data_5679 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5679 _Entry.Title ; 1H, 13C and 15N chemical assignment of xylan-binding domain from Streptomyces olivaceoviridis E-86 beta-xylanase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-30 _Entry.Accession_date 2003-01-30 _Entry.Last_release_date 2003-07-17 _Entry.Original_release_date 2003-07-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hikaru Hemmi . . . 5679 2 Atsushi Kuno . . . 5679 3 Shigeyasu Ito . . . 5679 4 Satoshi Kaneko . . . 5679 5 Tsunemi Hasegawa . . . 5679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 808 5679 '13C chemical shifts' 515 5679 '15N chemical shifts' 151 5679 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 . . 2003-07-17 2003-01-30 original author . 5679 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5679 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22760843 _Citation.DOI . _Citation.PubMed_ID 12878846 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Chemical Shift Assignment of Xylan-binding Domain from Streptomyces olivaceoviridis E-86 Beta-xylanase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 92 _Citation.Year 2003 _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 Hikaru Hemmi . . . 5679 1 2 Atsushi Kuno . . . 5679 1 3 Shigeyasu Ito . . . 5679 1 4 Satoshi Kaneko . . . 5679 1 5 Tsunemi Hasegawa . . . 5679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_xbd _Assembly.Sf_category assembly _Assembly.Sf_framecode system_xbd _Assembly.Entry_ID 5679 _Assembly.ID 1 _Assembly.Name 'xylan-binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 5679 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 'xbd monomer' 1 $xbd_monomer . . . native . . . . . 5679 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 5679 1 2 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . 5679 1 3 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 121 121 SG . . . . . . . . . . 5679 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 1XYF . . . . . 'X-ray structure of dimers of 436 residues' 5679 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'xylan-binding domain' system 5679 1 xbd abbreviation 5679 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'carbohydrate binding' 5679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_xbd_monomer _Entity.Sf_category entity _Entity.Sf_framecode xbd_monomer _Entity.Entry_ID 5679 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'xylan-binding domain' _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 ; STPPPSGGGQIKGVGSGRCL DVPNASTTDGTQVQLYDCHS ATNQQWTYTDAGELRVYGDK CLDAAGTGNGTKVQIYSCWG GDNQKWRLNSDGSIVGVQSG LCLDAVGGGTANGTLIQLYS CSNGSNQRWTRT ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ISV . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 2 no PDB 1ISW . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylobiose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 3 no PDB 1ISX . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Xylotriose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 4 no PDB 1ISY . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Glucose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 5 no PDB 1ISZ . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Galactose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 6 no PDB 1IT0 . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With Lactose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 7 no PDB 1V6U . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 2(2)-Alpha-L- Arabinofuranosyl-Xylobiose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 8 no PDB 1V6V . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 3(2)-Alpha-L- Arabinofuranosyl-Xylotriose" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 9 no PDB 1V6W . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 2(2)-4-O-Methyl-Alpha- D-Glucuronosyl-Xylob" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 10 no PDB 1V6X . "Crystal Structure Of Xylanase From Streptomyces Olivaceoviridis E-86 Complexed With 3(3)-4-o-methyl-alpha- D-glucuronosyl-xylot" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 11 no PDB 1XYF . "Endo-1,4-Beta-Xylanase From Streptomyces Olivaceoviridis" . . . . . 100.00 436 100.00 100.00 1.54e-86 . . . . 5679 1 12 no PDB 2D1Z . "Crystal Structure Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" . . . . . 100.00 436 100.00 100.00 1.65e-86 . . . . 5679 1 13 no PDB 2D20 . "Crystal Structure Of Michaelis Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" . . . . . 100.00 436 100.00 100.00 1.65e-86 . . . . 5679 1 14 no PDB 2D22 . "Crystal Structure Of Covalent Glycosyl-Enzyme Intermediate Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis " . . . . . 100.00 436 100.00 100.00 1.65e-86 . . . . 5679 1 15 no PDB 2D23 . "Crystal Structure Of Ep Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" . . . . . 100.00 436 100.00 100.00 1.65e-86 . . . . 5679 1 16 no PDB 2D24 . "Crystal Structure Of Es Complex Of Catalytic-Site Mutant Xylanase From Streptomyces Olivaceoviridis E-86" . . . . . 100.00 436 100.00 100.00 1.65e-86 . . . . 5679 1 17 no GB AEY92251 . "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis 5008]" . . . . . 100.00 477 100.00 100.00 4.18e-86 . . . . 5679 1 18 no GB AGF66405 . "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis TL01]" . . . . . 100.00 477 100.00 100.00 4.18e-86 . . . . 5679 1 19 no REF WP_014675535 . "endo-1,4-beta-xylanase [Streptomyces hygroscopicus]" . . . . . 100.00 477 100.00 100.00 4.18e-86 . . . . 5679 1 20 no REF YP_006248123 . "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis 5008]" . . . . . 100.00 477 100.00 100.00 4.18e-86 . . . . 5679 1 21 no REF YP_007695739 . "endo-1,4-beta-xylanase [Streptomyces hygroscopicus subsp. jinggangensis TL01]" . . . . . 100.00 477 100.00 100.00 4.18e-86 . . . . 5679 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'xylan-binding domain' common 5679 1 xbd abbreviation 5679 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 1 305 SER . 5679 1 2 306 THR . 5679 1 3 307 PRO . 5679 1 4 308 PRO . 5679 1 5 309 PRO . 5679 1 6 310 SER . 5679 1 7 311 GLY . 5679 1 8 312 GLY . 5679 1 9 313 GLY . 5679 1 10 314 GLN . 5679 1 11 315 ILE . 5679 1 12 316 LYS . 5679 1 13 317 GLY . 5679 1 14 318 VAL . 5679 1 15 319 GLY . 5679 1 16 320 SER . 5679 1 17 321 GLY . 5679 1 18 322 ARG . 5679 1 19 323 CYS . 5679 1 20 324 LEU . 5679 1 21 325 ASP . 5679 1 22 326 VAL . 5679 1 23 327 PRO . 5679 1 24 328 ASN . 5679 1 25 329 ALA . 5679 1 26 330 SER . 5679 1 27 331 THR . 5679 1 28 332 THR . 5679 1 29 333 ASP . 5679 1 30 334 GLY . 5679 1 31 335 THR . 5679 1 32 336 GLN . 5679 1 33 337 VAL . 5679 1 34 338 GLN . 5679 1 35 339 LEU . 5679 1 36 340 TYR . 5679 1 37 341 ASP . 5679 1 38 342 CYS . 5679 1 39 343 HIS . 5679 1 40 344 SER . 5679 1 41 345 ALA . 5679 1 42 346 THR . 5679 1 43 347 ASN . 5679 1 44 348 GLN . 5679 1 45 349 GLN . 5679 1 46 350 TRP . 5679 1 47 351 THR . 5679 1 48 352 TYR . 5679 1 49 353 THR . 5679 1 50 354 ASP . 5679 1 51 355 ALA . 5679 1 52 356 GLY . 5679 1 53 357 GLU . 5679 1 54 358 LEU . 5679 1 55 359 ARG . 5679 1 56 360 VAL . 5679 1 57 361 TYR . 5679 1 58 362 GLY . 5679 1 59 363 ASP . 5679 1 60 364 LYS . 5679 1 61 365 CYS . 5679 1 62 366 LEU . 5679 1 63 367 ASP . 5679 1 64 368 ALA . 5679 1 65 369 ALA . 5679 1 66 370 GLY . 5679 1 67 371 THR . 5679 1 68 372 GLY . 5679 1 69 373 ASN . 5679 1 70 374 GLY . 5679 1 71 375 THR . 5679 1 72 376 LYS . 5679 1 73 377 VAL . 5679 1 74 378 GLN . 5679 1 75 379 ILE . 5679 1 76 380 TYR . 5679 1 77 381 SER . 5679 1 78 382 CYS . 5679 1 79 383 TRP . 5679 1 80 384 GLY . 5679 1 81 385 GLY . 5679 1 82 386 ASP . 5679 1 83 387 ASN . 5679 1 84 388 GLN . 5679 1 85 389 LYS . 5679 1 86 390 TRP . 5679 1 87 391 ARG . 5679 1 88 392 LEU . 5679 1 89 393 ASN . 5679 1 90 394 SER . 5679 1 91 395 ASP . 5679 1 92 396 GLY . 5679 1 93 397 SER . 5679 1 94 398 ILE . 5679 1 95 399 VAL . 5679 1 96 400 GLY . 5679 1 97 401 VAL . 5679 1 98 402 GLN . 5679 1 99 403 SER . 5679 1 100 404 GLY . 5679 1 101 405 LEU . 5679 1 102 406 CYS . 5679 1 103 407 LEU . 5679 1 104 408 ASP . 5679 1 105 409 ALA . 5679 1 106 410 VAL . 5679 1 107 411 GLY . 5679 1 108 412 GLY . 5679 1 109 413 GLY . 5679 1 110 414 THR . 5679 1 111 415 ALA . 5679 1 112 416 ASN . 5679 1 113 417 GLY . 5679 1 114 418 THR . 5679 1 115 419 LEU . 5679 1 116 420 ILE . 5679 1 117 421 GLN . 5679 1 118 422 LEU . 5679 1 119 423 TYR . 5679 1 120 424 SER . 5679 1 121 425 CYS . 5679 1 122 426 SER . 5679 1 123 427 ASN . 5679 1 124 428 GLY . 5679 1 125 429 SER . 5679 1 126 430 ASN . 5679 1 127 431 GLN . 5679 1 128 432 ARG . 5679 1 129 433 TRP . 5679 1 130 434 THR . 5679 1 131 435 ARG . 5679 1 132 436 THR . 5679 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 . SER 1 1 5679 1 . THR 2 2 5679 1 . PRO 3 3 5679 1 . PRO 4 4 5679 1 . PRO 5 5 5679 1 . SER 6 6 5679 1 . GLY 7 7 5679 1 . GLY 8 8 5679 1 . GLY 9 9 5679 1 . GLN 10 10 5679 1 . ILE 11 11 5679 1 . LYS 12 12 5679 1 . GLY 13 13 5679 1 . VAL 14 14 5679 1 . GLY 15 15 5679 1 . SER 16 16 5679 1 . GLY 17 17 5679 1 . ARG 18 18 5679 1 . CYS 19 19 5679 1 . LEU 20 20 5679 1 . ASP 21 21 5679 1 . VAL 22 22 5679 1 . PRO 23 23 5679 1 . ASN 24 24 5679 1 . ALA 25 25 5679 1 . SER 26 26 5679 1 . THR 27 27 5679 1 . THR 28 28 5679 1 . ASP 29 29 5679 1 . GLY 30 30 5679 1 . THR 31 31 5679 1 . GLN 32 32 5679 1 . VAL 33 33 5679 1 . GLN 34 34 5679 1 . LEU 35 35 5679 1 . TYR 36 36 5679 1 . ASP 37 37 5679 1 . CYS 38 38 5679 1 . HIS 39 39 5679 1 . SER 40 40 5679 1 . ALA 41 41 5679 1 . THR 42 42 5679 1 . ASN 43 43 5679 1 . GLN 44 44 5679 1 . GLN 45 45 5679 1 . TRP 46 46 5679 1 . THR 47 47 5679 1 . TYR 48 48 5679 1 . THR 49 49 5679 1 . ASP 50 50 5679 1 . ALA 51 51 5679 1 . GLY 52 52 5679 1 . GLU 53 53 5679 1 . LEU 54 54 5679 1 . ARG 55 55 5679 1 . VAL 56 56 5679 1 . TYR 57 57 5679 1 . GLY 58 58 5679 1 . ASP 59 59 5679 1 . LYS 60 60 5679 1 . CYS 61 61 5679 1 . LEU 62 62 5679 1 . ASP 63 63 5679 1 . ALA 64 64 5679 1 . ALA 65 65 5679 1 . GLY 66 66 5679 1 . THR 67 67 5679 1 . GLY 68 68 5679 1 . ASN 69 69 5679 1 . GLY 70 70 5679 1 . THR 71 71 5679 1 . LYS 72 72 5679 1 . VAL 73 73 5679 1 . GLN 74 74 5679 1 . ILE 75 75 5679 1 . TYR 76 76 5679 1 . SER 77 77 5679 1 . CYS 78 78 5679 1 . TRP 79 79 5679 1 . GLY 80 80 5679 1 . GLY 81 81 5679 1 . ASP 82 82 5679 1 . ASN 83 83 5679 1 . GLN 84 84 5679 1 . LYS 85 85 5679 1 . TRP 86 86 5679 1 . ARG 87 87 5679 1 . LEU 88 88 5679 1 . ASN 89 89 5679 1 . SER 90 90 5679 1 . ASP 91 91 5679 1 . GLY 92 92 5679 1 . SER 93 93 5679 1 . ILE 94 94 5679 1 . VAL 95 95 5679 1 . GLY 96 96 5679 1 . VAL 97 97 5679 1 . GLN 98 98 5679 1 . SER 99 99 5679 1 . GLY 100 100 5679 1 . LEU 101 101 5679 1 . CYS 102 102 5679 1 . LEU 103 103 5679 1 . ASP 104 104 5679 1 . ALA 105 105 5679 1 . VAL 106 106 5679 1 . GLY 107 107 5679 1 . GLY 108 108 5679 1 . GLY 109 109 5679 1 . THR 110 110 5679 1 . ALA 111 111 5679 1 . ASN 112 112 5679 1 . GLY 113 113 5679 1 . THR 114 114 5679 1 . LEU 115 115 5679 1 . ILE 116 116 5679 1 . GLN 117 117 5679 1 . LEU 118 118 5679 1 . TYR 119 119 5679 1 . SER 120 120 5679 1 . CYS 121 121 5679 1 . SER 122 122 5679 1 . ASN 123 123 5679 1 . GLY 124 124 5679 1 . SER 125 125 5679 1 . ASN 126 126 5679 1 . GLN 127 127 5679 1 . ARG 128 128 5679 1 . TRP 129 129 5679 1 . THR 130 130 5679 1 . ARG 131 131 5679 1 . THR 132 132 5679 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 5679 _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 $xbd_monomer . 1921 . . 'Streptomyces olivaceoviridis' 'Streptomyces olivaceoviridis' . . Eubacteria . Streptomyces olivaceoviridis . . . . . . . . . . . . . . . . . . . . . 5679 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 5679 _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 $xbd_monomer . 'recombinant technology' 'Esherichia coli' 'E. coli' . . Esherichia coli BL21 . . . . . . . . . . . . plasmid . . pET27 . . . . . . 5679 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5679 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'xylan-binding domain' '[U-95% 13C; U-90% 15N]' . . 1 $xbd_monomer . . . 0.9 . mM . . . . 5679 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5679 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.01 na 5679 1 temperature 303 0.01 K 5679 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5679 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 5679 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5679 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5679 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5679 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5679 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5679 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5679 _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 Bruker Avance . 500 . . . 