data_17006 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17006 _Entry.Title ; Solution structure of alpha-mannosidase binding domain of Atg19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-18 _Entry.Accession_date 2010-06-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Yasunori Watanabe . . . 17006 2 'Nobuo N' Noda . . . 17006 3 Hiroyuki Kumeta . . . 17006 4 Kuninori Suzuki . . . 17006 5 Yoshinori Ohsumi . . . 17006 6 Fuyuhiko Inagaki . . . 17006 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 . 'not applicable' 'not applicable' . 17006 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha-mannosidase . 17006 Atg19 . 17006 'Selective autophagy' . 17006 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17006 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 491 17006 '15N chemical shifts' 118 17006 '1H chemical shifts' 808 17006 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 . . 2010-09-23 2010-06-18 update BMRB 'update entry citation' 17006 1 . . 2010-08-12 2010-06-18 original author 'original release' 17006 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17007 'Alpha-mannosidase binding domain of Atg34' 17006 PDB 2KZB 'BMRB Entry Tracking System' 17006 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17006 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20659891 _Citation.Full_citation . _Citation.Title 'Selective Transport of {alpha}-Mannosidase by Autophagic Pathways: STRUCTURAL BASIS FOR CARGO RECOGNITION BY Atg19 AND Atg34.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 39 _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 30026 _Citation.Page_last 30033 _Citation.Year 2010 _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 Yasunori Watanabe . . . 17006 1 2 Nobuo Noda . N. . 17006 1 3 Hiroyuki Kumeta . . . 17006 1 4 Kuninori Suzuki . . . 17006 1 5 Yoshinori Ohsumi . . . 17006 1 6 Fuyuhiko Inagaki . . . 17006 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17006 _Assembly.ID 1 _Assembly.Name Atg19 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Atg19 1 $Atg19 A . yes native no no . . . 17006 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atg19 _Entity.Sf_category entity _Entity.Sf_framecode Atg19 _Entity.Entry_ID 17006 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atg19 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMVEPPNERSLQITMNQR DNSLYFQLFNNTNSVLAGNC KLKFTDAGDKPTTQIIDMGP HEIGIKEYKEYRYFPYALDL EAGSTIEIENQYGEVIFLGK YGSSPMINLRPPSRLSAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12965.639 _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 PDB 2KZB . "Solution Structure Of Alpha-mannosidase Binding Domain Of Atg19" . . . . . 100.00 118 100.00 100.00 5.30e-81 . . . . 17006 1 2 no DBJ GAA26246 . "K7_Atg19p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.61 415 100.00 100.00 7.59e-75 . . . . 17006 1 3 no EMBL CAA53201 . "YOL01 [Saccharomyces cerevisiae]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 4 no EMBL CAA58199 . "orf 00980 [Saccharomyces cerevisiae]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 5 no EMBL CAA99094 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 6 no EMBL CAY86211 . "Atg19p [Saccharomyces cerevisiae EC1118]" . . . . . 96.61 415 100.00 100.00 1.03e-74 . . . . 17006 1 7 no GB AAT93193 . "YOL082W [Saccharomyces cerevisiae]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 8 no GB AHY77232 . "Atg19p [Saccharomyces cerevisiae YJM993]" . . . . . 96.61 415 100.00 100.00 1.03e-74 . . . . 17006 1 9 no GB AJP41464 . "Atg19p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.61 415 100.00 100.00 1.03e-74 . . . . 17006 1 10 no GB AJT70883 . "Atg19p [Saccharomyces cerevisiae YJM189]" . . . . . 96.61 415 100.00 100.00 9.02e-75 . . . . 17006 1 11 no GB AJT71374 . "Atg19p [Saccharomyces cerevisiae YJM193]" . . . . . 96.61 415 100.00 100.00 1.02e-74 . . . . 17006 1 12 no REF NP_014559 . "Atg19p [Saccharomyces cerevisiae S288c]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 13 no SP A6ZNC8 . "RecName: Full=Autophagy-related protein 19; AltName: Full=Cytoplasm-to-vacuole targeting protein 19" . . . . . 96.61 415 99.12 100.00 2.95e-74 . . . . 17006 1 14 no SP P35193 . "RecName: Full=Autophagy-related protein 19; AltName: Full=Cytoplasm-to-vacuole targeting protein 19" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 1 15 no TPG DAA10702 . "TPA: Atg19p [Saccharomyces cerevisiae S288c]" . . . . . 96.61 415 100.00 100.00 7.76e-75 . . . . 17006 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 1 248 GLY . 17006 1 2 249 PRO . 17006 1 3 250 HIS . 17006 1 4 251 MET . 17006 1 5 252 VAL . 17006 1 6 253 GLU . 17006 1 7 254 PRO . 17006 1 8 255 PRO . 17006 1 9 256 ASN . 17006 1 10 257 GLU . 17006 1 11 258 ARG . 17006 1 12 259 SER . 17006 1 13 260 LEU . 17006 1 14 261 GLN . 17006 1 15 262 ILE . 17006 1 16 263 THR . 17006 1 17 264 MET . 17006 1 18 265 ASN . 17006 1 19 266 GLN . 17006 1 20 267 ARG . 17006 1 21 268 ASP . 17006 1 22 269 ASN . 17006 1 23 270 SER . 17006 1 24 271 LEU . 17006 1 25 272 TYR . 17006 1 26 273 PHE . 17006 1 27 274 GLN . 17006 1 28 275 LEU . 17006 1 29 276 PHE . 17006 1 30 277 ASN . 17006 1 31 278 ASN . 17006 1 32 279 THR . 17006 1 33 280 ASN . 17006 1 34 281 SER . 17006 1 35 282 VAL . 17006 1 36 283 LEU . 17006 1 37 284 ALA . 17006 1 38 285 GLY . 17006 1 39 286 ASN . 17006 1 40 287 CYS . 17006 1 41 288 LYS . 17006 1 42 289 LEU . 17006 1 43 290 LYS . 17006 1 44 291 PHE . 17006 1 45 292 THR . 17006 1 46 293 ASP . 17006 1 47 294 ALA . 17006 1 48 295 GLY . 17006 1 49 296 ASP . 17006 1 50 297 LYS . 17006 1 51 298 PRO . 17006 1 52 299 THR . 17006 1 53 300 THR . 17006 1 54 301 GLN . 17006 1 55 302 ILE . 17006 1 56 303 ILE . 17006 1 57 304 ASP . 17006 1 58 305 MET . 17006 1 59 306 GLY . 17006 1 60 307 PRO . 17006 1 61 308 HIS . 17006 1 62 309 GLU . 17006 1 63 310 ILE . 17006 1 64 311 GLY . 17006 1 65 312 ILE . 17006 1 66 313 LYS . 17006 1 67 314 GLU . 17006 1 68 315 TYR . 17006 1 69 316 LYS . 17006 1 70 317 GLU . 17006 1 71 318 TYR . 17006 1 72 319 ARG . 17006 1 73 320 TYR . 17006 1 74 321 PHE . 17006 1 75 322 PRO . 17006 1 76 323 TYR . 17006 1 77 324 ALA . 17006 1 78 325 LEU . 17006 1 79 326 ASP . 17006 1 80 327 LEU . 17006 1 81 328 GLU . 17006 1 82 329 ALA . 17006 1 83 330 GLY . 17006 1 84 331 SER . 17006 1 85 332 THR . 17006 1 86 333 ILE . 17006 1 87 334 GLU . 17006 1 88 335 ILE . 17006 1 89 336 GLU . 17006 1 90 337 ASN . 17006 1 91 338 GLN . 17006 1 92 339 TYR . 17006 1 93 340 GLY . 17006 1 94 341 GLU . 17006 1 95 342 VAL . 17006 1 96 343 ILE . 17006 1 97 344 PHE . 17006 1 98 345 LEU . 17006 1 99 346 GLY . 17006 1 100 347 LYS . 17006 1 101 348 TYR . 17006 1 102 349 GLY . 17006 1 103 350 SER . 17006 1 104 351 SER . 17006 1 105 352 PRO . 17006 1 106 353 MET . 17006 1 107 354 ILE . 17006 1 108 355 ASN . 17006 1 109 356 LEU . 17006 1 110 357 ARG . 17006 1 111 358 PRO . 17006 1 112 359 PRO . 17006 1 113 360 SER . 17006 1 114 361 ARG . 17006 1 115 362 LEU . 17006 1 116 363 SER . 17006 1 117 364 ALA . 17006 1 118 365 GLU . 17006 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17006 1 . PRO 2 2 17006 1 . HIS 3 3 17006 1 . MET 4 4 17006 1 . VAL 5 5 17006 1 . GLU 6 6 17006 1 . PRO 7 7 17006 1 . PRO 8 8 17006 1 . ASN 9 9 17006 1 . GLU 10 10 17006 1 . ARG 11 11 17006 1 . SER 12 12 17006 1 . LEU 13 13 17006 1 . GLN 14 14 17006 1 . ILE 15 15 17006 1 . THR 16 16 17006 1 . MET 17 17 17006 1 . ASN 18 18 17006 1 . GLN 19 19 17006 1 . ARG 20 20 17006 1 . ASP 21 21 17006 1 . ASN 22 22 17006 1 . SER 23 23 17006 1 . LEU 24 24 17006 1 . TYR 25 25 17006 1 . PHE 26 26 17006 1 . GLN 27 27 17006 1 . LEU 28 28 17006 1 . PHE 29 29 17006 1 . ASN 30 30 17006 1 . ASN 31 31 17006 1 . THR 32 32 17006 1 . ASN 33 33 17006 1 . SER 34 34 17006 1 . VAL 35 35 17006 1 . LEU 36 36 17006 1 . ALA 37 37 17006 1 . GLY 38 38 17006 1 . ASN 39 39 17006 1 . CYS 40 40 17006 1 . LYS 41 41 17006 1 . LEU 42 42 17006 1 . LYS 43 43 17006 1 . PHE 44 44 17006 1 . THR 45 45 17006 1 . ASP 46 46 17006 1 . ALA 47 47 17006 1 . GLY 48 48 17006 1 . ASP 49 49 17006 1 . LYS 50 50 17006 1 . PRO 51 51 17006 1 . THR 52 52 17006 1 . THR 53 53 17006 1 . GLN 54 54 17006 1 . ILE 55 55 17006 1 . ILE 56 56 17006 1 . ASP 57 57 17006 1 . MET 58 58 17006 1 . GLY 59 59 17006 1 . PRO 60 60 17006 1 . HIS 61 61 17006 1 . GLU 62 62 17006 1 . ILE 63 63 17006 1 . GLY 64 64 17006 1 . ILE 65 65 17006 1 . LYS 66 66 17006 1 . GLU 67 67 17006 1 . TYR 68 68 17006 1 . LYS 69 69 17006 1 . GLU 70 70 17006 1 . TYR 71 71 17006 1 . ARG 72 72 17006 1 . TYR 73 73 17006 1 . PHE 74 74 17006 1 . PRO 75 75 17006 1 . TYR 76 76 17006 1 . ALA 77 77 17006 1 . LEU 78 78 17006 1 . ASP 79 79 17006 1 . LEU 80 80 17006 1 . GLU 81 81 17006 1 . ALA 82 82 17006 1 . GLY 83 83 17006 1 . SER 84 84 17006 1 . THR 85 85 17006 1 . ILE 86 86 17006 1 . GLU 87 87 17006 1 . ILE 88 88 17006 1 . GLU 89 89 17006 1 . ASN 90 90 17006 1 . GLN 91 91 17006 1 . TYR 92 92 17006 1 . GLY 93 93 17006 1 . GLU 94 94 17006 1 . VAL 95 95 17006 1 . ILE 96 96 17006 1 . PHE 97 97 17006 1 . LEU 98 98 17006 1 . GLY 99 99 17006 1 . LYS 100 100 17006 1 . TYR 101 101 17006 1 . GLY 102 102 17006 1 . SER 103 103 17006 1 . SER 104 104 17006 1 . PRO 105 105 17006 1 . MET 106 106 17006 1 . ILE 107 107 17006 1 . ASN 108 108 17006 1 . LEU 109 109 17006 1 . ARG 110 110 17006 1 . PRO 111 111 17006 1 . PRO 112 112 17006 1 . SER 113 113 17006 1 . ARG 114 114 17006 1 . LEU 115 115 17006 1 . SER 116 116 17006 1 . ALA 117 117 17006 1 . GLU 118 118 17006 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 17006 _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 $Atg19 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17006 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 17006 _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 $Atg19 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 17006 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17006 _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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17006 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17006 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17006 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17006 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17006 1 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 17006 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 17006 1 pressure 1 . atm 17006 1 temperature 298 . K 17006 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17006 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17006 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17006 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17006 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17006 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17006 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17006 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17006 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17006 3 'peak picking' 17006 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17006 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17006 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17006 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17006 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17006 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17006 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17006 1 2 spectrometer_2 Varian INOVA . 800 . . . 17006 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 17006 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 7 '3D HN(CO)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17006 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 1 13 '2D (Hb)Cb(CgCd)Hd' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 1 14 '2D (Hb)Cb(CgCdCe)He' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17006 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 17006 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17006 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17006 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17006 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 17006 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17006 1 2 '3D HNCO' . . . 17006 1 3 '3D HNCA' . . . 17006 1 4 '3D HN(CO)CA' . . . 17006 1 5 '3D CBCA(CO)NH' . . . 17006 1 6 '3D HNCACB' . . . 17006 1 8 '3D HBHA(CO)NH' . . . 17006 1 9 '2D 1H-13C HSQC' . . . 17006 1 10 '3D HCCH-TOCSY' . . . 17006 1 11 '3D 1H-13C NOESY' . . . 17006 1 12 '3D 1H-15N NOESY' . . . 17006 1 13 '2D (Hb)Cb(CgCd)Hd' . . . 17006 1 14 '2D (Hb)Cb(CgCdCe)He' . . . 17006 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 VAL H H 1 8.185 0.000 . 1 . . . . 254 V HN . 17006 1 2 . 1 1 5 5 VAL HA H 1 4.095 0.000 . 1 . . . . 254 V HA . 17006 1 3 . 