data_6972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6972 _Entry.Title ; NMR assignment of the a' domain of thermophilic fungal protein disulfide isomerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-03 _Entry.Accession_date 2006-02-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Michiko Nakano . . . 6972 2 Chiho Murakami . . . 6972 3 Yoshiki Yamaguchi . . . 6972 4 Hiroaki Sasakawa . . . 6972 5 Takushi Harada . . . 6972 6 Eiji Kurimoto . . . 6972 7 Osamu Asami . . . 6972 8 Tsutomu Kajino . . . 6972 9 Koichi Kato . . . 6972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 6972 '15N chemical shifts' 115 6972 '1H chemical shifts' 769 6972 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-12-08 2006-02-03 update author 'complete the entry citation' 6972 1 . . 2006-08-07 2006-02-03 original author 'original release' 6972 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6972 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16819589 _Citation.Full_citation . _Citation.Title "NMR Assignments of the b' and a' Domains of Thermophilic Fungal Protein Disulfide Isomerase" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 44 _Citation.Page_last 44 _Citation.Year 2006 _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 Michiko Nakano . . . 6972 1 2 Chiho Murakami . . . 6972 1 3 Yoshiki Yamaguchi . . . 6972 1 4 Hiroaki Sasakawa . . . 6972 1 5 Takushi Harada . . . 6972 1 6 Eiji Kurimoto . . . 6972 1 7 Osamu Asami . . . 6972 1 8 Tsutomu Kajino . . . 6972 1 9 Koichi Kato . . . 6972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6972 _Assembly.ID 1 _Assembly.Name PDI-a' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 PDI-a' 1 $entity-PDI-a . . no native no no . . . 6972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity-PDI-a _Entity.Sf_category entity _Entity.Sf_framecode entity-PDI-a _Entity.Entry_ID 6972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDI-a' _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 ; GPLGSEGPVTVVVAKNYNEI VLDDTKDVLIEFYAPWCGHC KALAPKYEELGALYAKSEFK DRVVIAKVDATANDVPDEIQ GFPTIKLYPAGAKGQPVTYS GSRTVEDLIKFIAENGKYKA A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2DJJ . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 121 100.00 100.00 6.22e-81 . . . . 6972 1 2 no PDB 2KP1 . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 121 100.00 100.00 6.22e-81 . . . . 6972 1 3 no PDB 3WT1 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (reduced Form)" . . . . . 99.17 247 97.50 97.50 2.63e-76 . . . . 6972 1 4 no PDB 3WT2 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (oxidized Form)" . . . . . 99.17 247 97.50 97.50 2.63e-76 . . . . 6972 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 1 329 GLY . 6972 1 2 330 PRO . 6972 1 3 331 LEU . 6972 1 4 332 GLY . 6972 1 5 333 SER . 6972 1 6 334 GLU . 6972 1 7 335 GLY . 6972 1 8 336 PRO . 6972 1 9 337 VAL . 6972 1 10 338 THR . 6972 1 11 339 VAL . 6972 1 12 340 VAL . 6972 1 13 341 VAL . 6972 1 14 342 ALA . 6972 1 15 343 LYS . 6972 1 16 344 ASN . 6972 1 17 345 TYR . 6972 1 18 346 ASN . 6972 1 19 347 GLU . 6972 1 20 348 ILE . 6972 1 21 349 VAL . 6972 1 22 350 LEU . 6972 1 23 351 ASP . 6972 1 24 352 ASP . 6972 1 25 353 THR . 6972 1 26 354 LYS . 6972 1 27 355 ASP . 6972 1 28 356 VAL . 6972 1 29 357 LEU . 6972 1 30 358 ILE . 6972 1 31 359 GLU . 6972 1 32 360 PHE . 6972 1 33 361 TYR . 6972 1 34 362 ALA . 6972 1 35 363 PRO . 6972 1 36 364 TRP . 6972 1 37 365 CYS . 6972 1 38 366 GLY . 6972 1 39 367 HIS . 6972 1 40 368 CYS . 6972 1 41 369 LYS . 6972 1 42 370 ALA . 6972 1 43 371 LEU . 6972 1 44 372 ALA . 6972 1 45 373 PRO . 6972 1 46 374 LYS . 6972 1 47 375 TYR . 6972 1 48 376 GLU . 6972 1 49 377 GLU . 6972 1 50 378 LEU . 6972 1 51 379 GLY . 6972 1 52 380 ALA . 6972 1 53 381 LEU . 6972 1 54 382 TYR . 6972 1 55 383 ALA . 6972 1 56 384 LYS . 6972 1 57 385 SER . 6972 1 58 386 GLU . 6972 1 59 387 PHE . 6972 1 60 388 LYS . 6972 1 61 389 ASP . 6972 1 62 390 ARG . 6972 1 63 391 VAL . 6972 1 64 392 VAL . 6972 1 65 393 ILE . 6972 1 66 394 ALA . 6972 1 67 395 LYS . 6972 1 68 396 VAL . 6972 1 69 397 ASP . 6972 1 70 398 ALA . 6972 1 71 399 THR . 6972 1 72 400 ALA . 6972 1 73 401 ASN . 6972 1 74 402 ASP . 6972 1 75 403 VAL . 6972 1 76 404 PRO . 6972 1 77 405 ASP . 6972 1 78 406 GLU . 6972 1 79 407 ILE . 6972 1 80 408 GLN . 6972 1 81 409 GLY . 6972 1 82 410 PHE . 6972 1 83 411 PRO . 6972 1 84 412 THR . 6972 1 85 413 ILE . 6972 1 86 414 LYS . 6972 1 87 415 LEU . 6972 1 88 416 TYR . 6972 1 89 417 PRO . 6972 1 90 418 ALA . 6972 1 91 419 GLY . 6972 1 92 420 ALA . 6972 1 93 421 LYS . 6972 1 94 422 GLY . 6972 1 95 423 GLN . 6972 1 96 424 PRO . 6972 1 97 425 VAL . 6972 1 98 426 THR . 6972 1 99 427 TYR . 6972 1 100 428 SER . 6972 1 101 429 GLY . 6972 1 102 430 SER . 6972 1 103 431 ARG . 6972 1 104 432 THR . 6972 1 105 433 VAL . 6972 1 106 434 GLU . 6972 1 107 435 ASP . 6972 1 108 436 LEU . 6972 1 109 437 ILE . 6972 1 110 438 LYS . 6972 1 111 439 PHE . 6972 1 112 440 ILE . 6972 1 113 441 ALA . 6972 1 114 442 GLU . 6972 1 115 443 ASN . 6972 1 116 444 GLY . 6972 1 117 445 LYS . 6972 1 118 446 TYR . 6972 1 119 447 LYS . 6972 1 120 448 ALA . 6972 1 121 449 ALA . 6972 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6972 1 . PRO 2 2 6972 1 . LEU 3 3 6972 1 . GLY 4 4 6972 1 . SER 5 5 6972 1 . GLU 6 6 6972 1 . GLY 7 7 6972 1 . PRO 8 8 6972 1 . VAL 9 9 6972 1 . THR 10 10 6972 1 . VAL 11 11 6972 1 . VAL 12 12 6972 1 . VAL 13 13 6972 1 . ALA 14 14 6972 1 . LYS 15 15 6972 1 . ASN 16 16 6972 1 . TYR 17 17 6972 1 . ASN 18 18 6972 1 . GLU 19 19 6972 1 . ILE 20 20 6972 1 . VAL 21 21 6972 1 . LEU 22 22 6972 1 . ASP 23 23 6972 1 . ASP 24 24 6972 1 . THR 25 25 6972 1 . LYS 26 26 6972 1 . ASP 27 27 6972 1 . VAL 28 28 6972 1 . LEU 29 29 6972 1 . ILE 30 30 6972 1 . GLU 31 31 6972 1 . PHE 32 32 6972 1 . TYR 33 33 6972 1 . ALA 34 34 6972 1 . PRO 35 35 6972 1 . TRP 36 36 6972 1 . CYS 37 37 6972 1 . GLY 38 38 6972 1 . HIS 39 39 6972 1 . CYS 40 40 6972 1 . LYS 41 41 6972 1 . ALA 42 42 6972 1 . LEU 43 43 6972 1 . ALA 44 44 6972 1 . PRO 45 45 6972 1 . LYS 46 46 6972 1 . TYR 47 47 6972 1 . GLU 48 48 6972 1 . GLU 49 49 6972 1 . LEU 50 50 6972 1 . GLY 51 51 6972 1 . ALA 52 52 6972 1 . LEU 53 53 6972 1 . TYR 54 54 6972 1 . ALA 55 55 6972 1 . LYS 56 56 6972 1 . SER 57 57 6972 1 . GLU 58 58 6972 1 . PHE 59 59 6972 1 . LYS 60 60 6972 1 . ASP 61 61 6972 1 . ARG 62 62 6972 1 . VAL 63 63 6972 1 . VAL 64 64 6972 1 . ILE 65 65 6972 1 . ALA 66 66 6972 1 . LYS 67 67 6972 1 . VAL 68 68 6972 1 . ASP 69 69 6972 1 . ALA 70 70 6972 1 . THR 71 71 6972 1 . ALA 72 72 6972 1 . ASN 73 73 6972 1 . ASP 74 74 6972 1 . VAL 75 75 6972 1 . PRO 76 76 6972 1 . ASP 77 77 6972 1 . GLU 78 78 6972 1 . ILE 79 79 6972 1 . GLN 80 80 6972 1 . GLY 81 81 6972 1 . PHE 82 82 6972 1 . PRO 83 83 6972 1 . THR 84 84 6972 1 . ILE 85 85 6972 1 . LYS 86 86 6972 1 . LEU 87 87 6972 1 . TYR 88 88 6972 1 . PRO 89 89 6972 1 . ALA 90 90 6972 1 . GLY 91 91 6972 1 . ALA 92 92 6972 1 . LYS 93 93 6972 1 . GLY 94 94 6972 1 . GLN 95 95 6972 1 . PRO 96 96 6972 1 . VAL 97 97 6972 1 . THR 98 98 6972 1 . TYR 99 99 6972 1 . SER 100 100 6972 1 . GLY 101 101 6972 1 . SER 102 102 6972 1 . ARG 103 103 6972 1 . THR 104 104 6972 1 . VAL 105 105 6972 1 . GLU 106 106 6972 1 . ASP 107 107 6972 1 . LEU 108 108 6972 1 . ILE 109 109 6972 1 . LYS 110 110 6972 1 . PHE 111 111 6972 1 . ILE 112 112 6972 1 . ALA 113 113 6972 1 . GLU 114 114 6972 1 . ASN 115 115 6972 1 . GLY 116 116 6972 1 . LYS 117 117 6972 1 . TYR 118 118 6972 1 . LYS 119 119 6972 1 . ALA 120 120 6972 1 . ALA 121 121 6972 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 6972 _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 $entity-PDI-a . 34413 organism . 'Humicola insolens' 'thermophilic fungus' . . Eukaryota Fungi Humicola insolens . . . . . . . . . . . . . . . . . . . . . 6972 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 6972 _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 $entity-PDI-a . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6972 _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 PDI-a' '[U-13C; U-15N]' . . 1 $entity-PDI-a . . 1 . . mM . . . . 6972 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6972 _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 6.0 0.1 pH 6972 1 temperature 310 1 K 6972 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6972 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6972 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6972 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 2 '1H13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 7 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 8 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 9 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 10 '15N-edited TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 11 H(CC)(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 12 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 13 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 14 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 15 '1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 16 '1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6972 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6972 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6972 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6972 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6972 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6972 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 6 6 GLU H H 1 8.53 0.04 . 1 . . . . 334 GLU H . 6972 1 2 . 1 1 6 6 GLU HA H 1 4.35 0.04 . 1 . . . . 334 GLU HA . 6972 1 3 . 1 1 6 6 GLU C C 13 176.2 0.5 . 1 . . . . 334 GLU C . 6972 1 4 . 1 1 6 6 GLU CA C 13 56.3 0.5 . 1 . . . . 334 GLU CA . 6972 1 5 . 1 1 6 6 GLU CB C 13 29.9 0.5 . 1 . . . . 334 GLU CB . 6972 1 6 . 1 1 6 6 GLU CG C 13 36.9 0.5 . 1 . . . . 334 GLU CG . 6972 1 7 . 1 1 6 6 GLU N N 15 123.6 0.5 . 1 . . . . 334 GLU N . 6972 1 8 . 1 1 7 7 GLY H H 1 8.16 0.04 . 1 . . . . 335 GLY H . 6972 1 9 . 1 1 7 7 GLY HA2 H 1 4.12 0.04 . 1 . . . . 335 GLY HA2 . 6972 1 10 . 1 1 7 7 GLY HA3 H 1 4.12 0.04 . 1 . . . . 335 GLY HA3 . 6972 1 11 . 1 1 7 7 GLY C C 13 172.2 0.5 . 1 . . . . 335 GLY C . 6972 1 12 . 1 1 7 7 GLY CA C 13 44.2 0.5 . 1 . . . . 335 GLY CA . 6972 1 13 . 1 1 7 7 GLY N N 15 111.1 0.5 . 1 . . . . 335 GLY N . 6972 1 14 . 1 1 8 8 PRO HA H 1 4.35 0.04 . 1 . . . . 336 PRO HA . 6972 1 15 . 1 1 8 8 PRO HB2 H 1 2.09 0.04 . 2 . . . . 336 PRO HB2 . 6972 1 16 . 1 1 8 8 PRO HB3 H 1 1.75 0.04 . 2 . . . . 336 PRO HB3 . 6972 1 17 . 1 1 8 8 PRO HG2 H 1 1.87 0.04 . 1 . . . . 336 PRO HG2 . 6972 1 18 . 1 1 8 8 PRO HG3 H 1 1.87 0.04 . 1 . . . . 336 PRO HG3 . 6972 1 19 . 1 1 8 8 PRO HD2 H 1 3.67 0.04 . 2 . . . . 336 PRO HD2 . 6972 1 20 . 1 1 8 8 PRO HD3 H 1 3.36 0.04 . 2 . . . . 336 PRO HD3 . 6972 1 21 . 1 1 8 8 PRO C C 13 175.7 0.5 . 1 . . . . 336 PRO C . 6972 1 22 . 1 1 8 8 PRO CA C 13 63.6 0.5 . 1 . . . . 336 PRO CA . 6972 1 23 . 1 1 8 8 PRO CB C 13 31.2 0.5 . 1 . . . . 336 PRO CB . 6972 1 24 . 1 1 8 8 PRO CD C 13 49.3 0.5 . 1 . . . . 336 PRO CD . 6972 1 25 . 1 1 9 9 VAL H H 1 7.69 0.04 . 1 . . . . 337 VAL H . 6972 1 26 . 1 1 9 9 VAL HA H 1 4.27 0.04 . 1 . . . . 337 VAL HA . 6972 1 27 . 1 1 9 9 VAL HB H 1 2.00 0.04 . 1 . . . . 337 VAL HB . 6972 1 28 . 1 1 9 9 VAL HG11 H 1 0.87 0.04 . 2 . . . . 337 VAL HG1 . 6972 1 29 . 1 1 9 9 VAL HG12 H 1 0.87 0.04 . 2 . . . . 337 VAL HG1 . 6972 1 30 . 1 1 9 9 VAL HG13 H 1 0.87 0.04 . 2 . . . . 337 VAL HG1 . 6972 1 31 . 1 1 9 9 VAL HG21 H 1 0.79 0.04 . 2 . . . . 337 VAL HG2 . 6972 1 32 . 1 1 9 9 VAL HG22 H 1 0.79 0.04 . 2 . . . . 337 VAL HG2 . 6972 1 33 . 1 1 9 9 VAL HG23 H 1 0.79 0.04 . 2 . . . . 337 VAL HG2 . 6972 1 34 . 1 1 9 9 VAL C C 13 175.7 0.5 . 1 . . . . 337 VAL C . 6972 1 35 . 1 1 9 9 VAL CA C 13 61.1 0.5 . 1 . . . . 337 VAL CA . 6972 1 36 . 1 1 9 9 VAL CB C 13 31.8 0.5 . 1 . . . . 337 VAL CB . 6972 1 37 . 1 1 9 9 VAL CG1 C 13 21.0 0.5 . 2 . . . . 337 VAL CG1 . 6972 1 38 . 1 1 9 9 VAL CG2 C 13 22.6 0.5 . 2 . . . . 337 VAL CG2 . 6972 1 39 . 1 1 9 9 VAL N N 15 119.8 0.5 . 1 . . . . 337 VAL N . 6972 1 40 . 1 1 10 10 THR H H 1 9.17 0.04 . 1 . . . . 338 THR H . 6972 1 41 . 1 1 10 10 THR HA H 1 4.08 0.04 . 1 . . . . 338 THR HA . 6972 1 42 . 1 1 10 10 THR HB H 1 3.73 0.04 . 1 . . . . 338 THR HB . 6972 1 43 . 1 1 10 10 THR HG21 H 1 1.09 0.04 . 1 . . . . 338 THR HG2 . 6972 1 44 . 1 1 10 10 THR HG22 H 1 1.09 0.04 . 1 . . . . 338 THR HG2 . 6972 1 45 . 1 1 10 10 THR HG23 H 1 1.09 0.04 . 1 . . . . 338 THR HG2 . 6972 1 46 . 1 1 10 10 THR C C 13 172.8 0.5 . 1 . . . . 338 THR C . 6972 1 47 . 1 1 10 10 THR CA C 13 63.7 0.5 . 1 . . . . 338 THR CA . 6972 1 48 . 1 1 10 10 THR CB C 13 69.2 0.5 . 