data_5991 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5991 _Entry.Title ; Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assignments and Backbone 15N Relaxation Parameters for Murine Ets-1 deltaN301 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-31 _Entry.Accession_date 2003-11-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; This Ets-1 fragment (residues 301-440) contains a C416S mutation. This system corresponds to the unbound (DNA-free) state ; _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 Gregory Lee . M. . 5991 2 Logan Donaldson . W. . 5991 3 Miles Pufall . A. . 5991 4 Hyun-Seo Kang . . . 5991 5 Lisa Gentile . N. . 5991 6 Isabelle Pot . . . 5991 7 Barbara Graves . J. . 5991 8 Lawrence McIntosh . P. . 5991 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5991 heteronucl_T1_relaxation 1 5991 heteronucl_T2_relaxation 1 5991 heteronucl_NOEs 1 5991 order_parameters 1 5991 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1025 5991 '13C chemical shifts' 657 5991 '15N chemical shifts' 156 5991 'T1 relaxation values' 125 5991 'T2 relaxation values' 125 5991 'order parameters' 124 5991 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-11 . update BMRB 'tag names updated in order parameter save frame' 5991 2 . . 2011-03-23 . update BMRB ; T1_value units and T2_value_units changed from ms to s Tau_e_value_units changed from ps to ns ; 5991 3 . . 2005-04-26 . original author 'original release' 5991 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5991 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15591056 _Citation.Full_citation . _Citation.Title ; The structural and dynamic basis of Ets-1 DNA Binding autoinhibition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 8 _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 7088 _Citation.Page_last 7099 _Citation.Year 2005 _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 Gregory Lee . M. . 5991 1 2 Logan Donaldson . W. . 5991 1 3 Miles Pufall . A. . 5991 1 4 Hyun-Seo Kang . . . 5991 1 5 Isabelle Pot . . . 5991 1 6 Barbara Graves . J. . 5991 1 7 Lawrence McIntosh . P. . 5991 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ets-1 5991 1 'ETS domain' 5991 1 'transcription factor' 5991 1 DNA-binding 5991 1 autoinhibition 5991 1 'protein dynamics' 5991 1 'nuclear magnetic resonance' 5991 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Ets-1_DN301 _Assembly.Sf_category assembly _Assembly.Sf_framecode Ets-1_DN301 _Assembly.Entry_ID 5991 _Assembly.ID 1 _Assembly.Name 'Murine Ets-1 deltaN301' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5991 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ets-1 DN301 monomer' 1 $Ets-1 . . . native . . . . . 5991 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1R36 . . . . . . 5991 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Murine Ets-1 deltaN301' system 5991 1 'Ets-1 DN301' abbreviation 5991 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 5991 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ets-1 _Entity.Sf_category entity _Entity.Sf_framecode Ets-1 _Entity.Entry_ID 5991 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ets-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KGTFKDYVRDRADLNKDKPV IPAAALAGYTGSGPIQLWQF LLELLTDKSCQSFISWTGDG WEFKLSDPDEVARRWGKRKN KPKMNYEKLSRGLRYYYDKN IIHKTAGKRYVYRFVSDLQS LLGYTPEELHAMLDVKPDAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16226.51 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'pI 9.22, extinction coeffiencient (280nm) = 34280' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P41156 . 'Protein C-ets-1 (p54)' . . . . . 100.00 441 99.29 99.29 9.92e-78 . . . . 5991 1 . . SWISS-PROT P27577 . 'Protein C-ets-1 (p54)' . . . . . 100.00 440 99.29 99.29 9.36e-78 . . . . 5991 1 . . SWISS-PROT P15062 . 'Transforming protein p68/c-ets-1' . . . . . 100.00 485 98.57 99.29 1.37e-77 . . . . 5991 1 . . SWISS-PROT P14921 . 'Protein C-ets-1 (p54)' . . . . . 100.00 441 99.29 99.29 1.12e-77 . . . . 5991 1 . . SWISS-PROT P13474 . 'Transforming protein p54/c-ets-1' . . . . . 100.00 441 98.57 99.29 1.19e-77 . . . . 5991 1 . . REF NP_035938 . "E26 avian leukemia oncogene 1, 5' domain isoform 1 [Mus musculus]" . . . . . 100.00 440 99.29 99.29 9.36e-78 . . . . 5991 1 . . REF NP_005229 . 'v-ets erythroblastosis virus E26 oncogene homolog 1 [Homo sapiens]' . . . . . 100.00 441 99.29 99.29 1.12e-77 . . . . 5991 1 . . REF NP_001092576 . 'v-ets erythroblastosis virus E26 oncogene homolog 1 [Bos taurus]' . . . . . 100.00 441 99.29 99.29 9.52e-78 . . . . 5991 1 . . REF NP_001076130 . 'C-ets-1 [Oryctolagus cuniculus]' . . . . . 100.00 441 99.29 99.29 1.23e-77 . . . . 5991 1 . . REF NP_001033731 . "E26 avian leukemia oncogene 1, 5' domain isoform 2 [Mus musculus]" . . . . . 78.57 353 99.09 99.09 7.39e-60 . . . . 5991 1 . . PRF 1613535A . 'c-ets protooncogene' . . . . . 100.00 441 98.57 99.29 1.19e-77 . . . . 5991 1 . . GenBank AAA52410 . 'ets-1 protein' . . . . . 100.00 441 99.29 99.29 1.12e-77 . . . . 5991 1 . . GenBank AAA48764 . 'p54 protein [Gallus gallus]' . . . . . 100.00 441 98.57 99.29 1.05e-77 . . . . 5991 1 . . GenBank AAA48669 . 'c-ets-1 protein' . . . . . 100.00 485 98.57 99.29 1.37e-77 . . . . 5991 1 . . GenBank AAA48668 . 'c-ets protein' . . . . . 100.00 491 98.57 99.29 8.98e-78 . . . . 5991 1 . . GenBank AAA21093 . proto-oncogene . . . . . 100.00 441 99.29 99.29 9.92e-78 . . . . 5991 1 . . EMBL CAE45783 . 'hypothetical protein [Homo sapiens]' . . . . . 100.00 485 99.29 99.29 1.07e-77 . . . . 5991 1 . . EMBL CAA37904 . 'proto-oncogene [Mus musculus]' . . . . . 100.00 440 99.29 99.29 9.36e-78 . . . . 5991 1 . . EMBL CAA32904 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 441 99.29 99.29 1.12e-77 . . . . 5991 1 . . EMBL CAA31442 . 'unnamed protein product [Gallus gallus]' . . . . . 100.00 441 98.57 99.29 1.19e-77 . . . . 5991 1 . . EMBL CAA31441 . 'unnamed protein product [Gallus gallus]' . . . . . 100.00 441 98.57 99.29 1.19e-77 . . . . 5991 1 . . DBJ BAE40197 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 440 99.29 99.29 9.36e-78 . . . . 5991 1 . . DBJ BAC36266 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 440 99.29 99.29 9.68e-78 . . . . 5991 1 . . PDB 2STW . 'Solution Nmr Structure Of The Human Ets1DNA COMPLEX, Restrained Regularized Mean Structure' . . . . . 67.86 96 100.00 100.00 4.49e-50 . . . . 5991 1 . . PDB 2STT . 'Solution Nmr Structure Of The Human Ets1DNA COMPLEX, 25 Structures' . . . . . 67.86 96 100.00 100.00 4.49e-50 . . . . 5991 1 . . PDB 2NNY . 'Crystal Structure Of The Ets1 Dimer Dna Complex' . . . . . 100.00 171 99.29 99.29 2.99e-76 . . . . 5991 1 . . PDB 1R36 . 'Nmr-Based Structure Of Autoinhibited Murine Ets-1 Deltan301' . . . . . 100.00 140 100.00 100.00 4.72e-77 . . . . 5991 1 . . PDB 1MDM . 'Inhibited Fragment Of Ets-1 And Paired Domain Of Pax5 Bound To Dna' . . . . . 100.00 161 99.29 99.29 2.99e-76 . . . . 5991 1 . . PDB 1MD0 . 'Crystal Structure Of An Inhibited Fragment Of Ets-1' . . . . . 100.00 141 99.29 99.29 2.16e-76 . . . . 5991 1 . . PDB 1K7A . 'Ets-1(331-440)+ggag Duplex' . . . . . 78.57 110 99.09 99.09 1.31e-58 . . . . 5991 1 . . PDB 1K79 . 'Ets-1(331-440)+ggaa Duplex' . . . . . 78.57 110 99.09 99.09 1.31e-58 . . . . 5991 1 . . PDB 1K78 . Pax5(1-149)+ets-1(331-440)+dna . . . . . 78.57 110 99.09 99.09 1.31e-58 . . . . 5991 1 . . PDB 1GVJ . 'Ets-1 Dna Binding And Autoinhibitory Domains' . . . . . 100.00 146 99.29 99.29 1.77e-76 . . . . 5991 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ets-1 common 5991 1 C416S variant 5991 1 Ets-1 abbreviation 5991 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 1 301 LYS . 5991 1 2 302 GLY . 5991 1 3 303 THR . 5991 1 4 304 PHE . 5991 1 5 305 LYS . 5991 1 6 306 ASP . 5991 1 7 307 TYR . 5991 1 8 308 VAL . 5991 1 9 309 ARG . 5991 1 10 310 ASP . 5991 1 11 311 ARG . 5991 1 12 312 ALA . 5991 1 13 313 ASP . 5991 1 14 314 LEU . 5991 1 15 315 ASN . 5991 1 16 316 LYS . 5991 1 17 317 ASP . 5991 1 18 318 LYS . 5991 1 19 319 PRO . 5991 1 20 320 VAL . 5991 1 21 321 ILE . 5991 1 22 322 PRO . 5991 1 23 323 ALA . 5991 1 24 324 ALA . 5991 1 25 325 ALA . 5991 1 26 326 LEU . 5991 1 27 327 ALA . 5991 1 28 328 GLY . 5991 1 29 329 TYR . 5991 1 30 330 THR . 5991 1 31 331 GLY . 5991 1 32 332 SER . 5991 1 33 333 GLY . 5991 1 34 334 PRO . 5991 1 35 335 ILE . 5991 1 36 336 GLN . 5991 1 37 337 LEU . 5991 1 38 338 TRP . 5991 1 39 339 GLN . 5991 1 40 340 PHE . 5991 1 41 341 LEU . 5991 1 42 342 LEU . 5991 1 43 343 GLU . 5991 1 44 344 LEU . 5991 1 45 345 LEU . 5991 1 46 346 THR . 5991 1 47 347 ASP . 5991 1 48 348 LYS . 5991 1 49 349 SER . 5991 1 50 350 CYS . 5991 1 51 351 GLN . 5991 1 52 352 SER . 5991 1 53 353 PHE . 5991 1 54 354 ILE . 5991 1 55 355 SER . 5991 1 56 356 TRP . 5991 1 57 357 THR . 5991 1 58 358 GLY . 5991 1 59 359 ASP . 5991 1 60 360 GLY . 5991 1 61 361 TRP . 5991 1 62 362 GLU . 5991 1 63 363 PHE . 5991 1 64 364 LYS . 5991 1 65 365 LEU . 5991 1 66 366 SER . 5991 1 67 367 ASP . 5991 1 68 368 PRO . 5991 1 69 369 ASP . 5991 1 70 370 GLU . 5991 1 71 371 VAL . 5991 1 72 372 ALA . 5991 1 73 373 ARG . 5991 1 74 374 ARG . 5991 1 75 375 TRP . 5991 1 76 376 GLY . 5991 1 77 377 LYS . 5991 1 78 378 ARG . 5991 1 79 379 LYS . 5991 1 80 380 ASN . 5991 1 81 381 LYS . 5991 1 82 382 PRO . 5991 1 83 383 LYS . 5991 1 84 384 MET . 5991 1 85 385 ASN . 5991 1 86 386 TYR . 5991 1 87 387 GLU . 5991 1 88 388 LYS . 5991 1 89 389 LEU . 5991 1 90 390 SER . 5991 1 91 391 ARG . 5991 1 92 392 GLY . 5991 1 93 393 LEU . 5991 1 94 394 ARG . 5991 1 95 395 TYR . 5991 1 96 396 TYR . 5991 1 97 397 TYR . 5991 1 98 398 ASP . 5991 1 99 399 LYS . 5991 1 100 400 ASN . 5991 1 101 401 ILE . 5991 1 102 402 ILE . 5991 1 103 403 HIS . 5991 1 104 404 LYS . 5991 1 105 405 THR . 5991 1 106 406 ALA . 5991 1 107 407 GLY . 5991 1 108 408 LYS . 5991 1 109 409 ARG . 5991 1 110 410 TYR . 5991 1 111 411 VAL . 5991 1 112 412 TYR . 5991 1 113 413 ARG . 5991 1 114 414 PHE . 5991 1 115 415 VAL . 5991 1 116 416 SER . 5991 1 117 417 ASP . 5991 1 118 418 LEU . 5991 1 119 419 GLN . 5991 1 120 420 SER . 5991 1 121 421 LEU . 5991 1 122 422 LEU . 5991 1 123 423 GLY . 5991 1 124 424 TYR . 5991 1 125 425 THR . 5991 1 126 426 PRO . 5991 1 127 427 GLU . 5991 1 128 428 GLU . 5991 1 129 429 LEU . 5991 1 130 430 HIS . 5991 1 131 431 ALA . 5991 1 132 432 MET . 5991 1 133 433 LEU . 5991 1 134 434 ASP . 5991 1 135 435 VAL . 5991 1 136 436 LYS . 5991 1 137 437 PRO . 5991 1 138 438 ASP . 5991 1 139 439 ALA . 5991 1 140 440 ASP . 5991 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 . LYS 1 1 5991 1 . GLY 2 2 5991 1 . THR 3 3 5991 1 . PHE 4 4 5991 1 . LYS 5 5 5991 1 . ASP 6 6 5991 1 . TYR 7 7 5991 1 . VAL 8 8 5991 1 . ARG 9 9 5991 1 . ASP 10 10 5991 1 . ARG 11 11 5991 1 . ALA 12 12 5991 1 . ASP 13 13 5991 1 . LEU 14 14 5991 1 . ASN 15 15 5991 1 . LYS 16 16 5991 1 . ASP 17 17 5991 1 . LYS 18 18 5991 1 . PRO 19 19 5991 1 . VAL 20 20 5991 1 . ILE 21 21 5991 1 . PRO 22 22 5991 1 . ALA 23 23 5991 1 . ALA 24 24 5991 1 . ALA 25 25 5991 1 . LEU 26 26 5991 1 . ALA 27 27 5991 1 . GLY 28 28 5991 1 . TYR 29 29 5991 1 . THR 30 30 5991 1 . GLY 31 31 5991 1 . SER 32 32 5991 1 . GLY 33 33 5991 1 . PRO 34 34 5991 1 . ILE 35 35 5991 1 . GLN 36 36 5991 1 . LEU 37 37 5991 1 . TRP 38 38 5991 1 . GLN 39 39 5991 1 . PHE 40 40 5991 1 . LEU 41 41 5991 1 . LEU 42 42 5991 1 . GLU 43 43 5991 1 . LEU 44 44 5991 1 . LEU 45 45 5991 1 . THR 46 46 5991 1 . ASP 47 47 5991 1 . LYS 48 48 5991 1 . SER 49 49 5991 1 . CYS 50 50 5991 1 . GLN 51 51 5991 1 . SER 52 52 5991 1 . PHE 53 53 5991 1 . ILE 54 54 5991 1 . SER 55 55 5991 1 . TRP 56 56 5991 1 . THR 57 57 5991 1 . GLY 58 58 5991 1 . ASP 59 59 5991 1 . GLY 60 60 5991 1 . TRP 61 61 5991 1 . GLU 62 62 5991 1 . PHE 63 63 5991 1 . LYS 64 64 5991 1 . LEU 65 65 5991 1 . SER 66 66 5991 1 . ASP 67 67 5991 1 . PRO 68 68 5991 1 . ASP 69 69 5991 1 . GLU 70 70 5991 1 . VAL 71 71 5991 1 . ALA 72 72 5991 1 . ARG 73 73 5991 1 . ARG 74 74 5991 1 . TRP 75 75 5991 1 . GLY 76 76 5991 1 . LYS 77 77 5991 1 . ARG 78 78 5991 1 . LYS 79 79 5991 1 . ASN 80 80 5991 1 . LYS 81 81 5991 1 . PRO 82 82 5991 1 . LYS 83 83 5991 1 . MET 84 84 5991 1 . ASN 85 85 5991 1 . TYR 86 86 5991 1 . GLU 87 87 5991 1 . LYS 88 88 5991 1 . LEU 89 89 5991 1 . SER 90 90 5991 1 . ARG 91 91 5991 1 . GLY 92 92 5991 1 . LEU 93 93 5991 1 . ARG 94 94 5991 1 . TYR 95 95 5991 1 . TYR 96 96 5991 1 . TYR 97 97 5991 1 . ASP 98 98 5991 1 . LYS 99 99 5991 1 . ASN 100 100 5991 1 . ILE 101 101 5991 1 . ILE 102 102 5991 1 . HIS 103 103 5991 1 . LYS 104 104 5991 1 . THR 105 105 5991 1 . ALA 106 106 5991 1 . GLY 107 107 5991 1 . LYS 108 108 5991 1 . ARG 109 109 5991 1 . TYR 110 110 5991 1 . VAL 111 111 5991 1 . TYR 112 112 5991 1 . ARG 113 113 5991 1 . PHE 114 114 5991 1 . VAL 115 115 5991 1 . SER 116 116 5991 1 . ASP 117 117 5991 1 . LEU 118 118 5991 1 . GLN 119 119 5991 1 . SER 120 120 5991 1 . LEU 121 121 5991 1 . LEU 122 122 5991 1 . GLY 123 123 5991 1 . TYR 124 124 5991 1 . THR 125 125 5991 1 . PRO 126 126 5991 1 . GLU 127 127 5991 1 . GLU 128 128 5991 1 . LEU 129 129 5991 1 . HIS 130 130 5991 1 . ALA 131 131 5991 1 . MET 132 132 5991 1 . LEU 133 133 5991 1 . ASP 134 134 5991 1 . VAL 135 135 5991 1 . LYS 136 136 5991 1 . PRO 137 137 5991 1 . ASP 138 138 5991 1 . ALA 139 139 5991 1 . ASP 140 140 5991 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 5991 _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 $Ets-1 . 10090 . . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5991 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 5991 _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 $Ets-1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli HMS174 DE3 . . . . . . . . . . . plasmid . . pET22b . . . . . . 5991 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5991 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Samples irreversibly aggregated at NMR conditions after approximately 1 week.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ets-1 '[U-99% 15N; U-99% 13C]' . . 1 $Ets-1 . . . 0.3 0.8 mM . . . . 5991 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5991 1 3 NaCl . . . . . . . 500 . . mM . . . . 5991 1 4 DTT . . . . . . . 5 . . mM . . . . 5991 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 5991 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5991 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ets-1 '[U-99% 15N]' . . 1 $Ets-1 . . . 0.3 0.8 mM . . . . 5991 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5991 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ets-1 '[U-98% 15N; U-98% 13C; U-97% 2H]' . . 1 $Ets-1 . . . 0.3 0.8 mM . . . . 5991 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5991 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ets-1 '[U-99% 15N; U-10% 13C]' . . 1 $Ets-1 . . . 0.3 0.8 mM . . . . 5991 4 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5991 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Samples were allowed to equilibrate overnight at 4C, then spun down to remove aggregates, before spectra were collected ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 5991 1 temperature 301 1 K 5991 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5991 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5991 1 'peak peaking' 5991 1 'peak assignments' 5991 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5991 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995) ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5991 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5991 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5991 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5991 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5991 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Unity . 500 . . . 5991 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 5991 1 3 NMR_spectrometer_3 Varian Inova . 800 . . . 5991 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 5991 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 2 '1H-13C CT HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 4 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 6 CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 8 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 9 HACAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 11 HCC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 12 HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 13 HNCOCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 14 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 15 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 16 EZ-HMQC-NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 17 'methyl CN NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 18 'simultaneous CN NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5991 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C CT HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HACAN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCOCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name EZ-HMQC-NH2 _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name 'methyl CN NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 5991 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name 'simultaneous CN NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5991 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5991 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5991 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5991 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5991 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5991 1 . . 2 $sample_2 . 5991 1 . . 3 $sample_3 . 5991 1 . . 4 $sample_4 . 5991 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.489 0.050 . 1 . . . . 301 . . . 5991 1 2 . 1 1 1 1 LYS HB2 H 1 1.936 0.050 . 2 . . . . 301 . . . 5991 1 3 . 1 1 1 1 LYS HB3 H 1 1.858 0.050 . 2 . . . . 301 . . . 5991 1 4 . 1 1 1 1 LYS HG2 H 1 1.754 0.050 . 2 . . . . 301 . . . 5991 1 5 . 1 1 1 1 LYS HG3 H 1 1.676 0.050 . 2 . . . . 301 . . . 5991 1 6 . 1 1 1 1 LYS HD2 H 1 1.520 0.050 . 2 . . . . 301 . . . 5991 1 7 . 1 1 1 1 LYS HD3 H 1 1.466 0.050 . 2 . . . . 301 . . . 5991 1 8 . 1 1 1 1 LYS HE2 H 1 3.048 0.050 . 5 . . . . 301 . . . 5991 1 9 . 1 1 1 1 LYS HE3 H 1 2.978 0.050 . 5 . . . . 301 . . . 5991 1 10 . 1 1 1 1 LYS C C 13 177.177 0.300 . 1 . . . . 301 . . . 5991 1 11 . 1 1 1 1 LYS CA C 13 56.715 0.300 . 1 . . . . 301 . . . 5991 1 12 . 1 1 1 1 LYS CB C 13 33.253 0.300 . 1 . . . . 301 . . . 5991 1 13 . 1 1 1 1 LYS CG C 13 29.169 0.300 . 1 . . . . 301 . . . 5991 1 14 . 1 1 1 1 LYS CD C 13 24.649 0.300 . 1 . . . . 301 . . . 5991 1 15 . 1 1 1 1 LYS CE C 13 42.041 0.300 . 5 . . . . 301 . . . 5991 1 16 . 1 1 1 1 LYS N N 15 120.894 0.500 . 9 . . . . 301 . . . 5991 1 17 . 1 1 2 2 GLY H H 1 8.632 0.050 . 1 . . . . 302 . . . 5991 1 18 . 1 1 2 2 GLY HA2 H 1 4.047 0.050 . 2 . . . . 302 . . . 5991 1 19 . 1 1 2 2 GLY HA3 H 1 4.177 0.050 . 2 . . . . 302 . . . 5991 1 20 . 1 1 2 2 GLY C C 13 174.193 0.300 . 1 . . . . 302 . . . 5991 1 21 . 1 1 2 2 GLY CA C 13 45.156 0.300 . 1 . . . . 302 . . . 5991 1 22 . 1 1 2 2 GLY N N 15 110.963 0.500 . 1 . . . . 302 . . . 5991 1 23 . 1 1 3 3 THR H H 1 8.462 0.050 . 1 . . . . 303 . . . 5991 1 24 . 1 1 3 3 THR HA H 1 4.802 0.050 . 1 . . . . 303 . . . 5991 1 25 . 1 1 3 3 THR HB H 1 4.047 0.050 . 1 . . . . 303 . . . 5991 1 26 . 1 1 3 3 THR HG21 H 1 1.286 0.050 . 1 . . . . 303 . . . 5991 1 27 . 1 1 3 3 THR HG22 H 1 1.286 0.050 . 1 . . . . 303 . . . 5991 1 28 . 1 1 3 3 THR HG23 H 1 1.286 0.050 . 1 . . . . 303 . . . 5991 1 29 . 1 1 3 3 THR C C 13 175.744 0.300 . 1 . . . . 303 . . . 5991 1 30 . 1 1 3 3 THR CA C 13 61.004 0.300 . 1 . . . . 303 . . . 5991 1 31 . 1 1 3 3 THR CB C 13 72.052 0.300 . 1 . . . . 303 . . . 5991 1 32 . 1 1 3 3 THR CG2 C 13 21.798 0.300 . 1 . . . . 303 . . . 5991 1 33 . 1 1 3 3 THR N N 15 111.630 0.500 . 1 . . . . 303 . . . 5991 1 34 . 1 1 4 4 PHE H H 1 8.508 0.050 . 1 . . . . 304 . . . 5991 1 35 . 1 1 4 4 PHE HA H 1 4.385 0.050 . 1 . . . . 304 . . . 5991 1 36 . 1 1 4 4 PHE HB2 H 1 3.239 0.050 . 2 . . . . 304 . . . 5991 1 37 . 1 1 4 4 PHE HB3 H 1 2.770 0.050 . 2 . . . . 304 . . . 5991 1 38 . 1 1 4 4 PHE HD1 H 1 6.914 0.050 . 1 . . . . 304 . . . 5991 1 39 . 1 1 4 4 PHE HD2 H 1 6.914 0.050 . 1 . . . . 304 . . . 5991 1 40 . 1 1 4 4 PHE HE1 H 1 7.266 0.050 . 1 . . . . 304 . . . 5991 1 41 . 1 1 4 4 PHE HE2 H 1 7.266 0.050 . 1 . . . . 304 . . . 5991 1 42 . 1 1 4 4 PHE HZ H 1 7.178 0.050 . 1 . . . . 304 . . . 5991 1 43 . 1 1 4 4 PHE C C 13 175.664 0.300 . 1 . . . . 304 . . . 5991 1 44 . 1 1 4 4 PHE CA C 13 60.931 0.300 . 1 . . . . 304 . . . 5991 1 45 . 1 1 4 4 PHE CB C 13 40.046 0.300 . 1 . . . . 304 . . . 5991 1 46 . 1 1 4 4 PHE CD1 C 13 131.710 0.300 . 1 . . . . 304 . . . 5991 1 47 . 1 1 4 4 PHE CD2 C 13 131.710 0.300 . 1 . . . . 304 . . . 5991 1 48 . 1 1 4 4 PHE CE1 C 13 131.167 0.300 . 1 . . . . 304 . . . 5991 1 49 . 1 1 4 4 PHE CE2 C 13 131.167 0.300 . 1 . . . . 304 . . . 5991 1 50 . 1 1 4 4 PHE CZ C 13 129.457 0.300 . 1 . . . . 304 . . . 5991 1 51 . 1 1 4 4 PHE N N 15 121.992 0.500 . 1 . . . . 304 . . . 5991 1 52 . 1 1 5 5 LYS H H 1 7.954 0.050 . 1 . . . . 305 . . . 5991 1 53 . 1 1 5 5 LYS HA H 1 3.786 0.050 . 1 . . . . 305 . . . 5991 1 54 . 1 1 5 5 LYS HB2 H 1 1.598 0.050 . 2 . . . . 305 . . . 5991 1 55 . 1 1 5 5 LYS HB3 H 1 1.520 0.050 . 2 . . . . 305 . . . 5991 1 56 . 1 1 5 5 LYS HG2 H 1 1.259 0.050 . 2 . . . . 305 . . . 5991 1 57 . 1 1 5 5 LYS HG3 H 1 1.129 0.050 . 2 . . . . 305 . . . 5991 1 58 . 1 1 5 5 LYS HD2 H 1 1.103 0.050 . 2 . . . . 305 . . . 5991 1 59 . 1 1 5 5 LYS HD3 H 1 1.181 0.050 . 2 . . . . 305 . . . 5991 1 60 . 1 1 5 5 LYS HE2 H 1 2.614 0.050 . 5 . . . . 305 . . . 5991 1 61 . 1 1 5 5 LYS HE3 H 1 2.460 0.050 . 5 . . . . 305 . . . 5991 1 62 . 1 1 5 5 LYS C C 13 178.214 0.300 . 1 . . . . 305 . . . 5991 1 63 . 1 1 5 5 LYS CA C 13 59.139 0.300 . 1 . . . . 305 . . . 5991 1 64 . 1 1 5 5 LYS CB C 13 32.588 0.300 . 1 . . . . 305 . . . 5991 1 65 . 1 1 5 5 LYS CG C 13 29.790 0.300 . 1 . . . . 305 . . . 5991 1 66 . 1 1 5 5 LYS CD C 13 24.383 0.300 . 1 . . . . 305 . . . 5991 1 67 . 1 1 5 5 LYS CE C 13 41.538 0.300 . 5 . . . . 305 . . . 5991 1 68 . 1 1 5 5 LYS N N 15 118.270 0.500 . 1 . . . . 305 . . . 5991 1 69 . 1 1 6 6 ASP H H 1 7.342 0.050 . 1 . . . . 306 . . . 5991 1 70 . 1 1 6 6 ASP HA H 1 4.333 0.050 . 1 . . . . 306 . . . 5991 1 71 . 1 1 6 6 ASP HB2 H 1 2.848 0.050 . 2 . . . . 306 . . . 5991 1 72 . 1 1 6 6 ASP HB3 H 1 2.744 0.050 . 2 . . . . 306 . . . 5991 1 73 . 1 1 6 6 ASP C C 13 177.074 0.300 . 1 . . . . 306 . . . 5991 1 74 . 1 1 6 6 ASP CA C 13 56.715 0.300 . 1 . . . . 306 . . . 5991 1 75 . 1 1 6 6 ASP CB C 13 41.106 0.300 . 1 . . . . 306 . . . 5991 1 76 . 1 1 6 6 ASP N N 15 116.910 0.500 . 1 . . . . 306 . . . 5991 1 77 . 1 1 7 7 TYR H H 1 7.772 0.050 . 1 . . . . 307 . . . 5991 1 78 . 1 1 7 7 TYR HA H 1 4.255 0.050 . 1 . . . . 307 . . . 5991 1 79 . 1 1 7 7 TYR HB2 H 1 3.032 0.050 . 1 . . . . 307 . . . 5991 1 80 . 1 1 7 7 TYR HB3 H 1 2.874 0.050 . 1 . . . . 307 . . . 5991 1 81 . 1 1 7 7 TYR HD1 H 1 7.002 0.050 . 1 . . . . 307 . . . 5991 1 82 . 1 1 7 7 TYR HD2 H 1 7.002 0.050 . 1 . . . . 307 . . . 5991 1 83 . 1 1 7 7 TYR HE1 H 1 6.938 0.050 . 1 . . . . 307 . . . 5991 1 84 . 1 1 7 7 TYR HE2 H 1 6.938 0.050 . 1 . . . . 307 . . . 5991 1 85 . 1 1 7 7 TYR CA C 13 59.885 0.300 . 1 . . . . 307 . . . 5991 1 86 . 1 1 7 7 TYR CB C 13 38.716 0.300 . 