1 1 5 5 VAL HB H 1 2.018 0.000 . 1 . . . . 254 V HB . 17006 1 4 . 1 1 5 5 VAL C C 13 175.679 0.000 . 1 . . . . 254 V C . 17006 1 5 . 1 1 5 5 VAL CA C 13 62.061 0.000 . 1 . . . . 254 V CA . 17006 1 6 . 1 1 5 5 VAL CB C 13 32.907 0.000 . 1 . . . . 254 V CB . 17006 1 7 . 1 1 5 5 VAL N N 15 121.812 0.000 . 1 . . . . 254 V N . 17006 1 8 . 1 1 6 6 GLU H H 1 8.488 0.000 . 1 . . . . 255 E HN . 17006 1 9 . 1 1 6 6 GLU HA H 1 4.583 0.000 . 1 . . . . 255 E HA . 17006 1 10 . 1 1 6 6 GLU HB2 H 1 1.885 0.000 . 2 . . . . 255 E HB2 . 17006 1 11 . 1 1 6 6 GLU HB3 H 1 2.010 0.000 . 2 . . . . 255 E HB3 . 17006 1 12 . 1 1 6 6 GLU HG2 H 1 2.276 0.000 . 2 . . . . 255 E HG2 . 17006 1 13 . 1 1 6 6 GLU HG3 H 1 2.302 0.000 . 2 . . . . 255 E HG3 . 17006 1 14 . 1 1 6 6 GLU CA C 13 54.212 0.000 . 1 . . . . 255 E CA . 17006 1 15 . 1 1 6 6 GLU CB C 13 29.839 0.000 . 1 . . . . 255 E CB . 17006 1 16 . 1 1 6 6 GLU CG C 13 35.998 0.002 . 1 . . . . 255 E CG . 17006 1 17 . 1 1 6 6 GLU N N 15 126.375 0.000 . 1 . . . . 255 E N . 17006 1 18 . 1 1 7 7 PRO HA H 1 4.678 0.000 . 1 . . . . 256 P HA . 17006 1 19 . 1 1 7 7 PRO HB2 H 1 1.923 0.000 . 2 . . . . 256 P HB2 . 17006 1 20 . 1 1 7 7 PRO HB3 H 1 2.350 0.000 . 2 . . . . 256 P HB3 . 17006 1 21 . 1 1 7 7 PRO HD2 H 1 3.654 0.000 . 2 . . . . 256 P HD2 . 17006 1 22 . 1 1 7 7 PRO HD3 H 1 3.825 0.000 . 2 . . . . 256 P HD3 . 17006 1 23 . 1 1 7 7 PRO HG2 H 1 2.011 0.000 . 2 . . . . 256 P HG2 . 17006 1 24 . 1 1 7 7 PRO HG3 H 1 2.070 0.000 . 2 . . . . 256 P HG3 . 17006 1 25 . 1 1 7 7 PRO CA C 13 61.498 0.000 . 1 . . . . 256 P CA . 17006 1 26 . 1 1 7 7 PRO CB C 13 30.906 0.002 . 1 . . . . 256 P CB . 17006 1 27 . 1 1 7 7 PRO CD C 13 50.428 0.007 . 1 . . . . 256 P CD . 17006 1 28 . 1 1 7 7 PRO CG C 13 27.453 0.000 . 1 . . . . 256 P CG . 17006 1 29 . 1 1 8 8 PRO HA H 1 4.411 0.000 . 1 . . . . 257 P HA . 17006 1 30 . 1 1 8 8 PRO HB2 H 1 1.931 0.000 . 2 . . . . 257 P HB2 . 17006 1 31 . 1 1 8 8 PRO HB3 H 1 2.310 0.000 . 2 . . . . 257 P HB3 . 17006 1 32 . 1 1 8 8 PRO HD2 H 1 3.668 0.000 . 2 . . . . 257 P HD2 . 17006 1 33 . 1 1 8 8 PRO HD3 H 1 3.850 0.000 . 2 . . . . 257 P HD3 . 17006 1 34 . 1 1 8 8 PRO HG2 H 1 2.020 0.000 . 2 . . . . 257 P HG2 . 17006 1 35 . 1 1 8 8 PRO HG3 H 1 2.056 0.000 . 2 . . . . 257 P HG3 . 17006 1 36 . 1 1 8 8 PRO C C 13 176.794 0.000 . 1 . . . . 257 P C . 17006 1 37 . 1 1 8 8 PRO CA C 13 63.279 0.000 . 1 . . . . 257 P CA . 17006 1 38 . 1 1 8 8 PRO CB C 13 31.986 0.009 . 1 . . . . 257 P CB . 17006 1 39 . 1 1 8 8 PRO CD C 13 50.617 0.002 . 1 . . . . 257 P CD . 17006 1 40 . 1 1 8 8 PRO CG C 13 27.412 0.005 . 1 . . . . 257 P CG . 17006 1 41 . 1 1 9 9 ASN H H 1 8.510 0.000 . 1 . . . . 258 N HN . 17006 1 42 . 1 1 9 9 ASN HA H 1 4.671 0.000 . 1 . . . . 258 N HA . 17006 1 43 . 1 1 9 9 ASN HB2 H 1 2.793 0.000 . 2 . . . . 258 N HB2 . 17006 1 44 . 1 1 9 9 ASN HB3 H 1 2.820 0.000 . 2 . . . . 258 N HB3 . 17006 1 45 . 1 1 9 9 ASN HD21 H 1 6.957 0.002 . 2 . . . . 258 N HD21 . 17006 1 46 . 1 1 9 9 ASN HD22 H 1 7.640 0.000 . 2 . . . . 258 N HD22 . 17006 1 47 . 1 1 9 9 ASN C C 13 175.143 0.000 . 1 . . . . 258 N C . 17006 1 48 . 1 1 9 9 ASN CA C 13 53.306 0.000 . 1 . . . . 258 N CA . 17006 1 49 . 1 1 9 9 ASN CB C 13 38.867 0.000 . 1 . . . . 258 N CB . 17006 1 50 . 1 1 9 9 ASN CG C 13 177.013 0.010 . 1 . . . . 258 N CG . 17006 1 51 . 1 1 9 9 ASN N N 15 118.277 0.000 . 1 . . . . 258 N N . 17006 1 52 . 1 1 9 9 ASN ND2 N 15 112.625 0.020 . 1 . . . . 258 N ND2 . 17006 1 53 . 1 1 10 10 GLU H H 1 8.300 0.000 . 1 . . . . 259 E HN . 17006 1 54 . 1 1 10 10 GLU HA H 1 4.302 0.000 . 1 . . . . 259 E HA . 17006 1 55 . 1 1 10 10 GLU HB2 H 1 1.940 0.000 . 2 . . . . 259 E HB2 . 17006 1 56 . 1 1 10 10 GLU HB3 H 1 2.064 0.000 . 2 . . . . 259 E HB3 . 17006 1 57 . 1 1 10 10 GLU HG2 H 1 2.223 0.000 . 2 . . . . 259 E HG2 . 17006 1 58 . 1 1 10 10 GLU HG3 H 1 2.245 0.000 . 2 . . . . 259 E HG3 . 17006 1 59 . 1 1 10 10 GLU C C 13 176.377 0.000 . 1 . . . . 259 E C . 17006 1 60 . 1 1 10 10 GLU CA C 13 56.625 0.000 . 1 . . . . 259 E CA . 17006 1 61 . 1 1 10 10 GLU CB C 13 30.455 0.008 . 1 . . . . 259 E CB . 17006 1 62 . 1 1 10 10 GLU CG C 13 36.225 0.004 . 1 . . . . 259 E CG . 17006 1 63 . 1 1 10 10 GLU N N 15 121.205 0.000 . 1 . . . . 259 E N . 17006 1 64 . 1 1 11 11 ARG H H 1 8.395 0.000 . 1 . . . . 260 R HN . 17006 1 65 . 1 1 11 11 ARG HA H 1 4.586 0.000 . 1 . . . . 260 R HA . 17006 1 66 . 1 1 11 11 ARG HB2 H 1 1.860 0.000 . 2 . . . . 260 R HB2 . 17006 1 67 . 1 1 11 11 ARG HB3 H 1 1.916 0.000 . 2 . . . . 260 R HB3 . 17006 1 68 . 1 1 11 11 ARG HD2 H 1 3.161 0.000 . 2 . . . . 260 R HD2 . 17006 1 69 . 1 1 11 11 ARG HD3 H 1 3.246 0.000 . 2 . . . . 260 R HD3 . 17006 1 70 . 1 1 11 11 ARG HG2 H 1 1.626 0.000 . 2 . . . . 260 R HG2 . 17006 1 71 . 1 1 11 11 ARG HG3 H 1 1.730 0.000 . 2 . . . . 260 R HG3 . 17006 1 72 . 1 1 11 11 ARG C C 13 175.411 0.000 . 1 . . . . 260 R C . 17006 1 73 . 1 1 11 11 ARG CA C 13 55.270 0.000 . 1 . . . . 260 R CA . 17006 1 74 . 1 1 11 11 ARG CB C 13 29.298 0.002 . 1 . . . . 260 R CB . 17006 1 75 . 1 1 11 11 ARG CD C 13 42.948 0.001 . 1 . . . . 260 R CD . 17006 1 76 . 1 1 11 11 ARG CG C 13 26.881 0.008 . 1 . . . . 260 R CG . 17006 1 77 . 1 1 11 11 ARG N N 15 122.999 0.000 . 1 . . . . 260 R N . 17006 1 78 . 1 1 12 12 SER H H 1 7.742 0.000 . 1 . . . . 261 S HN . 17006 1 79 . 1 1 12 12 SER HA H 1 4.845 0.000 . 1 . . . . 261 S HA . 17006 1 80 . 1 1 12 12 SER HB2 H 1 3.860 0.000 . 2 . . . . 261 S QB . 17006 1 81 . 1 1 12 12 SER HB3 H 1 3.860 0.000 . 2 . . . . 261 S QB . 17006 1 82 . 1 1 12 12 SER C C 13 172.755 0.000 . 1 . . . . 261 S C . 17006 1 83 . 1 1 12 12 SER CA C 13 57.074 0.000 . 1 . . . . 261 S CA . 17006 1 84 . 1 1 12 12 SER CB C 13 65.469 0.000 . 1 . . . . 261 S CB . 17006 1 85 . 1 1 12 12 SER N N 15 115.742 0.000 . 1 . . . . 261 S N . 17006 1 86 . 1 1 13 13 LEU H H 1 7.889 0.000 . 1 . . . . 262 L HN . 17006 1 87 . 1 1 13 13 LEU HA H 1 4.543 0.000 . 1 . . . . 262 L HA . 17006 1 88 . 1 1 13 13 LEU HB2 H 1 0.668 0.000 . 2 . . . . 262 L HB2 . 17006 1 89 . 1 1 13 13 LEU HB3 H 1 1.228 0.000 . 2 . . . . 262 L HB3 . 17006 1 90 . 1 1 13 13 LEU HD11 H 1 0.272 0.000 . . . . . . 262 L QD1 . 17006 1 91 . 1 1 13 13 LEU HD12 H 1 0.272 0.000 . . . . . . 262 L QD1 . 17006 1 92 . 1 1 13 13 LEU HD13 H 1 0.272 0.000 . . . . . . 262 L QD1 . 17006 1 93 . 1 1 13 13 LEU HD21 H 1 0.435 0.000 . . . . . . 262 L QD2 . 17006 1 94 . 1 1 13 13 LEU HD22 H 1 0.435 0.000 . . . . . . 262 L QD2 . 17006 1 95 . 1 1 13 13 LEU HD23 H 1 0.435 0.000 . . . . . . 262 L QD2 . 17006 1 96 . 1 1 13 13 LEU HG H 1 0.938 0.000 . 1 . . . . 262 L HG . 17006 1 97 . 1 1 13 13 LEU C C 13 174.884 0.000 . 1 . . . . 262 L C . 17006 1 98 . 1 1 13 13 LEU CA C 13 54.074 0.000 . 1 . . . . 262 L CA . 17006 1 99 . 1 1 13 13 LEU CB C 13 42.617 0.002 . 1 . . . . 262 L CB . 17006 1 100 . 1 1 13 13 LEU CD1 C 13 25.495 0.000 . 2 . . . . 262 L CD1 . 17006 1 101 . 1 1 13 13 LEU CD2 C 13 24.619 0.000 . 2 . . . . 262 L CD2 . 17006 1 102 . 1 1 13 13 LEU CG C 13 26.795 0.000 . 1 . . . . 262 L CG . 17006 1 103 . 1 1 13 13 LEU N N 15 120.542 0.000 . 1 . . . . 262 L N . 17006 1 104 . 1 1 14 14 GLN H H 1 8.316 0.000 . 1 . . . . 263 Q HN . 17006 1 105 . 1 1 14 14 GLN HA H 1 5.210 0.000 . 1 . . . . 263 Q HA . 17006 1 106 . 1 1 14 14 GLN HB2 H 1 2.195 0.000 . 2 . . . . 263 Q HB2 . 17006 1 107 . 1 1 14 14 GLN HB3 H 1 2.276 0.000 . 2 . . . . 263 Q HB3 . 17006 1 108 . 1 1 14 14 GLN HE21 H 1 6.861 0.001 . 2 . . . . 263 Q HE21 . 17006 1 109 . 1 1 14 14 GLN HE22 H 1 7.534 0.001 . 2 . . . . 263 Q HE22 . 17006 1 110 . 1 1 14 14 GLN HG2 H 1 2.426 0.000 . 2 . . . . 263 Q HG2 . 17006 1 111 . 1 1 14 14 GLN HG3 H 1 2.463 0.000 . 2 . . . . 263 Q HG3 . 17006 1 112 . 1 1 14 14 GLN C C 13 175.413 0.000 . 1 . . . . 263 Q C . 17006 1 113 . 1 1 14 14 GLN CA C 13 55.148 0.000 . 1 . . . . 263 Q CA . 17006 1 114 . 1 1 14 14 GLN CB C 13 31.697 0.009 . 1 . . . . 263 Q CB . 17006 1 115 . 1 1 14 14 GLN CD C 13 180.155 0.010 . 1 . . . . 263 Q CD . 17006 1 116 . 1 1 14 14 GLN CG C 13 34.424 0.002 . 1 . . . . 263 Q CG . 17006 1 117 . 1 1 14 14 GLN N N 15 124.905 0.000 . 1 . . . . 263 Q N . 17006 1 118 . 1 1 14 14 GLN NE2 N 15 110.400 0.003 . 1 . . . . 263 Q NE2 . 17006 1 119 . 1 1 15 15 ILE H H 1 9.167 0.000 . 1 . . . . 264 I HN . 17006 1 120 . 1 1 15 15 ILE HA H 1 5.528 0.000 . 1 . . . . 264 I HA . 17006 1 121 . 1 1 15 15 ILE HB H 1 1.698 0.000 . 1 . . . . 264 I HB . 17006 1 122 . 1 1 15 15 ILE HD11 H 1 0.784 0.000 . . . . . . 264 I QD1 . 17006 1 123 . 1 1 15 15 ILE HD12 H 1 0.784 0.000 . . . . . . 264 I QD1 . 17006 1 124 . 1 1 15 15 ILE HD13 H 1 0.784 0.000 . . . . . . 264 I QD1 . 17006 1 125 . 1 1 15 15 ILE HG12 H 1 1.170 0.000 . 2 . . . . 264 I HG12 . 17006 1 126 . 1 1 15 15 ILE HG13 H 1 1.565 0.000 . 2 . . . . 264 I HG13 . 17006 1 127 . 1 1 15 15 ILE HG21 H 1 0.968 0.000 . . . . . . 264 I QG2 . 17006 1 128 . 1 1 15 15 ILE HG22 H 1 0.968 0.000 . . . . . . 264 I QG2 . 17006 1 129 . 1 1 15 15 ILE HG23 H 1 0.968 0.000 . . . . . . 264 I QG2 . 17006 1 130 . 1 1 15 15 ILE C C 13 174.304 0.000 . 1 . . . . 264 I C . 17006 1 131 . 1 1 15 15 ILE CA C 13 58.850 0.000 . 1 . . . . 264 I CA . 17006 1 132 . 1 1 15 15 ILE CB C 13 41.763 0.000 . 1 . . . . 264 I CB . 17006 1 133 . 1 1 15 15 ILE CD1 C 13 14.209 0.000 . 1 . . . . 264 I CD1 . 17006 1 134 . 1 1 15 15 ILE CG1 C 13 28.474 0.001 . 1 . . . . 264 I CG1 . 17006 1 135 . 1 1 15 15 ILE CG2 C 13 17.868 0.000 . 1 . . . . 264 I CG2 . 17006 1 136 . 1 1 15 15 ILE N N 15 124.063 0.000 . 1 . . . . 264 I N . 17006 1 137 . 1 1 16 16 THR H H 1 9.035 0.000 . 1 . . . . 265 T HN . 17006 1 138 . 1 1 16 16 THR HA H 1 5.266 0.000 . 1 . . . . 265 T HA . 17006 1 139 . 1 1 16 16 THR HB H 1 4.126 0.000 . 1 . . . . 265 T HB . 17006 1 140 . 1 1 16 16 THR HG21 H 1 1.155 0.000 . . . . . . 265 T QG2 . 17006 1 141 . 1 1 16 16 THR HG22 H 1 1.155 0.000 . . . . . . 265 T QG2 . 17006 1 142 . 1 1 16 16 THR HG23 H 1 1.155 0.000 . . . . . . 265 T QG2 . 17006 1 143 . 1 1 16 16 THR C C 13 174.164 0.000 . 1 . . . . 265 T C . 17006 1 144 . 1 1 16 16 THR CA C 13 61.156 0.000 . 1 . . . . 265 T CA . 17006 1 145 . 1 1 16 16 THR CB C 13 70.360 0.000 . 1 . . . . 265 T CB . 17006 1 146 . 1 1 16 16 THR CG2 C 13 21.503 0.000 . 1 . . . . 265 T CG2 . 17006 1 147 . 1 1 16 16 THR N N 15 121.824 0.000 . 1 . . . . 265 T N . 17006 1 148 . 1 1 17 17 MET H H 1 9.023 0.000 . 1 . . . . 266 M HN . 17006 1 149 . 1 1 17 17 MET HA H 1 5.305 0.000 . 1 . . . . 266 M HA . 17006 1 150 . 1 1 17 17 MET HB2 H 1 1.638 0.000 . 2 . . . . 266 M HB2 . 17006 1 151 . 1 1 17 17 MET HB3 H 1 1.688 0.000 . 2 . . . . 266 M HB3 . 17006 1 152 . 1 1 17 17 MET HE1 H 1 1.281 0.000 . . . . . . 266 M QE . 17006 1 153 . 1 1 17 17 MET HE2 H 1 1.281 0.000 . . . . . . 266 M QE . 17006 1 154 . 1 1 17 17 MET HE3 H 1 1.281 0.000 . . . . . . 266 M QE . 17006 1 155 . 1 1 17 17 MET HG2 H 1 1.975 0.000 . 2 . . . . 266 M HG2 . 17006 1 156 . 1 1 17 17 MET HG3 H 1 1.993 0.000 . 2 . . . . 266 M HG3 . 17006 1 157 . 1 1 17 17 MET C C 13 174.778 0.000 . 1 . . . . 266 M C . 17006 1 158 . 1 1 17 17 MET CA C 13 54.072 0.000 . 1 . . . . 266 M CA . 17006 1 159 . 1 1 17 17 MET CB C 13 35.741 0.000 . 1 . . . . 266 M CB . 17006 1 160 . 1 1 17 17 MET CE C 13 16.620 0.000 . 1 . . . . 266 M CE . 17006 1 161 . 1 1 17 17 MET CG C 13 31.389 0.004 . 1 . . . . 266 M CG . 17006 1 162 . 1 1 17 17 MET N N 15 126.143 0.000 . 1 . . . . 266 M N . 17006 1 163 . 1 1 18 18 ASN H H 1 8.464 0.000 . 1 . . . . 267 N HN . 17006 1 164 . 1 1 18 18 ASN HA H 1 4.731 0.000 . 1 . . . . 267 N HA . 17006 1 165 . 1 1 18 18 ASN HB2 H 1 2.495 0.000 . 2 . . . . 267 N HB2 . 17006 1 166 . 1 1 18 18 ASN HB3 H 1 2.558 0.000 . 2 . . . . 267 N HB3 . 17006 1 167 . 1 1 18 18 ASN HD21 H 1 6.640 0.001 . 2 . . . . 267 N HD21 . 17006 1 168 . 1 1 18 18 ASN HD22 H 1 7.542 0.001 . 2 . . . . 267 N HD22 . 17006 1 169 . 1 1 18 18 ASN C C 13 171.981 0.000 . 1 . . . . 267 N C . 17006 1 170 . 1 1 18 18 ASN CA C 13 53.283 0.000 . 1 . . . . 267 N CA . 17006 1 171 . 1 1 18 18 ASN CB C 13 43.069 0.002 . 1 . . . . 267 N CB . 17006 1 172 . 1 1 18 18 ASN CG C 13 176.085 0.016 . 1 . . . . 267 N CG . 17006 1 173 . 1 1 18 18 ASN N N 15 118.639 0.000 . 1 . . . . 267 N N . 17006 1 174 . 1 1 18 18 ASN ND2 N 15 111.667 0.001 . 1 . . . . 267 N ND2 . 17006 1 175 . 1 1 19 19 GLN H H 1 8.932 0.000 . 1 . . . . 268 Q HN . 17006 1 176 . 1 1 19 19 GLN HA H 1 5.253 0.000 . 1 . . . . 268 Q HA . 17006 1 177 . 1 1 19 19 GLN HB2 H 1 1.677 0.000 . 2 . . . . 268 Q HB2 . 17006 1 178 . 1 1 19 19 GLN HB3 H 1 2.303 0.000 . 2 . . . . 268 Q HB3 . 17006 1 179 . 1 1 19 19 GLN HE21 H 1 7.108 0.001 . 2 . . . . 268 Q HE21 . 17006 1 180 . 1 1 19 19 GLN HE22 H 1 7.279 0.000 . 2 . . . . 268 Q HE22 . 17006 1 181 . 1 1 19 19 GLN HG2 H 1 2.403 0.000 . 2 . . . . 268 Q HG2 . 17006 1 182 . 1 1 19 19 GLN HG3 H 1 2.522 0.000 . 2 . . . . 268 Q HG3 . 17006 1 183 . 