data_17776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17776 _Entry.Title ; Solution structure of the chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-10 _Entry.Accession_date 2011-07-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Murray Coles . . . 17776 2 Hedda Ferris . U. . 17776 3 Michael Hulko . . . 17776 4 Joerg Martin . . . 17776 5 Andrei Lupas . N. . 17776 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17776 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'gearbox model' . 17776 'HAMP domain' . 17776 'histidine kinase' . 17776 'transmembrane signaling' . 17776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 17776 '15N chemical shifts' 101 17776 '1H chemical shifts' 627 17776 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-15 2011-07-10 update BMRB 'update entry citation' 17776 1 . . 2011-08-16 2011-07-10 original author 'original release' 17776 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17775 'Af1503 HAMP- EnvZ DHp' 17776 PDB 2LFS 'BMRB Entry Tracking System' 17776 PDB 3ZRV 'crystal structure (A291F variant)' 17776 PDB 3ZRW 'crystal structure (A291V variant)' 17776 PDB 3ZRX 'crystal structure' 17776 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17776 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22244755 _Citation.Full_citation . _Citation.Title 'Mechanism of regulation of receptor histidine kinases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 56 _Citation.Page_last 66 _Citation.Year 2012 _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 Hedda Ferris . U. . 17776 1 2 Stanislaw Dunin-Horkawicz . . . 17776 1 3 Nora Hornig . . . 17776 1 4 Michael Hulko . . . 17776 1 5 Jorg Martin . . . 17776 1 6 Joachim Schultz . E. . 17776 1 7 Kornelius Zeth . . . 17776 1 8 Andrei Lupas . N. . 17776 1 9 Murray Coles . . . 17776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17776 _Assembly.ID 1 _Assembly.Name 'chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HAMP-DHpF, chain 1' 1 $HAMP-DHpF A . yes native no no . . . 17776 1 2 'HAMP-DHpF, chain 2' 1 $HAMP-DHpF B . yes native no no . . . 17776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HAMP-DHpF _Entity.Sf_category entity _Entity.Sf_framecode HAMP-DHpF _Entity.Entry_ID 17776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HAMP-DHpF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSTITRPIIELSNTFDKIAE GNLEAEVPHQNRADEIGILA KSIERLRRSLKQLADDRTLL MAGVSHDLRTPLTRIRLATE MMSEQDGYLAESINKDIEEC NAIIEQFIDYLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 277-326 are derived from Af1503, residues 327-388 are E. coli EnvZ residues 228-289' _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Af1503 HAMP-EnvZ DHp' _Entity.Mutation 'T277M, A291F' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12872.684 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17775 . HAMP-DHp . . . . . 100.00 112 99.11 99.11 2.07e-72 . . . . 17776 1 2 no PDB 2LFR . "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer" . . . . . 99.11 114 99.10 99.10 1.09e-71 . . . . 17776 1 3 no PDB 2LFS . "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer; A219f Variant" . . . . . 99.11 114 100.00 100.00 4.62e-73 . . . . 17776 1 4 no PDB 3ZCC . "High Resolution Structure Of The Asymmetric R333g Hamp-Dhp Mutant" . . . . . 99.11 114 98.20 98.20 1.45e-70 . . . . 17776 1 5 no PDB 3ZRV . "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Asymmetry - A291f Mutant" . . . . . 100.00 116 100.00 100.00 1.17e-73 . . . . 17776 1 6 no PDB 3ZRW . "The Structure Of The Dimeric Hamp-Dhp Fusion A291v Mutant" . . . . . 100.00 116 99.11 99.11 1.07e-72 . . . . 17776 1 7 no PDB 3ZRX . "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Strong Asymmetry" . . . . . 100.00 115 100.00 100.00 9.91e-74 . . . . 17776 1 8 no PDB 4CTI . "Escherichia Coli Envz Histidine Kinase Catalytic Part Fused To Archaeoglobus Fulgidus Af1503 Hamp Domain" . . . . . 100.00 273 100.00 100.00 4.02e-72 . . . . 17776 1 9 no GB ESL47213 . "osmolarity sensor protein envZ, partial [Klebsiella pneumoniae BIDMC 25]" . . . . . 50.00 218 98.21 98.21 1.68e-29 . . . . 17776 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 1 277 MET . 17776 1 2 278 SER . 17776 1 3 279 THR . 17776 1 4 280 ILE . 17776 1 5 281 THR . 17776 1 6 282 ARG . 17776 1 7 283 PRO . 17776 1 8 284 ILE . 17776 1 9 285 ILE . 17776 1 10 286 GLU . 17776 1 11 287 LEU . 17776 1 12 288 SER . 17776 1 13 289 ASN . 17776 1 14 290 THR . 17776 1 15 291 PHE . 17776 1 16 292 ASP . 17776 1 17 293 LYS . 17776 1 18 294 ILE . 17776 1 19 295 ALA . 17776 1 20 296 GLU . 17776 1 21 297 GLY . 17776 1 22 298 ASN . 17776 1 23 299 LEU . 17776 1 24 300 GLU . 17776 1 25 301 ALA . 17776 1 26 302 GLU . 17776 1 27 303 VAL . 17776 1 28 304 PRO . 17776 1 29 305 HIS . 17776 1 30 306 GLN . 17776 1 31 307 ASN . 17776 1 32 308 ARG . 17776 1 33 309 ALA . 17776 1 34 310 ASP . 17776 1 35 311 GLU . 17776 1 36 312 ILE . 17776 1 37 313 GLY . 17776 1 38 314 ILE . 17776 1 39 315 LEU . 17776 1 40 316 ALA . 17776 1 41 317 LYS . 17776 1 42 318 SER . 17776 1 43 319 ILE . 17776 1 44 320 GLU . 17776 1 45 321 ARG . 17776 1 46 322 LEU . 17776 1 47 323 ARG . 17776 1 48 324 ARG . 17776 1 49 325 SER . 17776 1 50 326 LEU . 17776 1 51 327 LYS . 17776 1 52 328 GLN . 17776 1 53 329 LEU . 17776 1 54 330 ALA . 17776 1 55 331 ASP . 17776 1 56 332 ASP . 17776 1 57 333 ARG . 17776 1 58 334 THR . 17776 1 59 335 LEU . 17776 1 60 336 LEU . 17776 1 61 337 MET . 17776 1 62 338 ALA . 17776 1 63 339 GLY . 17776 1 64 340 VAL . 17776 1 65 341 SER . 17776 1 66 342 HIS . 17776 1 67 343 ASP . 17776 1 68 344 LEU . 17776 1 69 345 ARG . 17776 1 70 346 THR . 17776 1 71 347 PRO . 17776 1 72 348 LEU . 17776 1 73 349 THR . 17776 1 74 350 ARG . 17776 1 75 351 ILE . 17776 1 76 352 ARG . 17776 1 77 353 LEU . 17776 1 78 354 ALA . 17776 1 79 355 THR . 17776 1 80 356 GLU . 17776 1 81 357 MET . 17776 1 82 358 MET . 17776 1 83 359 SER . 17776 1 84 360 GLU . 17776 1 85 361 GLN . 17776 1 86 362 ASP . 17776 1 87 363 GLY . 17776 1 88 364 TYR . 17776 1 89 365 LEU . 17776 1 90 366 ALA . 17776 1 91 367 GLU . 17776 1 92 368 SER . 17776 1 93 369 ILE . 17776 1 94 370 ASN . 17776 1 95 371 LYS . 17776 1 96 372 ASP . 17776 1 97 373 ILE . 17776 1 98 374 GLU . 17776 1 99 375 GLU . 17776 1 100 376 CYS . 17776 1 101 377 ASN . 17776 1 102 378 ALA . 17776 1 103 379 ILE . 17776 1 104 380 ILE . 17776 1 105 381 GLU . 17776 1 106 382 GLN . 17776 1 107 383 PHE . 17776 1 108 384 ILE . 17776 1 109 385 ASP . 17776 1 110 386 TYR . 17776 1 111 387 LEU . 17776 1 112 388 ARG . 17776 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17776 1 . SER 2 2 17776 1 . THR 3 3 17776 1 . ILE 4 4 17776 1 . THR 5 5 17776 1 . ARG 6 6 17776 1 . PRO 7 7 17776 1 . ILE 8 8 17776 1 . ILE 9 9 17776 1 . GLU 10 10 17776 1 . LEU 11 11 17776 1 . SER 12 12 17776 1 . ASN 13 13 17776 1 . THR 14 14 17776 1 . PHE 15 15 17776 1 . ASP 16 16 17776 1 . LYS 17 17 17776 1 . ILE 18 18 17776 1 . ALA 19 19 17776 1 . GLU 20 20 17776 1 . GLY 21 21 17776 1 . ASN 22 22 17776 1 . LEU 23 23 17776 1 . GLU 24 24 17776 1 . ALA 25 25 17776 1 . GLU 26 26 17776 1 . VAL 27 27 17776 1 . PRO 28 28 17776 1 . HIS 29 29 17776 1 . GLN 30 30 17776 1 . ASN 31 31 17776 1 . ARG 32 32 17776 1 . ALA 33 33 17776 1 . ASP 34 34 17776 1 . GLU 35 35 17776 1 . ILE 36 36 17776 1 . GLY 37 37 17776 1 . ILE 38 38 17776 1 . LEU 39 39 17776 1 . ALA 40 40 17776 1 . LYS 41 41 17776 1 . SER 42 42 17776 1 . ILE 43 43 17776 1 . GLU 44 44 17776 1 . ARG 45 45 17776 1 . LEU 46 46 17776 1 . ARG 47 47 17776 1 . ARG 48 48 17776 1 . SER 49 49 17776 1 . LEU 50 50 17776 1 . LYS 51 51 17776 1 . GLN 52 52 17776 1 . LEU 53 53 17776 1 . ALA 54 54 17776 1 . ASP 55 55 17776 1 . ASP 56 56 17776 1 . ARG 57 57 17776 1 . THR 58 58 17776 1 . LEU 59 59 17776 1 . LEU 60 60 17776 1 . MET 61 61 17776 1 . ALA 62 62 17776 1 . GLY 63 63 17776 1 . VAL 64 64 17776 1 . SER 65 65 17776 1 . HIS 66 66 17776 1 . ASP 67 67 17776 1 . LEU 68 68 17776 1 . ARG 69 69 17776 1 . THR 70 70 17776 1 . PRO 71 71 17776 1 . LEU 72 72 17776 1 . THR 73 73 17776 1 . ARG 74 74 17776 1 . ILE 75 75 17776 1 . ARG 76 76 17776 1 . LEU 77 77 17776 1 . ALA 78 78 17776 1 . THR 79 79 17776 1 . GLU 80 80 17776 1 . MET 81 81 17776 1 . MET 82 82 17776 1 . SER 83 83 17776 1 . GLU 84 84 17776 1 . GLN 85 85 17776 1 . ASP 86 86 17776 1 . GLY 87 87 17776 1 . TYR 88 88 17776 1 . LEU 89 89 17776 1 . ALA 90 90 17776 1 . GLU 91 91 17776 1 . SER 92 92 17776 1 . ILE 93 93 17776 1 . ASN 94 94 17776 1 . LYS 95 95 17776 1 . ASP 96 96 17776 1 . ILE 97 97 17776 1 . GLU 98 98 17776 1 . GLU 99 99 17776 1 . CYS 100 100 17776 1 . ASN 101 101 17776 1 . ALA 102 102 17776 1 . ILE 103 103 17776 1 . ILE 104 104 17776 1 . GLU 105 105 17776 1 . GLN 106 106 17776 1 . PHE 107 107 17776 1 . ILE 108 108 17776 1 . ASP 109 109 17776 1 . TYR 110 110 17776 1 . LEU 111 111 17776 1 . ARG 112 112 17776 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 17776 _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 $HAMP-DHpF . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17776 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 17776 _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 $HAMP-DHpF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET30b . . . . . . 17776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N_labeled _Sample.Entry_ID 17776 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAMP-DHpF '[U-100% 15N]' . . 1 $HAMP-DHpF . . 0.6 . . mM . . . . 17776 1 2 'phosphate buffer' 'natural abundance' . . . . . . 12 . . mM . . . . 17776 1 3 'sodium chloride' 'natural abundance' . . . . . . 138 . . mM . . . . 17776 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17776 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17776 1 stop_ save_ save_double_labeled _Sample.Sf_category sample _Sample.Sf_framecode double_labeled _Sample.Entry_ID 17776 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAMP-DHpF '[U-100% 13C; U-100% 15N]' . . 1 $HAMP-DHpF . . 0.6 . . mM . . . . 17776 2 2 'phosphate buffer' 'natural abundance' . . . . . . 12 . . mM . . . . 17776 2 3 'sodium chloride' 'natural abundance' . . . . . . 138 . . mM . . . . 17776 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17776 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17776 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17776 _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 'ionic strength' 0.150 . M 17776 1 pH 7.1 . pH 17776 1 pressure 1 . atm 17776 1 temperature 308 . K 17776 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17776 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17776 1 processing 17776 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17776 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17776 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17776 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17776 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17776 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17776 3 'structure solution' 17776 3 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 17776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17776 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17776 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17776 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17776 1 2 spectrometer_2 Bruker AvanceIII . 800 . . . 17776 1 3 spectrometer_3 Bruker Avance . 900 . . . 17776 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17776 _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 '3D HNCO' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 2 '3D HNCA' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 4 '3D CCH-TOCSY' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17776 1 6 '3D NNH NOESY' no . . . . . . . . . . 