5679 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 5679 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 4 HNCOCAHACACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 7 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 8 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 9 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 11 1H-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 12 1H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 13 CT-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 14 NOESY-CT-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 1 15 TOCSY-CT-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5679 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 5679 _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 5679 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCOCAHACACONH _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 5679 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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 5679 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCONH _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 5679 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCONH _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 5679 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-COSY _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 5679 _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 5679 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 1H-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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 1H-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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CT-13C-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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name NOESY-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_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5679 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name TOCSY-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_ #################### # 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 5679 _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 1.000000000 . . . . . . . . . 5679 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5679 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5679 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 5679 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $sample_1 . 5679 1 2 HNCA 1 $sample_1 . 5679 1 3 HNCO 1 $sample_1 . 5679 1 4 HNCOCAHACACONH 1 $sample_1 . 5679 1 5 CBCACONH 1 $sample_1 . 5679 1 6 HNCACB 1 $sample_1 . 5679 1 7 CCONH 1 $sample_1 . 5679 1 8 HCCONH 1 $sample_1 . 5679 1 9 HCCH-COSY 1 $sample_1 . 5679 1 10 HCCH-TOCSY 1 $sample_1 . 5679 1 11 1H-NOESY 1 $sample_1 . 5679 1 12 1H-TOCSY 1 $sample_1 . 5679 1 13 CT-13C-HSQC 1 $sample_1 . 5679 1 14 NOESY-CT-HSQC 1 $sample_1 . 5679 1 15 TOCSY-CT-HSQC 1 $sample_1 . 5679 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 5 5 PRO HA H 1 4.48 . . 1 . . . . . . . . 5679 1 2 . 1 1 5 5 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 5679 1 3 . 1 1 5 5 PRO HB3 H 1 2.31 . . 2 . . . . . . . . 5679 1 4 . 1 1 5 5 PRO HG2 H 1 2.03 . . 1 . . . . . . . . 5679 1 5 . 1 1 5 5 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 5679 1 6 . 1 1 5 5 PRO HD2 H 1 3.65 . . 2 . . . . . . . . 5679 1 7 . 1 1 5 5 PRO HD3 H 1 3.82 . . 2 . . . . . . . . 5679 1 8 . 1 1 5 5 PRO C C 13 177.5 . . 1 . . . . . . . . 5679 1 9 . 1 1 5 5 PRO CA C 13 62.8 . . 1 . . . . . . . . 5679 1 10 . 1 1 5 5 PRO CB C 13 31.7 . . 1 . . . . . . . . 5679 1 11 . 1 1 5 5 PRO CG C 13 26.9 . . 1 . . . . . . . . 5679 1 12 . 1 1 5 5 PRO CD C 13 50.2 . . 1 . . . . . . . . 5679 1 13 . 1 1 5 5 PRO N N 15 136.5 . . 1 . . . . . . . . 5679 1 14 . 1 1 6 6 SER H H 1 8.36 . . 1 . . . . . . . . 5679 1 15 . 1 1 6 6 SER HA H 1 4.49 . . 1 . . . . . . . . 5679 1 16 . 1 1 6 6 SER HB2 H 1 3.89 . . 1 . . . . . . . . 5679 1 17 . 1 1 6 6 SER HB3 H 1 3.89 . . 1 . . . . . . . . 5679 1 18 . 1 1 6 6 SER C C 13 175.3 . . 1 . . . . . . . . 5679 1 19 . 1 1 6 6 SER CA C 13 58.1 . . 1 . . . . . . . . 5679 1 20 . 1 1 6 6 SER CB C 13 63.9 . . 1 . . . . . . . . 5679 1 21 . 1 1 6 6 SER N N 15 117.2 . . 1 . . . . . . . . 5679 1 22 . 1 1 7 7 GLY H H 1 8.37 . . 1 . . . . . . . . 5679 1 23 . 1 1 7 7 GLY HA2 H 1 4.04 . . 1 . . . . . . . . 5679 1 24 . 1 1 7 7 GLY HA3 H 1 4.04 . . 1 . . . . . . . . 5679 1 25 . 1 1 7 7 GLY C C 13 174.5 . . 1 . . . . . . . . 5679 1 26 . 1 1 7 7 GLY CA C 13 44.9 . . 1 . . . . . . . . 5679 1 27 . 1 1 7 7 GLY N N 15 111.4 . . 1 . . . . . . . . 5679 1 28 . 1 1 8 8 GLY H H 1 8.19 . . 1 . . . . . . . . 5679 1 29 . 1 1 8 8 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 5679 1 30 . 1 1 8 8 GLY HA3 H 1 4.21 . . 2 . . . . . . . . 5679 1 31 . 1 1 8 8 GLY C C 13 174.0 . . 1 . . . . . . . . 5679 1 32 . 1 1 8 8 GLY CA C 13 44.7 . . 1 . . . . . . . . 5679 1 33 . 1 1 8 8 GLY N N 15 109.9 . . 1 . . . . . . . . 5679 1 34 . 1 1 9 9 GLY H H 1 8.38 . . 1 . . . . . . . . 5679 1 35 . 1 1 9 9 GLY HA2 H 1 4.17 . . 2 . . . . . . . . 5679 1 36 . 1 1 9 9 GLY HA3 H 1 4.43 . . 2 . . . . . . . . 5679 1 37 . 1 1 9 9 GLY C C 13 173.9 . . 1 . . . . . . . . 5679 1 38 . 1 1 9 9 GLY CA C 13 45.0 . . 1 . . . . . . . . 5679 1 39 . 1 1 9 9 GLY N N 15 108.2 . . 1 . . . . . . . . 5679 1 40 . 1 1 10 10 GLN H H 1 8.30 . . 1 . . . . . . . . 5679 1 41 . 1 1 10 10 GLN HA H 1 4.98 . . 1 . . . . . . . . 5679 1 42 . 1 1 10 10 GLN HB2 H 1 2.22 . . 1 . . . . . . . . 5679 1 43 . 1 1 10 10 GLN HB3 H 1 2.22 . . 1 . . . . . . . . 5679 1 44 . 1 1 10 10 GLN HG2 H 1 2.49 . . 2 . . . . . . . . 5679 1 45 . 1 1 10 10 GLN HG3 H 1 2.72 . . 2 . . . . . . . . 5679 1 46 . 1 1 10 10 GLN HE21 H 1 6.88 . . 2 . . . . . . . . 5679 1 47 . 1 1 10 10 GLN HE22 H 1 7.33 . . 2 . . . . . . . . 5679 1 48 . 1 1 10 10 GLN C C 13 177.4 . . 1 . . . . . . . . 5679 1 49 . 1 1 10 10 GLN CA C 13 55.5 . . 1 . . . . . . . . 5679 1 50 . 1 1 10 10 GLN CB C 13 30.1 . . 1 . . . . . . . . 5679 1 51 . 1 1 10 10 GLN CG C 13 34.6 . . 1 . . . . . . . . 5679 1 52 . 1 1 10 10 GLN CD C 13 180.6 . . 1 . . . . . . . . 5679 1 53 . 1 1 10 10 GLN N N 15 120.2 . . 1 . . . . . . . . 5679 1 54 . 1 1 10 10 GLN NE2 N 15 114.4 . . 1 . . . . . . . . 5679 1 55 . 1 1 11 11 ILE H H 1 9.26 . . 1 . . . . . . . . 5679 1 56 . 1 1 11 11 ILE HA H 1 4.45 . . 1 . . . . . . . . 5679 1 57 . 1 1 11 11 ILE HB H 1 1.28 . . 1 . . . . . . . . 5679 1 58 . 1 1 11 11 ILE HG12 H 1 0.66 . . 2 . . . . . . . . 5679 1 59 . 1 1 11 11 ILE HG13 H 1 1.47 . . 2 . . . . . . . . 5679 1 60 . 1 1 11 11 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 5679 1 61 . 1 1 11 11 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 5679 1 62 . 1 1 11 11 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 5679 1 63 . 1 1 11 11 ILE HD11 H 1 0.13 . . 1 . . . . . . . . 5679 1 64 . 1 1 11 11 ILE HD12 H 1 0.13 . . 1 . . . . . . . . 5679 1 65 . 1 1 11 11 ILE HD13 H 1 0.13 . . 1 . . . . . . . . 5679 1 66 . 1 1 11 11 ILE C C 13 173.9 . . 1 . . . . . . . . 5679 1 67 . 1 1 11 11 ILE CA C 13 61.7 . . 1 . . . . . . . . 5679 1 68 . 1 1 11 11 ILE CB C 13 38.4 . . 1 . . . . . . . . 5679 1 69 . 1 1 11 11 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 5679 1 70 . 1 1 11 11 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 5679 1 71 . 1 1 11 11 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 5679 1 72 . 1 1 11 11 ILE N N 15 124.2 . . 1 . . . . . . . . 5679 1 73 . 1 1 12 12 LYS H H 1 9.10 . . 1 . . . . . . . . 5679 1 74 . 1 1 12 12 LYS HA H 1 5.06 . . 1 . . . . . . . . 5679 1 75 . 1 1 12 12 LYS HB2 H 1 1.50 . . 2 . . . . . . . . 5679 1 76 . 1 1 12 12 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 5679 1 77 . 1 1 12 12 LYS HG2 H 1 1.11 . . 2 . . . . . . . . 5679 1 78 . 1 1 12 12 LYS HG3 H 1 1.15 . . 2 . . . . . . . . 5679 1 79 . 1 1 12 12 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 5679 1 80 . 1 1 12 12 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 5679 1 81 . 1 1 12 12 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 5679 1 82 . 1 1 12 12 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 5679 1 83 . 1 1 12 12 LYS C C 13 177.3 . . 1 . . . . . . . . 5679 1 84 . 1 1 12 12 LYS CA C 13 54.4 . . 1 . . . . . . . . 5679 1 85 . 1 1 12 12 LYS CB C 13 35.7 . . 1 . . . . . . . . 5679 1 86 . 1 1 12 12 LYS CG C 13 24.4 . . 1 . . . . . . . . 5679 1 87 . 1 1 12 12 LYS CD C 13 29.8 . . 1 . . . . . . . . 5679 1 88 . 1 1 12 12 LYS CE C 13 41.6 . . 1 . . . . . . . . 5679 1 89 . 1 1 12 12 LYS N N 15 129.6 . . 1 . . . . . . . . 5679 1 90 . 1 1 13 13 GLY H H 1 9.96 . . 1 . . . . . . . . 5679 1 91 . 1 1 13 13 GLY HA2 H 1 2.90 . . 2 . . . . . . . . 5679 1 92 . 1 1 13 13 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 5679 1 93 . 1 1 13 13 GLY C C 13 175.6 . . 1 . . . . . . . . 5679 1 94 . 1 1 13 13 GLY CA C 13 46.6 . . 1 . . . . . . . . 5679 1 95 . 1 1 13 13 GLY N N 15 116.5 . . 1 . . . . . . . . 5679 1 96 . 1 1 14 14 VAL H H 1 8.36 . . 1 . . . . . . . . 5679 1 97 . 1 1 14 14 VAL HA H 1 3.51 . . 1 . . . . . . . . 5679 1 98 . 1 1 14 14 VAL HB H 1 1.69 . . 1 . . . . . . . . 5679 1 99 . 1 1 14 14 VAL HG11 H 1 0.80 . . 1 . . . . . . . . 5679 1 100 . 1 1 14 14 VAL HG12 H 1 0.80 . . 1 . . . . . . . . 5679 1 101 . 1 1 14 14 VAL HG13 H 1 0.80 . . 1 . . . . . . . . 5679 1 102 . 1 1 14 14 VAL HG21 H 1 0.80 . . 1 . . . . . . . . 5679 1 103 . 1 1 14 14 VAL HG22 H 1 0.80 . . 1 . . . . . . . . 5679 1 104 . 1 1 14 14 VAL HG23 H 1 0.80 . . 1 . . . . . . . . 5679 1 105 . 1 1 14 14 VAL C C 13 178.7 . . 1 . . . . . . . . 5679 1 106 . 1 1 14 14 VAL CA C 13 65.7 . . 1 . . . . . . . . 5679 1 107 . 1 1 14 14 VAL CB C 13 31.3 . . 1 . . . . . . . . 5679 1 108 . 1 1 14 14 VAL CG1 C 13 20.0 . . 2 . . . . . . . . 5679 1 109 . 1 1 14 14 VAL CG2 C 13 22.7 . . 2 . . . . . . . . 5679 1 110 . 1 1 14 14 VAL N N 15 129.6 . . 1 . . . . . . . . 5679 1 111 . 1 1 15 15 GLY H H 1 7.32 . . 1 . . . . . . . . 5679 1 112 . 1 1 15 15 GLY HA2 H 1 3.38 . . 2 . . . . . . . . 5679 1 113 . 1 1 15 15 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 5679 1 114 . 1 1 15 15 GLY C C 13 174.7 . . 1 . . . . . . . . 5679 1 115 . 1 1 15 15 GLY CA C 13 46.6 . . 1 . . . . . . . . 5679 1 116 . 1 1 15 15 GLY N N 15 105.3 . . 1 . . . . . . . . 5679 1 117 . 1 1 16 16 SER H H 1 7.78 . . 1 . . . . . . . . 5679 1 118 . 1 1 16 16 SER HA H 1 4.20 . . 1 . . . . . . . . 5679 1 119 . 1 1 16 16 SER HB2 H 1 3.68 . . 2 . . . . . . . . 5679 1 120 . 1 1 16 16 SER HB3 H 1 3.90 . . 2 . . . . . . . . 5679 1 121 . 1 1 16 16 SER C C 13 176.0 . . 1 . . . . . . . . 5679 1 122 . 1 1 16 16 SER CA C 13 58.5 . . 1 . . . . . . . . 5679 1 123 . 1 1 16 16 SER CB C 13 65.1 . . 1 . . . . . . . . 5679 1 124 . 1 1 16 16 SER N N 15 111.6 . . 1 . . . . . . . . 5679 1 125 . 1 1 17 17 GLY H H 1 8.16 . . 1 . . . . . . . . 5679 1 126 . 1 1 17 17 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 5679 1 127 . 1 1 17 17 GLY HA3 H 1 4.10 . . 2 . . . . . . . . 5679 1 128 . 1 1 17 17 GLY C C 13 173.8 . . 1 . . . . . . . . 5679 1 129 . 1 1 17 17 GLY CA C 13 46.1 . . 1 . . . . . . . . 5679 1 130 . 1 1 17 17 GLY N N 15 113.6 . . 1 . . . . . . . . 5679 1 131 . 1 1 18 18 ARG H H 1 8.07 . . 1 . . . . . . . . 5679 1 132 . 1 1 18 18 ARG HA H 1 4.69 . . 1 . . . . . . . . 5679 1 133 . 1 1 18 18 ARG HB2 H 1 1.38 . . 2 . . . . . . . . 5679 1 134 . 1 1 18 18 ARG HB3 H 1 1.62 . . 2 . . . . . . . . 5679 1 135 . 1 1 18 18 ARG HG2 H 1 1.24 . . 2 . . . . . . . . 5679 1 136 . 1 1 18 18 ARG HG3 H 1 1.89 . . 2 . . . . . . . . 5679 1 137 . 1 1 18 18 ARG HD2 H 1 2.46 . . 2 . . . . . . . . 5679 1 138 . 1 1 18 18 ARG HD3 H 1 3.53 . . 2 . . . . . . . . 5679 1 139 . 1 1 18 18 ARG HE H 1 6.61 . . 1 . . . . . . . . 5679 1 140 . 1 1 18 18 ARG C C 13 173.8 . . 1 . . . . . . . . 5679 1 141 . 1 1 18 18 ARG CA C 13 55.9 . . 1 . . . . . . . . 5679 1 142 . 1 1 18 18 ARG CB C 13 33.4 . . 1 . . . . . . . . 5679 1 143 . 1 1 18 18 ARG CG C 13 30.9 . . 1 . . . . . . . . 5679 1 144 . 1 1 18 18 ARG CD C 13 42.5 . . 1 . . . . . . . . 5679 1 145 . 1 1 18 18 ARG CZ C 13 159.9 . . 1 . . . . . . . . 5679 1 146 . 1 1 18 18 ARG N N 15 120.4 . . 1 . . . . . . . . 5679 1 147 . 1 1 18 18 ARG NE N 15 90.2 . . 1 . . . . . . . . 5679 1 148 . 1 1 19 19 CYS H H 1 8.74 . . 1 . . . . . . . . 5679 1 149 . 1 1 19 19 CYS HA H 1 5.64 . . 1 . . . . . . . . 5679 1 150 . 1 1 19 19 CYS HB2 H 1 3.09 . . 2 . . . . . . . . 5679 1 151 . 1 1 19 19 CYS HB3 H 1 3.54 . . 2 . . . . . . . . 5679 1 152 . 1 1 19 19 CYS C C 13 174.7 . . 1 . . . . . . . . 5679 1 153 . 1 1 19 19 CYS CA C 13 60.1 . . 1 . . . . . . . . 5679 1 154 . 1 1 19 19 CYS CB C 13 43.4 . . 1 . . . . . . . . 5679 1 155 . 1 1 19 19 CYS N N 15 120.2 . . 1 . . . . . . . . 5679 1 156 . 1 1 20 20 LEU H H 1 8.63 . . 1 . . . . . . . . 5679 1 157 . 1 1 20 20 LEU HA H 1 4.39 . . 1 . . . . . . . . 5679 1 158 . 1 1 20 20 LEU HB2 H 1 0.97 . . 2 . . . . . . . . 5679 1 159 . 1 1 20 20 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 5679 1 160 . 1 1 20 20 LEU HG H 1 0.94 . . 1 . . . . . . . . 5679 1 161 . 1 1 20 20 LEU HD11 H 1 -0.60 . . 2 . . . . . . . . 5679 1 162 . 1 1 20 20 LEU HD12 H 1 -0.60 . . 2 . . . . . . . . 5679 1 163 . 1 1 20 20 LEU HD13 H 1 -0.60 . . 2 . . . . . . . . 5679 1 164 . 1 1 20 20 LEU HD21 H 1 -0.01 . . 2 . . . . . . . . 5679 1 165 . 1 1 20 20 LEU HD22 H 1 -0.01 . . 2 . . . . . . . . 5679 1 166 . 1 1 20 20 LEU HD23 H 1 -0.01 . . 2 . . . . . . . . 5679 1 167 . 1 1 20 20 LEU C C 13 177.9 . . 1 . . . . . . . . 5679 1 168 . 1 1 20 20 LEU CA C 13 56.0 . . 1 . . . . . . . . 5679 1 169 . 1 1 20 20 LEU CB C 13 42.0 . . 1 . . . . . . . . 5679 1 170 . 1 1 20 20 LEU CG C 13 25.8 . . 1 . . . . . . . . 5679 1 171 . 1 1 20 20 LEU CD1 C 13 23.5 . . 1 . . . . . . . . 5679 1 172 . 1 1 20 20 LEU CD2 C 13 23.5 . . 1 . . . . . . . . 5679 1 173 . 1 1 20 20 LEU N N 15 121.8 . . 1 . . . . . . . . 5679 1 174 . 1 1 21 21 ASP H H 1 9.71 . . 1 . . . . . . . . 5679 1 175 . 1 1 21 21 ASP HA H 1 5.32 . . 1 . . . . . . . . 5679 1 176 . 1 1 21 21 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 5679 1 177 . 1 1 21 21 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 5679 1 178 . 1 1 21 21 ASP C C 13 174.8 . . 1 . . . . . . . . 5679 1 179 . 1 1 21 21 ASP CA C 13 54.2 . . 1 . . . . . . . . 5679 1 180 . 1 1 21 21 ASP CB C 13 48.8 . . 1 . . . . . . . . 5679 1 181 . 1 1 21 21 ASP N N 15 134.6 . . 1 . . . . . . . . 5679 1 182 . 1 1 22 22 VAL H H 1 7.78 . . 1 . . . . . . . . 5679 1 183 . 1 1 22 22 VAL HA H 1 4.59 . . 1 . . . . . . . . 5679 1 184 . 1 1 22 22 VAL HB H 1 2.36 . . 1 . . . . . . . . 5679 1 185 . 1 1 22 22 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 5679 1 186 . 1 1 22 22 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 5679 1 187 . 1 1 22 22 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 5679 1 188 . 1 1 22 22 VAL HG21 H 1 1.15 . . 2 . . . . . . . . 5679 1 189 . 1 1 22 22 VAL HG22 H 1 1.15 . . 2 . . . . . . . . 5679 1 190 . 1 1 22 22 VAL HG23 H 1 1.15 . . 2 . . . . . . . . 5679 1 191 . 