1 . . . . 338 THR CB . 6972 1 49 . 1 1 10 10 THR CG2 C 13 21.6 0.5 . 1 . . . . 338 THR CG2 . 6972 1 50 . 1 1 10 10 THR N N 15 128.1 0.5 . 1 . . . . 338 THR N . 6972 1 51 . 1 1 11 11 VAL H H 1 8.65 0.04 . 1 . . . . 339 VAL H . 6972 1 52 . 1 1 11 11 VAL HA H 1 4.08 0.04 . 1 . . . . 339 VAL HA . 6972 1 53 . 1 1 11 11 VAL HB H 1 1.99 0.04 . 1 . . . . 339 VAL HB . 6972 1 54 . 1 1 11 11 VAL HG11 H 1 1.01 0.04 . 2 . . . . 339 VAL HG1 . 6972 1 55 . 1 1 11 11 VAL HG12 H 1 1.01 0.04 . 2 . . . . 339 VAL HG1 . 6972 1 56 . 1 1 11 11 VAL HG13 H 1 1.01 0.04 . 2 . . . . 339 VAL HG1 . 6972 1 57 . 1 1 11 11 VAL HG21 H 1 0.90 0.04 . 2 . . . . 339 VAL HG2 . 6972 1 58 . 1 1 11 11 VAL HG22 H 1 0.90 0.04 . 2 . . . . 339 VAL HG2 . 6972 1 59 . 1 1 11 11 VAL HG23 H 1 0.90 0.04 . 2 . . . . 339 VAL HG2 . 6972 1 60 . 1 1 11 11 VAL C C 13 174.7 0.5 . 1 . . . . 339 VAL C . 6972 1 61 . 1 1 11 11 VAL CA C 13 63.5 0.5 . 1 . . . . 339 VAL CA . 6972 1 62 . 1 1 11 11 VAL CB C 13 31.5 0.5 . 1 . . . . 339 VAL CB . 6972 1 63 . 1 1 11 11 VAL CG1 C 13 21.8 0.5 . 2 . . . . 339 VAL CG1 . 6972 1 64 . 1 1 11 11 VAL CG2 C 13 20.9 0.5 . 2 . . . . 339 VAL CG2 . 6972 1 65 . 1 1 11 11 VAL N N 15 130.2 0.5 . 1 . . . . 339 VAL N . 6972 1 66 . 1 1 12 12 VAL H H 1 8.93 0.04 . 1 . . . . 340 VAL H . 6972 1 67 . 1 1 12 12 VAL HA H 1 4.50 0.04 . 1 . . . . 340 VAL HA . 6972 1 68 . 1 1 12 12 VAL HB H 1 1.57 0.04 . 1 . . . . 340 VAL HB . 6972 1 69 . 1 1 12 12 VAL HG11 H 1 0.80 0.04 . 2 . . . . 340 VAL HG1 . 6972 1 70 . 1 1 12 12 VAL HG12 H 1 0.80 0.04 . 2 . . . . 340 VAL HG1 . 6972 1 71 . 1 1 12 12 VAL HG13 H 1 0.80 0.04 . 2 . . . . 340 VAL HG1 . 6972 1 72 . 1 1 12 12 VAL HG21 H 1 0.70 0.04 . 2 . . . . 340 VAL HG2 . 6972 1 73 . 1 1 12 12 VAL HG22 H 1 0.70 0.04 . 2 . . . . 340 VAL HG2 . 6972 1 74 . 1 1 12 12 VAL HG23 H 1 0.70 0.04 . 2 . . . . 340 VAL HG2 . 6972 1 75 . 1 1 12 12 VAL C C 13 173.4 0.5 . 1 . . . . 340 VAL C . 6972 1 76 . 1 1 12 12 VAL CA C 13 60.3 0.5 . 1 . . . . 340 VAL CA . 6972 1 77 . 1 1 12 12 VAL CB C 13 32.7 0.5 . 1 . . . . 340 VAL CB . 6972 1 78 . 1 1 12 12 VAL CG1 C 13 21.3 0.5 . 2 . . . . 340 VAL CG1 . 6972 1 79 . 1 1 12 12 VAL CG2 C 13 23.3 0.5 . 2 . . . . 340 VAL CG2 . 6972 1 80 . 1 1 12 12 VAL N N 15 131.7 0.5 . 1 . . . . 340 VAL N . 6972 1 81 . 1 1 13 13 VAL H H 1 9.11 0.04 . 1 . . . . 341 VAL H . 6972 1 82 . 1 1 13 13 VAL HA H 1 4.36 0.04 . 1 . . . . 341 VAL HA . 6972 1 83 . 1 1 13 13 VAL HB H 1 2.50 0.04 . 1 . . . . 341 VAL HB . 6972 1 84 . 1 1 13 13 VAL HG11 H 1 0.90 0.04 . 1 . . . . 341 VAL HG1 . 6972 1 85 . 1 1 13 13 VAL HG12 H 1 0.90 0.04 . 1 . . . . 341 VAL HG1 . 6972 1 86 . 1 1 13 13 VAL HG13 H 1 0.90 0.04 . 1 . . . . 341 VAL HG1 . 6972 1 87 . 1 1 13 13 VAL HG21 H 1 0.73 0.04 . 1 . . . . 341 VAL HG2 . 6972 1 88 . 1 1 13 13 VAL HG22 H 1 0.73 0.04 . 1 . . . . 341 VAL HG2 . 6972 1 89 . 1 1 13 13 VAL HG23 H 1 0.73 0.04 . 1 . . . . 341 VAL HG2 . 6972 1 90 . 1 1 13 13 VAL C C 13 175.8 0.5 . 1 . . . . 341 VAL C . 6972 1 91 . 1 1 13 13 VAL CA C 13 58.1 0.5 . 1 . . . . 341 VAL CA . 6972 1 92 . 1 1 13 13 VAL CB C 13 34.6 0.5 . 1 . . . . 341 VAL CB . 6972 1 93 . 1 1 13 13 VAL CG1 C 13 22.1 0.5 . 1 . . . . 341 VAL CG1 . 6972 1 94 . 1 1 13 13 VAL CG2 C 13 18.1 0.5 . 1 . . . . 341 VAL CG2 . 6972 1 95 . 1 1 13 13 VAL N N 15 120.1 0.5 . 1 . . . . 341 VAL N . 6972 1 96 . 1 1 14 14 ALA H H 1 8.26 0.04 . 1 . . . . 342 ALA H . 6972 1 97 . 1 1 14 14 ALA HA H 1 3.98 0.04 . 1 . . . . 342 ALA HA . 6972 1 98 . 1 1 14 14 ALA HB1 H 1 1.59 0.04 . 1 . . . . 342 ALA HB . 6972 1 99 . 1 1 14 14 ALA HB2 H 1 1.59 0.04 . 1 . . . . 342 ALA HB . 6972 1 100 . 1 1 14 14 ALA HB3 H 1 1.59 0.04 . 1 . . . . 342 ALA HB . 6972 1 101 . 1 1 14 14 ALA C C 13 180.6 0.5 . 1 . . . . 342 ALA C . 6972 1 102 . 1 1 14 14 ALA CA C 13 56.1 0.5 . 1 . . . . 342 ALA CA . 6972 1 103 . 1 1 14 14 ALA CB C 13 18.3 0.5 . 1 . . . . 342 ALA CB . 6972 1 104 . 1 1 14 14 ALA N N 15 123.5 0.5 . 1 . . . . 342 ALA N . 6972 1 105 . 1 1 15 15 LYS H H 1 8.17 0.04 . 1 . . . . 343 LYS H . 6972 1 106 . 1 1 15 15 LYS HA H 1 4.20 0.04 . 1 . . . . 343 LYS HA . 6972 1 107 . 1 1 15 15 LYS HB2 H 1 1.87 0.04 . 2 . . . . 343 LYS HB2 . 6972 1 108 . 1 1 15 15 LYS HB3 H 1 1.78 0.04 . 2 . . . . 343 LYS HB3 . 6972 1 109 . 1 1 15 15 LYS HG2 H 1 1.47 0.04 . 1 . . . . 343 LYS HG2 . 6972 1 110 . 1 1 15 15 LYS HG3 H 1 1.47 0.04 . 1 . . . . 343 LYS HG3 . 6972 1 111 . 1 1 15 15 LYS C C 13 176.5 0.5 . 1 . . . . 343 LYS C . 6972 1 112 . 1 1 15 15 LYS CA C 13 57.9 0.5 . 1 . . . . 343 LYS CA . 6972 1 113 . 1 1 15 15 LYS CB C 13 32.2 0.5 . 1 . . . . 343 LYS CB . 6972 1 114 . 1 1 15 15 LYS CG C 13 25.5 0.5 . 1 . . . . 343 LYS CG . 6972 1 115 . 1 1 15 15 LYS N N 15 113.0 0.5 . 1 . . . . 343 LYS N . 6972 1 116 . 1 1 16 16 ASN H H 1 7.44 0.04 . 1 . . . . 344 ASN H . 6972 1 117 . 1 1 16 16 ASN HA H 1 5.18 0.04 . 1 . . . . 344 ASN HA . 6972 1 118 . 1 1 16 16 ASN HB2 H 1 3.28 0.04 . 2 . . . . 344 ASN HB2 . 6972 1 119 . 1 1 16 16 ASN HB3 H 1 2.60 0.04 . 2 . . . . 344 ASN HB3 . 6972 1 120 . 1 1 16 16 ASN HD21 H 1 7.44 0.04 . 2 . . . . 344 ASN HD21 . 6972 1 121 . 1 1 16 16 ASN HD22 H 1 6.47 0.04 . 2 . . . . 344 ASN HD22 . 6972 1 122 . 1 1 16 16 ASN C C 13 175.1 0.5 . 1 . . . . 344 ASN C . 6972 1 123 . 1 1 16 16 ASN CA C 13 51.3 0.5 . 1 . . . . 344 ASN CA . 6972 1 124 . 1 1 16 16 ASN CB C 13 38.4 0.5 . 1 . . . . 344 ASN CB . 6972 1 125 . 1 1 16 16 ASN N N 15 115.8 0.5 . 1 . . . . 344 ASN N . 6972 1 126 . 1 1 16 16 ASN ND2 N 15 107.3 0.5 . 1 . . . . 344 ASN ND2 . 6972 1 127 . 1 1 17 17 TYR H H 1 7.38 0.04 . 1 . . . . 345 TYR H . 6972 1 128 . 1 1 17 17 TYR HA H 1 3.73 0.04 . 1 . . . . 345 TYR HA . 6972 1 129 . 1 1 17 17 TYR HB2 H 1 3.06 0.04 . 2 . . . . 345 TYR HB2 . 6972 1 130 . 1 1 17 17 TYR HB3 H 1 2.84 0.04 . 2 . . . . 345 TYR HB3 . 6972 1 131 . 1 1 17 17 TYR HD1 H 1 6.89 0.04 . 1 . . . . 345 TYR HD1 . 6972 1 132 . 1 1 17 17 TYR HD2 H 1 6.89 0.04 . 1 . . . . 345 TYR HD2 . 6972 1 133 . 1 1 17 17 TYR HE1 H 1 6.62 0.04 . 1 . . . . 345 TYR HE1 . 6972 1 134 . 1 1 17 17 TYR HE2 H 1 6.62 0.04 . 1 . . . . 345 TYR HE2 . 6972 1 135 . 1 1 17 17 TYR C C 13 176.8 0.5 . 1 . . . . 345 TYR C . 6972 1 136 . 1 1 17 17 TYR CA C 13 62.4 0.5 . 1 . . . . 345 TYR CA . 6972 1 137 . 1 1 17 17 TYR CB C 13 38.6 0.5 . 1 . . . . 345 TYR CB . 6972 1 138 . 1 1 17 17 TYR N N 15 121.5 0.5 . 1 . . . . 345 TYR N . 6972 1 139 . 1 1 18 18 ASN H H 1 8.95 0.04 . 1 . . . . 346 ASN H . 6972 1 140 . 1 1 18 18 ASN HA H 1 4.09 0.04 . 1 . . . . 346 ASN HA . 6972 1 141 . 1 1 18 18 ASN HB2 H 1 2.88 0.04 . 2 . . . . 346 ASN HB2 . 6972 1 142 . 1 1 18 18 ASN HB3 H 1 2.77 0.04 . 2 . . . . 346 ASN HB3 . 6972 1 143 . 1 1 18 18 ASN HD21 H 1 7.45 0.04 . 2 . . . . 346 ASN HD21 . 6972 1 144 . 1 1 18 18 ASN HD22 H 1 6.66 0.04 . 2 . . . . 346 ASN HD22 . 6972 1 145 . 1 1 18 18 ASN C C 13 177.1 0.5 . 1 . . . . 346 ASN C . 6972 1 146 . 1 1 18 18 ASN CA C 13 56.0 0.5 . 1 . . . . 346 ASN CA . 6972 1 147 . 1 1 18 18 ASN CB C 13 36.5 0.5 . 1 . . . . 346 ASN CB . 6972 1 148 . 1 1 18 18 ASN N N 15 118.7 0.5 . 1 . . . . 346 ASN N . 6972 1 149 . 1 1 18 18 ASN ND2 N 15 111.1 0.5 . 1 . . . . 346 ASN ND2 . 6972 1 150 . 1 1 19 19 GLU H H 1 7.92 0.04 . 1 . . . . 347 GLU H . 6972 1 151 . 1 1 19 19 GLU HA H 1 3.85 0.04 . 1 . . . . 347 GLU HA . 6972 1 152 . 1 1 19 19 GLU HB2 H 1 2.10 0.04 . 2 . . . . 347 GLU HB2 . 6972 1 153 . 1 1 19 19 GLU HB3 H 1 1.96 0.04 . 2 . . . . 347 GLU HB3 . 6972 1 154 . 1 1 19 19 GLU HG2 H 1 2.23 0.04 . 1 . . . . 347 GLU HG2 . 6972 1 155 . 1 1 19 19 GLU HG3 H 1 2.23 0.04 . 1 . . . . 347 GLU HG3 . 6972 1 156 . 1 1 19 19 GLU C C 13 176.6 0.5 . 1 . . . . 347 GLU C . 6972 1 157 . 1 1 19 19 GLU CA C 13 58.1 0.5 . 1 . . . . 347 GLU CA . 6972 1 158 . 1 1 19 19 GLU CB C 13 29.5 0.5 . 1 . . . . 347 GLU CB . 6972 1 159 . 1 1 19 19 GLU CG C 13 37.0 0.5 . 1 . . . . 347 GLU CG . 6972 1 160 . 1 1 19 19 GLU N N 15 119.6 0.5 . 1 . . . . 347 GLU N . 6972 1 161 . 1 1 20 20 ILE H H 1 7.68 0.04 . 1 . . . . 348 ILE H . 6972 1 162 . 1 1 20 20 ILE HA H 1 4.09 0.04 . 1 . . . . 348 ILE HA . 6972 1 163 . 1 1 20 20 ILE HB H 1 1.52 0.04 . 1 . . . . 348 ILE HB . 6972 1 164 . 1 1 20 20 ILE HG12 H 1 1.43 0.04 . 2 . . . . 348 ILE HG12 . 6972 1 165 . 1 1 20 20 ILE HG13 H 1 1.27 0.04 . 2 . . . . 348 ILE HG13 . 6972 1 166 . 1 1 20 20 ILE HG21 H 1 0.55 0.04 . 1 . . . . 348 ILE HG2 . 6972 1 167 . 1 1 20 20 ILE HG22 H 1 0.55 0.04 . 1 . . . . 348 ILE HG2 . 6972 1 168 . 1 1 20 20 ILE HG23 H 1 0.55 0.04 . 1 . . . . 348 ILE HG2 . 6972 1 169 . 1 1 20 20 ILE HD11 H 1 0.69 0.04 . 1 . . . . 348 ILE HD1 . 6972 1 170 . 1 1 20 20 ILE HD12 H 1 0.69 0.04 . 1 . . . . 348 ILE HD1 . 6972 1 171 . 1 1 20 20 ILE HD13 H 1 0.69 0.04 . 1 . . . . 348 ILE HD1 . 6972 1 172 . 1 1 20 20 ILE C C 13 176.6 0.5 . 1 . . . . 348 ILE C . 6972 1 173 . 1 1 20 20 ILE CA C 13 61.4 0.5 . 1 . . . . 348 ILE CA . 6972 1 174 . 1 1 20 20 ILE CB C 13 37.9 0.5 . 1 . . . . 348 ILE CB . 6972 1 175 . 1 1 20 20 ILE CG1 C 13 27.5 0.5 . 1 . . . . 348 ILE CG1 . 6972 1 176 . 1 1 20 20 ILE CG2 C 13 16.3 0.5 . 1 . . . . 348 ILE CG2 . 6972 1 177 . 1 1 20 20 ILE CD1 C 13 11.1 0.5 . 1 . . . . 348 ILE CD1 . 6972 1 178 . 1 1 20 20 ILE N N 15 116.5 0.5 . 1 . . . . 348 ILE N . 6972 1 179 . 1 1 21 21 VAL H H 1 8.35 0.04 . 1 . . . . 349 VAL H . 6972 1 180 . 1 1 21 21 VAL HA H 1 3.18 0.04 . 1 . . . . 349 VAL HA . 6972 1 181 . 1 1 21 21 VAL HB H 1 0.94 0.04 . 1 . . . . 349 VAL HB . 6972 1 182 . 1 1 21 21 VAL HG11 H 1 0.15 0.04 . 2 . . . . 349 VAL HG1 . 6972 1 183 . 1 1 21 21 VAL HG12 H 1 0.15 0.04 . 2 . . . . 349 VAL HG1 . 6972 1 184 . 1 1 21 21 VAL HG13 H 1 0.15 0.04 . 2 . . . . 349 VAL HG1 . 6972 1 185 . 1 1 21 21 VAL HG21 H 1 -0.12 0.04 . 2 . . . . 349 VAL HG2 . 6972 1 186 . 1 1 21 21 VAL HG22 H 1 -0.12 0.04 . 2 . . . . 349 VAL HG2 . 6972 1 187 . 1 1 21 21 VAL HG23 H 1 -0.12 0.04 . 2 . . . . 349 VAL HG2 . 6972 1 188 . 1 1 21 21 VAL C C 13 177.2 0.5 . 1 . . . . 349 VAL C . 6972 1 189 . 1 1 21 21 VAL CA C 13 65.6 0.5 . 1 . . . . 349 VAL CA . 6972 1 190 . 1 1 21 21 VAL CB C 13 30.6 0.5 . 1 . . . . 349 VAL CB . 6972 1 191 . 1 1 21 21 VAL CG1 C 13 23.3 0.5 . 2 . . . . 349 VAL CG1 . 6972 1 192 . 1 1 21 21 VAL CG2 C 13 20.5 0.5 . 2 . . . . 349 VAL CG2 . 6972 1 193 . 1 1 21 21 VAL N N 15 118.0 0.5 . 1 . . . . 349 VAL N . 6972 1 194 . 1 1 22 22 LEU H H 1 6.78 0.04 . 1 . . . . 350 LEU H . 6972 1 195 . 1 1 22 22 LEU HA H 1 4.09 0.04 . 1 . . . . 350 LEU HA . 6972 1 196 . 1 1 22 22 LEU HB2 H 1 2.12 0.04 . 2 . . . . 350 LEU HB2 . 6972 1 197 . 1 1 22 22 LEU HB3 H 1 1.65 0.04 . 2 . . . . 350 LEU HB3 . 6972 1 198 . 1 1 22 22 LEU HG H 1 1.44 0.04 . 1 . . . . 350 LEU HG . 6972 1 199 . 1 1 22 22 LEU HD11 H 1 1.40 0.04 . 1 . . . . 350 LEU HD1 . 6972 1 200 . 1 1 22 22 LEU HD12 H 1 1.40 0.04 . 1 . . . . 350 LEU HD1 . 6972 1 201 . 1 1 22 22 LEU HD13 H 1 1.40 0.04 . 1 . . . . 350 LEU HD1 . 6972 1 202 . 1 1 22 22 LEU HD21 H 1 1.40 0.04 . 1 . . . . 350 LEU HD2 . 6972 1 203 . 1 1 22 22 LEU HD22 H 1 1.40 0.04 . 1 . . . . 350 LEU HD2 . 6972 1 204 . 1 1 22 22 LEU HD23 H 1 1.40 0.04 . 1 . . . . 350 LEU HD2 . 6972 1 205 . 1 1 22 22 LEU C C 13 174.7 0.5 . 1 . . . . 350 LEU C . 6972 1 206 . 1 1 22 22 LEU CA C 13 53.0 0.5 . 1 . . . . 350 LEU CA . 6972 1 207 . 1 1 22 22 LEU CB C 13 38.0 0.5 . 1 . . . . 350 LEU CB . 6972 1 208 . 1 1 22 22 LEU CG C 13 26.8 0.5 . 1 . . . . 350 LEU CG . 6972 1 209 . 1 1 22 22 LEU CD1 C 13 25.0 0.5 . 1 . . . . 350 LEU CD1 . 6972 1 210 . 1 1 22 22 LEU CD2 C 13 25.0 0.5 . 1 . . . . 350 LEU CD2 . 6972 1 211 . 1 1 22 22 LEU N N 15 115.9 0.5 . 1 . . . . 350 LEU N . 6972 1 212 . 1 1 23 23 ASP H H 1 6.17 0.04 . 1 . . . . 351 ASP H . 6972 1 213 . 1 1 23 23 ASP HA H 1 4.37 0.04 . 1 . . . . 351 ASP HA . 6972 1 214 . 1 1 23 23 ASP HB2 H 1 2.83 0.04 . 2 . . . . 351 ASP HB2 . 6972 1 215 . 1 1 23 23 ASP HB3 H 1 2.68 0.04 . 2 . . . . 351 ASP HB3 . 6972 1 216 . 1 1 23 23 ASP C C 13 177.1 0.5 . 1 . . . . 351 ASP C . 6972 1 217 . 1 1 23 23 ASP CA C 13 53.4 0.5 . 1 . . . . 351 ASP CA . 6972 1 218 . 1 1 23 23 ASP CB C 13 40.0 0.5 . 1 . . . . 351 ASP CB . 6972 1 219 . 1 1 23 23 ASP N N 15 117.8 0.5 . 1 . . . . 351 ASP N . 6972 1 220 . 1 1 24 24 ASP H H 1 8.88 0.04 . 1 . . . . 352 ASP H . 6972 1 221 . 1 1 24 24 ASP HA H 1 4.72 0.04 . 1 . . . . 352 ASP HA . 6972 1 222 . 1 1 24 24 ASP HB2 H 1 2.67 0.04 . 1 . . . . 352 ASP HB2 . 6972 1 223 . 1 1 24 24 ASP HB3 H 1 2.67 0.04 . 1 . . . . 352 ASP HB3 . 6972 1 224 . 1 1 24 24 ASP C C 13 176.1 0.5 . 1 . . . . 352 ASP C . 6972 1 225 . 1 1 24 24 ASP CA C 13 55.7 0.5 . 1 . . . . 352 ASP CA . 6972 1 226 . 1 1 24 24 ASP CB C 13 41.7 0.5 . 1 . . . . 352 ASP CB . 6972 1 227 . 1 1 24 24 ASP N N 15 130.9 0.5 . 1 . . . . 352 ASP N . 6972 1 228 . 1 1 25 25 THR H H 1 8.55 0.04 . 1 . . . . 353 THR H . 6972 1 229 . 1 1 25 25 THR HA H 1 4.45 0.04 . 1 . . . . 353 THR HA . 6972 1 230 . 