1 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17776 1 8 '3D CNH NOESY' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17776 1 9 '3D CCH NOESY' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17776 1 10 '2D 12C filtered/13C edited NOESY' no . . . . . . . . . . 2 $double_labeled isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17776 1 11 '2D 12C/14N filtered 1H-1H NOESY' no . . . . . . . . . . 1 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17776 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 13 '2D 1H-15N antiTROSY' no . . . . . . . . . . 1 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17776 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17776 _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 2.60 internal indirect 0.251449530 . . . . . . . . . 17776 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17776 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.10132912 . . . . . . . . . 17776 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 17776 1 3 '3D CBCA(CO)NH' . . . 17776 1 4 '3D CCH-TOCSY' . . . 17776 1 11 '2D 12C/14N filtered 1H-1H NOESY' . . . 17776 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 THR HA H 1 4.37 0.02 . 1 . . . A 281 THR HA . 17776 1 2 . 1 1 5 5 THR HB H 1 4.30 0.02 . 1 . . . A 281 THR HB . 17776 1 3 . 1 1 5 5 THR HG21 H 1 1.26 0.02 . 1 . . . A 281 THR HG21 . 17776 1 4 . 1 1 5 5 THR HG22 H 1 1.26 0.02 . 1 . . . A 281 THR HG22 . 17776 1 5 . 1 1 5 5 THR HG23 H 1 1.26 0.02 . 1 . . . A 281 THR HG23 . 17776 1 6 . 1 1 5 5 THR CA C 13 62.69 0.05 . 1 . . . A 281 THR CA . 17776 1 7 . 1 1 5 5 THR CB C 13 69.73 0.05 . 1 . . . A 281 THR CB . 17776 1 8 . 1 1 5 5 THR CG2 C 13 21.82 0.05 . 1 . . . A 281 THR CG2 . 17776 1 9 . 1 1 7 7 PRO HA H 1 4.17 0.02 . 1 . . . A 283 PRO HA . 17776 1 10 . 1 1 7 7 PRO HB2 H 1 1.33 0.02 . 2 . . . A 283 PRO HB2 . 17776 1 11 . 1 1 7 7 PRO HB3 H 1 1.05 0.02 . 2 . . . A 283 PRO HB3 . 17776 1 12 . 1 1 7 7 PRO HG2 H 1 1.65 0.02 . 2 . . . A 283 PRO HG2 . 17776 1 13 . 1 1 7 7 PRO HG3 H 1 1.93 0.02 . 2 . . . A 283 PRO HG3 . 17776 1 14 . 1 1 7 7 PRO HD2 H 1 3.58 0.02 . 1 . . . A 283 PRO HD2 . 17776 1 15 . 1 1 7 7 PRO HD3 H 1 3.58 0.02 . 1 . . . A 283 PRO HD3 . 17776 1 16 . 1 1 7 7 PRO CA C 13 66.08 0.05 . 1 . . . A 283 PRO CA . 17776 1 17 . 1 1 7 7 PRO CB C 13 30.91 0.05 . 1 . . . A 283 PRO CB . 17776 1 18 . 1 1 7 7 PRO CG C 13 27.73 0.05 . 1 . . . A 283 PRO CG . 17776 1 19 . 1 1 7 7 PRO CD C 13 49.71 0.05 . 1 . . . A 283 PRO CD . 17776 1 20 . 1 1 8 8 ILE H H 1 7.60 0.02 . 1 . . . A 284 ILE H . 17776 1 21 . 1 1 8 8 ILE HA H 1 3.57 0.02 . 1 . . . A 284 ILE HA . 17776 1 22 . 1 1 8 8 ILE HB H 1 1.97 0.02 . 1 . . . A 284 ILE HB . 17776 1 23 . 1 1 8 8 ILE HG12 H 1 0.99 0.02 . 2 . . . A 284 ILE HG12 . 17776 1 24 . 1 1 8 8 ILE HG13 H 1 1.59 0.02 . 2 . . . A 284 ILE HG13 . 17776 1 25 . 1 1 8 8 ILE HG21 H 1 0.78 0.02 . 1 . . . A 284 ILE HG21 . 17776 1 26 . 1 1 8 8 ILE HG22 H 1 0.78 0.02 . 1 . . . A 284 ILE HG22 . 17776 1 27 . 1 1 8 8 ILE HG23 H 1 0.78 0.02 . 1 . . . A 284 ILE HG23 . 17776 1 28 . 1 1 8 8 ILE HD11 H 1 0.71 0.02 . 1 . . . A 284 ILE HD11 . 17776 1 29 . 1 1 8 8 ILE HD12 H 1 0.71 0.02 . 1 . . . A 284 ILE HD12 . 17776 1 30 . 1 1 8 8 ILE HD13 H 1 0.71 0.02 . 1 . . . A 284 ILE HD13 . 17776 1 31 . 1 1 8 8 ILE CA C 13 64.83 0.05 . 1 . . . A 284 ILE CA . 17776 1 32 . 1 1 8 8 ILE CB C 13 36.88 0.05 . 1 . . . A 284 ILE CB . 17776 1 33 . 1 1 8 8 ILE CG1 C 13 29.39 0.05 . 1 . . . A 284 ILE CG1 . 17776 1 34 . 1 1 8 8 ILE CG2 C 13 18.03 0.05 . 1 . . . A 284 ILE CG2 . 17776 1 35 . 1 1 8 8 ILE CD1 C 13 12.70 0.05 . 1 . . . A 284 ILE CD1 . 17776 1 36 . 1 1 8 8 ILE N N 15 115.30 0.05 . 1 . . . A 284 ILE N . 17776 1 37 . 1 1 10 10 GLU HB2 H 1 2.02 0.02 . 2 . . . A 286 GLU HB2 . 17776 1 38 . 1 1 10 10 GLU HB3 H 1 2.29 0.02 . 2 . . . A 286 GLU HB3 . 17776 1 39 . 1 1 10 10 GLU C C 13 180.81 0.05 . 1 . . . A 286 GLU C . 17776 1 40 . 1 1 10 10 GLU CA C 13 59.93 0.05 . 1 . . . A 286 GLU CA . 17776 1 41 . 1 1 10 10 GLU CB C 13 29.55 0.05 . 1 . . . A 286 GLU CB . 17776 1 42 . 1 1 10 10 GLU CG C 13 37.21 0.05 . 1 . . . A 286 GLU CG . 17776 1 43 . 1 1 11 11 LEU H H 1 8.52 0.02 . 1 . . . A 287 LEU H . 17776 1 44 . 1 1 11 11 LEU HA H 1 4.11 0.02 . 1 . . . A 287 LEU HA . 17776 1 45 . 1 1 11 11 LEU HB2 H 1 1.54 0.02 . 2 . . . A 287 LEU HB2 . 17776 1 46 . 1 1 11 11 LEU HB3 H 1 1.97 0.02 . 2 . . . A 287 LEU HB3 . 17776 1 47 . 1 1 11 11 LEU HD11 H 1 0.86 0.02 . 1 . . . A 287 LEU HD11 . 17776 1 48 . 1 1 11 11 LEU HD12 H 1 0.86 0.02 . 1 . . . A 287 LEU HD12 . 17776 1 49 . 1 1 11 11 LEU HD13 H 1 0.86 0.02 . 1 . . . A 287 LEU HD13 . 17776 1 50 . 1 1 11 11 LEU HD21 H 1 0.91 0.02 . 1 . . . A 287 LEU HD21 . 17776 1 51 . 1 1 11 11 LEU HD22 H 1 0.91 0.02 . 1 . . . A 287 LEU HD22 . 17776 1 52 . 1 1 11 11 LEU HD23 H 1 0.91 0.02 . 1 . . . A 287 LEU HD23 . 17776 1 53 . 1 1 11 11 LEU C C 13 178.41 0.05 . 1 . . . A 287 LEU C . 17776 1 54 . 1 1 11 11 LEU CA C 13 58.10 0.05 . 1 . . . A 287 LEU CA . 17776 1 55 . 1 1 11 11 LEU CB C 13 41.37 0.05 . 1 . . . A 287 LEU CB . 17776 1 56 . 1 1 11 11 LEU CG C 13 27.16 0.05 . 1 . . . A 287 LEU CG . 17776 1 57 . 1 1 11 11 LEU CD1 C 13 25.91 0.05 . 1 . . . A 287 LEU CD1 . 17776 1 58 . 1 1 11 11 LEU CD2 C 13 22.98 0.05 . 1 . . . A 287 LEU CD2 . 17776 1 59 . 1 1 11 11 LEU N N 15 120.74 0.05 . 1 . . . A 287 LEU N . 17776 1 60 . 1 1 12 12 SER H H 1 8.51 0.02 . 1 . . . A 288 SER H . 17776 1 61 . 1 1 12 12 SER HA H 1 4.10 0.02 . 1 . . . A 288 SER HA . 17776 1 62 . 1 1 12 12 SER HB2 H 1 3.68 0.02 . 2 . . . A 288 SER HB2 . 17776 1 63 . 1 1 12 12 SER HB3 H 1 4.09 0.02 . 2 . . . A 288 SER HB3 . 17776 1 64 . 1 1 12 12 SER C C 13 175.88 0.05 . 1 . . . A 288 SER C . 17776 1 65 . 1 1 12 12 SER CA C 13 62.70 0.05 . 1 . . . A 288 SER CA . 17776 1 66 . 1 1 12 12 SER CB C 13 62.86 0.05 . 1 . . . A 288 SER CB . 17776 1 67 . 1 1 12 12 SER N N 15 118.11 0.05 . 1 . . . A 288 SER N . 17776 1 68 . 1 1 13 13 ASN H H 1 8.43 0.02 . 1 . . . A 289 ASN H . 17776 1 69 . 1 1 13 13 ASN HA H 1 4.55 0.02 . 1 . . . A 289 ASN HA . 17776 1 70 . 1 1 13 13 ASN HB2 H 1 3.02 0.02 . 1 . . . A 289 ASN HB2 . 17776 1 71 . 1 1 13 13 ASN HB3 H 1 2.87 0.02 . 1 . . . A 289 ASN HB3 . 17776 1 72 . 1 1 13 13 ASN HD21 H 1 6.87 0.02 . 1 . . . A 289 ASN HD21 . 17776 1 73 . 1 1 13 13 ASN HD22 H 1 7.70 0.02 . 1 . . . A 289 ASN HD22 . 17776 1 74 . 1 1 13 13 ASN C C 13 177.97 0.05 . 1 . . . A 289 ASN C . 17776 1 75 . 1 1 13 13 ASN CA C 13 56.08 0.05 . 1 . . . A 289 ASN CA . 17776 1 76 . 1 1 13 13 ASN CB C 13 38.41 0.05 . 1 . . . A 289 ASN CB . 17776 1 77 . 1 1 13 13 ASN N N 15 119.19 0.05 . 1 . . . A 289 ASN N . 17776 1 78 . 1 1 13 13 ASN ND2 N 15 111.47 0.05 . 1 . . . A 289 ASN ND2 . 17776 1 79 . 1 1 14 14 THR H H 1 7.92 0.02 . 1 . . . A 290 THR H . 17776 1 80 . 1 1 14 14 THR HA H 1 3.89 0.02 . 1 . . . A 290 THR HA . 17776 1 81 . 1 1 14 14 THR HB H 1 4.39 0.02 . 1 . . . A 290 THR HB . 17776 1 82 . 1 1 14 14 THR HG21 H 1 1.20 0.02 . 1 . . . A 290 THR HG21 . 17776 1 83 . 1 1 14 14 THR HG22 H 1 1.20 0.02 . 1 . . . A 290 THR HG22 . 17776 1 84 . 1 1 14 14 THR HG23 H 1 1.20 0.02 . 1 . . . A 290 THR HG23 . 17776 1 85 . 1 1 14 14 THR C C 13 175.80 0.05 . 1 . . . A 290 THR C . 17776 1 86 . 1 1 14 14 THR CA C 13 67.86 0.05 . 1 . . . A 290 THR CA . 17776 1 87 . 1 1 14 14 THR CB C 13 68.14 0.05 . 1 . . . A 290 THR CB . 17776 1 88 . 1 1 14 14 THR CG2 C 13 21.94 0.05 . 1 . . . A 290 THR CG2 . 17776 1 89 . 1 1 14 14 THR N N 15 118.08 0.05 . 1 . . . A 290 THR N . 17776 1 90 . 1 1 15 15 PHE H H 1 8.66 0.02 . 1 . . . A 291 PHE H . 17776 1 91 . 1 1 15 15 PHE HA H 1 4.01 0.02 . 1 . . . A 291 PHE HA . 17776 1 92 . 1 1 15 15 PHE HB2 H 1 3.12 0.02 . 1 . . . A 291 PHE HB2 . 17776 1 93 . 1 1 15 15 PHE HB3 H 1 3.25 0.02 . 1 . . . A 291 PHE HB3 . 17776 1 94 . 1 1 15 15 PHE HD1 H 1 7.22 0.02 . 1 . . . A 291 PHE HD1 . 17776 1 95 . 1 1 15 15 PHE HD2 H 1 7.22 0.02 . 1 . . . A 291 PHE HD2 . 17776 1 96 . 1 1 15 15 PHE HE1 H 1 6.92 0.02 . 1 . . . A 291 PHE HE1 . 17776 1 97 . 1 1 15 15 PHE HE2 H 1 6.92 0.02 . 1 . . . A 291 PHE HE2 . 17776 1 98 . 1 1 15 15 PHE HZ H 1 6.65 0.02 . 1 . . . A 291 PHE HZ . 17776 1 99 . 1 1 15 15 PHE C C 13 176.82 0.05 . 1 . . . A 291 PHE C . 17776 1 100 . 1 1 15 15 PHE CA C 13 62.94 0.05 . 1 . . . A 291 PHE CA . 17776 1 101 . 1 1 15 15 PHE CB C 13 38.69 0.05 . 1 . . . A 291 PHE CB . 17776 1 102 . 1 1 15 15 PHE N N 15 122.12 0.05 . 1 . . . A 291 PHE N . 17776 1 103 . 1 1 16 16 ASP H H 1 8.24 0.02 . 1 . . . A 292 ASP H . 17776 1 104 . 1 1 16 16 ASP HA H 1 4.29 0.02 . 1 . . . A 292 ASP HA . 17776 1 105 . 1 1 16 16 ASP HB2 H 1 2.58 0.02 . 2 . . . A 292 ASP HB2 . 17776 1 106 . 1 1 16 16 ASP HB3 H 1 2.87 0.02 . 2 . . . A 292 ASP HB3 . 17776 1 107 . 1 1 16 16 ASP C C 13 178.56 0.05 . 1 . . . A 292 ASP C . 17776 1 108 . 1 1 16 16 ASP CA C 13 57.72 0.05 . 1 . . . A 292 ASP CA . 17776 1 109 . 1 1 16 16 ASP CB C 13 40.09 0.05 . 1 . . . A 292 ASP CB . 17776 1 110 . 1 1 16 16 ASP N N 15 118.92 0.05 . 1 . . . A 292 ASP N . 17776 1 111 . 1 1 17 17 LYS H H 1 7.51 0.02 . 1 . . . A 293 LYS H . 17776 1 112 . 1 1 17 17 LYS HA H 1 4.08 0.02 . 1 . . . A 293 LYS HA . 17776 1 113 . 1 1 17 17 LYS HB2 H 1 1.85 0.02 . 2 . . . A 293 LYS HB2 . 17776 1 114 . 1 1 17 17 LYS HB3 H 1 2.11 0.02 . 2 . . . A 293 LYS HB3 . 17776 1 115 . 1 1 17 17 LYS HG2 H 1 1.56 0.02 . 2 . . . A 293 LYS HG2 . 17776 1 116 . 1 1 17 17 LYS HG3 H 1 1.76 0.02 . 2 . . . A 293 LYS HG3 . 17776 1 117 . 1 1 17 17 LYS HD2 H 1 1.68 0.02 . 1 . . . A 293 LYS HD2 . 17776 1 118 . 1 1 17 17 LYS HD3 H 1 1.68 0.02 . 1 . . . A 293 LYS HD3 . 17776 1 119 . 1 1 17 17 LYS HE2 H 1 3.05 0.02 . 1 . . . A 293 LYS HE2 . 17776 1 120 . 1 1 17 17 LYS HE3 H 1 3.05 0.02 . 1 . . . A 293 LYS HE3 . 17776 1 121 . 1 1 17 17 LYS C C 13 179.61 0.05 . 1 . . . A 293 LYS C . 17776 1 122 . 1 1 17 17 LYS CA C 13 59.33 0.05 . 1 . . . A 293 LYS CA . 17776 1 123 . 1 1 17 17 LYS CB C 13 32.27 0.05 . 1 . . . A 293 LYS CB . 17776 1 124 . 1 1 17 17 LYS CG C 13 25.15 0.05 . 1 . . . A 293 LYS CG . 17776 1 125 . 1 1 17 17 LYS CD C 13 29.57 0.05 . 1 . . . A 293 LYS CD . 17776 1 126 . 1 1 17 17 LYS CE C 13 42.21 0.05 . 1 . . . A 293 LYS CE . 17776 1 127 . 1 1 17 17 LYS N N 15 118.36 0.05 . 1 . . . A 293 LYS N . 17776 1 128 . 1 1 18 18 ILE H H 1 7.83 0.02 . 1 . . . A 294 ILE H . 17776 1 129 . 1 1 18 18 ILE HA H 1 3.61 0.02 . 1 . . . A 294 ILE HA . 17776 1 130 . 1 1 18 18 ILE HB H 1 1.83 0.02 . 1 . . . A 294 ILE HB . 17776 1 131 . 1 1 18 18 ILE HG12 H 1 0.98 0.02 . 2 . . . A 294 ILE HG12 . 17776 1 132 . 1 1 18 18 ILE HG13 H 1 1.63 0.02 . 2 . . . A 294 ILE HG13 . 17776 1 133 . 1 1 18 18 ILE HG21 H 1 0.71 0.02 . 1 . . . A 294 ILE HG21 . 17776 1 134 . 1 1 18 18 ILE HG22 H 1 0.71 0.02 . 1 . . . A 294 ILE HG22 . 17776 1 135 . 1 1 18 18 ILE HG23 H 1 0.71 0.02 . 1 . . . A 294 ILE HG23 . 17776 1 136 . 1 1 18 18 ILE HD11 H 1 0.63 0.02 . 1 . . . A 294 ILE HD11 . 17776 1 137 . 1 1 18 18 ILE HD12 H 1 0.63 0.02 . 1 . . . A 294 ILE HD12 . 17776 1 138 . 1 1 18 18 ILE HD13 H 1 0.63 0.02 . 1 . . . A 294 ILE HD13 . 17776 1 139 . 1 1 18 18 ILE C C 13 179.46 0.05 . 1 . . . A 294 ILE C . 17776 1 140 . 1 1 18 18 ILE CA C 13 65.02 0.05 . 1 . . . A 294 ILE CA . 17776 1 141 . 1 1 18 18 ILE CB C 13 38.15 0.05 . 1 . . . A 294 ILE CB . 17776 1 142 . 1 1 18 18 ILE CG1 C 13 29.56 0.05 . 1 . . . A 294 ILE CG1 . 17776 1 143 . 1 1 18 18 ILE CG2 C 13 16.63 0.05 . 1 . . . A 294 ILE CG2 . 17776 1 144 . 1 1 18 18 ILE CD1 C 13 14.00 0.05 . 1 . . . A 294 ILE CD1 . 17776 1 145 . 1 1 18 18 ILE N N 15 122.11 0.05 . 1 . . . A 294 ILE N . 17776 1 146 . 1 1 19 19 ALA H H 1 8.85 0.02 . 1 . . . A 295 ALA H . 17776 1 147 . 1 1 19 19 ALA HA H 1 3.85 0.02 . 