1 . . . . 363 K N . 17491 1 469 . 1 1 74 74 PHE H H 1 8.465 0.009 . 1 . . . . 364 F HN . 17491 1 470 . 1 1 74 74 PHE HA H 1 3.955 0.014 . 1 . . . . 364 F HA . 17491 1 471 . 1 1 74 74 PHE HB2 H 1 3.158 0.018 . 2 . . . . 364 F HB2 . 17491 1 472 . 1 1 74 74 PHE HB3 H 1 2.956 0.018 . 2 . . . . 364 F HB3 . 17491 1 473 . 1 1 74 74 PHE C C 13 177.652 0.4 . 1 . . . . 364 F CO . 17491 1 474 . 1 1 74 74 PHE CA C 13 61.433 0.118 . 1 . . . . 364 F CA . 17491 1 475 . 1 1 74 74 PHE CB C 13 39.98 0.103 . 1 . . . . 364 F CB . 17491 1 476 . 1 1 74 74 PHE N N 15 123.099 0.104 . 1 . . . . 364 F N . 17491 1 477 . 1 1 75 75 ALA H H 1 7.806 0.009 . 1 . . . . 365 A HN . 17491 1 478 . 1 1 75 75 ALA HA H 1 3.394 0.024 . 1 . . . . 365 A HA . 17491 1 479 . 1 1 75 75 ALA HB1 H 1 1.517 0.019 . 1 . . . . 365 A HB . 17491 1 480 . 1 1 75 75 ALA HB2 H 1 1.517 0.019 . 1 . . . . 365 A HB . 17491 1 481 . 1 1 75 75 ALA HB3 H 1 1.517 0.019 . 1 . . . . 365 A HB . 17491 1 482 . 1 1 75 75 ALA C C 13 178.115 0.4 . 1 . . . . 365 A CO . 17491 1 483 . 1 1 75 75 ALA CA C 13 55.608 0.049 . 1 . . . . 365 A CA . 17491 1 484 . 1 1 75 75 ALA CB C 13 18.412 0.131 . 1 . . . . 365 A CB . 17491 1 485 . 1 1 75 75 ALA N N 15 119.412 0.101 . 1 . . . . 365 A N . 17491 1 486 . 1 1 76 76 ALA H H 1 7.669 0.005 . 1 . . . . 366 A HN . 17491 1 487 . 1 1 76 76 ALA HA H 1 4.029 0.011 . 1 . . . . 366 A HA . 17491 1 488 . 1 1 76 76 ALA HB1 H 1 1.478 0.008 . 1 . . . . 366 A HB . 17491 1 489 . 1 1 76 76 ALA HB2 H 1 1.478 0.008 . 1 . . . . 366 A HB . 17491 1 490 . 1 1 76 76 ALA HB3 H 1 1.478 0.008 . 1 . . . . 366 A HB . 17491 1 491 . 1 1 76 76 ALA C C 13 180.534 0.4 . 1 . . . . 366 A CO . 17491 1 492 . 1 1 76 76 ALA CA C 13 55.035 0.05 . 1 . . . . 366 A CA . 17491 1 493 . 1 1 76 76 ALA CB C 13 18.039 0.111 . 1 . . . . 366 A CB . 17491 1 494 . 1 1 76 76 ALA N N 15 117.629 0.048 . 1 . . . . 366 A N . 17491 1 495 . 1 1 77 77 LYS H H 1 7.287 0.005 . 1 . . . . 367 K HN . 17491 1 496 . 1 1 77 77 LYS HA H 1 3.987 0.011 . 1 . . . . 367 K HA . 17491 1 497 . 1 1 77 77 LYS HB2 H 1 1.67 0.013 . 2 . . . . 367 K HB . 17491 1 498 . 1 1 77 77 LYS HB3 H 1 1.67 0.013 . 2 . . . . 367 K HB . 17491 1 499 . 1 1 77 77 LYS C C 13 178.953 0.4 . 1 . . . . 367 K CO . 17491 1 500 . 1 1 77 77 LYS CA C 13 58.781 0.061 . 1 . . . . 367 K CA . 17491 1 501 . 1 1 77 77 LYS CB C 13 32.131 0.046 . 1 . . . . 367 K CB . 17491 1 502 . 1 1 77 77 LYS N N 15 118.277 0.052 . 1 . . . . 367 K N . 17491 1 503 . 1 1 78 78 MET H H 1 7.768 0.005 . 1 . . . . 368 M HN . 17491 1 504 . 1 1 78 78 MET CA C 13 55.793 0.4 . 1 . . . . 368 M CA . 17491 1 505 . 1 1 78 78 MET CB C 13 32.382 0.4 . 1 . . . . 368 M CB . 17491 1 506 . 1 1 78 78 MET N N 15 117.585 0.081 . 1 . . . . 368 M N . 17491 1 507 . 1 1 79 79 LEU HA H 1 3.784 0.013 . 1 . . . . 369 L HA . 17491 1 508 . 1 1 79 79 LEU HB2 H 1 1.817 0.01 . 2 . . . . 369 L HB . 17491 1 509 . 1 1 79 79 LEU HB3 H 1 1.817 0.01 . 2 . . . . 369 L HB . 17491 1 510 . 1 1 79 79 LEU C C 13 179.068 0.4 . 1 . . . . 369 L CO . 17491 1 511 . 1 1 79 79 LEU CA C 13 59.451 0.139 . 1 . . . . 369 L CA . 17491 1 512 . 1 1 79 79 LEU CB C 13 42.333 0.066 . 1 . . . . 369 L CB . 17491 1 513 . 1 1 80 80 MET H H 1 7.003 0.007 . 1 . . . . 370 M HN . 17491 1 514 . 1 1 80 80 MET HA H 1 4.266 0.008 . 1 . . . . 370 M HA . 17491 1 515 . 1 1 80 80 MET HB2 H 1 2.175 0.015 . 2 . . . . 370 M HB . 17491 1 516 . 1 1 80 80 MET HB3 H 1 2.175 0.015 . 2 . . . . 370 M HB . 17491 1 517 . 1 1 80 80 MET C C 13 178.218 0.4 . 1 . . . . 370 M CO . 17491 1 518 . 1 1 80 80 MET CA C 13 57.547 0.209 . 1 . . . . 370 M CA . 17491 1 519 . 1 1 80 80 MET CB C 13 32.434 0.25 . 1 . . . . 370 M CB . 17491 1 520 . 1 1 80 80 MET N N 15 114.092 0.068 . 1 . . . . 370 M N . 17491 1 521 . 1 1 81 81 ILE H H 1 7.609 0.008 . 1 . . . . 371 I HN . 17491 1 522 . 1 1 81 81 ILE HA H 1 3.88 0.014 . 1 . . . . 371 I HA . 17491 1 523 . 1 1 81 81 ILE HB H 1 1.786 0.012 . 1 . . . . 371 I HB . 17491 1 524 . 1 1 81 81 ILE C C 13 177.556 0.4 . 1 . . . . 371 I CO . 17491 1 525 . 1 1 81 81 ILE CA C 13 63.566 0.069 . 1 . . . . 371 I CA . 17491 1 526 . 1 1 81 81 ILE CB C 13 38.906 0.066 . 1 . . . . 371 I CB . 17491 1 527 . 1 1 81 81 ILE N N 15 118.052 0.04 . 1 . . . . 371 I N . 17491 1 528 . 1 1 82 82 LEU H H 1 8.149 0.005 . 1 . . . . 372 L HN . 17491 1 529 . 1 1 82 82 LEU HA H 1 4.094 0.009 . 1 . . . . 372 L HA . 17491 1 530 . 1 1 82 82 LEU HB2 H 1 1.758 0.021 . 2 . . . . 372 L HB . 17491 1 531 . 1 1 82 82 LEU HB3 H 1 1.758 0.021 . 2 . . . . 372 L HB . 17491 1 532 . 1 1 82 82 LEU C C 13 178.374 0.4 . 1 . . . . 372 L CO . 17491 1 533 . 1 1 82 82 LEU CA C 13 56.059 0.035 . 1 . . . . 372 L CA . 17491 1 534 . 1 1 82 82 LEU CB C 13 42.364 0.105 . 