1 . . . . 307 . . . 5991 1 87 . 1 1 7 7 TYR CD1 C 13 133.691 0.300 . 1 . . . . 307 . . . 5991 1 88 . 1 1 7 7 TYR CD2 C 13 133.691 0.300 . 1 . . . . 307 . . . 5991 1 89 . 1 1 7 7 TYR CE1 C 13 118.153 0.300 . 1 . . . . 307 . . . 5991 1 90 . 1 1 7 7 TYR CE2 C 13 118.153 0.300 . 1 . . . . 307 . . . 5991 1 91 . 1 1 7 7 TYR N N 15 121.946 0.500 . 1 . . . . 307 . . . 5991 1 92 . 1 1 8 8 VAL H H 1 7.818 0.050 . 1 . . . . 308 . . . 5991 1 93 . 1 1 8 8 VAL HA H 1 3.656 0.050 . 1 . . . . 308 . . . 5991 1 94 . 1 1 8 8 VAL HB H 1 1.858 0.050 . 1 . . . . 308 . . . 5991 1 95 . 1 1 8 8 VAL HG11 H 1 0.686 0.050 . 1 . . . . 308 . . . 5991 1 96 . 1 1 8 8 VAL HG12 H 1 0.686 0.050 . 1 . . . . 308 . . . 5991 1 97 . 1 1 8 8 VAL HG13 H 1 0.686 0.050 . 1 . . . . 308 . . . 5991 1 98 . 1 1 8 8 VAL HG21 H 1 0.718 0.050 . 1 . . . . 308 . . . 5991 1 99 . 1 1 8 8 VAL HG22 H 1 0.718 0.050 . 1 . . . . 308 . . . 5991 1 100 . 1 1 8 8 VAL HG23 H 1 0.718 0.050 . 1 . . . . 308 . . . 5991 1 101 . 1 1 8 8 VAL C C 13 177.291 0.300 . 1 . . . . 308 . . . 5991 1 102 . 1 1 8 8 VAL CA C 13 63.614 0.300 . 1 . . . . 308 . . . 5991 1 103 . 1 1 8 8 VAL CB C 13 31.698 0.300 . 1 . . . . 308 . . . 5991 1 104 . 1 1 8 8 VAL CG1 C 13 21.707 0.300 . 1 . . . . 308 . . . 5991 1 105 . 1 1 8 8 VAL CG2 C 13 21.270 0.300 . 1 . . . . 308 . . . 5991 1 106 . 1 1 8 8 VAL N N 15 115.467 0.500 . 1 . . . . 308 . . . 5991 1 107 . 1 1 9 9 ARG H H 1 7.446 0.050 . 1 . . . . 309 . . . 5991 1 108 . 1 1 9 9 ARG HA H 1 4.073 0.050 . 1 . . . . 309 . . . 5991 1 109 . 1 1 9 9 ARG HB2 H 1 1.962 0.050 . 2 . . . . 309 . . . 5991 1 110 . 1 1 9 9 ARG HB3 H 1 1.858 0.050 . 2 . . . . 309 . . . 5991 1 111 . 1 1 9 9 ARG HG2 H 1 1.724 0.050 . 2 . . . . 309 . . . 5991 1 112 . 1 1 9 9 ARG HG3 H 1 1.624 0.050 . 2 . . . . 309 . . . 5991 1 113 . 1 1 9 9 ARG HD2 H 1 3.213 0.050 . 2 . . . . 309 . . . 5991 1 114 . 1 1 9 9 ARG HD3 H 1 3.259 0.050 . 2 . . . . 309 . . . 5991 1 115 . 1 1 9 9 ARG HE H 1 7.207 0.050 . 1 . . . . 309 . . . 5991 1 116 . 1 1 9 9 ARG C C 13 177.292 0.300 . 1 . . . . 309 . . . 5991 1 117 . 1 1 9 9 ARG CA C 13 58.579 0.300 . 1 . . . . 309 . . . 5991 1 118 . 1 1 9 9 ARG CB C 13 29.696 0.300 . 1 . . . . 309 . . . 5991 1 119 . 1 1 9 9 ARG CG C 13 26.807 0.300 . 1 . . . . 309 . . . 5991 1 120 . 1 1 9 9 ARG CD C 13 43.260 0.300 . 1 . . . . 309 . . . 5991 1 121 . 1 1 9 9 ARG N N 15 121.969 0.500 . 1 . . . . 309 . . . 5991 1 122 . 1 1 9 9 ARG NE N 15 84.964 0.500 . 1 . . . . 309 . . . 5991 1 123 . 1 1 10 10 ASP H H 1 7.922 0.050 . 1 . . . . 310 . . . 5991 1 124 . 1 1 10 10 ASP HA H 1 4.620 0.050 . 1 . . . . 310 . . . 5991 1 125 . 1 1 10 10 ASP HB2 H 1 2.744 0.050 . 1 . . . . 310 . . . 5991 1 126 . 1 1 10 10 ASP HB3 H 1 2.640 0.050 . 1 . . . . 310 . . . 5991 1 127 . 1 1 10 10 ASP C C 13 176.513 0.300 . 1 . . . . 310 . . . 5991 1 128 . 1 1 10 10 ASP CA C 13 55.036 0.300 . 1 . . . . 310 . . . 5991 1 129 . 1 1 10 10 ASP CB C 13 40.979 0.300 . 1 . . . . 310 . . . 5991 1 130 . 1 1 10 10 ASP N N 15 117.649 0.500 . 1 . . . . 310 . . . 5991 1 131 . 1 1 11 11 ARG H H 1 7.694 0.050 . 1 . . . . 311 . . . 5991 1 132 . 1 1 11 11 ARG HA H 1 4.333 0.050 . 1 . . . . 311 . . . 5991 1 133 . 1 1 11 11 ARG HB2 H 1 1.624 0.050 . 1 . . . . 311 . . . 5991 1 134 . 1 1 11 11 ARG HB3 H 1 1.855 0.050 . 1 . . . . 311 . . . 5991 1 135 . 1 1 11 11 ARG HG2 H 1 1.648 0.050 . 2 . . . . 311 . . . 5991 1 136 . 1 1 11 11 ARG HG3 H 1 1.493 0.050 . 2 . . . . 311 . . . 5991 1 137 . 1 1 11 11 ARG HD2 H 1 2.978 0.050 . 2 . . . . 311 . . . 5991 1 138 . 1 1 11 11 ARG HD3 H 1 2.900 0.050 . 2 . . . . 311 . . . 5991 1 139 . 1 1 11 11 ARG HE H 1 7.511 0.050 . 1 . . . . 311 . . . 5991 1 140 . 1 1 11 11 ARG C C 13 176.268 0.300 . 1 . . . . 311 . . . 5991 1 141 . 1 1 11 11 ARG CA C 13 55.782 0.300 . 1 . . . . 311 . . . 5991 1 142 . 1 1 11 11 ARG CB C 13 30.167 0.300 . 1 . . . . 311 . . . 5991 1 143 . 1 1 11 11 ARG CG C 13 26.801 0.300 . 1 . . . . 311 . . . 5991 1 144 . 1 1 11 11 ARG CD C 13 42.779 0.300 . 1 . . . . 311 . . . 5991 1 145 . 1 1 11 11 ARG N N 15 120.108 0.500 . 1 . . . . 311 . . . 5991 1 146 . 1 1 11 11 ARG NE N 15 84.840 0.500 . 1 . . . . 311 . . . 5991 1 147 . 1 1 12 12 ALA H H 1 8.130 0.050 . 1 . . . . 312 . . . 5991 1 148 . 1 1 12 12 ALA HA H 1 4.255 0.050 . 1 . . . . 312 . . . 5991 1 149 . 1 1 12 12 ALA HB1 H 1 1.435 0.050 . 1 . . . . 312 . . . 5991 1 150 . 1 1 12 12 ALA HB2 H 1 1.435 0.050 . 1 . . . . 312 . . . 5991 1 151 . 1 1 12 12 ALA HB3 H 1 1.435 0.050 . 1 . . . . 312 . . . 5991 1 152 . 1 1 12 12 ALA C C 13 177.723 0.300 . 1 . . . . 312 . . . 5991 1 153 . 1 1 12 12 ALA CA C 13 53.544 0.300 . 1 . . . . 312 . . . 5991 1 154 . 1 1 12 12 ALA CB C 13 19.085 0.300 . 1 . . . . 312 . . . 5991 1 155 . 1 1 12 12 ALA N N 15 124.404 0.500 . 1 . . . . 312 . . . 5991 1 156 . 1 1 13 13 ASP H H 1 8.443 0.050 . 1 . . . . 313 . . . 5991 1 157 . 1 1 13 13 ASP HA H 1 4.594 0.050 . 1 . . . . 313 . . . 5991 1 158 . 1 1 13 13 ASP HB2 H 1 2.718 0.050 . 2 . . . . 313 . . . 5991 1 159 . 1 1 13 13 ASP HB3 H 1 2.614 0.050 . 2 . . . . 313 . . . 5991 1 160 . 1 1 13 13 ASP C C 13 176.580 0.300 . 1 . . . . 313 . . . 5991 1 161 . 1 1 13 13 ASP CA C 13 54.477 0.300 . 1 . . . . 313 . . . 5991 1 162 . 1 1 13 13 ASP CB C 13 40.600 0.300 . 1 . . . . 313 . . . 5991 1 163 . 1 1 13 13 ASP N N 15 117.397 0.500 . 1 . . . . 313 . . . 5991 1 164 . 1 1 14 14 LEU H H 1 7.954 0.050 . 1 . . . . 314 . . . 5991 1 165 . 1 1 14 14 LEU HA H 1 4.359 0.050 . 1 . . . . 314 . . . 5991 1 166 . 1 1 14 14 LEU HB2 H 1 1.728 0.050 . 1 . . . . 314 . . . 5991 1 167 . 1 1 14 14 LEU HB3 H 1 1.650 0.050 . 1 . . . . 314 . . . 5991 1 168 . 1 1 14 14 LEU HG H 1 1.676 0.050 . 1 . . . . 314 . . . 5991 1 169 . 1 1 14 14 LEU HD11 H 1 0.946 0.050 . 1 . . . . 314 . . . 5991 1 170 . 1 1 14 14 LEU HD12 H 1 0.946 0.050 . 1 . . . . 314 . . . 5991 1 171 . 1 1 14 14 LEU HD13 H 1 0.946 0.050 . 1 . . . . 314 . . . 5991 1 172 . 1 1 14 14 LEU HD21 H 1 0.901 0.050 . 1 . . . . 314 . . . 5991 1 173 . 1 1 14 14 LEU HD22 H 1 0.901 0.050 . 1 . . . . 314 . . . 5991 1 174 . 1 1 14 14 LEU HD23 H 1 0.901 0.050 . 1 . . . . 314 . . . 5991 1 175 . 1 1 14 14 LEU C C 13 177.227 0.300 . 1 . . . . 314 . . . 5991 1 176 . 1 1 14 14 LEU CA C 13 55.596 0.300 . 1 . . . . 314 . . . 5991 1 177 . 1 1 14 14 LEU CB C 13 41.828 0.300 . 1 . . . . 314 . . . 5991 1 178 . 1 1 14 14 LEU CG C 13 26.826 0.300 . 1 . . . . 314 . . . 5991 1 179 . 1 1 14 14 LEU CD1 C 13 25.466 0.300 . 1 . . . . 314 . . . 5991 1 180 . 1 1 14 14 LEU CD2 C 13 23.456 0.300 . 1 . . . . 314 . . . 5991 1 181 . 1 1 14 14 LEU N N 15 121.211 0.500 . 1 . . . . 314 . . . 5991 1 182 . 1 1 15 15 ASN H H 1 8.130 0.050 . 1 . . . . 315 . . . 5991 1 183 . 1 1 15 15 ASN HA H 1 4.724 0.050 . 1 . . . . 315 . . . 5991 1 184 . 1 1 15 15 ASN HB2 H 1 2.874 0.050 . 2 . . . . 315 . . . 5991 1 185 . 1 1 15 15 ASN HB3 H 1 2.796 0.050 . 2 . . . . 315 . . . 5991 1 186 . 1 1 15 15 ASN HD21 H 1 7.739 0.050 . 1 . . . . 315 . . . 5991 1 187 . 1 1 15 15 ASN HD22 H 1 6.945 0.050 . 1 . . . . 315 . . . 5991 1 188 . 1 1 15 15 ASN C C 13 175.584 0.300 . 1 . . . . 315 . . . 5991 1 189 . 1 1 15 15 ASN CA C 13 53.358 0.300 . 1 . . . . 315 . . . 5991 1 190 . 1 1 15 15 ASN CB C 13 38.989 0.300 . 1 . . . . 315 . . . 5991 1 191 . 1 1 15 15 ASN CG C 13 177.011 0.300 . 1 . . . . 315 . . . 5991 1 192 . 1 1 15 15 ASN N N 15 118.178 0.500 . 1 . . . . 315 . . . 5991 1 193 . 1 1 15 15 ASN ND2 N 15 112.893 0.500 . 1 . . . . 315 . . . 5991 1 194 . 1 1 16 16 LYS H H 1 8.163 0.050 . 1 . . . . 316 . . . 5991 1 195 . 1 1 16 16 LYS HA H 1 4.333 0.050 . 1 . . . . 316 . . . 5991 1 196 . 1 1 16 16 LYS HB2 H 1 1.910 0.050 . 2 . . . . 316 . . . 5991 1 197 . 1 1 16 16 LYS HB3 H 1 1.858 0.050 . 2 . . . . 316 . . . 5991 1 198 . 1 1 16 16 LYS HG2 H 1 1.800 0.050 . 2 . . . . 316 . . . 5991 1 199 . 1 1 16 16 LYS HG3 H 1 1.728 0.050 . 2 . . . . 316 . . . 5991 1 200 . 1 1 16 16 LYS HD2 H 1 1.546 0.050 . 2 . . . . 316 . . . 5991 1 201 . 1 1 16 16 LYS HD3 H 1 1.467 0.050 . 2 . . . . 316 . . . 5991 1 202 . 1 1 16 16 LYS HE2 H 1 3.057 0.050 . 1 . . . . 316 . . . 5991 1 203 . 1 1 16 16 LYS HE3 H 1 3.057 0.050 . 1 . . . . 316 . . . 5991 1 204 . 1 1 16 16 LYS C C 13 176.335 0.300 . 1 . . . . 316 . . . 5991 1 205 . 1 1 16 16 LYS CA C 13 57.274 0.300 . 1 . . . . 316 . . . 5991 1 206 . 1 1 16 16 LYS CB C 13 32.527 0.300 . 1 . . . . 316 . . . 5991 1 207 . 1 1 16 16 LYS CG C 13 28.959 0.300 . 1 . . . . 316 . . . 5991 1 208 . 1 1 16 16 LYS CD C 13 24.440 0.300 . 1 . . . . 316 . . . 5991 1 209 . 1 1 16 16 LYS CE C 13 42.058 0.300 . 1 . . . . 316 . . . 5991 1 210 . 1 1 16 16 LYS N N 15 121.023 0.500 . 1 . . . . 316 . . . 5991 1 211 . 1 1 17 17 ASP H H 1 8.456 0.050 . 1 . . . . 317 . . . 5991 1 212 . 1 1 17 17 ASP HA H 1 4.698 0.050 . 1 . . . . 317 . . . 5991 1 213 . 1 1 17 17 ASP HB2 H 1 2.796 0.050 . 2 . . . . 317 . . . 5991 1 214 . 1 1 17 17 ASP HB3 H 1 2.718 0.050 . 2 . . . . 317 . . . 5991 1 215 . 1 1 17 17 ASP C C 13 175.385 0.300 . 1 . . . . 317 . . . 5991 1 216 . 1 1 17 17 ASP CA C 13 54.416 0.300 . 1 . . . . 317 . . . 5991 1 217 . 1 1 17 17 ASP CB C 13 40.607 0.300 . 1 . . . . 317 . . . 5991 1 218 . 1 1 17 17 ASP N N 15 119.970 0.500 . 1 . . . . 317 . . . 5991 1 219 . 1 1 18 18 LYS H H 1 7.798 0.050 . 9 . . . . 318 . . . 5991 1 220 . 1 1 18 18 LYS HA H 1 4.724 0.050 . 1 . . . . 318 . . . 5991 1 221 . 1 1 18 18 LYS HB2 H 1 1.894 0.050 . 2 . . . . 318 . . . 5991 1 222 . 1 1 18 18 LYS HB3 H 1 1.936 0.050 . 2 . . . . 318 . . . 5991 1 223 . 1 1 18 18 LYS HG2 H 1 1.780 0.050 . 2 . . . . 318 . . . 5991 1 224 . 1 1 18 18 LYS HG3 H 1 1.728 0.050 . 2 . . . . 318 . . . 5991 1 225 . 1 1 18 18 LYS HD2 H 1 1.540 0.050 . 2 . . . . 318 . . . 5991 1 226 . 1 1 18 18 LYS HD3 H 1 1.467 0.050 . 2 . . . . 318 . . . 5991 1 227 . 1 1 18 18 LYS HE2 H 1 3.065 0.050 . 5 . . . . 318 . . . 5991 1 228 . 1 1 18 18 LYS HE3 H 1 3.065 0.050 . 5 . . . . 318 . . . 5991 1 229 . 1 1 18 18 LYS CA C 13 54.663 0.300 . 1 . . . . 318 . . . 5991 1 230 . 1 1 18 18 LYS CB C 13 31.609 0.300 . 1 . . . . 318 . . . 5991 1 231 . 1 1 18 18 LYS CG C 13 29.045 0.300 . 1 . . . . 318 . . . 5991 1 232 . 1 1 18 18 LYS CD C 13 24.570 0.300 . 1 . . . . 318 . . . 5991 1 233 . 1 1 18 18 LYS CE C 13 42.147 0.300 . 5 . . . . 318 . . . 5991 1 234 . 1 1 18 18 LYS N N 15 120.476 0.500 . 9 . . . . 318 . . . 5991 1 235 . 1 1 19 19 PRO HA H 1 4.568 0.050 . 9 . . . . 319 . . . 5991 1 236 . 1 1 19 19 PRO HB2 H 1 2.379 0.050 . 9 . . . . 319 . . . 5991 1 237 . 1 1 19 19 PRO HB3 H 1 2.200 0.050 . 9 . . . . 319 . . . 5991 1 238 . 1 1 19 19 PRO HG2 H 1 1.988 0.050 . 9 . . . . 319 . . . 5991 1 239 . 1 1 19 19 PRO HG3 H 1 1.389 0.050 . 9 . . . . 319 . . . 5991 1 240 . 1 1 19 19 PRO HD2 H 1 3.942 0.050 . 9 . . . . 319 . . . 5991 1 241 . 1 1 19 19 PRO HD3 H 1 3.541 0.050 . 9 . . . . 319 . . . 5991 1 242 . 1 1 19 19 PRO C C 13 176.147 0.300 . 9 . . . . 319 . . . 5991 1 243 . 1 1 19 19 PRO CA C 13 62.869 0.300 . 9 . . . . 319 . . . 5991 1 244 . 1 1 19 19 PRO CB C 13 31.822 0.300 . 9 . . . . 319 . . . 5991 1 245 . 1 1 19 19 PRO CG C 13 27.994 0.300 . 9 . . . . 319 . . . 5991 1 246 . 1 1 19 19 PRO CD C 13 50.489 0.300 . 9 . . . . 319 . . . 5991 1 247 . 1 1 19 19 PRO N N 15 135.162 0.500 . 9 . . . . 319 . . . 5991 1 248 . 1 1 20 20 VAL H H 1 8.026 0.050 . 1 . . . . 320 . . . 5991 1 249 . 1 1 20 20 VAL HA H 1 4.073 0.050 . 1 . . . . 320 . . . 5991 1 250 . 1 1 20 20 VAL HB H 1 1.884 0.050 . 1 . . . . 320 . . . 5991 1 251 . 1 1 20 20 VAL HG11 H 1 0.959 0.050 . 1 . . . . 320 . . . 5991 1 252 . 1 1 20 20 VAL HG12 H 1 0.959 0.050 . 1 . . . . 320 . . . 5991 1 253 . 1 1 20 20 VAL HG13 H 1 0.959 0.050 . 1 . . . . 320 . . . 5991 1 254 . 1 1 20 20 VAL HG21 H 1 1.226 0.050 . 1 . . . . 320 . . . 5991 1 255 . 1 1 20 20 VAL HG22 H 1 1.226 0.050 . 1 . . . . 320 . . . 5991 1 256 . 1 1 20 20 VAL HG23 H 1 1.226 0.050 . 1 . . . . 320 . . . 5991 1 257 . 1 1 20 20 VAL CA C 13 62.682 0.300 . 1 . . . . 320 . . . 5991 1 258 . 1 1 20 20 VAL CB C 13 32.289 0.300 . 1 . . . . 320 . . . 5991 1 259 . 1 1 20 20 VAL CG1 C 13 21.678 0.300 . 1 . . . . 320 . . . 5991 1 260 . 1 1 20 20 VAL CG2 C 13 21.911 0.300 . 1 . . . . 320 . . . 5991 1 261 . 1 1 20 20 VAL N N 15 120.380 0.500 . 1 . . . . 320 . . . 5991 1 262 . 1 1 21 21 ILE H H 1 7.807 0.050 . 9 . . . . 321 . . . 5991 1 263 . 1 1 21 21 ILE HA H 1 4.518 0.050 . 1 . . . . 321 . . . 5991 1 264 . 1 1 21 21 ILE HB H 1 1.817 0.050 . 1 . . . . 321 . . . 5991 1 265 . 1 1 21 21 ILE HG12 H 1 1.366 0.050 . 2 . . . . 321 . . . 5991 1 266 . 1 1 21 21 ILE HG13 H 1 1.158 0.050 . 2 . . . . 321 . . . 5991 1 267 . 1 1 21 21 ILE HG21 H 1 0.399 0.050 . 1 . . . . 321 . . . 5991 1 268 . 1 1 21 21 ILE HG22 H 1 0.399 0.050 . 1 . . . . 321 . . . 5991 1 269 . 1 1 21 21 ILE HG23 H 1 0.399 0.050 . 1 . . . . 321 . . . 5991 1 270 . 1 1 21 21 ILE HD11 H 1 0.855 0.050 . 1 . . . . 321 . . . 5991 1 271 . 1 1 21 21 ILE HD12 H 1 0.855 0.050 . 1 . . . . 321 . . . 5991 1 272 . 1 1 21 21 ILE HD13 H 1 0.855 0.050 . 1 . . . . 321 . . . 5991 1 273 . 1 1 21 21 ILE CA C 13 56.901 0.300 . 1 . . . . 321 . . . 5991 1 274 . 1 1 21 21 ILE CB C 13 36.886 0.300 . 1 . . . . 321 . . . 5991 1 275 . 1 1 21 21 ILE CG1 C 13 26.592 0.300 . 1 . . . . 321 . . . 5991 1 276 . 1 1 21 21 ILE CG2 C 13 18.473 0.300 . 1 . . . . 321 . . . 5991 1 277 . 1 1 21 21 ILE CD1 C 13 14.190 0.300 . 1 . . . . 321 . . . 5991 1 278 . 1 1 21 21 ILE N N 15 123.344 0.500 . 9 . . . . 321 . . . 5991 1 279 . 1 1 22 22 PRO HA H 1 4.454 0.050 . 9 . . . . 322 . . . 5991 1 280 . 1 1 22 22 PRO HB2 H 1 2.320 0.050 . 9 . . . . 322 . . . 5991 1 281 . 1 1 22 22 PRO HB3 H 1 1.962 0.050 . 9 . . . . 322 . . . 5991 1 282 . 1 1 22 22 PRO HG2 H 1 2.060 0.050 . 9 . . . . 322 . . . 5991 1 283 . 1 1 22 22 PRO HG3 H 1 2.060 0.050 . 9 . . . . 322 . . . 5991 1 284 . 1 1 22 22 PRO HD2 H 1 3.840 0.050 . 9 . . . . 322 . . . 5991 1 285 . 1 1 22 22 PRO HD3 H 1 3.703 0.050 . 9 . . . . 322 . . . 5991 1 286 . 1 1 22 22 PRO CA C 13 63.245 0.300 . 9 . . . . 322 . . . 5991 1 287 . 1 1 22 22 PRO CB C 13 32.215 0.300 . 9 . . . . 322 . . . 5991 1 288 . 1 1 22 22 PRO CG C 13 27.180 0.300 . 9 . . . . 322 . . . 5991 1 289 . 1 1 22 22 PRO CD C 13 50.675 0.300 . 9 . . . . 322 . . . 5991 1 290 . 1 1 22 22 PRO N N 15 137.218 0.500 . 9 . . . . 322 . . . 5991 1 291 . 1 1 23 23 ALA H H 1 6.732 0.050 . 9 . . . . 323 . . . 5991 1 292 . 1 1 23 23 ALA HA H 1 4.122 0.050 . 9 . . . . 323 . . . 5991 1 293 . 1 1 23 23 ALA HB1 H 1 1.403 0.050 . 9 . . . . 323 . . . 5991 1 294 . 1 1 23 23 ALA HB2 H 1 1.403 0.050 . 9 . . . . 323 . . . 5991 1 295 . 1 1 23 23 ALA HB3 H 1 1.403 0.050 . 9 . . . . 323 . . . 5991 1 296 . 1 1 23 23 ALA C C 13 179.338 0.300 . 9 . . . . 323 . . . 5991 1 297 . 1 1 23 23 ALA CA C 13 55.150 0.300 . 9 . . . . 323 . . . 5991 1 298 . 1 1 23 23 ALA CB C 13 18.098 0.300 . 9 . . . . 323 . . . 5991 1 299 . 1 1 24 24 ALA H H 1 9.244 0.050 . 1 . . . . 324 . . . 5991 1 300 . 1 1 24 24 ALA HA H 1 4.021 0.050 . 1 . . . . 324 . . . 5991 1 301 . 1 1 24 24 ALA HB1 H 1 1.480 0.050 . 1 . . . . 324 . . . 5991 1 302 . 1 1 24 24 ALA HB2 H 1 1.480 0.050 . 1 . . . . 324 . . . 5991 1 303 . 1 1 24 24 ALA HB3 H 1 1.480 0.050 . 1 . . . . 324 . . . 5991 1 304 . 1 1 24 24 ALA C C 13 180.750 0.300 . 1 . . . . 324 . . . 5991 1 305 . 1 1 24 24 ALA CA C 13 54.591 0.300 . 1 . . . . 324 . . . 5991 1 306 . 1 1 24 24 ALA CB C 13 18.153 0.300 . 1 . . . . 324 . . . 5991 1 307 . 1 1 24 24 ALA N N 15 118.178 0.500 . 1 . . . . 324 . . . 5991 1 308 . 1 1 25 25 ALA H H 1 7.088 0.050 . 1 . . . . 325 . . . 5991 1 309 . 1 1 25 25 ALA HA H 1 4.574 0.050 . 1 . . . . 325 . . . 5991 1 310 . 1 1 25 25 ALA HB1 H 1 1.754 0.050 . 1 . . . . 325 . . . 5991 1 311 . 1 1 25 25 ALA HB2 H 1 1.754 0.050 . 1 . . . . 325 . . . 5991 1 312 . 1 1 25 25 ALA HB3 H 1 1.754 0.050 . 1 . . . . 325 . . . 5991 1 313 . 1 1 25 25 ALA C C 13 179.535 0.300 . 1 . . . . 325 . . . 5991 1 314 . 1 1 25 25 ALA CA C 13 54.290 0.300 . 1 . . . . 325 . . . 5991 1 315 . 1 1 25 25 ALA CB C 13 18.794 0.300 . 1 . . . . 325 . . . 5991 1 316 . 1 1 25 25 ALA N N 15 119.866 0.500 . 1 . . . . 325 . . . 5991 1 317 . 1 1 26 26 LEU H H 1 8.085 0.050 . 1 . . . . 326 . . . 5991 1 318 . 1 1 26 26 LEU HA H 1 4.073 0.050 . 1 . . . . 326 . . . 5991 1 319 . 1 1 26 26 LEU HB2 H 1 1.467 0.050 . 1 . . . . 326 . . . 5991 1 320 . 1 1 26 26 LEU HB3 H 1 1.233 0.050 . 1 . . . . 326 . . . 5991 1 321 . 1 1 26 26 LEU HG H 1 1.259 0.050 . 1 . . . . 326 . . . 5991 1 322 . 1 1 26 26 LEU HD11 H 1 0.549 0.050 . 1 . . . . 326 . . . 5991 1 323 . 1 1 26 26 LEU HD12 H 1 0.549 0.050 . 1 . . . . 326 . . . 5991 1 324 . 1 1 26 26 LEU HD13 H 1 0.549 0.050 . 1 . . . . 326 . . . 5991 1 325 . 1 1 26 26 LEU HD21 H 1 0.497 0.050 . 1 . . . . 326 . . . 5991 1 326 . 1 1 26 26 LEU HD22 H 1 0.497 0.050 . 1 . . . . 326 . . . 5991 1 327 . 1 1 26 26 LEU HD23 H 1 0.497 0.050 . 1 . . . . 326 . . . 5991 1 328 . 1 1 26 26 LEU C C 13 179.070 0.300 . 1 . . . . 326 . . . 5991 1 329 . 1 1 26 26 LEU CA C 13 57.388 0.300 . 1 . . . . 326 . . . 5991 1 330 . 1 1 26 26 LEU CB C 13 41.165 0.300 . 1 . . . . 326 . . . 5991 1 331 . 1 1 26 26 LEU CG C 13 26.434 0.300 . 1 . . . . 326 . . . 5991 1 332 . 1 1 26 26 LEU CD1 C 13 23.922 0.300 . 1 . . . . 326 . . . 5991 1 333 . 1 1 26 26 LEU CD2 C 13 26.078 0.300 . 1 . . . . 326 . . . 5991 1 334 . 1 1 26 26 LEU N N 15 121.151 0.500 . 1 . . . . 326 . . . 5991 1 335 . 1 1 27 27 ALA H H 1 8.729 0.050 . 1 . . . . 327 . . . 5991 1 336 . 1 1 27 27 ALA HA H 1 4.164 0.050 . 1 . . . . 327 . . . 5991 1 337 . 1 1 27 27 ALA HB1 H 1 1.415 0.050 . 1 . . . . 327 . . . 5991 1 338 . 1 1 27 27 ALA HB2 H 1 1.415 0.050 . 1 . . . . 327 . . . 5991 1 339 . 1 1 27 27 ALA HB3 H 1 1.415 0.050 . 1 . . . . 327 . . . 5991 1 340 . 1 1 27 27 ALA C C 13 180.441 0.300 . 1 . . . . 327 . . . 5991 1 341 . 1 1 27 27 ALA CA C 13 55.409 0.300 . 1 . . . . 327 . . . 5991 1 342 . 1 1 27 27 ALA CB C 13 19.376 0.300 . 1 . . . . 327 . . . 5991 1 343 . 1 1 27 27 ALA N N 15 123.593 0.500 . 1 . . . . 327 . . . 5991 1 344 . 1 1 28 28 GLY H H 1 7.915 0.050 . 1 . . . . 328 . . . 5991 1 345 . 1 1 28 28 GLY HA2 H 1 4.073 0.050 . 2 . . . . 328 . . . 5991 1 346 . 1 1 28 28 GLY HA3 H 1 3.968 0.050 . 2 . . . . 328 . . . 5991 1 347 . 1 1 28 28 GLY C C 13 175.906 0.300 . 1 . . . . 328 . . . 5991 1 348 . 1 1 28 28 GLY CA C 13 46.795 0.300 . 1 . . . . 328 . . . 5991 1 349 . 1 1 28 28 GLY N N 15 106.115 0.500 . 1 . . . . 328 . . . 5991 1 350 . 1 1 29 29 TYR H H 1 8.397 0.050 . 1 . . . . 329 . . . 5991 1 351 . 1 1 29 29 TYR HA H 1 3.942 0.050 . 1 . . . . 329 . . . 5991 1 352 . 1 1 29 29 TYR HB2 H 1 3.030 0.050 . 2 . . . . 329 . . . 5991 1 353 . 1 1 29 29 TYR HB3 H 1 2.848 0.050 . 2 . . . . 329 . . . 5991 1 354 . 1 1 29 29 TYR HD1 H 1 6.679 0.050 . 1 . . . . 329 . . . 5991 1 355 . 1 1 29 29 TYR HD2 H 1 6.679 0.050 . 1 . . . . 329 . . . 5991 1 356 . 1 1 29 29 TYR HE1 H 1 6.748 0.050 . 1 . . . . 329 . . . 5991 1 357 . 1 1 29 29 TYR HE2 H 1 6.748 0.050 . 1 . . . . 329 . . . 5991 1 358 . 1 1 29 29 TYR CA C 13 60.071 0.300 . 1 . . . . 329 . . . 5991 1 359 . 1 1 29 29 TYR CB C 13 39.256 0.300 . 1 . . . . 329 . . . 5991 1 360 . 1 1 29 29 TYR CD1 C 13 132.992 0.300 . 1 . . . . 329 . . . 5991 1 361 . 1 1 29 29 TYR CD2 C 13 132.992 0.300 . 1 . . . . 329 . . . 5991 1 362 . 1 1 29 29 TYR CE1 C 13 117.803 0.300 . 1 . . . . 329 . . . 5991 1 363 . 1 1 29 29 TYR CE2 C 13 117.803 0.300 . 1 . . . . 329 . . . 5991 1 364 . 1 1 29 29 TYR N N 15 122.451 0.500 . 1 . . . . 329 . . . 5991 1 365 . 1 1 30 30 THR H H 1 8.046 0.050 . 9 . . . . 330 . . . 5991 1 366 . 1 1 30 30 THR HA H 1 4.047 0.050 . 1 . . . . 330 . . . 5991 1 367 . 1 1 30 30 THR HB H 1 4.463 0.050 . 1 . . . . 330 . . . 5991 1 368 . 1 1 30 30 THR HG21 H 1 1.415 0.050 . 1 . . . . 330 . . . 5991 1 369 . 1 1 30 30 THR HG22 H 1 1.415 0.050 . 1 . . . . 330 . . . 5991 1 370 . 1 1 30 30 THR HG23 H 1 1.415 0.050 . 1 . . . . 330 . . . 5991 1 371 . 1 1 30 30 THR C C 13 175.734 0.300 . 1 . . . . 330 . . . 5991 1 372 . 1 1 30 30 THR CA C 13 62.309 0.300 . 1 . . . . 330 . . . 5991 1 373 . 1 1 30 30 THR CB C 13 70.627 0.300 . 1 . . . . 330 . . . 5991 1 374 . 1 1 30 30 THR CG2 C 13 22.931 0.300 . 1 . . . . 330 . . . 5991 1 375 . 1 1 30 30 THR N N 15 107.012 0.500 . 9 . . . . 330 . . . 5991 1 376 . 1 1 31 31 GLY H H 1 7.746 0.050 . 1 . . . . 331 . . . 5991 1 377 . 1 1 31 31 GLY HA2 H 1 4.074 0.050 . 2 . . . . 331 . . . 5991 1 378 . 1 1 31 31 GLY HA3 H 1 4.020 0.050 . 2 . . . . 331 . . . 5991 1 379 . 1 1 31 31 GLY C C 13 175.282 0.300 . 1 . . . . 331 . . . 5991 1 380 . 1 1 31 31 GLY CA C 13 46.332 0.300 . 1 . . . . 331 . . . 5991 1 381 . 1 1 31 31 GLY N N 15 111.239 0.500 . 1 . . . . 331 . . . 5991 1 382 . 1 1 32 32 SER H H 1 8.254 0.050 . 1 . . . . 332 . . . 5991 1 383 . 1 1 32 32 SER HA H 1 4.359 0.050 . 1 . . . . 332 . . . 5991 1 384 . 1 1 32 32 SER HB2 H 1 4.073 0.050 . 1 . . . . 332 . . . 5991 1 385 . 1 1 32 32 SER HB3 H 1 3.864 0.050 . 1 . . . . 332 . . . 5991 1 386 . 1 1 32 32 SER C C 13 174.534 0.300 . 1 . . . . 332 . . . 5991 1 387 . 1 1 32 32 SER CA C 13 59.512 0.300 . 1 . . . . 332 . . . 5991 1 388 . 1 1 32 32 SER CB C 13 63.935 0.300 . 1 . . . . 332 . . . 5991 1 389 . 1 1 32 32 SER N N 15 113.858 0.500 . 1 . . . . 332 . . . 5991 1 390 . 1 1 33 33 GLY H H 1 8.280 0.050 . 1 . . . . 333 . . . 5991 1 391 . 1 1 33 33 GLY HA2 H 1 4.359 0.050 . 2 . . . . 333 . . . 5991 1 392 . 1 1 33 33 GLY HA3 H 1 3.734 0.050 . 2 . . . . 333 . . . 5991 1 393 . 1 1 33 33 GLY CA C 13 44.190 0.300 . 1 . . . . 333 . . . 5991 1 394 . 1 1 33 33 GLY N N 15 111.997 0.500 . 1 . . . . 333 . . . 5991 1 395 . 1 1 34 34 PRO HA H 1 4.463 0.050 . 1 . . . . 334 . . . 5991 1 396 . 1 1 34 34 PRO HB2 H 1 2.327 0.050 . 2 . . . . 334 . . . 5991 1 397 . 1 1 34 34 PRO HB3 H 1 1.702 0.050 . 2 . . . . 334 . . . 5991 1 398 . 1 1 34 34 PRO HG2 H 1 2.060 0.050 . 2 . . . . 334 . . . 5991 1 399 . 1 1 34 34 PRO HG3 H 1 1.988 0.050 . 2 . . . . 334 . . . 5991 1 400 . 1 1 34 34 PRO HD2 H 1 3.860 0.050 . 2 . . . . 334 . . . 5991 1 401 . 1 1 34 34 PRO HD3 H 1 3.708 0.050 . 2 . . . . 334 . . . 5991 1 402 . 1 1 34 34 PRO CA C 13 62.496 0.300 . 1 . . . . 334 . . . 5991 1 403 . 1 1 34 34 PRO CB C 13 32.534 0.300 . 1 . . . . 334 . . . 5991 1 404 . 1 1 34 34 PRO CG C 13 27.532 0.300 . 1 . . . . 334 . . . 5991 1 405 . 1 1 34 34 PRO CD C 13 50.359 0.300 . 1 . . . . 334 . . . 5991 1 406 . 1 1 34 34 PRO C C 13 176.948 0.300 . 1 . . . . 334 . . . 5991 1 407 . 1 1 34 34 PRO N N 15 136.318 0.500 . 1 . . . . 334 . . . 5991 1 408 . 1 1 35 35 ILE H H 1 8.189 0.050 . 1 . . . . 335 . . . 5991 1 409 . 1 1 35 35 ILE HA H 1 4.043 0.050 . 1 . . . . 335 . . . 5991 1 410 . 1 1 35 35 ILE HB H 1 1.702 0.050 . 1 . . . . 335 . . . 5991 1 411 . 1 1 35 35 ILE HG12 H 1 1.598 0.050 . 2 . . . . 335 . . . 5991 1 412 . 1 1 35 35 ILE HG13 H 1 1.181 0.050 . 2 . . . . 335 . . . 5991 1 413 . 1 1 35 35 ILE HG21 H 1 0.992 0.050 . 1 . . . . 335 . . . 5991 1 414 . 1 1 35 35 ILE HG22 H 1 0.992 0.050 . 1 . . . . 335 . . . 5991 1 415 . 1 1 35 35 ILE HG23 H 1 0.992 0.050 . 1 . . . . 335 . . . 5991 1 416 . 1 1 35 35 ILE HD11 H 1 0.920 0.050 . 1 . . . . 335 . . . 5991 1 417 . 1 1 35 35 ILE HD12 H 1 0.920 0.050 . 1 . . . . 335 . . . 5991 1 418 . 1 1 35 35 ILE HD13 H 1 0.920 0.050 . 1 . . . . 335 . . . 5991 1 419 . 1 1 35 35 ILE C C 13 175.887 0.300 . 1 . . . . 335 . . . 5991 1 420 . 1 1 35 35 ILE CA C 13 62.418 0.300 . 1 . . . . 335 . . . 5991 1 421 . 1 1 35 35 ILE CB C 13 38.954 0.300 . 1 . . . . 335 . . . 5991 1 422 . 1 1 35 35 ILE CG1 C 13 27.628 0.300 . 1 . . . . 335 . . . 5991 1 423 . 