1 1 25 25 THR HB H 1 4.40 0.04 . 1 . . . . 353 THR HB . 6972 1 231 . 1 1 25 25 THR HG21 H 1 1.25 0.04 . 1 . . . . 353 THR HG2 . 6972 1 232 . 1 1 25 25 THR HG22 H 1 1.25 0.04 . 1 . . . . 353 THR HG2 . 6972 1 233 . 1 1 25 25 THR HG23 H 1 1.25 0.04 . 1 . . . . 353 THR HG2 . 6972 1 234 . 1 1 25 25 THR C C 13 175.6 0.5 . 1 . . . . 353 THR C . 6972 1 235 . 1 1 25 25 THR CA C 13 61.8 0.5 . 1 . . . . 353 THR CA . 6972 1 236 . 1 1 25 25 THR CB C 13 69.4 0.5 . 1 . . . . 353 THR CB . 6972 1 237 . 1 1 25 25 THR CG2 C 13 21.4 0.5 . 1 . . . . 353 THR CG2 . 6972 1 238 . 1 1 25 25 THR N N 15 108.0 0.5 . 1 . . . . 353 THR N . 6972 1 239 . 1 1 26 26 LYS H H 1 7.74 0.04 . 1 . . . . 354 LYS H . 6972 1 240 . 1 1 26 26 LYS HA H 1 5.18 0.04 . 1 . . . . 354 LYS HA . 6972 1 241 . 1 1 26 26 LYS HB2 H 1 1.34 0.04 . 1 . . . . 354 LYS HB2 . 6972 1 242 . 1 1 26 26 LYS HB3 H 1 1.34 0.04 . 1 . . . . 354 LYS HB3 . 6972 1 243 . 1 1 26 26 LYS HE2 H 1 3.18 0.04 . 1 . . . . 354 LYS HE2 . 6972 1 244 . 1 1 26 26 LYS HE3 H 1 3.18 0.04 . 1 . . . . 354 LYS HE3 . 6972 1 245 . 1 1 26 26 LYS C C 13 176.2 0.5 . 1 . . . . 354 LYS C . 6972 1 246 . 1 1 26 26 LYS CA C 13 54.3 0.5 . 1 . . . . 354 LYS CA . 6972 1 247 . 1 1 26 26 LYS CB C 13 35.8 0.5 . 1 . . . . 354 LYS CB . 6972 1 248 . 1 1 26 26 LYS N N 15 122.2 0.5 . 1 . . . . 354 LYS N . 6972 1 249 . 1 1 27 27 ASP H H 1 8.85 0.04 . 1 . . . . 355 ASP H . 6972 1 250 . 1 1 27 27 ASP HA H 1 4.94 0.04 . 1 . . . . 355 ASP HA . 6972 1 251 . 1 1 27 27 ASP HB2 H 1 2.87 0.04 . 2 . . . . 355 ASP HB2 . 6972 1 252 . 1 1 27 27 ASP HB3 H 1 2.25 0.04 . 2 . . . . 355 ASP HB3 . 6972 1 253 . 1 1 27 27 ASP C C 13 174.7 0.5 . 1 . . . . 355 ASP C . 6972 1 254 . 1 1 27 27 ASP CA C 13 54.3 0.5 . 1 . . . . 355 ASP CA . 6972 1 255 . 1 1 27 27 ASP CB C 13 42.2 0.5 . 1 . . . . 355 ASP CB . 6972 1 256 . 1 1 27 27 ASP N N 15 125.4 0.5 . 1 . . . . 355 ASP N . 6972 1 257 . 1 1 28 28 VAL H H 1 7.62 0.04 . 1 . . . . 356 VAL H . 6972 1 258 . 1 1 28 28 VAL HA H 1 4.77 0.04 . 1 . . . . 356 VAL HA . 6972 1 259 . 1 1 28 28 VAL HB H 1 2.08 0.04 . 1 . . . . 356 VAL HB . 6972 1 260 . 1 1 28 28 VAL HG11 H 1 0.96 0.04 . 2 . . . . 356 VAL HG1 . 6972 1 261 . 1 1 28 28 VAL HG12 H 1 0.96 0.04 . 2 . . . . 356 VAL HG1 . 6972 1 262 . 1 1 28 28 VAL HG13 H 1 0.96 0.04 . 2 . . . . 356 VAL HG1 . 6972 1 263 . 1 1 28 28 VAL HG21 H 1 0.64 0.04 . 2 . . . . 356 VAL HG2 . 6972 1 264 . 1 1 28 28 VAL HG22 H 1 0.64 0.04 . 2 . . . . 356 VAL HG2 . 6972 1 265 . 1 1 28 28 VAL HG23 H 1 0.64 0.04 . 2 . . . . 356 VAL HG2 . 6972 1 266 . 1 1 28 28 VAL C C 13 173.5 0.5 . 1 . . . . 356 VAL C . 6972 1 267 . 1 1 28 28 VAL CA C 13 60.5 0.5 . 1 . . . . 356 VAL CA . 6972 1 268 . 1 1 28 28 VAL CB C 13 33.6 0.5 . 1 . . . . 356 VAL CB . 6972 1 269 . 1 1 28 28 VAL CG1 C 13 19.4 0.5 . 2 . . . . 356 VAL CG1 . 6972 1 270 . 1 1 28 28 VAL CG2 C 13 19.9 0.5 . 2 . . . . 356 VAL CG2 . 6972 1 271 . 1 1 28 28 VAL N N 15 123.1 0.5 . 1 . . . . 356 VAL N . 6972 1 272 . 1 1 29 29 LEU H H 1 9.25 0.04 . 1 . . . . 357 LEU H . 6972 1 273 . 1 1 29 29 LEU HA H 1 5.16 0.04 . 1 . . . . 357 LEU HA . 6972 1 274 . 1 1 29 29 LEU HB2 H 1 2.22 0.04 . 2 . . . . 357 LEU HB2 . 6972 1 275 . 1 1 29 29 LEU HB3 H 1 0.89 0.04 . 2 . . . . 357 LEU HB3 . 6972 1 276 . 1 1 29 29 LEU HG H 1 1.79 0.04 . 1 . . . . 357 LEU HG . 6972 1 277 . 1 1 29 29 LEU HD11 H 1 0.96 0.04 . 1 . . . . 357 LEU HD1 . 6972 1 278 . 1 1 29 29 LEU HD12 H 1 0.96 0.04 . 1 . . . . 357 LEU HD1 . 6972 1 279 . 1 1 29 29 LEU HD13 H 1 0.96 0.04 . 1 . . . . 357 LEU HD1 . 6972 1 280 . 1 1 29 29 LEU HD21 H 1 0.96 0.04 . 1 . . . . 357 LEU HD2 . 6972 1 281 . 1 1 29 29 LEU HD22 H 1 0.96 0.04 . 1 . . . . 357 LEU HD2 . 6972 1 282 . 1 1 29 29 LEU HD23 H 1 0.96 0.04 . 1 . . . . 357 LEU HD2 . 6972 1 283 . 1 1 29 29 LEU C C 13 173.1 0.5 . 1 . . . . 357 LEU C . 6972 1 284 . 1 1 29 29 LEU CA C 13 52.9 0.5 . 1 . . . . 357 LEU CA . 6972 1 285 . 1 1 29 29 LEU CB C 13 43.9 0.5 . 1 . . . . 357 LEU CB . 6972 1 286 . 1 1 29 29 LEU N N 15 133.7 0.5 . 1 . . . . 357 LEU N . 6972 1 287 . 1 1 30 30 ILE H H 1 9.73 0.04 . 1 . . . . 358 ILE H . 6972 1 288 . 1 1 30 30 ILE HA H 1 5.00 0.04 . 1 . . . . 358 ILE HA . 6972 1 289 . 1 1 30 30 ILE HB H 1 1.25 0.04 . 1 . . . . 358 ILE HB . 6972 1 290 . 1 1 30 30 ILE HG12 H 1 0.54 0.04 . 2 . . . . 358 ILE HG12 . 6972 1 291 . 1 1 30 30 ILE HG13 H 1 0.28 0.04 . 2 . . . . 358 ILE HG13 . 6972 1 292 . 1 1 30 30 ILE HG21 H 1 1.13 0.04 . 1 . . . . 358 ILE HG2 . 6972 1 293 . 1 1 30 30 ILE HG22 H 1 1.13 0.04 . 1 . . . . 358 ILE HG2 . 6972 1 294 . 1 1 30 30 ILE HG23 H 1 1.13 0.04 . 1 . . . . 358 ILE HG2 . 6972 1 295 . 1 1 30 30 ILE HD11 H 1 0.37 0.04 . 1 . . . . 358 ILE HD1 . 6972 1 296 . 1 1 30 30 ILE HD12 H 1 0.37 0.04 . 1 . . . . 358 ILE HD1 . 6972 1 297 . 1 1 30 30 ILE HD13 H 1 0.37 0.04 . 1 . . . . 358 ILE HD1 . 6972 1 298 . 1 1 30 30 ILE C C 13 171.0 0.5 . 1 . . . . 358 ILE C . 6972 1 299 . 1 1 30 30 ILE CA C 13 56.5 0.5 . 1 . . . . 358 ILE CA . 6972 1 300 . 1 1 30 30 ILE CB C 13 42.3 0.5 . 1 . . . . 358 ILE CB . 6972 1 301 . 1 1 30 30 ILE CG1 C 13 28.1 0.5 . 1 . . . . 358 ILE CG1 . 6972 1 302 . 1 1 30 30 ILE CG2 C 13 16.0 0.5 . 1 . . . . 358 ILE CG2 . 6972 1 303 . 1 1 30 30 ILE CD1 C 13 14.9 0.5 . 1 . . . . 358 ILE CD1 . 6972 1 304 . 1 1 30 30 ILE N N 15 126.0 0.5 . 1 . . . . 358 ILE N . 6972 1 305 . 1 1 31 31 GLU H H 1 7.95 0.04 . 1 . . . . 359 GLU H . 6972 1 306 . 1 1 31 31 GLU HA H 1 4.92 0.04 . 1 . . . . 359 GLU HA . 6972 1 307 . 1 1 31 31 GLU HB2 H 1 1.88 0.04 . 1 . . . . 359 GLU HB2 . 6972 1 308 . 1 1 31 31 GLU HB3 H 1 1.88 0.04 . 1 . . . . 359 GLU HB3 . 6972 1 309 . 1 1 31 31 GLU C C 13 173.7 0.5 . 1 . . . . 359 GLU C . 6972 1 310 . 1 1 31 31 GLU CA C 13 53.0 0.5 . 1 . . . . 359 GLU CA . 6972 1 311 . 1 1 31 31 GLU CB C 13 28.5 0.5 . 1 . . . . 359 GLU CB . 6972 1 312 . 1 1 31 31 GLU CG C 13 32.0 0.5 . 1 . . . . 359 GLU CG . 6972 1 313 . 1 1 31 31 GLU N N 15 128.4 0.5 . 1 . . . . 359 GLU N . 6972 1 314 . 1 1 32 32 PHE H H 1 9.88 0.04 . 1 . . . . 360 PHE H . 6972 1 315 . 1 1 32 32 PHE HA H 1 5.27 0.04 . 1 . . . . 360 PHE HA . 6972 1 316 . 1 1 32 32 PHE HB2 H 1 3.33 0.04 . 1 . . . . 360 PHE HB2 . 6972 1 317 . 1 1 32 32 PHE HB3 H 1 3.33 0.04 . 1 . . . . 360 PHE HB3 . 6972 1 318 . 1 1 32 32 PHE HD1 H 1 7.21 0.04 . 1 . . . . 360 PHE HD1 . 6972 1 319 . 1 1 32 32 PHE HD2 H 1 7.21 0.04 . 1 . . . . 360 PHE HD2 . 6972 1 320 . 1 1 32 32 PHE C C 13 174.8 0.5 . 1 . . . . 360 PHE C . 6972 1 321 . 1 1 32 32 PHE CA C 13 55.6 0.5 . 1 . . . . 360 PHE CA . 6972 1 322 . 1 1 32 32 PHE CB C 13 39.1 0.5 . 1 . . . . 360 PHE CB . 6972 1 323 . 1 1 32 32 PHE N N 15 129.6 0.5 . 1 . . . . 360 PHE N . 6972 1 324 . 1 1 33 33 TYR H H 1 8.83 0.04 . 1 . . . . 361 TYR H . 6972 1 325 . 1 1 33 33 TYR HA H 1 5.37 0.04 . 1 . . . . 361 TYR HA . 6972 1 326 . 1 1 33 33 TYR HB2 H 1 2.85 0.04 . 2 . . . . 361 TYR HB2 . 6972 1 327 . 1 1 33 33 TYR HB3 H 1 2.48 0.04 . 2 . . . . 361 TYR HB3 . 6972 1 328 . 1 1 33 33 TYR HD1 H 1 6.52 0.04 . 1 . . . . 361 TYR HD1 . 6972 1 329 . 1 1 33 33 TYR HD2 H 1 6.52 0.04 . 1 . . . . 361 TYR HD2 . 6972 1 330 . 1 1 33 33 TYR HE1 H 1 6.39 0.04 . 1 . . . . 361 TYR HE1 . 6972 1 331 . 1 1 33 33 TYR HE2 H 1 6.39 0.04 . 1 . . . . 361 TYR HE2 . 6972 1 332 . 1 1 33 33 TYR C C 13 170.0 0.5 . 1 . . . . 361 TYR C . 6972 1 333 . 1 1 33 33 TYR CA C 13 54.5 0.5 . 1 . . . . 361 TYR CA . 6972 1 334 . 1 1 33 33 TYR CB C 13 42.1 0.5 . 1 . . . . 361 TYR CB . 6972 1 335 . 1 1 33 33 TYR N N 15 121.9 0.5 . 1 . . . . 361 TYR N . 6972 1 336 . 1 1 34 34 ALA H H 1 6.97 0.04 . 1 . . . . 362 ALA H . 6972 1 337 . 1 1 34 34 ALA HA H 1 4.25 0.04 . 1 . . . . 362 ALA HA . 6972 1 338 . 1 1 34 34 ALA HB1 H 1 -0.76 0.04 . 1 . . . . 362 ALA HB . 6972 1 339 . 1 1 34 34 ALA HB2 H 1 -0.76 0.04 . 1 . . . . 362 ALA HB . 6972 1 340 . 1 1 34 34 ALA HB3 H 1 -0.76 0.04 . 1 . . . . 362 ALA HB . 6972 1 341 . 1 1 34 34 ALA C C 13 176.6 0.5 . 1 . . . . 362 ALA C . 6972 1 342 . 1 1 34 34 ALA CA C 13 47.0 0.5 . 1 . . . . 362 ALA CA . 6972 1 343 . 1 1 34 34 ALA CB C 13 19.0 0.5 . 1 . . . . 362 ALA CB . 6972 1 344 . 1 1 34 34 ALA N N 15 120.7 0.5 . 1 . . . . 362 ALA N . 6972 1 345 . 1 1 35 35 PRO HA H 1 4.25 0.04 . 1 . . . . 363 PRO HA . 6972 1 346 . 1 1 35 35 PRO HB2 H 1 2.34 0.04 . 2 . . . . 363 PRO HB2 . 6972 1 347 . 1 1 35 35 PRO HB3 H 1 2.02 0.04 . 2 . . . . 363 PRO HB3 . 6972 1 348 . 1 1 35 35 PRO HG2 H 1 2.05 0.04 . 1 . . . . 363 PRO HG2 . 6972 1 349 . 1 1 35 35 PRO HG3 H 1 2.05 0.04 . 1 . . . . 363 PRO HG3 . 6972 1 350 . 1 1 35 35 PRO HD2 H 1 3.43 0.04 . 2 . . . . 363 PRO HD2 . 6972 1 351 . 1 1 35 35 PRO HD3 H 1 3.16 0.04 . 2 . . . . 363 PRO HD3 . 6972 1 352 . 1 1 35 35 PRO C C 13 175.3 0.5 . 1 . . . . 363 PRO C . 6972 1 353 . 1 1 35 35 PRO CA C 13 63.9 0.5 . 1 . . . . 363 PRO CA . 6972 1 354 . 1 1 35 35 PRO CB C 13 31.3 0.5 . 1 . . . . 363 PRO CB . 6972 1 355 . 1 1 35 35 PRO CG C 13 27.0 0.5 . 1 . . . . 363 PRO CG . 6972 1 356 . 1 1 35 35 PRO CD C 13 50.8 0.5 . 1 . . . . 363 PRO CD . 6972 1 357 . 1 1 36 36 TRP H H 1 5.92 0.04 . 1 . . . . 364 TRP H . 6972 1 358 . 1 1 36 36 TRP HA H 1 4.60 0.04 . 1 . . . . 364 TRP HA . 6972 1 359 . 1 1 36 36 TRP HB2 H 1 3.58 0.04 . 2 . . . . 364 TRP HB2 . 6972 1 360 . 1 1 36 36 TRP HB3 H 1 3.22 0.04 . 2 . . . . 364 TRP HB3 . 6972 1 361 . 1 1 36 36 TRP HE1 H 1 10.32 0.04 . 1 . . . . 364 TRP HE1 . 6972 1 362 . 1 1 36 36 TRP C C 13 175.6 0.5 . 1 . . . . 364 TRP C . 6972 1 363 . 1 1 36 36 TRP CA C 13 53.4 0.5 . 1 . . . . 364 TRP CA . 6972 1 364 . 1 1 36 36 TRP CB C 13 28.6 0.5 . 1 . . . . 364 TRP CB . 6972 1 365 . 1 1 36 36 TRP N N 15 111.1 0.5 . 1 . . . . 364 TRP N . 6972 1 366 . 1 1 36 36 TRP NE1 N 15 131.4 0.5 . 1 . . . . 364 TRP NE1 . 6972 1 367 . 1 1 37 37 CYS H H 1 6.60 0.04 . 1 . . . . 365 CYS H . 6972 1 368 . 1 1 37 37 CYS HA H 1 4.42 0.04 . 1 . . . . 365 CYS HA . 6972 1 369 . 1 1 37 37 CYS HB2 H 1 2.66 0.04 . 2 . . . . 365 CYS HB2 . 6972 1 370 . 1 1 37 37 CYS HB3 H 1 2.30 0.04 . 2 . . . . 365 CYS HB3 . 6972 1 371 . 1 1 37 37 CYS CA C 13 59.5 0.5 . 1 . . . . 365 CYS CA . 6972 1 372 . 1 1 37 37 CYS CB C 13 29.2 0.5 . 1 . . . . 365 CYS CB . 6972 1 373 . 1 1 37 37 CYS N N 15 126.8 0.5 . 1 . . . . 365 CYS N . 6972 1 374 . 1 1 38 38 GLY H H 1 9.11 0.04 . 1 . . . . 366 GLY H . 6972 1 375 . 1 1 38 38 GLY HA2 H 1 4.05 0.04 . 2 . . . . 366 GLY HA2 . 6972 1 376 . 1 1 38 38 GLY HA3 H 1 3.83 0.04 . 2 . . . . 366 GLY HA3 . 6972 1 377 . 1 1 38 38 GLY CA C 13 47.3 0.5 . 1 . . . . 366 GLY CA . 6972 1 378 . 1 1 38 38 GLY N N 15 120.1 0.5 . 1 . . . . 366 GLY N . 6972 1 379 . 1 1 39 39 HIS HA H 1 4.68 0.04 . 1 . . . . 367 HIS HA . 6972 1 380 . 1 1 39 39 HIS HB2 H 1 3.53 0.04 . 2 . . . . 367 HIS HB2 . 6972 1 381 . 1 1 39 39 HIS HB3 H 1 3.09 0.04 . 2 . . . . 367 HIS HB3 . 6972 1 382 . 1 1 39 39 HIS HE1 H 1 8.01 0.04 . 1 . . . . 367 HIS HE1 . 6972 1 383 . 1 1 39 39 HIS C C 13 179.7 0.5 . 1 . . . . 367 HIS C . 6972 1 384 . 1 1 39 39 HIS CA C 13 58.5 0.5 . 1 . . . . 367 HIS CA . 6972 1 385 . 1 1 39 39 HIS CB C 13 29.9 0.5 . 1 . . . . 367 HIS CB . 6972 1 386 . 1 1 39 39 HIS CE1 C 13 138.5 0.5 . 1 . . . . 367 HIS CE1 . 6972 1 387 . 1 1 40 40 CYS H H 1 9.80 0.04 . 1 . . . . 368 CYS H . 6972 1 388 . 1 1 40 40 CYS HA H 1 3.97 0.04 . 1 . . . . 368 CYS HA . 6972 1 389 . 1 1 40 40 CYS HB2 H 1 3.44 0.04 . 2 . . . . 368 CYS HB2 . 6972 1 390 . 1 1 40 40 CYS HB3 H 1 2.67 0.04 . 2 . . . . 368 CYS HB3 . 6972 1 391 . 1 1 40 40 CYS C C 13 178.1 0.5 . 1 . . . . 368 CYS C . 6972 1 392 . 1 1 40 40 CYS CA C 13 63.9 0.5 . 1 . . . . 368 CYS CA . 6972 1 393 . 1 1 40 40 CYS CB C 13 28.2 0.5 . 1 . . . . 368 CYS CB . 6972 1 394 . 1 1 40 40 CYS N N 15 128.7 0.5 . 1 . . . . 368 CYS N . 6972 1 395 . 1 1 41 41 LYS H H 1 8.62 0.04 . 1 . . . . 369 LYS H . 6972 1 396 . 1 1 41 41 LYS HA H 1 3.93 0.04 . 1 . . . . 369 LYS HA . 6972 1 397 . 1 1 41 41 LYS HB2 H 1 1.85 0.04 . 1 . . . . 369 LYS HB2 . 6972 1 398 . 1 1 41 41 LYS HB3 H 1 1.85 0.04 . 1 . . . . 369 LYS HB3 . 6972 1 399 . 1 1 41 41 LYS HG2 H 1 1.55 0.04 . 2 . . . . 369 LYS HG2 . 6972 1 400 . 1 1 41 41 LYS HG3 H 1 1.38 0.04 . 2 . . . . 369 LYS HG3 . 6972 1 401 . 1 1 41 41 LYS HE2 H 1 2.94 0.04 . 1 . . . . 369 LYS HE2 . 6972 1 402 . 1 1 41 41 LYS HE3 H 1 2.94 0.04 . 1 . . . . 369 LYS HE3 . 6972 1 403 . 1 1 41 41 LYS C C 13 178.4 0.5 . 1 . . . . 369 LYS C . 6972 1 404 . 1 1 41 41 LYS CA C 13 59.6 0.5 . 1 . . . . 369 LYS CA . 6972 1 405 . 1 1 41 41 LYS CB C 13 31.9 0.5 . 1 . . . . 369 LYS CB . 6972 1 406 . 1 1 41 41 LYS CG C 13 24.8 0.5 . 1 . . . . 369 LYS CG . 6972 1 407 . 1 1 41 41 LYS N N 15 124.0 0.5 . 1 . . . . 369 LYS N . 6972 1 408 . 1 1 42 42 ALA H H 1 7.59 0.04 . 1 . . . . 370 ALA H . 6972 1 409 . 1 1 42 42 ALA HA H 1 4.17 0.04 . 1 . . . . 370 ALA HA . 6972 1 410 . 1 1 42 42 ALA HB1 H 1 1.55 0.04 . 1 . . . . 370 ALA HB . 6972 1 411 . 1 1 42 42 ALA HB2 H 1 1.55 0.04 . 