1 1 19 19 GLN C C 13 174.744 0.000 . 1 . . . . 268 Q C . 17006 1 184 . 1 1 19 19 GLN CA C 13 55.193 0.000 . 1 . . . . 268 Q CA . 17006 1 185 . 1 1 19 19 GLN CB C 13 30.223 0.001 . 1 . . . . 268 Q CB . 17006 1 186 . 1 1 19 19 GLN CD C 13 179.536 0.005 . 1 . . . . 268 Q CD . 17006 1 187 . 1 1 19 19 GLN CG C 13 34.192 0.002 . 1 . . . . 268 Q CG . 17006 1 188 . 1 1 19 19 GLN N N 15 125.806 0.000 . 1 . . . . 268 Q N . 17006 1 189 . 1 1 19 19 GLN NE2 N 15 110.216 0.000 . 1 . . . . 268 Q NE2 . 17006 1 190 . 1 1 20 20 ARG H H 1 8.584 0.000 . 1 . . . . 269 R HN . 17006 1 191 . 1 1 20 20 ARG HA H 1 4.532 0.000 . 1 . . . . 269 R HA . 17006 1 192 . 1 1 20 20 ARG HB2 H 1 1.685 0.000 . 2 . . . . 269 R HB2 . 17006 1 193 . 1 1 20 20 ARG HB3 H 1 1.986 0.000 . 2 . . . . 269 R HB3 . 17006 1 194 . 1 1 20 20 ARG HD2 H 1 2.965 0.000 . 2 . . . . 269 R HD2 . 17006 1 195 . 1 1 20 20 ARG HD3 H 1 3.004 0.000 . 2 . . . . 269 R HD3 . 17006 1 196 . 1 1 20 20 ARG HG2 H 1 1.460 0.000 . 2 . . . . 269 R HG2 . 17006 1 197 . 1 1 20 20 ARG HG3 H 1 1.498 0.000 . 2 . . . . 269 R HG3 . 17006 1 198 . 1 1 20 20 ARG C C 13 175.115 0.000 . 1 . . . . 269 R C . 17006 1 199 . 1 1 20 20 ARG CA C 13 55.715 0.000 . 1 . . . . 269 R CA . 17006 1 200 . 1 1 20 20 ARG CB C 13 32.109 0.003 . 1 . . . . 269 R CB . 17006 1 201 . 1 1 20 20 ARG CD C 13 43.302 0.004 . 1 . . . . 269 R CD . 17006 1 202 . 1 1 20 20 ARG CG C 13 26.609 0.002 . 1 . . . . 269 R CG . 17006 1 203 . 1 1 20 20 ARG N N 15 122.599 0.000 . 1 . . . . 269 R N . 17006 1 204 . 1 1 21 21 ASP H H 1 9.372 0.000 . 1 . . . . 270 D HN . 17006 1 205 . 1 1 21 21 ASP HA H 1 4.328 0.000 . 1 . . . . 270 D HA . 17006 1 206 . 1 1 21 21 ASP HB2 H 1 2.790 0.000 . 2 . . . . 270 D HB2 . 17006 1 207 . 1 1 21 21 ASP HB3 H 1 2.905 0.000 . 2 . . . . 270 D HB3 . 17006 1 208 . 1 1 21 21 ASP CA C 13 55.857 0.000 . 1 . . . . 270 D CA . 17006 1 209 . 1 1 21 21 ASP CB C 13 39.727 0.003 . 1 . . . . 270 D CB . 17006 1 210 . 1 1 21 21 ASP N N 15 122.455 0.000 . 1 . . . . 270 D N . 17006 1 211 . 1 1 22 22 ASN H H 1 9.048 0.000 . 1 . . . . 271 N HN . 17006 1 212 . 1 1 22 22 ASN HA H 1 4.517 0.000 . 1 . . . . 271 N HA . 17006 1 213 . 1 1 22 22 ASN HB2 H 1 2.876 0.000 . 2 . . . . 271 N HB2 . 17006 1 214 . 1 1 22 22 ASN HB3 H 1 3.194 0.000 . 2 . . . . 271 N HB3 . 17006 1 215 . 1 1 22 22 ASN HD21 H 1 6.741 0.001 . 2 . . . . 271 N HD21 . 17006 1 216 . 1 1 22 22 ASN HD22 H 1 7.397 0.000 . 2 . . . . 271 N HD22 . 17006 1 217 . 1 1 22 22 ASN C C 13 174.526 0.000 . 1 . . . . 271 N C . 17006 1 218 . 1 1 22 22 ASN CA C 13 54.282 0.000 . 1 . . . . 271 N CA . 17006 1 219 . 1 1 22 22 ASN CB C 13 38.576 0.003 . 1 . . . . 271 N CB . 17006 1 220 . 1 1 22 22 ASN CG C 13 178.170 0.006 . 1 . . . . 271 N CG . 17006 1 221 . 1 1 22 22 ASN N N 15 115.325 0.000 . 1 . . . . 271 N N . 17006 1 222 . 1 1 22 22 ASN ND2 N 15 110.667 0.002 . 1 . . . . 271 N ND2 . 17006 1 223 . 1 1 23 23 SER H H 1 8.188 0.000 . 1 . . . . 272 S HN . 17006 1 224 . 1 1 23 23 SER HA H 1 5.399 0.000 . 1 . . . . 272 S HA . 17006 1 225 . 1 1 23 23 SER HB2 H 1 3.428 0.000 . 2 . . . . 272 S HB2 . 17006 1 226 . 1 1 23 23 SER HB3 H 1 3.879 0.000 . 2 . . . . 272 S HB3 . 17006 1 227 . 1 1 23 23 SER C C 13 171.594 0.000 . 1 . . . . 272 S C . 17006 1 228 . 1 1 23 23 SER CA C 13 57.933 0.000 . 1 . . . . 272 S CA . 17006 1 229 . 1 1 23 23 SER CB C 13 67.007 0.002 . 1 . . . . 272 S CB . 17006 1 230 . 1 1 23 23 SER N N 15 112.665 0.000 . 1 . . . . 272 S N . 17006 1 231 . 1 1 24 24 LEU H H 1 8.988 0.000 . 1 . . . . 273 L HN . 17006 1 232 . 1 1 24 24 LEU HA H 1 4.754 0.000 . 1 . . . . 273 L HA . 17006 1 233 . 1 1 24 24 LEU HB2 H 1 1.133 0.000 . 2 . . . . 273 L HB2 . 17006 1 234 . 1 1 24 24 LEU HB3 H 1 1.163 0.000 . 2 . . . . 273 L HB3 . 17006 1 235 . 1 1 24 24 LEU HD11 H 1 0.077 0.000 . . . . . . 273 L QD1 . 17006 1 236 . 1 1 24 24 LEU HD12 H 1 0.077 0.000 . . . . . . 273 L QD1 . 17006 1 237 . 1 1 24 24 LEU HD13 H 1 0.077 0.000 . . . . . . 273 L QD1 . 17006 1 238 . 1 1 24 24 LEU HD21 H 1 -0.053 0.000 . . . . . . 273 L QD2 . 17006 1 239 . 1 1 24 24 LEU HD22 H 1 -0.053 0.000 . . . . . . 273 L QD2 . 17006 1 240 . 1 1 24 24 LEU HD23 H 1 -0.053 0.000 . . . . . . 273 L QD2 . 17006 1 241 . 1 1 24 24 LEU HG H 1 0.757 0.000 . 1 . . . . 273 L HG . 17006 1 242 . 1 1 24 24 LEU C C 13 174.364 0.000 . 1 . . . . 273 L C . 17006 1 243 . 1 1 24 24 LEU CA C 13 53.643 0.000 . 1 . . . . 273 L CA . 17006 1 244 . 1 1 24 24 LEU CB C 13 45.351 0.004 . 1 . . . . 273 L CB . 17006 1 245 . 1 1 24 24 LEU CD1 C 13 23.776 0.000 . 2 . . . . 273 L CD1 . 17006 1 246 . 1 1 24 24 LEU CD2 C 13 24.924 0.000 . 2 . . . . 273 L CD2 . 17006 1 247 . 1 1 24 24 LEU CG C 13 26.410 0.000 . 1 . . . . 273 L CG . 17006 1 248 . 1 1 24 24 LEU N N 15 123.364 0.000 . 1 . . . . 273 L N . 17006 1 249 . 1 1 25 25 TYR H H 1 8.833 0.000 . 1 . . . . 274 Y HN . 17006 1 250 . 1 1 25 25 TYR HA H 1 5.036 0.000 . 1 . . . . 274 Y HA . 17006 1 251 . 1 1 25 25 TYR HB2 H 1 2.818 0.000 . 2 . . . . 274 Y HB2 . 17006 1 252 . 1 1 25 25 TYR HB3 H 1 2.875 0.000 . 2 . . . . 274 Y HB3 . 17006 1 253 . 1 1 25 25 TYR HD1 H 1 6.980 0.000 . 3 . . . . 274 Y QD . 17006 1 254 . 1 1 25 25 TYR HD2 H 1 6.980 0.000 . 3 . . . . 274 Y QD . 17006 1 255 . 1 1 25 25 TYR HE1 H 1 6.740 0.003 . 3 . . . . 274 Y QE . 17006 1 256 . 1 1 25 25 TYR HE2 H 1 6.740 0.003 . 3 . . . . 274 Y QE . 17006 1 257 . 1 1 25 25 TYR C C 13 174.865 0.000 . 1 . . . . 274 Y C . 17006 1 258 . 1 1 25 25 TYR CA C 13 57.456 0.000 . 1 . . . . 274 Y CA . 17006 1 259 . 1 1 25 25 TYR CB C 13 40.560 0.052 . 1 . . . . 274 Y CB . 17006 1 260 . 1 1 25 25 TYR CD1 C 13 133.120 0.000 . 3 . . . . 274 Y CD1 . 17006 1 261 . 1 1 25 25 TYR CE1 C 13 118.246 0.000 . 3 . . . . 274 Y CE1 . 17006 1 262 . 1 1 25 25 TYR N N 15 122.436 0.000 . 1 . . . . 274 Y N . 17006 1 263 . 1 1 26 26 PHE H H 1 9.117 0.000 . 1 . . . . 275 F HN . 17006 1 264 . 1 1 26 26 PHE HA H 1 5.102 0.000 . 1 . . . . 275 F HA . 17006 1 265 . 1 1 26 26 PHE HB2 H 1 2.689 0.000 . 2 . . . . 275 F HB2 . 17006 1 266 . 1 1 26 26 PHE HB3 H 1 2.987 0.000 . 2 . . . . 275 F HB3 . 17006 1 267 . 1 1 26 26 PHE HD1 H 1 6.847 0.003 . 3 . . . . 275 F QD . 17006 1 268 . 1 1 26 26 PHE HD2 H 1 6.847 0.003 . 3 . . . . 275 F QD . 17006 1 269 . 1 1 26 26 PHE HE1 H 1 6.681 0.003 . 3 . . . . 275 F QE . 17006 1 270 . 1 1 26 26 PHE HE2 H 1 6.681 0.003 . 3 . . . . 275 F QE . 17006 1 271 . 1 1 26 26 PHE HZ H 1 5.994 0.000 . 1 . . . . 275 F HZ . 17006 1 272 . 1 1 26 26 PHE C C 13 174.931 0.000 . 1 . . . . 275 F C . 17006 1 273 . 1 1 26 26 PHE CA C 13 55.923 0.000 . 1 . . . . 275 F CA . 17006 1 274 . 1 1 26 26 PHE CB C 13 41.819 0.025 . 1 . . . . 275 F CB . 17006 1 275 . 1 1 26 26 PHE CD1 C 13 131.525 0.000 . 3 . . . . 275 F CD1 . 17006 1 276 . 1 1 26 26 PHE CE1 C 13 130.515 0.000 . 3 . . . . 275 F CE1 . 17006 1 277 . 1 1 26 26 PHE CZ C 13 128.806 0.000 . 1 . . . . 275 F CZ . 17006 1 278 . 1 1 26 26 PHE N N 15 118.578 0.000 . 1 . . . . 275 F N . 17006 1 279 . 1 1 27 27 GLN H H 1 9.205 0.000 . 1 . . . . 276 Q HN . 17006 1 280 . 1 1 27 27 GLN HA H 1 5.069 0.000 . 1 . . . . 276 Q HA . 17006 1 281 . 1 1 27 27 GLN HB2 H 1 2.205 0.000 . 2 . . . . 276 Q HB2 . 17006 1 282 . 1 1 27 27 GLN HB3 H 1 2.232 0.000 . 2 . . . . 276 Q HB3 . 17006 1 283 . 1 1 27 27 GLN HE21 H 1 6.669 0.003 . 2 . . . . 276 Q HE21 . 17006 1 284 . 1 1 27 27 GLN HE22 H 1 7.601 0.000 . 2 . . . . 276 Q HE22 . 17006 1 285 . 1 1 27 27 GLN HG2 H 1 2.222 0.000 . 2 . . . . 276 Q HG2 . 17006 1 286 . 1 1 27 27 GLN HG3 H 1 2.283 0.000 . 2 . . . . 276 Q HG3 . 17006 1 287 . 1 1 27 27 GLN C C 13 174.219 0.000 . 1 . . . . 276 Q C . 17006 1 288 . 1 1 27 27 GLN CA C 13 55.027 0.000 . 1 . . . . 276 Q CA . 17006 1 289 . 1 1 27 27 GLN CB C 13 30.302 0.002 . 1 . . . . 276 Q CB . 17006 1 290 . 1 1 27 27 GLN CD C 13 179.803 0.017 . 1 . . . . 276 Q CD . 17006 1 291 . 1 1 27 27 GLN CG C 13 34.658 0.001 . 1 . . . . 276 Q CG . 17006 1 292 . 1 1 27 27 GLN N N 15 122.508 0.000 . 1 . . . . 276 Q N . 17006 1 293 . 1 1 27 27 GLN NE2 N 15 111.362 0.004 . 1 . . . . 276 Q NE2 . 17006 1 294 . 1 1 28 28 LEU H H 1 9.592 0.000 . 1 . . . . 277 L HN . 17006 1 295 . 1 1 28 28 LEU HA H 1 5.152 0.000 . 1 . . . . 277 L HA . 17006 1 296 . 1 1 28 28 LEU HB2 H 1 1.553 0.000 . 2 . . . . 277 L HB2 . 17006 1 297 . 1 1 28 28 LEU HB3 H 1 1.853 0.000 . 2 . . . . 277 L HB3 . 17006 1 298 . 1 1 28 28 LEU HD11 H 1 0.788 0.000 . . . . . . 277 L QD1 . 17006 1 299 . 1 1 28 28 LEU HD12 H 1 0.788 0.000 . . . . . . 277 L QD1 . 17006 1 300 . 1 1 28 28 LEU HD13 H 1 0.788 0.000 . . . . . . 277 L QD1 . 17006 1 301 . 1 1 28 28 LEU HD21 H 1 0.852 0.000 . . . . . . 277 L QD2 . 17006 1 302 . 1 1 28 28 LEU HD22 H 1 0.852 0.000 . . . . . . 277 L QD2 . 17006 1 303 . 1 1 28 28 LEU HD23 H 1 0.852 0.000 . . . . . . 277 L QD2 . 17006 1 304 . 1 1 28 28 LEU HG H 1 1.528 0.000 . 1 . . . . 277 L HG . 17006 1 305 . 1 1 28 28 LEU C C 13 174.143 0.000 . 1 . . . . 277 L C . 17006 1 306 . 1 1 28 28 LEU CA C 13 54.970 0.000 . 1 . . . . 277 L CA . 17006 1 307 . 1 1 28 28 LEU CB C 13 45.267 0.004 . 1 . . . . 277 L CB . 17006 1 308 . 1 1 28 28 LEU CD1 C 13 25.953 0.000 . 2 . . . . 277 L CD1 . 17006 1 309 . 1 1 28 28 LEU CD2 C 13 26.488 0.000 . 2 . . . . 277 L CD2 . 17006 1 310 . 1 1 28 28 LEU CG C 13 28.377 0.000 . 1 . . . . 277 L CG . 17006 1 311 . 1 1 28 28 LEU N N 15 131.094 0.000 . 1 . . . . 277 L N . 17006 1 312 . 1 1 29 29 PHE H H 1 9.338 0.000 . 1 . . . . 278 F HN . 17006 1 313 . 1 1 29 29 PHE HA H 1 5.210 0.000 . 1 . . . . 278 F HA . 17006 1 314 . 1 1 29 29 PHE HB2 H 1 2.958 0.000 . 2 . . . . 278 F QB . 17006 1 315 . 1 1 29 29 PHE HB3 H 1 2.958 0.000 . 2 . . . . 278 F QB . 17006 1 316 . 1 1 29 29 PHE HD1 H 1 6.518 0.004 . 3 . . . . 278 F QD . 17006 1 317 . 1 1 29 29 PHE HD2 H 1 6.518 0.004 . 3 . . . . 278 F QD . 17006 1 318 . 1 1 29 29 PHE HE1 H 1 6.982 0.002 . 3 . . . . 278 F QE . 17006 1 319 . 1 1 29 29 PHE HE2 H 1 6.982 0.002 . 3 . . . . 278 F QE . 17006 1 320 . 1 1 29 29 PHE HZ H 1 7.033 0.000 . 1 . . . . 278 F HZ . 17006 1 321 . 1 1 29 29 PHE C C 13 175.197 0.000 . 1 . . . . 278 F C . 17006 1 322 . 1 1 29 29 PHE CA C 13 54.940 0.000 . 1 . . . . 278 F CA . 17006 1 323 . 1 1 29 29 PHE CB C 13 42.028 0.018 . 1 . . . . 278 F CB . 17006 1 324 . 1 1 29 29 PHE CD1 C 13 131.342 0.000 . 3 . . . . 278 F CD1 . 17006 1 325 . 1 1 29 29 PHE CE1 C 13 130.584 0.000 . 3 . . . . 278 F CE1 . 17006 1 326 . 1 1 29 29 PHE CZ C 13 129.051 0.000 . 1 . . . . 278 F CZ . 17006 1 327 . 1 1 29 29 PHE N N 15 124.231 0.000 . 1 . . . . 278 F N . 17006 1 328 . 1 1 30 30 ASN H H 1 8.092 0.000 . 1 . . . . 279 N HN . 17006 1 329 . 1 1 30 30 ASN HA H 1 4.673 0.000 . 1 . . . . 279 N HA . 17006 1 330 . 1 1 30 30 ASN HB2 H 1 2.084 0.000 . 2 . . . . 279 N HB2 . 17006 1 331 . 1 1 30 30 ASN HB3 H 1 3.446 0.000 . 2 . . . . 279 N HB3 . 17006 1 332 . 1 1 30 30 ASN HD21 H 1 6.425 0.000 . 2 . . . . 279 N HD21 . 17006 1 333 . 1 1 30 30 ASN HD22 H 1 8.002 0.000 . 2 . . . . 279 N HD22 . 17006 1 334 . 1 1 30 30 ASN C C 13 173.280 0.000 . 1 . . . . 279 N C . 17006 1 335 . 1 1 30 30 ASN CA C 13 51.607 0.000 . 1 . . . . 279 N CA . 17006 1 336 . 1 1 30 30 ASN CB C 13 36.516 0.001 . 1 . . . . 279 N CB . 17006 1 337 . 1 1 30 30 ASN N N 15 122.980 0.000 . 1 . . . . 279 N N . 17006 1 338 . 1 1 30 30 ASN ND2 N 15 110.909 0.001 . 1 . . . . 279 N ND2 . 17006 1 339 . 1 1 31 31 ASN H H 1 7.509 0.000 . 1 . . . . 280 N HN . 17006 1 340 . 1 1 31 31 ASN HA H 1 5.007 0.000 . 1 . . . . 280 N HA . 17006 1 341 . 1 1 31 31 ASN HB2 H 1 2.028 0.000 . 2 . . . . 280 N HB2 . 17006 1 342 . 1 1 31 31 ASN HB3 H 1 3.243 0.000 . 2 . . . . 280 N HB3 . 17006 1 343 . 1 1 31 31 ASN HD21 H 1 6.912 0.001 . 2 . . . . 280 N HD21 . 17006 1 344 . 1 1 31 31 ASN HD22 H 1 7.495 0.002 . 2 . . . . 280 N HD22 . 17006 1 345 . 1 1 31 31 ASN C C 13 175.999 0.000 . 1 . . . . 280 N C . 17006 1 346 . 1 1 31 31 ASN CA C 13 51.151 0.000 . 1 . . . . 280 N CA . 17006 1 347 . 1 1 31 31 ASN CB C 13 38.758 0.103 . 1 . . . . 280 N CB . 17006 1 348 . 1 1 31 31 ASN CG C 13 177.298 0.007 . 1 . . . . 280 N CG . 17006 1 349 . 1 1 31 31 ASN N N 15 126.735 0.000 . 1 . . . . 280 N N . 17006 1 350 . 1 1 31 31 ASN ND2 N 15 110.623 0.000 . 1 . . . . 280 N ND2 . 17006 1 351 . 1 1 32 32 THR H H 1 7.271 0.000 . 1 . . . . 281 T HN . 17006 1 352 . 1 1 32 32 THR HA H 1 4.329 0.000 . 1 . . . . 281 T HA . 17006 1 353 . 1 1 32 32 THR HB H 1 4.501 0.000 . 1 . . . . 281 T HB . 17006 1 354 . 1 1 32 32 THR HG21 H 1 1.096 0.000 . . . . . . 281 T QG2 . 17006 1 355 . 1 1 32 32 THR HG22 H 1 1.096 0.000 . . . . . . 281 T QG2 . 17006 1 356 . 1 1 32 32 THR HG23 H 1 1.096 0.000 . . . . . . 281 T QG2 . 17006 1 357 . 1 1 32 32 THR CA C 13 61.620 0.000 . 1 . . . . 281 T CA . 17006 1 358 . 1 1 32 32 THR CB C 13 70.347 0.000 . 1 . . . . 281 T CB . 17006 1 359 . 1 1 32 32 THR CG2 C 13 21.758 0.000 . 1 . . . . 281 T CG2 . 17006 1 360 . 