1 . . . . 372 L CB . 17491 1 535 . 1 1 82 82 LEU N N 15 116.807 0.077 . 1 . . . . 372 L N . 17491 1 536 . 1 1 83 83 ASN H H 1 7.055 0.005 . 1 . . . . 373 N HN . 17491 1 537 . 1 1 83 83 ASN HA H 1 4.335 0.017 . 1 . . . . 373 N HA . 17491 1 538 . 1 1 83 83 ASN HB2 H 1 3.066 0.016 . 2 . . . . 373 N HB2 . 17491 1 539 . 1 1 83 83 ASN HB3 H 1 2.903 0.032 . 2 . . . . 373 N HB3 . 17491 1 540 . 1 1 83 83 ASN C C 13 174.023 0.4 . 1 . . . . 373 N CO . 17491 1 541 . 1 1 83 83 ASN CA C 13 55.719 0.104 . 1 . . . . 373 N CA . 17491 1 542 . 1 1 83 83 ASN CB C 13 38.469 0.066 . 1 . . . . 373 N CB . 17491 1 543 . 1 1 83 83 ASN N N 15 116.97 0.05 . 1 . . . . 373 N N . 17491 1 544 . 1 1 84 84 GLY H H 1 9.038 0.007 . 1 . . . . 374 G HN . 17491 1 545 . 1 1 84 84 GLY HA2 H 1 4.224 0.013 . 2 . . . . 374 G HA2 . 17491 1 546 . 1 1 84 84 GLY HA3 H 1 3.63 0.017 . 2 . . . . 374 G HA3 . 17491 1 547 . 1 1 84 84 GLY C C 13 174.544 0.4 . 1 . . . . 374 G CO . 17491 1 548 . 1 1 84 84 GLY CA C 13 45.909 0.052 . 1 . . . . 374 G CA . 17491 1 549 . 1 1 84 84 GLY N N 15 116.833 0.109 . 1 . . . . 374 G N . 17491 1 550 . 1 1 85 85 SER H H 1 7.658 0.006 . 1 . . . . 375 S HN . 17491 1 551 . 1 1 85 85 SER HA H 1 4.401 0.017 . 1 . . . . 375 S HA . 17491 1 552 . 1 1 85 85 SER HB2 H 1 3.996 0.004 . 2 . . . . 375 S HB . 17491 1 553 . 1 1 85 85 SER HB3 H 1 3.996 0.004 . 2 . . . . 375 S HB . 17491 1 554 . 1 1 85 85 SER C C 13 171.615 0.4 . 1 . . . . 375 S CO . 17491 1 555 . 1 1 85 85 SER CA C 13 59.322 0.15 . 1 . . . . 375 S CA . 17491 1 556 . 1 1 85 85 SER CB C 13 64.365 0.112 . 1 . . . . 375 S CB . 17491 1 557 . 1 1 85 85 SER N N 15 116.648 0.074 . 1 . . . . 375 S N . 17491 1 558 . 1 1 86 86 GLN H H 1 8.38 0.007 . 1 . . . . 376 Q HN . 17491 1 559 . 1 1 86 86 GLN HA H 1 4.878 0.01 . 1 . . . . 376 Q HA . 17491 1 560 . 1 1 86 86 GLN HB2 H 1 1.882 0.011 . 2 . . . . 376 Q HB2 . 17491 1 561 . 1 1 86 86 GLN HB3 H 1 1.827 0.009 . 2 . . . . 376 Q HB3 . 17491 1 562 . 1 1 86 86 GLN CA C 13 54.989 0.109 . 1 . . . . 376 Q CA . 17491 1 563 . 1 1 86 86 GLN CB C 13 30.773 0.104 . 1 . . . . 376 Q CB . 17491 1 564 . 1 1 86 86 GLN N N 15 117.776 0.082 . 1 . . . . 376 Q N . 17491 1 565 . 1 1 87 87 PHE H H 1 8.954 0.007 . 1 . . . . 377 F HN . 17491 1 566 . 1 1 87 87 PHE HA H 1 4.467 0.04 . 1 . . . . 377 F HA . 17491 1 567 . 1 1 87 87 PHE C C 13 174.835 0.4 . 1 . . . . 377 F CO . 17491 1 568 . 1 1 87 87 PHE CA C 13 56.282 0.105 . 1 . . . . 377 F CA . 17491 1 569 . 1 1 87 87 PHE CB C 13 41.653 0.107 . 1 . . . . 377 F CB . 17491 1 570 . 1 1 87 87 PHE N N 15 123.96 0.083 . 1 . . . . 377 F N . 17491 1 571 . 1 1 88 88 GLN H H 1 9.125 0.009 . 1 . . . . 378 Q HN . 17491 1 572 . 1 1 88 88 GLN HA H 1 3.501 0.01 . 1 . . . . 378 Q HA . 17491 1 573 . 1 1 88 88 GLN HB2 H 1 1.805 0.01 . 2 . . . . 378 Q HB2 . 17491 1 574 . 1 1 88 88 GLN HB3 H 1 1.551 0.012 . 2 . . . . 378 Q HB3 . 17491 1 575 . 1 1 88 88 GLN C C 13 176.17 0.4 . 1 . . . . 378 Q CO . 17491 1 576 . 1 1 88 88 GLN CA C 13 56.551 0.073 . 1 . . . . 378 Q CA . 17491 1 577 . 1 1 88 88 GLN CB C 13 26.057 0.255 . 1 . . . . 378 Q CB . 17491 1 578 . 1 1 88 88 GLN N N 15 125.992 0.134 . 1 . . . . 378 Q N . 17491 1 579 . 1 1 89 89 GLY H H 1 8.581 0.009 . 1 . . . . 379 G HN . 17491 1 580 . 1 1 89 89 GLY HA2 H 1 4.002 0.009 . 2 . . . . 379 G HA2 . 17491 1 581 . 1 1 89 89 GLY HA3 H 1 3.544 0.017 . 2 . . . . 379 G HA3 . 17491 1 582 . 1 1 89 89 GLY C C 13 173.621 0.4 . 1 . . . . 379 G CO . 17491 1 583 . 1 1 89 89 GLY CA C 13 45.494 0.045 . 1 . . . . 379 G CA . 17491 1 584 . 1 1 89 89 GLY N N 15 103.261 0.115 . 1 . . . . 379 G N . 17491 1 585 . 1 1 90 90 LYS H H 1 7.442 0.005 . 1 . . . . 380 K HN . 17491 1 586 . 1 1 90 90 LYS HA H 1 4.701 0.015 . 1 . . . . 380 K HA . 17491 1 587 . 1 1 90 90 LYS HB2 H 1 1.847 0.012 . 2 . . . . 380 K HB2 . 17491 1 588 . 1 1 90 90 LYS HB3 H 1 1.677 0.016 . 2 . . . . 380 K HB3 . 17491 1 589 . 1 1 90 90 LYS C C 13 174.525 0.4 . 1 . . . . 380 K CO . 17491 1 590 . 1 1 90 90 LYS CA C 13 54.152 0.031 . 1 . . . . 380 K CA . 17491 1 591 . 1 1 90 90 LYS CB C 13 35.874 0.068 . 1 . . . . 380 K CB . 17491 1 592 . 1 1 90 90 LYS N N 15 119.767 0.054 . 1 . . . . 380 K N . 17491 1 593 . 1 1 91 91 VAL H H 1 8.244 0.006 . 1 . . . . 381 V HN . 17491 1 594 . 1 1 91 91 VAL HA H 1 4.278 0.013 . 1 . . . . 381 V HA . 17491 1 595 . 1 1 91 91 VAL HB H 1 1.879 0.007 . 1 . . . . 381 V HB . 17491 1 596 . 1 1 91 91 VAL C C 13 176.366 0.4 . 1 . . . . 381 V CO . 17491 1 597 . 1 1 91 91 VAL CA C 13 63.217 0.065 . 1 . . . . 381 V CA . 17491 1 598 . 1 1 91 91 VAL CB C 13 32.104 0.089 . 1 . . . . 381 V CB . 17491 1 599 . 1 1 91 91 VAL N N 15 121.398 0.035 . 1 . . . . 381 V N . 17491 1 600 . 1 1 92 92 ILE H H 1 8.771 0.008 . 