1 1 35 35 ILE CG2 C 13 17.890 0.300 . 1 . . . . 335 . . . 5991 1 424 . 1 1 35 35 ILE CD1 C 13 14.510 0.300 . 1 . . . . 335 . . . 5991 1 425 . 1 1 35 35 ILE N N 15 119.350 0.500 . 1 . . . . 335 . . . 5991 1 426 . 1 1 36 36 GLN H H 1 8.189 0.050 . 1 . . . . 336 . . . 5991 1 427 . 1 1 36 36 GLN HA H 1 4.880 0.050 . 1 . . . . 336 . . . 5991 1 428 . 1 1 36 36 GLN HB2 H 1 2.483 0.050 . 2 . . . . 336 . . . 5991 1 429 . 1 1 36 36 GLN HB3 H 1 1.025 0.050 . 2 . . . . 336 . . . 5991 1 430 . 1 1 36 36 GLN HG2 H 1 2.666 0.050 . 2 . . . . 336 . . . 5991 1 431 . 1 1 36 36 GLN HG3 H 1 2.514 0.050 . 2 . . . . 336 . . . 5991 1 432 . 1 1 36 36 GLN HE21 H 1 7.635 0.050 . 1 . . . . 336 . . . 5991 1 433 . 1 1 36 36 GLN HE22 H 1 7.310 0.050 . 1 . . . . 336 . . . 5991 1 434 . 1 1 36 36 GLN C C 13 177.802 0.300 . 1 . . . . 336 . . . 5991 1 435 . 1 1 36 36 GLN CA C 13 52.985 0.300 . 1 . . . . 336 . . . 5991 1 436 . 1 1 36 36 GLN CB C 13 32.773 0.300 . 1 . . . . 336 . . . 5991 1 437 . 1 1 36 36 GLN CG C 13 33.706 0.300 . 1 . . . . 336 . . . 5991 1 438 . 1 1 36 36 GLN CD C 13 172.167 0.300 . 1 . . . . 336 . . . 5991 1 439 . 1 1 36 36 GLN N N 15 122.888 0.500 . 1 . . . . 336 . . . 5991 1 440 . 1 1 36 36 GLN NE2 N 15 114.823 0.500 . 1 . . . . 336 . . . 5991 1 441 . 1 1 37 37 LEU H H 1 9.361 0.050 . 1 . . . . 337 . . . 5991 1 442 . 1 1 37 37 LEU HA H 1 2.894 0.050 . 1 . . . . 337 . . . 5991 1 443 . 1 1 37 37 LEU HB2 H 1 2.012 0.050 . 2 . . . . 337 . . . 5991 1 444 . 1 1 37 37 LEU HB3 H 1 1.157 0.050 . 2 . . . . 337 . . . 5991 1 445 . 1 1 37 37 LEU HG H 1 1.048 0.050 . 1 . . . . 337 . . . 5991 1 446 . 1 1 37 37 LEU HD11 H 1 -0.291 0.050 . 1 . . . . 337 . . . 5991 1 447 . 1 1 37 37 LEU HD12 H 1 -0.291 0.050 . 1 . . . . 337 . . . 5991 1 448 . 1 1 37 37 LEU HD13 H 1 -0.291 0.050 . 1 . . . . 337 . . . 5991 1 449 . 1 1 37 37 LEU HD21 H 1 0.634 0.050 . 1 . . . . 337 . . . 5991 1 450 . 1 1 37 37 LEU HD22 H 1 0.634 0.050 . 1 . . . . 337 . . . 5991 1 451 . 1 1 37 37 LEU HD23 H 1 0.634 0.050 . 1 . . . . 337 . . . 5991 1 452 . 1 1 37 37 LEU CA C 13 58.579 0.300 . 1 . . . . 337 . . . 5991 1 453 . 1 1 37 37 LEU CB C 13 39.936 0.300 . 1 . . . . 337 . . . 5991 1 454 . 1 1 37 37 LEU CG C 13 27.089 0.300 . 1 . . . . 337 . . . 5991 1 455 . 1 1 37 37 LEU CD1 C 13 20.280 0.300 . 1 . . . . 337 . . . 5991 1 456 . 1 1 37 37 LEU CD2 C 13 25.321 0.300 . 1 . . . . 337 . . . 5991 1 457 . 1 1 37 37 LEU N N 15 125.779 0.500 . 1 . . . . 337 . . . 5991 1 458 . 1 1 38 38 TRP H H 1 7.622 0.050 . 1 . . . . 338 . . . 5991 1 459 . 1 1 38 38 TRP HA H 1 4.021 0.050 . 1 . . . . 338 . . . 5991 1 460 . 1 1 38 38 TRP HB2 H 1 3.291 0.050 . 2 . . . . 338 . . . 5991 1 461 . 1 1 38 38 TRP HB3 H 1 2.379 0.050 . 2 . . . . 338 . . . 5991 1 462 . 1 1 38 38 TRP HD1 H 1 7.310 0.050 . 1 . . . . 338 . . . 5991 1 463 . 1 1 38 38 TRP HE1 H 1 10.521 0.050 . 1 . . . . 338 . . . 5991 1 464 . 1 1 38 38 TRP HE3 H 1 7.183 0.050 . 1 . . . . 338 . . . 5991 1 465 . 1 1 38 38 TRP HZ2 H 1 7.661 0.050 . 1 . . . . 338 . . . 5991 1 466 . 1 1 38 38 TRP HZ3 H 1 6.562 0.050 . 1 . . . . 338 . . . 5991 1 467 . 1 1 38 38 TRP HH2 H 1 6.992 0.050 . 1 . . . . 338 . . . 5991 1 468 . 1 1 38 38 TRP C C 13 175.934 0.300 . 1 . . . . 338 . . . 5991 1 469 . 1 1 38 38 TRP CA C 13 60.071 0.300 . 1 . . . . 338 . . . 5991 1 470 . 1 1 38 38 TRP CB C 13 27.053 0.300 . 1 . . . . 338 . . . 5991 1 471 . 1 1 38 38 TRP CD1 C 13 127.709 0.300 . 1 . . . . 338 . . . 5991 1 472 . 1 1 38 38 TRP CE3 C 13 120.173 0.300 . 1 . . . . 338 . . . 5991 1 473 . 1 1 38 38 TRP CZ2 C 13 114.929 0.300 . 1 . . . . 338 . . . 5991 1 474 . 1 1 38 38 TRP CZ3 C 13 121.688 0.300 . 1 . . . . 338 . . . 5991 1 475 . 1 1 38 38 TRP CH2 C 13 124.019 0.300 . 1 . . . . 338 . . . 5991 1 476 . 1 1 38 38 TRP N N 15 113.399 0.500 . 1 . . . . 338 . . . 5991 1 477 . 1 1 38 38 TRP NE1 N 15 130.999 0.500 . 1 . . . . 338 . . . 5991 1 478 . 1 1 39 39 GLN H H 1 5.857 0.050 . 1 . . . . 339 . . . 5991 1 479 . 1 1 39 39 GLN HA H 1 3.245 0.050 . 1 . . . . 339 . . . 5991 1 480 . 1 1 39 39 GLN HB2 H 1 1.389 0.050 . 2 . . . . 339 . . . 5991 1 481 . 1 1 39 39 GLN HB3 H 1 1.318 0.050 . 2 . . . . 339 . . . 5991 1 482 . 1 1 39 39 GLN HG2 H 1 2.154 0.050 . 1 . . . . 339 . . . 5991 1 483 . 1 1 39 39 GLN HG3 H 1 2.154 0.050 . 1 . . . . 339 . . . 5991 1 484 . 1 1 39 39 GLN HE21 H 1 7.564 0.050 . 1 . . . . 339 . . . 5991 1 485 . 1 1 39 39 GLN HE22 H 1 6.880 0.050 . 1 . . . . 339 . . . 5991 1 486 . 1 1 39 39 GLN C C 13 177.761 0.300 . 1 . . . . 339 . . . 5991 1 487 . 1 1 39 39 GLN CA C 13 57.088 0.300 . 1 . . . . 339 . . . 5991 1 488 . 1 1 39 39 GLN CB C 13 26.857 0.300 . 1 . . . . 339 . . . 5991 1 489 . 1 1 39 39 GLN CG C 13 26.992 0.300 . 1 . . . . 339 . . . 5991 1 490 . 1 1 39 39 GLN CD C 13 172.535 0.300 . 1 . . . . 339 . . . 5991 1 491 . 1 1 39 39 GLN N N 15 118.201 0.500 . 1 . . . . 339 . . . 5991 1 492 . 1 1 39 39 GLN NE2 N 15 112.526 0.500 . 1 . . . . 339 . . . 5991 1 493 . 1 1 40 40 PHE H H 1 7.798 0.050 . 1 . . . . 340 . . . 5991 1 494 . 1 1 40 40 PHE HA H 1 4.151 0.050 . 1 . . . . 340 . . . 5991 1 495 . 1 1 40 40 PHE HB2 H 1 3.005 0.050 . 2 . . . . 340 . . . 5991 1 496 . 1 1 40 40 PHE HB3 H 1 2.874 0.050 . 2 . . . . 340 . . . 5991 1 497 . 1 1 40 40 PHE HD1 H 1 6.987 0.050 . 1 . . . . 340 . . . 5991 1 498 . 1 1 40 40 PHE HD2 H 1 6.987 0.050 . 1 . . . . 340 . . . 5991 1 499 . 1 1 40 40 PHE HE1 H 1 7.373 0.050 . 1 . . . . 340 . . . 5991 1 500 . 1 1 40 40 PHE HE2 H 1 7.373 0.050 . 1 . . . . 340 . . . 5991 1 501 . 1 1 40 40 PHE HZ H 1 7.412 0.050 . 1 . . . . 340 . . . 5991 1 502 . 1 1 40 40 PHE C C 13 176.246 0.300 . 1 . . . . 340 . . . 5991 1 503 . 1 1 40 40 PHE CA C 13 61.190 0.300 . 1 . . . . 340 . . . 5991 1 504 . 1 1 40 40 PHE CB C 13 39.216 0.300 . 1 . . . . 340 . . . 5991 1 505 . 1 1 40 40 PHE CD1 C 13 131.710 0.300 . 1 . . . . 340 . . . 5991 1 506 . 1 1 40 40 PHE CD2 C 13 131.710 0.300 . 1 . . . . 340 . . . 5991 1 507 . 1 1 40 40 PHE CE1 C 13 131.516 0.300 . 1 . . . . 340 . . . 5991 1 508 . 1 1 40 40 PHE CE2 C 13 131.516 0.300 . 1 . . . . 340 . . . 5991 1 509 . 1 1 40 40 PHE CZ C 13 130.040 0.300 . 1 . . . . 340 . . . 5991 1 510 . 1 1 40 40 PHE N N 15 120.269 0.500 . 1 . . . . 340 . . . 5991 1 511 . 1 1 41 41 LEU H H 1 8.228 0.050 . 1 . . . . 341 . . . 5991 1 512 . 1 1 41 41 LEU HA H 1 3.526 0.050 . 1 . . . . 341 . . . 5991 1 513 . 1 1 41 41 LEU HB2 H 1 1.858 0.050 . 2 . . . . 341 . . . 5991 1 514 . 1 1 41 41 LEU HB3 H 1 0.764 0.050 . 2 . . . . 341 . . . 5991 1 515 . 1 1 41 41 LEU HG H 1 1.785 0.050 . 1 . . . . 341 . . . 5991 1 516 . 1 1 41 41 LEU HD11 H 1 0.634 0.050 . 1 . . . . 341 . . . 5991 1 517 . 1 1 41 41 LEU HD12 H 1 0.634 0.050 . 1 . . . . 341 . . . 5991 1 518 . 1 1 41 41 LEU HD13 H 1 0.634 0.050 . 1 . . . . 341 . . . 5991 1 519 . 1 1 41 41 LEU HD21 H 1 0.562 0.050 . 1 . . . . 341 . . . 5991 1 520 . 1 1 41 41 LEU HD22 H 1 0.562 0.050 . 1 . . . . 341 . . . 5991 1 521 . 1 1 41 41 LEU HD23 H 1 0.562 0.050 . 1 . . . . 341 . . . 5991 1 522 . 1 1 41 41 LEU C C 13 177.773 0.300 . 1 . . . . 341 . . . 5991 1 523 . 1 1 41 41 LEU CA C 13 58.206 0.300 . 1 . . . . 341 . . . 5991 1 524 . 1 1 41 41 LEU CB C 13 40.382 0.300 . 1 . . . . 341 . . . 5991 1 525 . 1 1 41 41 LEU CG C 13 25.875 0.300 . 1 . . . . 341 . . . 5991 1 526 . 1 1 41 41 LEU CD1 C 13 26.195 0.300 . 1 . . . . 341 . . . 5991 1 527 . 1 1 41 41 LEU CD2 C 13 21.882 0.300 . 1 . . . . 341 . . . 5991 1 528 . 1 1 41 41 LEU N N 15 116.340 0.500 . 1 . . . . 341 . . . 5991 1 529 . 1 1 42 42 LEU H H 1 6.971 0.050 . 1 . . . . 342 . . . 5991 1 530 . 1 1 42 42 LEU HA H 1 3.864 0.050 . 1 . . . . 342 . . . 5991 1 531 . 1 1 42 42 LEU HB2 H 1 1.676 0.050 . 1 . . . . 342 . . . 5991 1 532 . 1 1 42 42 LEU HB3 H 1 1.363 0.050 . 1 . . . . 342 . . . 5991 1 533 . 1 1 42 42 LEU HG H 1 1.598 0.050 . 1 . . . . 342 . . . 5991 1 534 . 1 1 42 42 LEU HD11 H 1 0.712 0.050 . 1 . . . . 342 . . . 5991 1 535 . 1 1 42 42 LEU HD12 H 1 0.712 0.050 . 1 . . . . 342 . . . 5991 1 536 . 1 1 42 42 LEU HD13 H 1 0.712 0.050 . 1 . . . . 342 . . . 5991 1 537 . 1 1 42 42 LEU HD21 H 1 0.536 0.050 . 1 . . . . 342 . . . 5991 1 538 . 1 1 42 42 LEU HD22 H 1 0.536 0.050 . 1 . . . . 342 . . . 5991 1 539 . 1 1 42 42 LEU HD23 H 1 0.536 0.050 . 1 . . . . 342 . . . 5991 1 540 . 1 1 42 42 LEU C C 13 177.800 0.300 . 1 . . . . 342 . . . 5991 1 541 . 1 1 42 42 LEU CA C 13 57.531 0.300 . 1 . . . . 342 . . . 5991 1 542 . 1 1 42 42 LEU CB C 13 41.743 0.300 . 1 . . . . 342 . . . 5991 1 543 . 1 1 42 42 LEU CG C 13 27.028 0.300 . 1 . . . . 342 . . . 5991 1 544 . 1 1 42 42 LEU CD1 C 13 25.117 0.300 . 1 . . . . 342 . . . 5991 1 545 . 1 1 42 42 LEU CD2 C 13 24.417 0.300 . 1 . . . . 342 . . . 5991 1 546 . 1 1 42 42 LEU N N 15 116.891 0.500 . 1 . . . . 342 . . . 5991 1 547 . 1 1 43 43 GLU H H 1 7.583 0.050 . 1 . . . . 343 . . . 5991 1 548 . 1 1 43 43 GLU HA H 1 4.073 0.050 . 1 . . . . 343 . . . 5991 1 549 . 1 1 43 43 GLU HB2 H 1 2.171 0.050 . 2 . . . . 343 . . . 5991 1 550 . 1 1 43 43 GLU HB3 H 1 2.301 0.050 . 2 . . . . 343 . . . 5991 1 551 . 1 1 43 43 GLU HG2 H 1 2.510 0.050 . 2 . . . . 343 . . . 5991 1 552 . 1 1 43 43 GLU HG3 H 1 2.431 0.050 . 2 . . . . 343 . . . 5991 1 553 . 1 1 43 43 GLU C C 13 178.982 0.300 . 1 . . . . 343 . . . 5991 1 554 . 1 1 43 43 GLU CA C 13 59.698 0.300 . 1 . . . . 343 . . . 5991 1 555 . 1 1 43 43 GLU CB C 13 28.957 0.300 . 1 . . . . 343 . . . 5991 1 556 . 1 1 43 43 GLU CG C 13 36.876 0.300 . 1 . . . . 343 . . . 5991 1 557 . 1 1 43 43 GLU N N 15 120.981 0.500 . 1 . . . . 343 . . . 5991 1 558 . 1 1 44 44 LEU H H 1 7.681 0.050 . 1 . . . . 344 . . . 5991 1 559 . 1 1 44 44 LEU HA H 1 3.968 0.050 . 1 . . . . 344 . . . 5991 1 560 . 1 1 44 44 LEU HB2 H 1 1.650 0.050 . 2 . . . . 344 . . . 5991 1 561 . 1 1 44 44 LEU HB3 H 1 1.285 0.050 . 2 . . . . 344 . . . 5991 1 562 . 1 1 44 44 LEU HG H 1 1.207 0.050 . 1 . . . . 344 . . . 5991 1 563 . 1 1 44 44 LEU HD11 H 1 0.738 0.050 . 1 . . . . 344 . . . 5991 1 564 . 1 1 44 44 LEU HD12 H 1 0.738 0.050 . 1 . . . . 344 . . . 5991 1 565 . 1 1 44 44 LEU HD13 H 1 0.738 0.050 . 1 . . . . 344 . . . 5991 1 566 . 1 1 44 44 LEU HD21 H 1 0.855 0.050 . 1 . . . . 344 . . . 5991 1 567 . 1 1 44 44 LEU HD22 H 1 0.855 0.050 . 1 . . . . 344 . . . 5991 1 568 . 1 1 44 44 LEU HD23 H 1 0.855 0.050 . 1 . . . . 344 . . . 5991 1 569 . 1 1 44 44 LEU C C 13 180.652 0.300 . 1 . . . . 344 . . . 5991 1 570 . 1 1 44 44 LEU CA C 13 57.757 0.300 . 1 . . . . 344 . . . 5991 1 571 . 1 1 44 44 LEU CB C 13 41.810 0.300 . 1 . . . . 344 . . . 5991 1 572 . 1 1 44 44 LEU CG C 13 25.875 0.300 . 1 . . . . 344 . . . 5991 1 573 . 1 1 44 44 LEU CD1 C 13 27.418 0.300 . 1 . . . . 344 . . . 5991 1 574 . 1 1 44 44 LEU CD2 C 13 22.960 0.300 . 1 . . . . 344 . . . 5991 1 575 . 1 1 44 44 LEU N N 15 117.259 0.500 . 1 . . . . 344 . . . 5991 1 576 . 1 1 45 45 LEU H H 1 8.072 0.050 . 1 . . . . 345 . . . 5991 1 577 . 1 1 45 45 LEU HA H 1 3.682 0.050 . 1 . . . . 345 . . . 5991 1 578 . 1 1 45 45 LEU HB2 H 1 1.520 0.050 . 1 . . . . 345 . . . 5991 1 579 . 1 1 45 45 LEU HB3 H 1 0.686 0.050 . 1 . . . . 345 . . . 5991 1 580 . 1 1 45 45 LEU HG H 1 0.842 0.050 . 1 . . . . 345 . . . 5991 1 581 . 1 1 45 45 LEU HD11 H 1 -0.669 0.050 . 1 . . . . 345 . . . 5991 1 582 . 1 1 45 45 LEU HD12 H 1 -0.669 0.050 . 1 . . . . 345 . . . 5991 1 583 . 1 1 45 45 LEU HD13 H 1 -0.669 0.050 . 1 . . . . 345 . . . 5991 1 584 . 1 1 45 45 LEU HD21 H 1 -0.272 0.050 . 1 . . . . 345 . . . 5991 1 585 . 1 1 45 45 LEU HD22 H 1 -0.272 0.050 . 1 . . . . 345 . . . 5991 1 586 . 1 1 45 45 LEU HD23 H 1 -0.272 0.050 . 1 . . . . 345 . . . 5991 1 587 . 1 1 45 45 LEU C C 13 178.591 0.300 . 1 . . . . 345 . . . 5991 1 588 . 1 1 45 45 LEU CA C 13 56.528 0.300 . 1 . . . . 345 . . . 5991 1 589 . 1 1 45 45 LEU CB C 13 42.108 0.300 . 1 . . . . 345 . . . 5991 1 590 . 1 1 45 45 LEU CG C 13 27.180 0.300 . 1 . . . . 345 . . . 5991 1 591 . 1 1 45 45 LEU CD1 C 13 23.776 0.300 . 1 . . . . 345 . . . 5991 1 592 . 1 1 45 45 LEU CD2 C 13 24.126 0.300 . 1 . . . . 345 . . . 5991 1 593 . 1 1 45 45 LEU N N 15 115.696 0.500 . 1 . . . . 345 . . . 5991 1 594 . 1 1 46 46 THR H H 1 7.785 0.050 . 1 . . . . 346 . . . 5991 1 595 . 1 1 46 46 THR HA H 1 4.828 0.050 . 1 . . . . 346 . . . 5991 1 596 . 1 1 46 46 THR HB H 1 4.697 0.050 . 1 . . . . 346 . . . 5991 1 597 . 1 1 46 46 THR HG21 H 1 1.364 0.050 . 1 . . . . 346 . . . 5991 1 598 . 1 1 46 46 THR HG22 H 1 1.364 0.050 . 1 . . . . 346 . . . 5991 1 599 . 1 1 46 46 THR HG23 H 1 1.364 0.050 . 1 . . . . 346 . . . 5991 1 600 . 1 1 46 46 THR C C 13 171.594 0.300 . 1 . . . . 346 . . . 5991 1 601 . 1 1 46 46 THR CA C 13 60.258 0.300 . 1 . . . . 346 . . . 5991 1 602 . 1 1 46 46 THR CB C 13 67.739 0.300 . 1 . . . . 346 . . . 5991 1 603 . 1 1 46 46 THR CG2 C 13 21.507 0.300 . 1 . . . . 346 . . . 5991 1 604 . 1 1 46 46 THR N N 15 109.769 0.500 . 1 . . . . 346 . . . 5991 1 605 . 1 1 47 47 ASP H H 1 7.225 0.050 . 1 . . . . 347 . . . 5991 1 606 . 1 1 47 47 ASP HA H 1 4.854 0.050 . 1 . . . . 347 . . . 5991 1 607 . 1 1 47 47 ASP HB2 H 1 2.431 0.050 . 1 . . . . 347 . . . 5991 1 608 . 1 1 47 47 ASP HB3 H 1 3.421 0.050 . 1 . . . . 347 . . . 5991 1 609 . 1 1 47 47 ASP C C 13 176.550 0.300 . 1 . . . . 347 . . . 5991 1 610 . 1 1 47 47 ASP CA C 13 52.239 0.300 . 1 . . . . 347 . . . 5991 1 611 . 1 1 47 47 ASP CB C 13 42.972 0.300 . 1 . . . . 347 . . . 5991 1 612 . 1 1 47 47 ASP N N 15 123.646 0.500 . 1 . . . . 347 . . . 5991 1 613 . 1 1 48 48 LYS H H 1 8.879 0.050 . 1 . . . . 348 . . . 5991 1 614 . 1 1 48 48 LYS HA H 1 3.942 0.050 . 1 . . . . 348 . . . 5991 1 615 . 1 1 48 48 LYS HB2 H 1 1.936 0.050 . 1 . . . . 348 . . . 5991 1 616 . 1 1 48 48 LYS HB3 H 1 1.936 0.050 . 1 . . . . 348 . . . 5991 1 617 . 1 1 48 48 LYS HG2 H 1 1.780 0.050 . 1 . . . . 348 . . . 5991 1 618 . 1 1 48 48 LYS HG3 H 1 1.780 0.050 . 1 . . . . 348 . . . 5991 1 619 . 1 1 48 48 LYS HD2 H 1 1.650 0.050 . 2 . . . . 348 . . . 5991 1 620 . 1 1 48 48 LYS HD3 H 1 1.546 0.050 . 2 . . . . 348 . . . 5991 1 621 . 1 1 48 48 LYS HE2 H 1 3.057 0.050 . 5 . . . . 348 . . . 5991 1 622 . 1 1 48 48 LYS HE3 H 1 3.057 0.050 . 5 . . . . 348 . . . 5991 1 623 . 1 1 48 48 LYS C C 13 178.101 0.300 . 1 . . . . 348 . . . 5991 1 624 . 1 1 48 48 LYS CA C 13 59.698 0.300 . 1 . . . . 348 . . . 5991 1 625 . 1 1 48 48 LYS CB C 13 32.527 0.300 . 1 . . . . 348 . . . 5991 1 626 . 1 1 48 48 LYS CG C 13 29.420 0.300 . 1 . . . . 348 . . . 5991 1 627 . 1 1 48 48 LYS CD C 13 25.154 0.300 . 1 . . . . 348 . . . 5991 1 628 . 1 1 48 48 LYS CE C 13 42.059 0.300 . 5 . . . . 348 . . . 5991 1 629 . 1 1 48 48 LYS N N 15 124.818 0.500 . 1 . . . . 348 . . . 5991 1 630 . 1 1 49 49 SER H H 1 8.612 0.050 . 1 . . . . 349 . . . 5991 1 631 . 1 1 49 49 SER HA H 1 4.463 0.050 . 1 . . . . 349 . . . 5991 1 632 . 1 1 49 49 SER HB2 H 1 4.151 0.050 . 1 . . . . 349 . . . 5991 1 633 . 1 1 49 49 SER HB3 H 1 4.047 0.050 . 1 . . . . 349 . . . 5991 1 634 . 1 1 49 49 SER C C 13 176.432 0.300 . 1 . . . . 349 . . . 5991 1 635 . 1 1 49 49 SER CA C 13 61.004 0.300 . 1 . . . . 349 . . . 5991 1 636 . 1 1 49 49 SER CB C 13 63.039 0.300 . 1 . . . . 349 . . . 5991 1 637 . 1 1 49 49 SER N N 15 113.537 0.500 . 1 . . . . 349 . . . 5991 1 638 . 1 1 50 50 CYS H H 1 8.137 0.050 . 1 . . . . 350 . . . 5991 1 639 . 1 1 50 50 CYS HA H 1 4.437 0.050 . 1 . . . . 350 . . . 5991 1 640 . 1 1 50 50 CYS HB2 H 1 3.343 0.050 . 1 . . . . 350 . . . 5991 1 641 . 1 1 50 50 CYS HB3 H 1 2.457 0.050 . 1 . . . . 350 . . . 5991 1 642 . 1 1 50 50 CYS C C 13 174.648 0.300 . 1 . . . . 350 . . . 5991 1 643 . 1 1 50 50 CYS CA C 13 59.512 0.300 . 1 . . . . 350 . . . 5991 1 644 . 1 1 50 50 CYS CB C 13 27.742 0.300 . 1 . . . . 350 . . . 5991 1 645 . 1 1 50 50 CYS N N 15 120.154 0.500 . 1 . . . . 350 . . . 5991 1 646 . 1 1 51 51 GLN H H 1 7.056 0.050 . 1 . . . . 351 . . . 5991 1 647 . 1 1 51 51 GLN HA H 1 4.333 0.050 . 1 . . . . 351 . . . 5991 1 648 . 1 1 51 51 GLN HB2 H 1 2.119 0.050 . 2 . . . . 351 . . . 5991 1 649 . 1 1 51 51 GLN HB3 H 1 2.067 0.050 . 2 . . . . 351 . . . 5991 1 650 . 1 1 51 51 GLN HG2 H 1 2.770 0.050 . 2 . . . . 351 . . . 5991 1 651 . 1 1 51 51 GLN HG3 H 1 2.510 0.050 . 2 . . . . 351 . . . 5991 1 652 . 1 1 51 51 GLN HE21 H 1 7.681 0.050 . 1 . . . . 351 . . . 5991 1 653 . 1 1 51 51 GLN HE22 H 1 7.277 0.050 . 1 . . . . 351 . . . 5991 1 654 . 1 1 51 51 GLN C C 13 176.853 0.300 . 1 . . . . 351 . . . 5991 1 655 . 1 1 51 51 GLN CA C 13 58.393 0.300 . 1 . . . . 351 . . . 5991 1 656 . 1 1 51 51 GLN CB C 13 27.951 0.300 . 1 . . . . 351 . . . 5991 1 657 . 1 1 51 51 GLN CG C 13 35.605 0.300 . 1 . . . . 351 . . . 5991 1 658 . 1 1 51 51 GLN CD C 13 172.161 0.300 . 1 . . . . 351 . . . 5991 1 659 . 1 1 51 51 GLN N N 15 117.994 0.500 . 1 . . . . 351 . . . 5991 1 660 . 1 1 51 51 GLN NE2 N 15 109.929 0.500 . 1 . . . . 351 . . . 5991 1 661 . 1 1 52 52 SER H H 1 8.267 0.050 . 1 . . . . 352 . . . 5991 1 662 . 1 1 52 52 SER HA H 1 4.261 0.050 . 1 . . . . 352 . . . 5991 1 663 . 1 1 52 52 SER HB2 H 1 3.890 0.050 . 2 . . . . 352 . . . 5991 1 664 . 1 1 52 52 SER HB3 H 1 3.811 0.050 . 2 . . . . 352 . . . 5991 1 665 . 1 1 52 52 SER C C 13 174.742 0.300 . 1 . . . . 352 . . . 5991 1 666 . 1 1 52 52 SER CA C 13 60.258 0.300 . 1 . . . . 352 . . . 5991 1 667 . 1 1 52 52 SER CB C 13 62.517 0.300 . 1 . . . . 352 . . . 5991 1 668 . 1 1 52 52 SER N N 15 112.687 0.500 . 1 . . . . 352 . . . 5991 1 669 . 1 1 53 53 PHE H H 1 7.505 0.050 . 1 . . . . 353 . . . 5991 1 670 . 1 1 53 53 PHE HA H 1 5.115 0.050 . 1 . . . . 353 . . . 5991 1 671 . 1 1 53 53 PHE HB2 H 1 3.291 0.050 . 2 . . . . 353 . . . 5991 1 672 . 1 1 53 53 PHE HB3 H 1 3.187 0.050 . 2 . . . . 353 . . . 5991 1 673 . 1 1 53 53 PHE HD1 H 1 7.158 0.050 . 1 . . . . 353 . . . 5991 1 674 . 1 1 53 53 PHE HD2 H 1 7.158 0.050 . 1 . . . . 353 . . . 5991 1 675 . 1 1 53 53 PHE HE1 H 1 7.373 0.050 . 1 . . . . 353 . . . 5991 1 676 . 1 1 53 53 PHE HE2 H 1 7.373 0.050 . 1 . . . . 353 . . . 5991 1 677 . 1 1 53 53 PHE HZ H 1 7.334 0.050 . 1 . . . . 353 . . . 5991 1 678 . 1 1 53 53 PHE C C 13 174.713 0.300 . 1 . . . . 353 . . . 5991 1 679 . 1 1 53 53 PHE CA C 13 56.155 0.300 . 1 . . . . 353 . . . 5991 1 680 . 1 1 53 53 PHE CB C 13 41.109 0.300 . 1 . . . . 353 . . . 5991 1 681 . 1 1 53 53 PHE CD1 C 13 132.682 0.300 . 1 . . . . 353 . . . 5991 1 682 . 1 1 53 53 PHE CD2 C 13 132.682 0.300 . 1 . . . . 353 . . . 5991 1 683 . 1 1 53 53 PHE CE1 C 13 131.050 0.300 . 1 . . . . 353 . . . 5991 1 684 . 1 1 53 53 PHE CE2 C 13 131.050 0.300 . 1 . . . . 353 . . . 5991 1 685 . 1 1 53 53 PHE CZ C 13 129.885 0.300 . 1 . . . . 353 . . . 5991 1 686 . 1 1 53 53 PHE N N 15 115.811 0.500 . 1 . . . . 353 . . . 5991 1 687 . 1 1 54 54 ILE H H 1 7.700 0.050 . 1 . . . . 354 . . . 5991 1 688 . 1 1 54 54 ILE HA H 1 5.167 0.050 . 1 . . . . 354 . . . 5991 1 689 . 1 1 54 54 ILE HB H 1 1.858 0.050 . 1 . . . . 354 . . . 5991 1 690 . 1 1 54 54 ILE HG12 H 1 1.832 0.050 . 2 . . . . 354 . . . 5991 1 691 . 1 1 54 54 ILE HG13 H 1 0.816 0.050 . 2 . . . . 354 . . . 5991 1 692 . 1 1 54 54 ILE HG21 H 1 0.497 0.050 . 1 . . . . 354 . . . 5991 1 693 . 1 1 54 54 ILE HG22 H 1 0.497 0.050 . 1 . . . . 354 . . . 5991 1 694 . 1 1 54 54 ILE HG23 H 1 0.497 0.050 . 1 . . . . 354 . . . 5991 1 695 . 1 1 54 54 ILE HD11 H 1 0.634 0.050 . 1 . . . . 354 . . . 5991 1 696 . 1 1 54 54 ILE HD12 H 1 0.634 0.050 . 1 . . . . 354 . . . 5991 1 697 . 1 1 54 54 ILE HD13 H 1 0.634 0.050 . 1 . . . . 354 . . . 5991 1 698 . 1 1 54 54 ILE C C 13 171.652 0.300 . 1 . . . . 354 . . . 5991 1 699 . 1 1 54 54 ILE CA C 13 60.444 0.300 . 1 . . . . 354 . . . 5991 1 700 . 1 1 54 54 ILE CB C 13 39.437 0.300 . 1 . . . . 354 . . . 5991 1 701 . 1 1 54 54 ILE CG1 C 13 28.254 0.300 . 1 . . . . 354 . . . 5991 1 702 . 1 1 54 54 ILE CG2 C 13 16.375 0.300 . 1 . . . . 354 . . . 5991 1 703 . 1 1 54 54 ILE CD1 C 13 14.976 0.300 . 1 . . . . 354 . . . 5991 1 704 . 1 1 54 54 ILE N N 15 122.957 0.500 . 1 . . . . 354 . . . 5991 1 705 . 1 1 55 55 SER H H 1 8.515 0.050 . 1 . . . . 355 . . . 5991 1 706 . 1 1 55 55 SER HA H 1 4.828 0.050 . 1 . . . . 355 . . . 5991 1 707 . 1 1 55 55 SER HB2 H 1 4.021 0.050 . 2 . . . . 355 . . . 5991 1 708 . 1 1 55 55 SER HB3 H 1 3.919 0.050 . 2 . . . . 355 . . . 5991 1 709 . 1 1 55 55 SER C C 13 174.089 0.300 . 1 . . . . 355 . . . 5991 1 710 . 1 1 55 55 SER CA C 13 56.901 0.300 . 1 . . . . 355 . . . 5991 1 711 . 1 1 55 55 SER CB C 13 65.167 0.300 . 1 . . . . 355 . . . 5991 1 712 . 1 1 55 55 SER N N 15 117.190 0.500 . 1 . . . . 355 . . . 5991 1 713 . 1 1 56 56 TRP H H 1 8.957 0.050 . 1 . . . . 356 . . . 5991 1 714 . 1 1 56 56 TRP HA H 1 5.278 0.050 . 1 . . . . 356 . . . 5991 1 715 . 1 1 56 56 TRP HB2 H 1 2.848 0.050 . 1 . . . . 356 . . . 5991 1 716 . 1 1 56 56 TRP HB3 H 1 3.826 0.050 . 1 . . . . 356 . . . 5991 1 717 . 1 1 56 56 TRP HD1 H 1 7.422 0.050 . 1 . . . . 356 . . . 5991 1 718 . 1 1 56 56 TRP HE1 H 1 8.749 0.050 . 1 . . . . 356 . . . 5991 1 719 . 1 1 56 56 TRP HE3 H 1 8.466 0.050 . 1 . . . . 356 . . . 5991 1 720 . 1 1 56 56 TRP HZ2 H 1 6.963 0.050 . 1 . . . . 356 . . . 5991 1 721 . 1 1 56 56 TRP HZ3 H 1 7.857 0.050 . 1 . . . . 356 . . . 5991 1 722 . 1 1 56 56 TRP HH2 H 1 7.153 0.050 . 1 . . . . 356 . . . 5991 1 723 . 1 1 56 56 TRP C C 13 177.943 0.300 . 1 . . . . 356 . . . 5991 1 724 . 1 1 56 56 TRP CA C 13 56.715 0.300 . 1 . . . . 356 . . . 5991 1 725 . 1 1 56 56 TRP CB C 13 29.678 0.300 . 1 . . . . 356 . . . 5991 1 726 . 1 1 56 56 TRP CD1 C 13 128.797 0.300 . 1 . . . . 356 . . . 5991 1 727 . 1 1 56 56 TRP CE3 C 13 122.698 0.300 . 1 . . . . 356 . . . 5991 1 728 . 1 1 56 56 TRP CZ2 C 13 114.462 0.300 . 1 . . . . 356 . . . 5991 1 729 . 1 1 56 56 TRP CZ3 C 13 121.882 0.300 . 1 . . . . 356 . . . 5991 1 730 . 1 1 56 56 TRP CH2 C 13 125.456 0.300 . 1 . . . . 356 . . . 5991 1 731 . 1 1 56 56 TRP N N 15 123.279 0.500 . 1 . . . . 356 . . . 5991 1 732 . 1 1 56 56 TRP NE1 N 15 125.232 0.500 . 1 . . . . 356 . . . 5991 1 733 . 1 1 57 57 THR H H 1 8.560 0.050 . 1 . . . . 357 . . . 5991 1 734 . 1 1 57 57 THR HA H 1 4.359 0.050 . 1 . . . . 357 . . . 5991 1 735 . 1 1 57 57 THR HB H 1 4.489 0.050 . 1 . . . . 357 . . . 5991 1 736 . 1 1 57 57 THR HG21 H 1 1.162 0.050 . 1 . . . . 357 . . . 5991 1 737 . 1 1 57 57 THR HG22 H 1 1.162 0.050 . 1 . . . . 357 . . . 5991 1 738 . 1 1 57 57 THR HG23 H 1 1.162 0.050 . 1 . . . . 357 . . . 5991 1 739 . 1 1 57 57 THR C C 13 176.816 0.300 . 1 . . . . 357 . . . 5991 1 740 . 1 1 57 57 THR CA C 13 62.869 0.300 . 1 . . . . 357 . . . 5991 1 741 . 1 1 57 57 THR CB C 13 68.773 0.300 . 1 . . . . 357 . . . 5991 1 742 . 1 1 57 57 THR CG2 C 13 22.556 0.300 . 1 . . . . 357 . . . 5991 1 743 . 1 1 57 57 THR N N 15 111.699 0.500 . 1 . . . . 357 . . . 5991 1 744 . 1 1 58 58 GLY H H 1 8.769 0.050 . 1 . . . . 358 . . . 5991 1 745 . 1 1 58 58 GLY HA2 H 1 4.229 0.050 . 2 . . . . 358 . . . 5991 1 746 . 1 1 58 58 GLY HA3 H 1 2.874 0.050 . 2 . . . . 358 . . . 5991 1 747 . 1 1 58 58 GLY C C 13 172.012 0.300 . 1 . . . . 358 . . . 5991 1 748 . 1 1 58 58 GLY CA C 13 44.422 0.300 . 1 . . . . 358 . . . 5991 1 749 . 1 1 58 58 GLY N N 15 109.562 0.500 . 1 . . . . 358 . . . 5991 1 750 . 1 1 59 59 ASP H H 1 7.707 0.050 . 1 . . . . 359 . . . 5991 1 751 . 1 1 59 59 ASP HA H 1 4.880 0.050 . 1 . . . . 359 . . . 5991 1 752 . 1 1 59 59 ASP HB2 H 1 2.431 0.050 . 1 . . . . 359 . . . 5991 1 753 . 1 1 59 59 ASP HB3 H 1 2.874 0.050 . 1 . . . . 359 . . . 5991 1 754 . 1 1 59 59 ASP C C 13 175.667 0.300 . 1 . . . . 359 . . . 5991 1 755 . 1 1 59 59 ASP CA C 13 51.559 0.300 . 1 . . . . 359 . . . 5991 1 756 . 1 1 59 59 ASP CB C 13 41.054 0.300 . 1 . . . . 359 . . . 5991 1 757 . 1 1 59 59 ASP N N 15 122.199 0.500 . 1 . . . . 359 . . . 