1 1 22 22 VAL CA C 13 59.8 . . 1 . . . . . . . . 5679 1 192 . 1 1 22 22 VAL CB C 13 31.6 . . 1 . . . . . . . . 5679 1 193 . 1 1 22 22 VAL CG1 C 13 22.5 . . 2 . . . . . . . . 5679 1 194 . 1 1 22 22 VAL CG2 C 13 23.5 . . 2 . . . . . . . . 5679 1 195 . 1 1 22 22 VAL N N 15 125.2 . . 1 . . . . . . . . 5679 1 196 . 1 1 23 23 PRO HA H 1 4.16 . . 1 . . . . . . . . 5679 1 197 . 1 1 23 23 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 5679 1 198 . 1 1 23 23 PRO HB3 H 1 2.07 . . 2 . . . . . . . . 5679 1 199 . 1 1 23 23 PRO HG2 H 1 1.80 . . 2 . . . . . . . . 5679 1 200 . 1 1 23 23 PRO HG3 H 1 2.25 . . 2 . . . . . . . . 5679 1 201 . 1 1 23 23 PRO HD2 H 1 3.76 . . 2 . . . . . . . . 5679 1 202 . 1 1 23 23 PRO HD3 H 1 4.33 . . 2 . . . . . . . . 5679 1 203 . 1 1 23 23 PRO C C 13 178.7 . . 1 . . . . . . . . 5679 1 204 . 1 1 23 23 PRO CA C 13 63.6 . . 1 . . . . . . . . 5679 1 205 . 1 1 23 23 PRO CB C 13 31.6 . . 1 . . . . . . . . 5679 1 206 . 1 1 23 23 PRO CG C 13 26.7 . . 1 . . . . . . . . 5679 1 207 . 1 1 23 23 PRO CD C 13 52.5 . . 1 . . . . . . . . 5679 1 208 . 1 1 24 24 ASN H H 1 9.51 . . 1 . . . . . . . . 5679 1 209 . 1 1 24 24 ASN HA H 1 4.22 . . 1 . . . . . . . . 5679 1 210 . 1 1 24 24 ASN HB2 H 1 2.76 . . 2 . . . . . . . . 5679 1 211 . 1 1 24 24 ASN HB3 H 1 2.93 . . 2 . . . . . . . . 5679 1 212 . 1 1 24 24 ASN HD21 H 1 6.93 . . 2 . . . . . . . . 5679 1 213 . 1 1 24 24 ASN HD22 H 1 7.51 . . 2 . . . . . . . . 5679 1 214 . 1 1 24 24 ASN C C 13 174.8 . . 1 . . . . . . . . 5679 1 215 . 1 1 24 24 ASN CA C 13 54.0 . . 1 . . . . . . . . 5679 1 216 . 1 1 24 24 ASN CB C 13 37.2 . . 1 . . . . . . . . 5679 1 217 . 1 1 24 24 ASN CG C 13 178.7 . . 1 . . . . . . . . 5679 1 218 . 1 1 24 24 ASN N N 15 120.7 . . 1 . . . . . . . . 5679 1 219 . 1 1 24 24 ASN ND2 N 15 115.3 . . 1 . . . . . . . . 5679 1 220 . 1 1 25 25 ALA H H 1 8.19 . . 1 . . . . . . . . 5679 1 221 . 1 1 25 25 ALA HA H 1 3.91 . . 1 . . . . . . . . 5679 1 222 . 1 1 25 25 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 5679 1 223 . 1 1 25 25 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 5679 1 224 . 1 1 25 25 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 5679 1 225 . 1 1 25 25 ALA C C 13 176.6 . . 1 . . . . . . . . 5679 1 226 . 1 1 25 25 ALA CA C 13 52.6 . . 1 . . . . . . . . 5679 1 227 . 1 1 25 25 ALA CB C 13 16.0 . . 1 . . . . . . . . 5679 1 228 . 1 1 25 25 ALA N N 15 118.2 . . 1 . . . . . . . . 5679 1 229 . 1 1 26 26 SER H H 1 7.37 . . 1 . . . . . . . . 5679 1 230 . 1 1 26 26 SER HA H 1 4.20 . . 1 . . . . . . . . 5679 1 231 . 1 1 26 26 SER HB2 H 1 3.69 . . 2 . . . . . . . . 5679 1 232 . 1 1 26 26 SER HB3 H 1 4.10 . . 2 . . . . . . . . 5679 1 233 . 1 1 26 26 SER C C 13 176.3 . . 1 . . . . . . . . 5679 1 234 . 1 1 26 26 SER CA C 13 58.1 . . 1 . . . . . . . . 5679 1 235 . 1 1 26 26 SER CB C 13 64.2 . . 1 . . . . . . . . 5679 1 236 . 1 1 26 26 SER N N 15 111.5 . . 1 . . . . . . . . 5679 1 237 . 1 1 27 27 THR H H 1 8.39 . . 1 . . . . . . . . 5679 1 238 . 1 1 27 27 THR HA H 1 4.26 . . 1 . . . . . . . . 5679 1 239 . 1 1 27 27 THR HB H 1 4.22 . . 1 . . . . . . . . 5679 1 240 . 1 1 27 27 THR HG21 H 1 0.37 . . 1 . . . . . . . . 5679 1 241 . 1 1 27 27 THR HG22 H 1 0.37 . . 1 . . . . . . . . 5679 1 242 . 1 1 27 27 THR HG23 H 1 0.37 . . 1 . . . . . . . . 5679 1 243 . 1 1 27 27 THR C C 13 174.4 . . 1 . . . . . . . . 5679 1 244 . 1 1 27 27 THR CA C 13 59.9 . . 1 . . . . . . . . 5679 1 245 . 1 1 27 27 THR CB C 13 68.6 . . 1 . . . . . . . . 5679 1 246 . 1 1 27 27 THR CG2 C 13 19.5 . . 1 . . . . . . . . 5679 1 247 . 1 1 27 27 THR N N 15 116.1 . . 1 . . . . . . . . 5679 1 248 . 1 1 28 28 THR H H 1 8.10 . . 1 . . . . . . . . 5679 1 249 . 1 1 28 28 THR HA H 1 3.99 . . 1 . . . . . . . . 5679 1 250 . 1 1 28 28 THR HB H 1 3.74 . . 1 . . . . . . . . 5679 1 251 . 1 1 28 28 THR HG21 H 1 1.25 . . 1 . . . . . . . . 5679 1 252 . 1 1 28 28 THR HG22 H 1 1.25 . . 1 . . . . . . . . 5679 1 253 . 1 1 28 28 THR HG23 H 1 1.25 . . 1 . . . . . . . . 5679 1 254 . 1 1 28 28 THR C C 13 175.2 . . 1 . . . . . . . . 5679 1 255 . 1 1 28 28 THR CA C 13 62.6 . . 1 . . . . . . . . 5679 1 256 . 1 1 28 28 THR CB C 13 69.1 . . 1 . . . . . . . . 5679 1 257 . 1 1 28 28 THR CG2 C 13 21.4 . . 1 . . . . . . . . 5679 1 258 . 1 1 28 28 THR N N 15 120.3 . . 1 . . . . . . . . 5679 1 259 . 1 1 29 29 ASP H H 1 8.85 . . 1 . . . . . . . . 5679 1 260 . 1 1 29 29 ASP HA H 1 4.22 . . 1 . . . . . . . . 5679 1 261 . 1 1 29 29 ASP HB2 H 1 1.99 . . 2 . . . . . . . . 5679 1 262 . 1 1 29 29 ASP HB3 H 1 2.31 . . 2 . . . . . . . . 5679 1 263 . 1 1 29 29 ASP C C 13 177.4 . . 1 . . . . . . . . 5679 1 264 . 1 1 29 29 ASP CA C 13 55.9 . . 1 . . . . . . . . 5679 1 265 . 1 1 29 29 ASP CB C 13 39.1 . . 1 . . . . . . . . 5679 1 266 . 1 1 29 29 ASP N N 15 132.0 . . 1 . . . . . . . . 5679 1 267 . 1 1 30 30 GLY H H 1 9.25 . . 1 . . . . . . . . 5679 1 268 . 1 1 30 30 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 5679 1 269 . 1 1 30 30 GLY HA3 H 1 4.40 . . 2 . . . . . . . . 5679 1 270 . 1 1 30 30 GLY C C 13 174.7 . . 1 . . . . . . . . 5679 1 271 . 1 1 30 30 GLY CA C 13 44.0 . . 1 . . . . . . . . 5679 1 272 . 1 1 30 30 GLY N N 15 111.2 . . 1 . . . . . . . . 5679 1 273 . 1 1 31 31 THR H H 1 7.39 . . 1 . . . . . . . . 5679 1 274 . 1 1 31 31 THR HA H 1 4.12 . . 1 . . . . . . . . 5679 1 275 . 1 1 31 31 THR HB H 1 4.09 . . 1 . . . . . . . . 5679 1 276 . 1 1 31 31 THR HG21 H 1 1.37 . . 1 . . . . . . . . 5679 1 277 . 1 1 31 31 THR HG22 H 1 1.37 . . 1 . . . . . . . . 5679 1 278 . 1 1 31 31 THR HG23 H 1 1.37 . . 1 . . . . . . . . 5679 1 279 . 1 1 31 31 THR C C 13 174.0 . . 1 . . . . . . . . 5679 1 280 . 1 1 31 31 THR CA C 13 64.1 . . 1 . . . . . . . . 5679 1 281 . 1 1 31 31 THR CB C 13 68.9 . . 1 . . . . . . . . 5679 1 282 . 1 1 31 31 THR CG2 C 13 21.4 . . 1 . . . . . . . . 5679 1 283 . 1 1 31 31 THR N N 15 118.5 . . 1 . . . . . . . . 5679 1 284 . 1 1 32 32 GLN H H 1 8.93 . . 1 . . . . . . . . 5679 1 285 . 1 1 32 32 GLN HA H 1 4.61 . . 1 . . . . . . . . 5679 1 286 . 1 1 32 32 GLN HB2 H 1 2.13 . . 2 . . . . . . . . 5679 1 287 . 1 1 32 32 GLN HB3 H 1 2.26 . . 2 . . . . . . . . 5679 1 288 . 1 1 32 32 GLN HG2 H 1 3.14 . . 2 . . . . . . . . 5679 1 289 . 1 1 32 32 GLN HG3 H 1 3.19 . . 2 . . . . . . . . 5679 1 290 . 1 1 32 32 GLN HE21 H 1 7.36 . . 2 . . . . . . . . 5679 1 291 . 1 1 32 32 GLN HE22 H 1 8.14 . . 2 . . . . . . . . 5679 1 292 . 1 1 32 32 GLN C C 13 176.0 . . 1 . . . . . . . . 5679 1 293 . 1 1 32 32 GLN CA C 13 56.4 . . 1 . . . . . . . . 5679 1 294 . 1 1 32 32 GLN CB C 13 28.0 . . 1 . . . . . . . . 5679 1 295 . 1 1 32 32 GLN CG C 13 33.6 . . 1 . . . . . . . . 5679 1 296 . 1 1 32 32 GLN CD C 13 180.2 . . 1 . . . . . . . . 5679 1 297 . 1 1 32 32 GLN N N 15 131.0 . . 1 . . . . . . . . 5679 1 298 . 1 1 32 32 GLN NE2 N 15 112.2 . . 1 . . . . . . . . 5679 1 299 . 1 1 33 33 VAL H H 1 7.77 . . 1 . . . . . . . . 5679 1 300 . 1 1 33 33 VAL HA H 1 4.48 . . 1 . . . . . . . . 5679 1 301 . 1 1 33 33 VAL HB H 1 2.05 . . 1 . . . . . . . . 5679 1 302 . 1 1 33 33 VAL HG11 H 1 0.72 . . 2 . . . . . . . . 5679 1 303 . 1 1 33 33 VAL HG12 H 1 0.72 . . 2 . . . . . . . . 5679 1 304 . 1 1 33 33 VAL HG13 H 1 0.72 . . 2 . . . . . . . . 5679 1 305 . 1 1 33 33 VAL HG21 H 1 1.00 . . 2 . . . . . . . . 5679 1 306 . 1 1 33 33 VAL HG22 H 1 1.00 . . 2 . . . . . . . . 5679 1 307 . 1 1 33 33 VAL HG23 H 1 1.00 . . 2 . . . . . . . . 5679 1 308 . 1 1 33 33 VAL C C 13 175.8 . . 1 . . . . . . . . 5679 1 309 . 1 1 33 33 VAL CA C 13 62.0 . . 1 . . . . . . . . 5679 1 310 . 1 1 33 33 VAL CB C 13 32.3 . . 1 . . . . . . . . 5679 1 311 . 1 1 33 33 VAL CG1 C 13 20.0 . . 2 . . . . . . . . 5679 1 312 . 1 1 33 33 VAL CG2 C 13 22.1 . . 2 . . . . . . . . 5679 1 313 . 1 1 33 33 VAL N N 15 119.1 . . 1 . . . . . . . . 5679 1 314 . 1 1 34 34 GLN H H 1 8.60 . . 1 . . . . . . . . 5679 1 315 . 1 1 34 34 GLN HA H 1 5.75 . . 1 . . . . . . . . 5679 1 316 . 1 1 34 34 GLN HB2 H 1 1.73 . . 2 . . . . . . . . 5679 1 317 . 1 1 34 34 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 5679 1 318 . 1 1 34 34 GLN HG2 H 1 2.21 . . 2 . . . . . . . . 5679 1 319 . 1 1 34 34 GLN HG3 H 1 2.65 . . 2 . . . . . . . . 5679 1 320 . 1 1 34 34 GLN HE21 H 1 6.54 . . 2 . . . . . . . . 5679 1 321 . 1 1 34 34 GLN HE22 H 1 8.32 . . 2 . . . . . . . . 5679 1 322 . 1 1 34 34 GLN C C 13 175.4 . . 1 . . . . . . . . 5679 1 323 . 1 1 34 34 GLN CA C 13 52.7 . . 1 . . . . . . . . 5679 1 324 . 1 1 34 34 GLN CB C 13 33.0 . . 1 . . . . . . . . 5679 1 325 . 1 1 34 34 GLN CG C 13 31.1 . . 1 . . . . . . . . 5679 1 326 . 1 1 34 34 GLN CD C 13 180.0 . . 1 . . . . . . . . 5679 1 327 . 1 1 34 34 GLN N N 15 117.1 . . 1 . . . . . . . . 5679 1 328 . 1 1 34 34 GLN NE2 N 15 113.0 . . 1 . . . . . . . . 5679 1 329 . 1 1 35 35 LEU H H 1 8.63 . . 1 . . . . . . . . 5679 1 330 . 1 1 35 35 LEU HA H 1 5.09 . . 1 . . . . . . . . 5679 1 331 . 1 1 35 35 LEU HB2 H 1 0.99 . . 2 . . . . . . . . 5679 1 332 . 1 1 35 35 LEU HB3 H 1 1.80 . . 2 . . . . . . . . 5679 1 333 . 1 1 35 35 LEU HG H 1 1.63 . . 1 . . . . . . . . 5679 1 334 . 1 1 35 35 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 5679 1 335 . 1 1 35 35 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 5679 1 336 . 1 1 35 35 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 5679 1 337 . 1 1 35 35 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 5679 1 338 . 1 1 35 35 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 5679 1 339 . 1 1 35 35 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 5679 1 340 . 1 1 35 35 LEU C C 13 178.6 . . 1 . . . . . . . . 5679 1 341 . 1 1 35 35 LEU CA C 13 53.3 . . 1 . . . . . . . . 5679 1 342 . 1 1 35 35 LEU CB C 13 44.3 . . 1 . . . . . . . . 5679 1 343 . 1 1 35 35 LEU CG C 13 25.4 . . 1 . . . . . . . . 5679 1 344 . 1 1 35 35 LEU CD1 C 13 22.2 . . 1 . . . . . . . . 5679 1 345 . 1 1 35 35 LEU CD2 C 13 22.2 . . 1 . . . . . . . . 5679 1 346 . 1 1 35 35 LEU N N 15 117.9 . . 1 . . . . . . . . 5679 1 347 . 1 1 36 36 TYR H H 1 9.45 . . 1 . . . . . . . . 5679 1 348 . 1 1 36 36 TYR HA H 1 4.92 . . 1 . . . . . . . . 5679 1 349 . 1 1 36 36 TYR HB2 H 1 2.57 . . 2 . . . . . . . . 5679 1 350 . 1 1 36 36 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 5679 1 351 . 1 1 36 36 TYR HD1 H 1 7.27 . . 1 . . . . . . . . 5679 1 352 . 1 1 36 36 TYR HD2 H 1 7.27 . . 1 . . . . . . . . 5679 1 353 . 1 1 36 36 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 5679 1 354 . 1 1 36 36 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 5679 1 355 . 1 1 36 36 TYR C C 13 173.7 . . 1 . . . . . . . . 5679 1 356 . 1 1 36 36 TYR CA C 13 57.4 . . 1 . . . . . . . . 5679 1 357 . 1 1 36 36 TYR CB C 13 44.2 . . 1 . . . . . . . . 5679 1 358 . 1 1 36 36 TYR CD1 C 13 133.9 . . 1 . . . . . . . . 5679 1 359 . 1 1 36 36 TYR CD2 C 13 133.9 . . 1 . . . . . . . . 5679 1 360 . 1 1 36 36 TYR CE1 C 13 117.8 . . 1 . . . . . . . . 5679 1 361 . 1 1 36 36 TYR CE2 C 13 117.8 . . 1 . . . . . . . . 5679 1 362 . 1 1 36 36 TYR N N 15 124.1 . . 1 . . . . . . . . 5679 1 363 . 1 1 37 37 ASP H H 1 7.41 . . 1 . . . . . . . . 5679 1 364 . 1 1 37 37 ASP HA H 1 4.46 . . 1 . . . . . . . . 5679 1 365 . 1 1 37 37 ASP HB2 H 1 2.35 . . 2 . . . . . . . . 5679 1 366 . 1 1 37 37 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 5679 1 367 . 1 1 37 37 ASP C C 13 176.3 . . 1 . . . . . . . . 5679 1 368 . 1 1 37 37 ASP CA C 13 56.1 . . 1 . . . . . . . . 5679 1 369 . 1 1 37 37 ASP CB C 13 41.4 . . 1 . . . . . . . . 5679 1 370 . 1 1 37 37 ASP N N 15 127.7 . . 1 . . . . . . . . 5679 1 371 . 1 1 38 38 CYS H H 1 9.20 . . 1 . . . . . . . . 5679 1 372 . 1 1 38 38 CYS HA H 1 5.32 . . 1 . . . . . . . . 5679 1 373 . 1 1 38 38 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 5679 1 374 . 1 1 38 38 CYS HB3 H 1 3.19 . . 2 . . . . . . . . 5679 1 375 . 1 1 38 38 CYS C C 13 176.3 . . 1 . . . . . . . . 5679 1 376 . 1 1 38 38 CYS CA C 13 56.9 . . 1 . . . . . . . . 5679 1 377 . 1 1 38 38 CYS CB C 13 45.0 . . 1 . . . . . . . . 5679 1 378 . 1 1 38 38 CYS N N 15 124.7 . . 1 . . . . . . . . 5679 1 379 . 1 1 39 39 HIS H H 1 9.57 . . 1 . . . . . . . . 5679 1 380 . 1 1 39 39 HIS HA H 1 4.90 . . 1 . . . . . . . . 5679 1 381 . 1 1 39 39 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 5679 1 382 . 1 1 39 39 HIS HB3 H 1 3.32 . . 2 . . . . . . . . 5679 1 383 . 1 1 39 39 HIS HD2 H 1 8.36 . . 1 . . . . . . . . 5679 1 384 . 1 1 39 39 HIS HE1 H 1 7.39 . . 1 . . . . . . . . 5679 1 385 . 1 1 39 39 HIS CA C 13 54.9 . . 1 . . . . . . . . 5679 1 386 . 1 1 39 39 HIS CB C 13 30.9 . . 1 . . . . . . . . 5679 1 387 . 1 1 39 39 HIS N N 15 123.8 . . 1 . . . . . . . . 5679 1 388 . 1 1 40 40 SER HA H 1 4.32 . . 1 . . . . . . . . 5679 1 389 . 1 1 40 40 SER HB2 H 1 3.93 . . 1 . . . . . . . . 5679 1 390 . 1 1 40 40 SER HB3 H 1 3.93 . . 1 . . . . . . . . 5679 1 391 . 1 1 40 40 SER C C 13 174.4 . . 1 . . . . . . . . 5679 1 392 . 1 1 40 40 SER CA C 13 58.4 . . 1 . . . . . . . . 5679 1 393 . 1 1 40 40 SER CB C 13 62.2 . . 1 . . . . . . . . 5679 1 394 . 1 1 41 41 ALA H H 1 7.92 . . 1 . . . . . . . . 5679 1 395 . 1 1 41 41 ALA HA H 1 4.62 . . 1 . . . . . . . . 5679 1 396 . 1 1 41 41 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 5679 1 397 . 1 1 41 41 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 5679 1 398 . 1 1 41 41 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 5679 1 399 . 1 1 41 41 ALA C C 13 179.5 . . 1 . . . . . . . . 5679 1 400 . 1 1 41 41 ALA CA C 13 51.2 . . 1 . . . . . . . . 5679 1 401 . 1 1 41 41 ALA CB C 13 21.2 . . 1 . . . . . . . . 5679 1 402 . 1 1 41 41 ALA N N 15 128.0 . . 1 . . . . . . . . 5679 1 403 . 1 1 42 42 THR H H 1 8.66 . . 1 . . . . . . . . 5679 1 404 . 1 1 42 42 THR HA H 1 3.85 . . 1 . . . . . . . . 5679 1 405 . 1 1 42 42 THR HB H 1 4.28 . . 1 . . . . . . . . 5679 1 406 . 1 1 42 42 THR HG21 H 1 1.37 . . 1 . . . . . . . . 5679 1 407 . 1 1 42 42 THR HG22 H 1 1.37 . . 1 . . . . . . . . 5679 1 408 . 1 1 42 42 THR HG23 H 1 1.37 . . 1 . . . . . . . . 5679 1 409 . 1 1 42 42 THR C C 13 173.5 . . 