1 . . . . 382 I HN . 17491 1 601 . 1 1 92 92 ILE HA H 1 4.518 0.016 . 1 . . . . 382 I HA . 17491 1 602 . 1 1 92 92 ILE HB H 1 1.563 0.012 . 1 . . . . 382 I HB . 17491 1 603 . 1 1 92 92 ILE C C 13 173.553 0.4 . 1 . . . . 382 I CO . 17491 1 604 . 1 1 92 92 ILE CA C 13 59.306 0.16 . 1 . . . . 382 I CA . 17491 1 605 . 1 1 92 92 ILE CB C 13 42.007 0.159 . 1 . . . . 382 I CB . 17491 1 606 . 1 1 92 92 ILE N N 15 124.639 0.101 . 1 . . . . 382 I N . 17491 1 607 . 1 1 93 93 ARG H H 1 8.488 0.006 . 1 . . . . 383 R HN . 17491 1 608 . 1 1 93 93 ARG HA H 1 4.596 0.011 . 1 . . . . 383 R HA . 17491 1 609 . 1 1 93 93 ARG HB2 H 1 1.345 0.007 . 2 . . . . 383 R HB . 17491 1 610 . 1 1 93 93 ARG HB3 H 1 1.345 0.007 . 2 . . . . 383 R HB . 17491 1 611 . 1 1 93 93 ARG C C 13 173.929 0.4 . 1 . . . . 383 R CO . 17491 1 612 . 1 1 93 93 ARG CA C 13 53.213 0.028 . 1 . . . . 383 R CA . 17491 1 613 . 1 1 93 93 ARG CB C 13 31.904 0.073 . 1 . . . . 383 R CB . 17491 1 614 . 1 1 93 93 ARG N N 15 119.739 0.085 . 1 . . . . 383 R N . 17491 1 615 . 1 1 94 94 SER H H 1 7.695 0.005 . 1 . . . . 384 S HN . 17491 1 616 . 1 1 94 94 SER HA H 1 5.677 0.011 . 1 . . . . 384 S HA . 17491 1 617 . 1 1 94 94 SER HB2 H 1 3.751 0.012 . 2 . . . . 384 S HB2 . 17491 1 618 . 1 1 94 94 SER HB3 H 1 3.438 0.016 . 2 . . . . 384 S HB3 . 17491 1 619 . 1 1 94 94 SER C C 13 174.794 0.4 . 1 . . . . 384 S CO . 17491 1 620 . 1 1 94 94 SER CA C 13 54.465 0.076 . 1 . . . . 384 S CA . 17491 1 621 . 1 1 94 94 SER CB C 13 67.227 0.056 . 1 . . . . 384 S CB . 17491 1 622 . 1 1 94 94 SER N N 15 110.37 0.056 . 1 . . . . 384 S N . 17491 1 623 . 1 1 95 95 GLY H H 1 8.347 0.005 . 1 . . . . 385 G HN . 17491 1 624 . 1 1 95 95 GLY HA2 H 1 4.351 0.014 . 2 . . . . 385 G HA2 . 17491 1 625 . 1 1 95 95 GLY HA3 H 1 4.516 0.014 . 2 . . . . 385 G HA3 . 17491 1 626 . 1 1 95 95 GLY C C 13 171.669 0.4 . 1 . . . . 385 G CO . 17491 1 627 . 1 1 95 95 GLY CA C 13 45.938 0.055 . 1 . . . . 385 G CA . 17491 1 628 . 1 1 95 95 GLY N N 15 106.73 0.057 . 1 . . . . 385 G N . 17491 1 629 . 1 1 96 96 THR H H 1 9.261 0.006 . 1 . . . . 386 T HN . 17491 1 630 . 1 1 96 96 THR HA H 1 4.279 0.011 . 1 . . . . 386 T HA . 17491 1 631 . 1 1 96 96 THR HB H 1 4.903 0.015 . 1 . . . . 386 T HB . 17491 1 632 . 1 1 96 96 THR C C 13 175.603 0.4 . 1 . . . . 386 T CO . 17491 1 633 . 1 1 96 96 THR CA C 13 60.909 0.087 . 1 . . . . 386 T CA . 17491 1 634 . 1 1 96 96 THR CB C 13 71.756 0.046 . 1 . . . . 386 T CB . 17491 1 635 . 1 1 96 96 THR N N 15 111.47 0.039 . 1 . . . . 386 T N . 17491 1 636 . 1 1 97 97 ILE H H 1 9.35 0.005 . 1 . . . . 387 I HN . 17491 1 637 . 1 1 97 97 ILE HA H 1 3.874 0.008 . 1 . . . . 387 I HA . 17491 1 638 . 1 1 97 97 ILE HB H 1 1.766 0.001 . 1 . . . . 387 I HB . 17491 1 639 . 1 1 97 97 ILE C C 13 178.133 0.4 . 1 . . . . 387 I CO . 17491 1 640 . 1 1 97 97 ILE CA C 13 65.695 0.325 . 1 . . . . 387 I CA . 17491 1 641 . 1 1 97 97 ILE CB C 13 37.672 0.056 . 1 . . . . 387 I CB . 17491 1 642 . 1 1 97 97 ILE N N 15 121.295 0.068 . 1 . . . . 387 I N . 17491 1 643 . 1 1 98 98 ASN H H 1 8.144 0.004 . 1 . . . . 388 N HN . 17491 1 644 . 1 1 98 98 ASN HA H 1 4.222 0.009 . 1 . . . . 388 N HA . 17491 1 645 . 1 1 98 98 ASN HB2 H 1 2.659 0.01 . 2 . . . . 388 N HB2 . 17491 1 646 . 1 1 98 98 ASN HB3 H 1 2.63 0.008 . 2 . . . . 388 N HB3 . 17491 1 647 . 1 1 98 98 ASN C C 13 178.048 0.4 . 1 . . . . 388 N CO . 17491 1 648 . 1 1 98 98 ASN CA C 13 56.252 0.097 . 1 . . . . 388 N CA . 17491 1 649 . 1 1 98 98 ASN CB C 13 37.805 0.046 . 1 . . . . 388 N CB . 17491 1 650 . 1 1 98 98 ASN N N 15 117.353 0.134 . 1 . . . . 388 N N . 17491 1 651 . 1 1 99 99 ASP H H 1 7.848 0.005 . 1 . . . . 389 D HN . 17491 1 652 . 1 1 99 99 ASP HA H 1 4.254 0.011 . 1 . . . . 389 D HA . 17491 1 653 . 1 1 99 99 ASP HB2 H 1 3.068 0.009 . 2 . . . . 389 D HB2 . 17491 1 654 . 1 1 99 99 ASP HB3 H 1 2.793 0.017 . 2 . . . . 389 D HB3 . 17491 1 655 . 1 1 99 99 ASP C C 13 177.852 0.4 . 1 . . . . 389 D CO . 17491 1 656 . 1 1 99 99 ASP CA C 13 57.648 0.074 . 1 . . . . 389 D CA . 17491 1 657 . 1 1 99 99 ASP CB C 13 40.346 0.347 . 1 . . . . 389 D CB . 17491 1 658 . 1 1 99 99 ASP N N 15 121.333 0.039 . 1 . . . . 389 D N . 17491 1 659 . 1 1 100 100 MET H H 1 7.861 0.004 . 1 . . . . 390 M HN . 17491 1 660 . 1 1 100 100 MET HA H 1 4.1 0.004 . 1 . . . . 390 M HA . 17491 1 661 . 1 1 100 100 MET HB2 H 1 1.846 0.015 . 2 . . . . 390 M HB . 17491 1 662 . 1 1 100 100 MET HB3 H 1 1.846 0.015 . 2 . . . . 390 M HB . 17491 1 663 . 1 1 100 100 MET C C 13 178.124 0.4 . 1 . . . . 390 M CO . 17491 1 664 . 1 1 100 100 MET CA C 13 58.483 0.144 . 1 . . . . 390 M CA . 17491 1 665 . 1 1 100 100 MET CB C 13 32.351 0.103 . 1 . . . . 390 M CB . 17491 1 666 . 