5991 1 758 . 1 1 60 60 GLY H H 1 8.814 0.050 . 1 . . . . 360 . . . 5991 1 759 . 1 1 60 60 GLY HA2 H 1 3.786 0.050 . 2 . . . . 360 . . . 5991 1 760 . 1 1 60 60 GLY HA3 H 1 3.213 0.050 . 2 . . . . 360 . . . 5991 1 761 . 1 1 60 60 GLY C C 13 175.150 0.300 . 1 . . . . 360 . . . 5991 1 762 . 1 1 60 60 GLY CA C 13 47.270 0.300 . 1 . . . . 360 . . . 5991 1 763 . 1 1 60 60 GLY N N 15 112.962 0.500 . 1 . . . . 360 . . . 5991 1 764 . 1 1 61 61 TRP H H 1 9.322 0.050 . 1 . . . . 361 . . . 5991 1 765 . 1 1 61 61 TRP HA H 1 5.532 0.050 . 1 . . . . 361 . . . 5991 1 766 . 1 1 61 61 TRP HB2 H 1 3.596 0.050 . 1 . . . . 361 . . . 5991 1 767 . 1 1 61 61 TRP HB3 H 1 4.440 0.050 . 1 . . . . 361 . . . 5991 1 768 . 1 1 61 61 TRP HD1 H 1 7.525 0.050 . 1 . . . . 361 . . . 5991 1 769 . 1 1 61 61 TRP HE1 H 1 10.221 0.050 . 1 . . . . 361 . . . 5991 1 770 . 1 1 61 61 TRP HE3 H 1 7.373 0.050 . 1 . . . . 361 . . . 5991 1 771 . 1 1 61 61 TRP HZ2 H 1 7.251 0.050 . 1 . . . . 361 . . . 5991 1 772 . 1 1 61 61 TRP HZ3 H 1 6.338 0.050 . 1 . . . . 361 . . . 5991 1 773 . 1 1 61 61 TRP HH2 H 1 6.640 0.050 . 1 . . . . 361 . . . 5991 1 774 . 1 1 61 61 TRP C C 13 176.175 0.300 . 1 . . . . 361 . . . 5991 1 775 . 1 1 61 61 TRP CA C 13 55.223 0.300 . 1 . . . . 361 . . . 5991 1 776 . 1 1 61 61 TRP CB C 13 29.889 0.300 . 1 . . . . 361 . . . 5991 1 777 . 1 1 61 61 TRP CD1 C 13 128.564 0.300 . 1 . . . . 361 . . . 5991 1 778 . 1 1 61 61 TRP CE3 C 13 120.261 0.300 . 1 . . . . 361 . . . 5991 1 779 . 1 1 61 61 TRP CZ2 C 13 114.307 0.300 . 1 . . . . 361 . . . 5991 1 780 . 1 1 61 61 TRP CZ3 C 13 120.523 0.300 . 1 . . . . 361 . . . 5991 1 781 . 1 1 61 61 TRP CH2 C 13 123.941 0.300 . 1 . . . . 361 . . . 5991 1 782 . 1 1 61 61 TRP N N 15 127.231 0.500 . 1 . . . . 361 . . . 5991 1 783 . 1 1 61 61 TRP NE1 N 15 127.897 0.500 . 1 . . . . 361 . . . 5991 1 784 . 1 1 62 62 GLU H H 1 8.352 0.050 . 1 . . . . 362 . . . 5991 1 785 . 1 1 62 62 GLU HA H 1 5.375 0.050 . 1 . . . . 362 . . . 5991 1 786 . 1 1 62 62 GLU HB2 H 1 1.936 0.050 . 2 . . . . 362 . . . 5991 1 787 . 1 1 62 62 GLU HB3 H 1 2.770 0.050 . 2 . . . . 362 . . . 5991 1 788 . 1 1 62 62 GLU HG2 H 1 2.301 0.050 . 2 . . . . 362 . . . 5991 1 789 . 1 1 62 62 GLU HG3 H 1 2.093 0.050 . 2 . . . . 362 . . . 5991 1 790 . 1 1 62 62 GLU C C 13 176.025 0.300 . 1 . . . . 362 . . . 5991 1 791 . 1 1 62 62 GLU CA C 13 56.715 0.300 . 1 . . . . 362 . . . 5991 1 792 . 1 1 62 62 GLU CB C 13 31.559 0.300 . 1 . . . . 362 . . . 5991 1 793 . 1 1 62 62 GLU CG C 13 38.959 0.300 . 1 . . . . 362 . . . 5991 1 794 . 1 1 62 62 GLU N N 15 123.302 0.500 . 1 . . . . 362 . . . 5991 1 795 . 1 1 63 63 PHE H H 1 10.247 0.050 . 1 . . . . 363 . . . 5991 1 796 . 1 1 63 63 PHE HA H 1 5.792 0.050 . 1 . . . . 363 . . . 5991 1 797 . 1 1 63 63 PHE HB2 H 1 2.796 0.050 . 1 . . . . 363 . . . 5991 1 798 . 1 1 63 63 PHE HB3 H 1 2.848 0.050 . 1 . . . . 363 . . . 5991 1 799 . 1 1 63 63 PHE HE1 H 1 6.753 0.050 . 1 . . . . 363 . . . 5991 1 800 . 1 1 63 63 PHE HE2 H 1 6.753 0.050 . 1 . . . . 363 . . . 5991 1 801 . 1 1 63 63 PHE HZ H 1 6.401 0.050 . 1 . . . . 363 . . . 5991 1 802 . 1 1 63 63 PHE C C 13 170.764 0.300 . 1 . . . . 363 . . . 5991 1 803 . 1 1 63 63 PHE CA C 13 56.528 0.300 . 1 . . . . 363 . . . 5991 1 804 . 1 1 63 63 PHE CB C 13 43.689 0.300 . 1 . . . . 363 . . . 5991 1 805 . 1 1 63 63 PHE CE1 C 13 132.954 0.300 . 1 . . . . 363 . . . 5991 1 806 . 1 1 63 63 PHE CE2 C 13 132.954 0.300 . 1 . . . . 363 . . . 5991 1 807 . 1 1 63 63 PHE CZ C 13 128.641 0.300 . 1 . . . . 363 . . . 5991 1 808 . 1 1 63 63 PHE N N 15 127.139 0.500 . 1 . . . . 363 . . . 5991 1 809 . 1 1 64 64 LYS H H 1 9.622 0.050 . 1 . . . . 364 . . . 5991 1 810 . 1 1 64 64 LYS HA H 1 5.479 0.050 . 1 . . . . 364 . . . 5991 1 811 . 1 1 64 64 LYS HB2 H 1 1.598 0.050 . 1 . . . . 364 . . . 5991 1 812 . 1 1 64 64 LYS HB3 H 1 1.702 0.050 . 1 . . . . 364 . . . 5991 1 813 . 1 1 64 64 LYS HG2 H 1 1.598 0.050 . 1 . . . . 364 . . . 5991 1 814 . 1 1 64 64 LYS HG3 H 1 1.598 0.050 . 1 . . . . 364 . . . 5991 1 815 . 1 1 64 64 LYS HD2 H 1 1.207 0.050 . 1 . . . . 364 . . . 5991 1 816 . 1 1 64 64 LYS HD3 H 1 1.207 0.050 . 1 . . . . 364 . . . 5991 1 817 . 1 1 64 64 LYS HE2 H 1 2.909 0.050 . 5 . . . . 364 . . . 5991 1 818 . 1 1 64 64 LYS HE3 H 1 2.848 0.050 . 5 . . . . 364 . . . 5991 1 819 . 1 1 64 64 LYS C C 13 175.232 0.300 . 1 . . . . 364 . . . 5991 1 820 . 1 1 64 64 LYS CA C 13 53.544 0.300 . 1 . . . . 364 . . . 5991 1 821 . 1 1 64 64 LYS CB C 13 37.252 0.300 . 1 . . . . 364 . . . 5991 1 822 . 1 1 64 64 LYS CG C 13 29.669 0.300 . 1 . . . . 364 . . . 5991 1 823 . 1 1 64 64 LYS CD C 13 24.204 0.300 . 1 . . . . 364 . . . 5991 1 824 . 1 1 64 64 LYS CE C 13 42.054 0.300 . 5 . . . . 364 . . . 5991 1 825 . 1 1 64 64 LYS N N 15 118.982 0.500 . 1 . . . . 364 . . . 5991 1 826 . 1 1 65 65 LEU H H 1 8.873 0.050 . 1 . . . . 365 . . . 5991 1 827 . 1 1 65 65 LEU HA H 1 4.932 0.050 . 1 . . . . 365 . . . 5991 1 828 . 1 1 65 65 LEU HB2 H 1 2.170 0.050 . 1 . . . . 365 . . . 5991 1 829 . 1 1 65 65 LEU HB3 H 1 1.259 0.050 . 1 . . . . 365 . . . 5991 1 830 . 1 1 65 65 LEU HG H 1 2.041 0.050 . 1 . . . . 365 . . . 5991 1 831 . 1 1 65 65 LEU HD11 H 1 1.207 0.050 . 1 . . . . 365 . . . 5991 1 832 . 1 1 65 65 LEU HD12 H 1 1.207 0.050 . 1 . . . . 365 . . . 5991 1 833 . 1 1 65 65 LEU HD13 H 1 1.207 0.050 . 1 . . . . 365 . . . 5991 1 834 . 1 1 65 65 LEU HD21 H 1 1.116 0.050 . 1 . . . . 365 . . . 5991 1 835 . 1 1 65 65 LEU HD22 H 1 1.116 0.050 . 1 . . . . 365 . . . 5991 1 836 . 1 1 65 65 LEU HD23 H 1 1.116 0.050 . 1 . . . . 365 . . . 5991 1 837 . 1 1 65 65 LEU C C 13 174.806 0.300 . 1 . . . . 365 . . . 5991 1 838 . 1 1 65 65 LEU CA C 13 53.544 0.300 . 1 . . . . 365 . . . 5991 1 839 . 1 1 65 65 LEU CB C 13 41.062 0.300 . 1 . . . . 365 . . . 5991 1 840 . 1 1 65 65 LEU CG C 13 28.222 0.300 . 1 . . . . 365 . . . 5991 1 841 . 1 1 65 65 LEU CD1 C 13 26.136 0.300 . 1 . . . . 365 . . . 5991 1 842 . 1 1 65 65 LEU CD2 C 13 25.466 0.300 . 1 . . . . 365 . . . 5991 1 843 . 1 1 65 65 LEU N N 15 123.830 0.500 . 1 . . . . 365 . . . 5991 1 844 . 1 1 66 66 SER H H 1 7.609 0.050 . 1 . . . . 366 . . . 5991 1 845 . 1 1 66 66 SER HA H 1 4.359 0.050 . 1 . . . . 366 . . . 5991 1 846 . 1 1 66 66 SER HB2 H 1 3.838 0.050 . 2 . . . . 366 . . . 5991 1 847 . 1 1 66 66 SER HB3 H 1 3.762 0.050 . 2 . . . . 366 . . . 5991 1 848 . 1 1 66 66 SER C C 13 175.233 0.300 . 1 . . . . 366 . . . 5991 1 849 . 1 1 66 66 SER CA C 13 60.817 0.300 . 1 . . . . 366 . . . 5991 1 850 . 1 1 66 66 SER CB C 13 62.610 0.300 . 1 . . . . 366 . . . 5991 1 851 . 1 1 66 66 SER N N 15 120.292 0.500 . 1 . . . . 366 . . . 5991 1 852 . 1 1 67 67 ASP H H 1 8.007 0.050 . 1 . . . . 367 . . . 5991 1 853 . 1 1 67 67 ASP HA H 1 5.037 0.050 . 1 . . . . 367 . . . 5991 1 854 . 1 1 67 67 ASP HB2 H 1 2.640 0.050 . 1 . . . . 367 . . . 5991 1 855 . 1 1 67 67 ASP HB3 H 1 3.213 0.050 . 1 . . . . 367 . . . 5991 1 856 . 1 1 67 67 ASP CA C 13 50.859 0.300 . 1 . . . . 367 . . . 5991 1 857 . 1 1 67 67 ASP CB C 13 41.518 0.300 . 1 . . . . 367 . . . 5991 1 858 . 1 1 67 67 ASP N N 15 116.960 0.500 . 1 . . . . 367 . . . 5991 1 859 . 1 1 68 68 PRO HA H 1 3.916 0.050 . 1 . . . . 368 . . . 5991 1 860 . 1 1 68 68 PRO HB2 H 1 1.546 0.050 . 2 . . . . 368 . . . 5991 1 861 . 1 1 68 68 PRO HB3 H 1 1.441 0.050 . 2 . . . . 368 . . . 5991 1 862 . 1 1 68 68 PRO HG2 H 1 1.207 0.050 . 2 . . . . 368 . . . 5991 1 863 . 1 1 68 68 PRO HG3 H 1 1.025 0.050 . 2 . . . . 368 . . . 5991 1 864 . 1 1 68 68 PRO HD2 H 1 3.057 0.050 . 2 . . . . 368 . . . 5991 1 865 . 1 1 68 68 PRO HD3 H 1 3.678 0.050 . 2 . . . . 368 . . . 5991 1 866 . 1 1 68 68 PRO C C 13 177.904 0.300 . 1 . . . . 368 . . . 5991 1 867 . 1 1 68 68 PRO CA C 13 65.106 0.300 . 1 . . . . 368 . . . 5991 1 868 . 1 1 68 68 PRO CB C 13 32.062 0.300 . 1 . . . . 368 . . . 5991 1 869 . 1 1 68 68 PRO CG C 13 26.080 0.300 . 1 . . . . 368 . . . 5991 1 870 . 1 1 68 68 PRO CD C 13 50.152 0.300 . 1 . . . . 368 . . . 5991 1 871 . 1 1 68 68 PRO N N 15 136.318 0.500 . 1 . . . . 368 . . . 5991 1 872 . 1 1 69 69 ASP H H 1 7.805 0.050 . 1 . . . . 369 . . . 5991 1 873 . 1 1 69 69 ASP HA H 1 4.463 0.050 . 1 . . . . 369 . . . 5991 1 874 . 1 1 69 69 ASP HB2 H 1 2.822 0.050 . 2 . . . . 369 . . . 5991 1 875 . 1 1 69 69 ASP HB3 H 1 2.692 0.050 . 2 . . . . 369 . . . 5991 1 876 . 1 1 69 69 ASP C C 13 178.609 0.300 . 1 . . . . 369 . . . 5991 1 877 . 1 1 69 69 ASP CA C 13 57.647 0.300 . 1 . . . . 369 . . . 5991 1 878 . 1 1 69 69 ASP CB C 13 40.145 0.300 . 1 . . . . 369 . . . 5991 1 879 . 1 1 69 69 ASP N N 15 116.087 0.500 . 1 . . . . 369 . . . 5991 1 880 . 1 1 70 70 GLU H H 1 7.570 0.050 . 1 . . . . 370 . . . 5991 1 881 . 1 1 70 70 GLU HA H 1 4.151 0.050 . 1 . . . . 370 . . . 5991 1 882 . 1 1 70 70 GLU HB2 H 1 1.832 0.050 . 2 . . . . 370 . . . 5991 1 883 . 1 1 70 70 GLU HB3 H 1 1.923 0.050 . 2 . . . . 370 . . . 5991 1 884 . 1 1 70 70 GLU HG2 H 1 2.431 0.050 . 2 . . . . 370 . . . 5991 1 885 . 1 1 70 70 GLU HG3 H 1 2.197 0.050 . 2 . . . . 370 . . . 5991 1 886 . 1 1 70 70 GLU C C 13 178.532 0.300 . 1 . . . . 370 . . . 5991 1 887 . 1 1 70 70 GLU CA C 13 58.020 0.300 . 1 . . . . 370 . . . 5991 1 888 . 1 1 70 70 GLU CB C 13 28.515 0.300 . 1 . . . . 370 . . . 5991 1 889 . 1 1 70 70 GLU CG C 13 37.435 0.300 . 1 . . . . 370 . . . 5991 1 890 . 1 1 70 70 GLU N N 15 122.819 0.500 . 1 . . . . 370 . . . 5991 1 891 . 1 1 71 71 VAL H H 1 7.466 0.050 . 1 . . . . 371 . . . 5991 1 892 . 1 1 71 71 VAL HA H 1 3.421 0.050 . 1 . . . . 371 . . . 5991 1 893 . 1 1 71 71 VAL HB H 1 2.275 0.050 . 1 . . . . 371 . . . 5991 1 894 . 1 1 71 71 VAL HG11 H 1 0.946 0.050 . 1 . . . . 371 . . . 5991 1 895 . 1 1 71 71 VAL HG12 H 1 0.946 0.050 . 1 . . . . 371 . . . 5991 1 896 . 1 1 71 71 VAL HG13 H 1 0.946 0.050 . 1 . . . . 371 . . . 5991 1 897 . 1 1 71 71 VAL HG21 H 1 1.233 0.050 . 1 . . . . 371 . . . 5991 1 898 . 1 1 71 71 VAL HG22 H 1 1.233 0.050 . 1 . . . . 371 . . . 5991 1 899 . 1 1 71 71 VAL HG23 H 1 1.233 0.050 . 1 . . . . 371 . . . 5991 1 900 . 1 1 71 71 VAL C C 13 177.384 0.300 . 1 . . . . 371 . . . 5991 1 901 . 1 1 71 71 VAL CA C 13 67.904 0.300 . 1 . . . . 371 . . . 5991 1 902 . 1 1 71 71 VAL CB C 13 31.062 0.300 . 1 . . . . 371 . . . 5991 1 903 . 1 1 71 71 VAL CG1 C 13 21.562 0.300 . 1 . . . . 371 . . . 5991 1 904 . 1 1 71 71 VAL CG2 C 13 24.126 0.300 . 1 . . . . 371 . . . 5991 1 905 . 1 1 71 71 VAL N N 15 118.178 0.500 . 1 . . . . 371 . . . 5991 1 906 . 1 1 72 72 ALA H H 1 8.130 0.050 . 1 . . . . 372 . . . 5991 1 907 . 1 1 72 72 ALA HA H 1 4.125 0.050 . 1 . . . . 372 . . . 5991 1 908 . 1 1 72 72 ALA HB1 H 1 1.435 0.050 . 1 . . . . 372 . . . 5991 1 909 . 1 1 72 72 ALA HB2 H 1 1.435 0.050 . 1 . . . . 372 . . . 5991 1 910 . 1 1 72 72 ALA HB3 H 1 1.435 0.050 . 1 . . . . 372 . . . 5991 1 911 . 1 1 72 72 ALA C C 13 178.583 0.300 . 1 . . . . 372 . . . 5991 1 912 . 1 1 72 72 ALA CA C 13 55.969 0.300 . 1 . . . . 372 . . . 5991 1 913 . 1 1 72 72 ALA CB C 13 17.919 0.300 . 1 . . . . 372 . . . 5991 1 914 . 1 1 72 72 ALA N N 15 119.465 0.500 . 1 . . . . 372 . . . 5991 1 915 . 1 1 73 73 ARG H H 1 8.365 0.050 . 1 . . . . 373 . . . 5991 1 916 . 1 1 73 73 ARG HA H 1 4.047 0.050 . 1 . . . . 373 . . . 5991 1 917 . 1 1 73 73 ARG HB2 H 1 1.988 0.050 . 2 . . . . 373 . . . 5991 1 918 . 1 1 73 73 ARG HB3 H 1 1.858 0.050 . 2 . . . . 373 . . . 5991 1 919 . 1 1 73 73 ARG HG2 H 1 1.526 0.050 . 2 . . . . 373 . . . 5991 1 920 . 1 1 73 73 ARG HG3 H 1 1.780 0.050 . 2 . . . . 373 . . . 5991 1 921 . 1 1 73 73 ARG HD2 H 1 3.213 0.050 . 2 . . . . 373 . . . 5991 1 922 . 1 1 73 73 ARG HD3 H 1 3.262 0.050 . 2 . . . . 373 . . . 5991 1 923 . 1 1 73 73 ARG HE H 1 7.575 0.050 . 1 . . . . 373 . . . 5991 1 924 . 1 1 73 73 ARG C C 13 180.375 0.300 . 1 . . . . 373 . . . 5991 1 925 . 1 1 73 73 ARG CA C 13 59.698 0.300 . 1 . . . . 373 . . . 5991 1 926 . 1 1 73 73 ARG CB C 13 30.623 0.300 . 1 . . . . 373 . . . 5991 1 927 . 1 1 73 73 ARG CG C 13 28.015 0.300 . 1 . . . . 373 . . . 5991 1 928 . 1 1 73 73 ARG CD C 13 43.403 0.300 . 1 . . . . 373 . . . 5991 1 929 . 1 1 73 73 ARG N N 15 118.798 0.500 . 1 . . . . 373 . . . 5991 1 930 . 1 1 73 73 ARG NE N 15 83.420 0.500 . 1 . . . . 373 . . . 5991 1 931 . 1 1 74 74 ARG H H 1 8.313 0.050 . 1 . . . . 374 . . . 5991 1 932 . 1 1 74 74 ARG HA H 1 4.099 0.050 . 1 . . . . 374 . . . 5991 1 933 . 1 1 74 74 ARG HB2 H 1 2.197 0.050 . 1 . . . . 374 . . . 5991 1 934 . 1 1 74 74 ARG HB3 H 1 2.327 0.050 . 1 . . . . 374 . . . 5991 1 935 . 1 1 74 74 ARG HG2 H 1 1.936 0.050 . 2 . . . . 374 . . . 5991 1 936 . 1 1 74 74 ARG HG3 H 1 1.705 0.050 . 2 . . . . 374 . . . 5991 1 937 . 1 1 74 74 ARG HD2 H 1 3.369 0.050 . 2 . . . . 374 . . . 5991 1 938 . 1 1 74 74 ARG HD3 H 1 2.874 0.050 . 2 . . . . 374 . . . 5991 1 939 . 1 1 74 74 ARG HE H 1 8.432 0.050 . 1 . . . . 374 . . . 5991 1 940 . 1 1 74 74 ARG C C 13 179.061 0.300 . 1 . . . . 374 . . . 5991 1 941 . 1 1 74 74 ARG CA C 13 59.885 0.300 . 1 . . . . 374 . . . 5991 1 942 . 1 1 74 74 ARG CB C 13 29.418 0.300 . 1 . . . . 374 . . . 5991 1 943 . 1 1 74 74 ARG CG C 13 29.697 0.300 . 1 . . . . 374 . . . 5991 1 944 . 1 1 74 74 ARG CD C 13 42.989 0.300 . 1 . . . . 374 . . . 5991 1 945 . 1 1 74 74 ARG N N 15 118.844 0.500 . 1 . . . . 374 . . . 5991 1 946 . 1 1 74 74 ARG NE N 15 86.755 0.500 . 1 . . . . 374 . . . 5991 1 947 . 1 1 75 75 TRP H H 1 8.593 0.050 . 1 . . . . 375 . . . 5991 1 948 . 1 1 75 75 TRP HA H 1 4.047 0.050 . 1 . . . . 375 . . . 5991 1 949 . 1 1 75 75 TRP HB2 H 1 3.239 0.050 . 2 . . . . 375 . . . 5991 1 950 . 1 1 75 75 TRP HB3 H 1 3.109 0.050 . 2 . . . . 375 . . . 5991 1 951 . 1 1 75 75 TRP HD1 H 1 7.134 0.050 . 1 . . . . 375 . . . 5991 1 952 . 1 1 75 75 TRP HE1 H 1 10.625 0.050 . 1 . . . . 375 . . . 5991 1 953 . 1 1 75 75 TRP HE3 H 1 6.074 0.050 . 1 . . . . 375 . . . 5991 1 954 . 1 1 75 75 TRP HZ2 H 1 7.456 0.050 . 1 . . . . 375 . . . 5991 1 955 . 1 1 75 75 TRP HZ3 H 1 6.274 0.050 . 1 . . . . 375 . . . 5991 1 956 . 1 1 75 75 TRP HH2 H 1 6.855 0.050 . 1 . . . . 375 . . . 5991 1 957 . 1 1 75 75 TRP C C 13 176.836 0.300 . 1 . . . . 375 . . . 5991 1 958 . 1 1 75 75 TRP CA C 13 58.393 0.300 . 1 . . . . 375 . . . 5991 1 959 . 1 1 75 75 TRP CB C 13 30.577 0.300 . 1 . . . . 375 . . . 5991 1 960 . 1 1 75 75 TRP CD1 C 13 126.194 0.300 . 1 . . . . 375 . . . 5991 1 961 . 1 1 75 75 TRP CE3 C 13 122.465 0.300 . 1 . . . . 375 . . . 5991 1 962 . 1 1 75 75 TRP CZ2 C 13 114.385 0.300 . 1 . . . . 375 . . . 5991 1 963 . 1 1 75 75 TRP CZ3 C 13 119.979 0.300 . 1 . . . . 375 . . . 5991 1 964 . 1 1 75 75 TRP CH2 C 13 123.397 0.300 . 1 . . . . 375 . . . 5991 1 965 . 1 1 75 75 TRP N N 15 124.060 0.500 . 1 . . . . 375 . . . 5991 1 966 . 1 1 75 75 TRP NE1 N 15 128.747 0.500 . 1 . . . . 375 . . . 5991 1 967 . 1 1 76 76 GLY H H 1 8.625 0.050 . 1 . . . . 376 . . . 5991 1 968 . 1 1 76 76 GLY HA2 H 1 3.875 0.050 . 2 . . . . 376 . . . 5991 1 969 . 1 1 76 76 GLY HA3 H 1 3.267 0.050 . 2 . . . . 376 . . . 5991 1 970 . 1 1 76 76 GLY C C 13 176.538 0.300 . 1 . . . . 376 . . . 5991 1 971 . 1 1 76 76 GLY CA C 13 47.734 0.300 . 1 . . . . 376 . . . 5991 1 972 . 1 1 76 76 GLY N N 15 105.213 0.500 . 1 . . . . 376 . . . 5991 1 973 . 1 1 77 77 LYS H H 1 7.824 0.050 . 1 . . . . 377 . . . 5991 1 974 . 1 1 77 77 LYS HA H 1 4.047 0.050 . 1 . . . . 377 . . . 5991 1 975 . 1 1 77 77 LYS HB2 H 1 1.962 0.050 . 2 . . . . 377 . . . 5991 1 976 . 1 1 77 77 LYS HB3 H 1 1.858 0.050 . 2 . . . . 377 . . . 5991 1 977 . 1 1 77 77 LYS HG2 H 1 1.702 0.050 . 2 . . . . 377 . . . 5991 1 978 . 1 1 77 77 LYS HG3 H 1 1.754 0.050 . 2 . . . . 377 . . . 5991 1 979 . 1 1 77 77 LYS HD2 H 1 1.467 0.050 . 2 . . . . 377 . . . 5991 1 980 . 1 1 77 77 LYS HD3 H 1 1.520 0.050 . 2 . . . . 377 . . . 5991 1 981 . 1 1 77 77 LYS HE2 H 1 3.005 0.050 . 5 . . . . 377 . . . 5991 1 982 . 1 1 77 77 LYS HE3 H 1 3.005 0.050 . 5 . . . . 377 . . . 5991 1 983 . 1 1 77 77 LYS C C 13 179.252 0.300 . 1 . . . . 377 . . . 5991 1 984 . 1 1 77 77 LYS CA C 13 58.464 0.300 . 1 . . . . 377 . . . 5991 1 985 . 1 1 77 77 LYS CB C 13 32.305 0.300 . 1 . . . . 377 . . . 5991 1 986 . 1 1 77 77 LYS CG C 13 28.945 0.300 . 1 . . . . 377 . . . 5991 1 987 . 1 1 77 77 LYS CD C 13 24.895 0.300 . 1 . . . . 377 . . . 5991 1 988 . 1 1 77 77 LYS CE C 13 42.041 0.300 . 5 . . . . 377 . . . 5991 1 989 . 1 1 77 77 LYS N N 15 120.682 0.500 . 1 . . . . 377 . . . 5991 1 990 . 1 1 78 78 ARG H H 1 7.681 0.050 . 1 . . . . 378 . . . 5991 1 991 . 1 1 78 78 ARG HA H 1 4.099 0.050 . 1 . . . . 378 . . . 5991 1 992 . 1 1 78 78 ARG HB2 H 1 1.806 0.050 . 2 . . . . 378 . . . 5991 1 993 . 1 1 78 78 ARG HB3 H 1 1.598 0.050 . 2 . . . . 378 . . . 5991 1 994 . 1 1 78 78 ARG HG2 H 1 1.624 0.050 . 2 . . . . 378 . . . 5991 1 995 . 1 1 78 78 ARG HG3 H 1 1.415 0.050 . 2 . . . . 378 . . . 5991 1 996 . 1 1 78 78 ARG HD2 H 1 3.447 0.050 . 2 . . . . 378 . . . 5991 1 997 . 1 1 78 78 ARG HD3 H 1 3.343 0.050 . 2 . . . . 378 . . . 5991 1 998 . 1 1 78 78 ARG C C 13 177.373 0.300 . 1 . . . . 378 . . . 5991 1 999 . 1 1 78 78 ARG CA C 13 56.528 0.300 . 1 . . . . 378 . . . 5991 1 1000 . 1 1 78 78 ARG CB C 13 28.961 0.300 . 1 . . . . 378 . . . 5991 1 1001 . 1 1 78 78 ARG CG C 13 26.434 0.300 . 1 . . . . 378 . . . 5991 1 1002 . 1 1 78 78 ARG CD C 13 41.141 0.300 . 1 . . . . 378 . . . 5991 1 1003 . 1 1 78 78 ARG N N 15 119.556 0.500 . 1 . . . . 378 . . . 5991 1 1004 . 1 1 79 79 LYS H H 1 7.401 0.050 . 1 . . . . 379 . . . 5991 1 1005 . 1 1 79 79 LYS HA H 1 3.994 0.050 . 1 . . . . 379 . . . 5991 1 1006 . 1 1 79 79 LYS HB2 H 1 1.181 0.050 . 2 . . . . 379 . . . 5991 1 1007 . 1 1 79 79 LYS HB3 H 1 0.451 0.050 . 2 . . . . 379 . . . 5991 1 1008 . 1 1 79 79 LYS HG2 H 1 1.025 0.050 . 1 . . . . 379 . . . 5991 1 1009 . 1 1 79 79 LYS HG3 H 1 1.025 0.050 . 1 . . . . 379 . . . 5991 1 1010 . 1 1 79 79 LYS HD2 H 1 0.139 0.050 . 2 . . . . 379 . . . 5991 1 1011 . 1 1 79 79 LYS HD3 H 1 -0.148 0.050 . 2 . . . . 379 . . . 5991 1 1012 . 1 1 79 79 LYS HE2 H 1 2.822 0.050 . 5 . . . . 379 . . . 5991 1 1013 . 1 1 79 79 LYS HE3 H 1 2.662 0.050 . 5 . . . . 379 . . . 5991 1 1014 . 1 1 79 79 LYS C C 13 175.301 0.300 . 1 . . . . 379 . . . 5991 1 1015 . 1 1 79 79 LYS CA C 13 52.612 0.300 . 1 . . . . 379 . . . 5991 1 1016 . 1 1 79 79 LYS CB C 13 30.379 0.300 . 1 . . . . 379 . . . 5991 1 1017 . 1 1 79 79 LYS CG C 13 26.619 0.300 . 1 . . . . 379 . . . 5991 1 1018 . 1 1 79 79 LYS CD C 13 22.144 0.300 . 1 . . . . 379 . . . 5991 1 1019 . 1 1 79 79 LYS CE C 13 41.824 0.300 . 5 . . . . 379 . . . 5991 1 1020 . 1 1 79 79 LYS N N 15 114.800 0.500 . 1 . . . . 379 . . . 5991 1 1021 . 1 1 80 80 ASN H H 1 7.472 0.050 . 1 . . . . 380 . . . 5991 1 1022 . 1 1 80 80 ASN HA H 1 4.255 0.050 . 1 . . . . 380 . . . 5991 1 1023 . 1 1 80 80 ASN HB2 H 1 3.109 0.050 . 2 . . . . 380 . . . 5991 1 1024 . 1 1 80 80 ASN HB3 H 1 2.666 0.050 . 2 . . . . 380 . . . 5991 1 1025 . 1 1 80 80 ASN HD21 H 1 7.446 0.050 . 1 . . . . 380 . . . 5991 1 1026 . 1 1 80 80 ASN HD22 H 1 6.743 0.050 . 1 . . . . 380 . . . 5991 1 1027 . 1 1 80 80 ASN C C 13 173.901 0.300 . 1 . . . . 380 . . . 5991 1 1028 . 1 1 80 80 ASN CA C 13 54.104 0.300 . 1 . . . . 380 . . . 5991 1 1029 . 1 1 80 80 ASN CB C 13 36.621 0.300 . 1 . . . . 380 . . . 5991 1 1030 . 1 1 80 80 ASN CG C 13 178.316 0.300 . 1 . . . . 380 . . . 5991 1 1031 . 1 1 80 80 ASN N N 15 117.374 0.500 . 1 . . . . 380 . . . 5991 1 1032 . 1 1 80 80 ASN ND2 N 15 112.020 0.500 . 1 . . . . 380 . . . 5991 1 1033 . 1 1 81 81 LYS H H 1 8.632 0.050 . 1 . . . . 381 . . . 5991 1 1034 . 1 1 81 81 LYS HA H 1 4.776 0.050 . 1 . . . . 381 . . . 5991 1 1035 . 1 1 81 81 LYS HB2 H 1 1.235 0.050 . 1 . . . . 381 . . . 5991 1 1036 . 1 1 81 81 LYS HB3 H 1 1.758 0.050 . 1 . . . . 381 . . . 5991 1 1037 . 1 1 81 81 LYS HG2 H 1 1.361 0.050 . 1 . . . . 381 . . . 5991 1 1038 . 1 1 81 81 LYS HG3 H 1 1.361 0.050 . 1 . . . . 381 . . . 5991 1 1039 . 1 1 81 81 LYS HD2 H 1 1.129 0.050 . 2 . . . . 381 . . . 5991 1 1040 . 1 1 81 81 LYS HD3 H 1 1.103 0.050 . 2 . . . . 381 . . . 5991 1 1041 . 1 1 81 81 LYS HE2 H 1 2.952 0.050 . 5 . . . . 381 . . . 5991 1 1042 . 1 1 81 81 LYS HE3 H 1 2.822 0.050 . 5 . . . . 381 . . . 5991 1 1043 . 1 1 81 81 LYS CA C 13 52.798 0.300 . 1 . . . . 381 . . . 5991 1 1044 . 1 1 81 81 LYS CB C 13 33.955 0.300 . 1 . . . . 381 . . . 5991 1 1045 . 1 1 81 81 LYS CG C 13 24.197 0.300 . 1 . . . . 381 . . . 5991 1 1046 . 1 1 81 81 LYS CD C 13 23.824 0.300 . 1 . . . . 381 . . . 5991 1 1047 . 1 1 81 81 LYS CE C 13 42.098 0.300 . 5 . . . . 381 . . . 5991 1 1048 . 1 1 81 81 LYS N N 15 118.109 0.500 . 1 . . . . 381 . . . 5991 1 1049 . 1 1 82 82 PRO HA H 1 4.307 0.050 . 1 . . . . 382 . . . 5991 1 1050 . 1 1 82 82 PRO HB2 H 1 2.301 0.050 . 2 . . . . 382 . . . 5991 1 1051 . 1 1 82 82 PRO HB3 H 1 1.962 0.050 . 2 . . . . 382 . . . 5991 1 1052 . 1 1 82 82 PRO HG2 H 1 1.962 0.050 . 2 . . . . 382 . . . 5991 1 1053 . 1 1 82 82 PRO HG3 H 1 1.910 0.050 . 2 . . . . 382 . . . 5991 1 1054 . 1 1 82 82 PRO HD2 H 1 3.447 0.050 . 2 . . . . 382 . . . 5991 1 1055 . 1 1 82 82 PRO HD3 H 1 3.758 0.050 . 2 . . . . 382 . . . 5991 1 1056 . 1 1 82 82 PRO C C 13 177.857 0.300 . 1 . . . . 382 . . . 5991 1 1057 . 1 1 82 82 PRO CA C 13 63.987 0.300 . 1 . . . . 382 . . . 5991 1 1058 . 1 1 82 82 PRO CB C 13 32.299 0.300 . 1 . . . . 382 . . . 5991 1 1059 . 1 1 82 82 PRO CG C 13 27.051 0.300 . 1 . . . . 382 . . . 5991 1 1060 . 1 1 82 82 PRO CD C 13 50.597 0.300 . 1 . . . . 382 . . . 5991 1 1061 . 1 1 82 82 PRO N N 15 134.247 0.500 . 1 . . . . 382 . . . 5991 1 1062 . 1 1 83 83 LYS H H 1 8.554 0.050 . 1 . . . . 383 . . . 5991 1 1063 . 1 1 83 83 LYS HA H 1 4.359 0.050 . 1 . . . . 383 . . . 5991 1 1064 . 1 1 83 83 LYS HB2 H 1 1.806 0.050 . 1 . . . . 383 . . . 5991 1 1065 . 1 1 83 83 LYS HB3 H 1 1.962 0.050 . 1 . . . . 383 . . . 5991 1 1066 . 1 1 83 83 LYS HG2 H 1 1.676 0.050 . 1 . . . . 383 . . . 5991 1 1067 . 1 1 83 83 LYS HG3 H 1 1.676 0.050 . 1 . . . . 383 . . . 5991 1 1068 . 1 1 83 83 LYS HD2 H 1 1.415 0.050 . 2 . . . . 383 . . . 5991 1 1069 . 1 1 83 83 LYS HD3 H 1 1.337 0.050 . 2 . . . . 383 . . . 5991 1 1070 . 1 1 83 83 LYS HE2 H 1 3.005 0.050 . 5 . . . . 383 . . . 5991 1 1071 . 1 1 83 83 LYS HE3 H 1 3.005 0.050 . 5 . . . . 383 . . . 5991 1 1072 . 1 1 83 83 LYS C C 13 176.550 0.300 . 1 . . . . 383 . . . 5991 1 1073 . 1 1 83 83 LYS CA C 13 55.409 0.300 . 1 . . . . 383 . . . 5991 1 1074 . 1 1 83 83 LYS CB C 13 30.387 0.300 . 1 . . . . 383 . . . 5991 1 1075 . 1 1 83 83 LYS CG C 13 28.923 0.300 . 1 . . . . 383 . . . 5991 1 1076 . 1 1 83 83 LYS CD C 13 25.125 0.300 . 1 . . . . 383 . . . 5991 1 1077 . 1 1 83 83 LYS CE C 13 42.050 0.300 . 5 . . . . 383 . . . 5991 1 1078 . 1 1 83 83 LYS N N 15 117.236 0.500 . 1 . . . . 383 . . . 5991 1 1079 . 1 1 84 84 MET H H 1 7.811 0.050 . 1 . . . . 384 . . . 5991 1 1080 . 1 1 84 84 MET HA H 1 4.307 0.050 . 1 . . . . 384 . . . 5991 1 1081 . 1 1 84 84 MET HB2 H 1 2.145 0.050 . 1 . . . . 384 . . . 5991 1 1082 . 1 1 84 84 MET HB3 H 1 2.015 0.050 . 1 . . . . 384 . . . 5991 1 1083 . 1 1 84 84 MET HG2 H 1 2.770 0.050 . 2 . . . . 384 . . . 5991 1 1084 . 1 1 84 84 MET HG3 H 1 2.405 0.050 . 2 . . . . 384 . . . 5991 1 1085 . 1 1 84 84 MET HE1 H 1 1.967 0.050 . 1 . . . . 384 . . . 5991 1 1086 . 1 1 84 84 MET HE2 H 1 1.967 0.050 . 1 . . . . 384 . . . 5991 1 1087 . 1 1 84 84 MET HE3 H 1 1.967 0.050 . 1 . . . . 384 . . . 5991 1 1088 . 1 1 84 84 MET C C 13 174.121 0.300 . 1 . . . . 384 . . . 5991 1 1089 . 1 1 84 84 MET CA C 13 55.969 0.300 . 1 . . . . 384 . . . 5991 1 1090 . 1 1 84 84 MET CB C 13 29.914 0.300 . 1 . . . . 384 . . . 5991 1 1091 . 1 1 84 84 MET CG C 13 32.033 0.300 . 1 . . . . 384 . . . 5991 1 1092 . 1 1 84 84 MET CE C 13 15.472 0.300 . 