1 . . . . 370 ALA HB . 6972 1 412 . 1 1 42 42 ALA HB3 H 1 1.55 0.04 . 1 . . . . 370 ALA HB . 6972 1 413 . 1 1 42 42 ALA C C 13 178.9 0.5 . 1 . . . . 370 ALA C . 6972 1 414 . 1 1 42 42 ALA CA C 13 54.1 0.5 . 1 . . . . 370 ALA CA . 6972 1 415 . 1 1 42 42 ALA CB C 13 17.9 0.5 . 1 . . . . 370 ALA CB . 6972 1 416 . 1 1 42 42 ALA N N 15 121.0 0.5 . 1 . . . . 370 ALA N . 6972 1 417 . 1 1 43 43 LEU H H 1 7.35 0.04 . 1 . . . . 371 LEU H . 6972 1 418 . 1 1 43 43 LEU HA H 1 4.33 0.04 . 1 . . . . 371 LEU HA . 6972 1 419 . 1 1 43 43 LEU HB2 H 1 1.78 0.04 . 2 . . . . 371 LEU HB2 . 6972 1 420 . 1 1 43 43 LEU HB3 H 1 1.59 0.04 . 2 . . . . 371 LEU HB3 . 6972 1 421 . 1 1 43 43 LEU HG H 1 0.84 0.04 . 1 . . . . 371 LEU HG . 6972 1 422 . 1 1 43 43 LEU HD11 H 1 0.99 0.04 . 2 . . . . 371 LEU HD1 . 6972 1 423 . 1 1 43 43 LEU HD12 H 1 0.99 0.04 . 2 . . . . 371 LEU HD1 . 6972 1 424 . 1 1 43 43 LEU HD13 H 1 0.99 0.04 . 2 . . . . 371 LEU HD1 . 6972 1 425 . 1 1 43 43 LEU HD21 H 1 0.77 0.04 . 2 . . . . 371 LEU HD2 . 6972 1 426 . 1 1 43 43 LEU HD22 H 1 0.77 0.04 . 2 . . . . 371 LEU HD2 . 6972 1 427 . 1 1 43 43 LEU HD23 H 1 0.77 0.04 . 2 . . . . 371 LEU HD2 . 6972 1 428 . 1 1 43 43 LEU C C 13 177.2 0.5 . 1 . . . . 371 LEU C . 6972 1 429 . 1 1 43 43 LEU CA C 13 55.0 0.5 . 1 . . . . 371 LEU CA . 6972 1 430 . 1 1 43 43 LEU CB C 13 42.5 0.5 . 1 . . . . 371 LEU CB . 6972 1 431 . 1 1 43 43 LEU CG C 13 26.5 0.5 . 1 . . . . 371 LEU CG . 6972 1 432 . 1 1 43 43 LEU N N 15 117.2 0.5 . 1 . . . . 371 LEU N . 6972 1 433 . 1 1 44 44 ALA H H 1 7.35 0.04 . 1 . . . . 372 ALA H . 6972 1 434 . 1 1 44 44 ALA HA H 1 4.14 0.04 . 1 . . . . 372 ALA HA . 6972 1 435 . 1 1 44 44 ALA HB1 H 1 1.43 0.04 . 1 . . . . 372 ALA HB . 6972 1 436 . 1 1 44 44 ALA HB2 H 1 1.43 0.04 . 1 . . . . 372 ALA HB . 6972 1 437 . 1 1 44 44 ALA HB3 H 1 1.43 0.04 . 1 . . . . 372 ALA HB . 6972 1 438 . 1 1 44 44 ALA CA C 13 57.0 0.5 . 1 . . . . 372 ALA CA . 6972 1 439 . 1 1 44 44 ALA CB C 13 15.1 0.5 . 1 . . . . 372 ALA CB . 6972 1 440 . 1 1 44 44 ALA N N 15 122.0 0.5 . 1 . . . . 372 ALA N . 6972 1 441 . 1 1 45 45 PRO HA H 1 4.40 0.04 . 1 . . . . 373 PRO HA . 6972 1 442 . 1 1 45 45 PRO HB2 H 1 2.34 0.04 . 2 . . . . 373 PRO HB2 . 6972 1 443 . 1 1 45 45 PRO HB3 H 1 1.88 0.04 . 2 . . . . 373 PRO HB3 . 6972 1 444 . 1 1 45 45 PRO HG2 H 1 2.07 0.04 . 1 . . . . 373 PRO HG2 . 6972 1 445 . 1 1 45 45 PRO HG3 H 1 2.07 0.04 . 1 . . . . 373 PRO HG3 . 6972 1 446 . 1 1 45 45 PRO HD2 H 1 3.83 0.04 . 2 . . . . 373 PRO HD2 . 6972 1 447 . 1 1 45 45 PRO HD3 H 1 3.71 0.04 . 2 . . . . 373 PRO HD3 . 6972 1 448 . 1 1 45 45 PRO C C 13 179.9 0.5 . 1 . . . . 373 PRO C . 6972 1 449 . 1 1 45 45 PRO CA C 13 65.5 0.5 . 1 . . . . 373 PRO CA . 6972 1 450 . 1 1 45 45 PRO CB C 13 30.4 0.5 . 1 . . . . 373 PRO CB . 6972 1 451 . 1 1 45 45 PRO CG C 13 28.0 0.5 . 1 . . . . 373 PRO CG . 6972 1 452 . 1 1 45 45 PRO CD C 13 49.7 0.5 . 1 . . . . 373 PRO CD . 6972 1 453 . 1 1 46 46 LYS H H 1 7.12 0.04 . 1 . . . . 374 LYS H . 6972 1 454 . 1 1 46 46 LYS HA H 1 3.83 0.04 . 1 . . . . 374 LYS HA . 6972 1 455 . 1 1 46 46 LYS HB2 H 1 2.13 0.04 . 2 . . . . 374 LYS HB2 . 6972 1 456 . 1 1 46 46 LYS HB3 H 1 1.72 0.04 . 2 . . . . 374 LYS HB3 . 6972 1 457 . 1 1 46 46 LYS HG2 H 1 1.66 0.04 . 2 . . . . 374 LYS HG2 . 6972 1 458 . 1 1 46 46 LYS HG3 H 1 1.61 0.04 . 2 . . . . 374 LYS HG3 . 6972 1 459 . 1 1 46 46 LYS HD2 H 1 1.63 0.04 . 1 . . . . 374 LYS HD2 . 6972 1 460 . 1 1 46 46 LYS HD3 H 1 1.63 0.04 . 1 . . . . 374 LYS HD3 . 6972 1 461 . 1 1 46 46 LYS HE2 H 1 3.09 0.04 . 1 . . . . 374 LYS HE2 . 6972 1 462 . 1 1 46 46 LYS C C 13 176.9 0.5 . 1 . . . . 374 LYS C . 6972 1 463 . 1 1 46 46 LYS CA C 13 57.6 0.5 . 1 . . . . 374 LYS CA . 6972 1 464 . 1 1 46 46 LYS CB C 13 31.5 0.5 . 1 . . . . 374 LYS CB . 6972 1 465 . 1 1 46 46 LYS CG C 13 25.3 0.5 . 1 . . . . 374 LYS CG . 6972 1 466 . 1 1 46 46 LYS N N 15 119.0 0.5 . 1 . . . . 374 LYS N . 6972 1 467 . 1 1 47 47 TYR H H 1 8.41 0.04 . 1 . . . . 375 TYR H . 6972 1 468 . 1 1 47 47 TYR HA H 1 4.17 0.04 . 1 . . . . 375 TYR HA . 6972 1 469 . 1 1 47 47 TYR HB2 H 1 3.05 0.04 . 2 . . . . 375 TYR HB2 . 6972 1 470 . 1 1 47 47 TYR HB3 H 1 2.56 0.04 . 2 . . . . 375 TYR HB3 . 6972 1 471 . 1 1 47 47 TYR HD1 H 1 6.62 0.04 . 1 . . . . 375 TYR HD1 . 6972 1 472 . 1 1 47 47 TYR HD2 H 1 6.62 0.04 . 1 . . . . 375 TYR HD2 . 6972 1 473 . 1 1 47 47 TYR HE1 H 1 6.30 0.04 . 1 . . . . 375 TYR HE1 . 6972 1 474 . 1 1 47 47 TYR HE2 H 1 6.30 0.04 . 1 . . . . 375 TYR HE2 . 6972 1 475 . 1 1 47 47 TYR C C 13 177.0 0.5 . 1 . . . . 375 TYR C . 6972 1 476 . 1 1 47 47 TYR CA C 13 62.0 0.5 . 1 . . . . 375 TYR CA . 6972 1 477 . 1 1 47 47 TYR CB C 13 38.5 0.5 . 1 . . . . 375 TYR CB . 6972 1 478 . 1 1 47 47 TYR N N 15 124.1 0.5 . 1 . . . . 375 TYR N . 6972 1 479 . 1 1 48 48 GLU H H 1 7.91 0.04 . 1 . . . . 376 GLU H . 6972 1 480 . 1 1 48 48 GLU HA H 1 3.83 0.04 . 1 . . . . 376 GLU HA . 6972 1 481 . 1 1 48 48 GLU HB2 H 1 2.03 0.04 . 1 . . . . 376 GLU HB2 . 6972 1 482 . 1 1 48 48 GLU HB3 H 1 2.03 0.04 . 1 . . . . 376 GLU HB3 . 6972 1 483 . 1 1 48 48 GLU HG2 H 1 2.25 0.04 . 1 . . . . 376 GLU HG2 . 6972 1 484 . 1 1 48 48 GLU HG3 H 1 2.25 0.04 . 1 . . . . 376 GLU HG3 . 6972 1 485 . 1 1 48 48 GLU C C 13 178.5 0.5 . 1 . . . . 376 GLU C . 6972 1 486 . 1 1 48 48 GLU CA C 13 58.9 0.5 . 1 . . . . 376 GLU CA . 6972 1 487 . 1 1 48 48 GLU CB C 13 28.4 0.5 . 1 . . . . 376 GLU CB . 6972 1 488 . 1 1 48 48 GLU CG C 13 37.1 0.5 . 1 . . . . 376 GLU CG . 6972 1 489 . 1 1 48 48 GLU N N 15 116.6 0.5 . 1 . . . . 376 GLU N . 6972 1 490 . 1 1 49 49 GLU H H 1 7.43 0.04 . 1 . . . . 377 GLU H . 6972 1 491 . 1 1 49 49 GLU HA H 1 3.96 0.04 . 1 . . . . 377 GLU HA . 6972 1 492 . 1 1 49 49 GLU HB2 H 1 2.23 0.04 . 2 . . . . 377 GLU HB2 . 6972 1 493 . 1 1 49 49 GLU HB3 H 1 2.16 0.04 . 2 . . . . 377 GLU HB3 . 6972 1 494 . 1 1 49 49 GLU HG2 H 1 2.42 0.04 . 1 . . . . 377 GLU HG2 . 6972 1 495 . 1 1 49 49 GLU HG3 H 1 2.42 0.04 . 1 . . . . 377 GLU HG3 . 6972 1 496 . 1 1 49 49 GLU C C 13 178.4 0.5 . 1 . . . . 377 GLU C . 6972 1 497 . 1 1 49 49 GLU CA C 13 59.1 0.5 . 1 . . . . 377 GLU CA . 6972 1 498 . 1 1 49 49 GLU CB C 13 28.7 0.5 . 1 . . . . 377 GLU CB . 6972 1 499 . 1 1 49 49 GLU CG C 13 36.7 0.5 . 1 . . . . 377 GLU CG . 6972 1 500 . 1 1 49 49 GLU N N 15 121.9 0.5 . 1 . . . . 377 GLU N . 6972 1 501 . 1 1 50 50 LEU H H 1 7.95 0.04 . 1 . . . . 378 LEU H . 6972 1 502 . 1 1 50 50 LEU HA H 1 3.95 0.04 . 1 . . . . 378 LEU HA . 6972 1 503 . 1 1 50 50 LEU HB2 H 1 2.08 0.04 . 2 . . . . 378 LEU HB2 . 6972 1 504 . 1 1 50 50 LEU HB3 H 1 1.31 0.04 . 2 . . . . 378 LEU HB3 . 6972 1 505 . 1 1 50 50 LEU HD11 H 1 1.02 0.04 . 2 . . . . 378 LEU HD1 . 6972 1 506 . 1 1 50 50 LEU HD12 H 1 1.02 0.04 . 2 . . . . 378 LEU HD1 . 6972 1 507 . 1 1 50 50 LEU HD13 H 1 1.02 0.04 . 2 . . . . 378 LEU HD1 . 6972 1 508 . 1 1 50 50 LEU HD21 H 1 0.63 0.04 . 2 . . . . 378 LEU HD2 . 6972 1 509 . 1 1 50 50 LEU HD22 H 1 0.63 0.04 . 2 . . . . 378 LEU HD2 . 6972 1 510 . 1 1 50 50 LEU HD23 H 1 0.63 0.04 . 2 . . . . 378 LEU HD2 . 6972 1 511 . 1 1 50 50 LEU C C 13 178.1 0.5 . 1 . . . . 378 LEU C . 6972 1 512 . 1 1 50 50 LEU CA C 13 57.5 0.5 . 1 . . . . 378 LEU CA . 6972 1 513 . 1 1 50 50 LEU CB C 13 41.8 0.5 . 1 . . . . 378 LEU CB . 6972 1 514 . 1 1 50 50 LEU CG C 13 26.4 0.5 . 1 . . . . 378 LEU CG . 6972 1 515 . 1 1 50 50 LEU N N 15 121.9 0.5 . 1 . . . . 378 LEU N . 6972 1 516 . 1 1 51 51 GLY H H 1 8.06 0.04 . 1 . . . . 379 GLY H . 6972 1 517 . 1 1 51 51 GLY HA2 H 1 3.67 0.04 . 2 . . . . 379 GLY HA2 . 6972 1 518 . 1 1 51 51 GLY HA3 H 1 3.41 0.04 . 2 . . . . 379 GLY HA3 . 6972 1 519 . 1 1 51 51 GLY C C 13 175.7 0.5 . 1 . . . . 379 GLY C . 6972 1 520 . 1 1 51 51 GLY CA C 13 47.0 0.5 . 1 . . . . 379 GLY CA . 6972 1 521 . 1 1 51 51 GLY N N 15 105.6 0.5 . 1 . . . . 379 GLY N . 6972 1 522 . 1 1 52 52 ALA H H 1 8.45 0.04 . 1 . . . . 380 ALA H . 6972 1 523 . 1 1 52 52 ALA HA H 1 3.98 0.04 . 1 . . . . 380 ALA HA . 6972 1 524 . 1 1 52 52 ALA HB1 H 1 1.47 0.04 . 1 . . . . 380 ALA HB . 6972 1 525 . 1 1 52 52 ALA HB2 H 1 1.47 0.04 . 1 . . . . 380 ALA HB . 6972 1 526 . 1 1 52 52 ALA HB3 H 1 1.47 0.04 . 1 . . . . 380 ALA HB . 6972 1 527 . 1 1 52 52 ALA C C 13 179.5 0.5 . 1 . . . . 380 ALA C . 6972 1 528 . 1 1 52 52 ALA CA C 13 54.6 0.5 . 1 . . . . 380 ALA CA . 6972 1 529 . 1 1 52 52 ALA CB C 13 17.8 0.5 . 1 . . . . 380 ALA CB . 6972 1 530 . 1 1 52 52 ALA N N 15 126.2 0.5 . 1 . . . . 380 ALA N . 6972 1 531 . 1 1 53 53 LEU H H 1 8.14 0.04 . 1 . . . . 381 LEU H . 6972 1 532 . 1 1 53 53 LEU HA H 1 3.94 0.04 . 1 . . . . 381 LEU HA . 6972 1 533 . 1 1 53 53 LEU HB2 H 1 1.81 0.04 . 2 . . . . 381 LEU HB2 . 6972 1 534 . 1 1 53 53 LEU HB3 H 1 1.47 0.04 . 2 . . . . 381 LEU HB3 . 6972 1 535 . 1 1 53 53 LEU HG H 1 1.64 0.04 . 1 . . . . 381 LEU HG . 6972 1 536 . 1 1 53 53 LEU HD11 H 1 0.72 0.04 . 2 . . . . 381 LEU HD1 . 6972 1 537 . 1 1 53 53 LEU HD12 H 1 0.72 0.04 . 2 . . . . 381 LEU HD1 . 6972 1 538 . 1 1 53 53 LEU HD13 H 1 0.72 0.04 . 2 . . . . 381 LEU HD1 . 6972 1 539 . 1 1 53 53 LEU HD21 H 1 0.65 0.04 . 2 . . . . 381 LEU HD2 . 6972 1 540 . 1 1 53 53 LEU HD22 H 1 0.65 0.04 . 2 . . . . 381 LEU HD2 . 6972 1 541 . 1 1 53 53 LEU HD23 H 1 0.65 0.04 . 2 . . . . 381 LEU HD2 . 6972 1 542 . 1 1 53 53 LEU C C 13 180.0 0.5 . 1 . . . . 381 LEU C . 6972 1 543 . 1 1 53 53 LEU CA C 13 57.7 0.5 . 1 . . . . 381 LEU CA . 6972 1 544 . 1 1 53 53 LEU CB C 13 41.0 0.5 . 1 . . . . 381 LEU CB . 6972 1 545 . 1 1 53 53 LEU CG C 13 26.4 0.5 . 1 . . . . 381 LEU CG . 6972 1 546 . 1 1 53 53 LEU N N 15 120.5 0.5 . 1 . . . . 381 LEU N . 6972 1 547 . 1 1 54 54 TYR H H 1 7.76 0.04 . 1 . . . . 382 TYR H . 6972 1 548 . 1 1 54 54 TYR HA H 1 3.98 0.04 . 1 . . . . 382 TYR HA . 6972 1 549 . 1 1 54 54 TYR HB2 H 1 2.93 0.04 . 2 . . . . 382 TYR HB2 . 6972 1 550 . 1 1 54 54 TYR HB3 H 1 2.65 0.04 . 2 . . . . 382 TYR HB3 . 6972 1 551 . 1 1 54 54 TYR HD1 H 1 6.97 0.04 . 1 . . . . 382 TYR HD1 . 6972 1 552 . 1 1 54 54 TYR HD2 H 1 6.97 0.04 . 1 . . . . 382 TYR HD2 . 6972 1 553 . 1 1 54 54 TYR HE1 H 1 6.42 0.04 . 1 . . . . 382 TYR HE1 . 6972 1 554 . 1 1 54 54 TYR HE2 H 1 6.42 0.04 . 1 . . . . 382 TYR HE2 . 6972 1 555 . 1 1 54 54 TYR C C 13 179.1 0.5 . 1 . . . . 382 TYR C . 6972 1 556 . 1 1 54 54 TYR CA C 13 63.3 0.5 . 1 . . . . 382 TYR CA . 6972 1 557 . 1 1 54 54 TYR CB C 13 37.6 0.5 . 1 . . . . 382 TYR CB . 6972 1 558 . 1 1 54 54 TYR N N 15 117.9 0.5 . 1 . . . . 382 TYR N . 6972 1 559 . 1 1 55 55 ALA H H 1 8.14 0.04 . 1 . . . . 383 ALA H . 6972 1 560 . 1 1 55 55 ALA HA H 1 4.31 0.04 . 1 . . . . 383 ALA HA . 6972 1 561 . 1 1 55 55 ALA HB1 H 1 1.54 0.04 . 1 . . . . 383 ALA HB . 6972 1 562 . 1 1 55 55 ALA HB2 H 1 1.54 0.04 . 1 . . . . 383 ALA HB . 6972 1 563 . 1 1 55 55 ALA HB3 H 1 1.54 0.04 . 1 . . . . 383 ALA HB . 6972 1 564 . 1 1 55 55 ALA C C 13 177.6 0.5 . 1 . . . . 383 ALA C . 6972 1 565 . 1 1 55 55 ALA CA C 13 54.1 0.5 . 1 . . . . 383 ALA CA . 6972 1 566 . 1 1 55 55 ALA CB C 13 17.9 0.5 . 1 . . . . 383 ALA CB . 6972 1 567 . 1 1 55 55 ALA N N 15 122.7 0.5 . 1 . . . . 383 ALA N . 6972 1 568 . 1 1 56 56 LYS H H 1 7.09 0.04 . 1 . . . . 384 LYS H . 6972 1 569 . 1 1 56 56 LYS HA H 1 4.54 0.04 . 1 . . . . 384 LYS HA . 6972 1 570 . 1 1 56 56 LYS HB2 H 1 1.91 0.04 . 2 . . . . 384 LYS HB2 . 6972 1 571 . 1 1 56 56 LYS HB3 H 1 1.83 0.04 . 2 . . . . 384 LYS HB3 . 6972 1 572 . 1 1 56 56 LYS HG2 H 1 1.57 0.04 . 2 . . . . 384 LYS HG2 . 6972 1 573 . 1 1 56 56 LYS HG3 H 1 1.50 0.04 . 2 . . . . 384 LYS HG3 . 6972 1 574 . 1 1 56 56 LYS HE2 H 1 2.94 0.04 . 1 . . . . 384 LYS HE2 . 6972 1 575 . 1 1 56 56 LYS HE3 H 1 2.94 0.04 . 1 . . . . 384 LYS HE3 . 6972 1 576 . 1 1 56 56 LYS C C 13 175.7 0.5 . 1 . . . . 384 LYS C . 6972 1 577 . 1 1 56 56 LYS CA C 13 54.7 0.5 . 1 . . . . 384 LYS CA . 6972 1 578 . 1 1 56 56 LYS CB C 13 32.4 0.5 . 1 . . . . 384 LYS CB . 6972 1 579 . 1 1 56 56 LYS CG C 13 24.0 0.5 . 1 . . . . 384 LYS CG . 6972 1 580 . 1 1 56 56 LYS N N 15 115.0 0.5 . 1 . . . . 384 LYS N . 6972 1 581 . 1 1 57 57 SER H H 1 7.59 0.04 . 1 . . . . 385 SER H . 6972 1 582 . 1 1 57 57 SER HA H 1 4.58 0.04 . 1 . . . . 385 SER HA . 6972 1 583 . 1 1 57 57 SER HB2 H 1 4.19 0.04 . 1 . . . . 385 SER HB2 . 6972 1 584 . 1 1 57 57 SER HB3 H 1 4.19 0.04 . 1 . . . . 385 SER HB3 . 6972 1 585 . 1 1 57 57 SER C C 13 175.3 0.5 . 1 . . . . 385 SER C . 6972 1 586 . 1 1 57 57 SER CA C 13 58.0 0.5 . 1 . . . . 385 SER CA . 6972 1 587 . 1 1 57 57 SER CB C 13 66.2 0.5 . 1 . . . . 385 SER CB . 6972 1 588 . 1 1 57 57 SER N N 15 118.4 0.5 . 1 . . . . 385 SER N . 6972 1 589 . 1 1 58 58 GLU H H 1 9.23 0.04 . 1 . . . . 386 GLU H . 6972 1 590 . 1 1 58 58 GLU HA H 1 4.17 0.04 . 1 . . . . 386 GLU HA . 6972 1 591 . 1 1 58 58 GLU HB2 H 1 1.66 0.04 . 1 . . . . 386 GLU HB2 . 6972 1 592 . 1 1 58 58 GLU HB3 H 1 1.66 0.04 . 1 . . . . 386 GLU HB3 . 6972 1 593 . 