1 1 100 100 MET N N 15 122.877 0.053 . 1 . . . . 390 M N . 17491 1 667 . 1 1 101 101 LYS H H 1 7.983 0.006 . 1 . . . . 391 K HN . 17491 1 668 . 1 1 101 101 LYS HA H 1 3.482 0.017 . 1 . . . . 391 K HA . 17491 1 669 . 1 1 101 101 LYS HB2 H 1 1.522 0.012 . 2 . . . . 391 K HB . 17491 1 670 . 1 1 101 101 LYS HB3 H 1 1.522 0.012 . 2 . . . . 391 K HB . 17491 1 671 . 1 1 101 101 LYS C C 13 178.074 0.4 . 1 . . . . 391 K CO . 17491 1 672 . 1 1 101 101 LYS CA C 13 60.149 0.104 . 1 . . . . 391 K CA . 17491 1 673 . 1 1 101 101 LYS CB C 13 32.569 0.091 . 1 . . . . 391 K CB . 17491 1 674 . 1 1 101 101 LYS N N 15 118.742 0.048 . 1 . . . . 391 K N . 17491 1 675 . 1 1 102 102 ARG H H 1 8.067 0.004 . 1 . . . . 392 R HN . 17491 1 676 . 1 1 102 102 ARG HA H 1 3.951 0.04 . 1 . . . . 392 R HA . 17491 1 677 . 1 1 102 102 ARG CA C 13 59.575 0.4 . 1 . . . . 392 R CA . 17491 1 678 . 1 1 102 102 ARG CB C 13 30.347 0.083 . 1 . . . . 392 R CB . 17491 1 679 . 1 1 102 102 ARG N N 15 119.015 0.071 . 1 . . . . 392 R N . 17491 1 680 . 1 1 103 103 TYR H H 1 8.046 0.005 . 1 . . . . 393 Y HN . 17491 1 681 . 1 1 103 103 TYR C C 13 179.263 0.4 . 1 . . . . 393 Y CO . 17491 1 682 . 1 1 103 103 TYR CA C 13 61.969 0.059 . 1 . . . . 393 Y CA . 17491 1 683 . 1 1 103 103 TYR CB C 13 39.631 0.057 . 1 . . . . 393 Y CB . 17491 1 684 . 1 1 103 103 TYR N N 15 119.85 0.039 . 1 . . . . 393 Y N . 17491 1 685 . 1 1 104 104 TYR H H 1 7.826 0.003 . 1 . . . . 394 Y HN . 17491 1 686 . 1 1 104 104 TYR HA H 1 4.15 0.007 . 1 . . . . 394 Y HA . 17491 1 687 . 1 1 104 104 TYR HB2 H 1 3.496 0.007 . 2 . . . . 394 Y HB2 . 17491 1 688 . 1 1 104 104 TYR HB3 H 1 3.268 0.007 . 2 . . . . 394 Y HB3 . 17491 1 689 . 1 1 104 104 TYR C C 13 177.957 0.4 . 1 . . . . 394 Y CO . 17491 1 690 . 1 1 104 104 TYR CA C 13 61.738 0.09 . 1 . . . . 394 Y CA . 17491 1 691 . 1 1 104 104 TYR CB C 13 39.18 0.072 . 1 . . . . 394 Y CB . 17491 1 692 . 1 1 104 104 TYR N N 15 119.349 0.071 . 1 . . . . 394 Y N . 17491 1 693 . 1 1 105 105 ASN H H 1 8.483 0.008 . 1 . . . . 395 N HN . 17491 1 694 . 1 1 105 105 ASN HA H 1 4.413 0.012 . 1 . . . . 395 N HA . 17491 1 695 . 1 1 105 105 ASN HB2 H 1 2.828 0.005 . 2 . . . . 395 N HB . 17491 1 696 . 1 1 105 105 ASN HB3 H 1 2.828 0.005 . 2 . . . . 395 N HB . 17491 1 697 . 1 1 105 105 ASN C C 13 176.981 0.4 . 1 . . . . 395 N CO . 17491 1 698 . 1 1 105 105 ASN CA C 13 55.599 0.068 . 1 . . . . 395 N CA . 17491 1 699 . 1 1 105 105 ASN CB C 13 38.649 0.077 . 1 . . . . 395 N CB . 17491 1 700 . 1 1 105 105 ASN N N 15 117.41 0.051 . 1 . . . . 395 N N . 17491 1 701 . 1 1 106 106 ASN H H 1 8.077 0.004 . 1 . . . . 396 N HN . 17491 1 702 . 1 1 106 106 ASN HA H 1 4.541 0.008 . 1 . . . . 396 N HA . 17491 1 703 . 1 1 106 106 ASN HB2 H 1 2.74 0.006 . 2 . . . . 396 N HB . 17491 1 704 . 1 1 106 106 ASN HB3 H 1 2.74 0.006 . 2 . . . . 396 N HB . 17491 1 705 . 1 1 106 106 ASN C C 13 176.412 0.4 . 1 . . . . 396 N CO . 17491 1 706 . 1 1 106 106 ASN CA C 13 54.762 0.064 . 1 . . . . 396 N CA . 17491 1 707 . 1 1 106 106 ASN CB C 13 38.644 0.099 . 1 . . . . 396 N CB . 17491 1 708 . 1 1 106 106 ASN N N 15 118.12 0.065 . 1 . . . . 396 N N . 17491 1 709 . 1 1 107 107 GLN H H 1 7.754 0.01 . 1 . . . . 397 Q HN . 17491 1 710 . 1 1 107 107 GLN HA H 1 4.02 0.012 . 1 . . . . 397 Q HA . 17491 1 711 . 1 1 107 107 GLN HB2 H 1 1.962 0.008 . 2 . . . . 397 Q HB . 17491 1 712 . 1 1 107 107 GLN HB3 H 1 1.962 0.008 . 2 . . . . 397 Q HB . 17491 1 713 . 1 1 107 107 GLN C C 13 177.074 0.4 . 1 . . . . 397 Q CO . 17491 1 714 . 1 1 107 107 GLN CA C 13 56.798 0.067 . 1 . . . . 397 Q CA . 17491 1 715 . 1 1 107 107 GLN CB C 13 28.63 0.085 . 1 . . . . 397 Q CB . 17491 1 716 . 1 1 107 107 GLN N N 15 118.582 0.096 . 1 . . . . 397 Q N . 17491 1 717 . 1 1 108 108 GLN H H 1 7.824 0.005 . 1 . . . . 398 Q HN . 17491 1 718 . 1 1 108 108 GLN CA C 13 56.435 0.4 . 1 . . . . 398 Q CA . 17491 1 719 . 1 1 108 108 GLN CB C 13 28.786 0.4 . 1 . . . . 398 Q CB . 17491 1 720 . 1 1 108 108 GLN N N 15 118.192 0.07 . 1 . . . . 398 Q N . 17491 1 721 . 1 1 113 113 LYS HA H 1 4.113 0.009 . 1 . . . . 403 K HA . 17491 1 722 . 1 1 113 113 LYS HB2 H 1 1.85 0.04 . 2 . . . . 403 K HB . 17491 1 723 . 1 1 113 113 LYS HB3 H 1 1.85 0.04 . 2 . . . . 403 K HB . 17491 1 724 . 1 1 113 113 LYS C C 13 176.22 0.4 . 1 . . . . 403 K CO . 17491 1 725 . 1 1 113 113 LYS CA C 13 56.817 0.049 . 1 . . . . 403 K CA . 17491 1 726 . 1 1 113 113 LYS CB C 13 30.245 0.018 . 1 . . . . 403 K CB . 17491 1 727 . 1 1 114 114 HIS H H 1 8.13 0.012 . 1 . . . . 404 H HN . 17491 1 728 . 1 1 114 114 HIS HA H 1 4.606 0.007 . 1 . . . . 404 H HA . 17491 1 729 . 1 1 114 114 HIS HB2 H 1 3.033 0.012 . 2 . . . . 404 H HB . 17491 1 730 . 1 1 114 114 HIS HB3 H 1 3.033 0.012 . 2 . . . . 