1 . . . A 295 ALA HA . 17776 1 148 . 1 1 19 19 ALA HB1 H 1 1.30 0.02 . 1 . . . A 295 ALA HB1 . 17776 1 149 . 1 1 19 19 ALA HB2 H 1 1.30 0.02 . 1 . . . A 295 ALA HB2 . 17776 1 150 . 1 1 19 19 ALA HB3 H 1 1.30 0.02 . 1 . . . A 295 ALA HB3 . 17776 1 151 . 1 1 19 19 ALA C C 13 178.98 0.05 . 1 . . . A 295 ALA C . 17776 1 152 . 1 1 19 19 ALA CA C 13 54.77 0.05 . 1 . . . A 295 ALA CA . 17776 1 153 . 1 1 19 19 ALA CB C 13 17.81 0.05 . 1 . . . A 295 ALA CB . 17776 1 154 . 1 1 19 19 ALA N N 15 123.76 0.05 . 1 . . . A 295 ALA N . 17776 1 155 . 1 1 20 20 GLU H H 1 7.48 0.02 . 1 . . . A 296 GLU H . 17776 1 156 . 1 1 20 20 GLU HA H 1 4.26 0.02 . 1 . . . A 296 GLU HA . 17776 1 157 . 1 1 20 20 GLU HB2 H 1 2.08 0.02 . 2 . . . A 296 GLU HB2 . 17776 1 158 . 1 1 20 20 GLU HB3 H 1 2.17 0.02 . 2 . . . A 296 GLU HB3 . 17776 1 159 . 1 1 20 20 GLU HG2 H 1 2.27 0.02 . 2 . . . A 296 GLU HG2 . 17776 1 160 . 1 1 20 20 GLU HG3 H 1 2.40 0.02 . 2 . . . A 296 GLU HG3 . 17776 1 161 . 1 1 20 20 GLU C C 13 176.66 0.05 . 1 . . . A 296 GLU C . 17776 1 162 . 1 1 20 20 GLU CA C 13 56.29 0.05 . 1 . . . A 296 GLU CA . 17776 1 163 . 1 1 20 20 GLU CB C 13 29.83 0.05 . 1 . . . A 296 GLU CB . 17776 1 164 . 1 1 20 20 GLU CG C 13 36.56 0.05 . 1 . . . A 296 GLU CG . 17776 1 165 . 1 1 20 20 GLU N N 15 115.64 0.05 . 1 . . . A 296 GLU N . 17776 1 166 . 1 1 21 21 GLY H H 1 7.83 0.02 . 1 . . . A 297 GLY H . 17776 1 167 . 1 1 21 21 GLY HA2 H 1 4.40 0.02 . 1 . . . A 297 GLY HA2 . 17776 1 168 . 1 1 21 21 GLY HA3 H 1 3.60 0.02 . 1 . . . A 297 GLY HA3 . 17776 1 169 . 1 1 21 21 GLY C C 13 173.99 0.05 . 1 . . . A 297 GLY C . 17776 1 170 . 1 1 21 21 GLY CA C 13 45.09 0.05 . 1 . . . A 297 GLY CA . 17776 1 171 . 1 1 21 21 GLY N N 15 106.84 0.05 . 1 . . . A 297 GLY N . 17776 1 172 . 1 1 22 22 ASN H H 1 8.19 0.02 . 1 . . . A 298 ASN H . 17776 1 173 . 1 1 22 22 ASN HA H 1 4.89 0.02 . 1 . . . A 298 ASN HA . 17776 1 174 . 1 1 22 22 ASN HB2 H 1 2.88 0.02 . 1 . . . A 298 ASN HB2 . 17776 1 175 . 1 1 22 22 ASN HB3 H 1 2.62 0.02 . 1 . . . A 298 ASN HB3 . 17776 1 176 . 1 1 22 22 ASN HD21 H 1 6.86 0.02 . 1 . . . A 298 ASN HD21 . 17776 1 177 . 1 1 22 22 ASN HD22 H 1 7.38 0.02 . 1 . . . A 298 ASN HD22 . 17776 1 178 . 1 1 22 22 ASN C C 13 174.46 0.05 . 1 . . . A 298 ASN C . 17776 1 179 . 1 1 22 22 ASN CA C 13 51.67 0.05 . 1 . . . A 298 ASN CA . 17776 1 180 . 1 1 22 22 ASN CB C 13 36.83 0.05 . 1 . . . A 298 ASN CB . 17776 1 181 . 1 1 22 22 ASN N N 15 119.86 0.05 . 1 . . . A 298 ASN N . 17776 1 182 . 1 1 22 22 ASN ND2 N 15 109.83 0.05 . 1 . . . A 298 ASN ND2 . 17776 1 183 . 1 1 23 23 LEU H H 1 7.96 0.02 . 1 . . . A 299 LEU H . 17776 1 184 . 1 1 23 23 LEU HA H 1 4.12 0.02 . 1 . . . A 299 LEU HA . 17776 1 185 . 1 1 23 23 LEU HB2 H 1 1.56 0.02 . 2 . . . A 299 LEU HB2 . 17776 1 186 . 1 1 23 23 LEU HB3 H 1 1.76 0.02 . 2 . . . A 299 LEU HB3 . 17776 1 187 . 1 1 23 23 LEU HG H 1 1.65 0.02 . 1 . . . A 299 LEU HG . 17776 1 188 . 1 1 23 23 LEU HD11 H 1 0.86 0.02 . 1 . . . A 299 LEU HD11 . 17776 1 189 . 1 1 23 23 LEU HD12 H 1 0.86 0.02 . 1 . . . A 299 LEU HD12 . 17776 1 190 . 1 1 23 23 LEU HD13 H 1 0.86 0.02 . 1 . . . A 299 LEU HD13 . 17776 1 191 . 1 1 23 23 LEU HD21 H 1 0.83 0.02 . 1 . . . A 299 LEU HD21 . 17776 1 192 . 1 1 23 23 LEU HD22 H 1 0.83 0.02 . 1 . . . A 299 LEU HD22 . 17776 1 193 . 1 1 23 23 LEU HD23 H 1 0.83 0.02 . 1 . . . A 299 LEU HD23 . 17776 1 194 . 1 1 23 23 LEU C C 13 176.11 0.05 . 1 . . . A 299 LEU C . 17776 1 195 . 1 1 23 23 LEU CA C 13 55.14 0.05 . 1 . . . A 299 LEU CA . 17776 1 196 . 1 1 23 23 LEU CB C 13 41.06 0.05 . 1 . . . A 299 LEU CB . 17776 1 197 . 1 1 23 23 LEU CG C 13 26.96 0.05 . 1 . . . A 299 LEU CG . 17776 1 198 . 1 1 23 23 LEU CD1 C 13 25.33 0.05 . 1 . . . A 299 LEU CD1 . 17776 1 199 . 1 1 23 23 LEU CD2 C 13 23.15 0.05 . 1 . . . A 299 LEU CD2 . 17776 1 200 . 1 1 23 23 LEU N N 15 120.36 0.05 . 1 . . . A 299 LEU N . 17776 1 201 . 1 1 24 24 GLU H H 1 7.82 0.02 . 1 . . . A 300 GLU H . 17776 1 202 . 1 1 24 24 GLU HA H 1 4.22 0.02 . 1 . . . A 300 GLU HA . 17776 1 203 . 1 1 24 24 GLU HB2 H 1 1.79 0.02 . 2 . . . A 300 GLU HB2 . 17776 1 204 . 1 1 24 24 GLU HB3 H 1 2.22 0.02 . 2 . . . A 300 GLU HB3 . 17776 1 205 . 1 1 24 24 GLU HG2 H 1 2.15 0.02 . 2 . . . A 300 GLU HG2 . 17776 1 206 . 1 1 24 24 GLU HG3 H 1 2.23 0.02 . 2 . . . A 300 GLU HG3 . 17776 1 207 . 1 1 24 24 GLU C C 13 176.02 0.05 . 1 . . . A 300 GLU C . 17776 1 208 . 1 1 24 24 GLU CA C 13 55.32 0.05 . 1 . . . A 300 GLU CA . 17776 1 209 . 1 1 24 24 GLU CB C 13 29.41 0.05 . 1 . . . A 300 GLU CB . 17776 1 210 . 1 1 24 24 GLU CG C 13 36.26 0.05 . 1 . . . A 300 GLU CG . 17776 1 211 . 1 1 24 24 GLU N N 15 115.54 0.05 . 1 . . . A 300 GLU N . 17776 1 212 . 1 1 25 25 ALA H H 1 6.79 0.02 . 1 . . . A 301 ALA H . 17776 1 213 . 1 1 25 25 ALA HA H 1 3.96 0.02 . 1 . . . A 301 ALA HA . 17776 1 214 . 1 1 25 25 ALA HB1 H 1 1.19 0.02 . 1 . . . A 301 ALA HB1 . 17776 1 215 . 1 1 25 25 ALA HB2 H 1 1.19 0.02 . 1 . . . A 301 ALA HB2 . 17776 1 216 . 1 1 25 25 ALA HB3 H 1 1.19 0.02 . 1 . . . A 301 ALA HB3 . 17776 1 217 . 1 1 25 25 ALA C C 13 175.35 0.05 . 1 . . . A 301 ALA C . 17776 1 218 . 1 1 25 25 ALA CA C 13 52.54 0.05 . 1 . . . A 301 ALA CA . 17776 1 219 . 1 1 25 25 ALA CB C 13 18.86 0.05 . 1 . . . A 301 ALA CB . 17776 1 220 . 1 1 25 25 ALA N N 15 123.50 0.05 . 1 . . . A 301 ALA N . 17776 1 221 . 1 1 26 26 GLU H H 1 7.93 0.02 . 1 . . . A 302 GLU H . 17776 1 222 . 1 1 26 26 GLU HA H 1 4.15 0.02 . 1 . . . A 302 GLU HA . 17776 1 223 . 1 1 26 26 GLU HB2 H 1 1.81 0.02 . 1 . . . A 302 GLU HB2 . 17776 1 224 . 1 1 26 26 GLU HB3 H 1 1.81 0.02 . 1 . . . A 302 GLU HB3 . 17776 1 225 . 1 1 26 26 GLU HG2 H 1 2.01 0.02 . 2 . . . A 302 GLU HG2 . 17776 1 226 . 1 1 26 26 GLU HG3 H 1 2.15 0.02 . 2 . . . A 302 GLU HG3 . 17776 1 227 . 1 1 26 26 GLU C C 13 176.42 0.05 . 1 . . . A 302 GLU C . 17776 1 228 . 1 1 26 26 GLU CA C 13 55.56 0.05 . 1 . . . A 302 GLU CA . 17776 1 229 . 1 1 26 26 GLU CB C 13 30.33 0.05 . 1 . . . A 302 GLU CB . 17776 1 230 . 1 1 26 26 GLU CG C 13 36.42 0.05 . 1 . . . A 302 GLU CG . 17776 1 231 . 1 1 26 26 GLU N N 15 120.33 0.05 . 1 . . . A 302 GLU N . 17776 1 232 . 1 1 27 27 VAL H H 1 8.80 0.02 . 1 . . . A 303 VAL H . 17776 1 233 . 1 1 27 27 VAL HA H 1 4.27 0.02 . 1 . . . A 303 VAL HA . 17776 1 234 . 1 1 27 27 VAL HB H 1 2.07 0.02 . 1 . . . A 303 VAL HB . 17776 1 235 . 1 1 27 27 VAL HG11 H 1 1.09 0.02 . 1 . . . A 303 VAL HG11 . 17776 1 236 . 1 1 27 27 VAL HG12 H 1 1.09 0.02 . 1 . . . A 303 VAL HG12 . 17776 1 237 . 1 1 27 27 VAL HG13 H 1 1.09 0.02 . 1 . . . A 303 VAL HG13 . 17776 1 238 . 1 1 27 27 VAL HG21 H 1 0.86 0.02 . 1 . . . A 303 VAL HG21 . 17776 1 239 . 1 1 27 27 VAL HG22 H 1 0.86 0.02 . 1 . . . A 303 VAL HG22 . 17776 1 240 . 1 1 27 27 VAL HG23 H 1 0.86 0.02 . 1 . . . A 303 VAL HG23 . 17776 1 241 . 1 1 27 27 VAL CA C 13 60.37 0.05 . 1 . . . A 303 VAL CA . 17776 1 242 . 1 1 27 27 VAL CB C 13 32.21 0.05 . 1 . . . A 303 VAL CB . 17776 1 243 . 1 1 27 27 VAL CG1 C 13 20.86 0.05 . 1 . . . A 303 VAL CG1 . 17776 1 244 . 1 1 27 27 VAL CG2 C 13 21.96 0.05 . 1 . . . A 303 VAL CG2 . 17776 1 245 . 1 1 27 27 VAL N N 15 128.34 0.05 . 1 . . . A 303 VAL N . 17776 1 246 . 1 1 28 28 PRO HA H 1 4.48 0.02 . 1 . . . A 304 PRO HA . 17776 1 247 . 1 1 28 28 PRO HB2 H 1 1.95 0.02 . 1 . . . A 304 PRO HB2 . 17776 1 248 . 1 1 28 28 PRO HB3 H 1 1.06 0.02 . 1 . . . A 304 PRO HB3 . 17776 1 249 . 1 1 28 28 PRO HG2 H 1 1.56 0.02 . 2 . . . A 304 PRO HG2 . 17776 1 250 . 1 1 28 28 PRO HG3 H 1 1.87 0.02 . 2 . . . A 304 PRO HG3 . 17776 1 251 . 1 1 28 28 PRO HD2 H 1 3.92 0.02 . 2 . . . A 304 PRO HD2 . 17776 1 252 . 1 1 28 28 PRO HD3 H 1 3.64 0.02 . 2 . . . A 304 PRO HD3 . 17776 1 253 . 1 1 28 28 PRO CA C 13 62.68 0.05 . 1 . . . A 304 PRO CA . 17776 1 254 . 1 1 28 28 PRO CB C 13 32.19 0.05 . 1 . . . A 304 PRO CB . 17776 1 255 . 1 1 28 28 PRO CG C 13 25.70 0.05 . 1 . . . A 304 PRO CG . 17776 1 256 . 1 1 28 28 PRO CD C 13 51.23 0.05 . 1 . . . A 304 PRO CD . 17776 1 257 . 1 1 29 29 HIS H H 1 7.74 0.02 . 1 . . . A 305 HIS H . 17776 1 258 . 1 1 29 29 HIS HA H 1 4.24 0.02 . 1 . . . A 305 HIS HA . 17776 1 259 . 1 1 29 29 HIS HB2 H 1 3.02 0.02 . 1 . . . A 305 HIS HB2 . 17776 1 260 . 1 1 29 29 HIS HB3 H 1 3.25 0.02 . 1 . . . A 305 HIS HB3 . 17776 1 261 . 1 1 29 29 HIS HD1 H 1 10.05 0.02 . 1 . . . A 305 HIS HD1 . 17776 1 262 . 1 1 29 29 HIS HD2 H 1 6.49 0.02 . 1 . . . A 305 HIS HD2 . 17776 1 263 . 1 1 29 29 HIS HE1 H 1 7.84 0.02 . 1 . . . A 305 HIS HE1 . 17776 1 264 . 1 1 29 29 HIS C C 13 174.43 0.05 . 1 . . . A 305 HIS C . 17776 1 265 . 1 1 29 29 HIS CA C 13 58.23 0.05 . 1 . . . A 305 HIS CA . 17776 1 266 . 1 1 29 29 HIS CB C 13 27.64 0.05 . 1 . . . A 305 HIS CB . 17776 1 267 . 1 1 29 29 HIS N N 15 103.70 0.05 . 1 . . . A 305 HIS N . 17776 1 268 . 1 1 30 30 GLN H H 1 8.00 0.02 . 1 . . . A 306 GLN H . 17776 1 269 . 1 1 30 30 GLN HA H 1 4.07 0.02 . 1 . . . A 306 GLN HA . 17776 1 270 . 1 1 30 30 GLN HB2 H 1 1.79 0.02 . 2 . . . A 306 GLN HB2 . 17776 1 271 . 1 1 30 30 GLN HB3 H 1 2.19 0.02 . 2 . . . A 306 GLN HB3 . 17776 1 272 . 1 1 30 30 GLN HG2 H 1 1.61 0.02 . 2 . . . A 306 GLN HG2 . 17776 1 273 . 1 1 30 30 GLN HG3 H 1 2.19 0.02 . 2 . . . A 306 GLN HG3 . 17776 1 274 . 1 1 30 30 GLN HE21 H 1 6.39 0.02 . 1 . . . A 306 GLN HE21 . 17776 1 275 . 1 1 30 30 GLN HE22 H 1 8.02 0.02 . 1 . . . A 306 GLN HE22 . 17776 1 276 . 1 1 30 30 GLN CA C 13 58.46 0.05 . 1 . . . A 306 GLN CA . 17776 1 277 . 1 1 30 30 GLN CB C 13 30.59 0.05 . 1 . . . A 306 GLN CB . 17776 1 278 . 1 1 30 30 GLN CG C 13 35.36 0.05 . 1 . . . A 306 GLN CG . 17776 1 279 . 1 1 30 30 GLN N N 15 114.53 0.05 . 1 . . . A 306 GLN N . 17776 1 280 . 1 1 30 30 GLN NE2 N 15 113.32 0.05 . 1 . . . A 306 GLN NE2 . 17776 1 281 . 1 1 31 31 ASN H H 1 8.33 0.02 . 1 . . . A 307 ASN H . 17776 1 282 . 1 1 31 31 ASN HA H 1 4.69 0.02 . 1 . . . A 307 ASN HA . 17776 1 283 . 1 1 31 31 ASN HB2 H 1 2.79 0.02 . 1 . . . A 307 ASN HB2 . 17776 1 284 . 1 1 31 31 ASN HB3 H 1 2.79 0.02 . 1 . . . A 307 ASN HB3 . 17776 1 285 . 1 1 31 31 ASN HD21 H 1 7.50 0.02 . 2 . . . A 307 ASN HD21 . 17776 1 286 . 1 1 31 31 ASN HD22 H 1 6.83 0.02 . 2 . . . A 307 ASN HD22 . 17776 1 287 . 1 1 31 31 ASN C C 13 175.53 0.05 . 1 . . . A 307 ASN C . 17776 1 288 . 1 1 31 31 ASN CA C 13 52.73 0.05 . 1 . . . A 307 ASN CA . 17776 1 289 . 1 1 31 31 ASN CB C 13 37.63 0.05 . 1 . . . A 307 ASN CB . 17776 1 290 . 1 1 31 31 ASN N N 15 113.09 0.05 . 1 . . . A 307 ASN N . 17776 1 291 . 1 1 31 31 ASN ND2 N 15 112.90 0.05 . 1 . . . A 307 ASN ND2 . 17776 1 292 . 1 1 32 32 ARG H H 1 7.14 0.02 . 1 . . . A 308 ARG H . 17776 1 293 . 1 1 32 32 ARG HA H 1 4.54 0.02 . 1 . . . A 308 ARG HA . 17776 1 294 . 1 1 32 32 ARG HB2 H 1 1.56 0.02 . 2 . . . A 308 ARG HB2 . 17776 1 295 . 1 1 32 32 ARG HB3 H 1 2.04 0.02 . 2 . . . A 308 ARG HB3 . 17776 1 296 . 1 1 32 32 ARG HG2 H 1 1.64 0.02 . 1 . . . A 308 ARG HG2 . 17776 1 297 . 1 1 32 32 ARG HG3 H 1 1.64 0.02 . 1 . . . A 308 ARG HG3 . 17776 1 298 . 1 1 32 32 ARG HD2 H 1 2.85 0.02 . 2 . . . A 308 ARG HD2 . 17776 1 299 . 1 1 32 32 ARG HD3 H 1 3.47 0.02 . 2 . . . A 308 ARG HD3 . 17776 1 300 . 1 1 32 32 ARG HE H 1 8.40 0.02 . 1 . . . A 308 ARG HE . 17776 1 301 . 1 1 32 32 ARG CA C 13 56.81 0.05 . 1 . . . A 308 ARG CA . 17776 1 302 . 1 1 32 32 ARG CB C 13 33.16 0.05 . 1 . . . A 308 ARG CB . 17776 1 303 . 1 1 32 32 ARG CG C 13 28.53 0.05 . 1 . . . A 308 ARG CG . 17776 1 304 . 1 1 32 32 ARG CD C 13 44.19 0.05 . 1 . . . A 308 ARG CD . 17776 1 305 . 1 1 32 32 ARG N N 15 119.53 0.05 . 1 . . . A 308 ARG N . 17776 1 306 . 1 1 32 32 ARG NE N 15 113.74 0.05 . 1 . . . A 308 ARG NE . 17776 1 307 . 1 1 33 33 ALA HA H 1 4.56 0.02 . 1 . . . A 309 ALA HA . 17776 1 308 . 1 1 33 33 ALA HB1 H 1 1.39 0.02 . 1 . . . A 309 ALA HB1 . 17776 1 309 . 1 1 33 33 ALA HB2 H 1 1.39 0.02 . 1 . . . A 309 ALA HB2 . 