1 . . . . . . . . 5679 1 410 . 1 1 42 42 THR CA C 13 65.0 . . 1 . . . . . . . . 5679 1 411 . 1 1 42 42 THR CB C 13 68.5 . . 1 . . . . . . . . 5679 1 412 . 1 1 42 42 THR CG2 C 13 22.0 . . 1 . . . . . . . . 5679 1 413 . 1 1 42 42 THR N N 15 114.9 . . 1 . . . . . . . . 5679 1 414 . 1 1 43 43 ASN H H 1 8.62 . . 1 . . . . . . . . 5679 1 415 . 1 1 43 43 ASN HA H 1 4.03 . . 1 . . . . . . . . 5679 1 416 . 1 1 43 43 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 5679 1 417 . 1 1 43 43 ASN HB3 H 1 3.31 . . 2 . . . . . . . . 5679 1 418 . 1 1 43 43 ASN HD21 H 1 7.04 . . 2 . . . . . . . . 5679 1 419 . 1 1 43 43 ASN HD22 H 1 8.21 . . 2 . . . . . . . . 5679 1 420 . 1 1 43 43 ASN C C 13 172.8 . . 1 . . . . . . . . 5679 1 421 . 1 1 43 43 ASN CA C 13 54.3 . . 1 . . . . . . . . 5679 1 422 . 1 1 43 43 ASN CB C 13 36.7 . . 1 . . . . . . . . 5679 1 423 . 1 1 43 43 ASN CG C 13 177.8 . . 1 . . . . . . . . 5679 1 424 . 1 1 43 43 ASN N N 15 117.2 . . 1 . . . . . . . . 5679 1 425 . 1 1 43 43 ASN ND2 N 15 120.3 . . 1 . . . . . . . . 5679 1 426 . 1 1 44 44 GLN H H 1 7.28 . . 1 . . . . . . . . 5679 1 427 . 1 1 44 44 GLN HA H 1 4.89 . . 1 . . . . . . . . 5679 1 428 . 1 1 44 44 GLN HB2 H 1 1.81 . . 2 . . . . . . . . 5679 1 429 . 1 1 44 44 GLN HB3 H 1 2.83 . . 2 . . . . . . . . 5679 1 430 . 1 1 44 44 GLN HG2 H 1 2.37 . . 2 . . . . . . . . 5679 1 431 . 1 1 44 44 GLN HG3 H 1 2.66 . . 2 . . . . . . . . 5679 1 432 . 1 1 44 44 GLN HE21 H 1 7.26 . . 2 . . . . . . . . 5679 1 433 . 1 1 44 44 GLN HE22 H 1 9.14 . . 2 . . . . . . . . 5679 1 434 . 1 1 44 44 GLN C C 13 175.8 . . 1 . . . . . . . . 5679 1 435 . 1 1 44 44 GLN CA C 13 54.3 . . 1 . . . . . . . . 5679 1 436 . 1 1 44 44 GLN CB C 13 30.6 . . 1 . . . . . . . . 5679 1 437 . 1 1 44 44 GLN CG C 13 33.5 . . 1 . . . . . . . . 5679 1 438 . 1 1 44 44 GLN CD C 13 179.6 . . 1 . . . . . . . . 5679 1 439 . 1 1 44 44 GLN N N 15 115.9 . . 1 . . . . . . . . 5679 1 440 . 1 1 44 44 GLN NE2 N 15 110.6 . . 1 . . . . . . . . 5679 1 441 . 1 1 45 45 GLN H H 1 6.76 . . 1 . . . . . . . . 5679 1 442 . 1 1 45 45 GLN HA H 1 4.27 . . 1 . . . . . . . . 5679 1 443 . 1 1 45 45 GLN HB2 H 1 1.69 . . 2 . . . . . . . . 5679 1 444 . 1 1 45 45 GLN HB3 H 1 1.86 . . 2 . . . . . . . . 5679 1 445 . 1 1 45 45 GLN HG2 H 1 2.16 . . 2 . . . . . . . . 5679 1 446 . 1 1 45 45 GLN HG3 H 1 2.27 . . 2 . . . . . . . . 5679 1 447 . 1 1 45 45 GLN HE21 H 1 6.53 . . 2 . . . . . . . . 5679 1 448 . 1 1 45 45 GLN HE22 H 1 7.11 . . 2 . . . . . . . . 5679 1 449 . 1 1 45 45 GLN C C 13 174.4 . . 1 . . . . . . . . 5679 1 450 . 1 1 45 45 GLN CA C 13 54.0 . . 1 . . . . . . . . 5679 1 451 . 1 1 45 45 GLN CB C 13 28.4 . . 1 . . . . . . . . 5679 1 452 . 1 1 45 45 GLN CG C 13 32.5 . . 1 . . . . . . . . 5679 1 453 . 1 1 45 45 GLN CD C 13 180.1 . . 1 . . . . . . . . 5679 1 454 . 1 1 45 45 GLN N N 15 120.6 . . 1 . . . . . . . . 5679 1 455 . 1 1 45 45 GLN NE2 N 15 111.4 . . 1 . . . . . . . . 5679 1 456 . 1 1 46 46 TRP H H 1 9.13 . . 1 . . . . . . . . 5679 1 457 . 1 1 46 46 TRP HA H 1 5.20 . . 1 . . . . . . . . 5679 1 458 . 1 1 46 46 TRP HB2 H 1 2.81 . . 1 . . . . . . . . 5679 1 459 . 1 1 46 46 TRP HB3 H 1 2.81 . . 1 . . . . . . . . 5679 1 460 . 1 1 46 46 TRP HD1 H 1 7.20 . . 1 . . . . . . . . 5679 1 461 . 1 1 46 46 TRP HE1 H 1 8.74 . . 1 . . . . . . . . 5679 1 462 . 1 1 46 46 TRP HE3 H 1 6.83 . . 1 . . . . . . . . 5679 1 463 . 1 1 46 46 TRP HZ2 H 1 6.58 . . 1 . . . . . . . . 5679 1 464 . 1 1 46 46 TRP HZ3 H 1 6.51 . . 1 . . . . . . . . 5679 1 465 . 1 1 46 46 TRP HH2 H 1 6.39 . . 1 . . . . . . . . 5679 1 466 . 1 1 46 46 TRP C C 13 177.6 . . 1 . . . . . . . . 5679 1 467 . 1 1 46 46 TRP CA C 13 54.9 . . 1 . . . . . . . . 5679 1 468 . 1 1 46 46 TRP CB C 13 31.1 . . 1 . . . . . . . . 5679 1 469 . 1 1 46 46 TRP CD1 C 13 127.6 . . 1 . . . . . . . . 5679 1 470 . 1 1 46 46 TRP CZ2 C 13 112.4 . . 1 . . . . . . . . 5679 1 471 . 1 1 46 46 TRP CZ3 C 13 121.8 . . 1 . . . . . . . . 5679 1 472 . 1 1 46 46 TRP CH2 C 13 123.5 . . 1 . . . . . . . . 5679 1 473 . 1 1 46 46 TRP N N 15 128.5 . . 1 . . . . . . . . 5679 1 474 . 1 1 46 46 TRP NE1 N 15 126.1 . . 1 . . . . . . . . 5679 1 475 . 1 1 47 47 THR H H 1 9.82 . . 1 . . . . . . . . 5679 1 476 . 1 1 47 47 THR HA H 1 4.59 . . 1 . . . . . . . . 5679 1 477 . 1 1 47 47 THR HB H 1 3.88 . . 1 . . . . . . . . 5679 1 478 . 1 1 47 47 THR HG21 H 1 1.11 . . 1 . . . . . . . . 5679 1 479 . 1 1 47 47 THR HG22 H 1 1.11 . . 1 . . . . . . . . 5679 1 480 . 1 1 47 47 THR HG23 H 1 1.11 . . 1 . . . . . . . . 5679 1 481 . 1 1 47 47 THR C C 13 173.4 . . 1 . . . . . . . . 5679 1 482 . 1 1 47 47 THR CA C 13 61.7 . . 1 . . . . . . . . 5679 1 483 . 1 1 47 47 THR CB C 13 70.8 . . 1 . . . . . . . . 5679 1 484 . 1 1 47 47 THR CG2 C 13 20.8 . . 1 . . . . . . . . 5679 1 485 . 1 1 47 47 THR N N 15 123.5 . . 1 . . . . . . . . 5679 1 486 . 1 1 48 48 TYR H H 1 8.87 . . 1 . . . . . . . . 5679 1 487 . 1 1 48 48 TYR HA H 1 6.20 . . 1 . . . . . . . . 5679 1 488 . 1 1 48 48 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 5679 1 489 . 1 1 48 48 TYR HB3 H 1 3.09 . . 2 . . . . . . . . 5679 1 490 . 1 1 48 48 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 5679 1 491 . 1 1 48 48 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 5679 1 492 . 1 1 48 48 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 5679 1 493 . 1 1 48 48 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 5679 1 494 . 1 1 48 48 TYR C C 13 177.1 . . 1 . . . . . . . . 5679 1 495 . 1 1 48 48 TYR CA C 13 54.8 . . 1 . . . . . . . . 5679 1 496 . 1 1 48 48 TYR CB C 13 38.7 . . 1 . . . . . . . . 5679 1 497 . 1 1 48 48 TYR CD1 C 13 133.2 . . 1 . . . . . . . . 5679 1 498 . 1 1 48 48 TYR CD2 C 13 133.2 . . 1 . . . . . . . . 5679 1 499 . 1 1 48 48 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 5679 1 500 . 1 1 48 48 TYR CE2 C 13 117.7 . . 1 . . . . . . . . 5679 1 501 . 1 1 48 48 TYR N N 15 130.4 . . 1 . . . . . . . . 5679 1 502 . 1 1 49 49 THR H H 1 8.82 . . 1 . . . . . . . . 5679 1 503 . 1 1 49 49 THR HA H 1 4.60 . . 1 . . . . . . . . 5679 1 504 . 1 1 49 49 THR HB H 1 4.77 . . 1 . . . . . . . . 5679 1 505 . 1 1 49 49 THR HG21 H 1 1.29 . . 1 . . . . . . . . 5679 1 506 . 1 1 49 49 THR HG22 H 1 1.29 . . 1 . . . . . . . . 5679 1 507 . 1 1 49 49 THR HG23 H 1 1.29 . . 1 . . . . . . . . 5679 1 508 . 1 1 49 49 THR C C 13 176.6 . . 1 . . . . . . . . 5679 1 509 . 1 1 49 49 THR CA C 13 59.6 . . 1 . . . . . . . . 5679 1 510 . 1 1 49 49 THR CB C 13 71.8 . . 1 . . . . . . . . 5679 1 511 . 1 1 49 49 THR CG2 C 13 21.2 . . 1 . . . . . . . . 5679 1 512 . 1 1 49 49 THR N N 15 120.4 . . 1 . . . . . . . . 5679 1 513 . 1 1 50 50 ASP H H 1 8.81 . . 1 . . . . . . . . 5679 1 514 . 1 1 50 50 ASP HA H 1 4.33 . . 1 . . . . . . . . 5679 1 515 . 1 1 50 50 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 5679 1 516 . 1 1 50 50 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 5679 1 517 . 1 1 50 50 ASP C C 13 177.2 . . 1 . . . . . . . . 5679 1 518 . 1 1 50 50 ASP CA C 13 56.1 . . 1 . . . . . . . . 5679 1 519 . 1 1 50 50 ASP CB C 13 39.8 . . 1 . . . . . . . . 5679 1 520 . 1 1 50 50 ASP N N 15 122.0 . . 1 . . . . . . . . 5679 1 521 . 1 1 51 51 ALA H H 1 7.45 . . 1 . . . . . . . . 5679 1 522 . 1 1 51 51 ALA HA H 1 4.35 . . 1 . . . . . . . . 5679 1 523 . 1 1 51 51 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 5679 1 524 . 1 1 51 51 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 5679 1 525 . 1 1 51 51 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 5679 1 526 . 1 1 51 51 ALA C C 13 177.4 . . 1 . . . . . . . . 5679 1 527 . 1 1 51 51 ALA CA C 13 51.3 . . 1 . . . . . . . . 5679 1 528 . 1 1 51 51 ALA CB C 13 18.4 . . 1 . . . . . . . . 5679 1 529 . 1 1 51 51 ALA N N 15 120.8 . . 1 . . . . . . . . 5679 1 530 . 1 1 52 52 GLY H H 1 7.99 . . 1 . . . . . . . . 5679 1 531 . 1 1 52 52 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 5679 1 532 . 1 1 52 52 GLY HA3 H 1 4.22 . . 1 . . . . . . . . 5679 1 533 . 1 1 52 52 GLY C C 13 174.3 . . 1 . . . . . . . . 5679 1 534 . 1 1 52 52 GLY CA C 13 45.1 . . 1 . . . . . . . . 5679 1 535 . 1 1 52 52 GLY N N 15 108.9 . . 1 . . . . . . . . 5679 1 536 . 1 1 53 53 GLU H H 1 7.16 . . 1 . . . . . . . . 5679 1 537 . 1 1 53 53 GLU HA H 1 5.05 . . 1 . . . . . . . . 5679 1 538 . 1 1 53 53 GLU HB2 H 1 2.27 . . 2 . . . . . . . . 5679 1 539 . 1 1 53 53 GLU HB3 H 1 2.60 . . 2 . . . . . . . . 5679 1 540 . 1 1 53 53 GLU HG2 H 1 1.95 . . 2 . . . . . . . . 5679 1 541 . 1 1 53 53 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 5679 1 542 . 1 1 53 53 GLU C C 13 176.8 . . 1 . . . . . . . . 5679 1 543 . 1 1 53 53 GLU CA C 13 53.7 . . 1 . . . . . . . . 5679 1 544 . 1 1 53 53 GLU CB C 13 31.9 . . 1 . . . . . . . . 5679 1 545 . 1 1 53 53 GLU CG C 13 34.7 . . 1 . . . . . . . . 5679 1 546 . 1 1 53 53 GLU N N 15 117.8 . . 1 . . . . . . . . 5679 1 547 . 1 1 54 54 LEU H H 1 9.45 . . 1 . . . . . . . . 5679 1 548 . 1 1 54 54 LEU HA H 1 5.30 . . 1 . . . . . . . . 5679 1 549 . 1 1 54 54 LEU HB2 H 1 0.99 . . 2 . . . . . . . . 5679 1 550 . 1 1 54 54 LEU HB3 H 1 1.33 . . 2 . . . . . . . . 5679 1 551 . 1 1 54 54 LEU HG H 1 1.51 . . 1 . . . . . . . . 5679 1 552 . 1 1 54 54 LEU HD11 H 1 -0.09 . . 2 . . . . . . . . 5679 1 553 . 1 1 54 54 LEU HD12 H 1 -0.09 . . 2 . . . . . . . . 5679 1 554 . 1 1 54 54 LEU HD13 H 1 -0.09 . . 2 . . . . . . . . 5679 1 555 . 1 1 54 54 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 5679 1 556 . 1 1 54 54 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 5679 1 557 . 1 1 54 54 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 5679 1 558 . 1 1 54 54 LEU C C 13 175.8 . . 1 . . . . . . . . 5679 1 559 . 1 1 54 54 LEU CA C 13 53.5 . . 1 . . . . . . . . 5679 1 560 . 1 1 54 54 LEU CB C 13 43.6 . . 1 . . . . . . . . 5679 1 561 . 1 1 54 54 LEU CG C 13 26.3 . . 1 . . . . . . . . 5679 1 562 . 1 1 54 54 LEU CD1 C 13 23.9 . . 1 . . . . . . . . 5679 1 563 . 1 1 54 54 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 5679 1 564 . 1 1 54 54 LEU N N 15 123.6 . . 1 . . . . . . . . 5679 1 565 . 1 1 55 55 ARG H H 1 9.37 . . 1 . . . . . . . . 5679 1 566 . 1 1 55 55 ARG HA H 1 5.72 . . 1 . . . . . . . . 5679 1 567 . 1 1 55 55 ARG HB2 H 1 1.50 . . 2 . . . . . . . . 5679 1 568 . 1 1 55 55 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 5679 1 569 . 1 1 55 55 ARG HG2 H 1 1.64 . . 2 . . . . . . . . 5679 1 570 . 1 1 55 55 ARG HG3 H 1 1.88 . . 2 . . . . . . . . 5679 1 571 . 1 1 55 55 ARG HD2 H 1 2.96 . . 2 . . . . . . . . 5679 1 572 . 1 1 55 55 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 5679 1 573 . 1 1 55 55 ARG HE H 1 6.69 . . 1 . . . . . . . . 5679 1 574 . 1 1 55 55 ARG C C 13 176.0 . . 1 . . . . . . . . 5679 1 575 . 1 1 55 55 ARG CA C 13 55.1 . . 1 . . . . . . . . 5679 1 576 . 1 1 55 55 ARG CB C 13 34.3 . . 1 . . . . . . . . 5679 1 577 . 1 1 55 55 ARG CG C 13 29.3 . . 1 . . . . . . . . 5679 1 578 . 1 1 55 55 ARG CD C 13 44.2 . . 1 . . . . . . . . 5679 1 579 . 1 1 55 55 ARG CZ C 13 159.9 . . 1 . . . . . . . . 5679 1 580 . 1 1 55 55 ARG N N 15 122.6 . . 1 . . . . . . . . 5679 1 581 . 1 1 55 55 ARG NE N 15 87.4 . . 1 . . . . . . . . 5679 1 582 . 1 1 56 56 VAL H H 1 8.74 . . 1 . . . . . . . . 5679 1 583 . 1 1 56 56 VAL HA H 1 4.04 . . 1 . . . . . . . . 5679 1 584 . 1 1 56 56 VAL HB H 1 0.03 . . 1 . . . . . . . . 5679 1 585 . 1 1 56 56 VAL HG11 H 1 -0.59 . . 1 . . . . . . . . 5679 1 586 . 1 1 56 56 VAL HG12 H 1 -0.59 . . 1 . . . . . . . . 5679 1 587 . 1 1 56 56 VAL HG13 H 1 -0.59 . . 1 . . . . . . . . 5679 1 588 . 1 1 56 56 VAL HG21 H 1 -0.59 . . 1 . . . . . . . . 5679 1 589 . 1 1 56 56 VAL HG22 H 1 -0.59 . . 1 . . . . . . . . 5679 1 590 . 1 1 56 56 VAL HG23 H 1 -0.59 . . 1 . . . . . . . . 5679 1 591 . 1 1 56 56 VAL C C 13 173.6 . . 1 . . . . . . . . 5679 1 592 . 1 1 56 56 VAL CA C 13 58.9 . . 1 . . . . . . . . 5679 1 593 . 1 1 56 56 VAL CB C 13 33.5 . . 1 . . . . . . . . 5679 1 594 . 1 1 56 56 VAL CG1 C 13 18.7 . . 1 . . . . . . . . 5679 1 595 . 1 1 56 56 VAL CG2 C 13 18.7 . . 1 . . . . . . . . 5679 1 596 . 1 1 56 56 VAL N N 15 123.2 . . 1 . . . . . . . . 5679 1 597 . 1 1 57 57 TYR H H 1 8.63 . . 1 . . . . . . . . 5679 1 598 . 1 1 57 57 TYR HA H 1 4.17 . . 1 . . . . . . . . 5679 1 599 . 1 1 57 57 TYR HB2 H 1 3.29 . . 2 . . . . . . . . 5679 1 600 . 1 1 57 57 TYR HB3 H 1 3.42 . . 2 . . . . . . . . 5679 1 601 . 1 1 57 57 TYR HD1 H 1 6.73 . . 1 . . . . . . . . 5679 1 602 . 1 1 57 57 TYR HD2 H 1 6.73 . . 1 . . . . . . . . 5679 1 603 . 1 1 57 57 TYR HE1 H 1 6.51 . . 1 . . . . . . . . 5679 1 604 . 1 1 57 57 TYR HE2 H 1 6.51 . . 1 . . . . . . . . 5679 1 605 . 1 1 57 57 TYR C C 13 177.0 . . 1 . . . . . . . . 5679 1 606 . 1 1 57 57 TYR CA C 13 57.4 . . 1 . . . . . . . . 5679 1 607 . 1 1 57 57 TYR CB C 13 37.0 . . 1 . . . . . . . . 5679 1 608 . 1 1 57 57 TYR CD1 C 13 132.7 . . 1 . . . . . . . . 5679 1 609 . 1 1 57 57 TYR CD2 C 13 132.7 . . 1 . . . . . . . . 5679 1 610 . 1 1 57 57 TYR CE1 C 13 118.5 . . 1 . . . . . . . . 5679 1 611 . 1 1 57 57 TYR CE2 C 13 118.5 . . 1 . . . . . . . . 5679 1 612 . 1 1 57 57 TYR N N 15 118.9 . . 1 . . . . . . . . 5679 1 613 . 1 1 58 58 GLY H H 1 8.54 . . 1 . . . . . . . . 5679 1 614 . 1 1 58 58 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 5679 1 615 . 1 1 58 58 GLY HA3 H 1 4.52 . . 2 . . . . . . . . 5679 1 616 . 1 1 58 58 GLY C C 13 176.1 . . 1 . . . . . . . . 5679 1 617 . 1 1 58 58 GLY CA C 13 46.3 . . 1 . . . . . . . . 5679 1 618 . 1 1 58 58 GLY N N 15 111.0 . . 1 . . . . . . . . 5679 1 619 . 1 1 59 59 ASP H H 1 8.10 . . 1 . . . . . . . . 5679 1 620 . 1 1 59 59 ASP HA H 1 4.69 . . 1 . . . . . . . . 5679 1 621 . 1 1 59 59 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 5679 1 622 . 1 1 59 59 ASP HB3 H 1 2.99 . . 2 . . . . . . . . 5679 1 623 . 1 1 59 59 ASP C C 13 176.4 . . 1 . . . . . . . . 5679 1 624 . 1 1 59 59 ASP CA C 13 53.5 . . 1 . . . . . . . . 5679 1 625 . 1 1 59 59 ASP CB C 13 41.2 . . 1 . . . . . . . . 5679 1 626 . 1 1 59 59 ASP N N 15 120.0 . . 1 . . . . . . . . 5679 1 627 . 