404 H HB . 17491 1 731 . 1 1 114 114 HIS C C 13 175.243 0.4 . 1 . . . . 404 H CO . 17491 1 732 . 1 1 114 114 HIS CA C 13 56.338 0.093 . 1 . . . . 404 H CA . 17491 1 733 . 1 1 114 114 HIS CB C 13 31.049 0.109 . 1 . . . . 404 H CB . 17491 1 734 . 1 1 114 114 HIS N N 15 119.598 0.096 . 1 . . . . 404 H N . 17491 1 735 . 1 1 115 115 VAL H H 1 7.929 0.013 . 1 . . . . 405 V HN . 17491 1 736 . 1 1 115 115 VAL HA H 1 4.053 0.01 . 1 . . . . 405 V HA . 17491 1 737 . 1 1 115 115 VAL HB H 1 2.009 0.022 . 1 . . . . 405 V HB . 17491 1 738 . 1 1 115 115 VAL C C 13 175.587 0.4 . 1 . . . . 405 V CO . 17491 1 739 . 1 1 115 115 VAL CA C 13 62.136 0.093 . 1 . . . . 405 V CA . 17491 1 740 . 1 1 115 115 VAL CB C 13 32.875 0.075 . 1 . . . . 405 V CB . 17491 1 741 . 1 1 115 115 VAL N N 15 122.004 0.09 . 1 . . . . 405 V N . 17491 1 742 . 1 1 116 116 LYS H H 1 8.405 0.005 . 1 . . . . 406 K HN . 17491 1 743 . 1 1 116 116 LYS HA H 1 4.58 0.009 . 1 . . . . 406 K HA . 17491 1 744 . 1 1 116 116 LYS HB2 H 1 1.723 0.004 . 2 . . . . 406 K HB . 17491 1 745 . 1 1 116 116 LYS HB3 H 1 1.723 0.004 . 2 . . . . 406 K HB . 17491 1 746 . 1 1 116 116 LYS CA C 13 54.193 0.04 . 1 . . . . 406 K CA . 17491 1 747 . 1 1 116 116 LYS CB C 13 32.796 0.4 . 1 . . . . 406 K CB . 17491 1 748 . 1 1 116 116 LYS N N 15 126.915 0.057 . 1 . . . . 406 K N . 17491 1 749 . 1 1 117 117 PRO HA H 1 4.433 0.005 . 1 . . . . 407 P HA . 17491 1 750 . 1 1 117 117 PRO HB2 H 1 2.28 0.016 . 2 . . . . 407 P HB . 17491 1 751 . 1 1 117 117 PRO HB3 H 1 2.28 0.016 . 2 . . . . 407 P HB . 17491 1 752 . 1 1 117 117 PRO C C 13 176.138 0.4 . 1 . . . . 407 P CO . 17491 1 753 . 1 1 117 117 PRO CA C 13 63.535 0.013 . 1 . . . . 407 P CA . 17491 1 754 . 1 1 117 117 PRO CB C 13 32.227 0.4 . 1 . . . . 407 P CB . 17491 1 755 . 1 1 118 118 SER H H 1 7.977 0.006 . 1 . . . . 408 S HN . 17491 1 756 . 1 1 118 118 SER CA C 13 60.147 0.4 . 1 . . . . 408 S CA . 17491 1 757 . 1 1 118 118 SER CB C 13 64.982 0.4 . 1 . . . . 408 S CB . 17491 1 758 . 1 1 118 118 SER N N 15 121.857 0.04 . 1 . . . . 408 S N . 17491 1 759 . 1 1 119 119 CYS HA H 1 4.534 0.005 . 1 . . . . 409 C HA . 17491 1 760 . 1 1 119 119 CYS HB2 H 1 2.93 0.011 . 2 . . . . 409 C HB . 17491 1 761 . 1 1 119 119 CYS HB3 H 1 2.93 0.011 . 2 . . . . 409 C HB . 17491 1 762 . 1 1 119 119 CYS C C 13 174.775 0.4 . 1 . . . . 409 C CO . 17491 1 763 . 1 1 119 119 CYS CA C 13 58.688 0.055 . 1 . . . . 409 C CA . 17491 1 764 . 1 1 119 119 CYS CB C 13 28.333 0.071 . 1 . . . . 409 C CB . 17491 1 765 . 1 1 120 120 ILE H H 1 8.117 0.003 . 1 . . . . 410 I HN . 17491 1 766 . 1 1 120 120 ILE CA C 13 61.645 0.4 . 1 . . . . 410 I CA . 17491 1 767 . 1 1 120 120 ILE CB C 13 38.868 0.4 . 1 . . . . 410 I CB . 17491 1 768 . 1 1 120 120 ILE N N 15 122.46 0.051 . 1 . . . . 410 I N . 17491 1 769 . 1 1 122 122 MET C C 13 176.296 0.4 . 1 . . . . 412 M CO . 17491 1 770 . 1 1 122 122 MET CB C 13 32.438 0.4 . 1 . . . . 412 M CB . 17491 1 771 . 1 1 123 123 MET H H 1 8.26 0.005 . 1 . . . . 413 M HN . 17491 1 772 . 1 1 123 123 MET HA H 1 4.431 0.019 . 1 . . . . 413 M HA . 17491 1 773 . 1 1 123 123 MET HB2 H 1 2.047 0.012 . 2 . . . . 413 M HB . 17491 1 774 . 1 1 123 123 MET HB3 H 1 2.047 0.012 . 2 . . . . 413 M HB . 17491 1 775 . 1 1 123 123 MET C C 13 176.222 0.4 . 1 . . . . 413 M CO . 17491 1 776 . 1 1 123 123 MET CA C 13 55.723 0.059 . 1 . . . . 413 M CA . 17491 1 777 . 1 1 123 123 MET CB C 13 32.636 0.219 . 1 . . . . 413 M CB . 17491 1 778 . 1 1 123 123 MET N N 15 120.417 0.047 . 1 . . . . 413 M N . 17491 1 779 . 1 1 124 124 GLU H H 1 8.265 0.006 . 1 . . . . 414 E HN . 17491 1 780 . 1 1 124 124 GLU HA H 1 4.246 0.012 . 1 . . . . 414 E HA . 17491 1 781 . 1 1 124 124 GLU HB2 H 1 2.007 0.02 . 2 . . . . 414 E HB . 17491 1 782 . 1 1 124 124 GLU HB3 H 1 2.007 0.02 . 2 . . . . 414 E HB . 17491 1 783 . 1 1 124 124 GLU C C 13 176.272 0.4 . 1 . . . . 414 E CO . 17491 1 784 . 1 1 124 124 GLU CA C 13 56.712 0.085 . 1 . . . . 414 E CA . 17491 1 785 . 1 1 124 124 GLU CB C 13 30.348 0.083 . 1 . . . . 414 E CB . 17491 1 786 . 1 1 124 124 GLU N N 15 121.879 0.21 . 1 . . . . 414 E N . 17491 1 787 . 1 1 125 125 LYS H H 1 8.323 0.007 . 1 . . . . 415 K HN . 17491 1 788 . 1 1 125 125 LYS HA H 1 4.352 0.011 . 1 . . . . 415 K HA . 17491 1 789 . 1 1 125 125 LYS HB2 H 1 1.83 0.03 . 2 . . . . 415 K HB . 17491 1 790 . 1 1 125 125 LYS HB3 H 1 1.83 0.03 . 2 . . . . 415 K HB . 17491 1 791 . 1 1 125 125 LYS C C 13 176.663 0.4 . 1 . . . . 415 K CO . 17491 1 792 . 1 1 125 125 LYS CA C 13 56.245 0.079 . 1 . . . . 415 K CA . 17491 1 793 . 1 1 125 125 LYS CB C 13 33.305 0.049 . 1 . . . . 415 K CB . 17491 1 794 . 1 1 125 125 LYS N N 15 122.018 0.055 . 1 . . . . 415 K N . 17491 1 795 . 