1 1 32 32 THR N N 15 107.514 0.000 . 1 . . . . 281 T N . 17006 1 361 . 1 1 33 33 ASN HA H 1 4.771 0.000 . 1 . . . . 282 N HA . 17006 1 362 . 1 1 33 33 ASN HB2 H 1 2.741 0.000 . 2 . . . . 282 N HB2 . 17006 1 363 . 1 1 33 33 ASN HB3 H 1 3.025 0.000 . 2 . . . . 282 N HB3 . 17006 1 364 . 1 1 33 33 ASN HD21 H 1 6.862 0.000 . 2 . . . . 282 N HD21 . 17006 1 365 . 1 1 33 33 ASN HD22 H 1 7.591 0.001 . 2 . . . . 282 N HD22 . 17006 1 366 . 1 1 33 33 ASN C C 13 174.632 0.000 . 1 . . . . 282 N C . 17006 1 367 . 1 1 33 33 ASN CA C 13 52.934 0.000 . 1 . . . . 282 N CA . 17006 1 368 . 1 1 33 33 ASN CB C 13 39.059 0.001 . 1 . . . . 282 N CB . 17006 1 369 . 1 1 33 33 ASN CG C 13 177.789 0.009 . 1 . . . . 282 N CG . 17006 1 370 . 1 1 33 33 ASN ND2 N 15 111.747 0.001 . 1 . . . . 282 N ND2 . 17006 1 371 . 1 1 34 34 SER H H 1 8.309 0.000 . 1 . . . . 283 S HN . 17006 1 372 . 1 1 34 34 SER HA H 1 4.773 0.000 . 1 . . . . 283 S HA . 17006 1 373 . 1 1 34 34 SER HB2 H 1 3.707 0.000 . 2 . . . . 283 S HB2 . 17006 1 374 . 1 1 34 34 SER HB3 H 1 3.798 0.000 . 2 . . . . 283 S HB3 . 17006 1 375 . 1 1 34 34 SER C C 13 172.309 0.000 . 1 . . . . 283 S C . 17006 1 376 . 1 1 34 34 SER CA C 13 57.084 0.000 . 1 . . . . 283 S CA . 17006 1 377 . 1 1 34 34 SER CB C 13 66.216 0.001 . 1 . . . . 283 S CB . 17006 1 378 . 1 1 34 34 SER N N 15 114.141 0.000 . 1 . . . . 283 S N . 17006 1 379 . 1 1 35 35 VAL H H 1 8.411 0.000 . 1 . . . . 284 V HN . 17006 1 380 . 1 1 35 35 VAL HA H 1 3.759 0.000 . 1 . . . . 284 V HA . 17006 1 381 . 1 1 35 35 VAL HB H 1 1.872 0.000 . 1 . . . . 284 V HB . 17006 1 382 . 1 1 35 35 VAL HG11 H 1 0.798 0.000 . . . . . . 284 V QG1 . 17006 1 383 . 1 1 35 35 VAL HG12 H 1 0.798 0.000 . . . . . . 284 V QG1 . 17006 1 384 . 1 1 35 35 VAL HG13 H 1 0.798 0.000 . . . . . . 284 V QG1 . 17006 1 385 . 1 1 35 35 VAL HG21 H 1 0.932 0.000 . . . . . . 284 V QG2 . 17006 1 386 . 1 1 35 35 VAL HG22 H 1 0.932 0.000 . . . . . . 284 V QG2 . 17006 1 387 . 1 1 35 35 VAL HG23 H 1 0.932 0.000 . . . . . . 284 V QG2 . 17006 1 388 . 1 1 35 35 VAL C C 13 176.359 0.000 . 1 . . . . 284 V C . 17006 1 389 . 1 1 35 35 VAL CA C 13 63.058 0.000 . 1 . . . . 284 V CA . 17006 1 390 . 1 1 35 35 VAL CB C 13 32.512 0.000 . 1 . . . . 284 V CB . 17006 1 391 . 1 1 35 35 VAL CG1 C 13 21.414 0.000 . 2 . . . . 284 V CG1 . 17006 1 392 . 1 1 35 35 VAL CG2 C 13 21.240 0.000 . 2 . . . . 284 V CG2 . 17006 1 393 . 1 1 35 35 VAL N N 15 121.891 0.000 . 1 . . . . 284 V N . 17006 1 394 . 1 1 36 36 LEU H H 1 8.616 0.000 . 1 . . . . 285 L HN . 17006 1 395 . 1 1 36 36 LEU HA H 1 4.515 0.000 . 1 . . . . 285 L HA . 17006 1 396 . 1 1 36 36 LEU HB2 H 1 1.383 0.000 . 2 . . . . 285 L HB2 . 17006 1 397 . 1 1 36 36 LEU HB3 H 1 1.731 0.000 . 2 . . . . 285 L HB3 . 17006 1 398 . 1 1 36 36 LEU HD11 H 1 0.803 0.000 . . . . . . 285 L QD1 . 17006 1 399 . 1 1 36 36 LEU HD12 H 1 0.803 0.000 . . . . . . 285 L QD1 . 17006 1 400 . 1 1 36 36 LEU HD13 H 1 0.803 0.000 . . . . . . 285 L QD1 . 17006 1 401 . 1 1 36 36 LEU HD21 H 1 0.852 0.000 . . . . . . 285 L QD2 . 17006 1 402 . 1 1 36 36 LEU HD22 H 1 0.852 0.000 . . . . . . 285 L QD2 . 17006 1 403 . 1 1 36 36 LEU HD23 H 1 0.852 0.000 . . . . . . 285 L QD2 . 17006 1 404 . 1 1 36 36 LEU HG H 1 1.808 0.000 . 1 . . . . 285 L HG . 17006 1 405 . 1 1 36 36 LEU C C 13 175.069 0.000 . 1 . . . . 285 L C . 17006 1 406 . 1 1 36 36 LEU CA C 13 54.237 0.000 . 1 . . . . 285 L CA . 17006 1 407 . 1 1 36 36 LEU CB C 13 42.918 0.001 . 1 . . . . 285 L CB . 17006 1 408 . 1 1 36 36 LEU CD1 C 13 25.554 0.000 . 2 . . . . 285 L CD1 . 17006 1 409 . 1 1 36 36 LEU CD2 C 13 25.076 0.000 . 2 . . . . 285 L CD2 . 17006 1 410 . 1 1 36 36 LEU CG C 13 27.501 0.000 . 1 . . . . 285 L CG . 17006 1 411 . 1 1 36 36 LEU N N 15 129.394 0.000 . 1 . . . . 285 L N . 17006 1 412 . 1 1 37 37 ALA H H 1 8.117 0.000 . 1 . . . . 286 A HN . 17006 1 413 . 1 1 37 37 ALA HA H 1 4.134 0.000 . 1 . . . . 286 A HA . 17006 1 414 . 1 1 37 37 ALA HB1 H 1 1.441 0.000 . . . . . . 286 A QB . 17006 1 415 . 1 1 37 37 ALA HB2 H 1 1.441 0.000 . . . . . . 286 A QB . 17006 1 416 . 1 1 37 37 ALA HB3 H 1 1.441 0.000 . . . . . . 286 A QB . 17006 1 417 . 1 1 37 37 ALA C C 13 176.920 0.000 . 1 . . . . 286 A C . 17006 1 418 . 1 1 37 37 ALA CA C 13 52.294 0.000 . 1 . . . . 286 A CA . 17006 1 419 . 1 1 37 37 ALA CB C 13 19.970 0.000 . 1 . . . . 286 A CB . 17006 1 420 . 1 1 37 37 ALA N N 15 125.806 0.000 . 1 . . . . 286 A N . 17006 1 421 . 1 1 38 38 GLY H H 1 8.255 0.000 . 1 . . . . 287 G HN . 17006 1 422 . 1 1 38 38 GLY HA2 H 1 3.351 0.000 . . . . . . 287 G HA1 . 17006 1 423 . 1 1 38 38 GLY HA3 H 1 3.951 0.000 . 2 . . . . 287 G HA2 . 17006 1 424 . 1 1 38 38 GLY C C 13 173.280 0.000 . 1 . . . . 287 G C . 17006 1 425 . 1 1 38 38 GLY CA C 13 44.487 0.002 . 1 . . . . 287 G CA . 17006 1 426 . 1 1 38 38 GLY N N 15 103.050 0.000 . 1 . . . . 287 G N . 17006 1 427 . 1 1 39 39 ASN H H 1 8.644 0.000 . 1 . . . . 288 N HN . 17006 1 428 . 1 1 39 39 ASN HA H 1 4.097 0.000 . 1 . . . . 288 N HA . 17006 1 429 . 1 1 39 39 ASN HB2 H 1 2.842 0.000 . 2 . . . . 288 N HB2 . 17006 1 430 . 1 1 39 39 ASN HB3 H 1 2.923 0.000 . 2 . . . . 288 N HB3 . 17006 1 431 . 1 1 39 39 ASN HD21 H 1 6.841 0.001 . 2 . . . . 288 N HD21 . 17006 1 432 . 1 1 39 39 ASN HD22 H 1 7.212 0.001 . 2 . . . . 288 N HD22 . 17006 1 433 . 1 1 39 39 ASN C C 13 175.158 0.000 . 1 . . . . 288 N C . 17006 1 434 . 1 1 39 39 ASN CA C 13 54.770 0.000 . 1 . . . . 288 N CA . 17006 1 435 . 1 1 39 39 ASN CB C 13 36.752 0.001 . 1 . . . . 288 N CB . 17006 1 436 . 1 1 39 39 ASN CG C 13 178.635 0.006 . 1 . . . . 288 N CG . 17006 1 437 . 1 1 39 39 ASN N N 15 111.314 0.000 . 1 . . . . 288 N N . 17006 1 438 . 1 1 39 39 ASN ND2 N 15 113.677 0.001 . 1 . . . . 288 N ND2 . 17006 1 439 . 1 1 40 40 CYS H H 1 8.763 0.000 . 1 . . . . 289 C HN . 17006 1 440 . 1 1 40 40 CYS HA H 1 4.723 0.000 . 1 . . . . 289 C HA . 17006 1 441 . 1 1 40 40 CYS HB2 H 1 2.592 0.000 . 2 . . . . 289 C HB2 . 17006 1 442 . 1 1 40 40 CYS HB3 H 1 3.328 0.000 . 2 . . . . 289 C HB3 . 17006 1 443 . 1 1 40 40 CYS C C 13 174.423 0.000 . 1 . . . . 289 C C . 17006 1 444 . 1 1 40 40 CYS CA C 13 60.352 0.000 . 1 . . . . 289 C CA . 17006 1 445 . 1 1 40 40 CYS CB C 13 29.537 0.001 . 1 . . . . 289 C CB . 17006 1 446 . 1 1 40 40 CYS N N 15 114.901 0.000 . 1 . . . . 289 C N . 17006 1 447 . 1 1 41 41 LYS H H 1 8.998 0.000 . 1 . . . . 290 K HN . 17006 1 448 . 1 1 41 41 LYS HA H 1 4.722 0.000 . 1 . . . . 290 K HA . 17006 1 449 . 1 1 41 41 LYS HB2 H 1 1.417 0.000 . 2 . . . . 290 K HB2 . 17006 1 450 . 1 1 41 41 LYS HB3 H 1 1.448 0.000 . 2 . . . . 290 K HB3 . 17006 1 451 . 1 1 41 41 LYS HD2 H 1 1.401 0.000 . 2 . . . . 290 K HD2 . 17006 1 452 . 1 1 41 41 LYS HD3 H 1 1.498 0.000 . 2 . . . . 290 K HD3 . 17006 1 453 . 1 1 41 41 LYS HE2 H 1 2.849 0.000 . 2 . . . . 290 K HE2 . 17006 1 454 . 1 1 41 41 LYS HE3 H 1 2.879 0.000 . 2 . . . . 290 K HE3 . 17006 1 455 . 1 1 41 41 LYS HG2 H 1 1.281 0.000 . 2 . . . . 290 K HG2 . 17006 1 456 . 1 1 41 41 LYS HG3 H 1 1.318 0.000 . 2 . . . . 290 K HG3 . 17006 1 457 . 1 1 41 41 LYS C C 13 173.385 0.000 . 1 . . . . 290 K C . 17006 1 458 . 1 1 41 41 LYS CA C 13 54.831 0.000 . 1 . . . . 290 K CA . 17006 1 459 . 1 1 41 41 LYS CB C 13 35.892 0.000 . 1 . . . . 290 K CB . 17006 1 460 . 1 1 41 41 LYS CD C 13 29.457 0.001 . 1 . . . . 290 K CD . 17006 1 461 . 1 1 41 41 LYS CE C 13 42.138 0.000 . 1 . . . . 290 K CE . 17006 1 462 . 1 1 41 41 LYS CG C 13 24.974 0.001 . 1 . . . . 290 K CG . 17006 1 463 . 1 1 41 41 LYS N N 15 118.613 0.000 . 1 . . . . 290 K N . 17006 1 464 . 1 1 42 42 LEU H H 1 8.795 0.000 . 1 . . . . 291 L HN . 17006 1 465 . 1 1 42 42 LEU HA H 1 4.669 0.000 . 1 . . . . 291 L HA . 17006 1 466 . 1 1 42 42 LEU HB2 H 1 1.172 0.000 . 2 . . . . 291 L HB2 . 17006 1 467 . 1 1 42 42 LEU HB3 H 1 1.426 0.000 . 2 . . . . 291 L HB3 . 17006 1 468 . 1 1 42 42 LEU HD11 H 1 -0.021 0.000 . . . . . . 291 L QD1 . 17006 1 469 . 1 1 42 42 LEU HD12 H 1 -0.021 0.000 . . . . . . 291 L QD1 . 17006 1 470 . 1 1 42 42 LEU HD13 H 1 -0.021 0.000 . . . . . . 291 L QD1 . 17006 1 471 . 1 1 42 42 LEU HD21 H 1 0.228 0.000 . . . . . . 291 L QD2 . 17006 1 472 . 1 1 42 42 LEU HD22 H 1 0.228 0.000 . . . . . . 291 L QD2 . 17006 1 473 . 1 1 42 42 LEU HD23 H 1 0.228 0.000 . . . . . . 291 L QD2 . 17006 1 474 . 1 1 42 42 LEU HG H 1 1.048 0.000 . 1 . . . . 291 L HG . 17006 1 475 . 1 1 42 42 LEU C C 13 174.664 0.000 . 1 . . . . 291 L C . 17006 1 476 . 1 1 42 42 LEU CA C 13 54.278 0.000 . 1 . . . . 291 L CA . 17006 1 477 . 1 1 42 42 LEU CB C 13 42.662 0.013 . 1 . . . . 291 L CB . 17006 1 478 . 1 1 42 42 LEU CD1 C 13 24.097 0.000 . 2 . . . . 291 L CD1 . 17006 1 479 . 1 1 42 42 LEU CD2 C 13 25.423 0.000 . 2 . . . . 291 L CD2 . 17006 1 480 . 1 1 42 42 LEU CG C 13 27.642 0.000 . 1 . . . . 291 L CG . 17006 1 481 . 1 1 42 42 LEU N N 15 125.679 0.000 . 1 . . . . 291 L N . 17006 1 482 . 1 1 43 43 LYS H H 1 9.412 0.000 . 1 . . . . 292 K HN . 17006 1 483 . 1 1 43 43 LYS HA H 1 5.229 0.000 . 1 . . . . 292 K HA . 17006 1 484 . 1 1 43 43 LYS HB2 H 1 1.428 0.000 . 2 . . . . 292 K HB2 . 17006 1 485 . 1 1 43 43 LYS HB3 H 1 1.692 0.000 . 2 . . . . 292 K HB3 . 17006 1 486 . 1 1 43 43 LYS HD2 H 1 1.427 0.000 . 2 . . . . 292 K HD2 . 17006 1 487 . 1 1 43 43 LYS HD3 H 1 1.526 0.000 . 2 . . . . 292 K HD3 . 17006 1 488 . 1 1 43 43 LYS HE2 H 1 2.540 0.000 . 2 . . . . 292 K HE2 . 17006 1 489 . 1 1 43 43 LYS HE3 H 1 2.665 0.000 . 2 . . . . 292 K HE3 . 17006 1 490 . 1 1 43 43 LYS HG2 H 1 1.029 0.000 . 2 . . . . 292 K HG2 . 17006 1 491 . 1 1 43 43 LYS HG3 H 1 1.229 0.000 . 2 . . . . 292 K HG3 . 17006 1 492 . 1 1 43 43 LYS C C 13 175.173 0.000 . 1 . . . . 292 K C . 17006 1 493 . 1 1 43 43 LYS CA C 13 54.140 0.000 . 1 . . . . 292 K CA . 17006 1 494 . 1 1 43 43 LYS CB C 13 34.052 0.001 . 1 . . . . 292 K CB . 17006 1 495 . 1 1 43 43 LYS CD C 13 29.165 0.004 . 1 . . . . 292 K CD . 17006 1 496 . 1 1 43 43 LYS CE C 13 41.678 0.004 . 1 . . . . 292 K CE . 17006 1 497 . 1 1 43 43 LYS CG C 13 24.889 0.003 . 1 . . . . 292 K CG . 17006 1 498 . 1 1 43 43 LYS N N 15 124.633 0.000 . 1 . . . . 292 K N . 17006 1 499 . 1 1 44 44 PHE H H 1 8.942 0.000 . 1 . . . . 293 F HN . 17006 1 500 . 1 1 44 44 PHE HA H 1 5.638 0.000 . 1 . . . . 293 F HA . 17006 1 501 . 1 1 44 44 PHE HB2 H 1 2.602 0.000 . 2 . . . . 293 F HB2 . 17006 1 502 . 1 1 44 44 PHE HB3 H 1 2.733 0.000 . 2 . . . . 293 F HB3 . 17006 1 503 . 1 1 44 44 PHE HD1 H 1 6.825 0.004 . 3 . . . . 293 F QD . 17006 1 504 . 1 1 44 44 PHE HD2 H 1 6.825 0.004 . 3 . . . . 293 F QD . 17006 1 505 . 1 1 44 44 PHE HE1 H 1 6.775 0.003 . 3 . . . . 293 F QE . 17006 1 506 . 1 1 44 44 PHE HE2 H 1 6.775 0.003 . 3 . . . . 293 F QE . 17006 1 507 . 1 1 44 44 PHE HZ H 1 6.626 0.000 . 1 . . . . 293 F HZ . 17006 1 508 . 1 1 44 44 PHE C C 13 173.496 0.000 . 1 . . . . 293 F C . 17006 1 509 . 1 1 44 44 PHE CA C 13 55.300 0.000 . 1 . . . . 293 F CA . 17006 1 510 . 1 1 44 44 PHE CB C 13 42.063 0.038 . 1 . . . . 293 F CB . 17006 1 511 . 1 1 44 44 PHE CD1 C 13 131.769 0.000 . 3 . . . . 293 F CD1 . 17006 1 512 . 1 1 44 44 PHE CE1 C 13 130.930 0.000 . 3 . . . . 293 F CE1 . 17006 1 513 . 1 1 44 44 PHE CZ C 13 129.582 0.000 . 1 . . . . 293 F CZ . 17006 1 514 . 1 1 44 44 PHE N N 15 124.373 0.000 . 1 . . . . 293 F N . 17006 1 515 . 1 1 45 45 THR H H 1 8.713 0.000 . 1 . . . . 294 T HN . 17006 1 516 . 1 1 45 45 THR HA H 1 4.974 0.000 . 1 . . . . 294 T HA . 17006 1 517 . 1 1 45 45 THR HB H 1 3.853 0.000 . 1 . . . . 294 T HB . 17006 1 518 . 1 1 45 45 THR HG21 H 1 1.207 0.000 . . . . . . 294 T QG2 . 17006 1 519 . 1 1 45 45 THR HG22 H 1 1.207 0.000 . . . . . . 294 T QG2 . 17006 1 520 . 1 1 45 45 THR HG23 H 1 1.207 0.000 . . . . . . 294 T QG2 . 17006 1 521 . 1 1 45 45 THR C C 13 173.272 0.000 . 1 . . . . 294 T C . 17006 1 522 . 1 1 45 45 THR CA C 13 61.427 0.000 . 1 . . . . 294 T CA . 17006 1 523 . 1 1 45 45 THR CB C 13 70.799 0.000 . 1 . . . . 294 T CB . 17006 1 524 . 1 1 45 45 THR CG2 C 13 20.822 0.000 . 1 . . . . 294 T CG2 . 17006 1 525 . 1 1 45 45 THR N N 15 124.329 0.000 . 1 . . . . 294 T N . 17006 1 526 . 1 1 46 46 ASP H H 1 7.997 0.000 . 1 . . . . 295 D HN . 17006 1 527 . 1 1 46 46 ASP HA H 1 4.633 0.000 . 1 . . . . 295 D HA . 17006 1 528 . 1 1 46 46 ASP HB2 H 1 2.763 0.000 . 2 . . . . 295 D HB2 . 17006 1 529 . 1 1 46 46 ASP HB3 H 1 3.056 0.000 . 2 . . . . 295 D HB3 . 17006 1 530 . 1 1 46 46 ASP C C 13 174.297 0.000 . 1 . . . . 295 D C . 17006 1 531 . 1 1 46 46 ASP CA C 13 53.651 0.000 . 1 . . . . 295 D CA . 17006 1 532 . 1 1 46 46 ASP CB C 13 41.123 0.004 . 1 . . . . 295 D CB . 17006 1 533 . 1 1 46 46 ASP N N 15 124.035 0.000 . 1 . . . . 295 D N . 17006 1 534 . 1 1 47 47 ALA H H 1 7.938 0.000 . 1 . . . . 296 A HN . 17006 1 535 . 1 1 47 47 ALA HA H 1 4.501 0.000 . 1 . . . . 296 A HA . 17006 1 536 . 1 1 47 47 ALA HB1 H 1 1.271 0.000 . . . . . . 296 A QB . 17006 1 537 . 1 1 47 47 ALA HB2 H 1 1.271 0.000 . . . . . . 