1 . . . . 384 . . . 5991 1 1093 . 1 1 84 84 MET N N 15 121.119 0.500 . 1 . . . . 384 . . . 5991 1 1094 . 1 1 85 85 ASN H H 1 7.381 0.050 . 1 . . . . 385 . . . 5991 1 1095 . 1 1 85 85 ASN HA H 1 4.828 0.050 . 1 . . . . 385 . . . 5991 1 1096 . 1 1 85 85 ASN HB2 H 1 3.343 0.050 . 1 . . . . 385 . . . 5991 1 1097 . 1 1 85 85 ASN HB3 H 1 3.057 0.050 . 1 . . . . 385 . . . 5991 1 1098 . 1 1 85 85 ASN HD21 H 1 7.472 0.050 . 1 . . . . 385 . . . 5991 1 1099 . 1 1 85 85 ASN HD22 H 1 7.101 0.050 . 1 . . . . 385 . . . 5991 1 1100 . 1 1 85 85 ASN C C 13 175.310 0.300 . 1 . . . . 385 . . . 5991 1 1101 . 1 1 85 85 ASN CA C 13 51.680 0.300 . 1 . . . . 385 . . . 5991 1 1102 . 1 1 85 85 ASN CB C 13 39.668 0.300 . 1 . . . . 385 . . . 5991 1 1103 . 1 1 85 85 ASN CG C 13 175.984 0.300 . 1 . . . . 385 . . . 5991 1 1104 . 1 1 85 85 ASN N N 15 121.142 0.500 . 1 . . . . 385 . . . 5991 1 1105 . 1 1 85 85 ASN ND2 N 15 110.917 0.500 . 1 . . . . 385 . . . 5991 1 1106 . 1 1 86 86 TYR H H 1 9.550 0.050 . 1 . . . . 386 . . . 5991 1 1107 . 1 1 86 86 TYR HA H 1 4.177 0.050 . 1 . . . . 386 . . . 5991 1 1108 . 1 1 86 86 TYR HB2 H 1 3.099 0.050 . 2 . . . . 386 . . . 5991 1 1109 . 1 1 86 86 TYR HB3 H 1 3.005 0.050 . 2 . . . . 386 . . . 5991 1 1110 . 1 1 86 86 TYR HD1 H 1 7.129 0.050 . 1 . . . . 386 . . . 5991 1 1111 . 1 1 86 86 TYR HD2 H 1 7.129 0.050 . 1 . . . . 386 . . . 5991 1 1112 . 1 1 86 86 TYR HE1 H 1 6.885 0.050 . 1 . . . . 386 . . . 5991 1 1113 . 1 1 86 86 TYR HE2 H 1 6.885 0.050 . 1 . . . . 386 . . . 5991 1 1114 . 1 1 86 86 TYR C C 13 176.380 0.300 . 1 . . . . 386 . . . 5991 1 1115 . 1 1 86 86 TYR CA C 13 62.238 0.300 . 1 . . . . 386 . . . 5991 1 1116 . 1 1 86 86 TYR CB C 13 37.525 0.300 . 1 . . . . 386 . . . 5991 1 1117 . 1 1 86 86 TYR CD1 C 13 133.458 0.300 . 1 . . . . 386 . . . 5991 1 1118 . 1 1 86 86 TYR CD2 C 13 133.458 0.300 . 1 . . . . 386 . . . 5991 1 1119 . 1 1 86 86 TYR CE1 C 13 117.959 0.300 . 1 . . . . 386 . . . 5991 1 1120 . 1 1 86 86 TYR CE2 C 13 117.959 0.300 . 1 . . . . 386 . . . 5991 1 1121 . 1 1 86 86 TYR N N 15 120.766 0.500 . 1 . . . . 386 . . . 5991 1 1122 . 1 1 87 87 GLU H H 1 8.469 0.050 . 1 . . . . 387 . . . 5991 1 1123 . 1 1 87 87 GLU HA H 1 3.812 0.050 . 1 . . . . 387 . . . 5991 1 1124 . 1 1 87 87 GLU HB2 H 1 2.093 0.050 . 1 . . . . 387 . . . 5991 1 1125 . 1 1 87 87 GLU HB3 H 1 2.093 0.050 . 1 . . . . 387 . . . 5991 1 1126 . 1 1 87 87 GLU HG2 H 1 2.275 0.050 . 2 . . . . 387 . . . 5991 1 1127 . 1 1 87 87 GLU HG3 H 1 2.329 0.050 . 2 . . . . 387 . . . 5991 1 1128 . 1 1 87 87 GLU C C 13 179.547 0.300 . 1 . . . . 387 . . . 5991 1 1129 . 1 1 87 87 GLU CA C 13 60.444 0.300 . 1 . . . . 387 . . . 5991 1 1130 . 1 1 87 87 GLU CB C 13 28.508 0.300 . 1 . . . . 387 . . . 5991 1 1131 . 1 1 87 87 GLU CG C 13 36.313 0.300 . 1 . . . . 387 . . . 5991 1 1132 . 1 1 87 87 GLU N N 15 122.750 0.500 . 1 . . . . 387 . . . 5991 1 1133 . 1 1 88 88 LYS H H 1 8.274 0.050 . 1 . . . . 388 . . . 5991 1 1134 . 1 1 88 88 LYS HA H 1 4.047 0.050 . 1 . . . . 388 . . . 5991 1 1135 . 1 1 88 88 LYS HB2 H 1 2.067 0.050 . 1 . . . . 388 . . . 5991 1 1136 . 1 1 88 88 LYS HB3 H 1 1.936 0.050 . 1 . . . . 388 . . . 5991 1 1137 . 1 1 88 88 LYS HG2 H 1 1.832 0.050 . 2 . . . . 388 . . . 5991 1 1138 . 1 1 88 88 LYS HG3 H 1 1.701 0.050 . 2 . . . . 388 . . . 5991 1 1139 . 1 1 88 88 LYS HD2 H 1 1.520 0.050 . 2 . . . . 388 . . . 5991 1 1140 . 1 1 88 88 LYS HD3 H 1 1.728 0.050 . 2 . . . . 388 . . . 5991 1 1141 . 1 1 88 88 LYS HE2 H 1 3.031 0.050 . 5 . . . . 388 . . . 5991 1 1142 . 1 1 88 88 LYS HE3 H 1 3.031 0.050 . 5 . . . . 388 . . . 5991 1 1143 . 1 1 88 88 LYS C C 13 180.118 0.300 . 1 . . . . 388 . . . 5991 1 1144 . 1 1 88 88 LYS CA C 13 59.423 0.300 . 1 . . . . 388 . . . 5991 1 1145 . 1 1 88 88 LYS CB C 13 33.479 0.300 . 1 . . . . 388 . . . 5991 1 1146 . 1 1 88 88 LYS CG C 13 29.540 0.300 . 1 . . . . 388 . . . 5991 1 1147 . 1 1 88 88 LYS CD C 13 25.916 0.300 . 1 . . . . 388 . . . 5991 1 1148 . 1 1 88 88 LYS CE C 13 42.276 0.300 . 5 . . . . 388 . . . 5991 1 1149 . 1 1 88 88 LYS N N 15 119.258 0.500 . 1 . . . . 388 . . . 5991 1 1150 . 1 1 89 89 LEU H H 1 8.521 0.050 . 1 . . . . 389 . . . 5991 1 1151 . 1 1 89 89 LEU HA H 1 4.047 0.050 . 1 . . . . 389 . . . 5991 1 1152 . 1 1 89 89 LEU HB2 H 1 1.649 0.050 . 1 . . . . 389 . . . 5991 1 1153 . 1 1 89 89 LEU HB3 H 1 1.935 0.050 . 1 . . . . 389 . . . 5991 1 1154 . 1 1 89 89 LEU HG H 1 1.574 0.050 . 1 . . . . 389 . . . 5991 1 1155 . 1 1 89 89 LEU HD11 H 1 0.842 0.050 . 1 . . . . 389 . . . 5991 1 1156 . 1 1 89 89 LEU HD12 H 1 0.842 0.050 . 1 . . . . 389 . . . 5991 1 1157 . 1 1 89 89 LEU HD13 H 1 0.842 0.050 . 1 . . . . 389 . . . 5991 1 1158 . 1 1 89 89 LEU HD21 H 1 0.881 0.050 . 1 . . . . 389 . . . 5991 1 1159 . 1 1 89 89 LEU HD22 H 1 0.881 0.050 . 1 . . . . 389 . . . 5991 1 1160 . 1 1 89 89 LEU HD23 H 1 0.881 0.050 . 1 . . . . 389 . . . 5991 1 1161 . 1 1 89 89 LEU C C 13 178.691 0.300 . 1 . . . . 389 . . . 5991 1 1162 . 1 1 89 89 LEU CA C 13 58.952 0.300 . 1 . . . . 389 . . . 5991 1 1163 . 1 1 89 89 LEU CB C 13 42.524 0.300 . 1 . . . . 389 . . . 5991 1 1164 . 1 1 89 89 LEU CG C 13 26.994 0.300 . 1 . . . . 389 . . . 5991 1 1165 . 1 1 89 89 LEU CD1 C 13 26.369 0.300 . 1 . . . . 389 . . . 5991 1 1166 . 1 1 89 89 LEU CD2 C 13 25.962 0.300 . 1 . . . . 389 . . . 5991 1 1167 . 1 1 89 89 LEU N N 15 124.703 0.500 . 1 . . . . 389 . . . 5991 1 1168 . 1 1 90 90 SER H H 1 8.905 0.050 . 1 . . . . 390 . . . 5991 1 1169 . 1 1 90 90 SER HA H 1 3.890 0.050 . 1 . . . . 390 . . . 5991 1 1170 . 1 1 90 90 SER HB2 H 1 3.604 0.050 . 1 . . . . 390 . . . 5991 1 1171 . 1 1 90 90 SER HB3 H 1 3.811 0.050 . 1 . . . . 390 . . . 5991 1 1172 . 1 1 90 90 SER C C 13 177.013 0.300 . 1 . . . . 390 . . . 5991 1 1173 . 1 1 90 90 SER CA C 13 61.963 0.300 . 1 . . . . 390 . . . 5991 1 1174 . 1 1 90 90 SER CB C 13 62.049 0.300 . 1 . . . . 390 . . . 5991 1 1175 . 1 1 90 90 SER N N 15 114.456 0.500 . 1 . . . . 390 . . . 5991 1 1176 . 1 1 91 91 ARG H H 1 7.596 0.050 . 1 . . . . 391 . . . 5991 1 1177 . 1 1 91 91 ARG HA H 1 4.047 0.050 . 1 . . . . 391 . . . 5991 1 1178 . 1 1 91 91 ARG HB2 H 1 1.988 0.050 . 2 . . . . 391 . . . 5991 1 1179 . 1 1 91 91 ARG HB3 H 1 1.884 0.050 . 2 . . . . 391 . . . 5991 1 1180 . 1 1 91 91 ARG HG2 H 1 1.702 0.050 . 2 . . . . 391 . . . 5991 1 1181 . 1 1 91 91 ARG HG3 H 1 1.621 0.050 . 2 . . . . 391 . . . 5991 1 1182 . 1 1 91 91 ARG HD2 H 1 3.217 0.050 . 2 . . . . 391 . . . 5991 1 1183 . 1 1 91 91 ARG HD3 H 1 3.265 0.050 . 2 . . . . 391 . . . 5991 1 1184 . 1 1 91 91 ARG C C 13 179.127 0.300 . 1 . . . . 391 . . . 5991 1 1185 . 1 1 91 91 ARG CA C 13 59.698 0.300 . 1 . . . . 391 . . . 5991 1 1186 . 1 1 91 91 ARG CB C 13 29.661 0.300 . 1 . . . . 391 . . . 5991 1 1187 . 1 1 91 91 ARG CG C 13 27.961 0.300 . 1 . . . . 391 . . . 5991 1 1188 . 1 1 91 91 ARG CD C 13 43.482 0.300 . 1 . . . . 391 . . . 5991 1 1189 . 1 1 91 91 ARG N N 15 122.980 0.500 . 1 . . . . 391 . . . 5991 1 1190 . 1 1 92 92 GLY H H 1 7.831 0.050 . 1 . . . . 392 . . . 5991 1 1191 . 1 1 92 92 GLY HA2 H 1 3.890 0.050 . 2 . . . . 392 . . . 5991 1 1192 . 1 1 92 92 GLY HA3 H 1 3.682 0.050 . 2 . . . . 392 . . . 5991 1 1193 . 1 1 92 92 GLY C C 13 175.931 0.300 . 1 . . . . 392 . . . 5991 1 1194 . 1 1 92 92 GLY CA C 13 46.584 0.300 . 1 . . . . 392 . . . 5991 1 1195 . 1 1 92 92 GLY N N 15 109.056 0.500 . 1 . . . . 392 . . . 5991 1 1196 . 1 1 93 93 LEU H H 1 8.020 0.050 . 1 . . . . 393 . . . 5991 1 1197 . 1 1 93 93 LEU HA H 1 4.047 0.050 . 1 . . . . 393 . . . 5991 1 1198 . 1 1 93 93 LEU HB2 H 1 1.884 0.050 . 1 . . . . 393 . . . 5991 1 1199 . 1 1 93 93 LEU HB3 H 1 1.233 0.050 . 1 . . . . 393 . . . 5991 1 1200 . 1 1 93 93 LEU HG H 1 1.598 0.050 . 1 . . . . 393 . . . 5991 1 1201 . 1 1 93 93 LEU HD11 H 1 0.477 0.050 . 1 . . . . 393 . . . 5991 1 1202 . 1 1 93 93 LEU HD12 H 1 0.477 0.050 . 1 . . . . 393 . . . 5991 1 1203 . 1 1 93 93 LEU HD13 H 1 0.477 0.050 . 1 . . . . 393 . . . 5991 1 1204 . 1 1 93 93 LEU HD21 H 1 0.543 0.050 . 1 . . . . 393 . . . 5991 1 1205 . 1 1 93 93 LEU HD22 H 1 0.543 0.050 . 1 . . . . 393 . . . 5991 1 1206 . 1 1 93 93 LEU HD23 H 1 0.543 0.050 . 1 . . . . 393 . . . 5991 1 1207 . 1 1 93 93 LEU C C 13 178.536 0.300 . 1 . . . . 393 . . . 5991 1 1208 . 1 1 93 93 LEU CA C 13 58.766 0.300 . 1 . . . . 393 . . . 5991 1 1209 . 1 1 93 93 LEU CB C 13 41.096 0.300 . 1 . . . . 393 . . . 5991 1 1210 . 1 1 93 93 LEU CG C 13 26.619 0.300 . 1 . . . . 393 . . . 5991 1 1211 . 1 1 93 93 LEU CD1 C 13 24.563 0.300 . 1 . . . . 393 . . . 5991 1 1212 . 1 1 93 93 LEU CD2 C 13 23.310 0.300 . 1 . . . . 393 . . . 5991 1 1213 . 1 1 93 93 LEU N N 15 120.728 0.500 . 1 . . . . 393 . . . 5991 1 1214 . 1 1 94 94 ARG H H 1 7.805 0.050 . 1 . . . . 394 . . . 5991 1 1215 . 1 1 94 94 ARG HA H 1 3.343 0.050 . 1 . . . . 394 . . . 5991 1 1216 . 1 1 94 94 ARG HB2 H 1 1.858 0.050 . 1 . . . . 394 . . . 5991 1 1217 . 1 1 94 94 ARG HB3 H 1 1.858 0.050 . 1 . . . . 394 . . . 5991 1 1218 . 1 1 94 94 ARG HG2 H 1 1.832 0.050 . 2 . . . . 394 . . . 5991 1 1219 . 1 1 94 94 ARG HG3 H 1 1.650 0.050 . 2 . . . . 394 . . . 5991 1 1220 . 1 1 94 94 ARG HD2 H 1 3.265 0.050 . 1 . . . . 394 . . . 5991 1 1221 . 1 1 94 94 ARG HD3 H 1 3.265 0.050 . 1 . . . . 394 . . . 5991 1 1222 . 1 1 94 94 ARG C C 13 178.809 0.300 . 1 . . . . 394 . . . 5991 1 1223 . 1 1 94 94 ARG CA C 13 58.579 0.300 . 1 . . . . 394 . . . 5991 1 1224 . 1 1 94 94 ARG CB C 13 29.444 0.300 . 1 . . . . 394 . . . 5991 1 1225 . 1 1 94 94 ARG CG C 13 26.900 0.300 . 1 . . . . 394 . . . 5991 1 1226 . 1 1 94 94 ARG CD C 13 43.455 0.300 . 1 . . . . 394 . . . 5991 1 1227 . 1 1 94 94 ARG N N 15 118.614 0.500 . 1 . . . . 394 . . . 5991 1 1228 . 1 1 95 95 TYR H H 1 7.420 0.050 . 1 . . . . 395 . . . 5991 1 1229 . 1 1 95 95 TYR HA H 1 4.307 0.050 . 1 . . . . 395 . . . 5991 1 1230 . 1 1 95 95 TYR HB2 H 1 2.874 0.050 . 1 . . . . 395 . . . 5991 1 1231 . 1 1 95 95 TYR HB3 H 1 3.057 0.050 . 1 . . . . 395 . . . 5991 1 1232 . 1 1 95 95 TYR HD1 H 1 6.777 0.050 . 1 . . . . 395 . . . 5991 1 1233 . 1 1 95 95 TYR HD2 H 1 6.777 0.050 . 1 . . . . 395 . . . 5991 1 1234 . 1 1 95 95 TYR HE1 H 1 6.841 0.050 . 1 . . . . 395 . . . 5991 1 1235 . 1 1 95 95 TYR HE2 H 1 6.841 0.050 . 1 . . . . 395 . . . 5991 1 1236 . 1 1 95 95 TYR C C 13 176.878 0.300 . 1 . . . . 395 . . . 5991 1 1237 . 1 1 95 95 TYR CA C 13 60.817 0.300 . 1 . . . . 395 . . . 5991 1 1238 . 1 1 95 95 TYR CB C 13 37.851 0.300 . 1 . . . . 395 . . . 5991 1 1239 . 1 1 95 95 TYR CD1 C 13 133.420 0.300 . 1 . . . . 395 . . . 5991 1 1240 . 1 1 95 95 TYR CD2 C 13 133.420 0.300 . 1 . . . . 395 . . . 5991 1 1241 . 1 1 95 95 TYR CE1 C 13 118.114 0.300 . 1 . . . . 395 . . . 5991 1 1242 . 1 1 95 95 TYR CE2 C 13 118.114 0.300 . 1 . . . . 395 . . . 5991 1 1243 . 1 1 95 95 TYR N N 15 120.039 0.500 . 1 . . . . 395 . . . 5991 1 1244 . 1 1 96 96 TYR H H 1 7.492 0.050 . 1 . . . . 396 . . . 5991 1 1245 . 1 1 96 96 TYR HA H 1 4.411 0.050 . 1 . . . . 396 . . . 5991 1 1246 . 1 1 96 96 TYR HB2 H 1 3.343 0.050 . 2 . . . . 396 . . . 5991 1 1247 . 1 1 96 96 TYR HB3 H 1 3.239 0.050 . 2 . . . . 396 . . . 5991 1 1248 . 1 1 96 96 TYR HD1 H 1 7.222 0.050 . 1 . . . . 396 . . . 5991 1 1249 . 1 1 96 96 TYR HD2 H 1 7.222 0.050 . 1 . . . . 396 . . . 5991 1 1250 . 1 1 96 96 TYR HE1 H 1 7.114 0.050 . 1 . . . . 396 . . . 5991 1 1251 . 1 1 96 96 TYR HE2 H 1 7.114 0.050 . 1 . . . . 396 . . . 5991 1 1252 . 1 1 96 96 TYR C C 13 176.426 0.300 . 1 . . . . 396 . . . 5991 1 1253 . 1 1 96 96 TYR CA C 13 59.325 0.300 . 1 . . . . 396 . . . 5991 1 1254 . 1 1 96 96 TYR CB C 13 38.001 0.300 . 1 . . . . 396 . . . 5991 1 1255 . 1 1 96 96 TYR CD1 C 13 132.487 0.300 . 1 . . . . 396 . . . 5991 1 1256 . 1 1 96 96 TYR CD2 C 13 132.487 0.300 . 1 . . . . 396 . . . 5991 1 1257 . 1 1 96 96 TYR CE1 C 13 119.241 0.300 . 1 . . . . 396 . . . 5991 1 1258 . 1 1 96 96 TYR CE2 C 13 119.241 0.300 . 1 . . . . 396 . . . 5991 1 1259 . 1 1 96 96 TYR N N 15 113.904 0.500 . 1 . . . . 396 . . . 5991 1 1260 . 1 1 97 97 TYR H H 1 8.189 0.050 . 9 . . . . 397 . . . 5991 1 1261 . 1 1 97 97 TYR HA H 1 5.349 0.050 . 9 . . . . 397 . . . 5991 1 1262 . 1 1 97 97 TYR HB2 H 1 3.552 0.050 . 2 . . . . 397 . . . 5991 1 1263 . 1 1 97 97 TYR HB3 H 1 3.447 0.050 . 2 . . . . 397 . . . 5991 1 1264 . 1 1 97 97 TYR HD1 H 1 7.339 0.050 . 1 . . . . 397 . . . 5991 1 1265 . 1 1 97 97 TYR HD2 H 1 7.339 0.050 . 1 . . . . 397 . . . 5991 1 1266 . 1 1 97 97 TYR HE1 H 1 6.767 0.050 . 1 . . . . 397 . . . 5991 1 1267 . 1 1 97 97 TYR HE2 H 1 6.767 0.050 . 1 . . . . 397 . . . 5991 1 1268 . 1 1 97 97 TYR C C 13 179.730 0.300 . 9 . . . . 397 . . . 5991 1 1269 . 1 1 97 97 TYR CA C 13 58.673 0.300 . 9 . . . . 397 . . . 5991 1 1270 . 1 1 97 97 TYR CB C 13 36.700 0.300 . 9 . . . . 397 . . . 5991 1 1271 . 1 1 97 97 TYR CD1 C 13 132.915 0.300 . 1 . . . . 397 . . . 5991 1 1272 . 1 1 97 97 TYR CD2 C 13 132.915 0.300 . 1 . . . . 397 . . . 5991 1 1273 . 1 1 97 97 TYR CE1 C 13 118.153 0.300 . 1 . . . . 397 . . . 5991 1 1274 . 1 1 97 97 TYR CE2 C 13 118.153 0.300 . 1 . . . . 397 . . . 5991 1 1275 . 1 1 97 97 TYR N N 15 123.302 0.500 . 9 . . . . 397 . . . 5991 1 1276 . 1 1 98 98 ASP H H 1 8.241 0.050 . 5 . . . . 398 . . . 5991 1 1277 . 1 1 98 98 ASP HA H 1 4.542 0.050 . 5 . . . . 398 . . . 5991 1 1278 . 1 1 98 98 ASP HB2 H 1 2.874 0.050 . 5 . . . . 398 . . . 5991 1 1279 . 1 1 98 98 ASP HB3 H 1 2.718 0.050 . 5 . . . . 398 . . . 5991 1 1280 . 1 1 98 98 ASP C C 13 176.018 0.300 . 5 . . . . 398 . . . 5991 1 1281 . 1 1 98 98 ASP CA C 13 56.083 0.300 . 5 . . . . 398 . . . 5991 1 1282 . 1 1 98 98 ASP CB C 13 40.233 0.300 . 5 . . . . 398 . . . 5991 1 1283 . 1 1 98 98 ASP N N 15 120.108 0.500 . 5 . . . . 398 . . . 5991 1 1284 . 1 1 99 99 LYS H H 1 7.959 0.050 . 9 . . . . 399 . . . 5991 1 1285 . 1 1 99 99 LYS HA H 1 4.398 0.050 . 9 . . . . 399 . . . 5991 1 1286 . 1 1 99 99 LYS HB2 H 1 2.119 0.050 . 9 . . . . 399 . . . 5991 1 1287 . 1 1 99 99 LYS HB3 H 1 1.574 0.050 . 9 . . . . 399 . . . 5991 1 1288 . 1 1 99 99 LYS HG2 H 1 1.548 0.050 . 9 . . . . 399 . . . 5991 1 1289 . 1 1 99 99 LYS HG3 H 1 1.493 0.050 . 9 . . . . 399 . . . 5991 1 1290 . 1 1 99 99 LYS HD2 H 1 1.337 0.050 . 9 . . . . 399 . . . 5991 1 1291 . 1 1 99 99 LYS HD3 H 1 1.285 0.050 . 9 . . . . 399 . . . 5991 1 1292 . 1 1 99 99 LYS HE2 H 1 2.987 0.050 . 9 . . . . 399 . . . 5991 1 1293 . 1 1 99 99 LYS HE3 H 1 2.827 0.050 . 9 . . . . 399 . . . 5991 1 1294 . 1 1 99 99 LYS C C 13 175.413 0.300 . 9 . . . . 399 . . . 5991 1 1295 . 1 1 99 99 LYS CA C 13 54.104 0.300 . 9 . . . . 399 . . . 5991 1 1296 . 1 1 99 99 LYS CB C 13 32.588 0.300 . 9 . . . . 399 . . . 5991 1 1297 . 1 1 99 99 LYS CG C 13 27.740 0.300 . 9 . . . . 399 . . . 5991 1 1298 . 1 1 99 99 LYS CD C 13 24.569 0.300 . 9 . . . . 399 . . . 5991 1 1299 . 1 1 99 99 LYS CE C 13 42.125 0.300 . 9 . . . . 399 . . . 5991 1 1300 . 1 1 99 99 LYS N N 15 119.304 0.500 . 9 . . . . 399 . . . 5991 1 1301 . 1 1 100 100 ASN H H 1 8.163 0.050 . 1 . . . . 400 . . . 5991 1 1302 . 1 1 100 100 ASN HA H 1 4.151 0.050 . 1 . . . . 400 . . . 5991 1 1303 . 1 1 100 100 ASN HB2 H 1 2.770 0.050 . 1 . . . . 400 . . . 5991 1 1304 . 1 1 100 100 ASN HB3 H 1 3.005 0.050 . 1 . . . . 400 . . . 5991 1 1305 . 1 1 100 100 ASN HD21 H 1 7.538 0.050 . 1 . . . . 400 . . . 5991 1 1306 . 1 1 100 100 ASN HD22 H 1 6.867 0.050 . 1 . . . . 400 . . . 5991 1 1307 . 1 1 100 100 ASN C C 13 173.289 0.300 . 1 . . . . 400 . . . 5991 1 1308 . 1 1 100 100 ASN CA C 13 54.850 0.300 . 1 . . . . 400 . . . 5991 1 1309 . 1 1 100 100 ASN CB C 13 36.988 0.300 . 1 . . . . 400 . . . 5991 1 1310 . 1 1 100 100 ASN CG C 13 177.946 0.300 . 1 . . . . 400 . . . 5991 1 1311 . 1 1 100 100 ASN N N 15 115.375 0.500 . 1 . . . . 400 . . . 5991 1 1312 . 1 1 100 100 ASN ND2 N 15 113.537 0.500 . 1 . . . . 400 . . . 5991 1 1313 . 1 1 101 101 ILE H H 1 7.876 0.050 . 1 . . . . 401 . . . 5991 1 1314 . 1 1 101 101 ILE HA H 1 4.164 0.050 . 1 . . . . 401 . . . 5991 1 1315 . 1 1 101 101 ILE HB H 1 1.415 0.050 . 1 . . . . 401 . . . 5991 1 1316 . 1 1 101 101 ILE HG12 H 1 0.738 0.050 . 2 . . . . 401 . . . 5991 1 1317 . 1 1 101 101 ILE HG13 H 1 1.399 0.050 . 2 . . . . 401 . . . 5991 1 1318 . 1 1 101 101 ILE HG21 H 1 0.250 0.050 . 1 . . . . 401 . . . 5991 1 1319 . 1 1 101 101 ILE HG22 H 1 0.250 0.050 . 1 . . . . 401 . . . 5991 1 1320 . 1 1 101 101 ILE HG23 H 1 0.250 0.050 . 1 . . . . 401 . . . 5991 1 1321 . 1 1 101 101 ILE HD11 H 1 0.517 0.050 . 1 . . . . 401 . . . 5991 1 1322 . 1 1 101 101 ILE HD12 H 1 0.517 0.050 . 1 . . . . 401 . . . 5991 1 1323 . 1 1 101 101 ILE HD13 H 1 0.517 0.050 . 1 . . . . 401 . . . 5991 1 1324 . 1 1 101 101 ILE C C 13 176.287 0.300 . 1 . . . . 401 . . . 5991 1 1325 . 1 1 101 101 ILE CA C 13 61.004 0.300 . 1 . . . . 401 . . . 5991 1 1326 . 1 1 101 101 ILE CB C 13 40.386 0.300 . 1 . . . . 401 . . . 5991 1 1327 . 1 1 101 101 ILE CG1 C 13 27.918 0.300 . 1 . . . . 401 . . . 5991 1 1328 . 1 1 101 101 ILE CG2 C 13 15.559 0.300 . 1 . . . . 401 . . . 5991 1 1329 . 1 1 101 101 ILE CD1 C 13 12.500 0.300 . 1 . . . . 401 . . . 5991 1 1330 . 1 1 101 101 ILE N N 15 113.881 0.500 . 1 . . . . 401 . . . 5991 1 1331 . 1 1 102 102 ILE H H 1 6.984 0.050 . 9 . . . . 402 . . . 5991 1 1332 . 1 1 102 102 ILE HA H 1 4.984 0.050 . 1 . . . . 402 . . . 5991 1 1333 . 1 1 102 102 ILE HB H 1 1.546 0.050 . 1 . . . . 402 . . . 5991 1 1334 . 1 1 102 102 ILE HG12 H 1 1.467 0.050 . 2 . . . . 402 . . . 5991 1 1335 . 1 1 102 102 ILE HG13 H 1 0.634 0.050 . 2 . . . . 402 . . . 5991 1 1336 . 1 1 102 102 ILE HG21 H 1 0.901 0.050 . 1 . . . . 402 . . . 5991 1 1337 . 1 1 102 102 ILE HG22 H 1 0.901 0.050 . 1 . . . . 402 . . . 5991 1 1338 . 1 1 102 102 ILE HG23 H 1 0.901 0.050 . 1 . . . . 402 . . . 5991 1 1339 . 1 1 102 102 ILE HD11 H 1 0.556 0.050 . 1 . . . . 402 . . . 5991 1 1340 . 1 1 102 102 ILE HD12 H 1 0.556 0.050 . 1 . . . . 402 . . . 5991 1 1341 . 1 1 102 102 ILE HD13 H 1 0.556 0.050 . 1 . . . . 402 . . . 5991 1 1342 . 1 1 102 102 ILE C C 13 174.093 0.300 . 1 . . . . 402 . . . 5991 1 1343 . 1 1 102 102 ILE CA C 13 59.698 0.300 . 1 . . . . 402 . . . 5991 1 1344 . 1 1 102 102 ILE CB C 13 43.002 0.300 . 1 . . . . 402 . . . 5991 1 1345 . 1 1 102 102 ILE CG1 C 13 28.485 0.300 . 1 . . . . 402 . . . 5991 1 1346 . 1 1 102 102 ILE CG2 C 13 19.027 0.300 . 1 . . . . 402 . . . 5991 1 1347 . 1 1 102 102 ILE CD1 C 13 13.934 0.300 . 1 . . . . 402 . . . 5991 1 1348 . 1 1 102 102 ILE N N 15 118.066 0.500 . 9 . . . . 402 . . . 5991 1 1349 . 1 1 103 103 HIS H H 1 8.990 0.050 . 1 . . . . 403 . . . 5991 1 1350 . 1 1 103 103 HIS HA H 1 5.115 0.050 . 1 . . . . 403 . . . 5991 1 1351 . 1 1 103 103 HIS HB2 H 1 2.952 0.050 . 1 . . . . 403 . . . 5991 1 1352 . 1 1 103 103 HIS HB3 H 1 3.135 0.050 . 1 . . . . 403 . . . 5991 1 1353 . 1 1 103 103 HIS HD2 H 1 7.227 0.050 . 1 . . . . 403 . . . 5991 1 1354 . 1 1 103 103 HIS HE1 H 1 8.200 0.050 . 1 . . . . 403 . . . 5991 1 1355 . 1 1 103 103 HIS C C 13 174.018 0.300 . 1 . . . . 403 . . . 5991 1 1356 . 1 1 103 103 HIS CA C 13 53.171 0.300 . 1 . . . . 403 . . . 5991 1 1357 . 1 1 103 103 HIS CB C 13 34.230 0.300 . 1 . . . . 403 . . . 5991 1 1358 . 1 1 103 103 HIS CD2 C 13 117.842 0.300 . 1 . . . . 403 . . . 5991 1 1359 . 1 1 103 103 HIS CE1 C 13 138.212 0.300 . 1 . . . . 403 . . . 5991 1 1360 . 1 1 103 103 HIS N N 15 123.187 0.500 . 1 . . . . 403 . . . 5991 1 1361 . 1 1 104 104 LYS H H 1 8.352 0.050 . 1 . . . . 404 . . . 5991 1 1362 . 1 1 104 104 LYS HA H 1 4.255 0.050 . 1 . . . . 404 . . . 5991 1 1363 . 1 1 104 104 LYS HB2 H 1 1.598 0.050 . 1 . . . . 404 . . . 5991 1 1364 . 1 1 104 104 LYS HB3 H 1 1.598 0.050 . 1 . . . . 404 . . . 5991 1 1365 . 1 1 104 104 LYS HG2 H 1 1.285 0.050 . 2 . . . . 404 . . . 5991 1 1366 . 1 1 104 104 LYS HG3 H 1 1.361 0.050 . 2 . . . . 404 . . . 5991 1 1367 . 1 1 104 104 LYS HD2 H 1 1.129 0.050 . 2 . . . . 404 . . . 5991 1 1368 . 1 1 104 104 LYS HD3 H 1 0.738 0.050 . 2 . . . . 404 . . . 5991 1 1369 . 1 1 104 104 LYS HE2 H 1 3.048 0.050 . 5 . . . . 404 . . . 5991 1 1370 . 1 1 104 104 LYS HE3 H 1 2.848 0.050 . 5 . . . . 404 . . . 5991 1 1371 . 1 1 104 104 LYS C C 13 176.312 0.300 . 1 . . . . 404 . . . 5991 1 1372 . 1 1 104 104 LYS CA C 13 56.342 0.300 . 1 . . . . 404 . . . 5991 1 1373 . 1 1 104 104 LYS CB C 13 33.944 0.300 . 1 . . . . 404 . . . 5991 1 1374 . 1 1 104 104 LYS CG C 13 28.838 0.300 . 1 . . . . 404 . . . 5991 1 1375 . 1 1 104 104 LYS CD C 13 25.138 0.300 . 1 . . . . 404 . . . 5991 1 1376 . 1 1 104 104 LYS CE C 13 42.273 0.300 . 5 . . . . 404 . . . 5991 1 1377 . 1 1 104 104 LYS N N 15 124.726 0.500 . 1 . . . . 404 . . . 5991 1 1378 . 1 1 105 105 THR H H 1 8.111 0.050 . 1 . . . . 405 . . . 5991 1 1379 . 1 1 105 105 THR HA H 1 4.066 0.050 . 1 . . . . 405 . . . 5991 1 1380 . 1 1 105 105 THR HB H 1 3.578 0.050 . 1 . . . . 405 . . . 5991 1 1381 . 1 1 105 105 THR HG21 H 1 1.207 0.050 . 1 . . . . 405 . . . 5991 1 1382 . 1 1 105 105 THR HG22 H 1 1.207 0.050 . 1 . . . . 405 . . . 5991 1 1383 . 1 1 105 105 THR HG23 H 1 1.207 0.050 . 1 . . . . 405 . . . 5991 1 1384 . 1 1 105 105 THR C C 13 173.803 0.300 . 1 . . . . 405 . . . 5991 1 1385 . 1 1 105 105 THR CA C 13 63.614 0.300 . 1 . . . . 405 . . . 5991 1 1386 . 1 1 105 105 THR CB C 13 68.468 0.300 . 1 . . . . 405 . . . 5991 1 1387 . 1 1 105 105 THR CG2 C 13 22.323 0.300 . 1 . . . . 405 . . . 5991 1 1388 . 1 1 105 105 THR N N 15 125.599 0.500 . 1 . . . . 405 . . . 5991 1 1389 . 1 1 106 106 ALA H H 1 8.697 0.050 . 1 . . . . 406 . . . 5991 1 1390 . 1 1 106 106 ALA HA H 1 4.164 0.050 . 1 . . . . 406 . . . 5991 1 1391 . 1 1 106 106 ALA HB1 H 1 1.402 0.050 . 1 . . . . 406 . . . 5991 1 1392 . 1 1 106 106 ALA HB2 H 1 1.402 0.050 . 1 . . . . 406 . . . 5991 1 1393 . 1 1 106 106 ALA HB3 H 1 1.402 0.050 . 1 . . . . 406 . . . 5991 1 1394 . 1 1 106 106 ALA C C 13 178.471 0.300 . 1 . . . . 406 . . . 5991 1 1395 . 1 1 106 106 ALA CA C 13 53.917 0.300 . 1 . . . . 406 . . . 5991 1 1396 . 1 1 106 106 ALA CB C 13 18.560 0.300 . 1 . . . . 406 . . . 5991 1 1397 . 1 1 106 106 ALA N N 15 133.362 0.500 . 1 . . . . 406 . . . 5991 1 1398 . 1 1 107 107 GLY H H 1 8.671 0.050 . 9 . . . . 407 . . . 5991 1 1399 . 1 1 107 107 GLY HA2 H 1 4.072 0.050 . 2 . . . . 407 . . . 5991 1 1400 . 1 1 107 107 GLY HA3 H 1 3.708 0.050 . 2 . . . . 407 . . . 5991 1 1401 . 1 1 107 107 GLY C C 13 173.474 0.300 . 1 . . . . 407 . . . 5991 1 1402 . 1 1 107 107 GLY CA C 13 45.367 0.300 . 1 . . . . 407 . . . 5991 1 1403 . 1 1 107 107 GLY N N 15 109.424 0.500 . 9 . . . . 407 . . . 5991 1 1404 . 1 1 108 108 LYS H H 1 7.108 0.050 . 1 . . . . 408 . . . 5991 1 1405 . 1 1 108 108 LYS HA H 1 4.672 0.050 . 1 . . . . 408 . . . 5991 1 1406 . 1 1 108 108 LYS HB2 H 1 1.417 0.050 . 1 . . . . 408 . . . 5991 1 1407 . 1 1 108 108 LYS HB3 H 1 1.806 0.050 . 1 . . . . 408 . . . 5991 1 1408 . 1 1 108 108 LYS HG2 H 1 1.467 0.050 . 2 . . . . 408 . . . 5991 1 1409 . 1 1 108 108 LYS HG3 H 1 1.389 0.050 . 2 . . . . 408 . . . 5991 1 1410 . 1 1 108 108 LYS HD2 H 1 1.285 0.050 . 2 . . . . 408 . . . 5991 1 1411 . 1 1 108 108 LYS HD3 H 1 1.259 0.050 . 2 . . . . 408 . . . 5991 1 1412 . 1 1 108 108 LYS HE2 H 1 2.952 0.050 . 5 . . . . 408 . . . 5991 1 1413 . 1 1 108 108 LYS HE3 H 1 2.952 0.050 . 5 . . . . 408 . . . 5991 1 1414 . 1 1 108 108 LYS C C 13 174.970 0.300 . 1 . . . . 408 . . . 5991 1 1415 . 1 1 108 108 LYS CA C 13 54.104 0.300 . 1 . . . . 408 . . . 5991 1 1416 . 1 1 108 108 LYS CB C 13 35.369 0.300 . 1 . . . . 408 . . . 5991 1 1417 . 1 1 108 108 LYS CG C 13 29.430 0.300 . 1 . . . . 408 . . . 5991 1 1418 . 1 1 108 108 LYS CD C 13 25.122 0.300 . 1 . . . . 408 . . . 5991 1 1419 . 1 1 108 108 LYS CE C 13 42.266 0.300 . 