1 1 60 60 LYS H H 1 8.15 . . 1 . . . . . . . . 5679 1 628 . 1 1 60 60 LYS HA H 1 5.02 . . 1 . . . . . . . . 5679 1 629 . 1 1 60 60 LYS HB2 H 1 1.37 . . 2 . . . . . . . . 5679 1 630 . 1 1 60 60 LYS HB3 H 1 2.48 . . 2 . . . . . . . . 5679 1 631 . 1 1 60 60 LYS HG2 H 1 1.69 . . 2 . . . . . . . . 5679 1 632 . 1 1 60 60 LYS HG3 H 1 1.81 . . 2 . . . . . . . . 5679 1 633 . 1 1 60 60 LYS HD2 H 1 1.31 . . 1 . . . . . . . . 5679 1 634 . 1 1 60 60 LYS HD3 H 1 1.31 . . 1 . . . . . . . . 5679 1 635 . 1 1 60 60 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 5679 1 636 . 1 1 60 60 LYS HE3 H 1 3.08 . . 2 . . . . . . . . 5679 1 637 . 1 1 60 60 LYS C C 13 175.7 . . 1 . . . . . . . . 5679 1 638 . 1 1 60 60 LYS CA C 13 53.4 . . 1 . . . . . . . . 5679 1 639 . 1 1 60 60 LYS CB C 13 33.0 . . 1 . . . . . . . . 5679 1 640 . 1 1 60 60 LYS CG C 13 24.6 . . 1 . . . . . . . . 5679 1 641 . 1 1 60 60 LYS CD C 13 28.4 . . 1 . . . . . . . . 5679 1 642 . 1 1 60 60 LYS CE C 13 42.3 . . 1 . . . . . . . . 5679 1 643 . 1 1 60 60 LYS N N 15 119.2 . . 1 . . . . . . . . 5679 1 644 . 1 1 61 61 CYS H H 1 9.13 . . 1 . . . . . . . . 5679 1 645 . 1 1 61 61 CYS HA H 1 5.45 . . 1 . . . . . . . . 5679 1 646 . 1 1 61 61 CYS HB2 H 1 3.10 . . 2 . . . . . . . . 5679 1 647 . 1 1 61 61 CYS HB3 H 1 3.24 . . 2 . . . . . . . . 5679 1 648 . 1 1 61 61 CYS C C 13 175.0 . . 1 . . . . . . . . 5679 1 649 . 1 1 61 61 CYS CA C 13 59.3 . . 1 . . . . . . . . 5679 1 650 . 1 1 61 61 CYS CB C 13 41.8 . . 1 . . . . . . . . 5679 1 651 . 1 1 61 61 CYS N N 15 120.6 . . 1 . . . . . . . . 5679 1 652 . 1 1 62 62 LEU H H 1 9.31 . . 1 . . . . . . . . 5679 1 653 . 1 1 62 62 LEU HA H 1 4.61 . . 1 . . . . . . . . 5679 1 654 . 1 1 62 62 LEU HB2 H 1 1.28 . . 2 . . . . . . . . 5679 1 655 . 1 1 62 62 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 5679 1 656 . 1 1 62 62 LEU HG H 1 0.93 . . 1 . . . . . . . . 5679 1 657 . 1 1 62 62 LEU HD11 H 1 -0.98 . . 2 . . . . . . . . 5679 1 658 . 1 1 62 62 LEU HD12 H 1 -0.98 . . 2 . . . . . . . . 5679 1 659 . 1 1 62 62 LEU HD13 H 1 -0.98 . . 2 . . . . . . . . 5679 1 660 . 1 1 62 62 LEU HD21 H 1 0.29 . . 2 . . . . . . . . 5679 1 661 . 1 1 62 62 LEU HD22 H 1 0.29 . . 2 . . . . . . . . 5679 1 662 . 1 1 62 62 LEU HD23 H 1 0.29 . . 2 . . . . . . . . 5679 1 663 . 1 1 62 62 LEU C C 13 179.1 . . 1 . . . . . . . . 5679 1 664 . 1 1 62 62 LEU CA C 13 56.2 . . 1 . . . . . . . . 5679 1 665 . 1 1 62 62 LEU CB C 13 41.7 . . 1 . . . . . . . . 5679 1 666 . 1 1 62 62 LEU CG C 13 26.3 . . 1 . . . . . . . . 5679 1 667 . 1 1 62 62 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 5679 1 668 . 1 1 62 62 LEU CD2 C 13 24.5 . . 1 . . . . . . . . 5679 1 669 . 1 1 62 62 LEU N N 15 125.4 . . 1 . . . . . . . . 5679 1 670 . 1 1 63 63 ASP H H 1 9.87 . . 1 . . . . . . . . 5679 1 671 . 1 1 63 63 ASP HA H 1 5.30 . . 1 . . . . . . . . 5679 1 672 . 1 1 63 63 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 5679 1 673 . 1 1 63 63 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 5679 1 674 . 1 1 63 63 ASP C C 13 173.7 . . 1 . . . . . . . . 5679 1 675 . 1 1 63 63 ASP CA C 13 54.5 . . 1 . . . . . . . . 5679 1 676 . 1 1 63 63 ASP CB C 13 47.3 . . 1 . . . . . . . . 5679 1 677 . 1 1 63 63 ASP N N 15 135.3 . . 1 . . . . . . . . 5679 1 678 . 1 1 64 64 ALA H H 1 8.42 . . 1 . . . . . . . . 5679 1 679 . 1 1 64 64 ALA HA H 1 4.97 . . 1 . . . . . . . . 5679 1 680 . 1 1 64 64 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 5679 1 681 . 1 1 64 64 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 5679 1 682 . 1 1 64 64 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 5679 1 683 . 1 1 64 64 ALA C C 13 177.0 . . 1 . . . . . . . . 5679 1 684 . 1 1 64 64 ALA CA C 13 50.6 . . 1 . . . . . . . . 5679 1 685 . 1 1 64 64 ALA CB C 13 20.6 . . 1 . . . . . . . . 5679 1 686 . 1 1 64 64 ALA N N 15 129.0 . . 1 . . . . . . . . 5679 1 687 . 1 1 65 65 ALA H H 1 8.05 . . 1 . . . . . . . . 5679 1 688 . 1 1 65 65 ALA HA H 1 4.70 . . 1 . . . . . . . . 5679 1 689 . 1 1 65 65 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5679 1 690 . 1 1 65 65 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5679 1 691 . 1 1 65 65 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5679 1 692 . 1 1 65 65 ALA C C 13 177.0 . . 1 . . . . . . . . 5679 1 693 . 1 1 65 65 ALA CA C 13 51.3 . . 1 . . . . . . . . 5679 1 694 . 1 1 65 65 ALA CB C 13 17.4 . . 1 . . . . . . . . 5679 1 695 . 1 1 65 65 ALA N N 15 130.3 . . 1 . . . . . . . . 5679 1 696 . 1 1 66 66 GLY H H 1 7.63 . . 1 . . . . . . . . 5679 1 697 . 1 1 66 66 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 5679 1 698 . 1 1 66 66 GLY HA3 H 1 4.43 . . 2 . . . . . . . . 5679 1 699 . 1 1 66 66 GLY C C 13 173.5 . . 1 . . . . . . . . 5679 1 700 . 1 1 66 66 GLY CA C 13 44.1 . . 1 . . . . . . . . 5679 1 701 . 1 1 66 66 GLY N N 15 110.4 . . 1 . . . . . . . . 5679 1 702 . 1 1 67 67 THR H H 1 8.17 . . 1 . . . . . . . . 5679 1 703 . 1 1 67 67 THR HA H 1 4.33 . . 1 . . . . . . . . 5679 1 704 . 1 1 67 67 THR HB H 1 4.24 . . 1 . . . . . . . . 5679 1 705 . 1 1 67 67 THR HG21 H 1 0.93 . . 1 . . . . . . . . 5679 1 706 . 1 1 67 67 THR HG22 H 1 0.93 . . 1 . . . . . . . . 5679 1 707 . 1 1 67 67 THR HG23 H 1 0.93 . . 1 . . . . . . . . 5679 1 708 . 1 1 67 67 THR C C 13 174.3 . . 1 . . . . . . . . 5679 1 709 . 1 1 67 67 THR CA C 13 60.3 . . 1 . . . . . . . . 5679 1 710 . 1 1 67 67 THR CB C 13 69.8 . . 1 . . . . . . . . 5679 1 711 . 1 1 67 67 THR CG2 C 13 20.6 . . 1 . . . . . . . . 5679 1 712 . 1 1 67 67 THR N N 15 107.8 . . 1 . . . . . . . . 5679 1 713 . 1 1 68 68 GLY H H 1 7.34 . . 1 . . . . . . . . 5679 1 714 . 1 1 68 68 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 5679 1 715 . 1 1 68 68 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 5679 1 716 . 1 1 68 68 GLY C C 13 175.2 . . 1 . . . . . . . . 5679 1 717 . 1 1 68 68 GLY CA C 13 43.4 . . 1 . . . . . . . . 5679 1 718 . 1 1 68 68 GLY N N 15 107.5 . . 1 . . . . . . . . 5679 1 719 . 1 1 69 69 ASN H H 1 8.66 . . 1 . . . . . . . . 5679 1 720 . 1 1 69 69 ASN HA H 1 4.26 . . 1 . . . . . . . . 5679 1 721 . 1 1 69 69 ASN HB2 H 1 2.43 . . 2 . . . . . . . . 5679 1 722 . 1 1 69 69 ASN HB3 H 1 2.58 . . 2 . . . . . . . . 5679 1 723 . 1 1 69 69 ASN HD21 H 1 6.13 . . 2 . . . . . . . . 5679 1 724 . 1 1 69 69 ASN HD22 H 1 7.12 . . 2 . . . . . . . . 5679 1 725 . 1 1 69 69 ASN C C 13 178.3 . . 1 . . . . . . . . 5679 1 726 . 1 1 69 69 ASN CA C 13 54.1 . . 1 . . . . . . . . 5679 1 727 . 1 1 69 69 ASN CB C 13 37.5 . . 1 . . . . . . . . 5679 1 728 . 1 1 69 69 ASN CG C 13 174.3 . . 1 . . . . . . . . 5679 1 729 . 1 1 69 69 ASN N N 15 121.4 . . 1 . . . . . . . . 5679 1 730 . 1 1 69 69 ASN ND2 N 15 109.7 . . 1 . . . . . . . . 5679 1 731 . 1 1 70 70 GLY H H 1 9.29 . . 1 . . . . . . . . 5679 1 732 . 1 1 70 70 GLY HA2 H 1 4.35 . . 1 . . . . . . . . 5679 1 733 . 1 1 70 70 GLY HA3 H 1 4.35 . . 1 . . . . . . . . 5679 1 734 . 1 1 70 70 GLY C C 13 175.3 . . 1 . . . . . . . . 5679 1 735 . 1 1 70 70 GLY CA C 13 44.5 . . 1 . . . . . . . . 5679 1 736 . 1 1 70 70 GLY N N 15 112.5 . . 1 . . . . . . . . 5679 1 737 . 1 1 71 71 THR H H 1 7.55 . . 1 . . . . . . . . 5679 1 738 . 1 1 71 71 THR HA H 1 3.94 . . 1 . . . . . . . . 5679 1 739 . 1 1 71 71 THR HB H 1 3.83 . . 1 . . . . . . . . 5679 1 740 . 1 1 71 71 THR HG21 H 1 1.14 . . 1 . . . . . . . . 5679 1 741 . 1 1 71 71 THR HG22 H 1 1.14 . . 1 . . . . . . . . 5679 1 742 . 1 1 71 71 THR HG23 H 1 1.14 . . 1 . . . . . . . . 5679 1 743 . 1 1 71 71 THR C C 13 173.9 . . 1 . . . . . . . . 5679 1 744 . 1 1 71 71 THR CA C 13 64.4 . . 1 . . . . . . . . 5679 1 745 . 1 1 71 71 THR CB C 13 69.8 . . 1 . . . . . . . . 5679 1 746 . 1 1 71 71 THR CG2 C 13 21.6 . . 1 . . . . . . . . 5679 1 747 . 1 1 71 71 THR N N 15 119.7 . . 1 . . . . . . . . 5679 1 748 . 1 1 72 72 LYS H H 1 8.59 . . 1 . . . . . . . . 5679 1 749 . 1 1 72 72 LYS HA H 1 4.21 . . 1 . . . . . . . . 5679 1 750 . 1 1 72 72 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 5679 1 751 . 1 1 72 72 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 5679 1 752 . 1 1 72 72 LYS HG2 H 1 1.40 . . 2 . . . . . . . . 5679 1 753 . 1 1 72 72 LYS HG3 H 1 1.53 . . 2 . . . . . . . . 5679 1 754 . 1 1 72 72 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 5679 1 755 . 1 1 72 72 LYS HD3 H 1 1.74 . . 1 . . . . . . . . 5679 1 756 . 1 1 72 72 LYS HE2 H 1 3.06 . . 2 . . . . . . . . 5679 1 757 . 1 1 72 72 LYS HE3 H 1 3.16 . . 2 . . . . . . . . 5679 1 758 . 1 1 72 72 LYS C C 13 174.8 . . 1 . . . . . . . . 5679 1 759 . 1 1 72 72 LYS CA C 13 57.6 . . 1 . . . . . . . . 5679 1 760 . 1 1 72 72 LYS CB C 13 33.7 . . 1 . . . . . . . . 5679 1 761 . 1 1 72 72 LYS CG C 13 24.7 . . 1 . . . . . . . . 5679 1 762 . 1 1 72 72 LYS CD C 13 29.6 . . 1 . . . . . . . . 5679 1 763 . 1 1 72 72 LYS CE C 13 42.1 . . 1 . . . . . . . . 5679 1 764 . 1 1 72 72 LYS N N 15 127.6 . . 1 . . . . . . . . 5679 1 765 . 1 1 73 73 VAL H H 1 7.10 . . 1 . . . . . . . . 5679 1 766 . 1 1 73 73 VAL HA H 1 4.78 . . 1 . . . . . . . . 5679 1 767 . 1 1 73 73 VAL HB H 1 1.60 . . 1 . . . . . . . . 5679 1 768 . 1 1 73 73 VAL HG11 H 1 0.67 . . 1 . . . . . . . . 5679 1 769 . 1 1 73 73 VAL HG12 H 1 0.67 . . 1 . . . . . . . . 5679 1 770 . 1 1 73 73 VAL HG13 H 1 0.67 . . 1 . . . . . . . . 5679 1 771 . 1 1 73 73 VAL HG21 H 1 0.84 . . 1 . . . . . . . . 5679 1 772 . 1 1 73 73 VAL HG22 H 1 0.84 . . 1 . . . . . . . . 5679 1 773 . 1 1 73 73 VAL HG23 H 1 0.84 . . 1 . . . . . . . . 5679 1 774 . 1 1 73 73 VAL C C 13 174.6 . . 1 . . . . . . . . 5679 1 775 . 1 1 73 73 VAL CA C 13 62.0 . . 1 . . . . . . . . 5679 1 776 . 1 1 73 73 VAL CB C 13 31.4 . . 1 . . . . . . . . 5679 1 777 . 1 1 73 73 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 5679 1 778 . 1 1 73 73 VAL CG2 C 13 21.5 . . 1 . . . . . . . . 5679 1 779 . 1 1 73 73 VAL N N 15 124.1 . . 1 . . . . . . . . 5679 1 780 . 1 1 74 74 GLN H H 1 9.49 . . 1 . . . . . . . . 5679 1 781 . 1 1 74 74 GLN HA H 1 5.72 . . 1 . . . . . . . . 5679 1 782 . 1 1 74 74 GLN HB2 H 1 1.72 . . 2 . . . . . . . . 5679 1 783 . 1 1 74 74 GLN HB3 H 1 1.92 . . 2 . . . . . . . . 5679 1 784 . 1 1 74 74 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 5679 1 785 . 1 1 74 74 GLN HG3 H 1 2.80 . . 2 . . . . . . . . 5679 1 786 . 1 1 74 74 GLN HE21 H 1 6.53 . . 2 . . . . . . . . 5679 1 787 . 1 1 74 74 GLN HE22 H 1 8.00 . . 2 . . . . . . . . 5679 1 788 . 1 1 74 74 GLN C C 13 175.7 . . 1 . . . . . . . . 5679 1 789 . 1 1 74 74 GLN CA C 13 52.8 . . 1 . . . . . . . . 5679 1 790 . 1 1 74 74 GLN CB C 13 33.0 . . 1 . . . . . . . . 5679 1 791 . 1 1 74 74 GLN CG C 13 31.0 . . 1 . . . . . . . . 5679 1 792 . 1 1 74 74 GLN CD C 13 180.0 . . 1 . . . . . . . . 5679 1 793 . 1 1 74 74 GLN N N 15 127.2 . . 1 . . . . . . . . 5679 1 794 . 1 1 74 74 GLN NE2 N 15 113.5 . . 1 . . . . . . . . 5679 1 795 . 1 1 75 75 ILE H H 1 7.88 . . 1 . . . . . . . . 5679 1 796 . 1 1 75 75 ILE HA H 1 5.58 . . 1 . . . . . . . . 5679 1 797 . 1 1 75 75 ILE HB H 1 1.62 . . 1 . . . . . . . . 5679 1 798 . 1 1 75 75 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 5679 1 799 . 1 1 75 75 ILE HG13 H 1 1.82 . . 2 . . . . . . . . 5679 1 800 . 1 1 75 75 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 5679 1 801 . 1 1 75 75 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 5679 1 802 . 1 1 75 75 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 5679 1 803 . 1 1 75 75 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 5679 1 804 . 1 1 75 75 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 5679 1 805 . 1 1 75 75 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 5679 1 806 . 1 1 75 75 ILE C C 13 176.6 . . 1 . . . . . . . . 5679 1 807 . 1 1 75 75 ILE CA C 13 59.5 . . 1 . . . . . . . . 5679 1 808 . 1 1 75 75 ILE CB C 13 42.2 . . 1 . . . . . . . . 5679 1 809 . 1 1 75 75 ILE CG1 C 13 26.1 . . 1 . . . . . . . . 5679 1 810 . 1 1 75 75 ILE CG2 C 13 19.9 . . 1 . . . . . . . . 5679 1 811 . 1 1 75 75 ILE CD1 C 13 15.1 . . 1 . . . . . . . . 5679 1 812 . 1 1 75 75 ILE N N 15 110.3 . . 1 . . . . . . . . 5679 1 813 . 1 1 76 76 TYR H H 1 9.05 . . 1 . . . . . . . . 5679 1 814 . 1 1 76 76 TYR HA H 1 4.46 . . 1 . . . . . . . . 5679 1 815 . 1 1 76 76 TYR HB2 H 1 2.75 . . 2 . . . . . . . . 5679 1 816 . 1 1 76 76 TYR HB3 H 1 2.98 . . 2 . . . . . . . . 5679 1 817 . 1 1 76 76 TYR HD1 H 1 7.39 . . 1 . . . . . . . . 5679 1 818 . 1 1 76 76 TYR HD2 H 1 7.39 . . 1 . . . . . . . . 5679 1 819 . 1 1 76 76 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 5679 1 820 . 1 1 76 76 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 5679 1 821 . 1 1 76 76 TYR C C 13 174.9 . . 1 . . . . . . . . 5679 1 822 . 1 1 76 76 TYR CA C 13 58.0 . . 1 . . . . . . . . 5679 1 823 . 1 1 76 76 TYR CB C 13 44.9 . . 1 . . . . . . . . 5679 1 824 . 1 1 76 76 TYR CD1 C 13 133.7 . . 1 . . . . . . . . 5679 1 825 . 1 1 76 76 TYR CD2 C 13 133.7 . . 1 . . . . . . . . 5679 1 826 . 1 1 76 76 TYR CE1 C 13 117.8 . . 1 . . . . . . . . 5679 1 827 . 1 1 76 76 TYR CE2 C 13 117.8 . . 1 . . . . . . . . 5679 1 828 . 1 1 76 76 TYR N N 15 125.7 . . 1 . . . . . . . . 5679 1 829 . 1 1 77 77 SER H H 1 7.77 . . 1 . . . . . . . . 5679 1 830 . 1 1 77 77 SER HA H 1 4.50 . . 1 . . . . . . . . 5679 1 831 . 1 1 77 77 SER HB2 H 1 3.86 . . 2 . . . . . . . . 5679 1 832 . 1 1 77 77 SER HB3 H 1 3.98 . . 2 . . . . . . . . 5679 1 833 . 1 1 77 77 SER C C 13 174.5 . . 1 . . . . . . . . 5679 1 834 . 1 1 77 77 SER CA C 13 61.1 . . 1 . . . . . . . . 5679 1 835 . 1 1 77 77 SER CB C 13 63.5 . . 1 . . . . . . . . 5679 1 836 . 1 1 77 77 SER N N 15 123.2 . . 1 . . . . . . . . 5679 1 837 . 1 1 78 78 CYS H H 1 8.30 . . 1 . . . . . . . . 5679 1 838 . 1 1 78 78 CYS HA H 1 5.11 . . 1 . . . . . . . . 5679 1 839 . 1 1 78 78 CYS HB2 H 1 2.88 . . 2 . . . . . . . . 5679 1 840 . 1 1 78 78 CYS HB3 H 1 3.11 . . 2 . . . . . . . . 5679 1 841 . 1 1 78 78 CYS C C 13 176.8 . . 1 . . . . . . . . 5679 1 842 . 1 1 78 78 CYS CA C 13 56.1 . . 1 . . . . . . . . 5679 1 843 . 1 1 78 78 CYS CB C 13 43.5 . . 1 . . . . . . . . 