296 A QB . 17006 1 538 . 1 1 47 47 ALA HB3 H 1 1.271 0.000 . . . . . . 296 A QB . 17006 1 539 . 1 1 47 47 ALA C C 13 177.626 0.000 . 1 . . . . 296 A C . 17006 1 540 . 1 1 47 47 ALA CA C 13 51.352 0.000 . 1 . . . . 296 A CA . 17006 1 541 . 1 1 47 47 ALA CB C 13 19.504 0.000 . 1 . . . . 296 A CB . 17006 1 542 . 1 1 47 47 ALA N N 15 120.581 0.000 . 1 . . . . 296 A N . 17006 1 543 . 1 1 48 48 GLY H H 1 8.257 0.000 . 1 . . . . 297 G HN . 17006 1 544 . 1 1 48 48 GLY HA2 H 1 3.907 0.000 . . . . . . 297 G HA1 . 17006 1 545 . 1 1 48 48 GLY HA3 H 1 4.047 0.000 . 2 . . . . 297 G HA2 . 17006 1 546 . 1 1 48 48 GLY C C 13 173.292 0.000 . 1 . . . . 297 G C . 17006 1 547 . 1 1 48 48 GLY CA C 13 44.811 0.009 . 1 . . . . 297 G CA . 17006 1 548 . 1 1 48 48 GLY N N 15 107.540 0.000 . 1 . . . . 297 G N . 17006 1 549 . 1 1 49 49 ASP H H 1 8.303 0.000 . 1 . . . . 298 D HN . 17006 1 550 . 1 1 49 49 ASP HA H 1 4.351 0.000 . 1 . . . . 298 D HA . 17006 1 551 . 1 1 49 49 ASP HB2 H 1 2.626 0.000 . 2 . . . . 298 D QB . 17006 1 552 . 1 1 49 49 ASP HB3 H 1 2.626 0.000 . 2 . . . . 298 D QB . 17006 1 553 . 1 1 49 49 ASP C C 13 176.896 0.000 . 1 . . . . 298 D C . 17006 1 554 . 1 1 49 49 ASP CA C 13 56.148 0.000 . 1 . . . . 298 D CA . 17006 1 555 . 1 1 49 49 ASP CB C 13 41.066 0.000 . 1 . . . . 298 D CB . 17006 1 556 . 1 1 49 49 ASP N N 15 118.126 0.000 . 1 . . . . 298 D N . 17006 1 557 . 1 1 50 50 LYS H H 1 8.300 0.000 . 1 . . . . 299 K HN . 17006 1 558 . 1 1 50 50 LYS HA H 1 4.574 0.000 . 1 . . . . 299 K HA . 17006 1 559 . 1 1 50 50 LYS HB2 H 1 1.636 0.000 . 2 . . . . 299 K HB2 . 17006 1 560 . 1 1 50 50 LYS HB3 H 1 1.752 0.000 . 2 . . . . 299 K HB3 . 17006 1 561 . 1 1 50 50 LYS HD2 H 1 1.638 0.000 . 2 . . . . 299 K HD2 . 17006 1 562 . 1 1 50 50 LYS HD3 H 1 1.682 0.000 . 2 . . . . 299 K HD3 . 17006 1 563 . 1 1 50 50 LYS HE2 H 1 2.980 0.000 . 2 . . . . 299 K HE2 . 17006 1 564 . 1 1 50 50 LYS HE3 H 1 2.985 0.000 . 2 . . . . 299 K HE3 . 17006 1 565 . 1 1 50 50 LYS HG2 H 1 1.308 0.000 . 2 . . . . 299 K HG2 . 17006 1 566 . 1 1 50 50 LYS HG3 H 1 1.365 0.000 . 2 . . . . 299 K HG3 . 17006 1 567 . 1 1 50 50 LYS CA C 13 53.680 0.000 . 1 . . . . 299 K CA . 17006 1 568 . 1 1 50 50 LYS CB C 13 32.105 0.002 . 1 . . . . 299 K CB . 17006 1 569 . 1 1 50 50 LYS CD C 13 29.381 0.002 . 1 . . . . 299 K CD . 17006 1 570 . 1 1 50 50 LYS CE C 13 42.174 0.000 . 1 . . . . 299 K CE . 17006 1 571 . 1 1 50 50 LYS CG C 13 24.427 0.005 . 1 . . . . 299 K CG . 17006 1 572 . 1 1 50 50 LYS N N 15 119.971 0.000 . 1 . . . . 299 K N . 17006 1 573 . 1 1 51 51 PRO HA H 1 4.560 0.000 . 1 . . . . 300 P HA . 17006 1 574 . 1 1 51 51 PRO HB2 H 1 1.711 0.000 . 2 . . . . 300 P HB2 . 17006 1 575 . 1 1 51 51 PRO HB3 H 1 2.156 0.000 . 2 . . . . 300 P HB3 . 17006 1 576 . 1 1 51 51 PRO HD2 H 1 3.479 0.000 . 2 . . . . 300 P HD2 . 17006 1 577 . 1 1 51 51 PRO HD3 H 1 3.536 0.000 . 2 . . . . 300 P HD3 . 17006 1 578 . 1 1 51 51 PRO HG2 H 1 1.846 0.000 . 2 . . . . 300 P HG2 . 17006 1 579 . 1 1 51 51 PRO HG3 H 1 1.896 0.000 . 2 . . . . 300 P HG3 . 17006 1 580 . 1 1 51 51 PRO C C 13 177.642 0.000 . 1 . . . . 300 P C . 17006 1 581 . 1 1 51 51 PRO CA C 13 63.390 0.000 . 1 . . . . 300 P CA . 17006 1 582 . 1 1 51 51 PRO CB C 13 33.073 0.001 . 1 . . . . 300 P CB . 17006 1 583 . 1 1 51 51 PRO CD C 13 50.388 0.000 . 1 . . . . 300 P CD . 17006 1 584 . 1 1 51 51 PRO CG C 13 26.982 0.002 . 1 . . . . 300 P CG . 17006 1 585 . 1 1 52 52 THR H H 1 8.870 0.000 . 1 . . . . 301 T HN . 17006 1 586 . 1 1 52 52 THR HA H 1 4.492 0.000 . 1 . . . . 301 T HA . 17006 1 587 . 1 1 52 52 THR HB H 1 4.103 0.000 . 1 . . . . 301 T HB . 17006 1 588 . 1 1 52 52 THR HG21 H 1 1.198 0.000 . . . . . . 301 T QG2 . 17006 1 589 . 1 1 52 52 THR HG22 H 1 1.198 0.000 . . . . . . 301 T QG2 . 17006 1 590 . 1 1 52 52 THR HG23 H 1 1.198 0.000 . . . . . . 301 T QG2 . 17006 1 591 . 1 1 52 52 THR C C 13 173.276 0.000 . 1 . . . . 301 T C . 17006 1 592 . 1 1 52 52 THR CA C 13 61.460 0.000 . 1 . . . . 301 T CA . 17006 1 593 . 1 1 52 52 THR CB C 13 71.244 0.000 . 1 . . . . 301 T CB . 17006 1 594 . 1 1 52 52 THR CG2 C 13 21.658 0.000 . 1 . . . . 301 T CG2 . 17006 1 595 . 1 1 52 52 THR N N 15 117.376 0.000 . 1 . . . . 301 T N . 17006 1 596 . 1 1 53 53 THR H H 1 8.584 0.000 . 1 . . . . 302 T HN . 17006 1 597 . 1 1 53 53 THR HA H 1 4.934 0.000 . 1 . . . . 302 T HA . 17006 1 598 . 1 1 53 53 THR HB H 1 3.652 0.000 . 1 . . . . 302 T HB . 17006 1 599 . 1 1 53 53 THR HG21 H 1 0.943 0.000 . . . . . . 302 T QG2 . 17006 1 600 . 1 1 53 53 THR HG22 H 1 0.943 0.000 . . . . . . 302 T QG2 . 17006 1 601 . 1 1 53 53 THR HG23 H 1 0.943 0.000 . . . . . . 302 T QG2 . 17006 1 602 . 1 1 53 53 THR C C 13 173.666 0.000 . 1 . . . . 302 T C . 17006 1 603 . 1 1 53 53 THR CA C 13 61.969 0.000 . 1 . . . . 302 T CA . 17006 1 604 . 1 1 53 53 THR CB C 13 70.648 0.000 . 1 . . . . 302 T CB . 17006 1 605 . 1 1 53 53 THR CG2 C 13 22.068 0.000 . 1 . . . . 302 T CG2 . 17006 1 606 . 1 1 53 53 THR N N 15 121.617 0.000 . 1 . . . . 302 T N . 17006 1 607 . 1 1 54 54 GLN H H 1 8.892 0.000 . 1 . . . . 303 Q HN . 17006 1 608 . 1 1 54 54 GLN HA H 1 4.504 0.000 . 1 . . . . 303 Q HA . 17006 1 609 . 1 1 54 54 GLN HB2 H 1 0.917 0.000 . 2 . . . . 303 Q HB2 . 17006 1 610 . 1 1 54 54 GLN HB3 H 1 1.177 0.000 . 2 . . . . 303 Q HB3 . 17006 1 611 . 1 1 54 54 GLN HE21 H 1 6.669 0.000 . 2 . . . . 303 Q HE21 . 17006 1 612 . 1 1 54 54 GLN HE22 H 1 6.819 0.003 . 2 . . . . 303 Q HE22 . 17006 1 613 . 1 1 54 54 GLN HG2 H 1 1.799 0.000 . 2 . . . . 303 Q HG2 . 17006 1 614 . 1 1 54 54 GLN HG3 H 1 2.001 0.000 . 2 . . . . 303 Q HG3 . 17006 1 615 . 1 1 54 54 GLN C C 13 174.169 0.000 . 1 . . . . 303 Q C . 17006 1 616 . 1 1 54 54 GLN CA C 13 53.979 0.000 . 1 . . . . 303 Q CA . 17006 1 617 . 1 1 54 54 GLN CB C 13 29.613 0.002 . 1 . . . . 303 Q CB . 17006 1 618 . 1 1 54 54 GLN CD C 13 178.750 0.009 . 1 . . . . 303 Q CD . 17006 1 619 . 1 1 54 54 GLN CG C 13 33.477 0.003 . 1 . . . . 303 Q CG . 17006 1 620 . 1 1 54 54 GLN N N 15 126.981 0.000 . 1 . . . . 303 Q N . 17006 1 621 . 1 1 54 54 GLN NE2 N 15 109.932 0.001 . 1 . . . . 303 Q NE2 . 17006 1 622 . 1 1 55 55 ILE H H 1 8.307 0.000 . 1 . . . . 304 I HN . 17006 1 623 . 1 1 55 55 ILE HA H 1 4.678 0.000 . 1 . . . . 304 I HA . 17006 1 624 . 1 1 55 55 ILE HB H 1 1.651 0.000 . 1 . . . . 304 I HB . 17006 1 625 . 1 1 55 55 ILE HD11 H 1 0.767 0.000 . . . . . . 304 I QD1 . 17006 1 626 . 1 1 55 55 ILE HD12 H 1 0.767 0.000 . . . . . . 304 I QD1 . 17006 1 627 . 1 1 55 55 ILE HD13 H 1 0.767 0.000 . . . . . . 304 I QD1 . 17006 1 628 . 1 1 55 55 ILE HG12 H 1 0.761 0.000 . 2 . . . . 304 I HG12 . 17006 1 629 . 1 1 55 55 ILE HG13 H 1 1.404 0.000 . 2 . . . . 304 I HG13 . 17006 1 630 . 1 1 55 55 ILE HG21 H 1 0.677 0.000 . . . . . . 304 I QG2 . 17006 1 631 . 1 1 55 55 ILE HG22 H 1 0.677 0.000 . . . . . . 304 I QG2 . 17006 1 632 . 1 1 55 55 ILE HG23 H 1 0.677 0.000 . . . . . . 304 I QG2 . 17006 1 633 . 1 1 55 55 ILE C C 13 175.156 0.000 . 1 . . . . 304 I C . 17006 1 634 . 1 1 55 55 ILE CA C 13 60.703 0.000 . 1 . . . . 304 I CA . 17006 1 635 . 1 1 55 55 ILE CB C 13 40.287 0.000 . 1 . . . . 304 I CB . 17006 1 636 . 1 1 55 55 ILE CD1 C 13 13.381 0.000 . 1 . . . . 304 I CD1 . 17006 1 637 . 1 1 55 55 ILE CG1 C 13 27.987 0.003 . 1 . . . . 304 I CG1 . 17006 1 638 . 1 1 55 55 ILE CG2 C 13 18.072 0.000 . 1 . . . . 304 I CG2 . 17006 1 639 . 1 1 55 55 ILE N N 15 120.662 0.000 . 1 . . . . 304 I N . 17006 1 640 . 1 1 56 56 ILE H H 1 9.460 0.000 . 1 . . . . 305 I HN . 17006 1 641 . 1 1 56 56 ILE HA H 1 4.254 0.000 . 1 . . . . 305 I HA . 17006 1 642 . 1 1 56 56 ILE HB H 1 1.643 0.000 . 1 . . . . 305 I HB . 17006 1 643 . 1 1 56 56 ILE HD11 H 1 0.605 0.000 . . . . . . 305 I QD1 . 17006 1 644 . 1 1 56 56 ILE HD12 H 1 0.605 0.000 . . . . . . 305 I QD1 . 17006 1 645 . 1 1 56 56 ILE HD13 H 1 0.605 0.000 . . . . . . 305 I QD1 . 17006 1 646 . 1 1 56 56 ILE HG12 H 1 1.140 0.000 . 2 . . . . 305 I HG12 . 17006 1 647 . 1 1 56 56 ILE HG13 H 1 1.462 0.000 . 2 . . . . 305 I HG13 . 17006 1 648 . 1 1 56 56 ILE HG21 H 1 0.643 0.000 . . . . . . 305 I QG2 . 17006 1 649 . 1 1 56 56 ILE HG22 H 1 0.643 0.000 . . . . . . 305 I QG2 . 17006 1 650 . 1 1 56 56 ILE HG23 H 1 0.643 0.000 . . . . . . 305 I QG2 . 17006 1 651 . 1 1 56 56 ILE C C 13 175.036 0.000 . 1 . . . . 305 I C . 17006 1 652 . 1 1 56 56 ILE CA C 13 60.298 0.000 . 1 . . . . 305 I CA . 17006 1 653 . 1 1 56 56 ILE CB C 13 40.932 0.000 . 1 . . . . 305 I CB . 17006 1 654 . 1 1 56 56 ILE CD1 C 13 15.017 0.000 . 1 . . . . 305 I CD1 . 17006 1 655 . 1 1 56 56 ILE CG1 C 13 28.608 0.002 . 1 . . . . 305 I CG1 . 17006 1 656 . 1 1 56 56 ILE CG2 C 13 17.399 0.000 . 1 . . . . 305 I CG2 . 17006 1 657 . 1 1 56 56 ILE N N 15 128.496 0.000 . 1 . . . . 305 I N . 17006 1 658 . 1 1 57 57 ASP H H 1 8.820 0.000 . 1 . . . . 306 D HN . 17006 1 659 . 1 1 57 57 ASP HA H 1 4.425 0.000 . 1 . . . . 306 D HA . 17006 1 660 . 1 1 57 57 ASP HB2 H 1 2.597 0.000 . 2 . . . . 306 D HB2 . 17006 1 661 . 1 1 57 57 ASP HB3 H 1 2.836 0.000 . 2 . . . . 306 D HB3 . 17006 1 662 . 1 1 57 57 ASP C C 13 176.639 0.000 . 1 . . . . 306 D C . 17006 1 663 . 1 1 57 57 ASP CA C 13 54.601 0.000 . 1 . . . . 306 D CA . 17006 1 664 . 1 1 57 57 ASP CB C 13 41.050 0.016 . 1 . . . . 306 D CB . 17006 1 665 . 1 1 57 57 ASP N N 15 127.696 0.000 . 1 . . . . 306 D N . 17006 1 666 . 1 1 58 58 MET H H 1 8.066 0.000 . 1 . . . . 307 M HN . 17006 1 667 . 1 1 58 58 MET HA H 1 4.031 0.000 . 1 . . . . 307 M HA . 17006 1 668 . 1 1 58 58 MET HB2 H 1 1.885 0.000 . 2 . . . . 307 M HB2 . 17006 1 669 . 1 1 58 58 MET HB3 H 1 2.321 0.000 . 2 . . . . 307 M HB3 . 17006 1 670 . 1 1 58 58 MET HE1 H 1 1.758 0.000 . . . . . . 307 M QE . 17006 1 671 . 1 1 58 58 MET HE2 H 1 1.758 0.000 . . . . . . 307 M QE . 17006 1 672 . 1 1 58 58 MET HE3 H 1 1.758 0.000 . . . . . . 307 M QE . 17006 1 673 . 1 1 58 58 MET HG2 H 1 1.416 0.000 . 2 . . . . 307 M HG2 . 17006 1 674 . 1 1 58 58 MET HG3 H 1 1.443 0.000 . 2 . . . . 307 M HG3 . 17006 1 675 . 1 1 58 58 MET C C 13 177.660 0.000 . 1 . . . . 307 M C . 17006 1 676 . 1 1 58 58 MET CA C 13 58.109 0.000 . 1 . . . . 307 M CA . 17006 1 677 . 1 1 58 58 MET CB C 13 33.052 0.000 . 1 . . . . 307 M CB . 17006 1 678 . 1 1 58 58 MET CE C 13 15.149 0.000 . 1 . . . . 307 M CE . 17006 1 679 . 1 1 58 58 MET CG C 13 31.334 0.003 . 1 . . . . 307 M CG . 17006 1 680 . 1 1 58 58 MET N N 15 125.448 0.000 . 1 . . . . 307 M N . 17006 1 681 . 1 1 59 59 GLY H H 1 8.645 0.000 . 1 . . . . 308 G HN . 17006 1 682 . 1 1 59 59 GLY HA2 H 1 3.983 0.000 . . . . . . 308 G HA1 . 17006 1 683 . 1 1 59 59 GLY HA3 H 1 4.539 0.000 . 2 . . . . 308 G HA2 . 17006 1 684 . 1 1 59 59 GLY CA C 13 44.929 0.002 . 1 . . . . 308 G CA . 17006 1 685 . 1 1 59 59 GLY N N 15 109.579 0.000 . 1 . . . . 308 G N . 17006 1 686 . 1 1 60 60 PRO HA H 1 4.323 0.000 . 1 . . . . 309 P HA . 17006 1 687 . 1 1 60 60 PRO HB2 H 1 1.805 0.000 . 2 . . . . 309 P HB2 . 17006 1 688 . 1 1 60 60 PRO HB3 H 1 2.102 0.000 . 2 . . . . 309 P HB3 . 17006 1 689 . 1 1 60 60 PRO HD2 H 1 3.536 0.000 . 2 . . . . 309 P HD2 . 17006 1 690 . 1 1 60 60 PRO HD3 H 1 3.593 0.000 . 2 . . . . 309 P HD3 . 17006 1 691 . 1 1 60 60 PRO HG2 H 1 1.186 0.000 . 2 . . . . 309 P HG2 . 17006 1 692 . 1 1 60 60 PRO HG3 H 1 1.937 0.000 . 2 . . . . 309 P HG3 . 17006 1 693 . 1 1 60 60 PRO C C 13 176.495 0.000 . 1 . . . . 309 P C . 17006 1 694 . 1 1 60 60 PRO CA C 13 64.089 0.000 . 1 . . . . 309 P CA . 17006 1 695 . 1 1 60 60 PRO CB C 13 32.456 0.034 . 1 . . . . 309 P CB . 17006 1 696 . 1 1 60 60 PRO CD C 13 49.991 0.002 . 1 . . . . 309 P CD . 17006 1 697 . 1 1 60 60 PRO CG C 13 26.104 0.000 . 1 . . . . 309 P CG . 17006 1 698 . 1 1 61 61 HIS H H 1 7.791 0.000 . 1 . . . . 310 H HN . 17006 1 699 . 1 1 61 61 HIS HA H 1 4.686 0.000 . 1 . . . . 310 H HA . 17006 1 700 . 1 1 61 61 HIS HB2 H 1 3.029 0.000 . 2 . . . . 310 H HB2 . 17006 1 701 . 1 1 61 61 HIS HB3 H 1 3.218 0.000 . 2 . . . . 310 H HB3 . 17006 1 702 . 1 1 61 61 HIS HD2 H 1 7.122 0.002 . 1 . . . . 310 H HD2 . 17006 1 703 . 1 1 61 61 HIS HE1 H 1 7.911 0.002 . 1 . . . . 310 H HE1 . 17006 1 704 . 1 1 61 61 HIS C C 13 175.577 0.000 . 1 . . . . 310 H C . 17006 1 705 . 1 1 61 61 HIS CA C 13 56.014 0.000 . 1 . . . . 310 H CA . 17006 1 706 . 1 1 61 61 HIS CB C 13 31.298 0.020 . 1 . . . . 310 H CB . 17006 1 707 . 1 1 61 61 HIS CD2 C 13 119.655 0.006 . 1 . . . . 310 H CD2 . 17006 1 708 . 1 1 61 61 HIS CE1 C 13 138.679 0.000 . 1 . . . . 310 H CE1 . 17006 1 709 . 1 1 61 61 HIS N N 15 119.331 0.000 . 1 . . . . 310 H N . 17006 1 710 . 1 1 62 62 GLU H H 1 8.660 0.000 . 1 . . . . 311 E HN . 17006 1 711 . 1 1 62 62 GLU HA H 1 4.318 0.000 . 1 . . . . 311 E HA . 17006 1 712 . 1 1 62 62 GLU HB2 H 1 1.811 0.000 . 2 . . . . 311 E HB2 . 17006 1 713 . 1 1 62 62 GLU HB3 H 1 1.900 0.000 . 2 . . . . 311 E HB3 . 17006 1 714 . 1 1 62 62 GLU HG2 H 1 2.238 0.000 . 2 . . . . 311 E HG2 . 17006 1 715 . 