5 . . . . 408 . . . 5991 1 1420 . 1 1 108 108 LYS N N 15 117.833 0.500 . 1 . . . . 408 . . . 5991 1 1421 . 1 1 109 109 ARG H H 1 8.306 0.050 . 1 . . . . 409 . . . 5991 1 1422 . 1 1 109 109 ARG HA H 1 4.418 0.050 . 1 . . . . 409 . . . 5991 1 1423 . 1 1 109 109 ARG HB2 H 1 2.329 0.050 . 2 . . . . 409 . . . 5991 1 1424 . 1 1 109 109 ARG HB3 H 1 1.962 0.050 . 2 . . . . 409 . . . 5991 1 1425 . 1 1 109 109 ARG HG2 H 1 2.067 0.050 . 2 . . . . 409 . . . 5991 1 1426 . 1 1 109 109 ARG HG3 H 1 1.988 0.050 . 2 . . . . 409 . . . 5991 1 1427 . 1 1 109 109 ARG HD2 H 1 3.233 0.050 . 1 . . . . 409 . . . 5991 1 1428 . 1 1 109 109 ARG HD3 H 1 3.233 0.050 . 1 . . . . 409 . . . 5991 1 1429 . 1 1 109 109 ARG C C 13 176.603 0.300 . 1 . . . . 409 . . . 5991 1 1430 . 1 1 109 109 ARG CA C 13 55.969 0.300 . 1 . . . . 409 . . . 5991 1 1431 . 1 1 109 109 ARG CB C 13 32.289 0.300 . 1 . . . . 409 . . . 5991 1 1432 . 1 1 109 109 ARG CG C 13 30.503 0.300 . 1 . . . . 409 . . . 5991 1 1433 . 1 1 109 109 ARG CD C 13 43.403 0.300 . 1 . . . . 409 . . . 5991 1 1434 . 1 1 109 109 ARG N N 15 121.739 0.500 . 1 . . . . 409 . . . 5991 1 1435 . 1 1 110 110 TYR H H 1 8.501 0.050 . 1 . . . . 410 . . . 5991 1 1436 . 1 1 110 110 TYR HA H 1 4.255 0.050 . 1 . . . . 410 . . . 5991 1 1437 . 1 1 110 110 TYR HB2 H 1 3.109 0.050 . 2 . . . . 410 . . . 5991 1 1438 . 1 1 110 110 TYR HB3 H 1 2.666 0.050 . 2 . . . . 410 . . . 5991 1 1439 . 1 1 110 110 TYR HD1 H 1 7.236 0.050 . 1 . . . . 410 . . . 5991 1 1440 . 1 1 110 110 TYR HD2 H 1 7.236 0.050 . 1 . . . . 410 . . . 5991 1 1441 . 1 1 110 110 TYR HE1 H 1 6.753 0.050 . 1 . . . . 410 . . . 5991 1 1442 . 1 1 110 110 TYR HE2 H 1 6.753 0.050 . 1 . . . . 410 . . . 5991 1 1443 . 1 1 110 110 TYR C C 13 173.614 0.300 . 1 . . . . 410 . . . 5991 1 1444 . 1 1 110 110 TYR CA C 13 56.674 0.300 . 1 . . . . 410 . . . 5991 1 1445 . 1 1 110 110 TYR CB C 13 36.690 0.300 . 1 . . . . 410 . . . 5991 1 1446 . 1 1 110 110 TYR CD1 C 13 133.381 0.300 . 1 . . . . 410 . . . 5991 1 1447 . 1 1 110 110 TYR CD2 C 13 133.381 0.300 . 1 . . . . 410 . . . 5991 1 1448 . 1 1 110 110 TYR CE1 C 13 118.192 0.300 . 1 . . . . 410 . . . 5991 1 1449 . 1 1 110 110 TYR CE2 C 13 118.192 0.300 . 1 . . . . 410 . . . 5991 1 1450 . 1 1 110 110 TYR N N 15 117.374 0.500 . 1 . . . . 410 . . . 5991 1 1451 . 1 1 111 111 VAL H H 1 7.004 0.050 . 9 . . . . 411 . . . 5991 1 1452 . 1 1 111 111 VAL HA H 1 4.880 0.050 . 1 . . . . 411 . . . 5991 1 1453 . 1 1 111 111 VAL HB H 1 1.493 0.050 . 1 . . . . 411 . . . 5991 1 1454 . 1 1 111 111 VAL HG11 H 1 0.907 0.050 . 1 . . . . 411 . . . 5991 1 1455 . 1 1 111 111 VAL HG12 H 1 0.907 0.050 . 1 . . . . 411 . . . 5991 1 1456 . 1 1 111 111 VAL HG13 H 1 0.907 0.050 . 1 . . . . 411 . . . 5991 1 1457 . 1 1 111 111 VAL HG21 H 1 0.875 0.050 . 1 . . . . 411 . . . 5991 1 1458 . 1 1 111 111 VAL HG22 H 1 0.875 0.050 . 1 . . . . 411 . . . 5991 1 1459 . 1 1 111 111 VAL HG23 H 1 0.875 0.050 . 1 . . . . 411 . . . 5991 1 1460 . 1 1 111 111 VAL C C 13 174.630 0.300 . 1 . . . . 411 . . . 5991 1 1461 . 1 1 111 111 VAL CA C 13 61.750 0.300 . 1 . . . . 411 . . . 5991 1 1462 . 1 1 111 111 VAL CB C 13 33.478 0.300 . 1 . . . . 411 . . . 5991 1 1463 . 1 1 111 111 VAL CG1 C 13 22.174 0.300 . 1 . . . . 411 . . . 5991 1 1464 . 1 1 111 111 VAL CG2 C 13 22.378 0.300 . 1 . . . . 411 . . . 5991 1 1465 . 1 1 111 111 VAL N N 15 118.086 0.500 . 9 . . . . 411 . . . 5991 1 1466 . 1 1 112 112 TYR H H 1 8.736 0.050 . 1 . . . . 412 . . . 5991 1 1467 . 1 1 112 112 TYR HA H 1 4.906 0.050 . 1 . . . . 412 . . . 5991 1 1468 . 1 1 112 112 TYR HB2 H 1 1.207 0.050 . 1 . . . . 412 . . . 5991 1 1469 . 1 1 112 112 TYR HB3 H 1 2.431 0.050 . 1 . . . . 412 . . . 5991 1 1470 . 1 1 112 112 TYR HD1 H 1 6.626 0.050 . 1 . . . . 412 . . . 5991 1 1471 . 1 1 112 112 TYR HD2 H 1 6.626 0.050 . 1 . . . . 412 . . . 5991 1 1472 . 1 1 112 112 TYR HE1 H 1 6.841 0.050 . 1 . . . . 412 . . . 5991 1 1473 . 1 1 112 112 TYR HE2 H 1 6.841 0.050 . 1 . . . . 412 . . . 5991 1 1474 . 1 1 112 112 TYR C C 13 172.663 0.300 . 1 . . . . 412 . . . 5991 1 1475 . 1 1 112 112 TYR CA C 13 55.969 0.300 . 1 . . . . 412 . . . 5991 1 1476 . 1 1 112 112 TYR CB C 13 43.238 0.300 . 1 . . . . 412 . . . 5991 1 1477 . 1 1 112 112 TYR CD1 C 13 132.992 0.300 . 1 . . . . 412 . . . 5991 1 1478 . 1 1 112 112 TYR CD2 C 13 132.992 0.300 . 1 . . . . 412 . . . 5991 1 1479 . 1 1 112 112 TYR CE1 C 13 118.270 0.300 . 1 . . . . 412 . . . 5991 1 1480 . 1 1 112 112 TYR CE2 C 13 118.270 0.300 . 1 . . . . 412 . . . 5991 1 1481 . 1 1 112 112 TYR N N 15 126.978 0.500 . 1 . . . . 412 . . . 5991 1 1482 . 1 1 113 113 ARG H H 1 9.075 0.050 . 1 . . . . 413 . . . 5991 1 1483 . 1 1 113 113 ARG HA H 1 5.245 0.050 . 1 . . . . 413 . . . 5991 1 1484 . 1 1 113 113 ARG HB2 H 1 1.754 0.050 . 1 . . . . 413 . . . 5991 1 1485 . 1 1 113 113 ARG HB3 H 1 1.676 0.050 . 1 . . . . 413 . . . 5991 1 1486 . 1 1 113 113 ARG HG2 H 1 1.705 0.050 . 2 . . . . 413 . . . 5991 1 1487 . 1 1 113 113 ARG HG3 H 1 1.415 0.050 . 2 . . . . 413 . . . 5991 1 1488 . 1 1 113 113 ARG HD2 H 1 3.578 0.050 . 2 . . . . 413 . . . 5991 1 1489 . 1 1 113 113 ARG HD3 H 1 3.054 0.050 . 2 . . . . 413 . . . 5991 1 1490 . 1 1 113 113 ARG HE H 1 7.839 0.050 . 1 . . . . 413 . . . 5991 1 1491 . 1 1 113 113 ARG C C 13 177.068 0.300 . 1 . . . . 413 . . . 5991 1 1492 . 1 1 113 113 ARG CA C 13 55.409 0.300 . 1 . . . . 413 . . . 5991 1 1493 . 1 1 113 113 ARG CB C 13 35.896 0.300 . 1 . . . . 413 . . . 5991 1 1494 . 1 1 113 113 ARG CG C 13 26.821 0.300 . 1 . . . . 413 . . . 5991 1 1495 . 1 1 113 113 ARG CD C 13 43.483 0.300 . 1 . . . . 413 . . . 5991 1 1496 . 1 1 113 113 ARG N N 15 117.374 0.500 . 1 . . . . 413 . . . 5991 1 1497 . 1 1 113 113 ARG NE N 15 82.679 0.500 . 1 . . . . 413 . . . 5991 1 1498 . 1 1 114 114 PHE H H 1 8.000 0.050 . 1 . . . . 414 . . . 5991 1 1499 . 1 1 114 114 PHE HA H 1 5.167 0.050 . 1 . . . . 414 . . . 5991 1 1500 . 1 1 114 114 PHE HB2 H 1 3.213 0.050 . 2 . . . . 414 . . . 5991 1 1501 . 1 1 114 114 PHE HB3 H 1 3.109 0.050 . 2 . . . . 414 . . . 5991 1 1502 . 1 1 114 114 PHE HD1 H 1 7.666 0.050 . 1 . . . . 414 . . . 5991 1 1503 . 1 1 114 114 PHE HD2 H 1 7.666 0.050 . 1 . . . . 414 . . . 5991 1 1504 . 1 1 114 114 PHE HE1 H 1 7.051 0.050 . 1 . . . . 414 . . . 5991 1 1505 . 1 1 114 114 PHE HE2 H 1 7.051 0.050 . 1 . . . . 414 . . . 5991 1 1506 . 1 1 114 114 PHE HZ H 1 6.890 0.050 . 1 . . . . 414 . . . 5991 1 1507 . 1 1 114 114 PHE C C 13 176.390 0.300 . 1 . . . . 414 . . . 5991 1 1508 . 1 1 114 114 PHE CA C 13 59.698 0.300 . 1 . . . . 414 . . . 5991 1 1509 . 1 1 114 114 PHE CB C 13 40.144 0.300 . 1 . . . . 414 . . . 5991 1 1510 . 1 1 114 114 PHE CD1 C 13 132.176 0.300 . 1 . . . . 414 . . . 5991 1 1511 . 1 1 114 114 PHE CD2 C 13 132.176 0.300 . 1 . . . . 414 . . . 5991 1 1512 . 1 1 114 114 PHE CE1 C 13 131.788 0.300 . 1 . . . . 414 . . . 5991 1 1513 . 1 1 114 114 PHE CE2 C 13 131.788 0.300 . 1 . . . . 414 . . . 5991 1 1514 . 1 1 114 114 PHE CZ C 13 128.991 0.300 . 1 . . . . 414 . . . 5991 1 1515 . 1 1 114 114 PHE N N 15 124.244 0.500 . 1 . . . . 414 . . . 5991 1 1516 . 1 1 115 115 VAL H H 1 8.124 0.050 . 1 . . . . 415 . . . 5991 1 1517 . 1 1 115 115 VAL HA H 1 4.385 0.050 . 1 . . . . 415 . . . 5991 1 1518 . 1 1 115 115 VAL HB H 1 2.171 0.050 . 1 . . . . 415 . . . 5991 1 1519 . 1 1 115 115 VAL HG11 H 1 0.686 0.050 . 1 . . . . 415 . . . 5991 1 1520 . 1 1 115 115 VAL HG12 H 1 0.686 0.050 . 1 . . . . 415 . . . 5991 1 1521 . 1 1 115 115 VAL HG13 H 1 0.686 0.050 . 1 . . . . 415 . . . 5991 1 1522 . 1 1 115 115 VAL HG21 H 1 0.132 0.050 . 1 . . . . 415 . . . 5991 1 1523 . 1 1 115 115 VAL HG22 H 1 0.132 0.050 . 1 . . . . 415 . . . 5991 1 1524 . 1 1 115 115 VAL HG23 H 1 0.132 0.050 . 1 . . . . 415 . . . 5991 1 1525 . 1 1 115 115 VAL C C 13 176.360 0.300 . 1 . . . . 415 . . . 5991 1 1526 . 1 1 115 115 VAL CA C 13 61.750 0.300 . 1 . . . . 415 . . . 5991 1 1527 . 1 1 115 115 VAL CB C 13 31.797 0.300 . 1 . . . . 415 . . . 5991 1 1528 . 1 1 115 115 VAL CG1 C 13 21.416 0.300 . 1 . . . . 415 . . . 5991 1 1529 . 1 1 115 115 VAL CG2 C 13 17.784 0.300 . 1 . . . . 415 . . . 5991 1 1530 . 1 1 115 115 VAL N N 15 115.673 0.500 . 1 . . . . 415 . . . 5991 1 1531 . 1 1 116 116 SER H H 1 7.648 0.050 . 1 . . . . 416 . . . 5991 1 1532 . 1 1 116 116 SER HA H 1 4.463 0.050 . 1 . . . . 416 . . . 5991 1 1533 . 1 1 116 116 SER HB2 H 1 3.916 0.050 . 2 . . . . 416 . . . 5991 1 1534 . 1 1 116 116 SER HB3 H 1 3.802 0.050 . 2 . . . . 416 . . . 5991 1 1535 . 1 1 116 116 SER C C 13 174.598 0.300 . 1 . . . . 416 . . . 5991 1 1536 . 1 1 116 116 SER CA C 13 58.206 0.300 . 1 . . . . 416 . . . 5991 1 1537 . 1 1 116 116 SER CB C 13 63.371 0.300 . 1 . . . . 416 . . . 5991 1 1538 . 1 1 116 116 SER N N 15 116.064 0.500 . 1 . . . . 416 . . . 5991 1 1539 . 1 1 117 117 ASP H H 1 8.488 0.050 . 1 . . . . 417 . . . 5991 1 1540 . 1 1 117 117 ASP HA H 1 4.255 0.050 . 1 . . . . 417 . . . 5991 1 1541 . 1 1 117 117 ASP HB2 H 1 3.109 0.050 . 2 . . . . 417 . . . 5991 1 1542 . 1 1 117 117 ASP HB3 H 1 2.907 0.050 . 2 . . . . 417 . . . 5991 1 1543 . 1 1 117 117 ASP C C 13 177.389 0.300 . 1 . . . . 417 . . . 5991 1 1544 . 1 1 117 117 ASP CA C 13 53.271 0.300 . 1 . . . . 417 . . . 5991 1 1545 . 1 1 117 117 ASP CB C 13 38.480 0.300 . 1 . . . . 417 . . . 5991 1 1546 . 1 1 117 117 ASP N N 15 119.740 0.500 . 1 . . . . 417 . . . 5991 1 1547 . 1 1 118 118 LEU H H 1 7.596 0.050 . 1 . . . . 418 . . . 5991 1 1548 . 1 1 118 118 LEU HA H 1 3.792 0.050 . 1 . . . . 418 . . . 5991 1 1549 . 1 1 118 118 LEU HB2 H 1 0.425 0.050 . 2 . . . . 418 . . . 5991 1 1550 . 1 1 118 118 LEU HB3 H 1 0.297 0.050 . 2 . . . . 418 . . . 5991 1 1551 . 1 1 118 118 LEU HG H 1 0.920 0.050 . 1 . . . . 418 . . . 5991 1 1552 . 1 1 118 118 LEU HD11 H 1 -0.180 0.050 . 1 . . . . 418 . . . 5991 1 1553 . 1 1 118 118 LEU HD12 H 1 -0.180 0.050 . 1 . . . . 418 . . . 5991 1 1554 . 1 1 118 118 LEU HD13 H 1 -0.180 0.050 . 1 . . . . 418 . . . 5991 1 1555 . 1 1 118 118 LEU HD21 H 1 0.126 0.050 . 1 . . . . 418 . . . 5991 1 1556 . 1 1 118 118 LEU HD22 H 1 0.126 0.050 . 1 . . . . 418 . . . 5991 1 1557 . 1 1 118 118 LEU HD23 H 1 0.126 0.050 . 1 . . . . 418 . . . 5991 1 1558 . 1 1 118 118 LEU C C 13 178.650 0.300 . 1 . . . . 418 . . . 5991 1 1559 . 1 1 118 118 LEU CA C 13 56.715 0.300 . 1 . . . . 418 . . . 5991 1 1560 . 1 1 118 118 LEU CB C 13 40.381 0.300 . 1 . . . . 418 . . . 5991 1 1561 . 1 1 118 118 LEU CG C 13 26.061 0.300 . 1 . . . . 418 . . . 5991 1 1562 . 1 1 118 118 LEU CD1 C 13 25.029 0.300 . 1 . . . . 418 . . . 5991 1 1563 . 1 1 118 118 LEU CD2 C 13 22.815 0.300 . 1 . . . . 418 . . . 5991 1 1564 . 1 1 118 118 LEU N N 15 124.772 0.500 . 1 . . . . 418 . . . 5991 1 1565 . 1 1 119 119 GLN H H 1 8.788 0.050 . 1 . . . . 419 . . . 5991 1 1566 . 1 1 119 119 GLN HA H 1 4.594 0.050 . 1 . . . . 419 . . . 5991 1 1567 . 1 1 119 119 GLN HB2 H 1 2.275 0.050 . 2 . . . . 419 . . . 5991 1 1568 . 1 1 119 119 GLN HB3 H 1 2.511 0.050 . 2 . . . . 419 . . . 5991 1 1569 . 1 1 119 119 GLN HG2 H 1 2.536 0.050 . 2 . . . . 419 . . . 5991 1 1570 . 1 1 119 119 GLN HG3 H 1 2.431 0.050 . 2 . . . . 419 . . . 5991 1 1571 . 1 1 119 119 GLN HE21 H 1 7.603 0.050 . 1 . . . . 419 . . . 5991 1 1572 . 1 1 119 119 GLN HE22 H 1 6.886 0.050 . 1 . . . . 419 . . . 5991 1 1573 . 1 1 119 119 GLN C C 13 179.747 0.300 . 1 . . . . 419 . . . 5991 1 1574 . 1 1 119 119 GLN CA C 13 59.885 0.300 . 1 . . . . 419 . . . 5991 1 1575 . 1 1 119 119 GLN CB C 13 28.468 0.300 . 1 . . . . 419 . . . 5991 1 1576 . 1 1 119 119 GLN CG C 13 33.693 0.300 . 1 . . . . 419 . . . 5991 1 1577 . 1 1 119 119 GLN CD C 13 179.870 0.300 . 1 . . . . 419 . . . 5991 1 1578 . 1 1 119 119 GLN N N 15 120.751 0.500 . 1 . . . . 419 . . . 5991 1 1579 . 1 1 119 119 GLN NE2 N 15 112.089 0.500 . 1 . . . . 419 . . . 5991 1 1580 . 1 1 120 120 SER H H 1 7.720 0.050 . 1 . . . . 420 . . . 5991 1 1581 . 1 1 120 120 SER HA H 1 4.242 0.050 . 1 . . . . 420 . . . 5991 1 1582 . 1 1 120 120 SER HB2 H 1 3.857 0.050 . 2 . . . . 420 . . . 5991 1 1583 . 1 1 120 120 SER HB3 H 1 3.813 0.050 . 2 . . . . 420 . . . 5991 1 1584 . 1 1 120 120 SER C C 13 175.096 0.300 . 1 . . . . 420 . . . 5991 1 1585 . 1 1 120 120 SER CA C 13 61.190 0.300 . 1 . . . . 420 . . . 5991 1 1586 . 1 1 120 120 SER CB C 13 62.227 0.300 . 1 . . . . 420 . . . 5991 1 1587 . 1 1 120 120 SER N N 15 114.869 0.500 . 1 . . . . 420 . . . 5991 1 1588 . 1 1 121 121 LEU H H 1 7.127 0.050 . 1 . . . . 421 . . . 5991 1 1589 . 1 1 121 121 LEU HA H 1 4.437 0.050 . 1 . . . . 421 . . . 5991 1 1590 . 1 1 121 121 LEU HB2 H 1 1.754 0.050 . 2 . . . . 421 . . . 5991 1 1591 . 1 1 121 121 LEU HB3 H 1 1.676 0.050 . 2 . . . . 421 . . . 5991 1 1592 . 1 1 121 121 LEU HG H 1 1.598 0.050 . 1 . . . . 421 . . . 5991 1 1593 . 1 1 121 121 LEU HD11 H 1 1.077 0.050 . 1 . . . . 421 . . . 5991 1 1594 . 1 1 121 121 LEU HD12 H 1 1.077 0.050 . 1 . . . . 421 . . . 5991 1 1595 . 1 1 121 121 LEU HD13 H 1 1.077 0.050 . 1 . . . . 421 . . . 5991 1 1596 . 1 1 121 121 LEU HD21 H 1 0.985 0.050 . 1 . . . . 421 . . . 5991 1 1597 . 1 1 121 121 LEU HD22 H 1 0.985 0.050 . 1 . . . . 421 . . . 5991 1 1598 . 1 1 121 121 LEU HD23 H 1 0.985 0.050 . 1 . . . . 421 . . . 5991 1 1599 . 1 1 121 121 LEU C C 13 178.067 0.300 . 1 . . . . 421 . . . 5991 1 1600 . 1 1 121 121 LEU CA C 13 57.461 0.300 . 1 . . . . 421 . . . 5991 1 1601 . 1 1 121 121 LEU CB C 13 43.643 0.300 . 1 . . . . 421 . . . 5991 1 1602 . 1 1 121 121 LEU CG C 13 27.462 0.300 . 1 . . . . 421 . . . 5991 1 1603 . 1 1 121 121 LEU CD1 C 13 23.945 0.300 . 1 . . . . 421 . . . 5991 1 1604 . 1 1 121 121 LEU CD2 C 13 25.758 0.300 . 1 . . . . 421 . . . 5991 1 1605 . 1 1 121 121 LEU N N 15 120.384 0.500 . 1 . . . . 421 . . . 5991 1 1606 . 1 1 122 122 LEU H H 1 8.944 0.050 . 1 . . . . 422 . . . 5991 1 1607 . 1 1 122 122 LEU HA H 1 4.359 0.050 . 1 . . . . 422 . . . 5991 1 1608 . 1 1 122 122 LEU HB2 H 1 2.145 0.050 . 2 . . . . 422 . . . 5991 1 1609 . 1 1 122 122 LEU HB3 H 1 1.676 0.050 . 2 . . . . 422 . . . 5991 1 1610 . 1 1 122 122 LEU HG H 1 1.884 0.050 . 1 . . . . 422 . . . 5991 1 1611 . 1 1 122 122 LEU HD11 H 1 0.744 0.050 . 1 . . . . 422 . . . 5991 1 1612 . 1 1 122 122 LEU HD12 H 1 0.744 0.050 . 1 . . . . 422 . . . 5991 1 1613 . 1 1 122 122 LEU HD13 H 1 0.744 0.050 . 1 . . . . 422 . . . 5991 1 1614 . 1 1 122 122 LEU HD21 H 1 0.653 0.050 . 1 . . . . 422 . . . 5991 1 1615 . 1 1 122 122 LEU HD22 H 1 0.653 0.050 . 1 . . . . 422 . . . 5991 1 1616 . 1 1 122 122 LEU HD23 H 1 0.653 0.050 . 1 . . . . 422 . . . 5991 1 1617 . 1 1 122 122 LEU C C 13 178.039 0.300 . 1 . . . . 422 . . . 5991 1 1618 . 1 1 122 122 LEU CA C 13 55.969 0.300 . 1 . . . . 422 . . . 5991 1 1619 . 1 1 122 122 LEU CB C 13 43.884 0.300 . 1 . . . . 422 . . . 5991 1 1620 . 1 1 122 122 LEU CG C 13 26.621 0.300 . 1 . . . . 422 . . . 5991 1 1621 . 1 1 122 122 LEU CD1 C 13 26.107 0.300 . 1 . . . . 422 . . . 5991 1 1622 . 1 1 122 122 LEU CD2 C 13 22.407 0.300 . 1 . . . . 422 . . . 5991 1 1623 . 1 1 122 122 LEU N N 15 113.123 0.500 . 1 . . . . 422 . . . 5991 1 1624 . 1 1 123 123 GLY H H 1 8.241 0.050 . 1 . . . . 423 . . . 5991 1 1625 . 1 1 123 123 GLY HA2 H 1 4.177 0.050 . 2 . . . . 423 . . . 5991 1 1626 . 1 1 123 123 GLY HA3 H 1 3.838 0.050 . 2 . . . . 423 . . . 5991 1 1627 . 1 1 123 123 GLY C C 13 173.420 0.300 . 1 . . . . 423 . . . 5991 1 1628 . 1 1 123 123 GLY CA C 13 45.125 0.300 . 1 . . . . 423 . . . 5991 1 1629 . 1 1 123 123 GLY N N 15 104.392 0.500 . 1 . . . . 423 . . . 5991 1 1630 . 1 1 124 124 TYR H H 1 6.795 0.050 . 1 . . . . 424 . . . 5991 1 1631 . 1 1 124 124 TYR HA H 1 5.011 0.050 . 1 . . . . 424 . . . 5991 1 1632 . 1 1 124 124 TYR HB2 H 1 2.379 0.050 . 1 . . . . 424 . . . 5991 1 1633 . 1 1 124 124 TYR HB3 H 1 3.187 0.050 . 1 . . . . 424 . . . 5991 1 1634 . 1 1 124 124 TYR HD1 H 1 6.958 0.050 . 1 . . . . 424 . . . 5991 1 1635 . 1 1 124 124 TYR HD2 H 1 6.958 0.050 . 1 . . . . 424 . . . 5991 1 1636 . 1 1 124 124 TYR HE1 H 1 6.724 0.050 . 1 . . . . 424 . . . 5991 1 1637 . 1 1 124 124 TYR HE2 H 1 6.724 0.050 . 1 . . . . 424 . . . 5991 1 1638 . 1 1 124 124 TYR C C 13 175.215 0.300 . 1 . . . . 424 . . . 5991 1 1639 . 1 1 124 124 TYR CA C 13 56.901 0.300 . 1 . . . . 424 . . . 5991 1 1640 . 1 1 124 124 TYR CB C 13 42.511 0.300 . 1 . . . . 424 . . . 5991 1 1641 . 1 1 124 124 TYR CD1 C 13 133.186 0.300 . 1 . . . . 424 . . . 5991 1 1642 . 1 1 124 124 TYR CD2 C 13 133.186 0.300 . 1 . . . . 424 . . . 5991 1 1643 . 1 1 124 124 TYR CE1 C 13 118.153 0.300 . 1 . . . . 424 . . . 5991 1 1644 . 1 1 124 124 TYR CE2 C 13 118.153 0.300 . 1 . . . . 424 . . . 5991 1 1645 . 1 1 124 124 TYR N N 15 115.742 0.500 . 1 . . . . 424 . . . 5991 1 1646 . 1 1 125 125 THR H H 1 8.202 0.050 . 1 . . . . 425 . . . 5991 1 1647 . 1 1 125 125 THR HA H 1 4.633 0.050 . 1 . . . . 425 . . . 5991 1 1648 . 1 1 125 125 THR HB H 1 4.568 0.050 . 1 . . . . 425 . . . 5991 1 1649 . 1 1 125 125 THR HG21 H 1 1.299 0.050 . 1 . . . . 425 . . . 5991 1 1650 . 1 1 125 125 THR HG22 H 1 1.299 0.050 . 1 . . . . 425 . . . 5991 1 1651 . 1 1 125 125 THR HG23 H 1 1.299 0.050 . 1 . . . . 425 . . . 5991 1 1652 . 1 1 125 125 THR CA C 13 59.139 0.300 . 1 . . . . 425 . . . 5991 1 1653 . 1 1 125 125 THR CB C 13 67.913 0.300 . 1 . . . . 425 . . . 5991 1 1654 . 1 1 125 125 THR CG2 C 13 22.177 0.300 . 1 . . . . 425 . . . 5991 1 1655 . 1 1 125 125 THR N N 15 109.378 0.500 . 1 . . . . 425 . . . 5991 1 1656 . 1 1 126 126 PRO HA H 1 2.640 0.050 . 1 . . . . 426 . . . 5991 1 1657 . 1 1 126 126 PRO HB2 H 1 0.868 0.050 . 2 . . . . 426 . . . 5991 1 1658 . 1 1 126 126 PRO HB3 H 1 0.346 0.050 . 2 . . . . 426 . . . 5991 1 1659 . 1 1 126 126 PRO HG2 H 1 1.415 0.050 . 2 . . . . 426 . . . 5991 1 1660 . 1 1 126 126 PRO HG3 H 1 -0.094 0.050 . 2 . . . . 426 . . . 5991 1 1661 . 1 1 126 126 PRO HD2 H 1 3.604 0.050 . 2 . . . . 426 . . . 5991 1 1662 . 1 1 126 126 PRO HD3 H 1 3.343 0.050 . 2 . . . . 426 . . . 5991 1 1663 . 1 1 126 126 PRO C C 13 176.933 0.300 . 1 . . . . 426 . . . 5991 1 1664 . 1 1 126 126 PRO CA C 13 64.920 0.300 . 1 . . . . 426 . . . 5991 1 1665 . 1 1 126 126 PRO CB C 13 29.662 0.300 . 1 . . . . 426 . . . 5991 1 1666 . 1 1 126 126 PRO CG C 13 25.615 0.300 . 1 . . . . 426 . . . 5991 1 1667 . 1 1 126 126 PRO CD C 13 48.950 0.300 . 1 . . . . 426 . . . 5991 1 1668 . 1 1 126 126 PRO N N 15 134.726 0.500 . 1 . . . . 426 . . . 5991 1 1669 . 1 1 127 127 GLU H H 1 8.124 0.050 . 1 . . . . 427 . . . 5991 1 1670 . 1 1 127 127 GLU HA H 1 3.604 0.050 . 1 . . . . 427 . . . 5991 1 1671 . 1 1 127 127 GLU HB2 H 1 1.910 0.050 . 2 . . . . 427 . . . 5991 1 1672 . 1 1 127 127 GLU HB3 H 1 1.828 0.050 . 2 . . . . 427 . . . 5991 1 1673 . 1 1 127 127 GLU HG2 H 1 2.431 0.050 . 2 . . . . 427 . . . 5991 1 1674 . 1 1 127 127 GLU HG3 H 1 2.202 0.300 . 2 . . . . 427 . . . 5991 1 1675 . 1 1 127 127 GLU C C 13 179.931 0.300 . 1 . . . . 427 . . . 5991 1 1676 . 1 1 127 127 GLU CA C 13 60.444 0.300 . 1 . . . . 427 . . . 5991 1 1677 . 1 1 127 127 GLU CB C 13 28.246 0.300 . 1 . . . . 427 . . . 5991 1 1678 . 1 1 127 127 GLU CG C 13 36.828 0.300 . 1 . . . . 427 . . . 5991 1 1679 . 1 1 127 127 GLU N N 15 113.004 0.500 . 1 . . . . 427 . . . 5991 1 1680 . 1 1 128 128 GLU H H 1 7.635 0.050 . 1 . . . . 428 . . . 5991 1 1681 . 1 1 128 128 GLU HA H 1 3.994 0.050 . 1 . . . . 428 . . . 5991 1 1682 . 1 1 128 128 GLU HB2 H 1 2.145 0.050 . 2 . . . . 428 . . . 5991 1 1683 . 1 1 128 128 GLU HB3 H 1 2.356 0.050 . 2 . . . . 428 . . . 5991 1 1684 . 1 1 128 128 GLU HG2 H 1 2.378 0.050 . 2 . . . . 428 . . . 5991 1 1685 . 1 1 128 128 GLU HG3 H 1 2.307 0.300 . 2 . . . . 428 . . . 5991 1 1686 . 1 1 128 128 GLU C C 13 179.368 0.300 . 1 . . . . 428 . . . 5991 1 1687 . 1 1 128 128 GLU CA C 13 58.952 0.300 . 1 . . . . 428 . . . 5991 1 1688 . 1 1 128 128 GLU CB C 13 30.574 0.300 . 1 . . . . 428 . . . 5991 1 1689 . 1 1 128 128 GLU CG C 13 36.876 0.300 . 1 . . . . 428 . . . 5991 1 1690 . 1 1 128 128 GLU N N 15 120.766 0.500 . 1 . . . . 428 . . . 5991 1 1691 . 1 1 129 129 LEU H H 1 7.466 0.050 . 1 . . . . 429 . . . 5991 1 1692 . 1 1 129 129 LEU HA H 1 3.968 0.050 . 1 . . . . 429 . . . 5991 1 1693 . 1 1 129 129 LEU HB2 H 1 1.181 0.050 . 2 . . . . 429 . . . 5991 1 1694 . 1 1 129 129 LEU HB3 H 1 1.285 0.050 . 2 . . . . 429 . . . 5991 1 1695 . 1 1 129 129 LEU HG H 1 1.441 0.050 . 1 . . . . 429 . . . 5991 1 1696 . 1 1 129 129 LEU HD11 H 1 0.640 0.050 . 1 . . . . 429 . . . 5991 1 1697 . 1 1 129 129 LEU HD12 H 1 0.640 0.050 . 1 . . . . 429 . . . 5991 1 1698 . 1 1 129 129 LEU HD13 H 1 0.640 0.050 . 1 . . . . 429 . . . 5991 1 1699 . 1 1 129 129 LEU HD21 H 1 0.536 0.050 . 1 . . . . 429 . . . 5991 1 1700 . 1 1 129 129 LEU HD22 H 1 0.536 0.050 . 1 . . . . 429 . . . 5991 1 1701 . 1 1 129 129 LEU HD23 H 1 0.536 0.050 . 1 . . . . 429 . . . 5991 1 1702 . 1 1 129 129 LEU C C 13 178.898 0.300 . 1 . . . . 429 . . . 5991 1 1703 . 1 1 129 129 LEU CA C 13 57.295 0.300 . 1 . . . . 429 . . . 5991 1 1704 . 1 1 129 129 LEU CB C 13 41.332 0.300 . 1 . . . . 429 . . . 5991 1 1705 . 1 1 129 129 LEU CG C 13 27.028 0.300 . 1 . . . . 429 . . . 5991 1 1706 . 1 1 129 129 LEU CD1 C 13 24.825 0.300 . 1 . . . . 429 . . . 5991 1 1707 . 1 1 129 129 LEU CD2 C 13 24.417 0.300 . 1 . . . . 429 . . . 5991 1 1708 . 1 1 129 129 LEU N N 15 120.177 0.500 . 1 . . . . 429 . . . 5991 1 1709 . 1 1 130 130 HIS H H 1 8.788 0.050 . 1 . . . . 430 . . . 5991 1 1710 . 1 1 130 130 HIS HA H 1 4.125 0.050 . 1 . . . . 430 . . . 5991 1 1711 . 1 1 130 130 HIS HB2 H 1 3.109 0.050 . 2 . . . . 430 . . . 5991 1 1712 . 1 1 130 130 HIS HB3 H 1 3.031 0.050 . 2 . . . . 430 . . . 5991 1 1713 . 1 1 130 130 HIS HD2 H 1 5.624 0.050 . 1 . . . . 430 . . . 5991 1 1714 . 1 1 130 130 HIS HE1 H 1 7.541 0.050 . 1 . . . . 430 . . . 5991 1 1715 . 1 1 130 130 HIS C C 13 178.417 0.300 . 1 . . . . 430 . . . 5991 1 1716 . 1 1 130 130 HIS CA C 13 57.461 0.300 . 1 . . . . 430 . . . 5991 1 1717 . 1 1 130 130 HIS CB C 13 31.023 0.300 . 1 . . . . 430 . . . 5991 1 1718 . 1 1 130 130 HIS CD2 C 13 114.269 0.300 . 1 . . . . 430 . . . 5991 1 1719 . 1 1 130 130 HIS CE1 C 13 137.782 0.300 . 1 . . . . 430 . . . 5991 1 1720 . 1 1 130 130 HIS N N 15 117.489 0.500 . 1 . . . . 430 . . . 5991 1 1721 . 1 1 131 131 ALA H H 1 7.687 0.050 . 1 . . . . 431 . . . 5991 1 1722 . 1 1 131 131 ALA HA H 1 4.359 0.050 . 1 . . . . 431 . . . 5991 1 1723 . 1 1 131 131 ALA HB1 H 1 1.546 0.050 . 1 . . . . 431 . . . 5991 1 1724 . 1 1 131 131 ALA HB2 H 1 1.546 0.050 . 1 . . . . 431 . . . 5991 1 1725 . 1 1 131 131 ALA HB3 H 1 1.546 0.050 . 1 . . . . 431 . . . 5991 1 1726 . 1 1 131 131 ALA C C 13 180.961 0.300 . 1 . . . . 431 . . . 5991 1 1727 . 1 1 131 131 ALA CA C 13 54.663 0.300 . 1 . . . . 431 . . . 5991 1 1728 . 1 1 131 131 ALA CB C 13 18.094 0.300 . 1 . . . . 431 . . . 5991 1 1729 . 1 1 131 131 ALA N N 15 119.878 0.500 . 1 . . . . 431 . . . 5991 1 1730 . 1 1 132 132 MET H H 1 7.739 0.050 . 1 . . . . 432 . . . 5991 1 1731 . 1 1 132 132 MET HA H 1 4.229 0.050 . 1 . . . . 432 . . . 5991 1 1732 . 1 1 132 132 MET HB2 H 1 2.275 0.050 . 2 . . . . 432 . . . 5991 1 1733 . 1 1 132 132 MET HB3 H 1 2.223 0.050 . 2 . . . . 432 . . . 5991 1 1734 . 1 1 132 132 MET HG2 H 1 2.822 0.050 . 2 . . . . 432 . . . 5991 1 1735 . 1 1 132 132 MET HG3 H 1 2.692 0.050 . 2 . . . . 432 . . . 5991 1 1736 . 1 1 132 132 MET HE1 H 1 2.073 0.050 . 1 . . . . 432 . . . 5991 1 1737 . 1 1 132 132 MET HE2 H 1 2.073 0.050 . 1 . . . . 432 . . . 5991 1 1738 . 1 1 132 132 MET HE3 H 1 2.073 0.050 . 1 . . . . 432 . . . 5991 1 1739 . 1 1 132 132 MET C C 13 177.291 0.300 . 1 . . . . 432 . . . 5991 1 1740 . 1 1 132 132 MET CA C 13 58.579 0.300 . 1 . . . . 