1 1 126 126 GLY H H 1 8.223 0.005 . 1 . . . . 416 G HN . 17491 1 796 . 1 1 126 126 GLY HA2 H 1 4.121 0.011 . 2 . . . . 416 G HA2 . 17491 1 797 . 1 1 126 126 GLY HA3 H 1 4.041 0.005 . 2 . . . . 416 G HA3 . 17491 1 798 . 1 1 126 126 GLY CA C 13 44.716 0.052 . 1 . . . . 416 G CA . 17491 1 799 . 1 1 126 126 GLY N N 15 109.821 0.036 . 1 . . . . 416 G N . 17491 1 800 . 1 1 128 128 ASN HA H 1 4.734 0.04 . 1 . . . . 418 N HA . 17491 1 801 . 1 1 128 128 ASN HB2 H 1 2.722 0.04 . 2 . . . . 418 N HB . 17491 1 802 . 1 1 128 128 ASN HB3 H 1 2.722 0.04 . 2 . . . . 418 N HB . 17491 1 803 . 1 1 128 128 ASN C C 13 174.865 0.4 . 1 . . . . 418 N CO . 17491 1 804 . 1 1 128 128 ASN CA C 13 53.256 0.4 . 1 . . . . 418 N CA . 17491 1 805 . 1 1 128 128 ASN CB C 13 38.598 0.4 . 1 . . . . 418 N CB . 17491 1 806 . 1 1 129 129 LEU H H 1 8.379 0.007 . 1 . . . . 419 L HN . 17491 1 807 . 1 1 129 129 LEU C C 13 177.3 0.4 . 1 . . . . 419 L CO . 17491 1 808 . 1 1 129 129 LEU CA C 13 55.344 0.027 . 1 . . . . 419 L CA . 17491 1 809 . 1 1 129 129 LEU CB C 13 42.407 0.056 . 1 . . . . 419 L CB . 17491 1 810 . 1 1 129 129 LEU N N 15 123.261 0.095 . 1 . . . . 419 L N . 17491 1 811 . 1 1 130 130 GLN H H 1 8.289 0.003 . 1 . . . . 420 Q HN . 17491 1 812 . 1 1 130 130 GLN HA H 1 4.309 0.04 . 1 . . . . 420 Q HA . 17491 1 813 . 1 1 130 130 GLN HB2 H 1 2.017 0.008 . 2 . . . . 420 Q HB . 17491 1 814 . 1 1 130 130 GLN HB3 H 1 2.017 0.008 . 2 . . . . 420 Q HB . 17491 1 815 . 1 1 130 130 GLN C C 13 175.898 0.4 . 1 . . . . 420 Q CO . 17491 1 816 . 1 1 130 130 GLN CA C 13 55.869 0.041 . 1 . . . . 420 Q CA . 17491 1 817 . 1 1 130 130 GLN CB C 13 29.363 0.064 . 1 . . . . 420 Q CB . 17491 1 818 . 1 1 130 130 GLN N N 15 120.869 0.034 . 1 . . . . 420 Q N . 17491 1 819 . 1 1 131 131 VAL H H 1 8.048 0.007 . 1 . . . . 421 V HN . 17491 1 820 . 1 1 131 131 VAL HA H 1 4.043 0.007 . 1 . . . . 421 V HA . 17491 1 821 . 1 1 131 131 VAL HB H 1 2.02 0.004 . 1 . . . . 421 V HB . 17491 1 822 . 1 1 131 131 VAL C C 13 176.037 0.4 . 1 . . . . 421 V CO . 17491 1 823 . 1 1 131 131 VAL CA C 13 62.42 0.063 . 1 . . . . 421 V CA . 17491 1 824 . 1 1 131 131 VAL CB C 13 32.801 0.047 . 1 . . . . 421 V CB . 17491 1 825 . 1 1 131 131 VAL N N 15 121.496 0.03 . 1 . . . . 421 V N . 17491 1 826 . 1 1 132 132 LYS H H 1 8.358 0.006 . 1 . . . . 422 K HN . 17491 1 827 . 1 1 132 132 LYS HA H 1 4.253 0.015 . 1 . . . . 422 K HA . 17491 1 828 . 1 1 132 132 LYS HB2 H 1 1.747 0.01 . 2 . . . . 422 K HB . 17491 1 829 . 1 1 132 132 LYS HB3 H 1 1.747 0.01 . 2 . . . . 422 K HB . 17491 1 830 . 1 1 132 132 LYS C C 13 176.186 0.4 . 1 . . . . 422 K CO . 17491 1 831 . 1 1 132 132 LYS CA C 13 56.175 0.037 . 1 . . . . 422 K CA . 17491 1 832 . 1 1 132 132 LYS CB C 13 33.14 0.07 . 1 . . . . 422 K CB . 17491 1 833 . 1 1 132 132 LYS N N 15 125.565 0.036 . 1 . . . . 422 K N . 17491 1 834 . 1 1 133 133 LYS H H 1 8.285 0.004 . 1 . . . . 423 K HN . 17491 1 835 . 1 1 133 133 LYS HA H 1 4.248 0.008 . 1 . . . . 423 K HA . 17491 1 836 . 1 1 133 133 LYS HB2 H 1 1.719 0.04 . 2 . . . . 423 K HB . 17491 1 837 . 1 1 133 133 LYS HB3 H 1 1.719 0.04 . 2 . . . . 423 K HB . 17491 1 838 . 1 1 133 133 LYS C C 13 176.146 0.4 . 1 . . . . 423 K CO . 17491 1 839 . 1 1 133 133 LYS CA C 13 56.207 0.041 . 1 . . . . 423 K CA . 17491 1 840 . 1 1 133 133 LYS CB C 13 33.381 0.091 . 1 . . . . 423 K CB . 17491 1 841 . 1 1 133 133 LYS N N 15 123.486 0.065 . 1 . . . . 423 K N . 17491 1 842 . 1 1 134 134 LYS H H 1 8.37 0.008 . 1 . . . . 424 K HN . 17491 1 843 . 1 1 134 134 LYS HA H 1 4.257 0.04 . 1 . . . . 424 K HA . 17491 1 844 . 1 1 134 134 LYS HB2 H 1 1.726 0.004 . 2 . . . . 424 K HB . 17491 1 845 . 1 1 134 134 LYS HB3 H 1 1.726 0.004 . 2 . . . . 424 K HB . 17491 1 846 . 1 1 134 134 LYS C C 13 176.167 0.4 . 1 . . . . 424 K CO . 17491 1 847 . 1 1 134 134 LYS CA C 13 56.406 0.051 . 1 . . . . 424 K CA . 17491 1 848 . 1 1 134 134 LYS CB C 13 33.222 0.053 . 1 . . . . 424 K CB . 17491 1 849 . 1 1 134 134 LYS N N 15 123.767 0.11 . 1 . . . . 424 K N . 17491 1 850 . 1 1 135 135 ILE H H 1 8.24 0.009 . 1 . . . . 425 I HN . 17491 1 851 . 1 1 135 135 ILE CA C 13 58.611 0.4 . 1 . . . . 425 I CA . 17491 1 852 . 1 1 135 135 ILE CB C 13 38.729 0.4 . 1 . . . . 425 I CB . 17491 1 853 . 1 1 135 135 ILE N N 15 124.55 0.052 . 1 . . . . 425 I N . 17491 1 854 . 1 1 136 136 PRO HA H 1 4.398 0.018 . 1 . . . . 426 P HA . 17491 1 855 . 1 1 136 136 PRO HB2 H 1 2.256 0.003 . 2 . . . . 426 P HB2 . 17491 1 856 . 1 1 136 136 PRO HB3 H 1 1.877 0.005 . 2 . . . . 426 P HB3 . 17491 1 857 . 1 1 136 136 PRO C C 13 176.455 0.4 . 1 . . . . 426 P CO . 17491 1 858 . 1 1 136 136 PRO CA C 13 63.255 0.019 . 1 . . . . 426 P CA . 17491 1 859 . 1 1 136 136 PRO CB C 13 32.302 0.024 . 