17776 1 310 . 1 1 33 33 ALA HB3 H 1 1.39 0.02 . 1 . . . A 309 ALA HB3 . 17776 1 311 . 1 1 33 33 ALA C C 13 176.61 0.05 . 1 . . . A 309 ALA C . 17776 1 312 . 1 1 33 33 ALA CA C 13 51.27 0.05 . 1 . . . A 309 ALA CA . 17776 1 313 . 1 1 33 33 ALA CB C 13 18.86 0.05 . 1 . . . A 309 ALA CB . 17776 1 314 . 1 1 34 34 ASP H H 1 7.42 0.02 . 1 . . . A 310 ASP H . 17776 1 315 . 1 1 34 34 ASP HA H 1 4.70 0.02 . 1 . . . A 310 ASP HA . 17776 1 316 . 1 1 34 34 ASP HB2 H 1 2.82 0.02 . 1 . . . A 310 ASP HB2 . 17776 1 317 . 1 1 34 34 ASP HB3 H 1 3.13 0.02 . 1 . . . A 310 ASP HB3 . 17776 1 318 . 1 1 34 34 ASP C C 13 176.68 0.05 . 1 . . . A 310 ASP C . 17776 1 319 . 1 1 34 34 ASP CA C 13 52.19 0.05 . 1 . . . A 310 ASP CA . 17776 1 320 . 1 1 34 34 ASP CB C 13 41.62 0.05 . 1 . . . A 310 ASP CB . 17776 1 321 . 1 1 34 34 ASP N N 15 117.61 0.05 . 1 . . . A 310 ASP N . 17776 1 322 . 1 1 35 35 GLU H H 1 9.64 0.02 . 1 . . . A 311 GLU H . 17776 1 323 . 1 1 35 35 GLU HA H 1 4.12 0.02 . 1 . . . A 311 GLU HA . 17776 1 324 . 1 1 35 35 GLU HB2 H 1 2.05 0.02 . 1 . . . A 311 GLU HB2 . 17776 1 325 . 1 1 35 35 GLU HB3 H 1 2.05 0.02 . 1 . . . A 311 GLU HB3 . 17776 1 326 . 1 1 35 35 GLU HG2 H 1 2.36 0.02 . 1 . . . A 311 GLU HG2 . 17776 1 327 . 1 1 35 35 GLU HG3 H 1 2.36 0.02 . 1 . . . A 311 GLU HG3 . 17776 1 328 . 1 1 35 35 GLU C C 13 177.84 0.05 . 1 . . . A 311 GLU C . 17776 1 329 . 1 1 35 35 GLU CG C 13 36.77 0.05 . 1 . . . A 311 GLU CG . 17776 1 330 . 1 1 35 35 GLU N N 15 119.00 0.05 . 1 . . . A 311 GLU N . 17776 1 331 . 1 1 36 36 ILE H H 1 7.40 0.02 . 1 . . . A 312 ILE H . 17776 1 332 . 1 1 36 36 ILE HA H 1 3.57 0.02 . 1 . . . A 312 ILE HA . 17776 1 333 . 1 1 36 36 ILE HB H 1 2.02 0.02 . 1 . . . A 312 ILE HB . 17776 1 334 . 1 1 36 36 ILE HG12 H 1 1.18 0.02 . 2 . . . A 312 ILE HG12 . 17776 1 335 . 1 1 36 36 ILE HG13 H 1 1.48 0.02 . 2 . . . A 312 ILE HG13 . 17776 1 336 . 1 1 36 36 ILE HG21 H 1 0.66 0.02 . 1 . . . A 312 ILE HG21 . 17776 1 337 . 1 1 36 36 ILE HG22 H 1 0.66 0.02 . 1 . . . A 312 ILE HG22 . 17776 1 338 . 1 1 36 36 ILE HG23 H 1 0.66 0.02 . 1 . . . A 312 ILE HG23 . 17776 1 339 . 1 1 36 36 ILE HD11 H 1 0.71 0.02 . 1 . . . A 312 ILE HD11 . 17776 1 340 . 1 1 36 36 ILE HD12 H 1 0.71 0.02 . 1 . . . A 312 ILE HD12 . 17776 1 341 . 1 1 36 36 ILE HD13 H 1 0.71 0.02 . 1 . . . A 312 ILE HD13 . 17776 1 342 . 1 1 36 36 ILE C C 13 177.33 0.05 . 1 . . . A 312 ILE C . 17776 1 343 . 1 1 36 36 ILE CA C 13 63.63 0.05 . 1 . . . A 312 ILE CA . 17776 1 344 . 1 1 36 36 ILE CB C 13 35.89 0.05 . 1 . . . A 312 ILE CB . 17776 1 345 . 1 1 36 36 ILE CG1 C 13 28.54 0.05 . 1 . . . A 312 ILE CG1 . 17776 1 346 . 1 1 36 36 ILE CG2 C 13 17.91 0.05 . 1 . . . A 312 ILE CG2 . 17776 1 347 . 1 1 36 36 ILE CD1 C 13 11.26 0.05 . 1 . . . A 312 ILE CD1 . 17776 1 348 . 1 1 36 36 ILE N N 15 119.39 0.05 . 1 . . . A 312 ILE N . 17776 1 349 . 1 1 37 37 GLY H H 1 7.48 0.02 . 1 . . . A 313 GLY H . 17776 1 350 . 1 1 37 37 GLY HA2 H 1 4.02 0.02 . 2 . . . A 313 GLY HA2 . 17776 1 351 . 1 1 37 37 GLY HA3 H 1 4.37 0.02 . 2 . . . A 313 GLY HA3 . 17776 1 352 . 1 1 37 37 GLY C C 13 176.10 0.05 . 1 . . . A 313 GLY C . 17776 1 353 . 1 1 37 37 GLY CA C 13 47.02 0.05 . 1 . . . A 313 GLY CA . 17776 1 354 . 1 1 37 37 GLY N N 15 107.93 0.05 . 1 . . . A 313 GLY N . 17776 1 355 . 1 1 38 38 ILE H H 1 7.57 0.02 . 1 . . . A 314 ILE H . 17776 1 356 . 1 1 38 38 ILE HA H 1 3.63 0.02 . 1 . . . A 314 ILE HA . 17776 1 357 . 1 1 38 38 ILE HB H 1 1.95 0.02 . 1 . . . A 314 ILE HB . 17776 1 358 . 1 1 38 38 ILE HG12 H 1 1.16 0.02 . 2 . . . A 314 ILE HG12 . 17776 1 359 . 1 1 38 38 ILE HG13 H 1 1.62 0.02 . 2 . . . A 314 ILE HG13 . 17776 1 360 . 1 1 38 38 ILE HG21 H 1 0.95 0.02 . 1 . . . A 314 ILE HG21 . 17776 1 361 . 1 1 38 38 ILE HG22 H 1 0.95 0.02 . 1 . . . A 314 ILE HG22 . 17776 1 362 . 1 1 38 38 ILE HG23 H 1 0.95 0.02 . 1 . . . A 314 ILE HG23 . 17776 1 363 . 1 1 38 38 ILE HD11 H 1 0.82 0.02 . 1 . . . A 314 ILE HD11 . 17776 1 364 . 1 1 38 38 ILE HD12 H 1 0.82 0.02 . 1 . . . A 314 ILE HD12 . 17776 1 365 . 1 1 38 38 ILE HD13 H 1 0.82 0.02 . 1 . . . A 314 ILE HD13 . 17776 1 366 . 1 1 38 38 ILE C C 13 178.93 0.05 . 1 . . . A 314 ILE C . 17776 1 367 . 1 1 38 38 ILE CA C 13 65.02 0.05 . 1 . . . A 314 ILE CA . 17776 1 368 . 1 1 38 38 ILE CB C 13 37.57 0.05 . 1 . . . A 314 ILE CB . 17776 1 369 . 1 1 38 38 ILE CG1 C 13 28.56 0.05 . 1 . . . A 314 ILE CG1 . 17776 1 370 . 1 1 38 38 ILE CG2 C 13 16.97 0.05 . 1 . . . A 314 ILE CG2 . 17776 1 371 . 1 1 38 38 ILE CD1 C 13 12.62 0.05 . 1 . . . A 314 ILE CD1 . 17776 1 372 . 1 1 38 38 ILE N N 15 121.61 0.05 . 1 . . . A 314 ILE N . 17776 1 373 . 1 1 39 39 LEU H H 1 7.58 0.02 . 1 . . . A 315 LEU H . 17776 1 374 . 1 1 39 39 LEU HA H 1 4.17 0.02 . 1 . . . A 315 LEU HA . 17776 1 375 . 1 1 39 39 LEU HB2 H 1 1.52 0.02 . 2 . . . A 315 LEU HB2 . 17776 1 376 . 1 1 39 39 LEU HB3 H 1 1.96 0.02 . 2 . . . A 315 LEU HB3 . 17776 1 377 . 1 1 39 39 LEU HG H 1 1.51 0.02 . 1 . . . A 315 LEU HG . 17776 1 378 . 1 1 39 39 LEU HD11 H 1 0.83 0.02 . 1 . . . A 315 LEU HD11 . 17776 1 379 . 1 1 39 39 LEU HD12 H 1 0.83 0.02 . 1 . . . A 315 LEU HD12 . 17776 1 380 . 1 1 39 39 LEU HD13 H 1 0.83 0.02 . 1 . . . A 315 LEU HD13 . 17776 1 381 . 1 1 39 39 LEU HD21 H 1 0.84 0.02 . 1 . . . A 315 LEU HD21 . 17776 1 382 . 1 1 39 39 LEU HD22 H 1 0.84 0.02 . 1 . . . A 315 LEU HD22 . 17776 1 383 . 1 1 39 39 LEU HD23 H 1 0.84 0.02 . 1 . . . A 315 LEU HD23 . 17776 1 384 . 1 1 39 39 LEU C C 13 178.46 0.05 . 1 . . . A 315 LEU C . 17776 1 385 . 1 1 39 39 LEU CA C 13 57.79 0.05 . 1 . . . A 315 LEU CA . 17776 1 386 . 1 1 39 39 LEU CB C 13 41.54 0.05 . 1 . . . A 315 LEU CB . 17776 1 387 . 1 1 39 39 LEU CG C 13 26.89 0.05 . 1 . . . A 315 LEU CG . 17776 1 388 . 1 1 39 39 LEU CD1 C 13 23.10 0.05 . 1 . . . A 315 LEU CD1 . 17776 1 389 . 1 1 39 39 LEU CD2 C 13 26.18 0.05 . 1 . . . A 315 LEU CD2 . 17776 1 390 . 1 1 39 39 LEU N N 15 121.65 0.05 . 1 . . . A 315 LEU N . 17776 1 391 . 1 1 40 40 ALA H H 1 8.79 0.02 . 1 . . . A 316 ALA H . 17776 1 392 . 1 1 40 40 ALA HA H 1 3.81 0.02 . 1 . . . A 316 ALA HA . 17776 1 393 . 1 1 40 40 ALA HB1 H 1 1.54 0.02 . 1 . . . A 316 ALA HB1 . 17776 1 394 . 1 1 40 40 ALA HB2 H 1 1.54 0.02 . 1 . . . A 316 ALA HB2 . 17776 1 395 . 1 1 40 40 ALA HB3 H 1 1.54 0.02 . 1 . . . A 316 ALA HB3 . 17776 1 396 . 1 1 40 40 ALA C C 13 179.60 0.05 . 1 . . . A 316 ALA C . 17776 1 397 . 1 1 40 40 ALA CA C 13 55.88 0.05 . 1 . . . A 316 ALA CA . 17776 1 398 . 1 1 40 40 ALA CB C 13 19.65 0.05 . 1 . . . A 316 ALA CB . 17776 1 399 . 1 1 40 40 ALA N N 15 122.59 0.05 . 1 . . . A 316 ALA N . 17776 1 400 . 1 1 41 41 LYS H H 1 8.50 0.02 . 1 . . . A 317 LYS H . 17776 1 401 . 1 1 41 41 LYS HA H 1 3.93 0.02 . 1 . . . A 317 LYS HA . 17776 1 402 . 1 1 41 41 LYS HB2 H 1 1.85 0.02 . 1 . . . A 317 LYS HB2 . 17776 1 403 . 1 1 41 41 LYS HB3 H 1 2.02 0.02 . 1 . . . A 317 LYS HB3 . 17776 1 404 . 1 1 41 41 LYS HG2 H 1 1.56 0.02 . 2 . . . A 317 LYS HG2 . 17776 1 405 . 1 1 41 41 LYS HG3 H 1 1.97 0.02 . 2 . . . A 317 LYS HG3 . 17776 1 406 . 1 1 41 41 LYS HD2 H 1 1.82 0.02 . 1 . . . A 317 LYS HD2 . 17776 1 407 . 1 1 41 41 LYS HD3 H 1 1.82 0.02 . 1 . . . A 317 LYS HD3 . 17776 1 408 . 1 1 41 41 LYS HE2 H 1 3.06 0.02 . 1 . . . A 317 LYS HE2 . 17776 1 409 . 1 1 41 41 LYS HE3 H 1 3.06 0.02 . 1 . . . A 317 LYS HE3 . 17776 1 410 . 1 1 41 41 LYS C C 13 179.78 0.05 . 1 . . . A 317 LYS C . 17776 1 411 . 1 1 41 41 LYS CA C 13 60.54 0.05 . 1 . . . A 317 LYS CA . 17776 1 412 . 1 1 41 41 LYS CB C 13 32.67 0.05 . 1 . . . A 317 LYS CB . 17776 1 413 . 1 1 41 41 LYS CG C 13 26.60 0.05 . 1 . . . A 317 LYS CG . 17776 1 414 . 1 1 41 41 LYS CD C 13 29.77 0.05 . 1 . . . A 317 LYS CD . 17776 1 415 . 1 1 41 41 LYS CE C 13 42.49 0.05 . 1 . . . A 317 LYS CE . 17776 1 416 . 1 1 41 41 LYS N N 15 116.63 0.05 . 1 . . . A 317 LYS N . 17776 1 417 . 1 1 42 42 SER H H 1 8.07 0.02 . 1 . . . A 318 SER H . 17776 1 418 . 1 1 42 42 SER HA H 1 4.40 0.02 . 1 . . . A 318 SER HA . 17776 1 419 . 1 1 42 42 SER HB2 H 1 4.13 0.02 . 2 . . . A 318 SER HB2 . 17776 1 420 . 1 1 42 42 SER HB3 H 1 4.27 0.02 . 2 . . . A 318 SER HB3 . 17776 1 421 . 1 1 42 42 SER C C 13 176.73 0.05 . 1 . . . A 318 SER C . 17776 1 422 . 1 1 42 42 SER CA C 13 62.45 0.05 . 1 . . . A 318 SER CA . 17776 1 423 . 1 1 42 42 SER CB C 13 62.98 0.05 . 1 . . . A 318 SER CB . 17776 1 424 . 1 1 42 42 SER N N 15 118.44 0.05 . 1 . . . A 318 SER N . 17776 1 425 . 1 1 43 43 ILE H H 1 8.25 0.02 . 1 . . . A 319 ILE H . 17776 1 426 . 1 1 43 43 ILE HA H 1 3.57 0.02 . 1 . . . A 319 ILE HA . 17776 1 427 . 1 1 43 43 ILE HB H 1 1.67 0.02 . 1 . . . A 319 ILE HB . 17776 1 428 . 1 1 43 43 ILE HG12 H 1 1.23 0.02 . 1 . . . A 319 ILE HG12 . 17776 1 429 . 1 1 43 43 ILE HG13 H 1 -0.18 0.02 . 1 . . . A 319 ILE HG13 . 17776 1 430 . 1 1 43 43 ILE HG21 H 1 0.68 0.02 . 1 . . . A 319 ILE HG21 . 17776 1 431 . 1 1 43 43 ILE HG22 H 1 0.68 0.02 . 1 . . . A 319 ILE HG22 . 17776 1 432 . 1 1 43 43 ILE HG23 H 1 0.68 0.02 . 1 . . . A 319 ILE HG23 . 17776 1 433 . 1 1 43 43 ILE HD11 H 1 0.39 0.02 . 1 . . . A 319 ILE HD11 . 17776 1 434 . 1 1 43 43 ILE HD12 H 1 0.39 0.02 . 1 . . . A 319 ILE HD12 . 17776 1 435 . 1 1 43 43 ILE HD13 H 1 0.39 0.02 . 1 . . . A 319 ILE HD13 . 17776 1 436 . 1 1 43 43 ILE C C 13 177.19 0.05 . 1 . . . A 319 ILE C . 17776 1 437 . 1 1 43 43 ILE CA C 13 65.22 0.05 . 1 . . . A 319 ILE CA . 17776 1 438 . 1 1 43 43 ILE CB C 13 37.12 0.05 . 1 . . . A 319 ILE CB . 17776 1 439 . 1 1 43 43 ILE CG1 C 13 28.64 0.05 . 1 . . . A 319 ILE CG1 . 17776 1 440 . 1 1 43 43 ILE CG2 C 13 18.07 0.05 . 1 . . . A 319 ILE CG2 . 17776 1 441 . 1 1 43 43 ILE CD1 C 13 14.96 0.05 . 1 . . . A 319 ILE CD1 . 17776 1 442 . 1 1 43 43 ILE N N 15 125.30 0.05 . 1 . . . A 319 ILE N . 17776 1 443 . 1 1 44 44 GLU H H 1 8.09 0.02 . 1 . . . A 320 GLU H . 17776 1 444 . 1 1 44 44 GLU HA H 1 4.57 0.02 . 1 . . . A 320 GLU HA . 17776 1 445 . 1 1 44 44 GLU HB2 H 1 1.85 0.02 . 2 . . . A 320 GLU HB2 . 17776 1 446 . 1 1 44 44 GLU HB3 H 1 1.88 0.02 . 2 . . . A 320 GLU HB3 . 17776 1 447 . 1 1 44 44 GLU HG2 H 1 2.04 0.02 . 2 . . . A 320 GLU HG2 . 17776 1 448 . 1 1 44 44 GLU HG3 H 1 2.60 0.02 . 2 . . . A 320 GLU HG3 . 17776 1 449 . 1 1 44 44 GLU C C 13 177.88 0.05 . 1 . . . A 320 GLU C . 17776 1 450 . 1 1 44 44 GLU CA C 13 58.27 0.05 . 1 . . . A 320 GLU CA . 17776 1 451 . 1 1 44 44 GLU CB C 13 27.94 0.05 . 1 . . . A 320 GLU CB . 17776 1 452 . 1 1 44 44 GLU CG C 13 33.71 0.05 . 1 . . . A 320 GLU CG . 17776 1 453 . 1 1 44 44 GLU N N 15 122.80 0.05 . 1 . . . A 320 GLU N . 17776 1 454 . 1 1 45 45 ARG H H 1 7.98 0.02 . 1 . . . A 321 ARG H . 17776 1 455 . 1 1 45 45 ARG HA H 1 3.96 0.02 . 1 . . . A 321 ARG HA . 17776 1 456 . 1 1 45 45 ARG HB2 H 1 1.97 0.02 . 1 . . . A 321 ARG HB2 . 17776 1 457 . 1 1 45 45 ARG HB3 H 1 1.97 0.02 . 1 . . . A 321 ARG HB3 . 17776 1 458 . 1 1 45 45 ARG HG2 H 1 1.55 0.02 . 2 . . . A 321 ARG HG2 . 17776 1 459 . 1 1 45 45 ARG HG3 H 1 1.91 0.02 . 2 . . . A 321 ARG HG3 . 17776 1 460 . 1 1 45 45 ARG HD2 H 1 3.31 0.02 . 1 . . . A 321 ARG HD2 . 17776 1 461 . 1 1 45 45 ARG HD3 H 1 3.31 0.02 . 1 . . . A 321 ARG HD3 . 17776 1 462 . 1 1 45 45 ARG C C 13 178.09 0.05 . 1 . . . A 321 ARG C . 17776 1 463 . 1 1 45 45 ARG CA C 13 60.23 0.05 . 1 . . . A 321 ARG CA . 17776 1 464 . 1 1 45 45 ARG CB C 13 30.06 0.05 . 1 . . . A 321 ARG CB . 17776 1 465 . 1 1 45 45 ARG CG C 13 28.25 0.05 . 1 . . . A 321 ARG CG . 17776 1 466 . 1 1 45 45 ARG CD C 13 43.65 0.05 . 1 . . . A 321 ARG CD . 17776 1 467 . 1 1 45 45 ARG N N 15 119.53 0.05 . 1 . . . A 321 ARG N . 17776 1 468 . 1 1 46 46 LEU H H 1 7.91 0.02 . 1 . . . A 322 LEU H . 17776 1 469 . 1 1 46 46 LEU HA H 1 4.22 0.02 . 1 . . . A 322 LEU HA . 17776 1 470 . 1 1 46 46 LEU HB2 H 1 1.77 0.02 . 2 . . . A 322 LEU HB2 . 17776 1 471 . 1 1 46 46 LEU HB3 H 1 2.30 0.02 . 2 . . . A 322 LEU HB3 . 