5679 1 844 . 1 1 78 78 CYS N N 15 125.6 . . 1 . . . . . . . . 5679 1 845 . 1 1 79 79 TRP H H 1 9.22 . . 1 . . . . . . . . 5679 1 846 . 1 1 79 79 TRP HA H 1 5.10 . . 1 . . . . . . . . 5679 1 847 . 1 1 79 79 TRP HB2 H 1 3.12 . . 2 . . . . . . . . 5679 1 848 . 1 1 79 79 TRP HB3 H 1 3.72 . . 2 . . . . . . . . 5679 1 849 . 1 1 79 79 TRP HD1 H 1 7.70 . . 1 . . . . . . . . 5679 1 850 . 1 1 79 79 TRP HE1 H 1 10.95 . . 1 . . . . . . . . 5679 1 851 . 1 1 79 79 TRP HE3 H 1 7.59 . . 1 . . . . . . . . 5679 1 852 . 1 1 79 79 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 5679 1 853 . 1 1 79 79 TRP HZ3 H 1 7.07 . . 1 . . . . . . . . 5679 1 854 . 1 1 79 79 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 5679 1 855 . 1 1 79 79 TRP C C 13 177.0 . . 1 . . . . . . . . 5679 1 856 . 1 1 79 79 TRP CA C 13 55.9 . . 1 . . . . . . . . 5679 1 857 . 1 1 79 79 TRP CB C 13 30.3 . . 1 . . . . . . . . 5679 1 858 . 1 1 79 79 TRP CD1 C 13 128.3 . . 1 . . . . . . . . 5679 1 859 . 1 1 79 79 TRP CZ2 C 13 114.9 . . 1 . . . . . . . . 5679 1 860 . 1 1 79 79 TRP N N 15 123.5 . . 1 . . . . . . . . 5679 1 861 . 1 1 79 79 TRP NE1 N 15 133.0 . . 1 . . . . . . . . 5679 1 862 . 1 1 80 80 GLY H H 1 8.86 . . 1 . . . . . . . . 5679 1 863 . 1 1 80 80 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 5679 1 864 . 1 1 80 80 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 5679 1 865 . 1 1 80 80 GLY C C 13 175.2 . . 1 . . . . . . . . 5679 1 866 . 1 1 80 80 GLY CA C 13 45.1 . . 1 . . . . . . . . 5679 1 867 . 1 1 80 80 GLY N N 15 112.8 . . 1 . . . . . . . . 5679 1 868 . 1 1 81 81 GLY H H 1 5.54 . . 1 . . . . . . . . 5679 1 869 . 1 1 81 81 GLY HA2 H 1 2.66 . . 2 . . . . . . . . 5679 1 870 . 1 1 81 81 GLY HA3 H 1 3.42 . . 2 . . . . . . . . 5679 1 871 . 1 1 81 81 GLY C C 13 176.5 . . 1 . . . . . . . . 5679 1 872 . 1 1 81 81 GLY CA C 13 44.6 . . 1 . . . . . . . . 5679 1 873 . 1 1 81 81 GLY N N 15 104.8 . . 1 . . . . . . . . 5679 1 874 . 1 1 82 82 ASP H H 1 9.02 . . 1 . . . . . . . . 5679 1 875 . 1 1 82 82 ASP HA H 1 4.12 . . 1 . . . . . . . . 5679 1 876 . 1 1 82 82 ASP HB2 H 1 2.39 . . 1 . . . . . . . . 5679 1 877 . 1 1 82 82 ASP HB3 H 1 2.39 . . 1 . . . . . . . . 5679 1 878 . 1 1 82 82 ASP C C 13 177.3 . . 1 . . . . . . . . 5679 1 879 . 1 1 82 82 ASP CA C 13 57.1 . . 1 . . . . . . . . 5679 1 880 . 1 1 82 82 ASP CB C 13 39.5 . . 1 . . . . . . . . 5679 1 881 . 1 1 82 82 ASP N N 15 124.7 . . 1 . . . . . . . . 5679 1 882 . 1 1 83 83 ASN H H 1 8.65 . . 1 . . . . . . . . 5679 1 883 . 1 1 83 83 ASN HA H 1 4.30 . . 1 . . . . . . . . 5679 1 884 . 1 1 83 83 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 5679 1 885 . 1 1 83 83 ASN HB3 H 1 3.53 . . 2 . . . . . . . . 5679 1 886 . 1 1 83 83 ASN HD21 H 1 6.82 . . 2 . . . . . . . . 5679 1 887 . 1 1 83 83 ASN HD22 H 1 7.53 . . 2 . . . . . . . . 5679 1 888 . 1 1 83 83 ASN C C 13 174.6 . . 1 . . . . . . . . 5679 1 889 . 1 1 83 83 ASN CA C 13 54.9 . . 1 . . . . . . . . 5679 1 890 . 1 1 83 83 ASN CB C 13 35.9 . . 1 . . . . . . . . 5679 1 891 . 1 1 83 83 ASN CG C 13 178.4 . . 1 . . . . . . . . 5679 1 892 . 1 1 83 83 ASN N N 15 117.8 . . 1 . . . . . . . . 5679 1 893 . 1 1 83 83 ASN ND2 N 15 119.4 . . 1 . . . . . . . . 5679 1 894 . 1 1 84 84 GLN H H 1 7.32 . . 1 . . . . . . . . 5679 1 895 . 1 1 84 84 GLN HA H 1 5.11 . . 1 . . . . . . . . 5679 1 896 . 1 1 84 84 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 5679 1 897 . 1 1 84 84 GLN HB3 H 1 2.25 . . 2 . . . . . . . . 5679 1 898 . 1 1 84 84 GLN HG2 H 1 2.07 . . 2 . . . . . . . . 5679 1 899 . 1 1 84 84 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 5679 1 900 . 1 1 84 84 GLN HE21 H 1 7.48 . . 2 . . . . . . . . 5679 1 901 . 1 1 84 84 GLN HE22 H 1 9.79 . . 2 . . . . . . . . 5679 1 902 . 1 1 84 84 GLN C C 13 174.6 . . 1 . . . . . . . . 5679 1 903 . 1 1 84 84 GLN CA C 13 53.2 . . 1 . . . . . . . . 5679 1 904 . 1 1 84 84 GLN CB C 13 28.7 . . 1 . . . . . . . . 5679 1 905 . 1 1 84 84 GLN CG C 13 33.1 . . 1 . . . . . . . . 5679 1 906 . 1 1 84 84 GLN CD C 13 181.5 . . 1 . . . . . . . . 5679 1 907 . 1 1 84 84 GLN N N 15 118.7 . . 1 . . . . . . . . 5679 1 908 . 1 1 84 84 GLN NE2 N 15 115.9 . . 1 . . . . . . . . 5679 1 909 . 1 1 85 85 LYS H H 1 6.59 . . 1 . . . . . . . . 5679 1 910 . 1 1 85 85 LYS HA H 1 4.92 . . 1 . . . . . . . . 5679 1 911 . 1 1 85 85 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 5679 1 912 . 1 1 85 85 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 5679 1 913 . 1 1 85 85 LYS HG2 H 1 1.31 . . 2 . . . . . . . . 5679 1 914 . 1 1 85 85 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 5679 1 915 . 1 1 85 85 LYS HD2 H 1 1.50 . . 1 . . . . . . . . 5679 1 916 . 1 1 85 85 LYS HD3 H 1 1.50 . . 1 . . . . . . . . 5679 1 917 . 1 1 85 85 LYS HE2 H 1 2.70 . . 2 . . . . . . . . 5679 1 918 . 1 1 85 85 LYS HE3 H 1 2.84 . . 2 . . . . . . . . 5679 1 919 . 1 1 85 85 LYS C C 13 176.6 . . 1 . . . . . . . . 5679 1 920 . 1 1 85 85 LYS CA C 13 54.5 . . 1 . . . . . . . . 5679 1 921 . 1 1 85 85 LYS CB C 13 34.8 . . 1 . . . . . . . . 5679 1 922 . 1 1 85 85 LYS CG C 13 24.9 . . 1 . . . . . . . . 5679 1 923 . 1 1 85 85 LYS CD C 13 28.7 . . 1 . . . . . . . . 5679 1 924 . 1 1 85 85 LYS CE C 13 42.2 . . 1 . . . . . . . . 5679 1 925 . 1 1 85 85 LYS N N 15 118.7 . . 1 . . . . . . . . 5679 1 926 . 1 1 86 86 TRP H H 1 9.64 . . 1 . . . . . . . . 5679 1 927 . 1 1 86 86 TRP HA H 1 5.32 . . 1 . . . . . . . . 5679 1 928 . 1 1 86 86 TRP HB2 H 1 2.60 . . 2 . . . . . . . . 5679 1 929 . 1 1 86 86 TRP HB3 H 1 2.91 . . 2 . . . . . . . . 5679 1 930 . 1 1 86 86 TRP HD1 H 1 7.30 . . 1 . . . . . . . . 5679 1 931 . 1 1 86 86 TRP HE1 H 1 9.05 . . 1 . . . . . . . . 5679 1 932 . 1 1 86 86 TRP HE3 H 1 7.08 . . 1 . . . . . . . . 5679 1 933 . 1 1 86 86 TRP HZ2 H 1 6.92 . . 1 . . . . . . . . 5679 1 934 . 1 1 86 86 TRP HZ3 H 1 6.60 . . 1 . . . . . . . . 5679 1 935 . 1 1 86 86 TRP HH2 H 1 6.74 . . 1 . . . . . . . . 5679 1 936 . 1 1 86 86 TRP C C 13 175.7 . . 1 . . . . . . . . 5679 1 937 . 1 1 86 86 TRP CA C 13 55.9 . . 1 . . . . . . . . 5679 1 938 . 1 1 86 86 TRP CB C 13 32.9 . . 1 . . . . . . . . 5679 1 939 . 1 1 86 86 TRP CD1 C 13 128.3 . . 1 . . . . . . . . 5679 1 940 . 1 1 86 86 TRP CZ2 C 13 112.7 . . 1 . . . . . . . . 5679 1 941 . 1 1 86 86 TRP N N 15 125.3 . . 1 . . . . . . . . 5679 1 942 . 1 1 86 86 TRP NE1 N 15 127.9 . . 1 . . . . . . . . 5679 1 943 . 1 1 87 87 ARG H H 1 9.96 . . 1 . . . . . . . . 5679 1 944 . 1 1 87 87 ARG HA H 1 4.58 . . 1 . . . . . . . . 5679 1 945 . 1 1 87 87 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 5679 1 946 . 1 1 87 87 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 5679 1 947 . 1 1 87 87 ARG HG2 H 1 1.54 . . 1 . . . . . . . . 5679 1 948 . 1 1 87 87 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 5679 1 949 . 1 1 87 87 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 5679 1 950 . 1 1 87 87 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 5679 1 951 . 1 1 87 87 ARG HE H 1 6.97 . . 1 . . . . . . . . 5679 1 952 . 1 1 87 87 ARG C C 13 174.5 . . 1 . . . . . . . . 5679 1 953 . 1 1 87 87 ARG CA C 13 54.8 . . 1 . . . . . . . . 5679 1 954 . 1 1 87 87 ARG CB C 13 32.1 . . 1 . . . . . . . . 5679 1 955 . 1 1 87 87 ARG CG C 13 27.4 . . 1 . . . . . . . . 5679 1 956 . 1 1 87 87 ARG CD C 13 43.1 . . 1 . . . . . . . . 5679 1 957 . 1 1 87 87 ARG CZ C 13 160.1 . . 1 . . . . . . . . 5679 1 958 . 1 1 87 87 ARG N N 15 126.3 . . 1 . . . . . . . . 5679 1 959 . 1 1 87 87 ARG NE N 15 86.2 . . 1 . . . . . . . . 5679 1 960 . 1 1 88 88 LEU H H 1 8.37 . . 1 . . . . . . . . 5679 1 961 . 1 1 88 88 LEU HA H 1 4.57 . . 1 . . . . . . . . 5679 1 962 . 1 1 88 88 LEU HB2 H 1 1.37 . . 2 . . . . . . . . 5679 1 963 . 1 1 88 88 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 5679 1 964 . 1 1 88 88 LEU HG H 1 1.11 . . 1 . . . . . . . . 5679 1 965 . 1 1 88 88 LEU HD11 H 1 0.13 . . 2 . . . . . . . . 5679 1 966 . 1 1 88 88 LEU HD12 H 1 0.13 . . 2 . . . . . . . . 5679 1 967 . 1 1 88 88 LEU HD13 H 1 0.13 . . 2 . . . . . . . . 5679 1 968 . 1 1 88 88 LEU HD21 H 1 0.35 . . 2 . . . . . . . . 5679 1 969 . 1 1 88 88 LEU HD22 H 1 0.35 . . 2 . . . . . . . . 5679 1 970 . 1 1 88 88 LEU HD23 H 1 0.35 . . 2 . . . . . . . . 5679 1 971 . 1 1 88 88 LEU C C 13 176.7 . . 1 . . . . . . . . 5679 1 972 . 1 1 88 88 LEU CA C 13 53.9 . . 1 . . . . . . . . 5679 1 973 . 1 1 88 88 LEU CB C 13 39.1 . . 1 . . . . . . . . 5679 1 974 . 1 1 88 88 LEU CG C 13 27.5 . . 1 . . . . . . . . 5679 1 975 . 1 1 88 88 LEU CD1 C 13 23.8 . . 1 . . . . . . . . 5679 1 976 . 1 1 88 88 LEU CD2 C 13 23.8 . . 1 . . . . . . . . 5679 1 977 . 1 1 88 88 LEU N N 15 127.8 . . 1 . . . . . . . . 5679 1 978 . 1 1 89 89 ASN H H 1 8.04 . . 1 . . . . . . . . 5679 1 979 . 1 1 89 89 ASN HA H 1 4.94 . . 1 . . . . . . . . 5679 1 980 . 1 1 89 89 ASN HB2 H 1 2.99 . . 2 . . . . . . . . 5679 1 981 . 1 1 89 89 ASN HB3 H 1 3.10 . . 2 . . . . . . . . 5679 1 982 . 1 1 89 89 ASN HD21 H 1 6.43 . . 2 . . . . . . . . 5679 1 983 . 1 1 89 89 ASN HD22 H 1 7.47 . . 2 . . . . . . . . 5679 1 984 . 1 1 89 89 ASN CA C 13 52.7 . . 1 . . . . . . . . 5679 1 985 . 1 1 89 89 ASN CB C 13 39.8 . . 1 . . . . . . . . 5679 1 986 . 1 1 89 89 ASN CG C 13 176.3 . . 1 . . . . . . . . 5679 1 987 . 1 1 89 89 ASN N N 15 123.4 . . 1 . . . . . . . . 5679 1 988 . 1 1 89 89 ASN ND2 N 15 113.7 . . 1 . . . . . . . . 5679 1 989 . 1 1 90 90 SER HA H 1 4.29 . . 1 . . . . . . . . 5679 1 990 . 1 1 90 90 SER HB2 H 1 4.02 . . 1 . . . . . . . . 5679 1 991 . 1 1 90 90 SER HB3 H 1 4.02 . . 1 . . . . . . . . 5679 1 992 . 1 1 90 90 SER C C 13 175.2 . . 1 . . . . . . . . 5679 1 993 . 1 1 90 90 SER CA C 13 60.9 . . 1 . . . . . . . . 5679 1 994 . 1 1 90 90 SER CB C 13 62.5 . . 1 . . . . . . . . 5679 1 995 . 1 1 91 91 ASP H H 1 7.89 . . 1 . . . . . . . . 5679 1 996 . 1 1 91 91 ASP HA H 1 4.53 . . 1 . . . . . . . . 5679 1 997 . 1 1 91 91 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 5679 1 998 . 1 1 91 91 ASP HB3 H 1 3.11 . . 2 . . . . . . . . 5679 1 999 . 1 1 91 91 ASP C C 13 177.0 . . 1 . . . . . . . . 5679 1 1000 . 1 1 91 91 ASP CA C 13 53.3 . . 1 . . . . . . . . 5679 1 1001 . 1 1 91 91 ASP CB C 13 39.5 . . 1 . . . . . . . . 5679 1 1002 . 1 1 91 91 ASP N N 15 120.5 . . 1 . . . . . . . . 5679 1 1003 . 1 1 92 92 GLY H H 1 7.90 . . 1 . . . . . . . . 5679 1 1004 . 1 1 92 92 GLY HA2 H 1 4.00 . . 2 . . . . . . . . 5679 1 1005 . 1 1 92 92 GLY HA3 H 1 4.58 . . 2 . . . . . . . . 5679 1 1006 . 1 1 92 92 GLY C C 13 175.0 . . 1 . . . . . . . . 5679 1 1007 . 1 1 92 92 GLY CA C 13 45.1 . . 1 . . . . . . . . 5679 1 1008 . 1 1 92 92 GLY N N 15 108.5 . . 1 . . . . . . . . 5679 1 1009 . 1 1 93 93 SER H H 1 8.58 . . 1 . . . . . . . . 5679 1 1010 . 1 1 93 93 SER HA H 1 5.09 . . 1 . . . . . . . . 5679 1 1011 . 1 1 93 93 SER HB2 H 1 4.22 . . 2 . . . . . . . . 5679 1 1012 . 1 1 93 93 SER HB3 H 1 4.29 . . 2 . . . . . . . . 5679 1 1013 . 1 1 93 93 SER C C 13 174.9 . . 1 . . . . . . . . 5679 1 1014 . 1 1 93 93 SER CA C 13 58.5 . . 1 . . . . . . . . 5679 1 1015 . 1 1 93 93 SER CB C 13 65.4 . . 1 . . . . . . . . 5679 1 1016 . 1 1 93 93 SER N N 15 118.9 . . 1 . . . . . . . . 5679 1 1017 . 1 1 94 94 ILE H H 1 9.28 . . 1 . . . . . . . . 5679 1 1018 . 1 1 94 94 ILE HA H 1 4.97 . . 1 . . . . . . . . 5679 1 1019 . 1 1 94 94 ILE HB H 1 1.23 . . 1 . . . . . . . . 5679 1 1020 . 1 1 94 94 ILE HG12 H 1 0.73 . . 2 . . . . . . . . 5679 1 1021 . 1 1 94 94 ILE HG13 H 1 1.57 . . 2 . . . . . . . . 5679 1 1022 . 1 1 94 94 ILE HG21 H 1 0.47 . . 1 . . . . . . . . 5679 1 1023 . 1 1 94 94 ILE HG22 H 1 0.47 . . 1 . . . . . . . . 5679 1 1024 . 1 1 94 94 ILE HG23 H 1 0.47 . . 1 . . . . . . . . 5679 1 1025 . 1 1 94 94 ILE HD11 H 1 -0.09 . . 1 . . . . . . . . 5679 1 1026 . 1 1 94 94 ILE HD12 H 1 -0.09 . . 1 . . . . . . . . 5679 1 1027 . 1 1 94 94 ILE HD13 H 1 -0.09 . . 1 . . . . . . . . 5679 1 1028 . 1 1 94 94 ILE C C 13 174.6 . . 1 . . . . . . . . 5679 1 1029 . 1 1 94 94 ILE CA C 13 61.9 . . 1 . . . . . . . . 5679 1 1030 . 1 1 94 94 ILE CB C 13 39.0 . . 1 . . . . . . . . 5679 1 1031 . 1 1 94 94 ILE CG1 C 13 27.0 . . 1 . . . . . . . . 5679 1 1032 . 1 1 94 94 ILE CG2 C 13 16.4 . . 1 . . . . . . . . 5679 1 1033 . 1 1 94 94 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 5679 1 1034 . 1 1 94 94 ILE N N 15 125.1 . . 1 . . . . . . . . 5679 1 1035 . 1 1 95 95 VAL H H 1 8.86 . . 1 . . . . . . . . 5679 1 1036 . 1 1 95 95 VAL HA H 1 5.00 . . 1 . . . . . . . . 5679 1 1037 . 1 1 95 95 VAL HB H 1 1.81 . . 1 . . . . . . . . 5679 1 1038 . 1 1 95 95 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 5679 1 1039 . 1 1 95 95 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 5679 1 1040 . 1 1 95 95 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 5679 1 1041 . 1 1 95 95 VAL HG21 H 1 1.05 . . 2 . . . . . . . . 5679 1 1042 . 1 1 95 95 VAL HG22 H 1 1.05 . . 2 . . . . . . . . 5679 1 1043 . 1 1 95 95 VAL HG23 H 1 1.05 . . 2 . . . . . . . . 5679 1 1044 . 1 1 95 95 VAL C C 13 177.8 . . 1 . . . . . . . . 5679 1 1045 . 1 1 95 95 VAL CA C 13 59.4 . . 1 . . . . . . . . 5679 1 1046 . 1 1 95 95 VAL CB C 13 35.7 . . 1 . . . . . . . . 5679 1 1047 . 1 1 95 95 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 5679 1 1048 . 1 1 95 95 VAL CG2 C 13 22.5 . . 2 . . . . . . . . 5679 1 1049 . 1 1 95 95 VAL N N 15 127.5 . . 1 . . . . . . . . 5679 1 1050 . 1 1 96 96 GLY H H 1 9.36 . . 1 . . . . . . . . 5679 1 1051 . 1 1 96 96 GLY HA2 H 1 2.84 . . 2 . . . . . . . . 5679 1 1052 . 1 1 96 96 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 5679 1 1053 . 1 1 96 96 GLY C C 13 175.2 . . 1 . . . . . . . . 5679 1 1054 . 1 1 96 96 GLY CA C 13 47.0 . . 1 . . . . . . . . 5679 1 1055 . 1 1 96 96 GLY N N 15 115.8 . . 1 . . . . . . . . 5679 1 1056 . 1 1 97 97 VAL H H 1 7.93 . . 1 . . . . . . . . 5679 1 1057 . 1 1 97 97 VAL HA H 1 3.34 . . 1 . . . . . . . . 5679 1 1058 . 1 1 97 97 VAL HB H 1 1.78 . . 1 . . . . . . . . 5679 1 1059 . 1 1 97 97 VAL HG11 H 1 0.76 . . 1 . . . . . . . . 5679 1 1060 . 1 1 97 97 VAL HG12 H 1 0.76 . . 