1 . . . . 426 P CB . 17491 1 860 . 1 1 137 137 ASP H H 1 8.385 0.004 . 1 . . . . 427 D HN . 17491 1 861 . 1 1 137 137 ASP HA H 1 4.512 0.01 . 1 . . . . 427 D HA . 17491 1 862 . 1 1 137 137 ASP HB2 H 1 2.63 0.013 . 2 . . . . 427 D HB . 17491 1 863 . 1 1 137 137 ASP HB3 H 1 2.63 0.013 . 2 . . . . 427 D HB . 17491 1 864 . 1 1 137 137 ASP C C 13 176.27 0.4 . 1 . . . . 427 D CO . 17491 1 865 . 1 1 137 137 ASP CA C 13 54.62 0.012 . 1 . . . . 427 D CA . 17491 1 866 . 1 1 137 137 ASP CB C 13 41.55 0.016 . 1 . . . . 427 D CB . 17491 1 867 . 1 1 137 137 ASP N N 15 121.068 0.031 . 1 . . . . 427 D N . 17491 1 868 . 1 1 138 138 LYS H H 1 8.263 0.003 . 1 . . . . 428 K HN . 17491 1 869 . 1 1 138 138 LYS C C 13 176.444 0.4 . 1 . . . . 428 K CO . 17491 1 870 . 1 1 138 138 LYS CA C 13 56.634 0.116 . 1 . . . . 428 K CA . 17491 1 871 . 1 1 138 138 LYS CB C 13 33.013 0.073 . 1 . . . . 428 K CB . 17491 1 872 . 1 1 138 138 LYS N N 15 121.089 0.098 . 1 . . . . 428 K N . 17491 1 873 . 1 1 139 139 GLN H H 1 8.443 0.006 . 1 . . . . 429 Q HN . 17491 1 874 . 1 1 139 139 GLN HA H 1 4.247 0.013 . 1 . . . . 429 Q HA . 17491 1 875 . 1 1 139 139 GLN HB2 H 1 2.08 0.04 . 2 . . . . 429 Q HB2 . 17491 1 876 . 1 1 139 139 GLN HB3 H 1 1.964 0.013 . 2 . . . . 429 Q HB3 . 17491 1 877 . 1 1 139 139 GLN C C 13 176.259 0.4 . 1 . . . . 429 Q CO . 17491 1 878 . 1 1 139 139 GLN CA C 13 56.406 0.14 . 1 . . . . 429 Q CA . 17491 1 879 . 1 1 139 139 GLN CB C 13 29.407 0.13 . 1 . . . . 429 Q CB . 17491 1 880 . 1 1 139 139 GLN N N 15 121.338 0.012 . 1 . . . . 429 Q N . 17491 1 881 . 1 1 140 140 GLU H H 1 8.453 0.004 . 1 . . . . 430 E HN . 17491 1 882 . 1 1 140 140 GLU HA H 1 4.216 0.002 . 1 . . . . 430 E HA . 17491 1 883 . 1 1 140 140 GLU HB2 H 1 2.249 0.01 . 2 . . . . 430 E HB2 . 17491 1 884 . 1 1 140 140 GLU HB3 H 1 1.991 0.04 . 2 . . . . 430 E HB3 . 17491 1 885 . 1 1 140 140 GLU C C 13 176.51 0.4 . 1 . . . . 430 E CO . 17491 1 886 . 1 1 140 140 GLU CA C 13 57.059 0.055 . 1 . . . . 430 E CA . 17491 1 887 . 1 1 140 140 GLU CB C 13 30.319 0.061 . 1 . . . . 430 E CB . 17491 1 888 . 1 1 140 140 GLU N N 15 122.014 0.028 . 1 . . . . 430 E N . 17491 1 889 . 1 1 141 141 GLN H H 1 8.35 0.006 . 1 . . . . 431 Q HN . 17491 1 890 . 1 1 141 141 GLN HA H 1 4.292 0.024 . 1 . . . . 431 Q HA . 17491 1 891 . 1 1 141 141 GLN HB2 H 1 2.017 0.026 . 2 . . . . 431 Q HB . 17491 1 892 . 1 1 141 141 GLN HB3 H 1 2.017 0.026 . 2 . . . . 431 Q HB . 17491 1 893 . 1 1 141 141 GLN C C 13 176.037 0.4 . 1 . . . . 431 Q CO . 17491 1 894 . 1 1 141 141 GLN CA C 13 56.102 0.006 . 1 . . . . 431 Q CA . 17491 1 895 . 1 1 141 141 GLN CB C 13 29.429 0.115 . 1 . . . . 431 Q CB . 17491 1 896 . 1 1 141 141 GLN N N 15 120.578 0.038 . 1 . . . . 431 Q N . 17491 1 897 . 1 1 142 142 MET H H 1 8.311 0.003 . 1 . . . . 432 M HN . 17491 1 898 . 1 1 142 142 MET N N 15 121.327 0.037 . 1 . . . . 432 M N . 17491 1 899 . 1 1 144 144 ASN HA H 1 4.674 0.011 . 1 . . . . 434 N HA . 17491 1 900 . 1 1 144 144 ASN HB2 H 1 2.84 0.006 . 2 . . . . 434 N HB . 17491 1 901 . 1 1 144 144 ASN HB3 H 1 2.84 0.006 . 2 . . . . 434 N HB . 17491 1 902 . 1 1 144 144 ASN C C 13 175.915 0.4 . 1 . . . . 434 N CO . 17491 1 903 . 1 1 144 144 ASN CA C 13 54.459 0.4 . 1 . . . . 434 N CA . 17491 1 904 . 1 1 144 144 ASN CB C 13 38.718 0.058 . 1 . . . . 434 N CB . 17491 1 905 . 1 1 145 145 ASP H H 1 8.36 0.003 . 1 . . . . 435 D HN . 17491 1 906 . 1 1 145 145 ASP HA H 1 4.494 0.006 . 1 . . . . 435 D HA . 17491 1 907 . 1 1 145 145 ASP HB2 H 1 2.6 0.006 . 2 . . . . 435 D HB . 17491 1 908 . 1 1 145 145 ASP HB3 H 1 2.6 0.006 . 2 . . . . 435 D HB . 17491 1 909 . 1 1 145 145 ASP C C 13 176.776 0.4 . 1 . . . . 435 D CO . 17491 1 910 . 1 1 145 145 ASP CA C 13 55.668 0.097 . 1 . . . . 435 D CA . 17491 1 911 . 1 1 145 145 ASP CB C 13 41.2 0.043 . 1 . . . . 435 D CB . 17491 1 912 . 1 1 145 145 ASP N N 15 120.354 0.063 . 1 . . . . 435 D N . 17491 1 913 . 1 1 146 146 ASP H H 1 8.103 0.008 . 1 . . . . 436 D HN . 17491 1 914 . 1 1 146 146 ASP C C 13 174.221 0.4 . 1 . . . . 436 D CO . 17491 1 915 . 1 1 146 146 ASP CA C 13 55.806 0.091 . 1 . . . . 436 D CA . 17491 1 916 . 1 1 146 146 ASP CB C 13 40.832 0.073 . 1 . . . . 436 D CB . 17491 1 917 . 1 1 146 146 ASP N N 15 120.424 0.041 . 1 . . . . 436 D N . 17491 1 918 . 1 1 147 147 PHE H H 1 8.216 0.004 . 1 . . . . 437 F HN . 17491 1 919 . 1 1 147 147 PHE HA H 1 4.41 0.007 . 1 . . . . 437 F HA . 17491 1 920 . 1 1 147 147 PHE HB2 H 1 3.134 0.001 . 2 . . . . 437 F HB2 . 17491 1 921 . 1 1 147 147 PHE HB3 H 1 3.059 0.04 . 2 . . . . 437 F HB3 . 17491 1 922 . 1 1 147 147 PHE C C 13 176.754 0.4 . 1 . . . . 437 F CO . 17491 1 923 . 1 1 147 147 PHE CA C 13 59.742 0.062 . 1 . . . . 437 F CA . 