1 1 62 62 GLU HG3 H 1 2.266 0.000 . 2 . . . . 311 E HG3 . 17006 1 716 . 1 1 62 62 GLU C C 13 176.478 0.000 . 1 . . . . 311 E C . 17006 1 717 . 1 1 62 62 GLU CA C 13 56.210 0.000 . 1 . . . . 311 E CA . 17006 1 718 . 1 1 62 62 GLU CB C 13 30.302 0.007 . 1 . . . . 311 E CB . 17006 1 719 . 1 1 62 62 GLU CG C 13 36.445 0.003 . 1 . . . . 311 E CG . 17006 1 720 . 1 1 62 62 GLU N N 15 122.299 0.000 . 1 . . . . 311 E N . 17006 1 721 . 1 1 63 63 ILE H H 1 8.711 0.000 . 1 . . . . 312 I HN . 17006 1 722 . 1 1 63 63 ILE HA H 1 4.200 0.000 . 1 . . . . 312 I HA . 17006 1 723 . 1 1 63 63 ILE HB H 1 1.765 0.000 . 1 . . . . 312 I HB . 17006 1 724 . 1 1 63 63 ILE HD11 H 1 0.922 0.000 . . . . . . 312 I QD1 . 17006 1 725 . 1 1 63 63 ILE HD12 H 1 0.922 0.000 . . . . . . 312 I QD1 . 17006 1 726 . 1 1 63 63 ILE HD13 H 1 0.922 0.000 . . . . . . 312 I QD1 . 17006 1 727 . 1 1 63 63 ILE HG12 H 1 0.914 0.000 . 2 . . . . 312 I HG12 . 17006 1 728 . 1 1 63 63 ILE HG13 H 1 1.692 0.000 . 2 . . . . 312 I HG13 . 17006 1 729 . 1 1 63 63 ILE HG21 H 1 0.891 0.000 . . . . . . 312 I QG2 . 17006 1 730 . 1 1 63 63 ILE HG22 H 1 0.891 0.000 . . . . . . 312 I QG2 . 17006 1 731 . 1 1 63 63 ILE HG23 H 1 0.891 0.000 . . . . . . 312 I QG2 . 17006 1 732 . 1 1 63 63 ILE C C 13 176.182 0.000 . 1 . . . . 312 I C . 17006 1 733 . 1 1 63 63 ILE CA C 13 61.524 0.000 . 1 . . . . 312 I CA . 17006 1 734 . 1 1 63 63 ILE CB C 13 38.823 0.000 . 1 . . . . 312 I CB . 17006 1 735 . 1 1 63 63 ILE CD1 C 13 14.343 0.000 . 1 . . . . 312 I CD1 . 17006 1 736 . 1 1 63 63 ILE CG1 C 13 27.602 0.001 . 1 . . . . 312 I CG1 . 17006 1 737 . 1 1 63 63 ILE CG2 C 13 17.970 0.000 . 1 . . . . 312 I CG2 . 17006 1 738 . 1 1 63 63 ILE N N 15 122.550 0.000 . 1 . . . . 312 I N . 17006 1 739 . 1 1 64 64 GLY H H 1 9.083 0.000 . 1 . . . . 313 G HN . 17006 1 740 . 1 1 64 64 GLY HA2 H 1 3.744 0.000 . . . . . . 313 G HA1 . 17006 1 741 . 1 1 64 64 GLY HA3 H 1 4.058 0.000 . 2 . . . . 313 G HA2 . 17006 1 742 . 1 1 64 64 GLY C C 13 173.670 0.000 . 1 . . . . 313 G C . 17006 1 743 . 1 1 64 64 GLY CA C 13 45.027 0.025 . 1 . . . . 313 G CA . 17006 1 744 . 1 1 64 64 GLY N N 15 115.219 0.000 . 1 . . . . 313 G N . 17006 1 745 . 1 1 65 65 ILE H H 1 8.395 0.000 . 1 . . . . 314 I HN . 17006 1 746 . 1 1 65 65 ILE HA H 1 3.399 0.000 . 1 . . . . 314 I HA . 17006 1 747 . 1 1 65 65 ILE HB H 1 1.565 0.000 . 1 . . . . 314 I HB . 17006 1 748 . 1 1 65 65 ILE HD11 H 1 0.716 0.000 . . . . . . 314 I QD1 . 17006 1 749 . 1 1 65 65 ILE HD12 H 1 0.716 0.000 . . . . . . 314 I QD1 . 17006 1 750 . 1 1 65 65 ILE HD13 H 1 0.716 0.000 . . . . . . 314 I QD1 . 17006 1 751 . 1 1 65 65 ILE HG12 H 1 0.717 0.000 . 2 . . . . 314 I HG12 . 17006 1 752 . 1 1 65 65 ILE HG13 H 1 1.376 0.000 . 2 . . . . 314 I HG13 . 17006 1 753 . 1 1 65 65 ILE HG21 H 1 0.936 0.000 . . . . . . 314 I QG2 . 17006 1 754 . 1 1 65 65 ILE HG22 H 1 0.936 0.000 . . . . . . 314 I QG2 . 17006 1 755 . 1 1 65 65 ILE HG23 H 1 0.936 0.000 . . . . . . 314 I QG2 . 17006 1 756 . 1 1 65 65 ILE C C 13 177.308 0.000 . 1 . . . . 314 I C . 17006 1 757 . 1 1 65 65 ILE CA C 13 64.348 0.000 . 1 . . . . 314 I CA . 17006 1 758 . 1 1 65 65 ILE CB C 13 37.997 0.000 . 1 . . . . 314 I CB . 17006 1 759 . 1 1 65 65 ILE CD1 C 13 13.492 0.000 . 1 . . . . 314 I CD1 . 17006 1 760 . 1 1 65 65 ILE CG1 C 13 28.486 0.001 . 1 . . . . 314 I CG1 . 17006 1 761 . 1 1 65 65 ILE CG2 C 13 17.308 0.000 . 1 . . . . 314 I CG2 . 17006 1 762 . 1 1 65 65 ILE N N 15 121.250 0.000 . 1 . . . . 314 I N . 17006 1 763 . 1 1 66 66 LYS H H 1 8.827 0.000 . 1 . . . . 315 K HN . 17006 1 764 . 1 1 66 66 LYS HA H 1 3.226 0.000 . 1 . . . . 315 K HA . 17006 1 765 . 1 1 66 66 LYS HB2 H 1 2.090 0.000 . 2 . . . . 315 K HB2 . 17006 1 766 . 1 1 66 66 LYS HB3 H 1 2.229 0.000 . 2 . . . . 315 K HB3 . 17006 1 767 . 1 1 66 66 LYS HD2 H 1 1.725 0.000 . 2 . . . . 315 K HD2 . 17006 1 768 . 1 1 66 66 LYS HD3 H 1 1.812 0.000 . 2 . . . . 315 K HD3 . 17006 1 769 . 1 1 66 66 LYS HE2 H 1 3.031 0.000 . 2 . . . . 315 K HE2 . 17006 1 770 . 1 1 66 66 LYS HE3 H 1 3.056 0.000 . 2 . . . . 315 K HE3 . 17006 1 771 . 1 1 66 66 LYS HG2 H 1 1.407 0.000 . 2 . . . . 315 K HG2 . 17006 1 772 . 1 1 66 66 LYS HG3 H 1 1.541 0.000 . 2 . . . . 315 K HG3 . 17006 1 773 . 1 1 66 66 LYS C C 13 173.820 0.000 . 1 . . . . 315 K C . 17006 1 774 . 1 1 66 66 LYS CA C 13 58.455 0.000 . 1 . . . . 315 K CA . 17006 1 775 . 1 1 66 66 LYS CB C 13 29.280 0.003 . 1 . . . . 315 K CB . 17006 1 776 . 1 1 66 66 LYS CD C 13 29.629 0.003 . 1 . . . . 315 K CD . 17006 1 777 . 1 1 66 66 LYS CE C 13 42.436 0.000 . 1 . . . . 315 K CE . 17006 1 778 . 1 1 66 66 LYS CG C 13 26.319 0.002 . 1 . . . . 315 K CG . 17006 1 779 . 1 1 66 66 LYS N N 15 121.792 0.000 . 1 . . . . 315 K N . 17006 1 780 . 1 1 67 67 GLU H H 1 7.253 0.000 . 1 . . . . 316 E HN . 17006 1 781 . 1 1 67 67 GLU HA H 1 4.505 0.000 . 1 . . . . 316 E HA . 17006 1 782 . 1 1 67 67 GLU HB2 H 1 1.873 0.000 . 2 . . . . 316 E HB2 . 17006 1 783 . 1 1 67 67 GLU HB3 H 1 2.025 0.000 . 2 . . . . 316 E HB3 . 17006 1 784 . 1 1 67 67 GLU HG2 H 1 2.174 0.000 . 2 . . . . 316 E HG2 . 17006 1 785 . 1 1 67 67 GLU HG3 H 1 2.288 0.000 . 2 . . . . 316 E HG3 . 17006 1 786 . 1 1 67 67 GLU C C 13 174.621 0.000 . 1 . . . . 316 E C . 17006 1 787 . 1 1 67 67 GLU CA C 13 56.236 0.000 . 1 . . . . 316 E CA . 17006 1 788 . 1 1 67 67 GLU CB C 13 31.431 0.001 . 1 . . . . 316 E CB . 17006 1 789 . 1 1 67 67 GLU CG C 13 37.203 0.003 . 1 . . . . 316 E CG . 17006 1 790 . 1 1 67 67 GLU N N 15 116.874 0.000 . 1 . . . . 316 E N . 17006 1 791 . 1 1 68 68 TYR H H 1 8.325 0.000 . 1 . . . . 317 Y HN . 17006 1 792 . 1 1 68 68 TYR HA H 1 5.842 0.000 . 1 . . . . 317 Y HA . 17006 1 793 . 1 1 68 68 TYR HB2 H 1 2.874 0.000 . 2 . . . . 317 Y QB . 17006 1 794 . 1 1 68 68 TYR HB3 H 1 2.874 0.000 . 2 . . . . 317 Y QB . 17006 1 795 . 1 1 68 68 TYR HD1 H 1 7.018 0.000 . 3 . . . . 317 Y QD . 17006 1 796 . 1 1 68 68 TYR HD2 H 1 7.018 0.000 . 3 . . . . 317 Y QD . 17006 1 797 . 1 1 68 68 TYR HE1 H 1 6.515 0.000 . 3 . . . . 317 Y QE . 17006 1 798 . 1 1 68 68 TYR HE2 H 1 6.515 0.000 . 3 . . . . 317 Y QE . 17006 1 799 . 1 1 68 68 TYR C C 13 176.489 0.000 . 1 . . . . 317 Y C . 17006 1 800 . 1 1 68 68 TYR CA C 13 56.274 0.000 . 1 . . . . 317 Y CA . 17006 1 801 . 1 1 68 68 TYR CB C 13 41.935 0.037 . 1 . . . . 317 Y CB . 17006 1 802 . 1 1 68 68 TYR CD1 C 13 130.584 0.000 . 3 . . . . 317 Y CD1 . 17006 1 803 . 1 1 68 68 TYR CE1 C 13 117.991 0.000 . 3 . . . . 317 Y CE1 . 17006 1 804 . 1 1 68 68 TYR N N 15 120.116 0.000 . 1 . . . . 317 Y N . 17006 1 805 . 1 1 69 69 LYS H H 1 9.022 0.000 . 1 . . . . 318 K HN . 17006 1 806 . 1 1 69 69 LYS HA H 1 4.497 0.000 . 1 . . . . 318 K HA . 17006 1 807 . 1 1 69 69 LYS HB2 H 1 1.593 0.000 . 2 . . . . 318 K HB2 . 17006 1 808 . 1 1 69 69 LYS HB3 H 1 1.634 0.000 . 2 . . . . 318 K HB3 . 17006 1 809 . 1 1 69 69 LYS HD2 H 1 1.775 0.000 . 2 . . . . 318 K HD2 . 17006 1 810 . 1 1 69 69 LYS HD3 H 1 1.838 0.000 . 2 . . . . 318 K HD3 . 17006 1 811 . 1 1 69 69 LYS HE2 H 1 2.935 0.000 . 2 . . . . 318 K HE2 . 17006 1 812 . 1 1 69 69 LYS HE3 H 1 2.969 0.000 . 2 . . . . 318 K HE3 . 17006 1 813 . 1 1 69 69 LYS HG2 H 1 1.242 0.000 . 2 . . . . 318 K HG2 . 17006 1 814 . 1 1 69 69 LYS HG3 H 1 1.369 0.000 . 2 . . . . 318 K HG3 . 17006 1 815 . 1 1 69 69 LYS C C 13 173.624 0.000 . 1 . . . . 318 K C . 17006 1 816 . 1 1 69 69 LYS CA C 13 54.740 0.000 . 1 . . . . 318 K CA . 17006 1 817 . 1 1 69 69 LYS CB C 13 37.405 0.004 . 1 . . . . 318 K CB . 17006 1 818 . 1 1 69 69 LYS CD C 13 28.361 0.005 . 1 . . . . 318 K CD . 17006 1 819 . 1 1 69 69 LYS CE C 13 42.418 0.002 . 1 . . . . 318 K CE . 17006 1 820 . 1 1 69 69 LYS CG C 13 24.848 0.009 . 1 . . . . 318 K CG . 17006 1 821 . 1 1 69 69 LYS N N 15 122.418 0.000 . 1 . . . . 318 K N . 17006 1 822 . 1 1 70 70 GLU H H 1 8.216 0.000 . 1 . . . . 319 E HN . 17006 1 823 . 1 1 70 70 GLU HA H 1 5.353 0.000 . 1 . . . . 319 E HA . 17006 1 824 . 1 1 70 70 GLU HB2 H 1 1.905 0.000 . 2 . . . . 319 E HB2 . 17006 1 825 . 1 1 70 70 GLU HB3 H 1 2.029 0.000 . 2 . . . . 319 E HB3 . 17006 1 826 . 1 1 70 70 GLU HG2 H 1 2.182 0.000 . 2 . . . . 319 E HG2 . 17006 1 827 . 1 1 70 70 GLU HG3 H 1 2.208 0.000 . 2 . . . . 319 E HG3 . 17006 1 828 . 1 1 70 70 GLU C C 13 174.705 0.000 . 1 . . . . 319 E C . 17006 1 829 . 1 1 70 70 GLU CA C 13 54.763 0.000 . 1 . . . . 319 E CA . 17006 1 830 . 1 1 70 70 GLU CB C 13 33.132 0.000 . 1 . . . . 319 E CB . 17006 1 831 . 1 1 70 70 GLU CG C 13 37.861 0.004 . 1 . . . . 319 E CG . 17006 1 832 . 1 1 70 70 GLU N N 15 122.560 0.000 . 1 . . . . 319 E N . 17006 1 833 . 1 1 71 71 TYR H H 1 9.071 0.000 . 1 . . . . 320 Y HN . 17006 1 834 . 1 1 71 71 TYR HA H 1 4.918 0.000 . 1 . . . . 320 Y HA . 17006 1 835 . 1 1 71 71 TYR HB2 H 1 3.184 0.000 . 2 . . . . 320 Y QB . 17006 1 836 . 1 1 71 71 TYR HB3 H 1 3.184 0.000 . 2 . . . . 320 Y QB . 17006 1 837 . 1 1 71 71 TYR HD1 H 1 7.006 0.003 . 3 . . . . 320 Y QD . 17006 1 838 . 1 1 71 71 TYR HD2 H 1 7.006 0.003 . 3 . . . . 320 Y QD . 17006 1 839 . 1 1 71 71 TYR HE1 H 1 6.692 0.004 . 3 . . . . 320 Y QE . 17006 1 840 . 1 1 71 71 TYR HE2 H 1 6.692 0.004 . 3 . . . . 320 Y QE . 17006 1 841 . 1 1 71 71 TYR C C 13 173.904 0.000 . 1 . . . . 320 Y C . 17006 1 842 . 1 1 71 71 TYR CA C 13 56.938 0.000 . 1 . . . . 320 Y CA . 17006 1 843 . 1 1 71 71 TYR CB C 13 42.861 0.043 . 1 . . . . 320 Y CB . 17006 1 844 . 1 1 71 71 TYR CD1 C 13 133.217 0.000 . 3 . . . . 320 Y CD1 . 17006 1 845 . 1 1 71 71 TYR CE1 C 13 118.060 0.000 . 3 . . . . 320 Y CE1 . 17006 1 846 . 1 1 71 71 TYR N N 15 122.200 0.000 . 1 . . . . 320 Y N . 17006 1 847 . 1 1 72 72 ARG H H 1 8.904 0.000 . 1 . . . . 321 R HN . 17006 1 848 . 1 1 72 72 ARG HA H 1 5.165 0.000 . 1 . . . . 321 R HA . 17006 1 849 . 1 1 72 72 ARG HB2 H 1 1.537 0.000 . 2 . . . . 321 R HB2 . 17006 1 850 . 1 1 72 72 ARG HB3 H 1 1.692 0.000 . 2 . . . . 321 R HB3 . 17006 1 851 . 1 1 72 72 ARG HD2 H 1 2.983 0.000 . 2 . . . . 321 R HD2 . 17006 1 852 . 1 1 72 72 ARG HD3 H 1 3.009 0.000 . 2 . . . . 321 R HD3 . 17006 1 853 . 1 1 72 72 ARG HG2 H 1 0.871 0.000 . 2 . . . . 321 R HG2 . 17006 1 854 . 1 1 72 72 ARG HG3 H 1 1.138 0.000 . 2 . . . . 321 R HG3 . 17006 1 855 . 1 1 72 72 ARG C C 13 174.308 0.000 . 1 . . . . 321 R C . 17006 1 856 . 1 1 72 72 ARG CA C 13 54.732 0.000 . 1 . . . . 321 R CA . 17006 1 857 . 1 1 72 72 ARG CB C 13 34.135 0.001 . 1 . . . . 321 R CB . 17006 1 858 . 1 1 72 72 ARG CD C 13 43.854 0.000 . 1 . . . . 321 R CD . 17006 1 859 . 1 1 72 72 ARG CG C 13 27.520 0.001 . 1 . . . . 321 R CG . 17006 1 860 . 1 1 72 72 ARG N N 15 121.922 0.000 . 1 . . . . 321 R N . 17006 1 861 . 1 1 73 73 TYR H H 1 9.387 0.000 . 1 . . . . 322 Y HN . 17006 1 862 . 1 1 73 73 TYR HA H 1 4.818 0.000 . 1 . . . . 322 Y HA . 17006 1 863 . 1 1 73 73 TYR HB2 H 1 2.868 0.000 . 2 . . . . 322 Y HB2 . 17006 1 864 . 1 1 73 73 TYR HB3 H 1 2.954 0.000 . 2 . . . . 322 Y HB3 . 17006 1 865 . 1 1 73 73 TYR HD1 H 1 6.960 0.004 . 3 . . . . 322 Y QD . 17006 1 866 . 1 1 73 73 TYR HD2 H 1 6.960 0.004 . 3 . . . . 322 Y QD . 17006 1 867 . 1 1 73 73 TYR HE1 H 1 6.960 0.002 . 3 . . . . 322 Y QE . 17006 1 868 . 1 1 73 73 TYR HE2 H 1 6.960 0.002 . 3 . . . . 322 Y QE . 17006 1 869 . 1 1 73 73 TYR C C 13 172.758 0.000 . 1 . . . . 322 Y C . 17006 1 870 . 1 1 73 73 TYR CA C 13 57.760 0.000 . 1 . . . . 322 Y CA . 17006 1 871 . 1 1 73 73 TYR CB C 13 41.642 0.060 . 1 . . . . 322 Y CB . 17006 1 872 . 1 1 73 73 TYR CD1 C 13 132.257 0.000 . 3 . . . . 322 Y CD1 . 17006 1 873 . 1 1 73 73 TYR CE1 C 13 118.800 0.000 . 3 . . . . 322 Y CE1 . 17006 1 874 . 1 1 73 73 TYR N N 15 126.137 0.000 . 1 . . . . 322 Y N . 17006 1 875 . 1 1 74 74 PHE H H 1 7.737 0.000 . 1 . . . . 323 F HN . 17006 1 876 . 1 1 74 74 PHE HA H 1 4.974 0.000 . 1 . . . . 323 F HA . 17006 1 877 . 1 1 74 74 PHE HB2 H 1 2.768 0.000 . 2 . . . . 323 F HB2 . 17006 1 878 . 1 1 74 74 PHE HB3 H 1 3.081 0.000 . 2 . . . . 323 F HB3 . 17006 1 879 . 1 1 74 74 PHE HD1 H 1 7.144 0.004 . 3 . . . . 323 F QD . 17006 1 880 . 1 1 74 74 PHE HD2 H 1 7.144 0.004 . 3 . . . . 323 F QD . 17006 1 881 . 1 1 74 74 PHE HE1 H 1 7.336 0.000 . 3 . . . . 323 F QE . 17006 1 882 . 1 1 74 74 PHE HE2 H 1 7.336 0.000 . 3 . . . . 323 F QE . 17006 1 883 . 1 1 74 74 PHE CA C 13 53.662 0.000 . 1 . . . . 323 F CA . 17006 1 884 . 1 1 74 74 PHE CB C 13 42.044 0.011 . 1 . . . . 323 F CB . 17006 1 885 . 1 1 74 74 PHE CD1 C 13 132.448 0.000 . 3 . . . . 323 F CD1 . 17006 1 886 . 1 1 74 74 PHE CE1 C 13 131.174 0.000 . 3 . . . . 323 F CE1 . 17006 1 887 . 1 1 74 74 PHE N N 15 127.867 0.000 . 1 . . . . 323 F N . 17006 1 888 . 1 1 75 75 PRO HA H 1 4.525 0.000 . 1 . . . . 324 P HA . 17006 1 889 . 1 1 75 75 PRO HB2 H 1 1.423 0.000 . 2 . . . . 324 P HB2 . 17006 1 890 . 1 1 75 75 PRO HB3 H 1 1.775 0.000 . 2 . . . . 324 P HB3 . 17006 1 891 . 1 1 75 75 PRO HD2 H 1 3.177 0.000 . 2 . . . . 324 P HD2 . 17006 1 892 . 1 1 75 75 PRO HD3 H 1 3.481 0.000 . 