1 . . . . . . . . 5679 1 1061 . 1 1 97 97 VAL HG13 H 1 0.76 . . 1 . . . . . . . . 5679 1 1062 . 1 1 97 97 VAL HG21 H 1 0.76 . . 1 . . . . . . . . 5679 1 1063 . 1 1 97 97 VAL HG22 H 1 0.76 . . 1 . . . . . . . . 5679 1 1064 . 1 1 97 97 VAL HG23 H 1 0.76 . . 1 . . . . . . . . 5679 1 1065 . 1 1 97 97 VAL C C 13 177.7 . . 1 . . . . . . . . 5679 1 1066 . 1 1 97 97 VAL CA C 13 66.4 . . 1 . . . . . . . . 5679 1 1067 . 1 1 97 97 VAL CB C 13 31.6 . . 1 . . . . . . . . 5679 1 1068 . 1 1 97 97 VAL CG1 C 13 19.7 . . 2 . . . . . . . . 5679 1 1069 . 1 1 97 97 VAL CG2 C 13 23.1 . . 2 . . . . . . . . 5679 1 1070 . 1 1 97 97 VAL N N 15 129.0 . . 1 . . . . . . . . 5679 1 1071 . 1 1 98 98 GLN H H 1 6.57 . . 1 . . . . . . . . 5679 1 1072 . 1 1 98 98 GLN HA H 1 3.97 . . 1 . . . . . . . . 5679 1 1073 . 1 1 98 98 GLN HB2 H 1 1.38 . . 2 . . . . . . . . 5679 1 1074 . 1 1 98 98 GLN HB3 H 1 1.76 . . 2 . . . . . . . . 5679 1 1075 . 1 1 98 98 GLN HG2 H 1 1.86 . . 2 . . . . . . . . 5679 1 1076 . 1 1 98 98 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 5679 1 1077 . 1 1 98 98 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 5679 1 1078 . 1 1 98 98 GLN HE22 H 1 7.84 . . 2 . . . . . . . . 5679 1 1079 . 1 1 98 98 GLN C C 13 177.2 . . 1 . . . . . . . . 5679 1 1080 . 1 1 98 98 GLN CA C 13 57.9 . . 1 . . . . . . . . 5679 1 1081 . 1 1 98 98 GLN CB C 13 29.5 . . 1 . . . . . . . . 5679 1 1082 . 1 1 98 98 GLN CG C 13 33.5 . . 1 . . . . . . . . 5679 1 1083 . 1 1 98 98 GLN CD C 13 179.6 . . 1 . . . . . . . . 5679 1 1084 . 1 1 98 98 GLN N N 15 116.6 . . 1 . . . . . . . . 5679 1 1085 . 1 1 98 98 GLN NE2 N 15 114.0 . . 1 . . . . . . . . 5679 1 1086 . 1 1 99 99 SER H H 1 8.10 . . 1 . . . . . . . . 5679 1 1087 . 1 1 99 99 SER HA H 1 4.07 . . 1 . . . . . . . . 5679 1 1088 . 1 1 99 99 SER HB2 H 1 3.79 . . 2 . . . . . . . . 5679 1 1089 . 1 1 99 99 SER HB3 H 1 3.84 . . 2 . . . . . . . . 5679 1 1090 . 1 1 99 99 SER C C 13 176.3 . . 1 . . . . . . . . 5679 1 1091 . 1 1 99 99 SER CA C 13 52.6 . . 1 . . . . . . . . 5679 1 1092 . 1 1 99 99 SER CB C 13 63.8 . . 1 . . . . . . . . 5679 1 1093 . 1 1 99 99 SER N N 15 110.6 . . 1 . . . . . . . . 5679 1 1094 . 1 1 100 100 GLY H H 1 8.46 . . 1 . . . . . . . . 5679 1 1095 . 1 1 100 100 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 5679 1 1096 . 1 1 100 100 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 5679 1 1097 . 1 1 100 100 GLY C C 13 173.9 . . 1 . . . . . . . . 5679 1 1098 . 1 1 100 100 GLY CA C 13 46.1 . . 1 . . . . . . . . 5679 1 1099 . 1 1 100 100 GLY N N 15 114.3 . . 1 . . . . . . . . 5679 1 1100 . 1 1 101 101 LEU H H 1 7.86 . . 1 . . . . . . . . 5679 1 1101 . 1 1 101 101 LEU HA H 1 4.70 . . 1 . . . . . . . . 5679 1 1102 . 1 1 101 101 LEU HB2 H 1 1.24 . . 2 . . . . . . . . 5679 1 1103 . 1 1 101 101 LEU HB3 H 1 1.81 . . 2 . . . . . . . . 5679 1 1104 . 1 1 101 101 LEU HG H 1 1.47 . . 1 . . . . . . . . 5679 1 1105 . 1 1 101 101 LEU HD11 H 1 0.62 . . 2 . . . . . . . . 5679 1 1106 . 1 1 101 101 LEU HD12 H 1 0.62 . . 2 . . . . . . . . 5679 1 1107 . 1 1 101 101 LEU HD13 H 1 0.62 . . 2 . . . . . . . . 5679 1 1108 . 1 1 101 101 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 5679 1 1109 . 1 1 101 101 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 5679 1 1110 . 1 1 101 101 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 5679 1 1111 . 1 1 101 101 LEU C C 13 174.9 . . 1 . . . . . . . . 5679 1 1112 . 1 1 101 101 LEU CA C 13 53.2 . . 1 . . . . . . . . 5679 1 1113 . 1 1 101 101 LEU CB C 13 43.5 . . 1 . . . . . . . . 5679 1 1114 . 1 1 101 101 LEU CG C 13 25.7 . . 1 . . . . . . . . 5679 1 1115 . 1 1 101 101 LEU CD1 C 13 21.6 . . 1 . . . . . . . . 5679 1 1116 . 1 1 101 101 LEU CD2 C 13 21.6 . . 1 . . . . . . . . 5679 1 1117 . 1 1 101 101 LEU N N 15 120.3 . . 1 . . . . . . . . 5679 1 1118 . 1 1 102 102 CYS H H 1 8.10 . . 1 . . . . . . . . 5679 1 1119 . 1 1 102 102 CYS HA H 1 5.43 . . 1 . . . . . . . . 5679 1 1120 . 1 1 102 102 CYS HB2 H 1 3.25 . . 2 . . . . . . . . 5679 1 1121 . 1 1 102 102 CYS HB3 H 1 3.33 . . 2 . . . . . . . . 5679 1 1122 . 1 1 102 102 CYS C C 13 175.6 . . 1 . . . . . . . . 5679 1 1123 . 1 1 102 102 CYS CA C 13 60.7 . . 1 . . . . . . . . 5679 1 1124 . 1 1 102 102 CYS CB C 13 43.2 . . 1 . . . . . . . . 5679 1 1125 . 1 1 102 102 CYS N N 15 119.5 . . 1 . . . . . . . . 5679 1 1126 . 1 1 103 103 LEU H H 1 8.76 . . 1 . . . . . . . . 5679 1 1127 . 1 1 103 103 LEU HA H 1 4.37 . . 1 . . . . . . . . 5679 1 1128 . 1 1 103 103 LEU HB2 H 1 1.36 . . 1 . . . . . . . . 5679 1 1129 . 1 1 103 103 LEU HB3 H 1 1.36 . . 1 . . . . . . . . 5679 1 1130 . 1 1 103 103 LEU HG H 1 1.10 . . 1 . . . . . . . . 5679 1 1131 . 1 1 103 103 LEU HD11 H 1 -0.25 . . 2 . . . . . . . . 5679 1 1132 . 1 1 103 103 LEU HD12 H 1 -0.25 . . 2 . . . . . . . . 5679 1 1133 . 1 1 103 103 LEU HD13 H 1 -0.25 . . 2 . . . . . . . . 5679 1 1134 . 1 1 103 103 LEU HD21 H 1 -0.08 . . 2 . . . . . . . . 5679 1 1135 . 1 1 103 103 LEU HD22 H 1 -0.08 . . 2 . . . . . . . . 5679 1 1136 . 1 1 103 103 LEU HD23 H 1 -0.08 . . 2 . . . . . . . . 5679 1 1137 . 1 1 103 103 LEU C C 13 179.0 . . 1 . . . . . . . . 5679 1 1138 . 1 1 103 103 LEU CA C 13 56.3 . . 1 . . . . . . . . 5679 1 1139 . 1 1 103 103 LEU CB C 13 42.7 . . 1 . . . . . . . . 5679 1 1140 . 1 1 103 103 LEU CG C 13 25.2 . . 1 . . . . . . . . 5679 1 1141 . 1 1 103 103 LEU CD1 C 13 24.2 . . 1 . . . . . . . . 5679 1 1142 . 1 1 103 103 LEU CD2 C 13 24.2 . . 1 . . . . . . . . 5679 1 1143 . 1 1 103 103 LEU N N 15 121.5 . . 1 . . . . . . . . 5679 1 1144 . 1 1 104 104 ASP H H 1 9.35 . . 1 . . . . . . . . 5679 1 1145 . 1 1 104 104 ASP HA H 1 5.27 . . 1 . . . . . . . . 5679 1 1146 . 1 1 104 104 ASP HB2 H 1 2.39 . . 2 . . . . . . . . 5679 1 1147 . 1 1 104 104 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 5679 1 1148 . 1 1 104 104 ASP C C 13 174.2 . . 1 . . . . . . . . 5679 1 1149 . 1 1 104 104 ASP CA C 13 54.1 . . 1 . . . . . . . . 5679 1 1150 . 1 1 104 104 ASP CB C 13 32.5 . . 1 . . . . . . . . 5679 1 1151 . 1 1 104 104 ASP N N 15 130.8 . . 1 . . . . . . . . 5679 1 1152 . 1 1 105 105 ALA H H 1 8.26 . . 1 . . . . . . . . 5679 1 1153 . 1 1 105 105 ALA HA H 1 4.88 . . 1 . . . . . . . . 5679 1 1154 . 1 1 105 105 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5679 1 1155 . 1 1 105 105 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5679 1 1156 . 1 1 105 105 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5679 1 1157 . 1 1 105 105 ALA C C 13 177.2 . . 1 . . . . . . . . 5679 1 1158 . 1 1 105 105 ALA CA C 13 51.5 . . 1 . . . . . . . . 5679 1 1159 . 1 1 105 105 ALA CB C 13 17.8 . . 1 . . . . . . . . 5679 1 1160 . 1 1 105 105 ALA N N 15 129.1 . . 1 . . . . . . . . 5679 1 1161 . 1 1 106 106 VAL H H 1 8.53 . . 1 . . . . . . . . 5679 1 1162 . 1 1 106 106 VAL HA H 1 3.50 . . 1 . . . . . . . . 5679 1 1163 . 1 1 106 106 VAL HB H 1 1.97 . . 1 . . . . . . . . 5679 1 1164 . 1 1 106 106 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 5679 1 1165 . 1 1 106 106 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 5679 1 1166 . 1 1 106 106 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 5679 1 1167 . 1 1 106 106 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 5679 1 1168 . 1 1 106 106 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 5679 1 1169 . 1 1 106 106 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 5679 1 1170 . 1 1 106 106 VAL C C 13 179.5 . . 1 . . . . . . . . 5679 1 1171 . 1 1 106 106 VAL CA C 13 64.8 . . 1 . . . . . . . . 5679 1 1172 . 1 1 106 106 VAL CB C 13 31.6 . . 1 . . . . . . . . 5679 1 1173 . 1 1 106 106 VAL CG1 C 13 20.7 . . 2 . . . . . . . . 5679 1 1174 . 1 1 106 106 VAL CG2 C 13 21.9 . . 2 . . . . . . . . 5679 1 1175 . 1 1 106 106 VAL N N 15 128.7 . . 1 . . . . . . . . 5679 1 1176 . 1 1 107 107 GLY H H 1 9.23 . . 1 . . . . . . . . 5679 1 1177 . 1 1 107 107 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 5679 1 1178 . 1 1 107 107 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 5679 1 1179 . 1 1 107 107 GLY C C 13 176.1 . . 1 . . . . . . . . 5679 1 1180 . 1 1 107 107 GLY CA C 13 45.4 . . 1 . . . . . . . . 5679 1 1181 . 1 1 107 107 GLY N N 15 120.5 . . 1 . . . . . . . . 5679 1 1182 . 1 1 108 108 GLY H H 1 8.44 . . 1 . . . . . . . . 5679 1 1183 . 1 1 108 108 GLY HA2 H 1 3.33 . . 2 . . . . . . . . 5679 1 1184 . 1 1 108 108 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 5679 1 1185 . 1 1 108 108 GLY C C 13 175.4 . . 1 . . . . . . . . 5679 1 1186 . 1 1 108 108 GLY CA C 13 45.4 . . 1 . . . . . . . . 5679 1 1187 . 1 1 108 108 GLY N N 15 109.0 . . 1 . . . . . . . . 5679 1 1188 . 1 1 109 109 GLY H H 1 7.77 . . 1 . . . . . . . . 5679 1 1189 . 1 1 109 109 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 5679 1 1190 . 1 1 109 109 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 5679 1 1191 . 1 1 109 109 GLY C C 13 173.0 . . 1 . . . . . . . . 5679 1 1192 . 1 1 109 109 GLY CA C 13 45.7 . . 1 . . . . . . . . 5679 1 1193 . 1 1 109 109 GLY N N 15 108.2 . . 1 . . . . . . . . 5679 1 1194 . 1 1 110 110 THR H H 1 8.21 . . 1 . . . . . . . . 5679 1 1195 . 1 1 110 110 THR HA H 1 4.25 . . 1 . . . . . . . . 5679 1 1196 . 1 1 110 110 THR HB H 1 4.03 . . 1 . . . . . . . . 5679 1 1197 . 1 1 110 110 THR HG21 H 1 0.96 . . 1 . . . . . . . . 5679 1 1198 . 1 1 110 110 THR HG22 H 1 0.96 . . 1 . . . . . . . . 5679 1 1199 . 1 1 110 110 THR HG23 H 1 0.96 . . 1 . . . . . . . . 5679 1 1200 . 1 1 110 110 THR C C 13 174.8 . . 1 . . . . . . . . 5679 1 1201 . 1 1 110 110 THR CA C 13 59.6 . . 1 . . . . . . . . 5679 1 1202 . 1 1 110 110 THR CB C 13 69.9 . . 1 . . . . . . . . 5679 1 1203 . 1 1 110 110 THR CG2 C 13 20.5 . . 1 . . . . . . . . 5679 1 1204 . 1 1 110 110 THR N N 15 109.0 . . 1 . . . . . . . . 5679 1 1205 . 1 1 111 111 ALA H H 1 7.22 . . 1 . . . . . . . . 5679 1 1206 . 1 1 111 111 ALA HA H 1 4.13 . . 1 . . . . . . . . 5679 1 1207 . 1 1 111 111 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 5679 1 1208 . 1 1 111 111 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 5679 1 1209 . 1 1 111 111 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 5679 1 1210 . 1 1 111 111 ALA C C 13 179.1 . . 1 . . . . . . . . 5679 1 1211 . 1 1 111 111 ALA CA C 13 51.2 . . 1 . . . . . . . . 5679 1 1212 . 1 1 111 111 ALA CB C 13 20.5 . . 1 . . . . . . . . 5679 1 1213 . 1 1 111 111 ALA N N 15 124.0 . . 1 . . . . . . . . 5679 1 1214 . 1 1 112 112 ASN H H 1 8.61 . . 1 . . . . . . . . 5679 1 1215 . 1 1 112 112 ASN HA H 1 4.43 . . 1 . . . . . . . . 5679 1 1216 . 1 1 112 112 ASN HB2 H 1 2.61 . . 1 . . . . . . . . 5679 1 1217 . 1 1 112 112 ASN HB3 H 1 2.61 . . 1 . . . . . . . . 5679 1 1218 . 1 1 112 112 ASN HD21 H 1 7.18 . . 2 . . . . . . . . 5679 1 1219 . 1 1 112 112 ASN HD22 H 1 6.61 . . 2 . . . . . . . . 5679 1 1220 . 1 1 112 112 ASN C C 13 178.0 . . 1 . . . . . . . . 5679 1 1221 . 1 1 112 112 ASN CA C 13 54.0 . . 1 . . . . . . . . 5679 1 1222 . 1 1 112 112 ASN CB C 13 37.8 . . 1 . . . . . . . . 5679 1 1223 . 1 1 112 112 ASN CG C 13 174.5 . . 1 . . . . . . . . 5679 1 1224 . 1 1 112 112 ASN N N 15 120.6 . . 1 . . . . . . . . 5679 1 1225 . 1 1 112 112 ASN ND2 N 15 111.2 . . 1 . . . . . . . . 5679 1 1226 . 1 1 113 113 GLY H H 1 9.26 . . 1 . . . . . . . . 5679 1 1227 . 1 1 113 113 GLY HA2 H 1 4.32 . . 1 . . . . . . . . 5679 1 1228 . 1 1 113 113 GLY HA3 H 1 4.32 . . 1 . . . . . . . . 5679 1 1229 . 1 1 113 113 GLY C C 13 175.5 . . 1 . . . . . . . . 5679 1 1230 . 1 1 113 113 GLY CA C 13 44.4 . . 1 . . . . . . . . 5679 1 1231 . 1 1 113 113 GLY N N 15 111.8 . . 1 . . . . . . . . 5679 1 1232 . 1 1 114 114 THR H H 1 7.67 . . 1 . . . . . . . . 5679 1 1233 . 1 1 114 114 THR HA H 1 3.99 . . 1 . . . . . . . . 5679 1 1234 . 1 1 114 114 THR HB H 1 3.84 . . 1 . . . . . . . . 5679 1 1235 . 1 1 114 114 THR HG21 H 1 1.43 . . 1 . . . . . . . . 5679 1 1236 . 1 1 114 114 THR HG22 H 1 1.43 . . 1 . . . . . . . . 5679 1 1237 . 1 1 114 114 THR HG23 H 1 1.43 . . 1 . . . . . . . . 5679 1 1238 . 1 1 114 114 THR C C 13 173.9 . . 1 . . . . . . . . 5679 1 1239 . 1 1 114 114 THR CA C 13 64.9 . . 1 . . . . . . . . 5679 1 1240 . 1 1 114 114 THR CB C 13 69.7 . . 1 . . . . . . . . 5679 1 1241 . 1 1 114 114 THR CG2 C 13 20.4 . . 1 . . . . . . . . 5679 1 1242 . 1 1 114 114 THR N N 15 119.5 . . 1 . . . . . . . . 5679 1 1243 . 1 1 115 115 LEU H H 1 8.53 . . 1 . . . . . . . . 5679 1 1244 . 1 1 115 115 LEU HA H 1 4.72 . . 1 . . . . . . . . 5679 1 1245 . 1 1 115 115 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 5679 1 1246 . 1 1 115 115 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 5679 1 1247 . 1 1 115 115 LEU HG H 1 1.95 . . 1 . . . . . . . . 5679 1 1248 . 1 1 115 115 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 5679 1 1249 . 1 1 115 115 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 5679 1 1250 . 1 1 115 115 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 5679 1 1251 . 1 1 115 115 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 5679 1 1252 . 1 1 115 115 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 5679 1 1253 . 1 1 115 115 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 5679 1 1254 . 1 1 115 115 LEU C C 13 175.6 . . 1 . . . . . . . . 5679 1 1255 . 1 1 115 115 LEU CA C 13 54.8 . . 1 . . . . . . . . 5679 1 1256 . 1 1 115 115 LEU CB C 13 42.7 . . 1 . . . . . . . . 5679 1 1257 . 1 1 115 115 LEU CG C 13 26.4 . . 1 . . . . . . . . 5679 1 1258 . 1 1 115 115 LEU CD1 C 13 21.7 . . 2 . . . . . . . . 5679 1 1259 . 1 1 115 115 LEU CD2 C 13 25.0 . . 2 . . . . . . . . 5679 1 1260 . 1 1 115 115 LEU N N 15 129.1 . . 1 . . . . . . . . 5679 1 1261 . 1 1 116 116 ILE H H 1 7.28 . . 1 . . . . . . . . 5679 1 1262 . 1 1 116 116 ILE HA H 1 4.95 . . 1 . . . . . . . . 5679 1 1263 . 1 1 116 116 ILE HB H 1 1.77 . . 1 . . . . . . . . 5679 1 1264 . 1 1 116 116 ILE HG12 H 1 0.96 . . 2 . . . . . . . . 5679 1 1265 . 1 1 116 116 ILE HG13 H 1 1.50 . . 2 . . . . . . . . 5679 1 1266 . 1 1 116 116 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 5679 1 1267 . 