17491 1 924 . 1 1 147 147 PHE CB C 13 39.168 0.152 . 1 . . . . 437 F CB . 17491 1 925 . 1 1 147 147 PHE N N 15 120.893 0.042 . 1 . . . . 437 F N . 17491 1 926 . 1 1 148 148 ARG H H 1 8.053 0.007 . 1 . . . . 438 R HN . 17491 1 927 . 1 1 148 148 ARG HA H 1 4.033 0.04 . 1 . . . . 438 R HA . 17491 1 928 . 1 1 148 148 ARG HB2 H 1 1.823 0.04 . 2 . . . . 438 R HB . 17491 1 929 . 1 1 148 148 ARG HB3 H 1 1.823 0.04 . 2 . . . . 438 R HB . 17491 1 930 . 1 1 148 148 ARG C C 13 177.337 0.4 . 1 . . . . 438 R CO . 17491 1 931 . 1 1 148 148 ARG CA C 13 57.979 0.4 . 1 . . . . 438 R CA . 17491 1 932 . 1 1 148 148 ARG CB C 13 30.21 0.101 . 1 . . . . 438 R CB . 17491 1 933 . 1 1 148 148 ARG N N 15 119.813 0.049 . 1 . . . . 438 R N . 17491 1 934 . 1 1 149 149 LYS H H 1 7.887 0.005 . 1 . . . . 439 K HN . 17491 1 935 . 1 1 149 149 LYS CA C 13 57.773 0.002 . 1 . . . . 439 K CA . 17491 1 936 . 1 1 149 149 LYS CB C 13 32.814 0.059 . 1 . . . . 439 K CB . 17491 1 937 . 1 1 149 149 LYS N N 15 119.176 0.076 . 1 . . . . 439 K N . 17491 1 938 . 1 1 150 150 MET H H 1 7.911 0.007 . 1 . . . . 440 M HN . 17491 1 939 . 1 1 150 150 MET CA C 13 56.596 0.4 . 1 . . . . 440 M CA . 17491 1 940 . 1 1 150 150 MET CB C 13 32.98 0.4 . 1 . . . . 440 M CB . 17491 1 941 . 1 1 150 150 MET N N 15 118.928 0.081 . 1 . . . . 440 M N . 17491 1 942 . 1 1 151 151 PHE HA H 1 4.665 0.016 . 1 . . . . 441 F HA . 17491 1 943 . 1 1 151 151 PHE HB2 H 1 2.831 0.012 . 2 . . . . 441 F HB2 . 17491 1 944 . 1 1 151 151 PHE HB3 H 1 2.748 0.028 . 2 . . . . 441 F HB3 . 17491 1 945 . 1 1 151 151 PHE C C 13 175.24 0.4 . 1 . . . . 441 F CO . 17491 1 946 . 1 1 151 151 PHE CA C 13 53.331 0.045 . 1 . . . . 441 F CA . 17491 1 947 . 1 1 151 151 PHE CB C 13 38.562 0.08 . 1 . . . . 441 F CB . 17491 1 948 . 1 1 152 152 LEU H H 1 8.189 0.007 . 1 . . . . 442 L HN . 17491 1 949 . 1 1 152 152 LEU HA H 1 4.3 0.014 . 1 . . . . 442 L HA . 17491 1 950 . 1 1 152 152 LEU HB2 H 1 1.64 0.015 . 2 . . . . 442 L HB2 . 17491 1 951 . 1 1 152 152 LEU HB3 H 1 1.592 0.019 . 2 . . . . 442 L HB3 . 17491 1 952 . 1 1 152 152 LEU C C 13 177.796 0.4 . 1 . . . . 442 L CO . 17491 1 953 . 1 1 152 152 LEU CA C 13 55.38 0.104 . 1 . . . . 442 L CA . 17491 1 954 . 1 1 152 152 LEU CB C 13 42.238 0.053 . 1 . . . . 442 L CB . 17491 1 955 . 1 1 152 152 LEU N N 15 122.759 0.043 . 1 . . . . 442 L N . 17491 1 956 . 1 1 153 153 GLY H H 1 7.956 0.005 . 1 . . . . 443 G HN . 17491 1 957 . 1 1 153 153 GLY HA2 H 1 3.884 0.011 . 2 . . . . 443 G HA . 17491 1 958 . 1 1 153 153 GLY HA3 H 1 3.884 0.011 . 2 . . . . 443 G HA . 17491 1 959 . 1 1 153 153 GLY C C 13 174.225 0.4 . 1 . . . . 443 G CO . 17491 1 960 . 1 1 153 153 GLY CA C 13 45.599 0.045 . 1 . . . . 443 G CA . 17491 1 961 . 1 1 153 153 GLY N N 15 108.566 0.032 . 1 . . . . 443 G N . 17491 1 962 . 1 1 154 154 GLU H H 1 8.208 0.005 . 1 . . . . 444 E HN . 17491 1 963 . 1 1 154 154 GLU HA H 1 4.249 0.013 . 1 . . . . 444 E HA . 17491 1 964 . 1 1 154 154 GLU HB2 H 1 2.035 0.04 . 2 . . . . 444 E HB2 . 17491 1 965 . 1 1 154 154 GLU HB3 H 1 1.9 0.009 . 2 . . . . 444 E HB3 . 17491 1 966 . 1 1 154 154 GLU C C 13 176.659 0.4 . 1 . . . . 444 E CO . 17491 1 967 . 1 1 154 154 GLU CA C 13 56.802 0.076 . 1 . . . . 444 E CA . 17491 1 968 . 1 1 154 154 GLU CB C 13 30.382 0.067 . 1 . . . . 444 E CB . 17491 1 969 . 1 1 154 154 GLU N N 15 120.29 0.031 . 1 . . . . 444 E N . 17491 1 970 . 1 1 155 155 LEU H H 1 8.169 0.003 . 1 . . . . 445 L HN . 17491 1 971 . 1 1 155 155 LEU HA H 1 4.248 0.007 . 1 . . . . 445 L HA . 17491 1 972 . 1 1 155 155 LEU HB2 H 1 1.538 0.003 . 2 . . . . 445 L HB . 17491 1 973 . 1 1 155 155 LEU HB3 H 1 1.538 0.003 . 2 . . . . 445 L HB . 17491 1 974 . 1 1 155 155 LEU C C 13 177.384 0.4 . 1 . . . . 445 L CO . 17491 1 975 . 1 1 155 155 LEU CA C 13 55.547 0.062 . 1 . . . . 445 L CA . 17491 1 976 . 1 1 155 155 LEU CB C 13 42.425 0.097 . 1 . . . . 445 L CB . 17491 1 977 . 1 1 155 155 LEU N N 15 121.973 0.049 . 1 . . . . 445 L N . 17491 1 978 . 1 1 156 156 GLU H H 1 8.238 0.009 . 1 . . . . 446 E HN . 17491 1 979 . 1 1 156 156 GLU HA H 1 4.552 0.001 . 1 . . . . 446 E HA . 17491 1 980 . 1 1 156 156 GLU C C 13 174.177 0.4 . 1 . . . . 446 E CO . 17491 1 981 . 1 1 156 156 GLU CA C 13 56.16 0.086 . 1 . . . . 446 E CA . 17491 1 982 . 1 1 156 156 GLU CB C 13 30.779 0.091 . 1 . . . . 446 E CB . 17491 1 983 . 1 1 156 156 GLU N N 15 120.646 0.049 . 1 . . . . 446 E N . 17491 1 984 . 1 1 157 157 HIS H H 1 7.893 0.024 . 1 . . . . 447 H HN . 17491 1 985 . 1 1 157 157 HIS CA C 13 57.62 0.4 . 1 . . . . 447 H CA . 17491 1 986 . 1 1 157 157 HIS CB C 13 30.969 0.4 . 1 . . . . 447 H CB . 17491 1 987 . 1 1 157 157 HIS N N 15 125.713 0.099 . 1 . . . . 447 H N . 17491 1 stop_ save_