17776 1 472 . 1 1 46 46 LEU HG H 1 1.77 0.02 . 1 . . . A 322 LEU HG . 17776 1 473 . 1 1 46 46 LEU HD11 H 1 0.94 0.02 . 2 . . . A 322 LEU HD11 . 17776 1 474 . 1 1 46 46 LEU HD12 H 1 0.94 0.02 . 2 . . . A 322 LEU HD12 . 17776 1 475 . 1 1 46 46 LEU HD13 H 1 0.94 0.02 . 2 . . . A 322 LEU HD13 . 17776 1 476 . 1 1 46 46 LEU HD21 H 1 1.16 0.02 . 2 . . . A 322 LEU HD21 . 17776 1 477 . 1 1 46 46 LEU HD22 H 1 1.16 0.02 . 2 . . . A 322 LEU HD22 . 17776 1 478 . 1 1 46 46 LEU HD23 H 1 1.16 0.02 . 2 . . . A 322 LEU HD23 . 17776 1 479 . 1 1 46 46 LEU C C 13 177.87 0.05 . 1 . . . A 322 LEU C . 17776 1 480 . 1 1 46 46 LEU CA C 13 58.13 0.05 . 1 . . . A 322 LEU CA . 17776 1 481 . 1 1 46 46 LEU CB C 13 40.97 0.05 . 1 . . . A 322 LEU CB . 17776 1 482 . 1 1 46 46 LEU CG C 13 27.20 0.05 . 1 . . . A 322 LEU CG . 17776 1 483 . 1 1 46 46 LEU CD1 C 13 23.49 0.05 . 2 . . . A 322 LEU CD1 . 17776 1 484 . 1 1 46 46 LEU CD2 C 13 27.07 0.05 . 2 . . . A 322 LEU CD2 . 17776 1 485 . 1 1 46 46 LEU N N 15 121.22 0.05 . 1 . . . A 322 LEU N . 17776 1 486 . 1 1 47 47 ARG H H 1 9.06 0.02 . 1 . . . A 323 ARG H . 17776 1 487 . 1 1 47 47 ARG HA H 1 3.65 0.02 . 1 . . . A 323 ARG HA . 17776 1 488 . 1 1 47 47 ARG HB2 H 1 1.78 0.02 . 2 . . . A 323 ARG HB2 . 17776 1 489 . 1 1 47 47 ARG HB3 H 1 2.28 0.02 . 2 . . . A 323 ARG HB3 . 17776 1 490 . 1 1 47 47 ARG HG2 H 1 1.42 0.02 . 1 . . . A 323 ARG HG2 . 17776 1 491 . 1 1 47 47 ARG HG3 H 1 1.42 0.02 . 1 . . . A 323 ARG HG3 . 17776 1 492 . 1 1 47 47 ARG HD2 H 1 2.70 0.02 . 2 . . . A 323 ARG HD2 . 17776 1 493 . 1 1 47 47 ARG HD3 H 1 3.44 0.02 . 2 . . . A 323 ARG HD3 . 17776 1 494 . 1 1 47 47 ARG C C 13 177.91 0.05 . 1 . . . A 323 ARG C . 17776 1 495 . 1 1 47 47 ARG CA C 13 60.83 0.05 . 1 . . . A 323 ARG CA . 17776 1 496 . 1 1 47 47 ARG CB C 13 30.53 0.05 . 1 . . . A 323 ARG CB . 17776 1 497 . 1 1 47 47 ARG CG C 13 27.13 0.05 . 1 . . . A 323 ARG CG . 17776 1 498 . 1 1 47 47 ARG CD C 13 43.38 0.05 . 1 . . . A 323 ARG CD . 17776 1 499 . 1 1 47 47 ARG N N 15 122.15 0.05 . 1 . . . A 323 ARG N . 17776 1 500 . 1 1 48 48 ARG H H 1 8.42 0.02 . 1 . . . A 324 ARG H . 17776 1 501 . 1 1 48 48 ARG HA H 1 3.89 0.02 . 1 . . . A 324 ARG HA . 17776 1 502 . 1 1 48 48 ARG HB2 H 1 1.89 0.02 . 1 . . . A 324 ARG HB2 . 17776 1 503 . 1 1 48 48 ARG HB3 H 1 1.89 0.02 . 1 . . . A 324 ARG HB3 . 17776 1 504 . 1 1 48 48 ARG HG2 H 1 1.54 0.02 . 2 . . . A 324 ARG HG2 . 17776 1 505 . 1 1 48 48 ARG HG3 H 1 1.87 0.02 . 2 . . . A 324 ARG HG3 . 17776 1 506 . 1 1 48 48 ARG HD2 H 1 3.16 0.02 . 1 . . . A 324 ARG HD2 . 17776 1 507 . 1 1 48 48 ARG HD3 H 1 3.16 0.02 . 1 . . . A 324 ARG HD3 . 17776 1 508 . 1 1 48 48 ARG C C 13 179.52 0.05 . 1 . . . A 324 ARG C . 17776 1 509 . 1 1 48 48 ARG CA C 13 60.07 0.05 . 1 . . . A 324 ARG CA . 17776 1 510 . 1 1 48 48 ARG CB C 13 30.24 0.05 . 1 . . . A 324 ARG CB . 17776 1 511 . 1 1 48 48 ARG CG C 13 28.15 0.05 . 1 . . . A 324 ARG CG . 17776 1 512 . 1 1 48 48 ARG CD C 13 43.61 0.05 . 1 . . . A 324 ARG CD . 17776 1 513 . 1 1 48 48 ARG N N 15 115.77 0.05 . 1 . . . A 324 ARG N . 17776 1 514 . 1 1 49 49 SER H H 1 8.07 0.02 . 1 . . . A 325 SER H . 17776 1 515 . 1 1 49 49 SER HA H 1 4.37 0.02 . 1 . . . A 325 SER HA . 17776 1 516 . 1 1 49 49 SER HB2 H 1 4.15 0.02 . 1 . . . A 325 SER HB2 . 17776 1 517 . 1 1 49 49 SER HB3 H 1 4.15 0.02 . 1 . . . A 325 SER HB3 . 17776 1 518 . 1 1 49 49 SER C C 13 176.90 0.05 . 1 . . . A 325 SER C . 17776 1 519 . 1 1 49 49 SER CA C 13 61.77 0.05 . 1 . . . A 325 SER CA . 17776 1 520 . 1 1 49 49 SER CB C 13 63.05 0.05 . 1 . . . A 325 SER CB . 17776 1 521 . 1 1 49 49 SER N N 15 117.17 0.05 . 1 . . . A 325 SER N . 17776 1 522 . 1 1 50 50 LEU H H 1 8.83 0.02 . 1 . . . A 326 LEU H . 17776 1 523 . 1 1 50 50 LEU HA H 1 4.17 0.02 . 1 . . . A 326 LEU HA . 17776 1 524 . 1 1 50 50 LEU HB2 H 1 1.46 0.02 . 2 . . . A 326 LEU HB2 . 17776 1 525 . 1 1 50 50 LEU HB3 H 1 2.02 0.02 . 2 . . . A 326 LEU HB3 . 17776 1 526 . 1 1 50 50 LEU HG H 1 1.96 0.02 . 1 . . . A 326 LEU HG . 17776 1 527 . 1 1 50 50 LEU HD11 H 1 0.77 0.02 . 1 . . . A 326 LEU HD11 . 17776 1 528 . 1 1 50 50 LEU HD12 H 1 0.77 0.02 . 1 . . . A 326 LEU HD12 . 17776 1 529 . 1 1 50 50 LEU HD13 H 1 0.77 0.02 . 1 . . . A 326 LEU HD13 . 17776 1 530 . 1 1 50 50 LEU HD21 H 1 0.87 0.02 . 1 . . . A 326 LEU HD21 . 17776 1 531 . 1 1 50 50 LEU HD22 H 1 0.87 0.02 . 1 . . . A 326 LEU HD22 . 17776 1 532 . 1 1 50 50 LEU HD23 H 1 0.87 0.02 . 1 . . . A 326 LEU HD23 . 17776 1 533 . 1 1 50 50 LEU C C 13 180.13 0.05 . 1 . . . A 326 LEU C . 17776 1 534 . 1 1 50 50 LEU CA C 13 57.81 0.05 . 1 . . . A 326 LEU CA . 17776 1 535 . 1 1 50 50 LEU CB C 13 41.81 0.05 . 1 . . . A 326 LEU CB . 17776 1 536 . 1 1 50 50 LEU CG C 13 26.76 0.05 . 1 . . . A 326 LEU CG . 17776 1 537 . 1 1 50 50 LEU CD1 C 13 25.26 0.05 . 1 . . . A 326 LEU CD1 . 17776 1 538 . 1 1 50 50 LEU CD2 C 13 22.15 0.05 . 1 . . . A 326 LEU CD2 . 17776 1 539 . 1 1 50 50 LEU N N 15 122.11 0.05 . 1 . . . A 326 LEU N . 17776 1 540 . 1 1 51 51 LYS H H 1 8.43 0.02 . 1 . . . B 327 LYS H . 17776 1 541 . 1 1 51 51 LYS HA H 1 4.00 0.02 . 1 . . . B 327 LYS HA . 17776 1 542 . 1 1 51 51 LYS HB2 H 1 1.92 0.02 . 2 . . . B 327 LYS HB2 . 17776 1 543 . 1 1 51 51 LYS HB3 H 1 1.98 0.02 . 2 . . . B 327 LYS HB3 . 17776 1 544 . 1 1 51 51 LYS HG2 H 1 1.54 0.02 . 1 . . . B 327 LYS HG2 . 17776 1 545 . 1 1 51 51 LYS HG3 H 1 1.54 0.02 . 1 . . . B 327 LYS HG3 . 17776 1 546 . 1 1 51 51 LYS HD2 H 1 1.69 0.02 . 1 . . . B 327 LYS HD2 . 17776 1 547 . 1 1 51 51 LYS HD3 H 1 1.69 0.02 . 1 . . . B 327 LYS HD3 . 17776 1 548 . 1 1 51 51 LYS HE2 H 1 2.97 0.02 . 1 . . . B 327 LYS HE2 . 17776 1 549 . 1 1 51 51 LYS HE3 H 1 2.97 0.02 . 1 . . . B 327 LYS HE3 . 17776 1 550 . 1 1 51 51 LYS C C 13 177.69 0.05 . 1 . . . B 327 LYS C . 17776 1 551 . 1 1 51 51 LYS CA C 13 59.35 0.05 . 1 . . . B 327 LYS CA . 17776 1 552 . 1 1 51 51 LYS CB C 13 32.02 0.05 . 1 . . . B 327 LYS CB . 17776 1 553 . 1 1 51 51 LYS CG C 13 25.45 0.05 . 1 . . . B 327 LYS CG . 17776 1 554 . 1 1 51 51 LYS CD C 13 28.43 0.05 . 1 . . . B 327 LYS CD . 17776 1 555 . 1 1 51 51 LYS CE C 13 41.72 0.05 . 1 . . . B 327 LYS CE . 17776 1 556 . 1 1 51 51 LYS N N 15 121.73 0.05 . 1 . . . B 327 LYS N . 17776 1 557 . 1 1 52 52 GLN H H 1 7.96 0.02 . 1 . . . B 328 GLN H . 17776 1 558 . 1 1 52 52 GLN HA H 1 4.08 0.02 . 1 . . . B 328 GLN HA . 17776 1 559 . 1 1 52 52 GLN HB2 H 1 2.14 0.02 . 2 . . . B 328 GLN HB2 . 17776 1 560 . 1 1 52 52 GLN HB3 H 1 2.27 0.02 . 2 . . . B 328 GLN HB3 . 17776 1 561 . 1 1 52 52 GLN HG2 H 1 2.43 0.02 . 2 . . . B 328 GLN HG2 . 17776 1 562 . 1 1 52 52 GLN HG3 H 1 2.48 0.02 . 2 . . . B 328 GLN HG3 . 17776 1 563 . 1 1 52 52 GLN HE21 H 1 7.83 0.02 . 2 . . . B 328 GLN HE21 . 17776 1 564 . 1 1 52 52 GLN HE22 H 1 6.84 0.02 . 2 . . . B 328 GLN HE22 . 17776 1 565 . 1 1 52 52 GLN C C 13 177.96 0.05 . 1 . . . B 328 GLN C . 17776 1 566 . 1 1 52 52 GLN CA C 13 58.81 0.05 . 1 . . . B 328 GLN CA . 17776 1 567 . 1 1 52 52 GLN CB C 13 28.35 0.05 . 1 . . . B 328 GLN CB . 17776 1 568 . 1 1 52 52 GLN CG C 13 33.72 0.05 . 1 . . . B 328 GLN CG . 17776 1 569 . 1 1 52 52 GLN N N 15 119.59 0.05 . 1 . . . B 328 GLN N . 17776 1 570 . 1 1 52 52 GLN NE2 N 15 115.4 0.05 . 1 . . . B 328 GLN NE2 . 17776 1 571 . 1 1 53 53 LEU H H 1 8.10 0.02 . 1 . . . B 329 LEU H . 17776 1 572 . 1 1 53 53 LEU HA H 1 4.15 0.02 . 1 . . . B 329 LEU HA . 17776 1 573 . 1 1 53 53 LEU HB2 H 1 1.68 0.02 . 1 . . . B 329 LEU HB2 . 17776 1 574 . 1 1 53 53 LEU HB3 H 1 1.86 0.02 . 1 . . . B 329 LEU HB3 . 17776 1 575 . 1 1 53 53 LEU HG H 1 1.62 0.02 . 1 . . . B 329 LEU HG . 17776 1 576 . 1 1 53 53 LEU HD11 H 1 0.93 0.02 . 1 . . . B 329 LEU HD11 . 17776 1 577 . 1 1 53 53 LEU HD12 H 1 0.93 0.02 . 1 . . . B 329 LEU HD12 . 17776 1 578 . 1 1 53 53 LEU HD13 H 1 0.93 0.02 . 1 . . . B 329 LEU HD13 . 17776 1 579 . 1 1 53 53 LEU HD21 H 1 0.83 0.02 . 1 . . . B 329 LEU HD21 . 17776 1 580 . 1 1 53 53 LEU HD22 H 1 0.83 0.02 . 1 . . . B 329 LEU HD22 . 17776 1 581 . 1 1 53 53 LEU HD23 H 1 0.83 0.02 . 1 . . . B 329 LEU HD23 . 17776 1 582 . 1 1 53 53 LEU C C 13 179.58 0.05 . 1 . . . B 329 LEU C . 17776 1 583 . 1 1 53 53 LEU CA C 13 58.08 0.05 . 1 . . . B 329 LEU CA . 17776 1 584 . 1 1 53 53 LEU CB C 13 42.23 0.05 . 1 . . . B 329 LEU CB . 17776 1 585 . 1 1 53 53 LEU CG C 13 26.85 0.05 . 1 . . . B 329 LEU CG . 17776 1 586 . 1 1 53 53 LEU CD1 C 13 25.06 0.05 . 1 . . . B 329 LEU CD1 . 17776 1 587 . 1 1 53 53 LEU CD2 C 13 23.84 0.05 . 1 . . . B 329 LEU CD2 . 17776 1 588 . 1 1 53 53 LEU N N 15 119.18 0.05 . 1 . . . B 329 LEU N . 17776 1 589 . 1 1 54 54 ALA H H 1 7.85 0.02 . 1 . . . B 330 ALA H . 17776 1 590 . 1 1 54 54 ALA HA H 1 4.12 0.02 . 1 . . . B 330 ALA HA . 17776 1 591 . 1 1 54 54 ALA HB1 H 1 1.55 0.02 . 1 . . . B 330 ALA HB1 . 17776 1 592 . 1 1 54 54 ALA HB2 H 1 1.55 0.02 . 1 . . . B 330 ALA HB2 . 17776 1 593 . 1 1 54 54 ALA HB3 H 1 1.55 0.02 . 1 . . . B 330 ALA HB3 . 17776 1 594 . 1 1 54 54 ALA C C 13 180.53 0.05 . 1 . . . B 330 ALA C . 17776 1 595 . 1 1 54 54 ALA CA C 13 55.17 0.05 . 1 . . . B 330 ALA CA . 17776 1 596 . 1 1 54 54 ALA CB C 13 17.85 0.05 . 1 . . . B 330 ALA CB . 17776 1 597 . 1 1 54 54 ALA N N 15 122.11 0.05 . 1 . . . B 330 ALA N . 17776 1 598 . 1 1 55 55 ASP H H 1 8.46 0.02 . 1 . . . B 331 ASP H . 17776 1 599 . 1 1 55 55 ASP HA H 1 4.50 0.02 . 1 . . . B 331 ASP HA . 17776 1 600 . 1 1 55 55 ASP HB2 H 1 2.87 0.02 . 1 . . . B 331 ASP HB2 . 17776 1 601 . 1 1 55 55 ASP HB3 H 1 2.69 0.02 . 1 . . . B 331 ASP HB3 . 17776 1 602 . 1 1 55 55 ASP C C 13 179.08 0.05 . 1 . . . B 331 ASP C . 17776 1 603 . 1 1 55 55 ASP CA C 13 57.48 0.05 . 1 . . . B 331 ASP CA . 17776 1 604 . 1 1 55 55 ASP CB C 13 40.04 0.05 . 1 . . . B 331 ASP CB . 17776 1 605 . 1 1 55 55 ASP N N 15 121.54 0.05 . 1 . . . B 331 ASP N . 17776 1 606 . 1 1 56 56 ASP H H 1 8.76 0.02 . 1 . . . B 332 ASP H . 17776 1 607 . 1 1 56 56 ASP HA H 1 4.44 0.02 . 1 . . . B 332 ASP HA . 17776 1 608 . 1 1 56 56 ASP HB2 H 1 2.67 0.02 . 2 . . . B 332 ASP HB2 . 17776 1 609 . 1 1 56 56 ASP HB3 H 1 2.92 0.02 . 2 . . . B 332 ASP HB3 . 17776 1 610 . 1 1 56 56 ASP C C 13 179.10 0.05 . 1 . . . B 332 ASP C . 17776 1 611 . 1 1 56 56 ASP CA C 13 57.55 0.05 . 1 . . . B 332 ASP CA . 17776 1 612 . 1 1 56 56 ASP CB C 13 40.21 0.05 . 1 . . . B 332 ASP CB . 17776 1 613 . 1 1 56 56 ASP N N 15 121.80 0.05 . 1 . . . B 332 ASP N . 17776 1 614 . 1 1 57 57 ARG H H 1 8.23 0.02 . 1 . . . B 333 ARG H . 17776 1 615 . 1 1 57 57 ARG HA H 1 4.08 0.02 . 1 . . . B 333 ARG HA . 17776 1 616 . 1 1 57 57 ARG HB2 H 1 2.06 0.02 . 2 . . . B 333 ARG HB2 . 17776 1 617 . 1 1 57 57 ARG HB3 H 1 2.12 0.02 . 2 . . . B 333 ARG HB3 . 17776 1 618 . 1 1 57 57 ARG HG2 H 1 1.55 0.02 . 2 . . . B 333 ARG HG2 . 17776 1 619 . 1 1 57 57 ARG HG3 H 1 1.92 0.02 . 2 . . . B 333 ARG HG3 . 17776 1 620 . 1 1 57 57 ARG HD2 H 1 3.22 0.02 . 1 . . . B 333 ARG HD2 . 17776 1 621 . 1 1 57 57 ARG HD3 H 1 3.22 0.02 . 1 . . . B 333 ARG HD3 . 17776 1 622 . 1 1 57 57 ARG C C 13 178.18 0.05 . 1 . . . B 333 ARG C . 17776 1 623 . 1 1 57 57 ARG CA C 13 60.14 0.05 . 1 . . . B 333 ARG CA . 17776 1 624 . 1 1 57 57 ARG CB C 13 30.18 0.05 . 1 . . . B 333 ARG CB . 17776 1 625 . 1 1 57 57 ARG CG C 13 28.39 0.05 . 1 . . . B 333 ARG CG . 17776 1 626 . 1 1 57 57 ARG CD C 13 43.64 0.05 . 1 . . . B 333 ARG CD . 17776 1 627 . 1 1 57 57 ARG N N 15 121.33 0.05 . 1 . . . B 333 ARG N . 17776 1 628 . 1 1 58 58 THR H H 1 8.07 0.02 . 1 . . . B 334 THR H . 17776 1 629 . 1 1 58 58 THR HA H 1 3.95 0.02 . 1 . . . B 334 THR HA . 17776 1 630 . 1 1 58 58 THR HB H 1 4.37 0.02 . 1 . . . B 334 THR HB . 17776 1 631 . 1 1 58 58 THR HG21 H 1 1.31 0.02 . 1 . . . B 334 THR HG21 . 17776 1 632 . 1 1 58 58 THR HG22 H 1 1.31 0.02 . 1 . . . B 334 THR HG22 . 17776 1 633 . 1 1 58 58 THR HG23 H 1 1.31 0.02 . 1 . . . B 334 THR HG23 . 