1 1 58 58 GLU HG2 H 1 2.18 0.04 . 1 . . . . 386 GLU HG2 . 6972 1 594 . 1 1 58 58 GLU HG3 H 1 2.18 0.04 . 1 . . . . 386 GLU HG3 . 6972 1 595 . 1 1 58 58 GLU C C 13 176.0 0.5 . 1 . . . . 386 GLU C . 6972 1 596 . 1 1 58 58 GLU CA C 13 57.2 0.5 . 1 . . . . 386 GLU CA . 6972 1 597 . 1 1 58 58 GLU CB C 13 28.5 0.5 . 1 . . . . 386 GLU CB . 6972 1 598 . 1 1 58 58 GLU CG C 13 36.1 0.5 . 1 . . . . 386 GLU CG . 6972 1 599 . 1 1 58 58 GLU N N 15 120.7 0.5 . 1 . . . . 386 GLU N . 6972 1 600 . 1 1 59 59 PHE H H 1 8.23 0.04 . 1 . . . . 387 PHE H . 6972 1 601 . 1 1 59 59 PHE HA H 1 4.53 0.04 . 1 . . . . 387 PHE HA . 6972 1 602 . 1 1 59 59 PHE HB2 H 1 3.48 0.04 . 2 . . . . 387 PHE HB2 . 6972 1 603 . 1 1 59 59 PHE HB3 H 1 2.83 0.04 . 2 . . . . 387 PHE HB3 . 6972 1 604 . 1 1 59 59 PHE HD1 H 1 7.02 0.04 . 1 . . . . 387 PHE HD1 . 6972 1 605 . 1 1 59 59 PHE HD2 H 1 7.02 0.04 . 1 . . . . 387 PHE HD2 . 6972 1 606 . 1 1 59 59 PHE HE1 H 1 7.45 0.04 . 1 . . . . 387 PHE HE1 . 6972 1 607 . 1 1 59 59 PHE HE2 H 1 7.45 0.04 . 1 . . . . 387 PHE HE2 . 6972 1 608 . 1 1 59 59 PHE HZ H 1 7.39 0.04 . 1 . . . . 387 PHE HZ . 6972 1 609 . 1 1 59 59 PHE C C 13 175.5 0.5 . 1 . . . . 387 PHE C . 6972 1 610 . 1 1 59 59 PHE CA C 13 57.2 0.5 . 1 . . . . 387 PHE CA . 6972 1 611 . 1 1 59 59 PHE CB C 13 39.0 0.5 . 1 . . . . 387 PHE CB . 6972 1 612 . 1 1 59 59 PHE N N 15 118.4 0.5 . 1 . . . . 387 PHE N . 6972 1 613 . 1 1 60 60 LYS H H 1 7.36 0.04 . 1 . . . . 388 LYS H . 6972 1 614 . 1 1 60 60 LYS HA H 1 4.33 0.04 . 1 . . . . 388 LYS HA . 6972 1 615 . 1 1 60 60 LYS HB2 H 1 2.17 0.04 . 2 . . . . 388 LYS HB2 . 6972 1 616 . 1 1 60 60 LYS HB3 H 1 2.04 0.04 . 2 . . . . 388 LYS HB3 . 6972 1 617 . 1 1 60 60 LYS HG2 H 1 1.44 0.04 . 2 . . . . 388 LYS HG2 . 6972 1 618 . 1 1 60 60 LYS HG3 H 1 1.33 0.04 . 2 . . . . 388 LYS HG3 . 6972 1 619 . 1 1 60 60 LYS HE2 H 1 3.01 0.04 . 1 . . . . 388 LYS HE2 . 6972 1 620 . 1 1 60 60 LYS HE3 H 1 3.01 0.04 . 1 . . . . 388 LYS HE3 . 6972 1 621 . 1 1 60 60 LYS C C 13 175.4 0.5 . 1 . . . . 388 LYS C . 6972 1 622 . 1 1 60 60 LYS CA C 13 58.6 0.5 . 1 . . . . 388 LYS CA . 6972 1 623 . 1 1 60 60 LYS CB C 13 31.4 0.5 . 1 . . . . 388 LYS CB . 6972 1 624 . 1 1 60 60 LYS CG C 13 22.7 0.5 . 1 . . . . 388 LYS CG . 6972 1 625 . 1 1 60 60 LYS N N 15 121.7 0.5 . 1 . . . . 388 LYS N . 6972 1 626 . 1 1 61 61 ASP H H 1 8.46 0.04 . 1 . . . . 389 ASP H . 6972 1 627 . 1 1 61 61 ASP HA H 1 4.63 0.04 . 1 . . . . 389 ASP HA . 6972 1 628 . 1 1 61 61 ASP HB2 H 1 2.66 0.04 . 1 . . . . 389 ASP HB2 . 6972 1 629 . 1 1 61 61 ASP HB3 H 1 2.66 0.04 . 1 . . . . 389 ASP HB3 . 6972 1 630 . 1 1 61 61 ASP C C 13 175.6 0.5 . 1 . . . . 389 ASP C . 6972 1 631 . 1 1 61 61 ASP CA C 13 53.7 0.5 . 1 . . . . 389 ASP CA . 6972 1 632 . 1 1 61 61 ASP CB C 13 40.2 0.5 . 1 . . . . 389 ASP CB . 6972 1 633 . 1 1 61 61 ASP N N 15 117.9 0.5 . 1 . . . . 389 ASP N . 6972 1 634 . 1 1 62 62 ARG H H 1 7.92 0.04 . 1 . . . . 390 ARG H . 6972 1 635 . 1 1 62 62 ARG HA H 1 4.31 0.04 . 1 . . . . 390 ARG HA . 6972 1 636 . 1 1 62 62 ARG HB2 H 1 1.57 0.04 . 2 . . . . 390 ARG HB2 . 6972 1 637 . 1 1 62 62 ARG HB3 H 1 1.44 0.04 . 2 . . . . 390 ARG HB3 . 6972 1 638 . 1 1 62 62 ARG HG2 H 1 1.20 0.04 . 2 . . . . 390 ARG HG2 . 6972 1 639 . 1 1 62 62 ARG HG3 H 1 1.15 0.04 . 1 . . . . 390 ARG HG3 . 6972 1 640 . 1 1 62 62 ARG HD2 H 1 3.27 0.04 . 1 . . . . 390 ARG HD2 . 6972 1 641 . 1 1 62 62 ARG HD3 H 1 3.27 0.04 . 1 . . . . 390 ARG HD3 . 6972 1 642 . 1 1 62 62 ARG C C 13 173.0 0.5 . 1 . . . . 390 ARG C . 6972 1 643 . 1 1 62 62 ARG CA C 13 56.1 0.5 . 1 . . . . 390 ARG CA . 6972 1 644 . 1 1 62 62 ARG CB C 13 33.6 0.5 . 1 . . . . 390 ARG CB . 6972 1 645 . 1 1 62 62 ARG CG C 13 26.3 0.5 . 1 . . . . 390 ARG CG . 6972 1 646 . 1 1 62 62 ARG N N 15 119.7 0.5 . 1 . . . . 390 ARG N . 6972 1 647 . 1 1 63 63 VAL H H 1 7.36 0.04 . 1 . . . . 391 VAL H . 6972 1 648 . 1 1 63 63 VAL HA H 1 5.08 0.04 . 1 . . . . 391 VAL HA . 6972 1 649 . 1 1 63 63 VAL HB H 1 1.55 0.04 . 1 . . . . 391 VAL HB . 6972 1 650 . 1 1 63 63 VAL HG11 H 1 0.80 0.04 . 2 . . . . 391 VAL HG1 . 6972 1 651 . 1 1 63 63 VAL HG12 H 1 0.80 0.04 . 2 . . . . 391 VAL HG1 . 6972 1 652 . 1 1 63 63 VAL HG13 H 1 0.80 0.04 . 2 . . . . 391 VAL HG1 . 6972 1 653 . 1 1 63 63 VAL HG21 H 1 0.13 0.04 . 2 . . . . 391 VAL HG2 . 6972 1 654 . 1 1 63 63 VAL HG22 H 1 0.13 0.04 . 2 . . . . 391 VAL HG2 . 6972 1 655 . 1 1 63 63 VAL HG23 H 1 0.13 0.04 . 2 . . . . 391 VAL HG2 . 6972 1 656 . 1 1 63 63 VAL C C 13 174.4 0.5 . 1 . . . . 391 VAL C . 6972 1 657 . 1 1 63 63 VAL CA C 13 60.0 0.5 . 1 . . . . 391 VAL CA . 6972 1 658 . 1 1 63 63 VAL CB C 13 34.5 0.5 . 1 . . . . 391 VAL CB . 6972 1 659 . 1 1 63 63 VAL CG1 C 13 21.2 0.5 . 2 . . . . 391 VAL CG1 . 6972 1 660 . 1 1 63 63 VAL CG2 C 13 20.0 0.5 . 2 . . . . 391 VAL CG2 . 6972 1 661 . 1 1 63 63 VAL N N 15 120.0 0.5 . 1 . . . . 391 VAL N . 6972 1 662 . 1 1 64 64 VAL H H 1 8.58 0.04 . 1 . . . . 392 VAL H . 6972 1 663 . 1 1 64 64 VAL HA H 1 4.12 0.04 . 1 . . . . 392 VAL HA . 6972 1 664 . 1 1 64 64 VAL HB H 1 1.79 0.04 . 1 . . . . 392 VAL HB . 6972 1 665 . 1 1 64 64 VAL HG11 H 1 0.84 0.04 . 2 . . . . 392 VAL HG1 . 6972 1 666 . 1 1 64 64 VAL HG12 H 1 0.84 0.04 . 2 . . . . 392 VAL HG1 . 6972 1 667 . 1 1 64 64 VAL HG13 H 1 0.84 0.04 . 2 . . . . 392 VAL HG1 . 6972 1 668 . 1 1 64 64 VAL HG21 H 1 0.77 0.04 . 2 . . . . 392 VAL HG2 . 6972 1 669 . 1 1 64 64 VAL HG22 H 1 0.77 0.04 . 2 . . . . 392 VAL HG2 . 6972 1 670 . 1 1 64 64 VAL HG23 H 1 0.77 0.04 . 2 . . . . 392 VAL HG2 . 6972 1 671 . 1 1 64 64 VAL C C 13 172.6 0.5 . 1 . . . . 392 VAL C . 6972 1 672 . 1 1 64 64 VAL CA C 13 60.2 0.5 . 1 . . . . 392 VAL CA . 6972 1 673 . 1 1 64 64 VAL CB C 13 34.5 0.5 . 1 . . . . 392 VAL CB . 6972 1 674 . 1 1 64 64 VAL CG1 C 13 21.2 0.5 . 2 . . . . 392 VAL CG1 . 6972 1 675 . 1 1 64 64 VAL CG2 C 13 20.1 0.5 . 2 . . . . 392 VAL CG2 . 6972 1 676 . 1 1 64 64 VAL N N 15 128.1 0.5 . 1 . . . . 392 VAL N . 6972 1 677 . 1 1 65 65 ILE H H 1 8.56 0.04 . 1 . . . . 393 ILE H . 6972 1 678 . 1 1 65 65 ILE HA H 1 4.46 0.04 . 1 . . . . 393 ILE HA . 6972 1 679 . 1 1 65 65 ILE HB H 1 2.15 0.04 . 1 . . . . 393 ILE HB . 6972 1 680 . 1 1 65 65 ILE HG12 H 1 1.50 0.04 . 2 . . . . 393 ILE HG12 . 6972 1 681 . 1 1 65 65 ILE HG13 H 1 0.98 0.04 . 2 . . . . 393 ILE HG13 . 6972 1 682 . 1 1 65 65 ILE HG21 H 1 0.35 0.04 . 1 . . . . 393 ILE HG2 . 6972 1 683 . 1 1 65 65 ILE HG22 H 1 0.35 0.04 . 1 . . . . 393 ILE HG2 . 6972 1 684 . 1 1 65 65 ILE HG23 H 1 0.35 0.04 . 1 . . . . 393 ILE HG2 . 6972 1 685 . 1 1 65 65 ILE HD11 H 1 0.29 0.04 . 1 . . . . 393 ILE HD1 . 6972 1 686 . 1 1 65 65 ILE HD12 H 1 0.29 0.04 . 1 . . . . 393 ILE HD1 . 6972 1 687 . 1 1 65 65 ILE HD13 H 1 0.29 0.04 . 1 . . . . 393 ILE HD1 . 6972 1 688 . 1 1 65 65 ILE C C 13 174.0 0.5 . 1 . . . . 393 ILE C . 6972 1 689 . 1 1 65 65 ILE CA C 13 57.9 0.5 . 1 . . . . 393 ILE CA . 6972 1 690 . 1 1 65 65 ILE CB C 13 34.5 0.5 . 1 . . . . 393 ILE CB . 6972 1 691 . 1 1 65 65 ILE CG1 C 13 26.5 0.5 . 1 . . . . 393 ILE CG1 . 6972 1 692 . 1 1 65 65 ILE CG2 C 13 17.7 0.5 . 1 . . . . 393 ILE CG2 . 6972 1 693 . 1 1 65 65 ILE CD1 C 13 9.7 0.5 . 1 . . . . 393 ILE CD1 . 6972 1 694 . 1 1 65 65 ILE N N 15 129.0 0.5 . 1 . . . . 393 ILE N . 6972 1 695 . 1 1 66 66 ALA H H 1 9.49 0.04 . 1 . . . . 394 ALA H . 6972 1 696 . 1 1 66 66 ALA HA H 1 5.89 0.04 . 1 . . . . 394 ALA HA . 6972 1 697 . 1 1 66 66 ALA HB1 H 1 1.09 0.04 . 1 . . . . 394 ALA HB . 6972 1 698 . 1 1 66 66 ALA HB2 H 1 1.09 0.04 . 1 . . . . 394 ALA HB . 6972 1 699 . 1 1 66 66 ALA HB3 H 1 1.09 0.04 . 1 . . . . 394 ALA HB . 6972 1 700 . 1 1 66 66 ALA C C 13 176.8 0.5 . 1 . . . . 394 ALA C . 6972 1 701 . 1 1 66 66 ALA CA C 13 49.8 0.5 . 1 . . . . 394 ALA CA . 6972 1 702 . 1 1 66 66 ALA CB C 13 23.1 0.5 . 1 . . . . 394 ALA CB . 6972 1 703 . 1 1 66 66 ALA N N 15 128.3 0.5 . 1 . . . . 394 ALA N . 6972 1 704 . 1 1 67 67 LYS H H 1 8.98 0.04 . 1 . . . . 395 LYS H . 6972 1 705 . 1 1 67 67 LYS HA H 1 5.54 0.04 . 1 . . . . 395 LYS HA . 6972 1 706 . 1 1 67 67 LYS HB2 H 1 1.89 0.04 . 2 . . . . 395 LYS HB2 . 6972 1 707 . 1 1 67 67 LYS HB3 H 1 1.63 0.04 . 2 . . . . 395 LYS HB3 . 6972 1 708 . 1 1 67 67 LYS HE2 H 1 2.67 0.04 . 1 . . . . 395 LYS HE2 . 6972 1 709 . 1 1 67 67 LYS HE3 H 1 2.67 0.04 . 1 . . . . 395 LYS HE3 . 6972 1 710 . 1 1 67 67 LYS C C 13 171.5 0.5 . 1 . . . . 395 LYS C . 6972 1 711 . 1 1 67 67 LYS CA C 13 54.1 0.5 . 1 . . . . 395 LYS CA . 6972 1 712 . 1 1 67 67 LYS CB C 13 36.4 0.5 . 1 . . . . 395 LYS CB . 6972 1 713 . 1 1 67 67 LYS N N 15 121.0 0.5 . 1 . . . . 395 LYS N . 6972 1 714 . 1 1 68 68 VAL H H 1 9.00 0.04 . 1 . . . . 396 VAL H . 6972 1 715 . 1 1 68 68 VAL HA H 1 4.79 0.04 . 1 . . . . 396 VAL HA . 6972 1 716 . 1 1 68 68 VAL HB H 1 1.73 0.04 . 1 . . . . 396 VAL HB . 6972 1 717 . 1 1 68 68 VAL HG11 H 1 0.75 0.04 . 1 . . . . 396 VAL HG1 . 6972 1 718 . 1 1 68 68 VAL HG12 H 1 0.75 0.04 . 1 . . . . 396 VAL HG1 . 6972 1 719 . 1 1 68 68 VAL HG13 H 1 0.75 0.04 . 1 . . . . 396 VAL HG1 . 6972 1 720 . 1 1 68 68 VAL HG21 H 1 0.79 0.04 . 1 . . . . 396 VAL HG2 . 6972 1 721 . 1 1 68 68 VAL HG22 H 1 0.79 0.04 . 1 . . . . 396 VAL HG2 . 6972 1 722 . 1 1 68 68 VAL HG23 H 1 0.79 0.04 . 1 . . . . 396 VAL HG2 . 6972 1 723 . 1 1 68 68 VAL C C 13 171.3 0.5 . 1 . . . . 396 VAL C . 6972 1 724 . 1 1 68 68 VAL CA C 13 58.1 0.5 . 1 . . . . 396 VAL CA . 6972 1 725 . 1 1 68 68 VAL CB C 13 35.1 0.5 . 1 . . . . 396 VAL CB . 6972 1 726 . 1 1 68 68 VAL CG1 C 13 21.9 0.5 . 2 . . . . 396 VAL CG1 . 6972 1 727 . 1 1 68 68 VAL CG2 C 13 21.6 0.5 . 2 . . . . 396 VAL CG2 . 6972 1 728 . 1 1 68 68 VAL N N 15 118.1 0.5 . 1 . . . . 396 VAL N . 6972 1 729 . 1 1 69 69 ASP H H 1 8.58 0.04 . 1 . . . . 397 ASP H . 6972 1 730 . 1 1 69 69 ASP HA H 1 3.37 0.04 . 1 . . . . 397 ASP HA . 6972 1 731 . 1 1 69 69 ASP HB2 H 1 2.46 0.04 . 2 . . . . 397 ASP HB2 . 6972 1 732 . 1 1 69 69 ASP HB3 H 1 2.25 0.04 . 2 . . . . 397 ASP HB3 . 6972 1 733 . 1 1 69 69 ASP C C 13 177.0 0.5 . 1 . . . . 397 ASP C . 6972 1 734 . 1 1 69 69 ASP CA C 13 51.2 0.5 . 1 . . . . 397 ASP CA . 6972 1 735 . 1 1 69 69 ASP CB C 13 38.1 0.5 . 1 . . . . 397 ASP CB . 6972 1 736 . 1 1 69 69 ASP N N 15 126.9 0.5 . 1 . . . . 397 ASP N . 6972 1 737 . 1 1 70 70 ALA H H 1 8.47 0.04 . 1 . . . . 398 ALA H . 6972 1 738 . 1 1 70 70 ALA HA H 1 4.60 0.04 . 1 . . . . 398 ALA HA . 6972 1 739 . 1 1 70 70 ALA HB1 H 1 1.76 0.04 . 1 . . . . 398 ALA HB . 6972 1 740 . 1 1 70 70 ALA HB2 H 1 1.76 0.04 . 1 . . . . 398 ALA HB . 6972 1 741 . 1 1 70 70 ALA HB3 H 1 1.76 0.04 . 1 . . . . 398 ALA HB . 6972 1 742 . 1 1 70 70 ALA C C 13 176.0 0.5 . 1 . . . . 398 ALA C . 6972 1 743 . 1 1 70 70 ALA CA C 13 52.2 0.5 . 1 . . . . 398 ALA CA . 6972 1 744 . 1 1 70 70 ALA CB C 13 19.0 0.5 . 1 . . . . 398 ALA CB . 6972 1 745 . 1 1 70 70 ALA N N 15 132.3 0.5 . 1 . . . . 398 ALA N . 6972 1 746 . 1 1 71 71 THR H H 1 8.73 0.04 . 1 . . . . 399 THR H . 6972 1 747 . 1 1 71 71 THR HA H 1 4.56 0.04 . 1 . . . . 399 THR HA . 6972 1 748 . 1 1 71 71 THR HB H 1 4.45 0.04 . 1 . . . . 399 THR HB . 6972 1 749 . 1 1 71 71 THR HG21 H 1 1.10 0.04 . 1 . . . . 399 THR HG2 . 6972 1 750 . 1 1 71 71 THR HG22 H 1 1.10 0.04 . 1 . . . . 399 THR HG2 . 6972 1 751 . 1 1 71 71 THR HG23 H 1 1.10 0.04 . 1 . . . . 399 THR HG2 . 6972 1 752 . 1 1 71 71 THR C C 13 174.7 0.5 . 1 . . . . 399 THR C . 6972 1 753 . 1 1 71 71 THR CA C 13 62.0 0.5 . 1 . . . . 399 THR CA . 6972 1 754 . 1 1 71 71 THR CB C 13 68.5 0.5 . 1 . . . . 399 THR CB . 6972 1 755 . 1 1 71 71 THR CG2 C 13 22.8 0.5 . 1 . . . . 399 THR CG2 . 6972 1 756 . 1 1 71 71 THR N N 15 110.5 0.5 . 1 . . . . 399 THR N . 6972 1 757 . 1 1 72 72 ALA H H 1 6.74 0.04 . 1 . . . . 400 ALA H . 6972 1 758 . 1 1 72 72 ALA HA H 1 4.62 0.04 . 1 . . . . 400 ALA HA . 6972 1 759 . 1 1 72 72 ALA HB1 H 1 1.26 0.04 . 1 . . . . 400 ALA HB . 6972 1 760 . 1 1 72 72 ALA HB2 H 1 1.26 0.04 . 1 . . . . 400 ALA HB . 6972 1 761 . 1 1 72 72 ALA HB3 H 1 1.26 0.04 . 1 . . . . 400 ALA HB . 6972 1 762 . 1 1 72 72 ALA C C 13 175.6 0.5 . 1 . . . . 400 ALA C . 6972 1 763 . 1 1 72 72 ALA CA C 13 50.5 0.5 . 1 . . . . 400 ALA CA . 6972 1 764 . 1 1 72 72 ALA CB C 13 21.3 0.5 . 1 . . . . 400 ALA CB . 6972 1 765 . 1 1 72 72 ALA N N 15 124.1 0.5 . 1 . . . . 400 ALA N . 6972 1 766 . 1 1 73 73 ASN H H 1 7.13 0.04 . 1 . . . . 401 ASN H . 6972 1 767 . 1 1 73 73 ASN HA H 1 4.92 0.04 . 1 . . . . 401 ASN HA . 6972 1 768 . 1 1 73 73 ASN HB2 H 1 2.49 0.04 . 2 . . . . 401 ASN HB2 . 6972 1 769 . 1 1 73 73 ASN HB3 H 1 1.96 0.04 . 2 . . . . 401 ASN HB3 . 6972 1 770 . 1 1 73 73 ASN HD21 H 1 8.32 0.04 . 2 . . . . 401 ASN HD21 . 6972 1 771 . 1 1 73 73 ASN HD22 H 1 7.44 0.04 . 2 . . . . 401 ASN HD22 . 6972 1 772 . 1 1 73 73 ASN C C 13 172.1 0.5 . 1 . . . . 401 ASN C . 6972 1 773 . 1 1 73 73 ASN CA C 13 51.9 0.5 . 1 . . . . 401 ASN CA . 6972 1 774 . 1 1 73 73 ASN CB C 13 42.7 0.5 . 