2 . . . . 324 P HD3 . 17006 1 893 . 1 1 75 75 PRO HG2 H 1 1.705 0.000 . 2 . . . . 324 P HG2 . 17006 1 894 . 1 1 75 75 PRO HG3 H 1 1.884 0.000 . 2 . . . . 324 P HG3 . 17006 1 895 . 1 1 75 75 PRO C C 13 175.400 0.000 . 1 . . . . 324 P C . 17006 1 896 . 1 1 75 75 PRO CA C 13 62.229 0.000 . 1 . . . . 324 P CA . 17006 1 897 . 1 1 75 75 PRO CB C 13 33.785 0.003 . 1 . . . . 324 P CB . 17006 1 898 . 1 1 75 75 PRO CD C 13 49.299 0.003 . 1 . . . . 324 P CD . 17006 1 899 . 1 1 75 75 PRO CG C 13 24.078 0.001 . 1 . . . . 324 P CG . 17006 1 900 . 1 1 76 76 TYR H H 1 8.553 0.000 . 1 . . . . 325 Y HN . 17006 1 901 . 1 1 76 76 TYR HA H 1 4.260 0.000 . 1 . . . . 325 Y HA . 17006 1 902 . 1 1 76 76 TYR HB2 H 1 2.847 0.000 . 2 . . . . 325 Y HB2 . 17006 1 903 . 1 1 76 76 TYR HB3 H 1 2.898 0.000 . 2 . . . . 325 Y HB3 . 17006 1 904 . 1 1 76 76 TYR HD1 H 1 7.104 0.006 . 3 . . . . 325 Y QD . 17006 1 905 . 1 1 76 76 TYR HD2 H 1 7.104 0.006 . 3 . . . . 325 Y QD . 17006 1 906 . 1 1 76 76 TYR HE1 H 1 6.794 0.000 . 3 . . . . 325 Y QE . 17006 1 907 . 1 1 76 76 TYR HE2 H 1 6.794 0.000 . 3 . . . . 325 Y QE . 17006 1 908 . 1 1 76 76 TYR C C 13 173.975 0.000 . 1 . . . . 325 Y C . 17006 1 909 . 1 1 76 76 TYR CA C 13 60.547 0.000 . 1 . . . . 325 Y CA . 17006 1 910 . 1 1 76 76 TYR CB C 13 41.672 0.012 . 1 . . . . 325 Y CB . 17006 1 911 . 1 1 76 76 TYR CD1 C 13 132.875 0.000 . 3 . . . . 325 Y CD1 . 17006 1 912 . 1 1 76 76 TYR CE1 C 13 118.884 0.000 . 3 . . . . 325 Y CE1 . 17006 1 913 . 1 1 76 76 TYR N N 15 123.055 0.000 . 1 . . . . 325 Y N . 17006 1 914 . 1 1 77 77 ALA H H 1 8.330 0.000 . 1 . . . . 326 A HN . 17006 1 915 . 1 1 77 77 ALA HA H 1 4.431 0.000 . 1 . . . . 326 A HA . 17006 1 916 . 1 1 77 77 ALA HB1 H 1 1.247 0.000 . . . . . . 326 A QB . 17006 1 917 . 1 1 77 77 ALA HB2 H 1 1.247 0.000 . . . . . . 326 A QB . 17006 1 918 . 1 1 77 77 ALA HB3 H 1 1.247 0.000 . . . . . . 326 A QB . 17006 1 919 . 1 1 77 77 ALA C C 13 176.375 0.000 . 1 . . . . 326 A C . 17006 1 920 . 1 1 77 77 ALA CA C 13 52.096 0.000 . 1 . . . . 326 A CA . 17006 1 921 . 1 1 77 77 ALA CB C 13 20.136 0.000 . 1 . . . . 326 A CB . 17006 1 922 . 1 1 77 77 ALA N N 15 128.968 0.000 . 1 . . . . 326 A N . 17006 1 923 . 1 1 78 78 LEU H H 1 6.107 0.000 . 1 . . . . 327 L HN . 17006 1 924 . 1 1 78 78 LEU HA H 1 4.346 0.000 . 1 . . . . 327 L HA . 17006 1 925 . 1 1 78 78 LEU HB2 H 1 1.349 0.000 . 2 . . . . 327 L HB2 . 17006 1 926 . 1 1 78 78 LEU HB3 H 1 1.545 0.000 . 2 . . . . 327 L HB3 . 17006 1 927 . 1 1 78 78 LEU HD11 H 1 0.754 0.000 . . . . . . 327 L QD1 . 17006 1 928 . 1 1 78 78 LEU HD12 H 1 0.754 0.000 . . . . . . 327 L QD1 . 17006 1 929 . 1 1 78 78 LEU HD13 H 1 0.754 0.000 . . . . . . 327 L QD1 . 17006 1 930 . 1 1 78 78 LEU HD21 H 1 0.787 0.000 . . . . . . 327 L QD2 . 17006 1 931 . 1 1 78 78 LEU HD22 H 1 0.787 0.000 . . . . . . 327 L QD2 . 17006 1 932 . 1 1 78 78 LEU HD23 H 1 0.787 0.000 . . . . . . 327 L QD2 . 17006 1 933 . 1 1 78 78 LEU HG H 1 1.274 0.000 . 1 . . . . 327 L HG . 17006 1 934 . 1 1 78 78 LEU C C 13 175.104 0.000 . 1 . . . . 327 L C . 17006 1 935 . 1 1 78 78 LEU CA C 13 53.973 0.000 . 1 . . . . 327 L CA . 17006 1 936 . 1 1 78 78 LEU CB C 13 43.403 0.002 . 1 . . . . 327 L CB . 17006 1 937 . 1 1 78 78 LEU CD1 C 13 23.172 0.000 . 2 . . . . 327 L CD1 . 17006 1 938 . 1 1 78 78 LEU CD2 C 13 25.214 0.000 . 2 . . . . 327 L CD2 . 17006 1 939 . 1 1 78 78 LEU CG C 13 26.962 0.000 . 1 . . . . 327 L CG . 17006 1 940 . 1 1 78 78 LEU N N 15 118.467 0.000 . 1 . . . . 327 L N . 17006 1 941 . 1 1 79 79 ASP H H 1 7.872 0.000 . 1 . . . . 328 D HN . 17006 1 942 . 1 1 79 79 ASP HA H 1 4.621 0.000 . 1 . . . . 328 D HA . 17006 1 943 . 1 1 79 79 ASP HB2 H 1 2.464 0.000 . 2 . . . . 328 D HB2 . 17006 1 944 . 1 1 79 79 ASP HB3 H 1 2.643 0.000 . 2 . . . . 328 D HB3 . 17006 1 945 . 1 1 79 79 ASP C C 13 177.267 0.000 . 1 . . . . 328 D C . 17006 1 946 . 1 1 79 79 ASP CA C 13 54.037 0.000 . 1 . . . . 328 D CA . 17006 1 947 . 1 1 79 79 ASP CB C 13 41.471 0.003 . 1 . . . . 328 D CB . 17006 1 948 . 1 1 79 79 ASP N N 15 117.002 0.000 . 1 . . . . 328 D N . 17006 1 949 . 1 1 80 80 LEU H H 1 8.481 0.000 . 1 . . . . 329 L HN . 17006 1 950 . 1 1 80 80 LEU HA H 1 4.339 0.000 . 1 . . . . 329 L HA . 17006 1 951 . 1 1 80 80 LEU HB2 H 1 1.131 0.000 . 2 . . . . 329 L HB2 . 17006 1 952 . 1 1 80 80 LEU HB3 H 1 1.349 0.000 . 2 . . . . 329 L HB3 . 17006 1 953 . 1 1 80 80 LEU HD11 H 1 0.555 0.000 . . . . . . 329 L QD1 . 17006 1 954 . 1 1 80 80 LEU HD12 H 1 0.555 0.000 . . . . . . 329 L QD1 . 17006 1 955 . 1 1 80 80 LEU HD13 H 1 0.555 0.000 . . . . . . 329 L QD1 . 17006 1 956 . 1 1 80 80 LEU HD21 H 1 0.570 0.000 . . . . . . 329 L QD2 . 17006 1 957 . 1 1 80 80 LEU HD22 H 1 0.570 0.000 . . . . . . 329 L QD2 . 17006 1 958 . 1 1 80 80 LEU HD23 H 1 0.570 0.000 . . . . . . 329 L QD2 . 17006 1 959 . 1 1 80 80 LEU HG H 1 1.477 0.000 . 1 . . . . 329 L HG . 17006 1 960 . 1 1 80 80 LEU C C 13 176.633 0.000 . 1 . . . . 329 L C . 17006 1 961 . 1 1 80 80 LEU CA C 13 55.149 0.000 . 1 . . . . 329 L CA . 17006 1 962 . 1 1 80 80 LEU CB C 13 41.769 0.000 . 1 . . . . 329 L CB . 17006 1 963 . 1 1 80 80 LEU CD1 C 13 23.651 0.000 . 2 . . . . 329 L CD1 . 17006 1 964 . 1 1 80 80 LEU CD2 C 13 24.988 0.000 . 2 . . . . 329 L CD2 . 17006 1 965 . 1 1 80 80 LEU CG C 13 26.745 0.000 . 1 . . . . 329 L CG . 17006 1 966 . 1 1 80 80 LEU N N 15 122.980 0.000 . 1 . . . . 329 L N . 17006 1 967 . 1 1 81 81 GLU H H 1 8.585 0.000 . 1 . . . . 330 E HN . 17006 1 968 . 1 1 81 81 GLU HA H 1 4.603 0.000 . 1 . . . . 330 E HA . 17006 1 969 . 1 1 81 81 GLU HB2 H 1 1.894 0.000 . 2 . . . . 330 E HB2 . 17006 1 970 . 1 1 81 81 GLU HB3 H 1 2.048 0.000 . 2 . . . . 330 E HB3 . 17006 1 971 . 1 1 81 81 GLU HG2 H 1 2.308 0.000 . 2 . . . . 330 E HG2 . 17006 1 972 . 1 1 81 81 GLU HG3 H 1 2.355 0.000 . 2 . . . . 330 E HG3 . 17006 1 973 . 1 1 81 81 GLU C C 13 176.757 0.000 . 1 . . . . 330 E C . 17006 1 974 . 1 1 81 81 GLU CA C 13 55.002 0.000 . 1 . . . . 330 E CA . 17006 1 975 . 1 1 81 81 GLU CB C 13 32.341 0.008 . 1 . . . . 330 E CB . 17006 1 976 . 1 1 81 81 GLU CG C 13 35.985 0.006 . 1 . . . . 330 E CG . 17006 1 977 . 1 1 81 81 GLU N N 15 122.449 0.000 . 1 . . . . 330 E N . 17006 1 978 . 1 1 82 82 ALA H H 1 8.892 0.000 . 1 . . . . 331 A HN . 17006 1 979 . 1 1 82 82 ALA HA H 1 4.134 0.000 . 1 . . . . 331 A HA . 17006 1 980 . 1 1 82 82 ALA HB1 H 1 1.378 0.000 . . . . . . 331 A QB . 17006 1 981 . 1 1 82 82 ALA HB2 H 1 1.378 0.000 . . . . . . 331 A QB . 17006 1 982 . 1 1 82 82 ALA HB3 H 1 1.378 0.000 . . . . . . 331 A QB . 17006 1 983 . 1 1 82 82 ALA C C 13 177.629 0.000 . 1 . . . . 331 A C . 17006 1 984 . 1 1 82 82 ALA CA C 13 53.919 0.000 . 1 . . . . 331 A CA . 17006 1 985 . 1 1 82 82 ALA CB C 13 18.309 0.000 . 1 . . . . 331 A CB . 17006 1 986 . 1 1 82 82 ALA N N 15 127.435 0.000 . 1 . . . . 331 A N . 17006 1 987 . 1 1 83 83 GLY H H 1 9.050 0.000 . 1 . . . . 332 G HN . 17006 1 988 . 1 1 83 83 GLY HA2 H 1 3.578 0.000 . . . . . . 332 G HA1 . 17006 1 989 . 1 1 83 83 GLY HA3 H 1 4.549 0.000 . 2 . . . . 332 G HA2 . 17006 1 990 . 1 1 83 83 GLY CA C 13 44.701 0.004 . 1 . . . . 332 G CA . 17006 1 991 . 1 1 83 83 GLY N N 15 108.956 0.000 . 1 . . . . 332 G N . 17006 1 992 . 1 1 84 84 SER H H 1 7.869 0.000 . 1 . . . . 333 S HN . 17006 1 993 . 1 1 84 84 SER HA H 1 4.529 0.000 . 1 . . . . 333 S HA . 17006 1 994 . 1 1 84 84 SER HB2 H 1 3.855 0.000 . 2 . . . . 333 S HB2 . 17006 1 995 . 1 1 84 84 SER HB3 H 1 4.054 0.000 . 2 . . . . 333 S HB3 . 17006 1 996 . 1 1 84 84 SER CA C 13 60.786 0.000 . 1 . . . . 333 S CA . 17006 1 997 . 1 1 84 84 SER CB C 13 64.076 0.000 . 1 . . . . 333 S CB . 17006 1 998 . 1 1 84 84 SER N N 15 116.996 0.000 . 1 . . . . 333 S N . 17006 1 999 . 1 1 85 85 THR H H 1 8.873 0.000 . 1 . . . . 334 T HN . 17006 1 1000 . 1 1 85 85 THR HA H 1 4.947 0.000 . 1 . . . . 334 T HA . 17006 1 1001 . 1 1 85 85 THR HB H 1 4.056 0.000 . 1 . . . . 334 T HB . 17006 1 1002 . 1 1 85 85 THR HG21 H 1 1.226 0.000 . . . . . . 334 T QG2 . 17006 1 1003 . 1 1 85 85 THR HG22 H 1 1.226 0.000 . . . . . . 334 T QG2 . 17006 1 1004 . 1 1 85 85 THR HG23 H 1 1.226 0.000 . . . . . . 334 T QG2 . 17006 1 1005 . 1 1 85 85 THR C C 13 173.290 0.000 . 1 . . . . 334 T C . 17006 1 1006 . 1 1 85 85 THR CA C 13 62.174 0.000 . 1 . . . . 334 T CA . 17006 1 1007 . 1 1 85 85 THR CB C 13 71.556 0.000 . 1 . . . . 334 T CB . 17006 1 1008 . 1 1 85 85 THR CG2 C 13 21.775 0.000 . 1 . . . . 334 T CG2 . 17006 1 1009 . 1 1 85 85 THR N N 15 116.673 0.000 . 1 . . . . 334 T N . 17006 1 1010 . 1 1 86 86 ILE H H 1 8.687 0.000 . 1 . . . . 335 I HN . 17006 1 1011 . 1 1 86 86 ILE HA H 1 5.113 0.000 . 1 . . . . 335 I HA . 17006 1 1012 . 1 1 86 86 ILE HB H 1 1.562 0.000 . 1 . . . . 335 I HB . 17006 1 1013 . 1 1 86 86 ILE HD11 H 1 0.954 0.000 . . . . . . 335 I QD1 . 17006 1 1014 . 1 1 86 86 ILE HD12 H 1 0.954 0.000 . . . . . . 335 I QD1 . 17006 1 1015 . 1 1 86 86 ILE HD13 H 1 0.954 0.000 . . . . . . 335 I QD1 . 17006 1 1016 . 1 1 86 86 ILE HG12 H 1 1.261 0.000 . 2 . . . . 335 I HG12 . 17006 1 1017 . 1 1 86 86 ILE HG13 H 1 1.604 0.000 . 2 . . . . 335 I HG13 . 17006 1 1018 . 1 1 86 86 ILE HG21 H 1 0.734 0.000 . . . . . . 335 I QG2 . 17006 1 1019 . 1 1 86 86 ILE HG22 H 1 0.734 0.000 . . . . . . 335 I QG2 . 17006 1 1020 . 1 1 86 86 ILE HG23 H 1 0.734 0.000 . . . . . . 335 I QG2 . 17006 1 1021 . 1 1 86 86 ILE C C 13 174.169 0.000 . 1 . . . . 335 I C . 17006 1 1022 . 1 1 86 86 ILE CA C 13 59.787 0.000 . 1 . . . . 335 I CA . 17006 1 1023 . 1 1 86 86 ILE CB C 13 40.587 0.000 . 1 . . . . 335 I CB . 17006 1 1024 . 1 1 86 86 ILE CD1 C 13 14.823 0.000 . 1 . . . . 335 I CD1 . 17006 1 1025 . 1 1 86 86 ILE CG1 C 13 28.963 0.002 . 1 . . . . 335 I CG1 . 17006 1 1026 . 1 1 86 86 ILE CG2 C 13 18.937 0.000 . 1 . . . . 335 I CG2 . 17006 1 1027 . 1 1 86 86 ILE N N 15 123.894 0.000 . 1 . . . . 335 I N . 17006 1 1028 . 1 1 87 87 GLU H H 1 9.045 0.000 . 1 . . . . 336 E HN . 17006 1 1029 . 1 1 87 87 GLU HA H 1 5.150 0.000 . 1 . . . . 336 E HA . 17006 1 1030 . 1 1 87 87 GLU HB2 H 1 1.933 0.000 . 2 . . . . 336 E HB2 . 17006 1 1031 . 1 1 87 87 GLU HB3 H 1 1.999 0.000 . 2 . . . . 336 E HB3 . 17006 1 1032 . 1 1 87 87 GLU HG2 H 1 2.121 0.000 . 2 . . . . 336 E HG2 . 17006 1 1033 . 1 1 87 87 GLU HG3 H 1 2.264 0.000 . 2 . . . . 336 E HG3 . 17006 1 1034 . 1 1 87 87 GLU C C 13 174.689 0.000 . 1 . . . . 336 E C . 17006 1 1035 . 1 1 87 87 GLU CA C 13 54.225 0.000 . 1 . . . . 336 E CA . 17006 1 1036 . 1 1 87 87 GLU CB C 13 35.410 0.000 . 1 . . . . 336 E CB . 17006 1 1037 . 1 1 87 87 GLU CG C 13 37.537 0.007 . 1 . . . . 336 E CG . 17006 1 1038 . 1 1 87 87 GLU N N 15 123.975 0.000 . 1 . . . . 336 E N . 17006 1 1039 . 1 1 88 88 ILE H H 1 8.881 0.000 . 1 . . . . 337 I HN . 17006 1 1040 . 1 1 88 88 ILE HA H 1 5.142 0.000 . 1 . . . . 337 I HA . 17006 1 1041 . 1 1 88 88 ILE HB H 1 2.039 0.000 . 1 . . . . 337 I HB . 17006 1 1042 . 1 1 88 88 ILE HD11 H 1 0.568 0.000 . . . . . . 337 I QD1 . 17006 1 1043 . 1 1 88 88 ILE HD12 H 1 0.568 0.000 . . . . . . 337 I QD1 . 17006 1 1044 . 1 1 88 88 ILE HD13 H 1 0.568 0.000 . . . . . . 337 I QD1 . 17006 1 1045 . 1 1 88 88 ILE HG21 H 1 0.844 0.000 . . . . . . 337 I QG2 . 17006 1 1046 . 1 1 88 88 ILE HG22 H 1 0.844 0.000 . . . . . . 337 I QG2 . 17006 1 1047 . 1 1 88 88 ILE HG23 H 1 0.844 0.000 . . . . . . 337 I QG2 . 17006 1 1048 . 1 1 88 88 ILE C C 13 174.974 0.000 . 1 . . . . 337 I C . 17006 1 1049 . 1 1 88 88 ILE CA C 13 58.725 0.000 . 1 . . . . 337 I CA . 17006 1 1050 . 1 1 88 88 ILE CB C 13 38.865 0.000 . 1 . . . . 337 I CB . 17006 1 1051 . 1 1 88 88 ILE CD1 C 13 11.687 0.000 . 1 . . . . 337 I CD1 . 17006 1 1052 . 1 1 88 88 ILE CG1 C 13 27.588 0.000 . 1 . . . . 337 I CG1 . 17006 1 1053 . 1 1 88 88 ILE CG2 C 13 17.087 0.000 . 1 . . . . 337 I CG2 . 17006 1 1054 . 1 1 88 88 ILE N N 15 120.252 0.000 . 1 . . . . 337 I N . 17006 1 1055 . 1 1 89 89 GLU H H 1 9.305 0.000 . 1 . . . . 338 E HN . 17006 1 1056 . 1 1 89 89 GLU HA H 1 5.299 0.000 . 1 . . . . 338 E HA . 17006 1 1057 . 1 1 89 89 GLU HB2 H 1 1.676 0.000 . 2 . . . . 338 E HB2 . 17006 1 1058 . 1 1 89 89 GLU HB3 H 1 1.865 0.000 . 2 . . . . 338 E HB3 . 17006 1 1059 . 1 1 89 89 GLU HG2 H 1 1.857 0.000 . 2 . . . . 338 E HG2 . 17006 1 1060 . 1 1 89 89 GLU HG3 H 1 2.197 0.000 . 2 . . . . 338 E HG3 . 17006 1 1061 . 1 1 89 89 GLU C C 13 176.126 0.000 . 1 . . . . 338 E C . 17006 1 1062 . 1 1 89 89 GLU CA C 13 53.302 0.000 . 1 . . . . 338 E CA . 17006 1 1063 . 1 1 89 89 GLU CB C 13 34.773 0.003 . 1 . . . . 338 E CB . 17006 1 1064 . 1 1 89 89 GLU CG C 13 36.827 0.002 . 1 . . . . 338 E CG . 17006 1 1065 . 1 1 89 89 GLU N N 15 127.946 0.000 . 1 . . . . 338 E N . 17006 1 1066 . 1 1 90 90 ASN H H 1 8.822 0.000 . 1 . . . . 339 N HN . 17006 1 1067 . 1 1 90 90 ASN HA H 1 5.323 0.000 . 1 . . . . 339 N HA . 17006 1 1068 . 1 1 90 90 ASN HB2 H 1 2.835 0.000 . 2 . . . . 339 N HB2 . 17006 1 1069 . 