17776 1 634 . 1 1 58 58 THR C C 13 176.69 0.05 . 1 . . . B 334 THR C . 17776 1 635 . 1 1 58 58 THR CA C 13 66.83 0.05 . 1 . . . B 334 THR CA . 17776 1 636 . 1 1 58 58 THR CB C 13 68.67 0.05 . 1 . . . B 334 THR CB . 17776 1 637 . 1 1 58 58 THR CG2 C 13 21.95 0.05 . 1 . . . B 334 THR CG2 . 17776 1 638 . 1 1 58 58 THR N N 15 116.08 0.05 . 1 . . . B 334 THR N . 17776 1 639 . 1 1 59 59 LEU H H 1 7.78 0.02 . 1 . . . B 335 LEU H . 17776 1 640 . 1 1 59 59 LEU HA H 1 4.14 0.02 . 1 . . . B 335 LEU HA . 17776 1 641 . 1 1 59 59 LEU HB2 H 1 1.67 0.02 . 2 . . . B 335 LEU HB2 . 17776 1 642 . 1 1 59 59 LEU HB3 H 1 1.86 0.02 . 2 . . . B 335 LEU HB3 . 17776 1 643 . 1 1 59 59 LEU HG H 1 1.53 0.02 . 1 . . . B 335 LEU HG . 17776 1 644 . 1 1 59 59 LEU HD21 H 1 0.87 0.02 . 2 . . . B 335 LEU HD21 . 17776 1 645 . 1 1 59 59 LEU HD22 H 1 0.87 0.02 . 2 . . . B 335 LEU HD22 . 17776 1 646 . 1 1 59 59 LEU HD23 H 1 0.87 0.02 . 2 . . . B 335 LEU HD23 . 17776 1 647 . 1 1 59 59 LEU C C 13 180.04 0.05 . 1 . . . B 335 LEU C . 17776 1 648 . 1 1 59 59 LEU CA C 13 57.86 0.05 . 1 . . . B 335 LEU CA . 17776 1 649 . 1 1 59 59 LEU CB C 13 41.89 0.05 . 1 . . . B 335 LEU CB . 17776 1 650 . 1 1 59 59 LEU CG C 13 28.56 0.05 . 1 . . . B 335 LEU CG . 17776 1 651 . 1 1 59 59 LEU CD1 C 13 27.02 0.05 . 2 . . . B 335 LEU CD1 . 17776 1 652 . 1 1 59 59 LEU CD2 C 13 23.92 0.05 . 2 . . . B 335 LEU CD2 . 17776 1 653 . 1 1 59 59 LEU N N 15 122.82 0.05 . 1 . . . B 335 LEU N . 17776 1 654 . 1 1 60 60 LEU H H 1 8.20 0.02 . 1 . . . B 336 LEU H . 17776 1 655 . 1 1 60 60 LEU HA H 1 4.11 0.02 . 1 . . . B 336 LEU HA . 17776 1 656 . 1 1 60 60 LEU HB2 H 1 1.80 0.02 . 1 . . . B 336 LEU HB2 . 17776 1 657 . 1 1 60 60 LEU HB3 H 1 1.80 0.02 . 1 . . . B 336 LEU HB3 . 17776 1 658 . 1 1 60 60 LEU HG H 1 1.67 0.02 . 1 . . . B 336 LEU HG . 17776 1 659 . 1 1 60 60 LEU HD11 H 1 0.87 0.02 . 1 . . . B 336 LEU HD11 . 17776 1 660 . 1 1 60 60 LEU HD12 H 1 0.87 0.02 . 1 . . . B 336 LEU HD12 . 17776 1 661 . 1 1 60 60 LEU HD13 H 1 0.87 0.02 . 1 . . . B 336 LEU HD13 . 17776 1 662 . 1 1 60 60 LEU HD21 H 1 0.87 0.02 . 1 . . . B 336 LEU HD21 . 17776 1 663 . 1 1 60 60 LEU HD22 H 1 0.87 0.02 . 1 . . . B 336 LEU HD22 . 17776 1 664 . 1 1 60 60 LEU HD23 H 1 0.87 0.02 . 1 . . . B 336 LEU HD23 . 17776 1 665 . 1 1 60 60 LEU C C 13 179.36 0.05 . 1 . . . B 336 LEU C . 17776 1 666 . 1 1 60 60 LEU CA C 13 58.03 0.05 . 1 . . . B 336 LEU CA . 17776 1 667 . 1 1 60 60 LEU CB C 13 42.04 0.05 . 1 . . . B 336 LEU CB . 17776 1 668 . 1 1 60 60 LEU CG C 13 27.06 0.05 . 1 . . . B 336 LEU CG . 17776 1 669 . 1 1 60 60 LEU CD1 C 13 24.37 0.05 . 2 . . . B 336 LEU CD1 . 17776 1 670 . 1 1 60 60 LEU CD2 C 13 24.98 0.05 . 2 . . . B 336 LEU CD2 . 17776 1 671 . 1 1 60 60 LEU N N 15 122.20 0.05 . 1 . . . B 336 LEU N . 17776 1 672 . 1 1 61 61 MET H H 1 8.34 0.02 . 1 . . . B 337 MET H . 17776 1 673 . 1 1 61 61 MET HA H 1 4.16 0.02 . 1 . . . B 337 MET HA . 17776 1 674 . 1 1 61 61 MET HB2 H 1 2.15 0.02 . 2 . . . B 337 MET HB2 . 17776 1 675 . 1 1 61 61 MET HB3 H 1 1.82 0.02 . 2 . . . B 337 MET HB3 . 17776 1 676 . 1 1 61 61 MET HG2 H 1 2.61 0.02 . 2 . . . B 337 MET HG2 . 17776 1 677 . 1 1 61 61 MET HG3 H 1 2.71 0.02 . 2 . . . B 337 MET HG3 . 17776 1 678 . 1 1 61 61 MET HE1 H 1 1.93 0.02 . 1 . . . B 337 MET HE1 . 17776 1 679 . 1 1 61 61 MET HE2 H 1 1.93 0.02 . 1 . . . B 337 MET HE2 . 17776 1 680 . 1 1 61 61 MET HE3 H 1 1.93 0.02 . 1 . . . B 337 MET HE3 . 17776 1 681 . 1 1 61 61 MET C C 13 177.00 0.05 . 1 . . . B 337 MET C . 17776 1 682 . 1 1 61 61 MET CA C 13 58.02 0.05 . 1 . . . B 337 MET CA . 17776 1 683 . 1 1 61 61 MET CB C 13 31.96 0.05 . 1 . . . B 337 MET CB . 17776 1 684 . 1 1 61 61 MET CG C 13 32.55 0.05 . 1 . . . B 337 MET CG . 17776 1 685 . 1 1 61 61 MET CE C 13 17.40 0.05 . 1 . . . B 337 MET CE . 17776 1 686 . 1 1 61 61 MET N N 15 117.14 0.05 . 1 . . . B 337 MET N . 17776 1 687 . 1 1 62 62 ALA H H 1 8.03 0.02 . 1 . . . B 338 ALA H . 17776 1 688 . 1 1 62 62 ALA HA H 1 4.13 0.02 . 1 . . . B 338 ALA HA . 17776 1 689 . 1 1 62 62 ALA HB1 H 1 1.54 0.02 . 1 . . . B 338 ALA HB1 . 17776 1 690 . 1 1 62 62 ALA HB2 H 1 1.54 0.02 . 1 . . . B 338 ALA HB2 . 17776 1 691 . 1 1 62 62 ALA HB3 H 1 1.54 0.02 . 1 . . . B 338 ALA HB3 . 17776 1 692 . 1 1 62 62 ALA C C 13 180.42 0.05 . 1 . . . B 338 ALA C . 17776 1 693 . 1 1 62 62 ALA CA C 13 55.05 0.05 . 1 . . . B 338 ALA CA . 17776 1 694 . 1 1 62 62 ALA CB C 13 18.03 0.05 . 1 . . . B 338 ALA CB . 17776 1 695 . 1 1 62 62 ALA N N 15 122.85 0.05 . 1 . . . B 338 ALA N . 17776 1 696 . 1 1 63 63 GLY H H 1 8.01 0.02 . 1 . . . B 339 GLY H . 17776 1 697 . 1 1 63 63 GLY HA2 H 1 3.91 0.02 . 2 . . . B 339 GLY HA2 . 17776 1 698 . 1 1 63 63 GLY HA3 H 1 3.95 0.02 . 2 . . . B 339 GLY HA3 . 17776 1 699 . 1 1 63 63 GLY C C 13 175.24 0.05 . 1 . . . B 339 GLY C . 17776 1 700 . 1 1 63 63 GLY CA C 13 47.19 0.05 . 1 . . . B 339 GLY CA . 17776 1 701 . 1 1 63 63 GLY N N 15 107.14 0.05 . 1 . . . B 339 GLY N . 17776 1 702 . 1 1 64 64 VAL H H 1 8.07 0.02 . 1 . . . B 340 VAL H . 17776 1 703 . 1 1 64 64 VAL HA H 1 3.81 0.02 . 1 . . . B 340 VAL HA . 17776 1 704 . 1 1 64 64 VAL HB H 1 1.93 0.02 . 1 . . . B 340 VAL HB . 17776 1 705 . 1 1 64 64 VAL HG11 H 1 0.64 0.02 . 1 . . . B 340 VAL HG11 . 17776 1 706 . 1 1 64 64 VAL HG12 H 1 0.64 0.02 . 1 . . . B 340 VAL HG12 . 17776 1 707 . 1 1 64 64 VAL HG13 H 1 0.64 0.02 . 1 . . . B 340 VAL HG13 . 17776 1 708 . 1 1 64 64 VAL HG21 H 1 0.78 0.02 . 1 . . . B 340 VAL HG21 . 17776 1 709 . 1 1 64 64 VAL HG22 H 1 0.78 0.02 . 1 . . . B 340 VAL HG22 . 17776 1 710 . 1 1 64 64 VAL HG23 H 1 0.78 0.02 . 1 . . . B 340 VAL HG23 . 17776 1 711 . 1 1 64 64 VAL C C 13 176.96 0.05 . 1 . . . B 340 VAL C . 17776 1 712 . 1 1 64 64 VAL CA C 13 65.77 0.05 . 1 . . . B 340 VAL CA . 17776 1 713 . 1 1 64 64 VAL CB C 13 31.92 0.05 . 1 . . . B 340 VAL CB . 17776 1 714 . 1 1 64 64 VAL CG1 C 13 20.98 0.05 . 1 . . . B 340 VAL CG1 . 17776 1 715 . 1 1 64 64 VAL CG2 C 13 22.55 0.05 . 1 . . . B 340 VAL CG2 . 17776 1 716 . 1 1 64 64 VAL N N 15 121.56 0.05 . 1 . . . B 340 VAL N . 17776 1 717 . 1 1 65 65 SER H H 1 7.84 0.02 . 1 . . . B 341 SER H . 17776 1 718 . 1 1 65 65 SER HA H 1 3.98 0.02 . 1 . . . B 341 SER HA . 17776 1 719 . 1 1 65 65 SER HB2 H 1 3.87 0.02 . 1 . . . B 341 SER HB2 . 17776 1 720 . 1 1 65 65 SER HB3 H 1 3.87 0.02 . 1 . . . B 341 SER HB3 . 17776 1 721 . 1 1 65 65 SER C C 13 175.86 0.05 . 1 . . . B 341 SER C . 17776 1 722 . 1 1 65 65 SER CA C 13 61.43 0.05 . 1 . . . B 341 SER CA . 17776 1 723 . 1 1 65 65 SER CB C 13 63.09 0.05 . 1 . . . B 341 SER CB . 17776 1 724 . 1 1 65 65 SER N N 15 112.89 0.05 . 1 . . . B 341 SER N . 17776 1 725 . 1 1 66 66 HIS H H 1 7.70 0.02 . 1 . . . B 342 HIS H . 17776 1 726 . 1 1 66 66 HIS HA H 1 3.93 0.02 . 1 . . . B 342 HIS HA . 17776 1 727 . 1 1 66 66 HIS HB2 H 1 3.29 0.02 . 2 . . . B 342 HIS HB2 . 17776 1 728 . 1 1 66 66 HIS HB3 H 1 3.32 0.02 . 2 . . . B 342 HIS HB3 . 17776 1 729 . 1 1 66 66 HIS HD2 H 1 6.14 0.02 . 1 . . . B 342 HIS HD2 . 17776 1 730 . 1 1 66 66 HIS HE1 H 1 7.96 0.02 . 1 . . . B 342 HIS HE1 . 17776 1 731 . 1 1 66 66 HIS C C 13 177.78 0.05 . 1 . . . B 342 HIS C . 17776 1 732 . 1 1 66 66 HIS CA C 13 59.36 0.05 . 1 . . . B 342 HIS CA . 17776 1 733 . 1 1 66 66 HIS CB C 13 29.98 0.05 . 1 . . . B 342 HIS CB . 17776 1 734 . 1 1 66 66 HIS N N 15 119.11 0.05 . 1 . . . B 342 HIS N . 17776 1 735 . 1 1 67 67 ASP H H 1 8.74 0.02 . 1 . . . B 343 ASP H . 17776 1 736 . 1 1 67 67 ASP HA H 1 4.46 0.02 . 1 . . . B 343 ASP HA . 17776 1 737 . 1 1 67 67 ASP HB2 H 1 2.69 0.02 . 2 . . . B 343 ASP HB2 . 17776 1 738 . 1 1 67 67 ASP HB3 H 1 2.89 0.02 . 2 . . . B 343 ASP HB3 . 17776 1 739 . 1 1 67 67 ASP C C 13 178.47 0.05 . 1 . . . B 343 ASP C . 17776 1 740 . 1 1 67 67 ASP CA C 13 57.28 0.05 . 1 . . . B 343 ASP CA . 17776 1 741 . 1 1 67 67 ASP CB C 13 39.91 0.05 . 1 . . . B 343 ASP CB . 17776 1 742 . 1 1 67 67 ASP N N 15 120.91 0.05 . 1 . . . B 343 ASP N . 17776 1 743 . 1 1 68 68 LEU H H 1 8.28 0.02 . 1 . . . B 344 LEU H . 17776 1 744 . 1 1 68 68 LEU HA H 1 4.21 0.02 . 1 . . . B 344 LEU HA . 17776 1 745 . 1 1 68 68 LEU HB2 H 1 1.56 0.02 . 2 . . . B 344 LEU HB2 . 17776 1 746 . 1 1 68 68 LEU HB3 H 1 1.84 0.02 . 2 . . . B 344 LEU HB3 . 17776 1 747 . 1 1 68 68 LEU HG H 1 1.88 0.02 . 1 . . . B 344 LEU HG . 17776 1 748 . 1 1 68 68 LEU HD11 H 1 0.82 0.02 . 2 . . . B 344 LEU HD11 . 17776 1 749 . 1 1 68 68 LEU HD12 H 1 0.82 0.02 . 2 . . . B 344 LEU HD12 . 17776 1 750 . 1 1 68 68 LEU HD13 H 1 0.82 0.02 . 2 . . . B 344 LEU HD13 . 17776 1 751 . 1 1 68 68 LEU HD21 H 1 0.86 0.02 . 2 . . . B 344 LEU HD21 . 17776 1 752 . 1 1 68 68 LEU HD22 H 1 0.86 0.02 . 2 . . . B 344 LEU HD22 . 17776 1 753 . 1 1 68 68 LEU HD23 H 1 0.86 0.02 . 2 . . . B 344 LEU HD23 . 17776 1 754 . 1 1 68 68 LEU C C 13 177.01 0.05 . 1 . . . B 344 LEU C . 17776 1 755 . 1 1 68 68 LEU CA C 13 56.90 0.05 . 1 . . . B 344 LEU CA . 17776 1 756 . 1 1 68 68 LEU CB C 13 43.22 0.05 . 1 . . . B 344 LEU CB . 17776 1 757 . 1 1 68 68 LEU CG C 13 27.19 0.05 . 1 . . . B 344 LEU CG . 17776 1 758 . 1 1 68 68 LEU CD1 C 13 25.44 0.05 . 2 . . . B 344 LEU CD1 . 17776 1 759 . 1 1 68 68 LEU N N 15 118.33 0.05 . 1 . . . B 344 LEU N . 17776 1 760 . 1 1 69 69 ARG H H 1 7.47 0.02 . 1 . . . B 345 ARG H . 17776 1 761 . 1 1 69 69 ARG HA H 1 3.94 0.02 . 1 . . . B 345 ARG HA . 17776 1 762 . 1 1 69 69 ARG HB2 H 1 1.88 0.02 . 2 . . . B 345 ARG HB2 . 17776 1 763 . 1 1 69 69 ARG HB3 H 1 2.02 0.02 . 2 . . . B 345 ARG HB3 . 17776 1 764 . 1 1 69 69 ARG HG2 H 1 1.65 0.02 . 1 . . . B 345 ARG HG2 . 17776 1 765 . 1 1 69 69 ARG HG3 H 1 1.65 0.02 . 1 . . . B 345 ARG HG3 . 17776 1 766 . 1 1 69 69 ARG HD2 H 1 3.17 0.02 . 1 . . . B 345 ARG HD2 . 17776 1 767 . 1 1 69 69 ARG HD3 H 1 3.17 0.02 . 1 . . . B 345 ARG HD3 . 17776 1 768 . 1 1 69 69 ARG C C 13 178.84 0.05 . 1 . . . B 345 ARG C . 17776 1 769 . 1 1 69 69 ARG CA C 13 59.55 0.05 . 1 . . . B 345 ARG CA . 17776 1 770 . 1 1 69 69 ARG CB C 13 30.24 0.05 . 1 . . . B 345 ARG CB . 17776 1 771 . 1 1 69 69 ARG CG C 13 28.72 0.05 . 1 . . . B 345 ARG CG . 17776 1 772 . 1 1 69 69 ARG CD C 13 43.26 0.05 . 1 . . . B 345 ARG CD . 17776 1 773 . 1 1 69 69 ARG N N 15 114.53 0.05 . 1 . . . B 345 ARG N . 17776 1 774 . 1 1 70 70 THR H H 1 7.59 0.02 . 1 . . . B 346 THR H . 17776 1 775 . 1 1 70 70 THR HA H 1 4.38 0.02 . 1 . . . B 346 THR HA . 17776 1 776 . 1 1 70 70 THR HB H 1 4.09 0.02 . 1 . . . B 346 THR HB . 17776 1 777 . 1 1 70 70 THR HG21 H 1 1.20 0.02 . 1 . . . B 346 THR HG21 . 17776 1 778 . 1 1 70 70 THR HG22 H 1 1.20 0.02 . 1 . . . B 346 THR HG22 . 17776 1 779 . 1 1 70 70 THR HG23 H 1 1.20 0.02 . 1 . . . B 346 THR HG23 . 17776 1 780 . 1 1 70 70 THR CA C 13 66.65 0.05 . 1 . . . B 346 THR CA . 17776 1 781 . 1 1 70 70 THR CB C 13 69.09 0.05 . 1 . . . B 346 THR CB . 17776 1 782 . 1 1 70 70 THR CG2 C 13 22.04 0.05 . 1 . . . B 346 THR CG2 . 17776 1 783 . 1 1 70 70 THR N N 15 115.74 0.05 . 1 . . . B 346 THR N . 17776 1 784 . 1 1 71 71 PRO HA H 1 4.10 0.02 . 1 . . . B 347 PRO HA . 17776 1 785 . 1 1 71 71 PRO HB2 H 1 2.31 0.02 . 2 . . . B 347 PRO HA . 17776 1 786 . 1 1 71 71 PRO HB3 H 1 1.89 0.02 . 2 . . . B 347 PRO HA . 17776 1 787 . 1 1 71 71 PRO HG2 H 1 1.87 0.02 . 2 . . . B 347 PRO HG2 . 17776 1 788 . 1 1 71 71 PRO HG3 H 1 2.30 0.02 . 2 . . . B 347 PRO HG3 . 17776 1 789 . 1 1 71 71 PRO HD2 H 1 4.18 0.02 . 2 . . . B 347 PRO HD2 . 17776 1 790 . 1 1 71 71 PRO HD3 H 1 3.41 0.02 . 2 . . . B 347 PRO HD3 . 17776 1 791 . 1 1 71 71 PRO CA C 13 65.67 0.05 . 1 . . . B 347 PRO CA . 17776 1 792 . 1 1 71 71 PRO CB C 13 31.38 0.05 . 1 . . . B 347 PRO CB . 17776 1 793 . 1 1 71 71 PRO CD C 13 50.15 0.05 . 1 . . . B 347 PRO CD . 17776 1 794 . 1 1 72 72 LEU H H 1 6.89 0.02 . 1 . . . B 348 LEU H . 17776 1 795 . 1 1 72 72 LEU HA H 1 3.95 0.02 . 1 . . . B 348 LEU HA . 17776 1 796 . 