1 . . . . 401 ASN CB . 6972 1 775 . 1 1 73 73 ASN N N 15 116.0 0.5 . 1 . . . . 401 ASN N . 6972 1 776 . 1 1 73 73 ASN ND2 N 15 119.2 0.5 . 1 . . . . 401 ASN ND2 . 6972 1 777 . 1 1 74 74 ASP H H 1 8.56 0.04 . 1 . . . . 402 ASP H . 6972 1 778 . 1 1 74 74 ASP HA H 1 4.67 0.04 . 1 . . . . 402 ASP HA . 6972 1 779 . 1 1 74 74 ASP HB2 H 1 2.58 0.04 . 2 . . . . 402 ASP HB2 . 6972 1 780 . 1 1 74 74 ASP HB3 H 1 2.47 0.04 . 2 . . . . 402 ASP HB3 . 6972 1 781 . 1 1 74 74 ASP C C 13 174.7 0.5 . 1 . . . . 402 ASP C . 6972 1 782 . 1 1 74 74 ASP CA C 13 53.6 0.5 . 1 . . . . 402 ASP CA . 6972 1 783 . 1 1 74 74 ASP CB C 13 39.7 0.5 . 1 . . . . 402 ASP CB . 6972 1 784 . 1 1 74 74 ASP N N 15 124.4 0.5 . 1 . . . . 402 ASP N . 6972 1 785 . 1 1 75 75 VAL H H 1 7.91 0.04 . 1 . . . . 403 VAL H . 6972 1 786 . 1 1 75 75 VAL HA H 1 4.42 0.04 . 1 . . . . 403 VAL HA . 6972 1 787 . 1 1 75 75 VAL HB H 1 2.09 0.04 . 1 . . . . 403 VAL HB . 6972 1 788 . 1 1 75 75 VAL HG11 H 1 1.06 0.04 . 2 . . . . 403 VAL HG1 . 6972 1 789 . 1 1 75 75 VAL HG12 H 1 1.06 0.04 . 2 . . . . 403 VAL HG1 . 6972 1 790 . 1 1 75 75 VAL HG13 H 1 1.06 0.04 . 2 . . . . 403 VAL HG1 . 6972 1 791 . 1 1 75 75 VAL HG21 H 1 0.86 0.04 . 2 . . . . 403 VAL HG2 . 6972 1 792 . 1 1 75 75 VAL HG22 H 1 0.86 0.04 . 2 . . . . 403 VAL HG2 . 6972 1 793 . 1 1 75 75 VAL HG23 H 1 0.86 0.04 . 2 . . . . 403 VAL HG2 . 6972 1 794 . 1 1 75 75 VAL C C 13 173.8 0.5 . 1 . . . . 403 VAL C . 6972 1 795 . 1 1 75 75 VAL CA C 13 57.0 0.5 . 1 . . . . 403 VAL CA . 6972 1 796 . 1 1 75 75 VAL CB C 13 32.0 0.5 . 1 . . . . 403 VAL CB . 6972 1 797 . 1 1 75 75 VAL CG1 C 13 17.4 0.5 . 2 . . . . 403 VAL CG1 . 6972 1 798 . 1 1 75 75 VAL CG2 C 13 22.1 0.5 . 2 . . . . 403 VAL CG2 . 6972 1 799 . 1 1 75 75 VAL N N 15 117.2 0.5 . 1 . . . . 403 VAL N . 6972 1 800 . 1 1 76 76 PRO HA H 1 4.17 0.04 . 1 . . . . 404 PRO HA . 6972 1 801 . 1 1 76 76 PRO HB2 H 1 2.08 0.04 . 2 . . . . 404 PRO HB2 . 6972 1 802 . 1 1 76 76 PRO HB3 H 1 1.79 0.04 . 2 . . . . 404 PRO HB3 . 6972 1 803 . 1 1 76 76 PRO HG2 H 1 1.73 0.04 . 1 . . . . 404 PRO HG2 . 6972 1 804 . 1 1 76 76 PRO HG3 H 1 1.73 0.04 . 1 . . . . 404 PRO HG3 . 6972 1 805 . 1 1 76 76 PRO HD2 H 1 3.02 0.04 . 2 . . . . 404 PRO HD2 . 6972 1 806 . 1 1 76 76 PRO HD3 H 1 2.42 0.04 . 2 . . . . 404 PRO HD3 . 6972 1 807 . 1 1 76 76 PRO C C 13 176.7 0.5 . 1 . . . . 404 PRO C . 6972 1 808 . 1 1 76 76 PRO CA C 13 63.3 0.5 . 1 . . . . 404 PRO CA . 6972 1 809 . 1 1 76 76 PRO CB C 13 30.6 0.5 . 1 . . . . 404 PRO CB . 6972 1 810 . 1 1 76 76 PRO CG C 13 27.1 0.5 . 1 . . . . 404 PRO CG . 6972 1 811 . 1 1 76 76 PRO CD C 13 49.0 0.5 . 1 . . . . 404 PRO CD . 6972 1 812 . 1 1 77 77 ASP H H 1 7.49 0.04 . 1 . . . . 405 ASP H . 6972 1 813 . 1 1 77 77 ASP HA H 1 4.13 0.04 . 1 . . . . 405 ASP HA . 6972 1 814 . 1 1 77 77 ASP HB2 H 1 1.74 0.04 . 2 . . . . 405 ASP HB2 . 6972 1 815 . 1 1 77 77 ASP HB3 H 1 1.59 0.04 . 2 . . . . 405 ASP HB3 . 6972 1 816 . 1 1 77 77 ASP C C 13 173.7 0.5 . 1 . . . . 405 ASP C . 6972 1 817 . 1 1 77 77 ASP CA C 13 53.8 0.5 . 1 . . . . 405 ASP CA . 6972 1 818 . 1 1 77 77 ASP CB C 13 42.5 0.5 . 1 . . . . 405 ASP CB . 6972 1 819 . 1 1 77 77 ASP N N 15 117.3 0.5 . 1 . . . . 405 ASP N . 6972 1 820 . 1 1 78 78 GLU H H 1 8.37 0.04 . 1 . . . . 406 GLU H . 6972 1 821 . 1 1 78 78 GLU HA H 1 4.22 0.04 . 1 . . . . 406 GLU HA . 6972 1 822 . 1 1 78 78 GLU HB2 H 1 1.83 0.04 . 1 . . . . 406 GLU HB2 . 6972 1 823 . 1 1 78 78 GLU HB3 H 1 1.83 0.04 . 1 . . . . 406 GLU HB3 . 6972 1 824 . 1 1 78 78 GLU HG2 H 1 2.15 0.04 . 2 . . . . 406 GLU HG2 . 6972 1 825 . 1 1 78 78 GLU HG3 H 1 1.99 0.04 . 2 . . . . 406 GLU HG3 . 6972 1 826 . 1 1 78 78 GLU C C 13 175.3 0.5 . 1 . . . . 406 GLU C . 6972 1 827 . 1 1 78 78 GLU CA C 13 55.2 0.5 . 1 . . . . 406 GLU CA . 6972 1 828 . 1 1 78 78 GLU CB C 13 29.0 0.5 . 1 . . . . 406 GLU CB . 6972 1 829 . 1 1 78 78 GLU CG C 13 35.8 0.5 . 1 . . . . 406 GLU CG . 6972 1 830 . 1 1 78 78 GLU N N 15 123.0 0.5 . 1 . . . . 406 GLU N . 6972 1 831 . 1 1 79 79 ILE H H 1 8.29 0.04 . 1 . . . . 407 ILE H . 6972 1 832 . 1 1 79 79 ILE HA H 1 4.04 0.04 . 1 . . . . 407 ILE HA . 6972 1 833 . 1 1 79 79 ILE HB H 1 1.73 0.04 . 1 . . . . 407 ILE HB . 6972 1 834 . 1 1 79 79 ILE HG12 H 1 0.87 0.04 . 2 . . . . 407 ILE HG12 . 6972 1 835 . 1 1 79 79 ILE HG13 H 1 0.77 0.04 . 2 . . . . 407 ILE HG13 . 6972 1 836 . 1 1 79 79 ILE HG21 H 1 0.27 0.04 . 1 . . . . 407 ILE HG2 . 6972 1 837 . 1 1 79 79 ILE HG22 H 1 0.27 0.04 . 1 . . . . 407 ILE HG2 . 6972 1 838 . 1 1 79 79 ILE HG23 H 1 0.27 0.04 . 1 . . . . 407 ILE HG2 . 6972 1 839 . 1 1 79 79 ILE HD11 H 1 -0.00 0.04 . 1 . . . . 407 ILE HD1 . 6972 1 840 . 1 1 79 79 ILE HD12 H 1 -0.00 0.04 . 1 . . . . 407 ILE HD1 . 6972 1 841 . 1 1 79 79 ILE HD13 H 1 -0.00 0.04 . 1 . . . . 407 ILE HD1 . 6972 1 842 . 1 1 79 79 ILE C C 13 175.1 0.5 . 1 . . . . 407 ILE C . 6972 1 843 . 1 1 79 79 ILE CA C 13 58.3 0.5 . 1 . . . . 407 ILE CA . 6972 1 844 . 1 1 79 79 ILE CB C 13 37.0 0.5 . 1 . . . . 407 ILE CB . 6972 1 845 . 1 1 79 79 ILE CG1 C 13 25.7 0.5 . 1 . . . . 407 ILE CG1 . 6972 1 846 . 1 1 79 79 ILE CG2 C 13 17.6 0.5 . 1 . . . . 407 ILE CG2 . 6972 1 847 . 1 1 79 79 ILE CD1 C 13 10.2 0.5 . 1 . . . . 407 ILE CD1 . 6972 1 848 . 1 1 79 79 ILE N N 15 127.4 0.5 . 1 . . . . 407 ILE N . 6972 1 849 . 1 1 80 80 GLN H H 1 8.57 0.04 . 1 . . . . 408 GLN H . 6972 1 850 . 1 1 80 80 GLN HA H 1 4.31 0.04 . 1 . . . . 408 GLN HA . 6972 1 851 . 1 1 80 80 GLN HB2 H 1 2.05 0.04 . 1 . . . . 408 GLN HB2 . 6972 1 852 . 1 1 80 80 GLN HB3 H 1 2.05 0.04 . 1 . . . . 408 GLN HB3 . 6972 1 853 . 1 1 80 80 GLN HG2 H 1 2.19 0.04 . 1 . . . . 408 GLN HG2 . 6972 1 854 . 1 1 80 80 GLN HG3 H 1 2.19 0.04 . 1 . . . . 408 GLN HG3 . 6972 1 855 . 1 1 80 80 GLN HE21 H 1 7.36 0.04 . 2 . . . . 408 GLN HE21 . 6972 1 856 . 1 1 80 80 GLN HE22 H 1 6.62 0.04 . 2 . . . . 408 GLN HE22 . 6972 1 857 . 1 1 80 80 GLN C C 13 174.7 0.5 . 1 . . . . 408 GLN C . 6972 1 858 . 1 1 80 80 GLN CA C 13 55.1 0.5 . 1 . . . . 408 GLN CA . 6972 1 859 . 1 1 80 80 GLN CB C 13 29.0 0.5 . 1 . . . . 408 GLN CB . 6972 1 860 . 1 1 80 80 GLN N N 15 125.9 0.5 . 1 . . . . 408 GLN N . 6972 1 861 . 1 1 80 80 GLN NE2 N 15 112.7 0.5 . 1 . . . . 408 GLN NE2 . 6972 1 862 . 1 1 81 81 GLY H H 1 7.00 0.04 . 1 . . . . 409 GLY H . 6972 1 863 . 1 1 81 81 GLY HA2 H 1 3.78 0.04 . 2 . . . . 409 GLY HA2 . 6972 1 864 . 1 1 81 81 GLY HA3 H 1 3.59 0.04 . 2 . . . . 409 GLY HA3 . 6972 1 865 . 1 1 81 81 GLY C C 13 170.2 0.5 . 1 . . . . 409 GLY C . 6972 1 866 . 1 1 81 81 GLY CA C 13 43.5 0.5 . 1 . . . . 409 GLY CA . 6972 1 867 . 1 1 81 81 GLY N N 15 108.4 0.5 . 1 . . . . 409 GLY N . 6972 1 868 . 1 1 82 82 PHE H H 1 8.40 0.04 . 1 . . . . 410 PHE H . 6972 1 869 . 1 1 82 82 PHE HA H 1 5.04 0.04 . 1 . . . . 410 PHE HA . 6972 1 870 . 1 1 82 82 PHE HB2 H 1 2.99 0.04 . 2 . . . . 410 PHE HB2 . 6972 1 871 . 1 1 82 82 PHE HB3 H 1 2.82 0.04 . 2 . . . . 410 PHE HB3 . 6972 1 872 . 1 1 82 82 PHE HD1 H 1 7.09 0.04 . 1 . . . . 410 PHE HD1 . 6972 1 873 . 1 1 82 82 PHE HD2 H 1 7.09 0.04 . 1 . . . . 410 PHE HD2 . 6972 1 874 . 1 1 82 82 PHE C C 13 173.3 0.5 . 1 . . . . 410 PHE C . 6972 1 875 . 1 1 82 82 PHE CA C 13 54.0 0.5 . 1 . . . . 410 PHE CA . 6972 1 876 . 1 1 82 82 PHE CB C 13 41.5 0.5 . 1 . . . . 410 PHE CB . 6972 1 877 . 1 1 82 82 PHE N N 15 117.9 0.5 . 1 . . . . 410 PHE N . 6972 1 878 . 1 1 83 83 PRO HA H 1 5.25 0.04 . 1 . . . . 411 PRO HA . 6972 1 879 . 1 1 83 83 PRO HB2 H 1 2.89 0.04 . 2 . . . . 411 PRO HB2 . 6972 1 880 . 1 1 83 83 PRO HB3 H 1 1.74 0.04 . 2 . . . . 411 PRO HB3 . 6972 1 881 . 1 1 83 83 PRO HG2 H 1 1.85 0.04 . 1 . . . . 411 PRO HG2 . 6972 1 882 . 1 1 83 83 PRO HG3 H 1 1.85 0.04 . 1 . . . . 411 PRO HG3 . 6972 1 883 . 1 1 83 83 PRO HD2 H 1 3.59 0.04 . 1 . . . . 411 PRO HD2 . 6972 1 884 . 1 1 83 83 PRO HD3 H 1 3.59 0.04 . 1 . . . . 411 PRO HD3 . 6972 1 885 . 1 1 83 83 PRO C C 13 177.2 0.5 . 1 . . . . 411 PRO C . 6972 1 886 . 1 1 83 83 PRO CA C 13 62.7 0.5 . 1 . . . . 411 PRO CA . 6972 1 887 . 1 1 83 83 PRO CB C 13 33.7 0.5 . 1 . . . . 411 PRO CB . 6972 1 888 . 1 1 84 84 THR H H 1 8.56 0.04 . 1 . . . . 412 THR H . 6972 1 889 . 1 1 84 84 THR HA H 1 4.67 0.04 . 1 . . . . 412 THR HA . 6972 1 890 . 1 1 84 84 THR HB H 1 4.05 0.04 . 1 . . . . 412 THR HB . 6972 1 891 . 1 1 84 84 THR HG21 H 1 1.24 0.04 . 1 . . . . 412 THR HG2 . 6972 1 892 . 1 1 84 84 THR HG22 H 1 1.24 0.04 . 1 . . . . 412 THR HG2 . 6972 1 893 . 1 1 84 84 THR HG23 H 1 1.24 0.04 . 1 . . . . 412 THR HG2 . 6972 1 894 . 1 1 84 84 THR C C 13 172.0 0.5 . 1 . . . . 412 THR C . 6972 1 895 . 1 1 84 84 THR CA C 13 62.7 0.5 . 1 . . . . 412 THR CA . 6972 1 896 . 1 1 84 84 THR CB C 13 71.5 0.5 . 1 . . . . 412 THR CB . 6972 1 897 . 1 1 84 84 THR CG2 C 13 20.6 0.5 . 1 . . . . 412 THR CG2 . 6972 1 898 . 1 1 84 84 THR N N 15 117.6 0.5 . 1 . . . . 412 THR N . 6972 1 899 . 1 1 85 85 ILE H H 1 9.80 0.04 . 1 . . . . 413 ILE H . 6972 1 900 . 1 1 85 85 ILE HA H 1 5.32 0.04 . 1 . . . . 413 ILE HA . 6972 1 901 . 1 1 85 85 ILE HB H 1 1.67 0.04 . 1 . . . . 413 ILE HB . 6972 1 902 . 1 1 85 85 ILE HG12 H 1 1.62 0.04 . 2 . . . . 413 ILE HG12 . 6972 1 903 . 1 1 85 85 ILE HG13 H 1 0.80 0.04 . 2 . . . . 413 ILE HG13 . 6972 1 904 . 1 1 85 85 ILE HG21 H 1 0.75 0.04 . 1 . . . . 413 ILE HG2 . 6972 1 905 . 1 1 85 85 ILE HG22 H 1 0.75 0.04 . 1 . . . . 413 ILE HG2 . 6972 1 906 . 1 1 85 85 ILE HG23 H 1 0.75 0.04 . 1 . . . . 413 ILE HG2 . 6972 1 907 . 1 1 85 85 ILE HD11 H 1 0.79 0.04 . 1 . . . . 413 ILE HD1 . 6972 1 908 . 1 1 85 85 ILE HD12 H 1 0.79 0.04 . 1 . . . . 413 ILE HD1 . 6972 1 909 . 1 1 85 85 ILE HD13 H 1 0.79 0.04 . 1 . . . . 413 ILE HD1 . 6972 1 910 . 1 1 85 85 ILE C C 13 173.9 0.5 . 1 . . . . 413 ILE C . 6972 1 911 . 1 1 85 85 ILE CA C 13 60.0 0.5 . 1 . . . . 413 ILE CA . 6972 1 912 . 1 1 85 85 ILE CB C 13 40.6 0.5 . 1 . . . . 413 ILE CB . 6972 1 913 . 1 1 85 85 ILE CG1 C 13 28.0 0.5 . 1 . . . . 413 ILE CG1 . 6972 1 914 . 1 1 85 85 ILE CG2 C 13 17.6 0.5 . 1 . . . . 413 ILE CG2 . 6972 1 915 . 1 1 85 85 ILE CD1 C 13 13.5 0.5 . 1 . . . . 413 ILE CD1 . 6972 1 916 . 1 1 85 85 ILE N N 15 131.1 0.5 . 1 . . . . 413 ILE N . 6972 1 917 . 1 1 86 86 LYS H H 1 9.23 0.04 . 1 . . . . 414 LYS H . 6972 1 918 . 1 1 86 86 LYS HA H 1 5.61 0.04 . 1 . . . . 414 LYS HA . 6972 1 919 . 1 1 86 86 LYS HB2 H 1 1.77 0.04 . 2 . . . . 414 LYS HB2 . 6972 1 920 . 1 1 86 86 LYS HB3 H 1 1.66 0.04 . 2 . . . . 414 LYS HB3 . 6972 1 921 . 1 1 86 86 LYS C C 13 173.5 0.5 . 1 . . . . 414 LYS C . 6972 1 922 . 1 1 86 86 LYS CA C 13 54.0 0.5 . 1 . . . . 414 LYS CA . 6972 1 923 . 1 1 86 86 LYS CB C 13 37.8 0.5 . 1 . . . . 414 LYS CB . 6972 1 924 . 1 1 86 86 LYS N N 15 125.1 0.5 . 1 . . . . 414 LYS N . 6972 1 925 . 1 1 87 87 LEU H H 1 9.46 0.04 . 1 . . . . 415 LEU H . 6972 1 926 . 1 1 87 87 LEU HA H 1 5.53 0.04 . 1 . . . . 415 LEU HA . 6972 1 927 . 1 1 87 87 LEU HB2 H 1 1.66 0.04 . 2 . . . . 415 LEU HB2 . 6972 1 928 . 1 1 87 87 LEU HB3 H 1 1.39 0.04 . 2 . . . . 415 LEU HB3 . 6972 1 929 . 1 1 87 87 LEU HG H 1 0.36 0.04 . 1 . . . . 415 LEU HG . 6972 1 930 . 1 1 87 87 LEU HD11 H 1 1.02 0.04 . 2 . . . . 415 LEU HD1 . 6972 1 931 . 1 1 87 87 LEU HD12 H 1 1.02 0.04 . 2 . . . . 415 LEU HD1 . 6972 1 932 . 1 1 87 87 LEU HD13 H 1 1.02 0.04 . 2 . . . . 415 LEU HD1 . 6972 1 933 . 1 1 87 87 LEU HD21 H 1 0.65 0.04 . 2 . . . . 415 LEU HD2 . 6972 1 934 . 1 1 87 87 LEU HD22 H 1 0.65 0.04 . 2 . . . . 415 LEU HD2 . 6972 1 935 . 1 1 87 87 LEU HD23 H 1 0.65 0.04 . 2 . . . . 415 LEU HD2 . 6972 1 936 . 1 1 87 87 LEU C C 13 174.8 0.5 . 1 . . . . 415 LEU C . 6972 1 937 . 1 1 87 87 LEU CA C 13 52.5 0.5 . 1 . . . . 415 LEU CA . 6972 1 938 . 1 1 87 87 LEU CB C 13 45.7 0.5 . 1 . . . . 415 LEU CB . 6972 1 939 . 1 1 87 87 LEU CG C 13 27.4 0.5 . 1 . . . . 415 LEU CG . 6972 1 940 . 1 1 87 87 LEU CD2 C 13 23.6 0.5 . 1 . . . . 415 LEU CD2 . 6972 1 941 . 1 1 87 87 LEU N N 15 122.9 0.5 . 1 . . . . 415 LEU N . 6972 1 942 . 1 1 88 88 TYR H H 1 9.89 0.04 . 1 . . . . 416 TYR H . 6972 1 943 . 1 1 88 88 TYR HA H 1 4.74 0.04 . 1 . . . . 416 TYR HA . 6972 1 944 . 1 1 88 88 TYR HB2 H 1 2.84 0.04 . 2 . . . . 416 TYR HB2 . 6972 1 945 . 1 1 88 88 TYR HB3 H 1 2.78 0.04 . 2 . . . . 416 TYR HB3 . 6972 1 946 . 1 1 88 88 TYR HD1 H 1 7.00 0.04 . 1 . . . . 416 TYR HD1 . 6972 1 947 . 1 1 88 88 TYR HD2 H 1 7.00 0.04 . 1 . . . . 416 TYR HD2 . 6972 1 948 . 1 1 88 88 TYR HE1 H 1 6.80 0.04 . 1 . . . . 416 TYR HE1 . 6972 1 949 . 1 1 88 88 TYR HE2 H 1 6.80 0.04 . 1 . . . . 416 TYR HE2 . 6972 1 950 . 1 1 88 88 TYR CA C 13 52.7 0.5 . 1 . . . . 416 TYR CA . 6972 1 951 . 1 1 88 88 TYR CB C 13 39.1 0.5 . 1 . . . . 416 TYR CB . 6972 1 952 . 1 1 88 88 TYR N N 15 129.5 0.5 . 1 . . . . 416 TYR N . 6972 1 953 . 1 1 89 89 PRO HA H 1 4.66 0.04 . 1 . . . . 417 PRO HA . 6972 1 954 . 1 1 89 89 PRO HB2 H 1 2.29 0.04 . 2 . . . . 417 PRO HB2 . 6972 1 955 . 1 1 89 89 PRO HB3 H 1 1.83 0.04 . 