432 . . . 5991 1 1741 . 1 1 132 132 MET CB C 13 33.717 0.300 . 1 . . . . 432 . . . 5991 1 1742 . 1 1 132 132 MET CG C 13 31.798 0.300 . 1 . . . . 432 . . . 5991 1 1743 . 1 1 132 132 MET CE C 13 17.074 0.300 . 1 . . . . 432 . . . 5991 1 1744 . 1 1 132 132 MET N N 15 117.466 0.500 . 1 . . . . 432 . . . 5991 1 1745 . 1 1 133 133 LEU H H 1 7.609 0.050 . 1 . . . . 433 . . . 5991 1 1746 . 1 1 133 133 LEU HA H 1 4.385 0.050 . 1 . . . . 433 . . . 5991 1 1747 . 1 1 133 133 LEU HB2 H 1 1.884 0.050 . 1 . . . . 433 . . . 5991 1 1748 . 1 1 133 133 LEU HB3 H 1 1.650 0.050 . 1 . . . . 433 . . . 5991 1 1749 . 1 1 133 133 LEU HG H 1 1.910 0.050 . 1 . . . . 433 . . . 5991 1 1750 . 1 1 133 133 LEU HD11 H 1 1.168 0.050 . 1 . . . . 433 . . . 5991 1 1751 . 1 1 133 133 LEU HD12 H 1 1.168 0.050 . 1 . . . . 433 . . . 5991 1 1752 . 1 1 133 133 LEU HD13 H 1 1.168 0.050 . 1 . . . . 433 . . . 5991 1 1753 . 1 1 133 133 LEU HD21 H 1 0.907 0.050 . 1 . . . . 433 . . . 5991 1 1754 . 1 1 133 133 LEU HD22 H 1 0.907 0.050 . 1 . . . . 433 . . . 5991 1 1755 . 1 1 133 133 LEU HD23 H 1 0.907 0.050 . 1 . . . . 433 . . . 5991 1 1756 . 1 1 133 133 LEU C C 13 175.293 0.300 . 1 . . . . 433 . . . 5991 1 1757 . 1 1 133 133 LEU CA C 13 54.104 0.300 . 1 . . . . 433 . . . 5991 1 1758 . 1 1 133 133 LEU CB C 13 42.308 0.300 . 1 . . . . 433 . . . 5991 1 1759 . 1 1 133 133 LEU CG C 13 27.255 0.300 . 1 . . . . 433 . . . 5991 1 1760 . 1 1 133 133 LEU CD1 C 13 26.923 0.300 . 1 . . . . 433 . . . 5991 1 1761 . 1 1 133 133 LEU CD2 C 13 22.640 0.300 . 1 . . . . 433 . . . 5991 1 1762 . 1 1 133 133 LEU N N 15 118.247 0.500 . 1 . . . . 433 . . . 5991 1 1763 . 1 1 134 134 ASP H H 1 7.772 0.050 . 1 . . . . 434 . . . 5991 1 1764 . 1 1 134 134 ASP HA H 1 4.463 0.050 . 1 . . . . 434 . . . 5991 1 1765 . 1 1 134 134 ASP HB2 H 1 2.666 0.050 . 1 . . . . 434 . . . 5991 1 1766 . 1 1 134 134 ASP HB3 H 1 3.005 0.050 . 1 . . . . 434 . . . 5991 1 1767 . 1 1 134 134 ASP C C 13 175.361 0.300 . 1 . . . . 434 . . . 5991 1 1768 . 1 1 134 134 ASP CA C 13 55.223 0.300 . 1 . . . . 434 . . . 5991 1 1769 . 1 1 134 134 ASP CB C 13 39.872 0.300 . 1 . . . . 434 . . . 5991 1 1770 . 1 1 134 134 ASP N N 15 118.178 0.500 . 1 . . . . 434 . . . 5991 1 1771 . 1 1 135 135 VAL H H 1 8.046 0.050 . 1 . . . . 435 . . . 5991 1 1772 . 1 1 135 135 VAL HA H 1 3.916 0.050 . 1 . . . . 435 . . . 5991 1 1773 . 1 1 135 135 VAL HB H 1 1.884 0.050 . 1 . . . . 435 . . . 5991 1 1774 . 1 1 135 135 VAL HG11 H 1 0.614 0.050 . 1 . . . . 435 . . . 5991 1 1775 . 1 1 135 135 VAL HG12 H 1 0.614 0.050 . 1 . . . . 435 . . . 5991 1 1776 . 1 1 135 135 VAL HG13 H 1 0.614 0.050 . 1 . . . . 435 . . . 5991 1 1777 . 1 1 135 135 VAL HG21 H 1 1.174 0.050 . 1 . . . . 435 . . . 5991 1 1778 . 1 1 135 135 VAL HG22 H 1 1.174 0.050 . 1 . . . . 435 . . . 5991 1 1779 . 1 1 135 135 VAL HG23 H 1 1.174 0.050 . 1 . . . . 435 . . . 5991 1 1780 . 1 1 135 135 VAL C C 13 176.012 0.300 . 1 . . . . 435 . . . 5991 1 1781 . 1 1 135 135 VAL CA C 13 63.242 0.300 . 1 . . . . 435 . . . 5991 1 1782 . 1 1 135 135 VAL CB C 13 32.543 0.300 . 1 . . . . 435 . . . 5991 1 1783 . 1 1 135 135 VAL CG1 C 13 20.600 0.300 . 1 . . . . 435 . . . 5991 1 1784 . 1 1 135 135 VAL CG2 C 13 22.960 0.300 . 1 . . . . 435 . . . 5991 1 1785 . 1 1 135 135 VAL N N 15 119.304 0.500 . 1 . . . . 435 . . . 5991 1 1786 . 1 1 136 136 LYS H H 1 8.410 0.050 . 1 . . . . 436 . . . 5991 1 1787 . 1 1 136 136 LYS HA H 1 4.750 0.050 . 1 . . . . 436 . . . 5991 1 1788 . 1 1 136 136 LYS HB2 H 1 1.780 0.050 . 1 . . . . 436 . . . 5991 1 1789 . 1 1 136 136 LYS HB3 H 1 1.858 0.050 . 1 . . . . 436 . . . 5991 1 1790 . 1 1 136 136 LYS HG2 H 1 1.754 0.050 . 2 . . . . 436 . . . 5991 1 1791 . 1 1 136 136 LYS HG3 H 1 1.676 0.050 . 2 . . . . 436 . . . 5991 1 1792 . 1 1 136 136 LYS HD2 H 1 1.520 0.050 . 2 . . . . 436 . . . 5991 1 1793 . 1 1 136 136 LYS HD3 H 1 1.441 0.050 . 2 . . . . 436 . . . 5991 1 1794 . 1 1 136 136 LYS HE2 H 1 3.031 0.050 . 5 . . . . 436 . . . 5991 1 1795 . 1 1 136 136 LYS HE3 H 1 3.031 0.050 . 5 . . . . 436 . . . 5991 1 1796 . 1 1 136 136 LYS CA C 13 53.358 0.300 . 1 . . . . 436 . . . 5991 1 1797 . 1 1 136 136 LYS CB C 13 32.765 0.300 . 1 . . . . 436 . . . 5991 1 1798 . 1 1 136 136 LYS CG C 13 29.045 0.300 . 1 . . . . 436 . . . 5991 1 1799 . 1 1 136 136 LYS CD C 13 24.383 0.300 . 1 . . . . 436 . . . 5991 1 1800 . 1 1 136 136 LYS CE C 13 42.098 0.300 . 5 . . . . 436 . . . 5991 1 1801 . 1 1 136 136 LYS N N 15 128.264 0.500 . 1 . . . . 436 . . . 5991 1 1802 . 1 1 137 137 PRO HA H 1 4.437 0.050 . 1 . . . . 437 . . . 5991 1 1803 . 1 1 137 137 PRO HB2 H 1 2.327 0.050 . 2 . . . . 437 . . . 5991 1 1804 . 1 1 137 137 PRO HB3 H 1 1.962 0.050 . 2 . . . . 437 . . . 5991 1 1805 . 1 1 137 137 PRO HG2 H 1 2.067 0.050 . 2 . . . . 437 . . . 5991 1 1806 . 1 1 137 137 PRO HG3 H 1 1.990 0.050 . 2 . . . . 437 . . . 5991 1 1807 . 1 1 137 137 PRO HD2 H 1 3.838 0.050 . 2 . . . . 437 . . . 5991 1 1808 . 1 1 137 137 PRO HD3 H 1 3.708 0.050 . 2 . . . . 437 . . . 5991 1 1809 . 1 1 137 137 PRO C C 13 176.671 0.300 . 1 . . . . 437 . . . 5991 1 1810 . 1 1 137 137 PRO CA C 13 63.242 0.300 . 1 . . . . 437 . . . 5991 1 1811 . 1 1 137 137 PRO CB C 13 32.052 0.300 . 1 . . . . 437 . . . 5991 1 1812 . 1 1 137 137 PRO CG C 13 27.298 0.300 . 1 . . . . 437 . . . 5991 1 1813 . 1 1 137 137 PRO CD C 13 50.604 0.300 . 1 . . . . 437 . . . 5991 1 1814 . 1 1 137 137 PRO N N 15 136.436 0.500 . 1 . . . . 437 . . . 5991 1 1815 . 1 1 138 138 ASP H H 1 8.391 0.050 . 1 . . . . 438 . . . 5991 1 1816 . 1 1 138 138 ASP HA H 1 4.594 0.050 . 1 . . . . 438 . . . 5991 1 1817 . 1 1 138 138 ASP HB2 H 1 2.718 0.050 . 2 . . . . 438 . . . 5991 1 1818 . 1 1 138 138 ASP HB3 H 1 2.614 0.050 . 2 . . . . 438 . . . 5991 1 1819 . 1 1 138 138 ASP C C 13 175.695 0.300 . 1 . . . . 438 . . . 5991 1 1820 . 1 1 138 138 ASP CA C 13 54.477 0.300 . 1 . . . . 438 . . . 5991 1 1821 . 1 1 138 138 ASP CB C 13 41.096 0.300 . 1 . . . . 438 . . . 5991 1 1822 . 1 1 138 138 ASP N N 15 121.096 0.500 . 1 . . . . 438 . . . 5991 1 1823 . 1 1 139 139 ALA H H 1 8.156 0.050 . 1 . . . . 439 . . . 5991 1 1824 . 1 1 139 139 ALA HA H 1 4.398 0.050 . 1 . . . . 439 . . . 5991 1 1825 . 1 1 139 139 ALA HB1 H 1 1.403 0.050 . 1 . . . . 439 . . . 5991 1 1826 . 1 1 139 139 ALA HB2 H 1 1.403 0.050 . 1 . . . . 439 . . . 5991 1 1827 . 1 1 139 139 ALA HB3 H 1 1.403 0.050 . 1 . . . . 439 . . . 5991 1 1828 . 1 1 139 139 ALA C C 13 176.492 0.300 . 1 . . . . 439 . . . 5991 1 1829 . 1 1 139 139 ALA CA C 13 52.239 0.300 . 1 . . . . 439 . . . 5991 1 1830 . 1 1 139 139 ALA CB C 13 19.872 0.300 . 1 . . . . 439 . . . 5991 1 1831 . 1 1 139 139 ALA N N 15 124.726 0.500 . 1 . . . . 439 . . . 5991 1 1832 . 1 1 140 140 ASP H H 1 7.948 0.050 . 1 . . . . 440 . . . 5991 1 1833 . 1 1 140 140 ASP HA H 1 4.385 0.050 . 1 . . . . 440 . . . 5991 1 1834 . 1 1 140 140 ASP HB2 H 1 2.692 0.050 . 2 . . . . 440 . . . 5991 1 1835 . 1 1 140 140 ASP HB3 H 1 2.588 0.050 . 2 . . . . 440 . . . 5991 1 1836 . 1 1 140 140 ASP CA C 13 55.969 0.300 . 1 . . . . 440 . . . 5991 1 1837 . 1 1 140 140 ASP CB C 13 42.048 0.300 . 1 . . . . 440 . . . 5991 1 1838 . 1 1 140 140 ASP N N 15 125.438 0.500 . 1 . . . . 440 . . . 5991 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1795 5991 1 1 1794 5991 1 1 1413 5991 1 1 1412 5991 1 1 1370 5991 1 1 1369 5991 1 1 1279 5991 1 1 1278 5991 1 1 1142 5991 1 1 1141 5991 1 1 1071 5991 1 1 1070 5991 1 1 1042 5991 1 1 1041 5991 1 1 1012 5991 1 1 982 5991 1 1 981 5991 1 1 818 5991 1 1 817 5991 1 1 622 5991 1 1 621 5991 1 1 228 5991 1 1 227 5991 1 1 9 5991 1 1 8 5991 1 2 1013 5991 1 2 61 5991 1 2 60 5991 1 3 1800 5991 1 3 1419 5991 1 3 1376 5991 1 3 1282 5991 1 3 1148 5991 1 3 1077 5991 1 3 1047 5991 1 3 1019 5991 1 3 988 5991 1 3 824 5991 1 3 628 5991 1 3 233 5991 1 3 67 5991 1 3 15 5991 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_ _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_ _Heteronucl_NOE_list.Entry_ID 5991 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 5991 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLY H . . . 1 1 2 2 GLY N . . -0.4527 0.0283 . . . . . . . . . . 5991 1 2 . 1 1 3 3 THR H . . . 1 1 3 3 THR N . . 0.3924 0.0245 . . . . . . . . . . 5991 1 3 . 1 1 4 4 PHE H . . . 1 1 4 4 PHE N . . 0.5427 0.0339 . . . . . . . . . . 5991 1 4 . 1 1 5 5 LYS H . . . 1 1 5 5 LYS N . . 0.5627 0.0351 . . . . . . . . . . 5991 1 5 . 1 1 6 6 ASP H . . . 1 1 6 6 ASP N . . 0.6505 0.0406 . . . . . . . . . . 5991 1 6 . 1 1 7 7 TYR H . . . 1 1 7 7 TYR N . . 0.5826 0.0364 . . . . . . . . . . 5991 1 7 . 1 1 8 8 VAL H . . . 1 1 8 8 VAL N . . 0.6382 0.0399 . . . . . . . . . . 5991 1 8 . 1 1 9 9 ARG H . . . 1 1 9 9 ARG N . . 0.7792 0.0488 . . . . . . . . . . 5991 1 9 . 1 1 10 10 ASP H . . . 1 1 10 10 ASP N . . 0.6270 0.0391 . . . . . . . . . . 5991 1 10 . 1 1 11 11 ARG H . . . 1 1 11 11 ARG N . . 0.5172 0.0324 . . . . . . . . . . 5991 1 11 . 1 1 12 12 ALA H . . . 1 1 12 12 ALA N . . 0.3708 0.0231 . . . . . . . . . . 5991 1 12 . 1 1 13 13 ASP H . . . 1 1 13 13 ASP N . . 0.4427 0.0276 . . . . . . . . . . 5991 1 13 . 1 1 14 14 LEU H . . . 1 1 14 14 LEU N . . 0.3284 0.0205 . . . . . . . . . . 5991 1 14 . 1 1 15 15 ASN H . . . 1 1 15 15 ASN N . . 0.3335 0.0209 . . . . . . . . . . 5991 1 15 . 1 1 16 16 LYS H . . . 1 1 16 16 LYS N . . 0.2715 0.0170 . . . . . . . . . . 5991 1 16 . 1 1 17 17 ASP H . . . 1 1 17 17 ASP N . . 0.5448 0.0340 . . . . . . . . . . 5991 1 17 . 1 1 20 20 VAL H . . . 1 1 20 20 VAL N . . 0.5412 0.0339 . . . . . . . . . . 5991 1 18 . 1 1 24 24 ALA H . . . 1 1 24 24 ALA N . . 0.8514 0.0533 . . . . . . . . . . 5991 1 19 . 1 1 25 25 ALA H . . . 1 1 25 25 ALA N . . 0.7089 0.0443 . . . . . . . . . . 5991 1 20 . 1 1 26 26 LEU H . . . 1 1 26 26 LEU N . . 0.6475 0.0405 . . . . . . . . . . 5991 1 21 . 1 1 27 27 ALA H . . . 1 1 27 27 ALA N . . 0.8216 0.0514 . . . . . . . . . . 5991 1 22 . 1 1 28 28 GLY H . . . 1 1 28 28 GLY N . . 0.6974 0.0436 . . . . . . . . . . 5991 1 23 . 1 1 29 29 TYR H . . . 1 1 29 29 TYR N . . 0.6827 0.0426 . . . . . . . . . . 5991 1 24 . 1 1 31 31 GLY H . . . 1 1 31 31 GLY N . . 0.7028 0.0439 . . . . . . . . . . 5991 1 25 . 1 1 32 32 SER H . . . 1 1 32 32 SER N . . 0.5397 0.0338 . . . . . . . . . . 5991 1 26 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.5227 0.0326 . . . . . . . . . . 5991 1 27 . 1 1 35 35 ILE H . . . 1 1 35 35 ILE N . . 0.6681 0.0418 . . . . . . . . . . 5991 1 28 . 1 1 36 36 GLN H . . . 1 1 36 36 GLN N . . 0.6473 0.0405 . . . . . . . . . . 5991 1 29 . 1 1 37 37 LEU H . . . 1 1 37 37 LEU N . . 0.7276 0.0455 . . . . . . . . . . 5991 1 30 . 1 1 38 38 TRP H . . . 1 1 38 38 TRP N . . 0.5715 0.0358 . . . . . . . . . . 5991 1 31 . 1 1 39 39 GLN H . . . 1 1 39 39 GLN N . . 0.8798 0.0550 . . . . . . . . . . 5991 1 32 . 1 1 40 40 PHE H . . . 1 1 40 40 PHE N . . 0.5081 0.0318 . . . . . . . . . . 5991 1 33 . 1 1 41 41 LEU H . . . 1 1 41 41 LEU N . . 0.6357 0.0398 . . . . . . . . . . 5991 1 34 . 1 1 42 42 LEU H . . . 1 1 42 42 LEU N . . 0.7882 0.0493 . . . . . . . . . . 5991 1 35 . 1 1 43 43 GLU H . . . 1 1 43 43 GLU N . . 0.8276 0.0518 . . . . . . . . . . 5991 1 36 . 1 1 44 44 LEU H . . . 1 1 44 44 LEU N . . 0.7509 0.0469 . . . . . . . . . . 5991 1 37 . 1 1 45 45 LEU H . . . 1 1 45 45 LEU N . . 0.7457 0.0466 . . . . . . . . . . 5991 1 38 . 1 1 46 46 THR H . . . 1 1 46 46 THR N . . 0.6959 0.0435 . . . . . . . . . . 5991 1 39 . 1 1 47 47 ASP H . . . 1 1 47 47 ASP N . . 0.7330 0.0459 . . . . . . . . . . 5991 1 40 . 1 1 48 48 LYS H . . . 1 1 48 48 LYS N . . 0.6661 0.0416 . . . . . . . . . . 5991 1 41 . 1 1 49 49 SER H . . . 1 1 49 49 SER N . . 0.7625 0.0476 . . . . . . . . . . 5991 1 42 . 1 1 50 50 CYS H . . . 1 1 50 50 CYS N . . 0.7477 0.0468 . . . . . . . . . . 5991 1 43 . 1 1 51 51 GLN H . . . 1 1 51 51 GLN N . . 0.9456 0.0591 . . . . . . . . . . 5991 1 44 . 1 1 52 52 SER H . . . 1 1 52 52 SER N . . 0.7289 0.0455 . . . . . . . . . . 5991 1 45 . 1 1 53 53 PHE H . . . 1 1 53 53 PHE N . . 0.7087 0.0443 . . . . . . . . . . 5991 1 46 . 1 1 54 54 ILE H . . . 1 1 54 54 ILE N . . 0.8335 0.0521 . . . . . . . . . . 5991 1 47 . 1 1 55 55 SER H . . . 1 1 55 55 SER N . . 0.6881 0.0430 . . . . . . . . . . 5991 1 48 . 1 1 56 56 TRP H . . . 1 1 56 56 TRP N . . 0.6872 0.0430 . . . . . . . . . . 5991 1 49 . 1 1 57 57 THR H . . . 1 1 57 57 THR N . . 0.7794 0.0488 . . . . . . . . . . 5991 1 50 . 1 1 58 58 GLY H . . . 1 1 58 58 GLY N . . 0.7246 0.0453 . . . . . . . . . . 5991 1 51 . 1 1 59 59 ASP H . . . 1 1 59 59 ASP N . . 0.7600 0.0475 . . . . . . . . . . 5991 1 52 . 1 1 60 60 GLY H . . . 1 1 60 60 GLY N . . 0.7751 0.0485 . . . . . . . . . . 5991 1 53 . 1 1 61 61 TRP H . . . 1 1 61 61 TRP N . . 0.8087 0.0505 . . . . . . . . . . 5991 1 54 . 1 1 62 62 GLU H . . . 1 1 62 62 GLU N . . 0.7242 0.0453 . . . . . . . . . . 5991 1 55 . 1 1 63 63 PHE H . . . 1 1 63 63 PHE N . . 0.7771 0.0486 . . . . . . . . . . 5991 1 56 . 1 1 64 64 LYS H . . . 1 1 64 64 LYS N . . 0.8244 0.0515 . . . . . . . . . . 5991 1 57 . 1 1 65 65 LEU H . . . 1 1 65 65 LEU N . . 0.8501 0.0531 . . . . . . . . . . 5991 1 58 . 1 1 66 66 SER H . . . 1 1 66 66 SER N . . 0.6987 0.0436 . . . . . . . . . . 5991 1 59 . 1 1 67 67 ASP H . . . 1 1 67 67 ASP N . . 0.8472 0.0530 . . . . . . . . . . 5991 1 60 . 1 1 69 69 ASP H . . . 1 1 69 69 ASP N . . 0.7374 0.0461 . . . . . . . . . . 5991 1 61 . 1 1 70 70 GLU H . . . 1 1 70 70 GLU N . . 0.7263 0.0454 . . . . . . . . . . 5991 1 62 . 1 1 71 71 VAL H . . . 1 1 71 71 VAL N . . 0.7322 0.0458 . . . . . . . . . . 5991 1 63 . 1 1 72 72 ALA H . . . 1 1 72 72 ALA N . . 0.7623 0.0476 . . . . . . . . . . 5991 1 64 . 1 1 73 73 ARG H . . . 1 1 73 73 ARG N . . 0.8267 0.0516 . . . . . . . . . . 5991 1 65 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.7505 0.0469 . . . . . . . . . . 5991 1 66 . 1 1 75 75 TRP H . . . 1 1 75 75 TRP N . . 0.8272 0.0518 . . . . . . . . . . 5991 1 67 . 1 1 76 76 GLY H . . . 1 1 76 76 GLY N . . 0.8336 0.0521 . . . . . . . . . . 5991 1 68 . 1 1 77 77 LYS H . . . 1 1 77 77 LYS N . . 0.6222 0.0389 . . . . . . . . . . 5991 1 69 . 1 1 78 78 ARG H . . . 1 1 78 78 ARG N . . 0.5151 0.0323 . . . . . . . . . . 5991 1 70 . 1 1 79 79 LYS H . . . 1 1 79 79 LYS N . . 0.7298 0.0456 . . . . . . . . . . 5991 1 71 . 1 1 80 80 ASN H . . . 1 1 80 80 ASN N . . 0.7878 0.0493 . . . . . . . . . . 5991 1 72 . 1 1 81 81 LYS H . . . 1 1 81 81 LYS N . . 0.6518 0.0408 . . . . . . . . . . 5991 1 73 . 1 1 83 83 LYS H . . . 1 1 83 83 LYS N . . 0.6444 0.0403 . . . . . . . . . . 5991 1 74 . 1 1 84 84 MET H . . . 1 1 84 84 MET N . . 0.5562 0.0348 . . . . . . . . . . 5991 1 75 . 1 1 85 85 ASN H . . . 1 1 85 85 ASN N . . 0.5736 0.0359 . . . . . . . . . . 5991 1 76 . 1 1 86 86 TYR H . . . 1 1 86 86 TYR N . . 0.9311 0.0583 . . . . . . . . . . 5991 1 77 . 1 1 87 87 GLU H . . . 1 1 87 87 GLU N . . 0.6941 0.0434 . . . . . . . . . . 5991 1 78 . 1 1 88 88 LYS H . . . 1 1 88 88 LYS N . . 0.6241 0.0390 . . . . . . . . . . 5991 1 79 . 1 1 89 89 LEU H . . . 1 1 89 89 LEU N . . 0.7900 0.0494 . . . . . . . . . . 5991 1 80 . 1 1 90 90 SER H . . . 1 1 90 90 SER N . . 0.7089 0.0443 . . . . . . . . . . 5991 1 81 . 1 1 91 91 ARG H . . . 1 1 91 91 ARG N . . 0.7119 0.0445 . . . . . . . . . . 5991 1 82 . 1 1 92 92 GLY H . . . 1 1 92 92 GLY N . . 0.7194 0.0450 . . . . . . . . . . 5991 1 83 . 1 1 93 93 LEU H . . . 1 1 93 93 LEU N . . 0.7145 0.0446 . . . . . . . . . . 5991 1 84 . 1 1 94 94 ARG H . . . 1 1 94 94 ARG N . . 0.7439 0.0465 . . . . . . . . . . 5991 1 85 . 1 1 95 95 TYR H . . . 1 1 95 95 TYR N . . 0.6868 0.0429 . . . . . . . . . . 5991 1 86 . 1 1 96 96 TYR H . . . 1 1 96 96 TYR N . . 0.6682 0.0418 . . . . . . . . . . 5991 1 87 . 1 1 97 97 TYR H . . . 1 1 97 97 TYR N . . 0.7032 0.0440 . . . . . . . . . . 5991 1 88 . 1 1 100 100 ASN H . . . 1 1 100 100 ASN N . . 0.6213 0.0389 . . . . . . . . . . 5991 1 89 . 1 1 101 101 ILE H . . . 1 1 101 101 ILE N . . 0.6756 0.0423 . . . . . . . . . . 5991 1 90 . 1 1 103 103 HIS H . . . 1 1 103 103 HIS N . . 0.6505 0.0406 . . . . . . . . . . 5991 1 91 . 1 1 104 104 LYS H . . . 1 1 104 104 LYS N . . 0.7509 0.0469 . . . . . . . . . . 5991 1 92 . 1 1 105 105 THR H . . . 1 1 105 105 THR N . . 0.6758 0.0423 . . . . . . . . . . 5991 1 93 . 1 1 106 106 ALA H . . . 1 1 106 106 ALA N . . 0.7329 0.0458 . . . . . . . . . . 5991 1 94 . 1 1 107 107 GLY H . . . 1 1 107 107 GLY N . . 0.7258 0.0454 . . . . . . . . . . 5991 1 95 . 1 1 108 108 LYS H . . . 1 1 108 108 LYS N . . 0.6489 0.0405 . . . . . . . . . . 5991 1 96 . 1 1 109 109 ARG H . . . 1 1 109 109 ARG N . . 0.4486 0.0280 . . . . . . . . . . 5991 1 97 . 1 1 110 110 TYR H . . . 1 1 110 110 TYR N . . 0.5839 0.0365 . . . . . . . . . . 5991 1 98 . 1 1 111 111 VAL H . . . 1 1 111 111 VAL N . . 0.8131 0.0509 . . . . . . . . . . 5991 1 99 . 1 1 112 112 TYR H . . . 1 1 112 112 TYR N . . 0.7452 0.0466 . . . . . . . . . . 5991 1 100 . 1 1 113 113 ARG H . . . 1 1 113 113 ARG N . . 0.7688 0.0480 . . . . . . . . . . 5991 1 101 . 1 1 114 114 PHE H . . . 1 1 114 114 PHE N . . 0.7068 0.0441 . . . . . . . . . . 5991 1 102 . 1 1 115 115 VAL H . . . 1 1 115 115 VAL N . . 0.6970 0.0436 . . . . . . . . . . 5991 1 103 . 1 1 116 116 SER H . . . 1 1 116 116 SER N . . 0.6997 0.0438 . . . . . . . . . . 5991 1 104 . 1 1 117 117 ASP H . . . 1 1 117 117 ASP N . . 0.4848 0.0303 . . . . . . . . . . 5991 1 105 . 1 1 118 118 LEU H . . . 1 1 118 118 LEU N . . 0.6765 0.0423 . . . . . . . . . . 5991 1 106 . 1 1 119 119 GLN H . . . 1 1 119 119 GLN N . . 0.6985 0.0436 . . . . . . . . . . 5991 1 107 . 1 1 120 120 SER H . . . 1 1 120 120 SER N . . 0.7395 0.0463 . . . . . . . . . . 5991 1 108 . 1 1 121 121 LEU H . . . 1 1 121 121 LEU N . . 0.8188 0.0511 . . . . . . . . . . 5991 1 109 . 1 1 122 122 LEU H . . . 1 1 122 122 LEU N . . 0.8530 0.0534 . . . . . . . . . . 5991 1 110 . 1 1 123 123 GLY H . . . 1 1 123 123 GLY N . . 0.8203 0.0513 . . . . . . . . . . 5991 1 111 . 1 1 124 124 TYR H . . . 1 1 124 124 TYR N . . 0.6506 0.0406 . . . . . . . . . . 5991 1 112 . 1 1 125 125 THR H . . . 1 1 125 125 THR N . . 0.7851 0.0491 . . . . . . . . . . 5991 1 113 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.6520 0.0408 . . . . . . . . . . 5991 1 114 . 1 1 128 128 GLU H . . . 1 1 128 128 GLU N . . 0.7391 0.0463 . . . . . . . . . . 5991 1 115 . 1 1 129 129 LEU H . . . 1 1 129 129 LEU N . . 0.8613 0.0539 . . . . . . . . . . 5991 1 116 . 1 1 130 130 HIS H . . . 1 1 130 130 HIS N . . 0.7750 0.0485 . . . . . . . . . . 5991 1 117 . 1 1 131 131 ALA H . . . 1 1 131 131 ALA N . . 0.7384 0.0461 . . . . . . . . . . 5991 1 118 . 1 1 132 132 MET H . . . 1 1 132 132 MET N . . 0.6496 0.0406 . . . . . . . . . . 5991 1 119 . 1 1 133 133 LEU H . . . 1 1 133 133 LEU N . . 0.7255 0.0454 . . . . . . . . . . 5991 1 120 . 1 1 134 134 ASP H . . . 1 1 134 134 ASP N . . 0.6456 0.0404 . . . . . . . . . . 5991 1 121 . 1 1 135 135 VAL H . . . 1 1 135 135 VAL N . . 0.6068 0.0379 . . . . . . . . . . 5991 1 122 . 1 1 136 136 LYS H . . . 1 1 136 136 LYS N . . 0.3027 0.0189 . . . . . . . . . . 5991 1 123 . 1 1 138 138 ASP H . . . 1 1 138 138 ASP N . . -0.0391 0.0025 . . . . . . . . . . 5991 1 124 . 1 1 139 139 ALA H . . . 1 1 139 139 ALA N . . -0.5324 0.0333 . . . . . . . . . . 5991 1 125 . 1 1 140 140 ASP H . . . 1 1 140 140 ASP N . . -0.9762 0.0610 . . . . . . . . . . 5991 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_ _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_ _Heteronucl_T1_list.Entry_ID 5991 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $Condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 5991 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 GLY N . . 0.7276 0.0395 . . . . . 5991 1 2 . 1 1 3 3 THR N . . 0.6456 0.0346 . . . . . 5991 1 3 . 1 1 4 4 PHE N . . 0.5749 0.0287 . . . . . 5991 1 4 . 1 1 5 5 LYS N . . 0.5919 0.0305 . . . . . 5991 1 5 . 1 1 6 6 ASP N . . 0.6065 0.0311 . . . . . 5991 1 6 . 1 1 7 7 TYR N . . 0.5954 0.0306 . . . . . 5991 1 7 . 1 1 8 8 VAL N . . 0.6021 0.0313 . . . . . 5991 1 8 . 1 1 9 9 ARG N . . 0.5653 0.0274 . . . . . 5991 1 9 . 1 1 10 10 ASP N . . 0.5655 0.0286 . . . . . 5991 1 10 . 1 1 11 11 ARG N . . 0.5932 0.0305 . . . . . 5991 1 11 . 1 1 12 12 ALA N . . 0.5581 0.0276 . . . . . 5991 1 12 . 1 1 13 13 ASP N . . 0.5650 0.0281 . . . . . 5991 1 13 . 1 1 14 14 LEU N . . 0.5819 0.0296 . . . . . 5991 1 14 . 1 1 15 15 ASN N . . 0.5617 0.0278 . . . . . 5991 1 15 . 1 1 16 16 LYS N . . 0.5697 0.0283 . . . . . 5991 1 16 . 1 1 17 17 ASP N . . 0.5661 0.0282 . . . . . 5991 1 17 . 1 1 20 20 VAL N . . 0.6769 0.0362 . . . . . 5991 1 18 . 1 1 24 24 ALA N . . 0.6064 0.0309 . . . . . 5991 1 19 . 1 1 25 25 ALA N . . 0.6647 0.0362 . . . . . 5991 1 20 . 1 1 26 26 LEU N . . 0.6016 0.0309 . . . . . 5991 1 21 . 1 1 27 27 ALA N . . 0.5538 0.0270 . . . . . 5991 1 22 . 1 1 28 28 GLY N . . 0.5891 0.0302 . . . . . 5991 1 23 . 1 1 29 29 TYR N . . 0.6051 0.0310 . . . . . 5991 1 24 . 1 1 31 31 GLY N . . 0.5832 0.0298 . . . . . 5991 1 25 . 1 1 32 32 SER N . . 0.5648 0.0280 . . . . . 5991 1 26 . 1 1 33 33 GLY N . . 0.5812 0.0293 . . . . . 5991 1 27 . 1 1 35 35 ILE N . . 0.5976 0.0309 . . . . . 5991 1 28 . 1 1 36 36 GLN N . . 0.6098 0.0313 . . . . . 5991 1 29 . 1 1 37 37 LEU N . . 0.5443 0.0264 . . . . . 5991 1 30 . 1 1 38 38 TRP N . . 0.6619 0.0353 . . . . . 5991 1 31 . 1 1 39 39 GLN N . . 0.6127 0.0312 . . . . . 5991 1 32 . 1 1 40 40 PHE N . . 0.6342 0.0333 . . . . . 5991 1 33 . 1 1 41 41 LEU N . . 0.6024 0.0314 . . . . . 5991 1 34 . 1 1 42 42 LEU N . . 0.5981 0.0307 . . . . . 5991 1 35 . 1 1 43 43 GLU N . . 0.6171 0.0320 . . . . . 5991 1 36 . 1 1 44 44 LEU N . . 0.5946 0.0301 . . . . . 5991 1 37 . 1 1 45 45 LEU N . . 0.5821 0.0297 . . . . . 5991 1 38 . 1 1 46 46 THR N . . 0.5924 0.0304 . . . . . 5991 1 39 . 1 1 47 47 ASP N . . 0.5807 0.0290 . . . . . 5991 1 40 . 1 1 48 48 LYS N . . 0.6182 0.0323 . . . . . 5991 1 41 . 1 1 49 49 SER N . . 0.5746 0.0290 . . . . . 5991 1 42 . 1 1 50 50 CYS N . . 0.6132 0.0317 . . . . . 5991 1 43 . 1 1 51 51 GLN N . . 0.6173 0.0322 . . . . . 5991 1 44 . 1 1 52 52 SER N . . 0.5562 0.0273 . . . . . 5991 1 45 . 1 1 53 53 PHE N . . 0.5996 0.0309 . . . . . 5991 1 46 . 1 1 54 54 ILE N . . 0.5848 0.0297 . . . . . 5991 1 47 . 1 1 55 55 SER N . . 0.5943 0.0304 . . . . . 5991 1 48 . 1 1 56 56 TRP N . . 0.6243 0.0325 . . . . . 5991 1 49 . 1 1 57 57 THR N . . 0.5633 0.0282 . . . . . 5991 1 50 . 1 1 58 58 GLY N . . 0.5641 0.0283 . . . . . 5991 1 51 . 1 1 59 59 ASP N . . 0.6655 0.0360 . . . . . 5991 1 52 . 1 1 60 60 GLY N . . 0.6356 0.0334 . . . . . 5991 1 53 . 1 1 61 61 TRP N . . 0.5792 0.0291 . . . . . 5991 1 54 . 1 1 62 62 GLU N . . 0.5922 0.0302 . . . . . 5991 1 55 . 1 1 63 63 PHE N . . 0.5947 0.0302 . . . . . 5991 1 56 . 1 1 64 64 LYS N . . 0.5934 0.0308 . . . . . 5991 1 57 . 1 1 65 65 LEU N . . 0.5984 0.0310 . . . . . 5991 1 58 . 1 1 66 66 SER N . . 0.6815 0.0372 . . . . . 5991 1 59 . 1 1 67 67 ASP N . . 0.6440 0.0340 . . . . . 5991 1 60 . 1 1 69 69 ASP N . . 0.6193 0.0324 . . . . . 5991 1 61 . 1 1 70 70 GLU N . . 0.6014 0.0313 . . . . . 5991 1 62 . 1 1 71 71 VAL N . . 0.5935 0.0305 . . . . . 5991 1 63 . 1 1 72 72 ALA N . . 0.5830 0.0295 . . . . . 5991 1 64 . 1 1 73 73 ARG N . . 0.5683 0.0284 . . . . . 5991 1 65 . 1 1 74 74 ARG N . . 0.6036 0.0309 . . . . . 5991 1 66 . 1 1 75 75 TRP N . . 0.5818 0.0292 . . . . . 5991 1 67 . 1 1 76 76 GLY N . . 0.5854 0.0296 . . . . . 5991 1 68 . 1 1 77 77 LYS N . . 0.6334 0.0331 . . . . . 5991 1 69 . 1 1 78 78 ARG N . . 0.5911 0.0272 . . . . . 5991 1 70 . 1 1 79 79 LYS N . . 