1 1 72 72 LEU C C 13 179.12 0.05 . 1 . . . B 348 LEU C . 17776 1 797 . 1 1 72 72 LEU CA C 13 58.45 0.05 . 1 . . . B 348 LEU CA . 17776 1 798 . 1 1 72 72 LEU CB C 13 41.36 0.05 . 1 . . . B 348 LEU CB . 17776 1 799 . 1 1 72 72 LEU CD1 C 13 26.50 0.05 . 2 . . . B 348 LEU CD1 . 17776 1 800 . 1 1 72 72 LEU CD2 C 13 23.28 0.05 . 2 . . . B 348 LEU CD2 . 17776 1 801 . 1 1 72 72 LEU N N 15 114.94 0.05 . 1 . . . B 348 LEU N . 17776 1 802 . 1 1 73 73 THR H H 1 8.15 0.02 . 1 . . . B 349 THR H . 17776 1 803 . 1 1 73 73 THR HA H 1 3.93 0.02 . 1 . . . B 349 THR HA . 17776 1 804 . 1 1 73 73 THR HB H 1 4.41 0.02 . 1 . . . B 349 THR HB . 17776 1 805 . 1 1 73 73 THR HG21 H 1 1.22 0.02 . 1 . . . B 349 THR HG21 . 17776 1 806 . 1 1 73 73 THR HG22 H 1 1.22 0.02 . 1 . . . B 349 THR HG22 . 17776 1 807 . 1 1 73 73 THR HG23 H 1 1.22 0.02 . 1 . . . B 349 THR HG23 . 17776 1 808 . 1 1 73 73 THR C C 13 176.10 0.05 . 1 . . . B 349 THR C . 17776 1 809 . 1 1 73 73 THR CA C 13 66.76 0.05 . 1 . . . B 349 THR CA . 17776 1 810 . 1 1 73 73 THR CB C 13 68.77 0.05 . 1 . . . B 349 THR CB . 17776 1 811 . 1 1 73 73 THR CG2 C 13 21.46 0.05 . 1 . . . B 349 THR CG2 . 17776 1 812 . 1 1 73 73 THR N N 15 116.28 0.05 . 1 . . . B 349 THR N . 17776 1 813 . 1 1 74 74 ARG H H 1 7.55 0.02 . 1 . . . B 350 ARG H . 17776 1 814 . 1 1 74 74 ARG C C 13 180.13 0.05 . 1 . . . B 350 ARG C . 17776 1 815 . 1 1 74 74 ARG CA C 13 61.03 0.05 . 1 . . . B 350 ARG CA . 17776 1 816 . 1 1 74 74 ARG CB C 13 30.93 0.05 . 1 . . . B 350 ARG CB . 17776 1 817 . 1 1 74 74 ARG CG C 13 29.61 0.05 . 1 . . . B 350 ARG CG . 17776 1 818 . 1 1 74 74 ARG N N 15 121.32 0.05 . 1 . . . B 350 ARG N . 17776 1 819 . 1 1 75 75 ILE H H 1 8.09 0.02 . 1 . . . B 351 ILE H . 17776 1 820 . 1 1 75 75 ILE HA H 1 3.72 0.02 . 1 . . . B 351 ILE HA . 17776 1 821 . 1 1 75 75 ILE HG21 H 1 0.83 0.02 . 1 . . . B 351 ILE HG21 . 17776 1 822 . 1 1 75 75 ILE HG22 H 1 0.83 0.02 . 1 . . . B 351 ILE HG22 . 17776 1 823 . 1 1 75 75 ILE HG23 H 1 0.83 0.02 . 1 . . . B 351 ILE HG23 . 17776 1 824 . 1 1 75 75 ILE C C 13 177.07 0.05 . 1 . . . B 351 ILE C . 17776 1 825 . 1 1 75 75 ILE CA C 13 65.96 0.05 . 1 . . . B 351 ILE CA . 17776 1 826 . 1 1 75 75 ILE CB C 13 37.60 0.05 . 1 . . . B 351 ILE CB . 17776 1 827 . 1 1 75 75 ILE CG1 C 13 29.38 0.05 . 1 . . . B 351 ILE CG1 . 17776 1 828 . 1 1 75 75 ILE CG2 C 13 17.90 0.05 . 1 . . . B 351 ILE CG2 . 17776 1 829 . 1 1 75 75 ILE CD1 C 13 13.55 0.05 . 1 . . . B 351 ILE CD1 . 17776 1 830 . 1 1 75 75 ILE N N 15 122.39 0.05 . 1 . . . B 351 ILE N . 17776 1 831 . 1 1 76 76 ARG H H 1 7.76 0.02 . 1 . . . B 352 ARG H . 17776 1 832 . 1 1 76 76 ARG CA C 13 59.34 0.05 . 1 . . . B 352 ARG CA . 17776 1 833 . 1 1 76 76 ARG N N 15 120.45 0.05 . 1 . . . B 352 ARG N . 17776 1 834 . 1 1 78 78 ALA HA H 1 4.14 0.02 . 1 . . . B 354 ALA HA . 17776 1 835 . 1 1 78 78 ALA HB1 H 1 1.49 0.02 . 1 . . . B 354 ALA HB1 . 17776 1 836 . 1 1 78 78 ALA HB2 H 1 1.49 0.02 . 1 . . . B 354 ALA HB2 . 17776 1 837 . 1 1 78 78 ALA HB3 H 1 1.49 0.02 . 1 . . . B 354 ALA HB3 . 17776 1 838 . 1 1 78 78 ALA C C 13 180.62 0.05 . 1 . . . B 354 ALA C . 17776 1 839 . 1 1 78 78 ALA CA C 13 55.15 0.05 . 1 . . . B 354 ALA CA . 17776 1 840 . 1 1 78 78 ALA CB C 13 17.86 0.05 . 1 . . . B 354 ALA CB . 17776 1 841 . 1 1 79 79 THR H H 1 7.97 0.02 . 1 . . . B 355 THR H . 17776 1 842 . 1 1 79 79 THR HA H 1 4.04 0.02 . 1 . . . B 355 THR HA . 17776 1 843 . 1 1 79 79 THR HB H 1 4.07 0.02 . 1 . . . B 355 THR HB . 17776 1 844 . 1 1 79 79 THR HG1 H 1 6.13 0.02 . 1 . . . B 355 THR HG1 . 17776 1 845 . 1 1 79 79 THR HG21 H 1 1.38 0.02 . 1 . . . B 355 THR HG21 . 17776 1 846 . 1 1 79 79 THR HG22 H 1 1.38 0.02 . 1 . . . B 355 THR HG22 . 17776 1 847 . 1 1 79 79 THR HG23 H 1 1.38 0.02 . 1 . . . B 355 THR HG23 . 17776 1 848 . 1 1 79 79 THR C C 13 177.25 0.05 . 1 . . . B 355 THR C . 17776 1 849 . 1 1 79 79 THR CA C 13 65.16 0.05 . 1 . . . B 355 THR CA . 17776 1 850 . 1 1 79 79 THR CB C 13 68.96 0.05 . 1 . . . B 355 THR CB . 17776 1 851 . 1 1 79 79 THR CG2 C 13 22.13 0.05 . 1 . . . B 355 THR CG2 . 17776 1 852 . 1 1 79 79 THR N N 15 107.52 0.05 . 1 . . . B 355 THR N . 17776 1 853 . 1 1 80 80 GLU H H 1 7.39 0.02 . 1 . . . B 356 GLU H . 17776 1 854 . 1 1 80 80 GLU HA H 1 4.09 0.02 . 1 . . . B 356 GLU HA . 17776 1 855 . 1 1 80 80 GLU C C 13 177.28 0.05 . 1 . . . B 356 GLU C . 17776 1 856 . 1 1 80 80 GLU CA C 13 58.02 0.05 . 1 . . . B 356 GLU CA . 17776 1 857 . 1 1 80 80 GLU CB C 13 29.49 0.05 . 1 . . . B 356 GLU CB . 17776 1 858 . 1 1 80 80 GLU CG C 13 36.36 0.05 . 1 . . . B 356 GLU CG . 17776 1 859 . 1 1 80 80 GLU N N 15 120.49 0.05 . 1 . . . B 356 GLU N . 17776 1 860 . 1 1 81 81 MET H H 1 7.50 0.02 . 1 . . . B 357 MET H . 17776 1 861 . 1 1 81 81 MET CA C 13 55.03 0.05 . 1 . . . B 357 MET CA . 17776 1 862 . 1 1 81 81 MET CB C 13 32.66 0.05 . 1 . . . B 357 MET CB . 17776 1 863 . 1 1 81 81 MET CG C 13 33.58 0.05 . 1 . . . B 357 MET CG . 17776 1 864 . 1 1 81 81 MET N N 15 115.66 0.05 . 1 . . . B 357 MET N . 17776 1 865 . 1 1 82 82 MET H H 1 7.01 0.02 . 1 . . . B 358 MET H . 17776 1 866 . 1 1 82 82 MET HA H 1 3.97 0.02 . 1 . . . B 358 MET HA . 17776 1 867 . 1 1 82 82 MET CA C 13 57.26 0.05 . 1 . . . B 358 MET CA . 17776 1 868 . 1 1 82 82 MET CB C 13 33.94 0.05 . 1 . . . B 358 MET CB . 17776 1 869 . 1 1 82 82 MET N N 15 119.47 0.05 . 1 . . . B 358 MET N . 17776 1 870 . 1 1 86 86 ASP H H 1 7.62 0.02 . 1 . . . B 362 ASP H . 17776 1 871 . 1 1 86 86 ASP HA H 1 5.10 0.02 . 1 . . . B 362 ASP HA . 17776 1 872 . 1 1 86 86 ASP HB2 H 1 2.61 0.02 . 2 . . . B 362 ASP HB2 . 17776 1 873 . 1 1 86 86 ASP HB3 H 1 3.04 0.02 . 2 . . . B 362 ASP HB3 . 17776 1 874 . 1 1 86 86 ASP C C 13 176.74 0.05 . 1 . . . B 362 ASP C . 17776 1 875 . 1 1 86 86 ASP CA C 13 53.68 0.05 . 1 . . . B 362 ASP CA . 17776 1 876 . 1 1 86 86 ASP CB C 13 40.93 0.05 . 1 . . . B 362 ASP CB . 17776 1 877 . 1 1 86 86 ASP N N 15 118.71 0.05 . 1 . . . B 362 ASP N . 17776 1 878 . 1 1 87 87 GLY H H 1 7.93 0.02 . 1 . . . B 363 GLY H . 17776 1 879 . 1 1 87 87 GLY HA2 H 1 3.95 0.02 . 2 . . . B 363 GLY HA2 . 17776 1 880 . 1 1 87 87 GLY HA3 H 1 4.07 0.02 . 2 . . . B 363 GLY HA3 . 17776 1 881 . 1 1 87 87 GLY CA C 13 47.88 0.05 . 1 . . . B 363 GLY CA . 17776 1 882 . 1 1 87 87 GLY N N 15 110.38 0.05 . 1 . . . B 363 GLY N . 17776 1 883 . 1 1 88 88 TYR HA H 1 4.69 0.02 . 1 . . . B 364 TYR HA . 17776 1 884 . 1 1 88 88 TYR HB2 H 1 3.14 0.02 . 2 . . . B 364 TYR HB2 . 17776 1 885 . 1 1 88 88 TYR HD1 H 1 7.16 0.02 . 1 . . . B 364 TYR HD1 . 17776 1 886 . 1 1 88 88 TYR HD2 H 1 7.16 0.02 . 1 . . . B 364 TYR HD2 . 17776 1 887 . 1 1 88 88 TYR HE1 H 1 6.94 0.02 . 1 . . . B 364 TYR HE1 . 17776 1 888 . 1 1 88 88 TYR HE2 H 1 6.94 0.02 . 1 . . . B 364 TYR HE2 . 17776 1 889 . 1 1 88 88 TYR C C 13 177.61 0.05 . 1 . . . B 364 TYR C . 17776 1 890 . 1 1 88 88 TYR CA C 13 58.36 0.05 . 1 . . . B 364 TYR CA . 17776 1 891 . 1 1 88 88 TYR CB C 13 41.80 0.05 . 1 . . . B 364 TYR CB . 17776 1 892 . 1 1 89 89 LEU H H 1 7.09 0.02 . 1 . . . B 365 LEU H . 17776 1 893 . 1 1 89 89 LEU HA H 1 3.92 0.02 . 1 . . . B 365 LEU HA . 17776 1 894 . 1 1 89 89 LEU HB2 H 1 1.14 0.02 . 2 . . . B 365 LEU HB2 . 17776 1 895 . 1 1 89 89 LEU HB3 H 1 1.65 0.02 . 2 . . . B 365 LEU HB3 . 17776 1 896 . 1 1 89 89 LEU HG H 1 1.63 0.02 . 1 . . . B 365 LEU HG . 17776 1 897 . 1 1 89 89 LEU HD11 H 1 0.80 0.02 . 1 . . . B 365 LEU HD11 . 17776 1 898 . 1 1 89 89 LEU HD12 H 1 0.80 0.02 . 1 . . . B 365 LEU HD12 . 17776 1 899 . 1 1 89 89 LEU HD13 H 1 0.80 0.02 . 1 . . . B 365 LEU HD13 . 17776 1 900 . 1 1 89 89 LEU HD21 H 1 0.80 0.02 . 1 . . . B 365 LEU HD21 . 17776 1 901 . 1 1 89 89 LEU HD22 H 1 0.80 0.02 . 1 . . . B 365 LEU HD22 . 17776 1 902 . 1 1 89 89 LEU HD23 H 1 0.80 0.02 . 1 . . . B 365 LEU HD23 . 17776 1 903 . 1 1 89 89 LEU C C 13 178.18 0.05 . 1 . . . B 365 LEU C . 17776 1 904 . 1 1 89 89 LEU CA C 13 56.73 0.05 . 1 . . . B 365 LEU CA . 17776 1 905 . 1 1 89 89 LEU CB C 13 41.93 0.05 . 1 . . . B 365 LEU CB . 17776 1 906 . 1 1 89 89 LEU CG C 13 26.29 0.05 . 1 . . . B 365 LEU CG . 17776 1 907 . 1 1 89 89 LEU CD1 C 13 25.31 0.05 . 2 . . . B 365 LEU CD1 . 17776 1 908 . 1 1 89 89 LEU CD2 C 13 23.59 0.05 . 2 . . . B 365 LEU CD2 . 17776 1 909 . 1 1 89 89 LEU N N 15 123.91 0.05 . 1 . . . B 365 LEU N . 17776 1 910 . 1 1 90 90 ALA H H 1 7.88 0.02 . 1 . . . B 366 ALA H . 17776 1 911 . 1 1 90 90 ALA HA H 1 3.84 0.02 . 1 . . . B 366 ALA HA . 17776 1 912 . 1 1 90 90 ALA HB1 H 1 1.57 0.02 . 1 . . . B 366 ALA HB1 . 17776 1 913 . 1 1 90 90 ALA HB2 H 1 1.57 0.02 . 1 . . . B 366 ALA HB2 . 17776 1 914 . 1 1 90 90 ALA HB3 H 1 1.57 0.02 . 1 . . . B 366 ALA HB3 . 17776 1 915 . 1 1 90 90 ALA C C 13 179.61 0.05 . 1 . . . B 366 ALA C . 17776 1 916 . 1 1 90 90 ALA CA C 13 55.24 0.05 . 1 . . . B 366 ALA CA . 17776 1 917 . 1 1 90 90 ALA CB C 13 18.42 0.05 . 1 . . . B 366 ALA CB . 17776 1 918 . 1 1 90 90 ALA N N 15 122.99 0.05 . 1 . . . B 366 ALA N . 17776 1 919 . 1 1 91 91 GLU H H 1 8.11 0.02 . 1 . . . B 367 GLU H . 17776 1 920 . 1 1 91 91 GLU HA H 1 4.01 0.02 . 1 . . . B 367 GLU HA . 17776 1 921 . 1 1 91 91 GLU HB2 H 1 2.14 0.02 . 2 . . . B 367 GLU HB2 . 17776 1 922 . 1 1 91 91 GLU HB3 H 1 2.27 0.02 . 2 . . . B 367 GLU HB3 . 17776 1 923 . 1 1 91 91 GLU CA C 13 59.42 0.05 . 1 . . . B 367 GLU CA . 17776 1 924 . 1 1 91 91 GLU CB C 13 29.62 0.05 . 1 . . . B 367 GLU CB . 17776 1 925 . 1 1 91 91 GLU CG C 13 36.41 0.05 . 1 . . . B 367 GLU CG . 17776 1 926 . 1 1 91 91 GLU N N 15 116.92 0.05 . 1 . . . B 367 GLU N . 17776 1 927 . 1 1 92 92 SER H H 1 7.53 0.02 . 1 . . . B 368 SER H . 17776 1 928 . 1 1 92 92 SER HA H 1 4.01 0.02 . 1 . . . B 368 SER HA . 17776 1 929 . 1 1 92 92 SER C C 13 176.36 0.05 . 1 . . . B 368 SER C . 17776 1 930 . 1 1 92 92 SER CA C 13 61.78 0.05 . 1 . . . B 368 SER CA . 17776 1 931 . 1 1 92 92 SER CB C 13 63.08 0.05 . 1 . . . B 368 SER CB . 17776 1 932 . 1 1 92 92 SER N N 15 115.55 0.05 . 1 . . . B 368 SER N . 17776 1 933 . 1 1 93 93 ILE H H 1 8.38 0.02 . 1 . . . B 369 ILE H . 17776 1 934 . 1 1 93 93 ILE HA H 1 3.82 0.02 . 1 . . . B 369 ILE HA . 17776 1 935 . 1 1 93 93 ILE HB H 1 1.83 0.02 . 1 . . . B 369 ILE HB . 17776 1 936 . 1 1 93 93 ILE HG21 H 1 0.65 0.02 . 1 . . . B 369 ILE HG21 . 17776 1 937 . 1 1 93 93 ILE HG22 H 1 0.65 0.02 . 1 . . . B 369 ILE HG22 . 17776 1 938 . 1 1 93 93 ILE HG23 H 1 0.65 0.02 . 1 . . . B 369 ILE HG23 . 17776 1 939 . 1 1 93 93 ILE HD11 H 1 0.60 0.02 . 1 . . . B 369 ILE HD11 . 17776 1 940 . 1 1 93 93 ILE HD12 H 1 0.60 0.02 . 1 . . . B 369 ILE HD12 . 17776 1 941 . 1 1 93 93 ILE HD13 H 1 0.60 0.02 . 1 . . . B 369 ILE HD13 . 17776 1 942 . 1 1 93 93 ILE CA C 13 65.47 0.05 . 1 . . . B 369 ILE CA . 17776 1 943 . 1 1 93 93 ILE CB C 13 38.11 0.05 . 1 . . . B 369 ILE CB . 17776 1 944 . 1 1 93 93 ILE CG1 C 13 29.42 0.05 . 1 . . . B 369 ILE CG1 . 17776 1 945 . 1 1 93 93 ILE CG2 C 13 17.73 0.05 . 1 . . . B 369 ILE CG2 . 17776 1 946 . 1 1 93 93 ILE CD1 C 13 13.12 0.05 . 1 . . . B 369 ILE CD1 . 17776 1 947 . 1 1 93 93 ILE N N 15 121.69 0.05 . 1 . . . B 369 ILE N . 17776 1 948 . 1 1 94 94 ASN H H 1 8.24 0.02 . 1 . . . B 370 ASN H . 17776 1 949 . 1 1 94 94 ASN HA H 1 4.32 0.02 . 1 . . . B 370 ASN HA . 17776 1 950 . 1 1 94 94 ASN HB2 H 1 2.64 0.02 . 2 . . . B 370 ASN HB2 . 17776 1 951 . 1 1 94 94 ASN HB3 H 1 2.84 0.02 . 2 . . . B 370 ASN HB3 . 17776 1 952 . 1 1 94 94 ASN HD21 H 1 7.21 0.02 . 2 . . . B 370 ASN HD21 . 17776 1 953 . 1 1 94 94 ASN HD22 H 1 6.94 0.02 . 2 . . . B 370 ASN HD22 . 17776 1 954 . 1 1 94 94 ASN CA C 13 57.52 0.05 . 1 . . . B 370 ASN CA . 17776 1 955 . 1 1 94 94 ASN CB C 13 38.57 0.05 . 1 . . . B 370 ASN CB . 17776 1 956 . 1 1 94 94 ASN N N 15 117.61 0.05 . 1 . . . B 370 ASN N . 17776 1 957 . 1 1 94 94 ASN ND2 N 15 111.10 0.05 . 1 . . . B 370 ASN ND2 . 17776 1 958 . 1 1 95 95 LYS H H 1 7.93 0.02 . 