2 . . . . 417 PRO HB3 . 6972 1 956 . 1 1 89 89 PRO HG2 H 1 1.60 0.04 . 1 . . . . 417 PRO HG2 . 6972 1 957 . 1 1 89 89 PRO HG3 H 1 1.60 0.04 . 1 . . . . 417 PRO HG3 . 6972 1 958 . 1 1 89 89 PRO HD2 H 1 4.37 0.04 . 2 . . . . 417 PRO HD2 . 6972 1 959 . 1 1 89 89 PRO HD3 H 1 3.58 0.04 . 2 . . . . 417 PRO HD3 . 6972 1 960 . 1 1 89 89 PRO C C 13 175.7 0.5 . 1 . . . . 417 PRO C . 6972 1 961 . 1 1 89 89 PRO CA C 13 61.6 0.5 . 1 . . . . 417 PRO CA . 6972 1 962 . 1 1 89 89 PRO CB C 13 31.6 0.5 . 1 . . . . 417 PRO CB . 6972 1 963 . 1 1 89 89 PRO CD C 13 51.7 0.5 . 1 . . . . 417 PRO CD . 6972 1 964 . 1 1 90 90 ALA H H 1 9.45 0.04 . 1 . . . . 418 ALA H . 6972 1 965 . 1 1 90 90 ALA HA H 1 3.77 0.04 . 1 . . . . 418 ALA HA . 6972 1 966 . 1 1 90 90 ALA HB1 H 1 0.99 0.04 . 1 . . . . 418 ALA HB . 6972 1 967 . 1 1 90 90 ALA HB2 H 1 0.99 0.04 . 1 . . . . 418 ALA HB . 6972 1 968 . 1 1 90 90 ALA HB3 H 1 0.99 0.04 . 1 . . . . 418 ALA HB . 6972 1 969 . 1 1 90 90 ALA C C 13 177.3 0.5 . 1 . . . . 418 ALA C . 6972 1 970 . 1 1 90 90 ALA CA C 13 53.8 0.5 . 1 . . . . 418 ALA CA . 6972 1 971 . 1 1 90 90 ALA CB C 13 18.1 0.5 . 1 . . . . 418 ALA CB . 6972 1 972 . 1 1 90 90 ALA N N 15 129.4 0.5 . 1 . . . . 418 ALA N . 6972 1 973 . 1 1 91 91 GLY H H 1 8.49 0.04 . 1 . . . . 419 GLY H . 6972 1 974 . 1 1 91 91 GLY HA2 H 1 3.96 0.04 . 1 . . . . 419 GLY HA2 . 6972 1 975 . 1 1 91 91 GLY HA3 H 1 3.96 0.04 . 1 . . . . 419 GLY HA3 . 6972 1 976 . 1 1 91 91 GLY C C 13 174.1 0.5 . 1 . . . . 419 GLY C . 6972 1 977 . 1 1 91 91 GLY CA C 13 45.9 0.5 . 1 . . . . 419 GLY CA . 6972 1 978 . 1 1 91 91 GLY N N 15 112.6 0.5 . 1 . . . . 419 GLY N . 6972 1 979 . 1 1 92 92 ALA H H 1 7.82 0.04 . 1 . . . . 420 ALA H . 6972 1 980 . 1 1 92 92 ALA HA H 1 4.80 0.04 . 1 . . . . 420 ALA HA . 6972 1 981 . 1 1 92 92 ALA HB1 H 1 1.16 0.04 . 1 . . . . 420 ALA HB . 6972 1 982 . 1 1 92 92 ALA HB2 H 1 1.16 0.04 . 1 . . . . 420 ALA HB . 6972 1 983 . 1 1 92 92 ALA HB3 H 1 1.16 0.04 . 1 . . . . 420 ALA HB . 6972 1 984 . 1 1 92 92 ALA C C 13 176.8 0.5 . 1 . . . . 420 ALA C . 6972 1 985 . 1 1 92 92 ALA CA C 13 50.6 0.5 . 1 . . . . 420 ALA CA . 6972 1 986 . 1 1 92 92 ALA CB C 13 17.7 0.5 . 1 . . . . 420 ALA CB . 6972 1 987 . 1 1 92 92 ALA N N 15 126.1 0.5 . 1 . . . . 420 ALA N . 6972 1 988 . 1 1 93 93 LYS H H 1 9.01 0.04 . 1 . . . . 421 LYS H . 6972 1 989 . 1 1 93 93 LYS HA H 1 4.05 0.04 . 1 . . . . 421 LYS HA . 6972 1 990 . 1 1 93 93 LYS HB2 H 1 2.08 0.04 . 2 . . . . 421 LYS HB2 . 6972 1 991 . 1 1 93 93 LYS HB3 H 1 2.01 0.04 . 2 . . . . 421 LYS HB3 . 6972 1 992 . 1 1 93 93 LYS HE2 H 1 3.18 0.04 . 1 . . . . 421 LYS HE2 . 6972 1 993 . 1 1 93 93 LYS HE3 H 1 3.18 0.04 . 1 . . . . 421 LYS HE3 . 6972 1 994 . 1 1 93 93 LYS C C 13 177.3 0.5 . 1 . . . . 421 LYS C . 6972 1 995 . 1 1 93 93 LYS CA C 13 56.1 0.5 . 1 . . . . 421 LYS CA . 6972 1 996 . 1 1 93 93 LYS CB C 13 30.5 0.5 . 1 . . . . 421 LYS CB . 6972 1 997 . 1 1 93 93 LYS CG C 13 25.3 0.5 . 1 . . . . 421 LYS CG . 6972 1 998 . 1 1 93 93 LYS CD C 13 31.7 0.5 . 1 . . . . 421 LYS CD . 6972 1 999 . 1 1 93 93 LYS N N 15 118.2 0.5 . 1 . . . . 421 LYS N . 6972 1 1000 . 1 1 94 94 GLY H H 1 8.44 0.04 . 1 . . . . 422 GLY H . 6972 1 1001 . 1 1 94 94 GLY HA2 H 1 4.22 0.04 . 2 . . . . 422 GLY HA2 . 6972 1 1002 . 1 1 94 94 GLY HA3 H 1 3.69 0.04 . 2 . . . . 422 GLY HA3 . 6972 1 1003 . 1 1 94 94 GLY C C 13 173.5 0.5 . 1 . . . . 422 GLY C . 6972 1 1004 . 1 1 94 94 GLY CA C 13 44.5 0.5 . 1 . . . . 422 GLY CA . 6972 1 1005 . 1 1 94 94 GLY N N 15 104.4 0.5 . 1 . . . . 422 GLY N . 6972 1 1006 . 1 1 95 95 GLN H H 1 7.59 0.04 . 1 . . . . 423 GLN H . 6972 1 1007 . 1 1 95 95 GLN HA H 1 4.77 0.04 . 1 . . . . 423 GLN HA . 6972 1 1008 . 1 1 95 95 GLN HB2 H 1 1.84 0.04 . 1 . . . . 423 GLN HB2 . 6972 1 1009 . 1 1 95 95 GLN HB3 H 1 1.84 0.04 . 1 . . . . 423 GLN HB3 . 6972 1 1010 . 1 1 95 95 GLN HG2 H 1 2.23 0.04 . 1 . . . . 423 GLN HG2 . 6972 1 1011 . 1 1 95 95 GLN HG3 H 1 2.23 0.04 . 1 . . . . 423 GLN HG3 . 6972 1 1012 . 1 1 95 95 GLN HE21 H 1 7.40 0.04 . 2 . . . . 423 GLN HE21 . 6972 1 1013 . 1 1 95 95 GLN HE22 H 1 6.73 0.04 . 2 . . . . 423 GLN HE22 . 6972 1 1014 . 1 1 95 95 GLN C C 13 170.8 0.5 . 1 . . . . 423 GLN C . 6972 1 1015 . 1 1 95 95 GLN CA C 13 52.6 0.5 . 1 . . . . 423 GLN CA . 6972 1 1016 . 1 1 95 95 GLN CB C 13 29.3 0.5 . 1 . . . . 423 GLN CB . 6972 1 1017 . 1 1 95 95 GLN N N 15 120.5 0.5 . 1 . . . . 423 GLN N . 6972 1 1018 . 1 1 95 95 GLN NE2 N 15 112.7 0.5 . 1 . . . . 423 GLN NE2 . 6972 1 1019 . 1 1 96 96 PRO HA H 1 4.53 0.04 . 1 . . . . 424 PRO HA . 6972 1 1020 . 1 1 96 96 PRO HB2 H 1 0.95 0.04 . 2 . . . . 424 PRO HB2 . 6972 1 1021 . 1 1 96 96 PRO HB3 H 1 0.53 0.04 . 2 . . . . 424 PRO HB3 . 6972 1 1022 . 1 1 96 96 PRO HG2 H 1 1.72 0.04 . 1 . . . . 424 PRO HG2 . 6972 1 1023 . 1 1 96 96 PRO HG3 H 1 1.72 0.04 . 1 . . . . 424 PRO HG3 . 6972 1 1024 . 1 1 96 96 PRO HD2 H 1 3.43 0.04 . 2 . . . . 424 PRO HD2 . 6972 1 1025 . 1 1 96 96 PRO HD3 H 1 3.28 0.04 . 2 . . . . 424 PRO HD3 . 6972 1 1026 . 1 1 96 96 PRO C C 13 176.9 0.5 . 1 . . . . 424 PRO C . 6972 1 1027 . 1 1 96 96 PRO CA C 13 62.0 0.5 . 1 . . . . 424 PRO CA . 6972 1 1028 . 1 1 96 96 PRO CB C 13 30.7 0.5 . 1 . . . . 424 PRO CB . 6972 1 1029 . 1 1 96 96 PRO CG C 13 26.5 0.5 . 1 . . . . 424 PRO CG . 6972 1 1030 . 1 1 96 96 PRO CD C 13 49.3 0.5 . 1 . . . . 424 PRO CD . 6972 1 1031 . 1 1 97 97 VAL H H 1 8.69 0.04 . 1 . . . . 425 VAL H . 6972 1 1032 . 1 1 97 97 VAL HA H 1 4.38 0.04 . 1 . . . . 425 VAL HA . 6972 1 1033 . 1 1 97 97 VAL HB H 1 1.91 0.04 . 1 . . . . 425 VAL HB . 6972 1 1034 . 1 1 97 97 VAL HG11 H 1 1.04 0.04 . 2 . . . . 425 VAL HG1 . 6972 1 1035 . 1 1 97 97 VAL HG12 H 1 1.04 0.04 . 2 . . . . 425 VAL HG1 . 6972 1 1036 . 1 1 97 97 VAL HG13 H 1 1.04 0.04 . 2 . . . . 425 VAL HG1 . 6972 1 1037 . 1 1 97 97 VAL HG21 H 1 0.93 0.04 . 2 . . . . 425 VAL HG2 . 6972 1 1038 . 1 1 97 97 VAL HG22 H 1 0.93 0.04 . 2 . . . . 425 VAL HG2 . 6972 1 1039 . 1 1 97 97 VAL HG23 H 1 0.93 0.04 . 2 . . . . 425 VAL HG2 . 6972 1 1040 . 1 1 97 97 VAL C C 13 176.1 0.5 . 1 . . . . 425 VAL C . 6972 1 1041 . 1 1 97 97 VAL CA C 13 60.3 0.5 . 1 . . . . 425 VAL CA . 6972 1 1042 . 1 1 97 97 VAL CB C 13 33.8 0.5 . 1 . . . . 425 VAL CB . 6972 1 1043 . 1 1 97 97 VAL CG1 C 13 22.1 0.5 . 2 . . . . 425 VAL CG1 . 6972 1 1044 . 1 1 97 97 VAL CG2 C 13 20.2 0.5 . 2 . . . . 425 VAL CG2 . 6972 1 1045 . 1 1 97 97 VAL N N 15 121.4 0.5 . 1 . . . . 425 VAL N . 6972 1 1046 . 1 1 98 98 THR H H 1 9.24 0.04 . 1 . . . . 426 THR H . 6972 1 1047 . 1 1 98 98 THR HA H 1 4.63 0.04 . 1 . . . . 426 THR HA . 6972 1 1048 . 1 1 98 98 THR HB H 1 4.03 0.04 . 1 . . . . 426 THR HB . 6972 1 1049 . 1 1 98 98 THR HG21 H 1 1.05 0.04 . 1 . . . . 426 THR HG2 . 6972 1 1050 . 1 1 98 98 THR HG22 H 1 1.05 0.04 . 1 . . . . 426 THR HG2 . 6972 1 1051 . 1 1 98 98 THR HG23 H 1 1.05 0.04 . 1 . . . . 426 THR HG2 . 6972 1 1052 . 1 1 98 98 THR C C 13 173.1 0.5 . 1 . . . . 426 THR C . 6972 1 1053 . 1 1 98 98 THR CA C 13 63.2 0.5 . 1 . . . . 426 THR CA . 6972 1 1054 . 1 1 98 98 THR CB C 13 68.5 0.5 . 1 . . . . 426 THR CB . 6972 1 1055 . 1 1 98 98 THR N N 15 126.5 0.5 . 1 . . . . 426 THR N . 6972 1 1056 . 1 1 99 99 TYR H H 1 8.91 0.04 . 1 . . . . 427 TYR H . 6972 1 1057 . 1 1 99 99 TYR HA H 1 3.72 0.04 . 1 . . . . 427 TYR HA . 6972 1 1058 . 1 1 99 99 TYR HB2 H 1 2.50 0.04 . 2 . . . . 427 TYR HB2 . 6972 1 1059 . 1 1 99 99 TYR HB3 H 1 1.92 0.04 . 2 . . . . 427 TYR HB3 . 6972 1 1060 . 1 1 99 99 TYR HD1 H 1 7.10 0.04 . 1 . . . . 427 TYR HD1 . 6972 1 1061 . 1 1 99 99 TYR HD2 H 1 7.10 0.04 . 1 . . . . 427 TYR HD2 . 6972 1 1062 . 1 1 99 99 TYR C C 13 174.9 0.5 . 1 . . . . 427 TYR C . 6972 1 1063 . 1 1 99 99 TYR CA C 13 58.1 0.5 . 1 . . . . 427 TYR CA . 6972 1 1064 . 1 1 99 99 TYR CB C 13 38.5 0.5 . 1 . . . . 427 TYR CB . 6972 1 1065 . 1 1 99 99 TYR N N 15 129.9 0.5 . 1 . . . . 427 TYR N . 6972 1 1066 . 1 1 100 100 SER H H 1 8.00 0.04 . 1 . . . . 428 SER H . 6972 1 1067 . 1 1 100 100 SER HA H 1 4.37 0.04 . 1 . . . . 428 SER HA . 6972 1 1068 . 1 1 100 100 SER HB2 H 1 3.69 0.04 . 2 . . . . 428 SER HB2 . 6972 1 1069 . 1 1 100 100 SER HB3 H 1 3.55 0.04 . 2 . . . . 428 SER HB3 . 6972 1 1070 . 1 1 100 100 SER C C 13 172.9 0.5 . 1 . . . . 428 SER C . 6972 1 1071 . 1 1 100 100 SER CA C 13 56.2 0.5 . 1 . . . . 428 SER CA . 6972 1 1072 . 1 1 100 100 SER CB C 13 63.7 0.5 . 1 . . . . 428 SER CB . 6972 1 1073 . 1 1 100 100 SER N N 15 123.6 0.5 . 1 . . . . 428 SER N . 6972 1 1074 . 1 1 101 101 GLY H H 1 5.42 0.04 . 1 . . . . 429 GLY H . 6972 1 1075 . 1 1 101 101 GLY HA2 H 1 4.04 0.04 . 2 . . . . 429 GLY HA2 . 6972 1 1076 . 1 1 101 101 GLY HA3 H 1 3.73 0.04 . 2 . . . . 429 GLY HA3 . 6972 1 1077 . 1 1 101 101 GLY C C 13 173.4 0.5 . 1 . . . . 429 GLY C . 6972 1 1078 . 1 1 101 101 GLY CA C 13 44.4 0.5 . 1 . . . . 429 GLY CA . 6972 1 1079 . 1 1 101 101 GLY N N 15 108.8 0.5 . 1 . . . . 429 GLY N . 6972 1 1080 . 1 1 102 102 SER H H 1 7.87 0.04 . 1 . . . . 430 SER H . 6972 1 1081 . 1 1 102 102 SER HA H 1 4.17 0.04 . 1 . . . . 430 SER HA . 6972 1 1082 . 1 1 102 102 SER HB2 H 1 3.96 0.04 . 2 . . . . 430 SER HB2 . 6972 1 1083 . 1 1 102 102 SER HB3 H 1 3.84 0.04 . 2 . . . . 430 SER HB3 . 6972 1 1084 . 1 1 102 102 SER CA C 13 59.0 0.5 . 1 . . . . 430 SER CA . 6972 1 1085 . 1 1 102 102 SER CB C 13 63.2 0.5 . 1 . . . . 430 SER CB . 6972 1 1086 . 1 1 102 102 SER N N 15 115.3 0.5 . 1 . . . . 430 SER N . 6972 1 1087 . 1 1 103 103 ARG H H 1 9.51 0.04 . 1 . . . . 431 ARG H . 6972 1 1088 . 1 1 103 103 ARG HA H 1 4.63 0.04 . 1 . . . . 431 ARG HA . 6972 1 1089 . 1 1 103 103 ARG HB2 H 1 2.31 0.04 . 2 . . . . 431 ARG HB2 . 6972 1 1090 . 1 1 103 103 ARG HB3 H 1 2.03 0.04 . 2 . . . . 431 ARG HB3 . 6972 1 1091 . 1 1 103 103 ARG C C 13 173.8 0.5 . 1 . . . . 431 ARG C . 6972 1 1092 . 1 1 103 103 ARG CA C 13 56.9 0.5 . 1 . . . . 431 ARG CA . 6972 1 1093 . 1 1 103 103 ARG N N 15 119.2 0.5 . 1 . . . . 431 ARG N . 6972 1 1094 . 1 1 104 104 THR H H 1 7.23 0.04 . 1 . . . . 432 THR H . 6972 1 1095 . 1 1 104 104 THR HA H 1 4.48 0.04 . 1 . . . . 432 THR HA . 6972 1 1096 . 1 1 104 104 THR HB H 1 4.63 0.04 . 1 . . . . 432 THR HB . 6972 1 1097 . 1 1 104 104 THR HG21 H 1 1.22 0.04 . 1 . . . . 432 THR HG2 . 6972 1 1098 . 1 1 104 104 THR HG22 H 1 1.22 0.04 . 1 . . . . 432 THR HG2 . 6972 1 1099 . 1 1 104 104 THR HG23 H 1 1.22 0.04 . 1 . . . . 432 THR HG2 . 6972 1 1100 . 1 1 104 104 THR C C 13 174.3 0.5 . 1 . . . . 432 THR C . 6972 1 1101 . 1 1 104 104 THR CA C 13 59.0 0.5 . 1 . . . . 432 THR CA . 6972 1 1102 . 1 1 104 104 THR CB C 13 70.2 0.5 . 1 . . . . 432 THR CB . 6972 1 1103 . 1 1 104 104 THR N N 15 108.7 0.5 . 1 . . . . 432 THR N . 6972 1 1104 . 1 1 105 105 VAL H H 1 8.79 0.04 . 1 . . . . 433 VAL H . 6972 1 1105 . 1 1 105 105 VAL HA H 1 3.41 0.04 . 1 . . . . 433 VAL HA . 6972 1 1106 . 1 1 105 105 VAL HB H 1 1.96 0.04 . 1 . . . . 433 VAL HB . 6972 1 1107 . 1 1 105 105 VAL HG11 H 1 1.10 0.04 . 2 . . . . 433 VAL HG1 . 6972 1 1108 . 1 1 105 105 VAL HG12 H 1 1.10 0.04 . 2 . . . . 433 VAL HG1 . 6972 1 1109 . 1 1 105 105 VAL HG13 H 1 1.10 0.04 . 2 . . . . 433 VAL HG1 . 6972 1 1110 . 1 1 105 105 VAL HG21 H 1 0.85 0.04 . 2 . . . . 433 VAL HG2 . 6972 1 1111 . 1 1 105 105 VAL HG22 H 1 0.85 0.04 . 2 . . . . 433 VAL HG2 . 6972 1 1112 . 1 1 105 105 VAL HG23 H 1 0.85 0.04 . 2 . . . . 433 VAL HG2 . 6972 1 1113 . 1 1 105 105 VAL C C 13 177.1 0.5 . 1 . . . . 433 VAL C . 6972 1 1114 . 1 1 105 105 VAL CA C 13 67.5 0.5 . 1 . . . . 433 VAL CA . 6972 1 1115 . 1 1 105 105 VAL CB C 13 31.1 0.5 . 1 . . . . 433 VAL CB . 6972 1 1116 . 1 1 105 105 VAL CG1 C 13 23.7 0.5 . 2 . . . . 433 VAL CG1 . 6972 1 1117 . 1 1 105 105 VAL CG2 C 13 21.1 0.5 . 2 . . . . 433 VAL CG2 . 6972 1 1118 . 1 1 105 105 VAL N N 15 122.9 0.5 . 1 . . . . 433 VAL N . 6972 1 1119 . 1 1 106 106 GLU H H 1 8.86 0.04 . 1 . . . . 434 GLU H . 6972 1 1120 . 1 1 106 106 GLU HA H 1 3.90 0.04 . 1 . . . . 434 GLU HA . 6972 1 1121 . 1 1 106 106 GLU HB2 H 1 2.01 0.04 . 2 . . . . 434 GLU HB2 . 6972 1 1122 . 1 1 106 106 GLU HB3 H 1 1.96 0.04 . 2 . . . . 434 GLU HB3 . 6972 1 1123 . 1 1 106 106 GLU HG2 H 1 2.37 0.04 . 2 . . . . 434 GLU HG2 . 6972 1 1124 . 1 1 106 106 GLU HG3 H 1 2.26 0.04 . 2 . . . . 434 GLU HG3 . 6972 1 1125 . 1 1 106 106 GLU C C 13 178.5 0.5 . 1 . . . . 434 GLU C . 6972 1 1126 . 1 1 106 106 GLU CA C 13 59.8 0.5 . 1 . . . . 434 GLU CA . 6972 1 1127 . 1 1 106 106 GLU CB C 13 28.4 0.5 . 1 . . . . 434 GLU CB . 6972 1 1128 . 1 1 106 106 GLU CG C 13 37.2 0.5 . 1 . . . . 434 GLU CG . 6972 1 1129 . 1 1 106 106 GLU N N 15 117.0 0.5 . 1 . . . . 434 GLU N . 6972 1 1130 . 1 1 107 107 ASP H H 1 7.90 0.04 . 1 . . . . 435 ASP H . 6972 1 1131 . 1 1 107 107 ASP HA H 1 4.53 0.04 . 1 . . . . 435 ASP HA . 6972 1 1132 . 1 1 107 107 ASP HB2 H 1 2.68 0.04 . 1 . . . . 435 ASP HB2 . 6972 1 1133 . 1 1 107 107 ASP HB3 H 1 2.68 0.04 . 