0.6488 0.0357 . . . . . 5991 1 71 . 1 1 80 80 ASN N . . 0.6038 0.0312 . . . . . 5991 1 72 . 1 1 81 81 LYS N . . 0.6191 0.0320 . . . . . 5991 1 73 . 1 1 83 83 LYS N . . 0.5693 0.0289 . . . . . 5991 1 74 . 1 1 84 84 MET N . . 0.6532 0.0352 . . . . . 5991 1 75 . 1 1 85 85 ASN N . . 0.6460 0.0348 . . . . . 5991 1 76 . 1 1 86 86 TYR N . . 0.5669 0.0285 . . . . . 5991 1 77 . 1 1 87 87 GLU N . . 0.5813 0.0296 . . . . . 5991 1 78 . 1 1 88 88 LYS N . . 0.5868 0.0300 . . . . . 5991 1 79 . 1 1 89 89 LEU N . . 0.5882 0.0302 . . . . . 5991 1 80 . 1 1 90 90 SER N . . 0.5821 0.0296 . . . . . 5991 1 81 . 1 1 91 91 ARG N . . 0.5737 0.0289 . . . . . 5991 1 82 . 1 1 92 92 GLY N . . 0.5897 0.0301 . . . . . 5991 1 83 . 1 1 93 93 LEU N . . 0.6034 0.0315 . . . . . 5991 1 84 . 1 1 94 94 ARG N . . 0.5943 0.0304 . . . . . 5991 1 85 . 1 1 95 95 TYR N . . 0.5736 0.0292 . . . . . 5991 1 86 . 1 1 96 96 TYR N . . 0.5956 0.0313 . . . . . 5991 1 87 . 1 1 97 97 TYR N . . 0.6561 0.0349 . . . . . 5991 1 88 . 1 1 100 100 ASN N . . 0.6194 0.0330 . . . . . 5991 1 89 . 1 1 101 101 ILE N . . 0.6475 0.0344 . . . . . 5991 1 90 . 1 1 103 103 HIS N . . 0.6060 0.0308 . . . . . 5991 1 91 . 1 1 104 104 LYS N . . 0.5926 0.0295 . . . . . 5991 1 92 . 1 1 105 105 THR N . . 0.5641 0.0281 . . . . . 5991 1 93 . 1 1 106 106 ALA N . . 0.5835 0.0296 . . . . . 5991 1 94 . 1 1 107 107 GLY N . . 0.7209 0.0388 . . . . . 5991 1 95 . 1 1 108 108 LYS N . . 0.6091 0.0315 . . . . . 5991 1 96 . 1 1 109 109 ARG N . . 0.6268 0.0323 . . . . . 5991 1 97 . 1 1 110 110 TYR N . . 0.5746 0.0289 . . . . . 5991 1 98 . 1 1 111 111 VAL N . . 0.5498 0.0257 . . . . . 5991 1 99 . 1 1 112 112 TYR N . . 0.5901 0.0299 . . . . . 5991 1 100 . 1 1 113 113 ARG N . . 0.6306 0.0328 . . . . . 5991 1 101 . 1 1 114 114 PHE N . . 0.5949 0.0308 . . . . . 5991 1 102 . 1 1 115 115 VAL N . . 0.6284 0.0331 . . . . . 5991 1 103 . 1 1 116 116 SER N . . 0.5870 0.0301 . . . . . 5991 1 104 . 1 1 117 117 ASP N . . 0.5836 0.0299 . . . . . 5991 1 105 . 1 1 118 118 LEU N . . 0.6164 0.0324 . . . . . 5991 1 106 . 1 1 119 119 GLN N . . 0.5974 0.0310 . . . . . 5991 1 107 . 1 1 120 120 SER N . . 0.6044 0.0308 . . . . . 5991 1 108 . 1 1 121 121 LEU N . . 0.6512 0.0349 . . . . . 5991 1 109 . 1 1 122 122 LEU N . . 0.5690 0.0287 . . . . . 5991 1 110 . 1 1 123 123 GLY N . . 0.5844 0.0295 . . . . . 5991 1 111 . 1 1 124 124 TYR N . . 0.7596 0.0433 . . . . . 5991 1 112 . 1 1 125 125 THR N . . 0.6359 0.0339 . . . . . 5991 1 113 . 1 1 127 127 GLU N . . 0.5911 0.0302 . . . . . 5991 1 114 . 1 1 128 128 GLU N . . 0.5832 0.0296 . . . . . 5991 1 115 . 1 1 129 129 LEU N . . 0.5775 0.0290 . . . . . 5991 1 116 . 1 1 130 130 HIS N . . 0.5740 0.0291 . . . . . 5991 1 117 . 1 1 131 131 ALA N . . 0.6054 0.0313 . . . . . 5991 1 118 . 1 1 132 132 MET N . . 0.6177 0.0324 . . . . . 5991 1 119 . 1 1 133 133 LEU N . . 0.6025 0.0308 . . . . . 5991 1 120 . 1 1 134 134 ASP N . . 0.6114 0.0318 . . . . . 5991 1 121 . 1 1 135 135 VAL N . . 0.6110 0.0319 . . . . . 5991 1 122 . 1 1 136 136 LYS N . . 0.6232 0.0327 . . . . . 5991 1 123 . 1 1 138 138 ASP N . . 0.6260 0.0328 . . . . . 5991 1 124 . 1 1 139 139 ALA N . . 0.7313 0.0407 . . . . . 5991 1 125 . 1 1 140 140 ASP N . . 1.1141 0.0774 . . . . . 5991 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_ _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_ _Heteronucl_T2_list.Entry_ID 5991 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $Condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 5991 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLY N . . 0.1972 0.0223 . . . . . . . 5991 1 2 . 1 1 3 3 THR N . . 0.0901 0.0052 . . . . . . . 5991 1 3 . 1 1 4 4 PHE N . . 0.0865 0.0049 . . . . . . . 5991 1 4 . 1 1 5 5 LYS N . . 0.0537 0.0020 . . . . . . . 5991 1 5 . 1 1 6 6 ASP N . . 0.0628 0.0026 . . . . . . . 5991 1 6 . 1 1 7 7 TYR N . . 0.0701 0.0033 . . . . . . . 5991 1 7 . 1 1 8 8 VAL N . . 0.0508 0.0017 . . . . . . . 5991 1 8 . 1 1 9 9 ARG N . . 0.0807 0.0044 . . . . . . . 5991 1 9 . 1 1 10 10 ASP N . . 0.0612 0.0026 . . . . . . . 5991 1 10 . 1 1 11 11 ARG N . . 0.1049 0.0070 . . . . . . . 5991 1 11 . 1 1 12 12 ALA N . . 0.1277 0.0099 . . . . . . . 5991 1 12 . 1 1 13 13 ASP N . . 0.1267 0.0097 . . . . . . . 5991 1 13 . 1 1 14 14 LEU N . . 0.1372 0.0114 . . . . . . . 5991 1 14 . 1 1 15 15 ASN N . . 0.1340 0.0109 . . . . . . . 5991 1 15 . 1 1 16 16 LYS N . . 0.1260 0.0096 . . . . . . . 5991 1 16 . 1 1 17 17 ASP N . . 0.1136 0.0081 . . . . . . . 5991 1 17 . 1 1 20 20 VAL N . . 0.1140 0.0080 . . . . . . . 5991 1 18 . 1 1 24 24 ALA N . . 0.0695 0.0031 . . . . . . . 5991 1 19 . 1 1 25 25 ALA N . . 0.0950 0.0061 . . . . . . . 5991 1 20 . 1 1 26 26 LEU N . . 0.0847 0.0048 . . . . . . . 5991 1 21 . 1 1 27 27 ALA N . . 0.0795 0.0040 . . . . . . . 5991 1 22 . 1 1 28 28 GLY N . . 0.0881 0.0051 . . . . . . . 5991 1 23 . 1 1 29 29 TYR N . . 0.0883 0.0051 . . . . . . . 5991 1 24 . 1 1 31 31 GLY N . . 0.0833 0.0046 . . . . . . . 5991 1 25 . 1 1 32 32 SER N . . 0.0913 0.0054 . . . . . . . 5991 1 26 . 1 1 33 33 GLY N . . 0.1027 0.0067 . . . . . . . 5991 1 27 . 1 1 35 35 ILE N . . 0.0547 0.0021 . . . . . . . 5991 1 28 . 1 1 36 36 GLN N . . 0.0892 0.0052 . . . . . . . 5991 1 29 . 1 1 37 37 LEU N . . 0.0736 0.0037 . . . . . . . 5991 1 30 . 1 1 38 38 TRP N . . 0.0656 0.0029 . . . . . . . 5991 1 31 . 1 1 39 39 GLN N . . 0.0735 0.0037 . . . . . . . 5991 1 32 . 1 1 40 40 PHE N . . 0.0926 0.0055 . . . . . . . 5991 1 33 . 1 1 41 41 LEU N . . 0.0901 0.0053 . . . . . . . 5991 1 34 . 1 1 42 42 LEU N . . 0.0855 0.0048 . . . . . . . 5991 1 35 . 1 1 43 43 GLU N . . 0.0813 0.0044 . . . . . . . 5991 1 36 . 1 1 44 44 LEU N . . 0.0814 0.0044 . . . . . . . 5991 1 37 . 1 1 45 45 LEU N . . 0.0752 0.0039 . . . . . . . 5991 1 38 . 1 1 46 46 THR N . . 0.0754 0.0038 . . . . . . . 5991 1 39 . 1 1 47 47 ASP N . . 0.0657 0.0030 . . . . . . . 5991 1 40 . 1 1 48 48 LYS N . . 0.0850 0.0048 . . . . . . . 5991 1 41 . 1 1 49 49 SER N . . 0.0843 0.0046 . . . . . . . 5991 1 42 . 1 1 50 50 CYS N . . 0.0914 0.0055 . . . . . . . 5991 1 43 . 1 1 51 51 GLN N . . 0.0729 0.0038 . . . . . . . 5991 1 44 . 1 1 52 52 SER N . . 0.0824 0.0045 . . . . . . . 5991 1 45 . 1 1 53 53 PHE N . . 0.0812 0.0044 . . . . . . . 5991 1 46 . 1 1 54 54 ILE N . . 0.0775 0.0040 . . . . . . . 5991 1 47 . 1 1 55 55 SER N . . 0.0804 0.0043 . . . . . . . 5991 1 48 . 1 1 56 56 TRP N . . 0.0837 0.0047 . . . . . . . 5991 1 49 . 1 1 57 57 THR N . . 0.0842 0.0046 . . . . . . . 5991 1 50 . 1 1 58 58 GLY N . . 0.0838 0.0047 . . . . . . . 5991 1 51 . 1 1 59 59 ASP N . . 0.0865 0.0050 . . . . . . . 5991 1 52 . 1 1 60 60 GLY N . . 0.0915 0.0055 . . . . . . . 5991 1 53 . 1 1 61 61 TRP N . . 0.0871 0.0050 . . . . . . . 5991 1 54 . 1 1 62 62 GLU N . . 0.0853 0.0049 . . . . . . . 5991 1 55 . 1 1 63 63 PHE N . . 0.0823 0.0046 . . . . . . . 5991 1 56 . 1 1 64 64 LYS N . . 0.0779 0.0042 . . . . . . . 5991 1 57 . 1 1 65 65 LEU N . . 0.0798 0.0043 . . . . . . . 5991 1 58 . 1 1 66 66 SER N . . 0.0872 0.0050 . . . . . . . 5991 1 59 . 1 1 67 67 ASP N . . 0.0861 0.0049 . . . . . . . 5991 1 60 . 1 1 69 69 ASP N . . 0.0819 0.0045 . . . . . . . 5991 1 61 . 1 1 70 70 GLU N . . 0.0728 0.0037 . . . . . . . 5991 1 62 . 1 1 71 71 VAL N . . 0.0860 0.0048 . . . . . . . 5991 1 63 . 1 1 72 72 ALA N . . 0.0831 0.0046 . . . . . . . 5991 1 64 . 1 1 73 73 ARG N . . 0.0730 0.0038 . . . . . . . 5991 1 65 . 1 1 74 74 ARG N . . 0.0868 0.0050 . . . . . . . 5991 1 66 . 1 1 75 75 TRP N . . 0.0761 0.0039 . . . . . . . 5991 1 67 . 1 1 76 76 GLY N . . 0.0828 0.0046 . . . . . . . 5991 1 68 . 1 1 77 77 LYS N . . 0.0757 0.0038 . . . . . . . 5991 1 69 . 1 1 78 78 ARG N . . 0.0713 0.0037 . . . . . . . 5991 1 70 . 1 1 79 79 LYS N . . 0.0464 0.0016 . . . . . . . 5991 1 71 . 1 1 80 80 ASN N . . 0.0914 0.0054 . . . . . . . 5991 1 72 . 1 1 81 81 LYS N . . 0.0926 0.0055 . . . . . . . 5991 1 73 . 1 1 83 83 LYS N . . 0.0628 0.0027 . . . . . . . 5991 1 74 . 1 1 84 84 MET N . . 0.0942 0.0058 . . . . . . . 5991 1 75 . 1 1 85 85 ASN N . . 0.0804 0.0043 . . . . . . . 5991 1 76 . 1 1 86 86 TYR N . . 0.0757 0.0039 . . . . . . . 5991 1 77 . 1 1 87 87 GLU N . . 0.0849 0.0048 . . . . . . . 5991 1 78 . 1 1 88 88 LYS N . . 0.0839 0.0047 . . . . . . . 5991 1 79 . 1 1 89 89 LEU N . . 0.0659 0.0030 . . . . . . . 5991 1 80 . 1 1 90 90 SER N . . 0.0803 0.0044 . . . . . . . 5991 1 81 . 1 1 91 91 ARG N . . 0.0760 0.0039 . . . . . . . 5991 1 82 . 1 1 92 92 GLY N . . 0.0869 0.0049 . . . . . . . 5991 1 83 . 1 1 93 93 LEU N . . 0.0889 0.0052 . . . . . . . 5991 1 84 . 1 1 94 94 ARG N . . 0.0691 0.0033 . . . . . . . 5991 1 85 . 1 1 95 95 TYR N . . 0.0656 0.0031 . . . . . . . 5991 1 86 . 1 1 96 96 TYR N . . 0.0577 0.0024 . . . . . . . 5991 1 87 . 1 1 97 97 TYR N . . 0.1256 0.0094 . . . . . . . 5991 1 88 . 1 1 100 100 ASN N . . 0.0972 0.0060 . . . . . . . 5991 1 89 . 1 1 101 101 ILE N . . 0.0500 0.0018 . . . . . . . 5991 1 90 . 1 1 103 103 HIS N . . 0.0720 0.0035 . . . . . . . 5991 1 91 . 1 1 104 104 LYS N . . 0.0741 0.0037 . . . . . . . 5991 1 92 . 1 1 105 105 THR N . . 0.0775 0.0040 . . . . . . . 5991 1 93 . 1 1 106 106 ALA N . . 0.0761 0.0040 . . . . . . . 5991 1 94 . 1 1 107 107 GLY N . . 0.0895 0.0050 . . . . . . . 5991 1 95 . 1 1 108 108 LYS N . . 0.0944 0.0058 . . . . . . . 5991 1 96 . 1 1 109 109 ARG N . . 0.0669 0.0031 . . . . . . . 5991 1 97 . 1 1 110 110 TYR N . . 0.0788 0.0041 . . . . . . . 5991 1 98 . 1 1 111 111 VAL N . . 0.0852 0.0050 . . . . . . . 5991 1 99 . 1 1 112 112 TYR N . . 0.0805 0.0044 . . . . . . . 5991 1 100 . 1 1 113 113 ARG N . . 0.0832 0.0046 . . . . . . . 5991 1 101 . 1 1 114 114 PHE N . . 0.0834 0.0047 . . . . . . . 5991 1 102 . 1 1 115 115 VAL N . . 0.0816 0.0044 . . . . . . . 5991 1 103 . 1 1 116 116 SER N . . 0.0878 0.0050 . . . . . . . 5991 1 104 . 1 1 117 117 ASP N . . 0.1128 0.0084 . . . . . . . 5991 1 105 . 1 1 118 118 LEU N . . 0.0825 0.0045 . . . . . . . 5991 1 106 . 1 1 119 119 GLN N . . 0.0783 0.0041 . . . . . . . 5991 1 107 . 1 1 120 120 SER N . . 0.0823 0.0045 . . . . . . . 5991 1 108 . 1 1 121 121 LEU N . . 0.0837 0.0046 . . . . . . . 5991 1 109 . 1 1 122 122 LEU N . . 0.0806 0.0043 . . . . . . . 5991 1 110 . 1 1 123 123 GLY N . . 0.0804 0.0042 . . . . . . . 5991 1 111 . 1 1 124 124 TYR N . . 0.1051 0.0069 . . . . . . . 5991 1 112 . 1 1 125 125 THR N . . 0.0912 0.0053 . . . . . . . 5991 1 113 . 1 1 127 127 GLU N . . 0.0907 0.0054 . . . . . . . 5991 1 114 . 1 1 128 128 GLU N . . 0.0738 0.0036 . . . . . . . 5991 1 115 . 1 1 129 129 LEU N . . 0.0741 0.0037 . . . . . . . 5991 1 116 . 1 1 130 130 HIS N . . 0.0811 0.0044 . . . . . . . 5991 1 117 . 1 1 131 131 ALA N . . 0.0840 0.0047 . . . . . . . 5991 1 118 . 1 1 132 132 MET N . . 0.0858 0.0045 . . . . . . . 5991 1 119 . 1 1 133 133 LEU N . . 0.0880 0.0050 . . . . . . . 5991 1 120 . 1 1 134 134 ASP N . . 0.0903 0.0053 . . . . . . . 5991 1 121 . 1 1 135 135 VAL N . . 0.1015 0.0066 . . . . . . . 5991 1 122 . 1 1 136 136 LYS N . . 0.1411 0.0120 . . . . . . . 5991 1 123 . 1 1 138 138 ASP N . . 0.1956 0.0221 . . . . . . . 5991 1 124 . 1 1 139 139 ALA N . . 0.3340 0.0618 . . . . . . . 5991 1 125 . 1 1 140 140 ASP N . . 0.7075 0.2674 . . . . . . . 5991 1 stop_ save_ ###################### # Order parameters # ###################### save_S2_parameters_label _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_parameters_label _Order_parameter_list.Entry_ID 5991 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $Condition_1 _Order_parameter_list.Tau_e_val_units ns _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . 1 $sample_1 . 5991 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 2 2 GLY N . . 0.402 0.062 0.704 0.086 . . . . . . . . 0.785 0.042 . . . . . . . . . . . 5991 1 2 . 1 1 3 3 THR N . . 0.798 0.023 0.155 0.110 . . . . . . . . . . . . . . . . . . . . . 5991 1 3 . 1 1 4 4 PHE N . . 0.886 0.027 0.221 0.287 . . . . . . . . . . . . . . . . . . . . . 5991 1 4 . 1 1 5 5 LYS N . . 0.878 0.037 0.163 0.230 . . . . . . . . . . . . . . . . . . . . . 5991 1 5 . 1 1 6 6 ASP N . . 0.876 0.044 0.088 0.230 . . . . . . . . . . . . . . . . . . . . . 5991 1 6 . 1 1 7 7 TYR N . . 0.873 0.039 0.137 0.243 . . . . . . . . . . . . . . . . . . . . . 5991 1 7 . 1 1 8 8 VAL N . . 0.877 0.038 0.097 0.174 . . . . . . . . . . . . . . . . . . . . . 5991 1 8 . 1 1 9 9 ARG N . . 0.960 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 9 . 1 1 10 10 ASP N . . 0.930 0.044 0.326 0.554 . . . . . . . . . . . . . . . . . . . . . 5991 1 10 . 1 1 11 11 ARG N . . 0.798 0.031 0.099 0.094 . . . . . . . . . . . . . . . . . . . . . 5991 1 11 . 1 1 12 12 ALA N . . 0.589 0.050 1.388 0.140 . . . . . . . . 0.880 0.042 . . . . . . . . . . . 5991 1 12 . 1 1 13 13 ASP N . . 0.608 0.059 1.556 0.181 . . . . . . . . 0.856 0.036 . . . . . . . . . . . 5991 1 13 . 1 1 14 14 LEU N . . 0.560 0.053 1.351 0.128 . . . . . . . . 0.845 0.037 . . . . . . . . . . . 5991 1 14 . 1 1 15 15 ASN N . . 0.551 0.060 1.386 0.151 . . . . . . . . 0.870 0.039 . . . . . . . . . . . 5991 1 15 . 1 1 16 16 LYS N . . 0.591 0.059 1.156 0.145 . . . . . . . . 0.899 0.038 . . . . . . . . . . . 5991 1 16 . 1 1 17 17 ASP N . . 0.697 0.056 1.696 0.326 . . . . . . . . 0.867 0.036 . . . . . . . . . . . 5991 1 17 . 1 1 20 20 VAL N . . 0.719 0.032 0.055 0.013 . . . . . . . . . . . . . . . . . . . . . 5991 1 18 . 1 1 24 24 ALA N . . 0.908 0.046 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 19 . 1 1 25 25 ALA N . . 0.805 0.033 0.030 0.017 . . . . . . . . . . . . . . . . . . . . . 5991 1 20 . 1 1 26 26 LEU N . . 0.888 0.026 0.102 0.265 . . . . . . . . . . . . . . . . . . . . . 5991 1 21 . 1 1 27 27 ALA N . . 0.975 0.026 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 22 . 1 1 28 28 GLY N . . 0.888 0.034 0.068 0.346 . . . . . . . . . . . . . . . . . . . . . 5991 1 23 . 1 1 29 29 TYR N . . 0.872 0.036 0.066 0.246 . . . . . . . . . . . . . . . . . . . . . 5991 1 24 . 1 1 31 31 GLY N . . 0.929 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 25 . 1 1 32 32 SER N . . 0.826 0.045 1.010 0.376 . . . . . . . . . . . . . . . . . . . . . 5991 1 26 . 1 1 33 33 GLY N . . 0.757 0.050 1.342 0.248 . . . . . . . . 0.900 0.035 . . . . . . . . . . . 5991 1 27 . 1 1 36 36 GLN N . . 0.861 0.026 0.079 0.111 . . . . . . . . . . . . . . . . . . . . . 5991 1 28 . 1 1 37 37 LEU N . . 1.000 0.022 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 29 . 1 1 38 38 TRP N . . 0.792 0.045 0.071 0.029 . . . . . . . . . . . . . . . . . . . . . 5991 1 30 . 1 1 39 39 GLN N . . 0.961 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 31 . 1 1 40 40 PHE N . . 0.812 0.030 0.110 0.041 . . . . . . . . . . . . . . . . . . . . . 5991 1 32 . 1 1 41 41 LEU N . . 0.861 0.030 0.086 0.169 . . . . . . . . . . . . . . . . . . . . . 5991 1 33 . 1 1 42 42 LEU N . . 0.906 0.033 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 34 . 1 1 43 43 GLU N . . 0.913 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 35 . 1 1 44 44 LEU N . . 0.930 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 36 . 1 1 45 45 LEU N . . 0.977 0.026 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 37 . 1 1 46 46 THR N . . 0.952 0.032 0.195 0.732 . . . . . . . . . . . . . . . . . . . . . 5991 1 38 . 1 1 47 47 ASP N . . 0.961 0.041 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 39 . 1 1 48 48 LYS N . . 0.876 0.032 0.076 0.192 . . . . . . . . . . . . . . . . . . . . . 5991 1 40 . 1 1 49 49 SER N . . 0.931 0.035 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 41 . 1 1 50 50 CYS N . . 0.868 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 42 . 1 1 51 51 GLN N . . 0.958 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 43 . 1 1 52 52 SER N . . 0.958 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 44 . 1 1 53 53 PHE N . . 0.927 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 45 . 1 1 54 54 ILE N . . 0.961 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 46 . 1 1 55 55 SER N . . 0.921 0.031 0.109 0.455 . . . . . . . . . . . . . . . . . . . . . 5991 1 47 . 1 1 56 56 TRP N . . 0.880 0.036 0.065 0.133 . . . . . . . . . . . . . . . . . . . . . 5991 1 48 . 1 1 57 57 THR N . . 0.941 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 49 . 1 1 58 58 GLY N . . 0.943 0.035 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 50 . 1 1 59 59 ASP N . . 0.850 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 51 . 1 1 60 60 GLY N . . 0.851 0.033 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 52 . 1 1 61 61 TRP N . . 0.914 0.035 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 53 . 1 1 62 62 GLU N . . 0.912 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 54 . 1 1 63 63 PHE N . . 0.926 0.037 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 55 . 1 1 64 64 LYS N . . 0.951 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 56 . 1 1 65 65 LEU N . . 0.936 0.034 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 57 . 1 1 66 66 SER N . . 0.824 0.036 0.035 0.017 . . . . . . . . . . . . . . . . . . . . . 5991 1 58 . 1 1 67 67 ASP N . . 0.868 0.038 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 59 . 1 1 69 69 ASP N . . 0.908 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 60 . 1 1 70 70 GLU N . . 0.974 0.027 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 61 . 1 1 71 71 VAL N . . 0.907 0.037 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 62 . 1 1 72 72 ALA N . . 0.931 0.033 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 63 . 1 1 73 73 ARG N . . 1.000 0.021 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 64 . 1 1 74 74 ARG N . . 0.896 0.033 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 65 . 1 1 75 75 TRP N . . 0.971 0.030 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 66 . 1 1 76 76 GLY N . . 0.931 0.035 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 67 . 1 1 77 77 LYS N . . 0.841 0.046 0.077 0.136 . . . . . . . . . . . . . . . . . . . . . 5991 1 68 . 1 1 78 78 ARG N . . 0.871 0.028 0.202 0.202 . . . . . . . . . . . . . . . . . . . . . 5991 1 69 . 1 1 79 79 LYS N . . 0.847 0.045 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 70 . 1 1 80 80 ASN N . . 0.873 0.038 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 71 . 1 1 81 81 LYS N . . 0.840 0.029 0.064 0.024 . . . . . . . . . . . . . . . . . . . . . 5991 1 72 . 1 1 83 83 LYS N . . 0.926 0.032 0.202 0.493 . . . . . . . . . . . . . . . . . . . . . 5991 1 73 . 1 1 84 84 MET N . . 0.798 0.034 0.080 0.023 . . . . . . . . . . . . . . . . . . . . . 5991 1 74 . 1 1 85 85 ASN N . . 0.866 0.034 0.126 0.259 . . . . . . . . . . . . . . . . . . . . . 5991 1 75 . 1 1 86 86 TYR N . . 0.987 0.023 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 76 . 1 1 87 87 GLU N . . 0.909 0.032 0.091 0.467 . . . . . . . . . . . . . . . . . . . . . 5991 1 77 . 1 1 88 88 LYS N . . 0.900 0.030 0.145 0.409 . . . . . . . . . . . . . . . . . . . . . 5991 1 78 . 1 1 89 89 LEU N . . 0.940 0.039 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 79 . 1 1 90 90 SER N . . 0.947 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 80 . 1 1 91 91 ARG N . . 0.979 0.029 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 81 . 1 1 92 92 GLY N . . 0.906 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 82 . 1 1 93 93 LEU N . . 0.885 0.038 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 83 . 1 1 94 94 ARG N . . 1.000 0.021 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 84 . 1 1 95 95 TYR N . . 0.940 0.038 0.169 0.634 . . . . . . . . . . . . . . . . . . . . . 5991 1 85 . 1 1 96 96 TYR N . . 0.902 0.040 0.102 0.330 . . . . . . . . . . . . . . . . . . . . . 5991 1 86 . 1 1 97 97 TYR N . . 0.725 0.081 3.241 2.160 . . . . . . . . 0.717 0.032 . . . . . . . . . . . 5991 1 87 . 1 1 100 100 ASN N . . 0.841 0.048 1.387 0.515 . . . . . . . . 0.869 0.055 . . . . . . . . . . . 5991 1 88 . 1 1 101 101 ILE N . . 0.854 0.042 0.057 0.055 . . . . . . . . . . . . . . . . . . . . . 5991 1 89 . 1 1 103 103 HIS N . . 0.943 0.027 0.269 0.466 . . . . . . . . . . . . . . . . . . . . . 5991 1 90 . 1 1 104 104 LYS N . . 0.975 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 91 . 1 1 105 105 THR N . . 0.951 0.032 0.325 0.538 . . . . . . . . . . . . . . . . . . . . . 5991 1 92 . 1 1 106 106 ALA N . . 0.969 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 93 . 1 1 107 107 GLY N . . 0.804 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 94 . 1 1 108 108 LYS N . . 0.840 0.033 0.066 0.137 . . . . . . . . . . . . . . . . . . . . . 5991 1 95 . 1 1 109 109 ARG N . . 0.828 0.033 0.162 0.183 . . . . . . . . . . . . . . . . . . . . . 5991 1 96 . 1 1 110 110 TYR N . . 0.915 0.032 0.321 0.378 . . . . . . . . . . . . . . . . . . . . . 5991 1 97 . 1 1 111 111 VAL N . . 0.953 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 98 . 1 1 112 112 TYR N . . 0.939 0.034 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 99 . 1 1 113 113 ARG N . . 0.893 0.034 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 100 . 1 1 114 114 PHE N . . 0.920 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 101 . 1 1 115 115 VAL N . . 0.903 0.038 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 102 . 1 1 116 116 SER N . . 0.891 0.030 0.069 0.307 . . . . . . . . . . . . . . . . . . . . . 5991 1 103 . 1 1 117 117 ASP N . . 0.712 0.062 1.365 0.270 . . . . . . . . 0.872 0.039 . . . . . . . . . . . 5991 1 104 . 1 1 118 118 LEU N . . 0.891 0.035 0.080 0.204 . . . . . . . . . . . . . . . . . . . . . 5991 1 105 . 1 1 119 119 GLN N . . 0.945 0.033 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 106 . 1 1 120 120 SER N . . 0.918 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 107 . 1 1 121 121 LEU N . . 0.874 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 108 . 1 1 122 122 LEU N . . 0.956 0.031 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 109 . 1 1 123 123 GLY N . . 0.945 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 110 . 1 1 124 124 TYR N . . 0.711 0.029 0.029 0.009 . . . . . . . . . . . . . . . . . . . . . 5991 1 111 . 1 1 125 125 THR N . . 0.851 0.032 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 112 . 1 1 127 127 GLU N . . 0.869 0.033 0.083 0.251 . . . . . . . . . . . . . . . . . . . . . 5991 1 113 . 1 1 128 128 GLU N . . 0.986 0.028 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 114 . 1 1 129 129 LEU N . . 0.988 0.026 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 115 . 1 1 130 130 HIS N . . 0.949 0.034 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 116 . 1 1 131 131 ALA N . . 0.908 0.036 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 117 . 1 1 132 132 MET N . . 0.871 0.031 0.083 0.209 . . . . . . . . . . . . . . . . . . . . . 5991 1 118 . 1 1 133 133 LEU N . . 0.891 0.034 . . . . . . . . . . . . . . . . . . . . . . . 5991 1 119 . 1 1 134 134 ASP N . . 0.854 0.031 0.075 0.034 . . . . . . . . . . . . . . . . . . . . . 5991 1 120 . 1 1 135 135 VAL N . . 0.805 0.029 0.067 0.020 . . . . . . . . . . . . . . . . . . . . . 5991 1 121 . 1 1 136 136 LYS N . . 0.564 0.056 1.294 0.145 . . . . . . . . 0.806 0.033 . . . . . . . . . . . 5991 1 122 . 1 1 138 138 ASP N . . 0.366 0.058 1.100 0.077 . . . . . . . . 0.800 0.042 . . . . . . . . . . . 5991 1 123 . 1 1 139 139 ALA N . . 0.180 0.069 0.908 0.067 . . . . . . . . 0.718 0.039 . . . . . . . . . . . 5991 1 124 . 1 1 140 140 ASP N . . 0.074 0.084 0.779 0.078 . . . . . . . . 0.499 0.033 . . . . . . . . . . . 5991 1 stop_ save_