1 . . . B 371 LYS H . 17776 1 959 . 1 1 95 95 LYS N N 15 121.31 0.05 . 1 . . . B 371 LYS N . 17776 1 960 . 1 1 96 96 ASP C C 13 179.30 0.05 . 1 . . . B 372 ASP C . 17776 1 961 . 1 1 97 97 ILE H H 1 8.69 0.02 . 1 . . . B 373 ILE H . 17776 1 962 . 1 1 97 97 ILE HA H 1 3.63 0.02 . 1 . . . B 373 ILE HA . 17776 1 963 . 1 1 97 97 ILE HB H 1 2.22 0.02 . 1 . . . B 373 ILE HB . 17776 1 964 . 1 1 97 97 ILE HG13 H 1 1.68 0.02 . 2 . . . B 373 ILE HG13 . 17776 1 965 . 1 1 97 97 ILE HG21 H 1 0.83 0.02 . 1 . . . B 373 ILE HG21 . 17776 1 966 . 1 1 97 97 ILE HG22 H 1 0.83 0.02 . 1 . . . B 373 ILE HG22 . 17776 1 967 . 1 1 97 97 ILE HG23 H 1 0.83 0.02 . 1 . . . B 373 ILE HG23 . 17776 1 968 . 1 1 97 97 ILE HD11 H 1 0.80 0.02 . 1 . . . B 373 ILE HD11 . 17776 1 969 . 1 1 97 97 ILE HD12 H 1 0.80 0.02 . 1 . . . B 373 ILE HD12 . 17776 1 970 . 1 1 97 97 ILE HD13 H 1 0.80 0.02 . 1 . . . B 373 ILE HD13 . 17776 1 971 . 1 1 97 97 ILE C C 13 178.33 0.05 . 1 . . . B 373 ILE C . 17776 1 972 . 1 1 97 97 ILE CA C 13 65.05 0.05 . 1 . . . B 373 ILE CA . 17776 1 973 . 1 1 97 97 ILE CB C 13 37.01 0.05 . 1 . . . B 373 ILE CB . 17776 1 974 . 1 1 97 97 ILE CG1 C 13 27.96 0.05 . 1 . . . B 373 ILE CG1 . 17776 1 975 . 1 1 97 97 ILE CG2 C 13 17.70 0.05 . 1 . . . B 373 ILE CG2 . 17776 1 976 . 1 1 97 97 ILE CD1 C 13 13.03 0.05 . 1 . . . B 373 ILE CD1 . 17776 1 977 . 1 1 97 97 ILE N N 15 122.91 0.05 . 1 . . . B 373 ILE N . 17776 1 978 . 1 1 98 98 GLU H H 1 8.03 0.02 . 1 . . . B 374 GLU H . 17776 1 979 . 1 1 98 98 GLU HA H 1 4.12 0.02 . 1 . . . B 374 GLU HA . 17776 1 980 . 1 1 98 98 GLU HB2 H 1 2.21 0.02 . 1 . . . B 374 GLU HB2 . 17776 1 981 . 1 1 98 98 GLU HB3 H 1 2.21 0.02 . 1 . . . B 374 GLU HB3 . 17776 1 982 . 1 1 98 98 GLU HG2 H 1 2.13 0.02 . 1 . . . B 374 GLU HG2 . 17776 1 983 . 1 1 98 98 GLU HG3 H 1 2.13 0.02 . 1 . . . B 374 GLU HG3 . 17776 1 984 . 1 1 98 98 GLU C C 13 179.74 0.05 . 1 . . . B 374 GLU C . 17776 1 985 . 1 1 98 98 GLU CA C 13 59.57 0.05 . 1 . . . B 374 GLU CA . 17776 1 986 . 1 1 98 98 GLU CB C 13 28.91 0.05 . 1 . . . B 374 GLU CB . 17776 1 987 . 1 1 98 98 GLU CG C 13 36.43 0.05 . 1 . . . B 374 GLU CG . 17776 1 988 . 1 1 98 98 GLU N N 15 120.31 0.05 . 1 . . . B 374 GLU N . 17776 1 989 . 1 1 99 99 GLU H H 1 8.05 0.02 . 1 . . . B 375 GLU H . 17776 1 990 . 1 1 99 99 GLU HA H 1 4.14 0.02 . 1 . . . B 375 GLU HA . 17776 1 991 . 1 1 99 99 GLU HB2 H 1 2.04 0.02 . 2 . . . B 375 GLU HB2 . 17776 1 992 . 1 1 99 99 GLU HB3 H 1 2.32 0.02 . 2 . . . B 375 GLU HB3 . 17776 1 993 . 1 1 99 99 GLU HG2 H 1 2.20 0.02 . 2 . . . B 375 GLU HG2 . 17776 1 994 . 1 1 99 99 GLU HG3 H 1 2.27 0.02 . 2 . . . B 375 GLU HG3 . 17776 1 995 . 1 1 99 99 GLU C C 13 178.81 0.05 . 1 . . . B 375 GLU C . 17776 1 996 . 1 1 99 99 GLU CA C 13 59.83 0.05 . 1 . . . B 375 GLU CA . 17776 1 997 . 1 1 99 99 GLU CB C 13 29.22 0.05 . 1 . . . B 375 GLU CB . 17776 1 998 . 1 1 99 99 GLU CG C 13 36.17 0.05 . 1 . . . B 375 GLU CG . 17776 1 999 . 1 1 99 99 GLU N N 15 121.96 0.05 . 1 . . . B 375 GLU N . 17776 1 1000 . 1 1 100 100 CYS H H 1 8.14 0.02 . 1 . . . B 376 CYS H . 17776 1 1001 . 1 1 100 100 CYS HA H 1 3.98 0.02 . 1 . . . B 376 CYS HA . 17776 1 1002 . 1 1 100 100 CYS HB2 H 1 2.50 0.02 . 2 . . . B 376 CYS HB2 . 17776 1 1003 . 1 1 100 100 CYS HB3 H 1 3.33 0.02 . 2 . . . B 376 CYS HB3 . 17776 1 1004 . 1 1 100 100 CYS CA C 13 64.72 0.05 . 1 . . . B 376 CYS CA . 17776 1 1005 . 1 1 100 100 CYS CB C 13 27.12 0.05 . 1 . . . B 376 CYS CB . 17776 1 1006 . 1 1 100 100 CYS N N 15 117.24 0.05 . 1 . . . B 376 CYS N . 17776 1 1007 . 1 1 101 101 ASN H H 1 8.45 0.02 . 1 . . . B 377 ASN H . 17776 1 1008 . 1 1 101 101 ASN HA H 1 4.20 0.02 . 1 . . . B 377 ASN HA . 17776 1 1009 . 1 1 101 101 ASN HB2 H 1 2.78 0.02 . 1 . . . B 377 ASN HB2 . 17776 1 1010 . 1 1 101 101 ASN HB3 H 1 2.78 0.02 . 1 . . . B 377 ASN HB3 . 17776 1 1011 . 1 1 101 101 ASN HD21 H 1 7.23 0.02 . 2 . . . B 377 ASN HD21 . 17776 1 1012 . 1 1 101 101 ASN HD22 H 1 6.44 0.02 . 2 . . . B 377 ASN HD22 . 17776 1 1013 . 1 1 101 101 ASN C C 13 179.75 0.05 . 1 . . . B 377 ASN C . 17776 1 1014 . 1 1 101 101 ASN CA C 13 56.57 0.05 . 1 . . . B 377 ASN CA . 17776 1 1015 . 1 1 101 101 ASN CB C 13 38.42 0.05 . 1 . . . B 377 ASN CB . 17776 1 1016 . 1 1 101 101 ASN N N 15 117.14 0.05 . 1 . . . B 377 ASN N . 17776 1 1017 . 1 1 101 101 ASN ND2 N 15 110.3 0.05 . 1 . . . B 377 ASN ND2 . 17776 1 1018 . 1 1 102 102 ALA H H 1 8.05 0.02 . 1 . . . B 378 ALA H . 17776 1 1019 . 1 1 102 102 ALA HA H 1 4.13 0.02 . 1 . . . B 378 ALA HA . 17776 1 1020 . 1 1 102 102 ALA HB1 H 1 1.56 0.02 . 1 . . . B 378 ALA HB1 . 17776 1 1021 . 1 1 102 102 ALA HB2 H 1 1.56 0.02 . 1 . . . B 378 ALA HB2 . 17776 1 1022 . 1 1 102 102 ALA HB3 H 1 1.56 0.02 . 1 . . . B 378 ALA HB3 . 17776 1 1023 . 1 1 102 102 ALA C C 13 180.51 0.05 . 1 . . . B 378 ALA C . 17776 1 1024 . 1 1 102 102 ALA CA C 13 55.12 0.05 . 1 . . . B 378 ALA CA . 17776 1 1025 . 1 1 102 102 ALA CB C 13 17.96 0.05 . 1 . . . B 378 ALA CB . 17776 1 1026 . 1 1 102 102 ALA N N 15 122.8 0.05 . 1 . . . B 378 ALA N . 17776 1 1027 . 1 1 103 103 ILE H H 1 7.99 0.02 . 1 . . . B 379 ILE H . 17776 1 1028 . 1 1 103 103 ILE HA H 1 3.81 0.02 . 1 . . . B 379 ILE HA . 17776 1 1029 . 1 1 103 103 ILE HB H 1 1.86 0.02 . 1 . . . B 379 ILE HB . 17776 1 1030 . 1 1 103 103 ILE HG21 H 1 0.87 0.02 . 1 . . . B 379 ILE HG21 . 17776 1 1031 . 1 1 103 103 ILE HG22 H 1 0.87 0.02 . 1 . . . B 379 ILE HG22 . 17776 1 1032 . 1 1 103 103 ILE HG23 H 1 0.87 0.02 . 1 . . . B 379 ILE HG23 . 17776 1 1033 . 1 1 103 103 ILE HD11 H 1 0.83 0.02 . 1 . . . B 379 ILE HD11 . 17776 1 1034 . 1 1 103 103 ILE HD12 H 1 0.83 0.02 . 1 . . . B 379 ILE HD12 . 17776 1 1035 . 1 1 103 103 ILE HD13 H 1 0.83 0.02 . 1 . . . B 379 ILE HD13 . 17776 1 1036 . 1 1 103 103 ILE CA C 13 64.56 0.05 . 1 . . . B 379 ILE CA . 17776 1 1037 . 1 1 103 103 ILE CB C 13 38.08 0.05 . 1 . . . B 379 ILE CB . 17776 1 1038 . 1 1 103 103 ILE CG1 C 13 28.81 0.05 . 1 . . . B 379 ILE CG1 . 17776 1 1039 . 1 1 103 103 ILE CG2 C 13 17.77 0.05 . 1 . . . B 379 ILE CG2 . 17776 1 1040 . 1 1 103 103 ILE CD1 C 13 13.87 0.05 . 1 . . . B 379 ILE CD1 . 17776 1 1041 . 1 1 103 103 ILE N N 15 120.32 0.05 . 1 . . . B 379 ILE N . 17776 1 1042 . 1 1 105 105 GLU H H 1 8.08 0.02 . 1 . . . B 381 GLU H . 17776 1 1043 . 1 1 105 105 GLU HA H 1 3.97 0.02 . 1 . . . B 381 GLU HA . 17776 1 1044 . 1 1 105 105 GLU HB2 H 1 2.09 0.02 . 1 . . . B 381 GLU HB2 . 17776 1 1045 . 1 1 105 105 GLU HB3 H 1 2.09 0.02 . 1 . . . B 381 GLU HB3 . 17776 1 1046 . 1 1 105 105 GLU C C 13 178.44 0.05 . 1 . . . B 381 GLU C . 17776 1 1047 . 1 1 105 105 GLU CA C 13 59.26 0.05 . 1 . . . B 381 GLU CA . 17776 1 1048 . 1 1 105 105 GLU CB C 13 29.57 0.05 . 1 . . . B 381 GLU CB . 17776 1 1049 . 1 1 105 105 GLU CG C 13 36.06 0.05 . 1 . . . B 381 GLU CG . 17776 1 1050 . 1 1 105 105 GLU N N 15 118.80 0.05 . 1 . . . B 381 GLU N . 17776 1 1051 . 1 1 106 106 GLN H H 1 7.69 0.02 . 1 . . . B 382 GLN H . 17776 1 1052 . 1 1 106 106 GLN HA H 1 4.05 0.02 . 1 . . . B 382 GLN HA . 17776 1 1053 . 1 1 106 106 GLN HE21 H 1 7.15 0.02 . 2 . . . B 382 GLN HE21 . 17776 1 1054 . 1 1 106 106 GLN HE22 H 1 6.76 0.02 . 2 . . . B 382 GLN HE22 . 17776 1 1055 . 1 1 106 106 GLN C C 13 177.55 0.05 . 1 . . . B 382 GLN C . 17776 1 1056 . 1 1 106 106 GLN CA C 13 58.09 0.05 . 1 . . . B 382 GLN CA . 17776 1 1057 . 1 1 106 106 GLN CB C 13 31.56 0.05 . 1 . . . B 382 GLN CB . 17776 1 1058 . 1 1 106 106 GLN CG C 13 34.19 0.05 . 1 . . . B 382 GLN CG . 17776 1 1059 . 1 1 106 106 GLN N N 15 117.00 0.05 . 1 . . . B 382 GLN N . 17776 1 1060 . 1 1 106 106 GLN NE2 N 15 111.24 0.05 . 1 . . . B 382 GLN NE2 . 17776 1 1061 . 1 1 107 107 PHE H H 1 7.99 0.02 . 1 . . . B 383 PHE H . 17776 1 1062 . 1 1 107 107 PHE HA H 1 4.49 0.02 . 1 . . . B 383 PHE HA . 17776 1 1063 . 1 1 107 107 PHE HB2 H 1 3.23 0.02 . 2 . . . B 383 PHE HB2 . 17776 1 1064 . 1 1 107 107 PHE HB3 H 1 3.28 0.02 . 2 . . . B 383 PHE HB3 . 17776 1 1065 . 1 1 107 107 PHE HD1 H 1 7.22 0.02 . 1 . . . B 383 PHE HD1 . 17776 1 1066 . 1 1 107 107 PHE HD2 H 1 7.22 0.02 . 1 . . . B 383 PHE HD2 . 17776 1 1067 . 1 1 107 107 PHE HE1 H 1 7.12 0.02 . 1 . . . B 383 PHE HE1 . 17776 1 1068 . 1 1 107 107 PHE HE2 H 1 7.12 0.02 . 1 . . . B 383 PHE HE2 . 17776 1 1069 . 1 1 107 107 PHE C C 13 176.57 0.05 . 1 . . . B 383 PHE C . 17776 1 1070 . 1 1 107 107 PHE CA C 13 59.70 0.05 . 1 . . . B 383 PHE CA . 17776 1 1071 . 1 1 107 107 PHE CB C 13 39.31 0.05 . 1 . . . B 383 PHE CB . 17776 1 1072 . 1 1 107 107 PHE N N 15 118.67 0.05 . 1 . . . B 383 PHE N . 17776 1 1073 . 1 1 108 108 ILE H H 1 7.90 0.02 . 1 . . . B 384 ILE H . 17776 1 1074 . 1 1 108 108 ILE HA H 1 3.73 0.02 . 1 . . . B 384 ILE HA . 17776 1 1075 . 1 1 108 108 ILE HD11 H 1 0.86 0.02 . 1 . . . B 384 ILE HD11 . 17776 1 1076 . 1 1 108 108 ILE HD12 H 1 0.86 0.02 . 1 . . . B 384 ILE HD12 . 17776 1 1077 . 1 1 108 108 ILE HD13 H 1 0.86 0.02 . 1 . . . B 384 ILE HD13 . 17776 1 1078 . 1 1 108 108 ILE C C 13 177.45 0.05 . 1 . . . B 384 ILE C . 17776 1 1079 . 1 1 108 108 ILE CA C 13 63.57 0.05 . 1 . . . B 384 ILE CA . 17776 1 1080 . 1 1 108 108 ILE CB C 13 37.63 0.05 . 1 . . . B 384 ILE CB . 17776 1 1081 . 1 1 108 108 ILE CD1 C 13 17.65 0.05 . 1 . . . B 384 ILE CD1 . 17776 1 1082 . 1 1 108 108 ILE N N 15 117.45 0.05 . 1 . . . B 384 ILE N . 17776 1 1083 . 1 1 109 109 ASP H H 1 7.73 0.02 . 1 . . . B 385 ASP H . 17776 1 1084 . 1 1 109 109 ASP HA H 1 4.45 0.02 . 1 . . . B 385 ASP HA . 17776 1 1085 . 1 1 109 109 ASP HB2 H 1 2.57 0.02 . 2 . . . B 385 ASP HB2 . 17776 1 1086 . 1 1 109 109 ASP HB3 H 1 2.65 0.02 . 2 . . . B 385 ASP HB3 . 17776 1 1087 . 1 1 109 109 ASP C C 13 177.69 0.05 . 1 . . . B 385 ASP C . 17776 1 1088 . 1 1 109 109 ASP CA C 13 56.37 0.05 . 1 . . . B 385 ASP CA . 17776 1 1089 . 1 1 109 109 ASP CB C 13 41.00 0.05 . 1 . . . B 385 ASP CB . 17776 1 1090 . 1 1 109 109 ASP N N 15 119.22 0.05 . 1 . . . B 385 ASP N . 17776 1 1091 . 1 1 110 110 TYR H H 1 7.73 0.02 . 1 . . . B 386 TYR H . 17776 1 1092 . 1 1 110 110 TYR HA H 1 4.48 0.02 . 1 . . . B 386 TYR HA . 17776 1 1093 . 1 1 110 110 TYR HB2 H 1 3.00 0.02 . 2 . . . B 386 TYR HB2 . 17776 1 1094 . 1 1 110 110 TYR HB3 H 1 3.11 0.02 . 2 . . . B 386 TYR HB3 . 17776 1 1095 . 1 1 110 110 TYR C C 13 176.32 0.05 . 1 . . . B 386 TYR C . 17776 1 1096 . 1 1 110 110 TYR CA C 13 58.65 0.05 . 1 . . . B 386 TYR CA . 17776 1 1097 . 1 1 110 110 TYR CB C 13 38.66 0.05 . 1 . . . B 386 TYR CB . 17776 1 1098 . 1 1 110 110 TYR N N 15 117.91 0.05 . 1 . . . B 386 TYR N . 17776 1 1099 . 1 1 111 111 LEU H H 1 7.60 0.02 . 1 . . . B 387 LEU H . 17776 1 1100 . 1 1 111 111 LEU HA H 1 4.21 0.02 . 1 . . . B 387 LEU HA . 17776 1 1101 . 1 1 111 111 LEU HB2 H 1 1.59 0.02 . 2 . . . B 387 LEU HB2 . 17776 1 1102 . 1 1 111 111 LEU HB3 H 1 1.65 0.02 . 2 . . . B 387 LEU HB3 . 17776 1 1103 . 1 1 111 111 LEU C C 13 175.90 0.05 . 1 . . . B 387 LEU C . 17776 1 1104 . 1 1 111 111 LEU CA C 13 55.24 0.05 . 1 . . . B 387 LEU CA . 17776 1 1105 . 1 1 111 111 LEU CB C 13 42.10 0.05 . 1 . . . B 387 LEU CB . 17776 1 1106 . 1 1 111 111 LEU N N 15 120.38 0.05 . 1 . . . B 387 LEU N . 17776 1 1107 . 1 1 112 112 ARG H H 1 7.45 0.02 . 1 . . . B 388 ARG H . 17776 1 1108 . 1 1 112 112 ARG HA H 1 4.15 0.02 . 1 . . . B 388 ARG HA . 17776 1 1109 . 1 1 112 112 ARG HB2 H 1 1.77 0.02 . 1 . . . B 388 ARG HB2 . 17776 1 1110 . 1 1 112 112 ARG HB3 H 1 1.77 0.02 . 1 . . . B 388 ARG HB3 . 17776 1 1111 . 1 1 112 112 ARG CA C 13 58.14 0.05 . 1 . . . B 388 ARG CA . 17776 1 1112 . 1 1 112 112 ARG CB C 13 27.13 0.05 . 1 . . . B 388 ARG CB . 17776 1 1113 . 1 1 112 112 ARG CG C 13 24.68 0.05 . 1 . . . B 388 ARG CG . 17776 1 1114 . 1 1 112 112 ARG CD C 13 41.79 0.05 . 1 . . . B 388 ARG CD . 17776 1 1115 . 1 1 112 112 ARG N N 15 126.56 0.05 . 1 . . . B 388 ARG N . 17776 1 stop_ save_