1 . . . . 435 ASP HB3 . 6972 1 1134 . 1 1 107 107 ASP C C 13 178.3 0.5 . 1 . . . . 435 ASP C . 6972 1 1135 . 1 1 107 107 ASP CA C 13 57.0 0.5 . 1 . . . . 435 ASP CA . 6972 1 1136 . 1 1 107 107 ASP CB C 13 42.3 0.5 . 1 . . . . 435 ASP CB . 6972 1 1137 . 1 1 107 107 ASP N N 15 121.2 0.5 . 1 . . . . 435 ASP N . 6972 1 1138 . 1 1 108 108 LEU H H 1 8.05 0.04 . 1 . . . . 436 LEU H . 6972 1 1139 . 1 1 108 108 LEU HA H 1 3.97 0.04 . 1 . . . . 436 LEU HA . 6972 1 1140 . 1 1 108 108 LEU HB2 H 1 2.04 0.04 . 2 . . . . 436 LEU HB2 . 6972 1 1141 . 1 1 108 108 LEU HB3 H 1 1.17 0.04 . 2 . . . . 436 LEU HB3 . 6972 1 1142 . 1 1 108 108 LEU HG H 1 1.45 0.04 . 1 . . . . 436 LEU HG . 6972 1 1143 . 1 1 108 108 LEU HD11 H 1 0.60 0.04 . 2 . . . . 436 LEU HD1 . 6972 1 1144 . 1 1 108 108 LEU HD12 H 1 0.60 0.04 . 2 . . . . 436 LEU HD1 . 6972 1 1145 . 1 1 108 108 LEU HD13 H 1 0.60 0.04 . 2 . . . . 436 LEU HD1 . 6972 1 1146 . 1 1 108 108 LEU HD21 H 1 0.00 0.04 . 2 . . . . 436 LEU HD2 . 6972 1 1147 . 1 1 108 108 LEU HD22 H 1 0.00 0.04 . 2 . . . . 436 LEU HD2 . 6972 1 1148 . 1 1 108 108 LEU HD23 H 1 0.00 0.04 . 2 . . . . 436 LEU HD2 . 6972 1 1149 . 1 1 108 108 LEU C C 13 178.2 0.5 . 1 . . . . 436 LEU C . 6972 1 1150 . 1 1 108 108 LEU CA C 13 58.0 0.5 . 1 . . . . 436 LEU CA . 6972 1 1151 . 1 1 108 108 LEU CB C 13 42.0 0.5 . 1 . . . . 436 LEU CB . 6972 1 1152 . 1 1 108 108 LEU CG C 13 27.4 0.5 . 1 . . . . 436 LEU CG . 6972 1 1153 . 1 1 108 108 LEU CD1 C 13 24.3 0.5 . 2 . . . . 436 LEU CD1 . 6972 1 1154 . 1 1 108 108 LEU CD2 C 13 22.6 0.5 . 2 . . . . 436 LEU CD2 . 6972 1 1155 . 1 1 108 108 LEU N N 15 122.9 0.5 . 1 . . . . 436 LEU N . 6972 1 1156 . 1 1 109 109 ILE H H 1 8.30 0.04 . 1 . . . . 437 ILE H . 6972 1 1157 . 1 1 109 109 ILE HA H 1 3.96 0.04 . 1 . . . . 437 ILE HA . 6972 1 1158 . 1 1 109 109 ILE HB H 1 1.77 0.04 . 1 . . . . 437 ILE HB . 6972 1 1159 . 1 1 109 109 ILE HG12 H 1 1.85 0.04 . 2 . . . . 437 ILE HG12 . 6972 1 1160 . 1 1 109 109 ILE HG13 H 1 0.95 0.04 . 2 . . . . 437 ILE HG13 . 6972 1 1161 . 1 1 109 109 ILE HG21 H 1 0.95 0.04 . 1 . . . . 437 ILE HG2 . 6972 1 1162 . 1 1 109 109 ILE HG22 H 1 0.95 0.04 . 1 . . . . 437 ILE HG2 . 6972 1 1163 . 1 1 109 109 ILE HG23 H 1 0.95 0.04 . 1 . . . . 437 ILE HG2 . 6972 1 1164 . 1 1 109 109 ILE HD11 H 1 0.75 0.04 . 1 . . . . 437 ILE HD1 . 6972 1 1165 . 1 1 109 109 ILE HD12 H 1 0.75 0.04 . 1 . . . . 437 ILE HD1 . 6972 1 1166 . 1 1 109 109 ILE HD13 H 1 0.75 0.04 . 1 . . . . 437 ILE HD1 . 6972 1 1167 . 1 1 109 109 ILE C C 13 177.5 0.5 . 1 . . . . 437 ILE C . 6972 1 1168 . 1 1 109 109 ILE CA C 13 65.0 0.5 . 1 . . . . 437 ILE CA . 6972 1 1169 . 1 1 109 109 ILE CB C 13 38.3 0.5 . 1 . . . . 437 ILE CB . 6972 1 1170 . 1 1 109 109 ILE CG1 C 13 28.6 0.5 . 1 . . . . 437 ILE CG1 . 6972 1 1171 . 1 1 109 109 ILE CG2 C 13 16.4 0.5 . 1 . . . . 437 ILE CG2 . 6972 1 1172 . 1 1 109 109 ILE CD1 C 13 14.5 0.5 . 1 . . . . 437 ILE CD1 . 6972 1 1173 . 1 1 109 109 ILE N N 15 121.2 0.5 . 1 . . . . 437 ILE N . 6972 1 1174 . 1 1 110 110 LYS H H 1 7.40 0.04 . 1 . . . . 438 LYS H . 6972 1 1175 . 1 1 110 110 LYS HA H 1 3.93 0.04 . 1 . . . . 438 LYS HA . 6972 1 1176 . 1 1 110 110 LYS HB2 H 1 2.02 0.04 . 2 . . . . 438 LYS HB2 . 6972 1 1177 . 1 1 110 110 LYS HB3 H 1 1.91 0.04 . 2 . . . . 438 LYS HB3 . 6972 1 1178 . 1 1 110 110 LYS HG2 H 1 1.40 0.04 . 1 . . . . 438 LYS HG2 . 6972 1 1179 . 1 1 110 110 LYS HG3 H 1 1.40 0.04 . 1 . . . . 438 LYS HG3 . 6972 1 1180 . 1 1 110 110 LYS HD2 H 1 1.76 0.04 . 1 . . . . 438 LYS HD2 . 6972 1 1181 . 1 1 110 110 LYS HD3 H 1 1.76 0.04 . 1 . . . . 438 LYS HD3 . 6972 1 1182 . 1 1 110 110 LYS HE2 H 1 3.03 0.04 . 1 . . . . 438 LYS HE2 . 6972 1 1183 . 1 1 110 110 LYS HE3 H 1 3.03 0.04 . 1 . . . . 438 LYS HE3 . 6972 1 1184 . 1 1 110 110 LYS C C 13 177.5 0.5 . 1 . . . . 438 LYS C . 6972 1 1185 . 1 1 110 110 LYS CA C 13 59.2 0.5 . 1 . . . . 438 LYS CA . 6972 1 1186 . 1 1 110 110 LYS CB C 13 31.9 0.5 . 1 . . . . 438 LYS CB . 6972 1 1187 . 1 1 110 110 LYS N N 15 119.4 0.5 . 1 . . . . 438 LYS N . 6972 1 1188 . 1 1 111 111 PHE H H 1 8.09 0.04 . 1 . . . . 439 PHE H . 6972 1 1189 . 1 1 111 111 PHE HA H 1 4.45 0.04 . 1 . . . . 439 PHE HA . 6972 1 1190 . 1 1 111 111 PHE HB2 H 1 3.62 0.04 . 2 . . . . 439 PHE HB2 . 6972 1 1191 . 1 1 111 111 PHE HB3 H 1 3.48 0.04 . 2 . . . . 439 PHE HB3 . 6972 1 1192 . 1 1 111 111 PHE HD1 H 1 6.45 0.04 . 1 . . . . 439 PHE HD1 . 6972 1 1193 . 1 1 111 111 PHE HD2 H 1 6.45 0.04 . 1 . . . . 439 PHE HD2 . 6972 1 1194 . 1 1 111 111 PHE C C 13 178.3 0.5 . 1 . . . . 439 PHE C . 6972 1 1195 . 1 1 111 111 PHE CA C 13 60.5 0.5 . 1 . . . . 439 PHE CA . 6972 1 1196 . 1 1 111 111 PHE CB C 13 39.5 0.5 . 1 . . . . 439 PHE CB . 6972 1 1197 . 1 1 111 111 PHE N N 15 120.2 0.5 . 1 . . . . 439 PHE N . 6972 1 1198 . 1 1 112 112 ILE H H 1 8.28 0.04 . 1 . . . . 440 ILE H . 6972 1 1199 . 1 1 112 112 ILE HA H 1 3.21 0.04 . 1 . . . . 440 ILE HA . 6972 1 1200 . 1 1 112 112 ILE HB H 1 2.16 0.04 . 1 . . . . 440 ILE HB . 6972 1 1201 . 1 1 112 112 ILE HG12 H 1 2.12 0.04 . 2 . . . . 440 ILE HG12 . 6972 1 1202 . 1 1 112 112 ILE HG13 H 1 0.66 0.04 . 2 . . . . 440 ILE HG13 . 6972 1 1203 . 1 1 112 112 ILE HG21 H 1 0.66 0.04 . 1 . . . . 440 ILE HG2 . 6972 1 1204 . 1 1 112 112 ILE HG22 H 1 0.66 0.04 . 1 . . . . 440 ILE HG2 . 6972 1 1205 . 1 1 112 112 ILE HG23 H 1 0.66 0.04 . 1 . . . . 440 ILE HG2 . 6972 1 1206 . 1 1 112 112 ILE HD11 H 1 0.68 0.04 . 1 . . . . 440 ILE HD1 . 6972 1 1207 . 1 1 112 112 ILE HD12 H 1 0.68 0.04 . 1 . . . . 440 ILE HD1 . 6972 1 1208 . 1 1 112 112 ILE HD13 H 1 0.68 0.04 . 1 . . . . 440 ILE HD1 . 6972 1 1209 . 1 1 112 112 ILE C C 13 178.7 0.5 . 1 . . . . 440 ILE C . 6972 1 1210 . 1 1 112 112 ILE CA C 13 65.1 0.5 . 1 . . . . 440 ILE CA . 6972 1 1211 . 1 1 112 112 ILE CB C 13 38.0 0.5 . 1 . . . . 440 ILE CB . 6972 1 1212 . 1 1 112 112 ILE CG1 C 13 29.8 0.5 . 1 . . . . 440 ILE CG1 . 6972 1 1213 . 1 1 112 112 ILE CG2 C 13 17.1 0.5 . 1 . . . . 440 ILE CG2 . 6972 1 1214 . 1 1 112 112 ILE CD1 C 13 14.9 0.5 . 1 . . . . 440 ILE CD1 . 6972 1 1215 . 1 1 112 112 ILE N N 15 122.9 0.5 . 1 . . . . 440 ILE N . 6972 1 1216 . 1 1 113 113 ALA H H 1 8.76 0.04 . 1 . . . . 441 ALA H . 6972 1 1217 . 1 1 113 113 ALA HA H 1 3.76 0.04 . 1 . . . . 441 ALA HA . 6972 1 1218 . 1 1 113 113 ALA HB1 H 1 1.29 0.04 . 1 . . . . 441 ALA HB . 6972 1 1219 . 1 1 113 113 ALA HB2 H 1 1.29 0.04 . 1 . . . . 441 ALA HB . 6972 1 1220 . 1 1 113 113 ALA HB3 H 1 1.29 0.04 . 1 . . . . 441 ALA HB . 6972 1 1221 . 1 1 113 113 ALA C C 13 179.4 0.5 . 1 . . . . 441 ALA C . 6972 1 1222 . 1 1 113 113 ALA CA C 13 54.6 0.5 . 1 . . . . 441 ALA CA . 6972 1 1223 . 1 1 113 113 ALA CB C 13 17.9 0.5 . 1 . . . . 441 ALA CB . 6972 1 1224 . 1 1 113 113 ALA N N 15 124.5 0.5 . 1 . . . . 441 ALA N . 6972 1 1225 . 1 1 114 114 GLU H H 1 8.37 0.04 . 1 . . . . 442 GLU H . 6972 1 1226 . 1 1 114 114 GLU HA H 1 4.08 0.04 . 1 . . . . 442 GLU HA . 6972 1 1227 . 1 1 114 114 GLU HB2 H 1 2.02 0.04 . 2 . . . . 442 GLU HB2 . 6972 1 1228 . 1 1 114 114 GLU HB3 H 1 1.90 0.04 . 2 . . . . 442 GLU HB3 . 6972 1 1229 . 1 1 114 114 GLU HG2 H 1 2.49 0.04 . 2 . . . . 442 GLU HG2 . 6972 1 1230 . 1 1 114 114 GLU HG3 H 1 2.16 0.04 . 2 . . . . 442 GLU HG3 . 6972 1 1231 . 1 1 114 114 GLU C C 13 177.8 0.5 . 1 . . . . 442 GLU C . 6972 1 1232 . 1 1 114 114 GLU CA C 13 57.4 0.5 . 1 . . . . 442 GLU CA . 6972 1 1233 . 1 1 114 114 GLU CB C 13 29.9 0.5 . 1 . . . . 442 GLU CB . 6972 1 1234 . 1 1 114 114 GLU CG C 13 36.5 0.5 . 1 . . . . 442 GLU CG . 6972 1 1235 . 1 1 114 114 GLU N N 15 114.3 0.5 . 1 . . . . 442 GLU N . 6972 1 1236 . 1 1 115 115 ASN H H 1 7.20 0.04 . 1 . . . . 443 ASN H . 6972 1 1237 . 1 1 115 115 ASN HA H 1 4.74 0.04 . 1 . . . . 443 ASN HA . 6972 1 1238 . 1 1 115 115 ASN HB2 H 1 2.17 0.04 . 2 . . . . 443 ASN HB2 . 6972 1 1239 . 1 1 115 115 ASN HB3 H 1 1.88 0.04 . 2 . . . . 443 ASN HB3 . 6972 1 1240 . 1 1 115 115 ASN HD21 H 1 7.51 0.04 . 2 . . . . 443 ASN HD21 . 6972 1 1241 . 1 1 115 115 ASN HD22 H 1 7.26 0.04 . 2 . . . . 443 ASN HD22 . 6972 1 1242 . 1 1 115 115 ASN C C 13 174.1 0.5 . 1 . . . . 443 ASN C . 6972 1 1243 . 1 1 115 115 ASN CA C 13 53.2 0.5 . 1 . . . . 443 ASN CA . 6972 1 1244 . 1 1 115 115 ASN CB C 13 40.9 0.5 . 1 . . . . 443 ASN CB . 6972 1 1245 . 1 1 115 115 ASN N N 15 113.5 0.5 . 1 . . . . 443 ASN N . 6972 1 1246 . 1 1 115 115 ASN ND2 N 15 120.5 0.5 . 1 . . . . 443 ASN ND2 . 6972 1 1247 . 1 1 116 116 GLY H H 1 7.79 0.04 . 1 . . . . 444 GLY H . 6972 1 1248 . 1 1 116 116 GLY HA2 H 1 3.97 0.04 . 2 . . . . 444 GLY HA2 . 6972 1 1249 . 1 1 116 116 GLY HA3 H 1 3.65 0.04 . 2 . . . . 444 GLY HA3 . 6972 1 1250 . 1 1 116 116 GLY C C 13 172.7 0.5 . 1 . . . . 444 GLY C . 6972 1 1251 . 1 1 116 116 GLY CA C 13 43.4 0.5 . 1 . . . . 444 GLY CA . 6972 1 1252 . 1 1 116 116 GLY N N 15 108.9 0.5 . 1 . . . . 444 GLY N . 6972 1 1253 . 1 1 117 117 LYS H H 1 10.50 0.04 . 1 . . . . 445 LYS H . 6972 1 1254 . 1 1 117 117 LYS HA H 1 3.87 0.04 . 1 . . . . 445 LYS HA . 6972 1 1255 . 1 1 117 117 LYS HB2 H 1 2.06 0.04 . 2 . . . . 445 LYS HB2 . 6972 1 1256 . 1 1 117 117 LYS HB3 H 1 1.01 0.04 . 2 . . . . 445 LYS HB3 . 6972 1 1257 . 1 1 117 117 LYS HG2 H 1 1.55 0.04 . 1 . . . . 445 LYS HG2 . 6972 1 1258 . 1 1 117 117 LYS HG3 H 1 1.55 0.04 . 1 . . . . 445 LYS HG3 . 6972 1 1259 . 1 1 117 117 LYS C C 13 179.3 0.5 . 1 . . . . 445 LYS C . 6972 1 1260 . 1 1 117 117 LYS CA C 13 58.5 0.5 . 1 . . . . 445 LYS CA . 6972 1 1261 . 1 1 117 117 LYS CB C 13 32.9 0.5 . 1 . . . . 445 LYS CB . 6972 1 1262 . 1 1 117 117 LYS CG C 13 25.6 0.5 . 1 . . . . 445 LYS CG . 6972 1 1263 . 1 1 117 117 LYS N N 15 126.1 0.5 . 1 . . . . 445 LYS N . 6972 1 1264 . 1 1 118 118 TYR H H 1 8.64 0.04 . 1 . . . . 446 TYR H . 6972 1 1265 . 1 1 118 118 TYR HA H 1 4.24 0.04 . 1 . . . . 446 TYR HA . 6972 1 1266 . 1 1 118 118 TYR HB2 H 1 3.16 0.04 . 2 . . . . 446 TYR HB2 . 6972 1 1267 . 1 1 118 118 TYR HB3 H 1 2.53 0.04 . 2 . . . . 446 TYR HB3 . 6972 1 1268 . 1 1 118 118 TYR HD1 H 1 7.27 0.04 . 1 . . . . 446 TYR HD1 . 6972 1 1269 . 1 1 118 118 TYR HD2 H 1 7.27 0.04 . 1 . . . . 446 TYR HD2 . 6972 1 1270 . 1 1 118 118 TYR HE1 H 1 6.85 0.04 . 1 . . . . 446 TYR HE1 . 6972 1 1271 . 1 1 118 118 TYR HE2 H 1 6.85 0.04 . 1 . . . . 446 TYR HE2 . 6972 1 1272 . 1 1 118 118 TYR C C 13 174.0 0.5 . 1 . . . . 446 TYR C . 6972 1 1273 . 1 1 118 118 TYR CA C 13 59.0 0.5 . 1 . . . . 446 TYR CA . 6972 1 1274 . 1 1 118 118 TYR CB C 13 36.9 0.5 . 1 . . . . 446 TYR CB . 6972 1 1275 . 1 1 118 118 TYR N N 15 116.0 0.5 . 1 . . . . 446 TYR N . 6972 1 1276 . 1 1 119 119 LYS H H 1 7.50 0.04 . 1 . . . . 447 LYS H . 6972 1 1277 . 1 1 119 119 LYS HA H 1 4.35 0.04 . 1 . . . . 447 LYS HA . 6972 1 1278 . 1 1 119 119 LYS HB2 H 1 1.90 0.04 . 2 . . . . 447 LYS HB2 . 6972 1 1279 . 1 1 119 119 LYS HB3 H 1 1.78 0.04 . 2 . . . . 447 LYS HB3 . 6972 1 1280 . 1 1 119 119 LYS HG2 H 1 1.32 0.04 . 1 . . . . 447 LYS HG2 . 6972 1 1281 . 1 1 119 119 LYS HG3 H 1 1.32 0.04 . 1 . . . . 447 LYS HG3 . 6972 1 1282 . 1 1 119 119 LYS HD2 H 1 1.63 0.04 . 1 . . . . 447 LYS HD2 . 6972 1 1283 . 1 1 119 119 LYS HD3 H 1 1.63 0.04 . 1 . . . . 447 LYS HD3 . 6972 1 1284 . 1 1 119 119 LYS HE2 H 1 3.02 0.04 . 1 . . . . 447 LYS HE2 . 6972 1 1285 . 1 1 119 119 LYS HE3 H 1 3.02 0.04 . 1 . . . . 447 LYS HE3 . 6972 1 1286 . 1 1 119 119 LYS C C 13 176.3 0.5 . 1 . . . . 447 LYS C . 6972 1 1287 . 1 1 119 119 LYS CA C 13 55.3 0.5 . 1 . . . . 447 LYS CA . 6972 1 1288 . 1 1 119 119 LYS CB C 13 29.0 0.5 . 1 . . . . 447 LYS CB . 6972 1 1289 . 1 1 119 119 LYS N N 15 119.9 0.5 . 1 . . . . 447 LYS N . 6972 1 1290 . 1 1 120 120 ALA H H 1 8.05 0.04 . 1 . . . . 448 ALA H . 6972 1 1291 . 1 1 120 120 ALA HA H 1 3.03 0.04 . 1 . . . . 448 ALA HA . 6972 1 1292 . 1 1 120 120 ALA HB1 H 1 0.79 0.04 . 1 . . . . 448 ALA HB . 6972 1 1293 . 1 1 120 120 ALA HB2 H 1 0.79 0.04 . 1 . . . . 448 ALA HB . 6972 1 1294 . 1 1 120 120 ALA HB3 H 1 0.79 0.04 . 1 . . . . 448 ALA HB . 6972 1 1295 . 1 1 120 120 ALA C C 13 174.1 0.5 . 1 . . . . 448 ALA C . 6972 1 1296 . 1 1 120 120 ALA CA C 13 52.0 0.5 . 1 . . . . 448 ALA CA . 6972 1 1297 . 1 1 120 120 ALA CB C 13 20.1 0.5 . 1 . . . . 448 ALA CB . 6972 1 1298 . 1 1 120 120 ALA N N 15 123.7 0.5 . 1 . . . . 448 ALA N . 6972 1 1299 . 1 1 121 121 ALA H H 1 7.28 0.04 . 1 . . . . 449 ALA H . 6972 1 1300 . 1 1 121 121 ALA HA H 1 3.93 0.04 . 1 . . . . 449 ALA HA . 6972 1 1301 . 1 1 121 121 ALA HB1 H 1 1.19 0.04 . 1 . . . . 449 ALA HB . 6972 1 1302 . 1 1 121 121 ALA HB2 H 1 1.19 0.04 . 1 . . . . 449 ALA HB . 6972 1 1303 . 1 1 121 121 ALA HB3 H 1 1.19 0.04 . 1 . . . . 449 ALA HB . 6972 1 1304 . 1 1 121 121 ALA CA C 13 53.0 0.5 . 1 . . . . 449 ALA CA . 6972 1 1305 . 1 1 121 121 ALA CB C 13 20.7 0.5 . 1 . . . . 449 ALA CB . 6972 1 1306 . 1 1 121 121 ALA N N 15 131.5 0.5 . 1 . . . . 449 ALA N . 6972 1 stop_ save_