1 1 116 116 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 5679 1 1268 . 1 1 116 116 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 5679 1 1269 . 1 1 116 116 ILE HD11 H 1 0.70 . . 1 . . . . . . . . 5679 1 1270 . 1 1 116 116 ILE HD12 H 1 0.70 . . 1 . . . . . . . . 5679 1 1271 . 1 1 116 116 ILE HD13 H 1 0.70 . . 1 . . . . . . . . 5679 1 1272 . 1 1 116 116 ILE C C 13 175.0 . . 1 . . . . . . . . 5679 1 1273 . 1 1 116 116 ILE CA C 13 57.5 . . 1 . . . . . . . . 5679 1 1274 . 1 1 116 116 ILE CB C 13 36.1 . . 1 . . . . . . . . 5679 1 1275 . 1 1 116 116 ILE CG1 C 13 26.1 . . 1 . . . . . . . . 5679 1 1276 . 1 1 116 116 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 5679 1 1277 . 1 1 116 116 ILE CD1 C 13 8.9 . . 1 . . . . . . . . 5679 1 1278 . 1 1 116 116 ILE N N 15 117.8 . . 1 . . . . . . . . 5679 1 1279 . 1 1 117 117 GLN H H 1 9.34 . . 1 . . . . . . . . 5679 1 1280 . 1 1 117 117 GLN HA H 1 5.65 . . 1 . . . . . . . . 5679 1 1281 . 1 1 117 117 GLN HB2 H 1 1.57 . . 2 . . . . . . . . 5679 1 1282 . 1 1 117 117 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 5679 1 1283 . 1 1 117 117 GLN HG2 H 1 2.17 . . 2 . . . . . . . . 5679 1 1284 . 1 1 117 117 GLN HG3 H 1 2.74 . . 2 . . . . . . . . 5679 1 1285 . 1 1 117 117 GLN HE21 H 1 6.56 . . 2 . . . . . . . . 5679 1 1286 . 1 1 117 117 GLN HE22 H 1 7.82 . . 2 . . . . . . . . 5679 1 1287 . 1 1 117 117 GLN C C 13 175.3 . . 1 . . . . . . . . 5679 1 1288 . 1 1 117 117 GLN CA C 13 52.3 . . 1 . . . . . . . . 5679 1 1289 . 1 1 117 117 GLN CB C 13 32.1 . . 1 . . . . . . . . 5679 1 1290 . 1 1 117 117 GLN CG C 13 31.3 . . 1 . . . . . . . . 5679 1 1291 . 1 1 117 117 GLN CD C 13 179.1 . . 1 . . . . . . . . 5679 1 1292 . 1 1 117 117 GLN N N 15 127.0 . . 1 . . . . . . . . 5679 1 1293 . 1 1 117 117 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 5679 1 1294 . 1 1 118 118 LEU H H 1 8.25 . . 1 . . . . . . . . 5679 1 1295 . 1 1 118 118 LEU HA H 1 5.32 . . 1 . . . . . . . . 5679 1 1296 . 1 1 118 118 LEU HB2 H 1 1.38 . . 2 . . . . . . . . 5679 1 1297 . 1 1 118 118 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 5679 1 1298 . 1 1 118 118 LEU HG H 1 1.50 . . 1 . . . . . . . . 5679 1 1299 . 1 1 118 118 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 5679 1 1300 . 1 1 118 118 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 5679 1 1301 . 1 1 118 118 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 5679 1 1302 . 1 1 118 118 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 5679 1 1303 . 1 1 118 118 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 5679 1 1304 . 1 1 118 118 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 5679 1 1305 . 1 1 118 118 LEU C C 13 178.1 . . 1 . . . . . . . . 5679 1 1306 . 1 1 118 118 LEU CA C 13 52.7 . . 1 . . . . . . . . 5679 1 1307 . 1 1 118 118 LEU CB C 13 44.1 . . 1 . . . . . . . . 5679 1 1308 . 1 1 118 118 LEU CG C 13 25.6 . . 1 . . . . . . . . 5679 1 1309 . 1 1 118 118 LEU CD1 C 13 22.2 . . 1 . . . . . . . . 5679 1 1310 . 1 1 118 118 LEU CD2 C 13 22.2 . . 1 . . . . . . . . 5679 1 1311 . 1 1 118 118 LEU N N 15 117.4 . . 1 . . . . . . . . 5679 1 1312 . 1 1 119 119 TYR H H 1 9.52 . . 1 . . . . . . . . 5679 1 1313 . 1 1 119 119 TYR HA H 1 4.65 . . 1 . . . . . . . . 5679 1 1314 . 1 1 119 119 TYR HB2 H 1 2.66 . . 2 . . . . . . . . 5679 1 1315 . 1 1 119 119 TYR HB3 H 1 2.70 . . 2 . . . . . . . . 5679 1 1316 . 1 1 119 119 TYR HD1 H 1 7.25 . . 1 . . . . . . . . 5679 1 1317 . 1 1 119 119 TYR HD2 H 1 7.25 . . 1 . . . . . . . . 5679 1 1318 . 1 1 119 119 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 5679 1 1319 . 1 1 119 119 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 5679 1 1320 . 1 1 119 119 TYR C C 13 174.1 . . 1 . . . . . . . . 5679 1 1321 . 1 1 119 119 TYR CA C 13 58.2 . . 1 . . . . . . . . 5679 1 1322 . 1 1 119 119 TYR CB C 13 44.5 . . 1 . . . . . . . . 5679 1 1323 . 1 1 119 119 TYR CD1 C 13 133.8 . . 1 . . . . . . . . 5679 1 1324 . 1 1 119 119 TYR CD2 C 13 133.8 . . 1 . . . . . . . . 5679 1 1325 . 1 1 119 119 TYR CE1 C 13 117.8 . . 1 . . . . . . . . 5679 1 1326 . 1 1 119 119 TYR CE2 C 13 117.8 . . 1 . . . . . . . . 5679 1 1327 . 1 1 119 119 TYR N N 15 125.2 . . 1 . . . . . . . . 5679 1 1328 . 1 1 120 120 SER H H 1 7.44 . . 1 . . . . . . . . 5679 1 1329 . 1 1 120 120 SER HA H 1 4.23 . . 1 . . . . . . . . 5679 1 1330 . 1 1 120 120 SER HB2 H 1 3.69 . . 2 . . . . . . . . 5679 1 1331 . 1 1 120 120 SER HB3 H 1 3.86 . . 2 . . . . . . . . 5679 1 1332 . 1 1 120 120 SER C C 13 175.9 . . 1 . . . . . . . . 5679 1 1333 . 1 1 120 120 SER CA C 13 59.7 . . 1 . . . . . . . . 5679 1 1334 . 1 1 120 120 SER CB C 13 63.4 . . 1 . . . . . . . . 5679 1 1335 . 1 1 120 120 SER N N 15 121.4 . . 1 . . . . . . . . 5679 1 1336 . 1 1 121 121 CYS H H 1 9.18 . . 1 . . . . . . . . 5679 1 1337 . 1 1 121 121 CYS HA H 1 5.27 . . 1 . . . . . . . . 5679 1 1338 . 1 1 121 121 CYS HB2 H 1 3.08 . . 2 . . . . . . . . 5679 1 1339 . 1 1 121 121 CYS HB3 H 1 3.34 . . 2 . . . . . . . . 5679 1 1340 . 1 1 121 121 CYS C C 13 176.8 . . 1 . . . . . . . . 5679 1 1341 . 1 1 121 121 CYS CA C 13 56.8 . . 1 . . . . . . . . 5679 1 1342 . 1 1 121 121 CYS CB C 13 43.6 . . 1 . . . . . . . . 5679 1 1343 . 1 1 121 121 CYS N N 15 128.1 . . 1 . . . . . . . . 5679 1 1344 . 1 1 122 122 SER H H 1 10.22 . . 1 . . . . . . . . 5679 1 1345 . 1 1 122 122 SER HA H 1 4.70 . . 1 . . . . . . . . 5679 1 1346 . 1 1 122 122 SER HB2 H 1 3.90 . . 2 . . . . . . . . 5679 1 1347 . 1 1 122 122 SER HB3 H 1 4.09 . . 2 . . . . . . . . 5679 1 1348 . 1 1 122 122 SER C C 13 175.7 . . 1 . . . . . . . . 5679 1 1349 . 1 1 122 122 SER CA C 13 57.1 . . 1 . . . . . . . . 5679 1 1350 . 1 1 122 122 SER CB C 13 65.6 . . 1 . . . . . . . . 5679 1 1351 . 1 1 122 122 SER N N 15 122.9 . . 1 . . . . . . . . 5679 1 1352 . 1 1 123 123 ASN H H 1 8.97 . . 1 . . . . . . . . 5679 1 1353 . 1 1 123 123 ASN HA H 1 4.51 . . 1 . . . . . . . . 5679 1 1354 . 1 1 123 123 ASN HB2 H 1 2.91 . . 2 . . . . . . . . 5679 1 1355 . 1 1 123 123 ASN HB3 H 1 3.07 . . 2 . . . . . . . . 5679 1 1356 . 1 1 123 123 ASN HD21 H 1 6.77 . . 2 . . . . . . . . 5679 1 1357 . 1 1 123 123 ASN HD22 H 1 7.47 . . 2 . . . . . . . . 5679 1 1358 . 1 1 123 123 ASN C C 13 175.7 . . 1 . . . . . . . . 5679 1 1359 . 1 1 123 123 ASN CA C 13 54.4 . . 1 . . . . . . . . 5679 1 1360 . 1 1 123 123 ASN CB C 13 37.8 . . 1 . . . . . . . . 5679 1 1361 . 1 1 123 123 ASN CG C 13 178.7 . . 1 . . . . . . . . 5679 1 1362 . 1 1 123 123 ASN N N 15 119.8 . . 1 . . . . . . . . 5679 1 1363 . 1 1 123 123 ASN ND2 N 15 112.8 . . 1 . . . . . . . . 5679 1 1364 . 1 1 124 124 GLY H H 1 8.12 . . 1 . . . . . . . . 5679 1 1365 . 1 1 124 124 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 5679 1 1366 . 1 1 124 124 GLY HA3 H 1 4.20 . . 2 . . . . . . . . 5679 1 1367 . 1 1 124 124 GLY CA C 13 44.7 . . 1 . . . . . . . . 5679 1 1368 . 1 1 124 124 GLY N N 15 107.1 . . 1 . . . . . . . . 5679 1 1369 . 1 1 125 125 SER HA H 1 4.57 . . 1 . . . . . . . . 5679 1 1370 . 1 1 125 125 SER HB2 H 1 3.82 . . 1 . . . . . . . . 5679 1 1371 . 1 1 125 125 SER HB3 H 1 3.82 . . 1 . . . . . . . . 5679 1 1372 . 1 1 125 125 SER C C 13 175.1 . . 1 . . . . . . . . 5679 1 1373 . 1 1 125 125 SER CA C 13 57.9 . . 1 . . . . . . . . 5679 1 1374 . 1 1 125 125 SER CB C 13 63.6 . . 1 . . . . . . . . 5679 1 1375 . 1 1 126 126 ASN H H 1 8.24 . . 1 . . . . . . . . 5679 1 1376 . 1 1 126 126 ASN HA H 1 4.45 . . 1 . . . . . . . . 5679 1 1377 . 1 1 126 126 ASN HB2 H 1 2.71 . . 2 . . . . . . . . 5679 1 1378 . 1 1 126 126 ASN HB3 H 1 3.14 . . 2 . . . . . . . . 5679 1 1379 . 1 1 126 126 ASN HD21 H 1 7.96 . . 2 . . . . . . . . 5679 1 1380 . 1 1 126 126 ASN HD22 H 1 6.63 . . 2 . . . . . . . . 5679 1 1381 . 1 1 126 126 ASN C C 13 174.2 . . 1 . . . . . . . . 5679 1 1382 . 1 1 126 126 ASN CA C 13 53.9 . . 1 . . . . . . . . 5679 1 1383 . 1 1 126 126 ASN CB C 13 37.7 . . 1 . . . . . . . . 5679 1 1384 . 1 1 126 126 ASN CG C 13 178.1 . . 1 . . . . . . . . 5679 1 1385 . 1 1 126 126 ASN N N 15 119.9 . . 1 . . . . . . . . 5679 1 1386 . 1 1 126 126 ASN ND2 N 15 119.4 . . 1 . . . . . . . . 5679 1 1387 . 1 1 127 127 GLN H H 1 7.43 . . 1 . . . . . . . . 5679 1 1388 . 1 1 127 127 GLN HA H 1 5.01 . . 1 . . . . . . . . 5679 1 1389 . 1 1 127 127 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 5679 1 1390 . 1 1 127 127 GLN HB3 H 1 2.61 . . 2 . . . . . . . . 5679 1 1391 . 1 1 127 127 GLN HG2 H 1 2.38 . . 2 . . . . . . . . 5679 1 1392 . 1 1 127 127 GLN HG3 H 1 2.69 . . 2 . . . . . . . . 5679 1 1393 . 1 1 127 127 GLN HE21 H 1 7.26 . . 2 . . . . . . . . 5679 1 1394 . 1 1 127 127 GLN HE22 H 1 9.54 . . 2 . . . . . . . . 5679 1 1395 . 1 1 127 127 GLN C C 13 175.8 . . 1 . . . . . . . . 5679 1 1396 . 1 1 127 127 GLN CA C 13 53.6 . . 1 . . . . . . . . 5679 1 1397 . 1 1 127 127 GLN CB C 13 30.1 . . 1 . . . . . . . . 5679 1 1398 . 1 1 127 127 GLN CG C 13 32.5 . . 1 . . . . . . . . 5679 1 1399 . 1 1 127 127 GLN CD C 13 181.4 . . 1 . . . . . . . . 5679 1 1400 . 1 1 127 127 GLN N N 15 117.0 . . 1 . . . . . . . . 5679 1 1401 . 1 1 127 127 GLN NE2 N 15 111.4 . . 1 . . . . . . . . 5679 1 1402 . 1 1 128 128 ARG H H 1 6.56 . . 1 . . . . . . . . 5679 1 1403 . 1 1 128 128 ARG HA H 1 4.61 . . 1 . . . . . . . . 5679 1 1404 . 1 1 128 128 ARG HB2 H 1 1.68 . . 1 . . . . . . . . 5679 1 1405 . 1 1 128 128 ARG HB3 H 1 1.68 . . 1 . . . . . . . . 5679 1 1406 . 1 1 128 128 ARG HG2 H 1 1.44 . . 1 . . . . . . . . 5679 1 1407 . 1 1 128 128 ARG HG3 H 1 1.44 . . 1 . . . . . . . . 5679 1 1408 . 1 1 128 128 ARG HD2 H 1 3.10 . . 1 . . . . . . . . 5679 1 1409 . 1 1 128 128 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 5679 1 1410 . 1 1 128 128 ARG HE H 1 7.31 . . 1 . . . . . . . . 5679 1 1411 . 1 1 128 128 ARG C C 13 175.8 . . 1 . . . . . . . . 5679 1 1412 . 1 1 128 128 ARG CA C 13 54.3 . . 1 . . . . . . . . 5679 1 1413 . 1 1 128 128 ARG CB C 13 32.5 . . 1 . . . . . . . . 5679 1 1414 . 1 1 128 128 ARG CG C 13 27.4 . . 1 . . . . . . . . 5679 1 1415 . 1 1 128 128 ARG CD C 13 43.4 . . 1 . . . . . . . . 5679 1 1416 . 1 1 128 128 ARG CZ C 13 160.1 . . 1 . . . . . . . . 5679 1 1417 . 1 1 128 128 ARG N N 15 120.3 . . 1 . . . . . . . . 5679 1 1418 . 1 1 128 128 ARG NE N 15 86.0 . . 1 . . . . . . . . 5679 1 1419 . 1 1 129 129 TRP H H 1 9.21 . . 1 . . . . . . . . 5679 1 1420 . 1 1 129 129 TRP HA H 1 5.44 . . 1 . . . . . . . . 5679 1 1421 . 1 1 129 129 TRP HB2 H 1 2.70 . . 2 . . . . . . . . 5679 1 1422 . 1 1 129 129 TRP HB3 H 1 2.96 . . 2 . . . . . . . . 5679 1 1423 . 1 1 129 129 TRP HD1 H 1 7.45 . . 1 . . . . . . . . 5679 1 1424 . 1 1 129 129 TRP HE1 H 1 8.94 . . 1 . . . . . . . . 5679 1 1425 . 1 1 129 129 TRP HE3 H 1 7.06 . . 1 . . . . . . . . 5679 1 1426 . 1 1 129 129 TRP HZ2 H 1 6.87 . . 1 . . . . . . . . 5679 1 1427 . 1 1 129 129 TRP HZ3 H 1 6.57 . . 1 . . . . . . . . 5679 1 1428 . 1 1 129 129 TRP HH2 H 1 6.75 . . 1 . . . . . . . . 5679 1 1429 . 1 1 129 129 TRP C C 13 176.6 . . 1 . . . . . . . . 5679 1 1430 . 1 1 129 129 TRP CA C 13 55.6 . . 1 . . . . . . . . 5679 1 1431 . 1 1 129 129 TRP CB C 13 32.1 . . 1 . . . . . . . . 5679 1 1432 . 1 1 129 129 TRP CD1 C 13 129.3 . . 1 . . . . . . . . 5679 1 1433 . 1 1 129 129 TRP CZ2 C 13 112.4 . . 1 . . . . . . . . 5679 1 1434 . 1 1 129 129 TRP N N 15 127.9 . . 1 . . . . . . . . 5679 1 1435 . 1 1 129 129 TRP NE1 N 15 127.6 . . 1 . . . . . . . . 5679 1 1436 . 1 1 130 130 THR H H 1 9.93 . . 1 . . . . . . . . 5679 1 1437 . 1 1 130 130 THR HA H 1 4.71 . . 1 . . . . . . . . 5679 1 1438 . 1 1 130 130 THR HB H 1 4.09 . . 1 . . . . . . . . 5679 1 1439 . 1 1 130 130 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5679 1 1440 . 1 1 130 130 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5679 1 1441 . 1 1 130 130 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5679 1 1442 . 1 1 130 130 THR C C 13 173.8 . . 1 . . . . . . . . 5679 1 1443 . 1 1 130 130 THR CA C 13 59.9 . . 1 . . . . . . . . 5679 1 1444 . 1 1 130 130 THR CB C 13 70.5 . . 1 . . . . . . . . 5679 1 1445 . 1 1 130 130 THR CG2 C 13 20.9 . . 1 . . . . . . . . 5679 1 1446 . 1 1 130 130 THR N N 15 118.7 . . 1 . . . . . . . . 5679 1 1447 . 1 1 131 131 ARG H H 1 8.66 . . 1 . . . . . . . . 5679 1 1448 . 1 1 131 131 ARG HA H 1 5.19 . . 1 . . . . . . . . 5679 1 1449 . 1 1 131 131 ARG HB2 H 1 1.71 . . 2 . . . . . . . . 5679 1 1450 . 1 1 131 131 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 5679 1 1451 . 1 1 131 131 ARG HG2 H 1 1.61 . . 1 . . . . . . . . 5679 1 1452 . 1 1 131 131 ARG HG3 H 1 1.61 . . 1 . . . . . . . . 5679 1 1453 . 1 1 131 131 ARG HD2 H 1 3.01 . . 1 . . . . . . . . 5679 1 1454 . 1 1 131 131 ARG HD3 H 1 3.01 . . 1 . . . . . . . . 5679 1 1455 . 1 1 131 131 ARG HE H 1 7.25 . . 1 . . . . . . . . 5679 1 1456 . 1 1 131 131 ARG C C 13 176.8 . . 1 . . . . . . . . 5679 1 1457 . 1 1 131 131 ARG CA C 13 54.7 . . 1 . . . . . . . . 5679 1 1458 . 1 1 131 131 ARG CB C 13 31.7 . . 1 . . . . . . . . 5679 1 1459 . 1 1 131 131 ARG CG C 13 26.8 . . 1 . . . . . . . . 5679 1 1460 . 1 1 131 131 ARG CD C 13 43.3 . . 1 . . . . . . . . 5679 1 1461 . 1 1 131 131 ARG CZ C 13 160.0 . . 1 . . . . . . . . 5679 1 1462 . 1 1 131 131 ARG N N 15 124.8 . . 1 . . . . . . . . 5679 1 1463 . 1 1 131 131 ARG NE N 15 84.9 . . 1 . . . . . . . . 5679 1 1464 . 1 1 132 132 THR H H 1 8.38 . . 1 . . . . . . . . 5679 1 1465 . 1 1 132 132 THR HA H 1 4.49 . . 1 . . . . . . . . 5679 1 1466 . 1 1 132 132 THR HB H 1 4.29 . . 1 . . . . . . . . 5679 1 1467 . 1 1 132 132 THR HG21 H 1 1.24 . . 1 . . . . . . . . 5679 1 1468 . 1 1 132 132 THR HG22 H 1 1.24 . . 1 . . . . . . . . 5679 1 1469 . 1 1 132 132 THR HG23 H 1 1.24 . . 1 . . . . . . . . 5679 1 1470 . 1 1 132 132 THR C C 13 174.9 . . 1 . . . . . . . . 5679 1 1471 . 1 1 132 132 THR CA C 13 61.1 . . 1 . . . . . . . . 5679 1 1472 . 1 1 132 132 THR CB C 13 69.7 . . 1 . . . . . . . . 5679 1 1473 . 1 1 132 132 THR CG2 C 13 21.4 . . 1 . . . . . . . . 5679 1 1474 . 1 1 132 132 THR N N 15 117.8 . . 1 . . . . . . . . 5679 1 stop_ save_