1 1 90 90 ASN HB3 H 1 3.653 0.000 . 2 . . . . 339 N HB3 . 17006 1 1070 . 1 1 90 90 ASN HD21 H 1 7.805 0.002 . 2 . . . . 339 N HD21 . 17006 1 1071 . 1 1 90 90 ASN HD22 H 1 8.038 0.000 . 2 . . . . 339 N HD22 . 17006 1 1072 . 1 1 90 90 ASN C C 13 176.683 0.024 . 1 . . . . 339 N C . 17006 1 1073 . 1 1 90 90 ASN CA C 13 51.461 0.000 . 1 . . . . 339 N CA . 17006 1 1074 . 1 1 90 90 ASN CB C 13 38.870 0.003 . 1 . . . . 339 N CB . 17006 1 1075 . 1 1 90 90 ASN N N 15 120.389 0.000 . 1 . . . . 339 N N . 17006 1 1076 . 1 1 90 90 ASN ND2 N 15 113.129 0.002 . 1 . . . . 339 N ND2 . 17006 1 1077 . 1 1 91 91 GLN H H 1 8.867 0.000 . 1 . . . . 340 Q HN . 17006 1 1078 . 1 1 91 91 GLN HA H 1 4.114 0.000 . 1 . . . . 340 Q HA . 17006 1 1079 . 1 1 91 91 GLN HB2 H 1 1.817 0.000 . 2 . . . . 340 Q HB2 . 17006 1 1080 . 1 1 91 91 GLN HB3 H 1 1.991 0.000 . 2 . . . . 340 Q HB3 . 17006 1 1081 . 1 1 91 91 GLN HE21 H 1 6.819 0.001 . 2 . . . . 340 Q HE21 . 17006 1 1082 . 1 1 91 91 GLN HE22 H 1 7.136 0.000 . 2 . . . . 340 Q HE22 . 17006 1 1083 . 1 1 91 91 GLN HG2 H 1 1.124 0.000 . 2 . . . . 340 Q HG2 . 17006 1 1084 . 1 1 91 91 GLN HG3 H 1 1.508 0.000 . 2 . . . . 340 Q HG3 . 17006 1 1085 . 1 1 91 91 GLN C C 13 175.376 0.000 . 1 . . . . 340 Q C . 17006 1 1086 . 1 1 91 91 GLN CA C 13 57.713 0.000 . 1 . . . . 340 Q CA . 17006 1 1087 . 1 1 91 91 GLN CB C 13 28.288 0.003 . 1 . . . . 340 Q CB . 17006 1 1088 . 1 1 91 91 GLN CD C 13 180.007 0.007 . 1 . . . . 340 Q CD . 17006 1 1089 . 1 1 91 91 GLN CG C 13 31.932 0.004 . 1 . . . . 340 Q CG . 17006 1 1090 . 1 1 91 91 GLN N N 15 116.666 0.000 . 1 . . . . 340 Q N . 17006 1 1091 . 1 1 91 91 GLN NE2 N 15 111.728 0.002 . 1 . . . . 340 Q NE2 . 17006 1 1092 . 1 1 92 92 TYR H H 1 7.320 0.000 . 1 . . . . 341 Y HN . 17006 1 1093 . 1 1 92 92 TYR HA H 1 4.680 0.000 . 1 . . . . 341 Y HA . 17006 1 1094 . 1 1 92 92 TYR HB2 H 1 2.746 0.000 . 2 . . . . 341 Y HB2 . 17006 1 1095 . 1 1 92 92 TYR HB3 H 1 3.450 0.000 . 2 . . . . 341 Y HB3 . 17006 1 1096 . 1 1 92 92 TYR HD1 H 1 7.073 0.003 . 3 . . . . 341 Y QD . 17006 1 1097 . 1 1 92 92 TYR HD2 H 1 7.073 0.003 . 3 . . . . 341 Y QD . 17006 1 1098 . 1 1 92 92 TYR HE1 H 1 6.826 0.003 . 3 . . . . 341 Y QE . 17006 1 1099 . 1 1 92 92 TYR HE2 H 1 6.826 0.003 . 3 . . . . 341 Y QE . 17006 1 1100 . 1 1 92 92 TYR C C 13 176.133 0.000 . 1 . . . . 341 Y C . 17006 1 1101 . 1 1 92 92 TYR CA C 13 56.700 0.000 . 1 . . . . 341 Y CA . 17006 1 1102 . 1 1 92 92 TYR CB C 13 37.939 0.003 . 1 . . . . 341 Y CB . 17006 1 1103 . 1 1 92 92 TYR CD1 C 13 132.812 0.000 . 3 . . . . 341 Y CD1 . 17006 1 1104 . 1 1 92 92 TYR CE1 C 13 118.459 0.000 . 3 . . . . 341 Y CE1 . 17006 1 1105 . 1 1 92 92 TYR N N 15 118.330 0.000 . 1 . . . . 341 Y N . 17006 1 1106 . 1 1 93 93 GLY H H 1 8.034 0.000 . 1 . . . . 342 G HN . 17006 1 1107 . 1 1 93 93 GLY HA2 H 1 3.733 0.000 . . . . . . 342 G HA1 . 17006 1 1108 . 1 1 93 93 GLY HA3 H 1 4.199 0.000 . 2 . . . . 342 G HA2 . 17006 1 1109 . 1 1 93 93 GLY C C 13 173.386 0.000 . 1 . . . . 342 G C . 17006 1 1110 . 1 1 93 93 GLY CA C 13 45.234 0.009 . 1 . . . . 342 G CA . 17006 1 1111 . 1 1 93 93 GLY N N 15 107.353 0.000 . 1 . . . . 342 G N . 17006 1 1112 . 1 1 94 94 GLU H H 1 7.717 0.000 . 1 . . . . 343 E HN . 17006 1 1113 . 1 1 94 94 GLU HA H 1 4.392 0.000 . 1 . . . . 343 E HA . 17006 1 1114 . 1 1 94 94 GLU HB2 H 1 1.829 0.000 . 2 . . . . 343 E HB2 . 17006 1 1115 . 1 1 94 94 GLU HB3 H 1 1.920 0.000 . 2 . . . . 343 E HB3 . 17006 1 1116 . 1 1 94 94 GLU HG2 H 1 2.010 0.000 . 2 . . . . 343 E HG2 . 17006 1 1117 . 1 1 94 94 GLU HG3 H 1 2.163 0.000 . 2 . . . . 343 E HG3 . 17006 1 1118 . 1 1 94 94 GLU C C 13 176.199 0.000 . 1 . . . . 343 E C . 17006 1 1119 . 1 1 94 94 GLU CA C 13 54.504 0.000 . 1 . . . . 343 E CA . 17006 1 1120 . 1 1 94 94 GLU CB C 13 30.522 0.001 . 1 . . . . 343 E CB . 17006 1 1121 . 1 1 94 94 GLU CG C 13 35.818 0.001 . 1 . . . . 343 E CG . 17006 1 1122 . 1 1 94 94 GLU N N 15 120.185 0.000 . 1 . . . . 343 E N . 17006 1 1123 . 1 1 95 95 VAL H H 1 8.849 0.000 . 1 . . . . 344 V HN . 17006 1 1124 . 1 1 95 95 VAL HA H 1 4.197 0.000 . 1 . . . . 344 V HA . 17006 1 1125 . 1 1 95 95 VAL HB H 1 2.034 0.000 . 1 . . . . 344 V HB . 17006 1 1126 . 1 1 95 95 VAL HG11 H 1 0.939 0.000 . . . . . . 344 V QG1 . 17006 1 1127 . 1 1 95 95 VAL HG12 H 1 0.939 0.000 . . . . . . 344 V QG1 . 17006 1 1128 . 1 1 95 95 VAL HG13 H 1 0.939 0.000 . . . . . . 344 V QG1 . 17006 1 1129 . 1 1 95 95 VAL HG21 H 1 1.020 0.000 . . . . . . 344 V QG2 . 17006 1 1130 . 1 1 95 95 VAL HG22 H 1 1.020 0.000 . . . . . . 344 V QG2 . 17006 1 1131 . 1 1 95 95 VAL HG23 H 1 1.020 0.000 . . . . . . 344 V QG2 . 17006 1 1132 . 1 1 95 95 VAL C C 13 176.297 0.000 . 1 . . . . 344 V C . 17006 1 1133 . 1 1 95 95 VAL CA C 13 64.243 0.000 . 1 . . . . 344 V CA . 17006 1 1134 . 1 1 95 95 VAL CB C 13 31.088 0.000 . 1 . . . . 344 V CB . 17006 1 1135 . 1 1 95 95 VAL CG1 C 13 21.744 0.000 . 2 . . . . 344 V CG1 . 17006 1 1136 . 1 1 95 95 VAL CG2 C 13 22.546 0.000 . 2 . . . . 344 V CG2 . 17006 1 1137 . 1 1 95 95 VAL N N 15 126.429 0.000 . 1 . . . . 344 V N . 17006 1 1138 . 1 1 96 96 ILE H H 1 8.866 0.000 . 1 . . . . 345 I HN . 17006 1 1139 . 1 1 96 96 ILE HA H 1 4.288 0.000 . 1 . . . . 345 I HA . 17006 1 1140 . 1 1 96 96 ILE HB H 1 1.676 0.000 . 1 . . . . 345 I HB . 17006 1 1141 . 1 1 96 96 ILE HD11 H 1 1.106 0.000 . . . . . . 345 I QD1 . 17006 1 1142 . 1 1 96 96 ILE HD12 H 1 1.106 0.000 . . . . . . 345 I QD1 . 17006 1 1143 . 1 1 96 96 ILE HD13 H 1 1.106 0.000 . . . . . . 345 I QD1 . 17006 1 1144 . 1 1 96 96 ILE HG12 H 1 1.048 0.000 . 2 . . . . 345 I HG12 . 17006 1 1145 . 1 1 96 96 ILE HG13 H 1 1.528 0.000 . 2 . . . . 345 I HG13 . 17006 1 1146 . 1 1 96 96 ILE HG21 H 1 0.907 0.000 . . . . . . 345 I QG2 . 17006 1 1147 . 1 1 96 96 ILE HG22 H 1 0.907 0.000 . . . . . . 345 I QG2 . 17006 1 1148 . 1 1 96 96 ILE HG23 H 1 0.907 0.000 . . . . . . 345 I QG2 . 17006 1 1149 . 1 1 96 96 ILE C C 13 175.066 0.000 . 1 . . . . 345 I C . 17006 1 1150 . 1 1 96 96 ILE CA C 13 61.753 0.000 . 1 . . . . 345 I CA . 17006 1 1151 . 1 1 96 96 ILE CB C 13 39.645 0.000 . 1 . . . . 345 I CB . 17006 1 1152 . 1 1 96 96 ILE CD1 C 13 14.415 0.000 . 1 . . . . 345 I CD1 . 17006 1 1153 . 1 1 96 96 ILE CG1 C 13 26.724 0.001 . 1 . . . . 345 I CG1 . 17006 1 1154 . 1 1 96 96 ILE CG2 C 13 18.980 0.000 . 1 . . . . 345 I CG2 . 17006 1 1155 . 1 1 96 96 ILE N N 15 121.159 0.000 . 1 . . . . 345 I N . 17006 1 1156 . 1 1 97 97 PHE H H 1 7.549 0.000 . 1 . . . . 346 F HN . 17006 1 1157 . 1 1 97 97 PHE HA H 1 4.746 0.000 . 1 . . . . 346 F HA . 17006 1 1158 . 1 1 97 97 PHE HB2 H 1 2.453 0.000 . 2 . . . . 346 F HB2 . 17006 1 1159 . 1 1 97 97 PHE HB3 H 1 2.915 0.000 . 2 . . . . 346 F HB3 . 17006 1 1160 . 1 1 97 97 PHE HD1 H 1 6.739 0.001 . 3 . . . . 346 F QD . 17006 1 1161 . 1 1 97 97 PHE HD2 H 1 6.739 0.001 . 3 . . . . 346 F QD . 17006 1 1162 . 1 1 97 97 PHE HE1 H 1 7.303 0.001 . 3 . . . . 346 F QE . 17006 1 1163 . 1 1 97 97 PHE HE2 H 1 7.303 0.001 . 3 . . . . 346 F QE . 17006 1 1164 . 1 1 97 97 PHE C C 13 173.439 0.000 . 1 . . . . 346 F C . 17006 1 1165 . 1 1 97 97 PHE CA C 13 58.377 0.000 . 1 . . . . 346 F CA . 17006 1 1166 . 1 1 97 97 PHE CB C 13 46.089 0.011 . 1 . . . . 346 F CB . 17006 1 1167 . 1 1 97 97 PHE CD1 C 13 131.133 0.000 . 3 . . . . 346 F CD1 . 17006 1 1168 . 1 1 97 97 PHE CE1 C 13 131.298 0.000 . 3 . . . . 346 F CE1 . 17006 1 1169 . 1 1 97 97 PHE N N 15 116.335 0.000 . 1 . . . . 346 F N . 17006 1 1170 . 1 1 98 98 LEU H H 1 9.341 0.000 . 1 . . . . 347 L HN . 17006 1 1171 . 1 1 98 98 LEU HA H 1 5.533 0.000 . 1 . . . . 347 L HA . 17006 1 1172 . 1 1 98 98 LEU HB2 H 1 1.793 0.000 . 2 . . . . 347 L HB2 . 17006 1 1173 . 1 1 98 98 LEU HB3 H 1 1.831 0.000 . 2 . . . . 347 L HB3 . 17006 1 1174 . 1 1 98 98 LEU HD11 H 1 0.917 0.000 . . . . . . 347 L QD1 . 17006 1 1175 . 1 1 98 98 LEU HD12 H 1 0.917 0.000 . . . . . . 347 L QD1 . 17006 1 1176 . 1 1 98 98 LEU HD13 H 1 0.917 0.000 . . . . . . 347 L QD1 . 17006 1 1177 . 1 1 98 98 LEU HD21 H 1 0.961 0.000 . . . . . . 347 L QD2 . 17006 1 1178 . 1 1 98 98 LEU HD22 H 1 0.961 0.000 . . . . . . 347 L QD2 . 17006 1 1179 . 1 1 98 98 LEU HD23 H 1 0.961 0.000 . . . . . . 347 L QD2 . 17006 1 1180 . 1 1 98 98 LEU HG H 1 1.618 0.000 . 1 . . . . 347 L HG . 17006 1 1181 . 1 1 98 98 LEU C C 13 175.889 0.000 . 1 . . . . 347 L C . 17006 1 1182 . 1 1 98 98 LEU CA C 13 55.460 0.000 . 1 . . . . 347 L CA . 17006 1 1183 . 1 1 98 98 LEU CB C 13 46.099 0.002 . 1 . . . . 347 L CB . 17006 1 1184 . 1 1 98 98 LEU CD1 C 13 25.676 0.000 . 2 . . . . 347 L CD1 . 17006 1 1185 . 1 1 98 98 LEU CD2 C 13 25.847 0.000 . 2 . . . . 347 L CD2 . 17006 1 1186 . 1 1 98 98 LEU CG C 13 27.451 0.000 . 1 . . . . 347 L CG . 17006 1 1187 . 1 1 98 98 LEU N N 15 120.461 0.000 . 1 . . . . 347 L N . 17006 1 1188 . 1 1 99 99 GLY H H 1 9.159 0.000 . 1 . . . . 348 G HN . 17006 1 1189 . 1 1 99 99 GLY HA2 H 1 3.869 0.000 . . . . . . 348 G HA1 . 17006 1 1190 . 1 1 99 99 GLY HA3 H 1 4.544 0.000 . 2 . . . . 348 G HA2 . 17006 1 1191 . 1 1 99 99 GLY C C 13 170.426 0.000 . 1 . . . . 348 G C . 17006 1 1192 . 1 1 99 99 GLY CA C 13 45.661 0.000 . 1 . . . . 348 G CA . 17006 1 1193 . 1 1 99 99 GLY N N 15 110.715 0.000 . 1 . . . . 348 G N . 17006 1 1194 . 1 1 100 100 LYS H H 1 8.626 0.000 . 1 . . . . 349 K HN . 17006 1 1195 . 1 1 100 100 LYS HA H 1 5.272 0.000 . 1 . . . . 349 K HA . 17006 1 1196 . 1 1 100 100 LYS HB2 H 1 1.669 0.000 . 2 . . . . 349 K HB2 . 17006 1 1197 . 1 1 100 100 LYS HB3 H 1 1.700 0.000 . 2 . . . . 349 K HB3 . 17006 1 1198 . 1 1 100 100 LYS HD2 H 1 1.638 0.000 . 2 . . . . 349 K HD2 . 17006 1 1199 . 1 1 100 100 LYS HD3 H 1 1.684 0.000 . 2 . . . . 349 K HD3 . 17006 1 1200 . 1 1 100 100 LYS HE2 H 1 2.953 0.000 . 2 . . . . 349 K HE2 . 17006 1 1201 . 1 1 100 100 LYS HE3 H 1 2.995 0.000 . 2 . . . . 349 K HE3 . 17006 1 1202 . 1 1 100 100 LYS HG2 H 1 1.394 0.000 . 2 . . . . 349 K HG2 . 17006 1 1203 . 1 1 100 100 LYS HG3 H 1 1.419 0.000 . 2 . . . . 349 K HG3 . 17006 1 1204 . 1 1 100 100 LYS CA C 13 54.495 0.000 . 1 . . . . 349 K CA . 17006 1 1205 . 1 1 100 100 LYS CB C 13 35.973 0.002 . 1 . . . . 349 K CB . 17006 1 1206 . 1 1 100 100 LYS CD C 13 29.348 0.003 . 1 . . . . 349 K CD . 17006 1 1207 . 1 1 100 100 LYS CE C 13 42.418 0.002 . 1 . . . . 349 K CE . 17006 1 1208 . 1 1 100 100 LYS CG C 13 24.608 0.002 . 1 . . . . 349 K CG . 17006 1 1209 . 1 1 100 100 LYS N N 15 119.686 0.000 . 1 . . . . 349 K N . 17006 1 1210 . 1 1 101 101 TYR H H 1 8.982 0.000 . 1 . . . . 350 Y HN . 17006 1 1211 . 1 1 101 101 TYR HA H 1 4.531 0.000 . 1 . . . . 350 Y HA . 17006 1 1212 . 1 1 101 101 TYR HB2 H 1 2.826 0.000 . 2 . . . . 350 Y HB2 . 17006 1 1213 . 1 1 101 101 TYR HB3 H 1 3.057 0.000 . 2 . . . . 350 Y HB3 . 17006 1 1214 . 1 1 101 101 TYR HD1 H 1 6.994 0.003 . 3 . . . . 350 Y QD . 17006 1 1215 . 1 1 101 101 TYR HD2 H 1 6.994 0.003 . 3 . . . . 350 Y QD . 17006 1 1216 . 1 1 101 101 TYR HE1 H 1 6.601 0.004 . 3 . . . . 350 Y QE . 17006 1 1217 . 1 1 101 101 TYR HE2 H 1 6.601 0.004 . 3 . . . . 350 Y QE . 17006 1 1218 . 1 1 101 101 TYR C C 13 175.553 0.000 . 1 . . . . 350 Y C . 17006 1 1219 . 1 1 101 101 TYR CA C 13 57.961 0.000 . 1 . . . . 350 Y CA . 17006 1 1220 . 1 1 101 101 TYR CB C 13 39.973 0.021 . 1 . . . . 350 Y CB . 17006 1 1221 . 1 1 101 101 TYR CD1 C 13 132.507 0.000 . 3 . . . . 350 Y CD1 . 17006 1 1222 . 1 1 101 101 TYR CE1 C 13 118.457 0.000 . 3 . . . . 350 Y CE1 . 17006 1 1223 . 1 1 101 101 TYR N N 15 124.633 0.000 . 1 . . . . 350 Y N . 17006 1 1224 . 1 1 102 102 GLY H H 1 9.266 0.000 . 1 . . . . 351 G HN . 17006 1 1225 . 1 1 102 102 GLY HA2 H 1 3.618 0.000 . . . . . . 351 G HA1 . 17006 1 1226 . 1 1 102 102 GLY HA3 H 1 4.244 0.000 . 2 . . . . 351 G HA2 . 17006 1 1227 . 1 1 102 102 GLY CA C 13 45.922 0.002 . 1 . . . . 351 G CA . 17006 1 1228 . 1 1 102 102 GLY N N 15 121.663 0.000 . 1 . . . . 351 G N . 17006 1 1229 . 1 1 103 103 SER HA H 1 4.328 0.000 . 1 . . . . 352 S HA . 17006 1 1230 . 1 1 103 103 SER HB2 H 1 3.824 0.000 . 2 . . . . 352 S HB2 . 17006 1 1231 . 1 1 103 103 SER HB3 H 1 3.989 0.000 . 2 . . . . 352 S HB3 . 17006 1 1232 . 1 1 103 103 SER C C 13 173.706 0.000 . 1 . . . . 352 S C . 17006 1 1233 . 1 1 103 103 SER CA C 13 58.461 0.000 . 1 . . . . 352 S CA . 17006 1 1234 . 1 1 103 103 SER CB C 13 63.802 0.006 . 1 . . . . 352 S CB . 17006 1 1235 . 1 1 104 104 SER H H 1 7.772 0.000 . 1 . . . . 353 S HN . 17006 1 1236 . 1 1 104 104 SER HA H 1 5.124 0.000 . 1 . . . . 353 S HA . 17006 1 1237 . 1 1 104 104 SER HB2 H 1 3.912 0.000 . 2 . . . . 353 S HB2 . 17006 1 1238 . 1 1 104 104 SER HB3 H 1 4.036 0.000 . 2 . . . . 353 S HB3 . 17006 1 1239 . 1 1 104 104 SER CA C 13 55.091 0.000 . 1 . . . . 353 S CA . 17006 1 1240 . 1 1 104 104 SER CB C 13 64.803 0.001 . 1 . . . . 353 S CB . 17006 1 1241 . 1 1 104 104 SER N N 15 116.913 0.000 . 1 . . . . 353 S N . 17006 1 1242 . 1 1 105 105 PRO HA H 1 4.601 0.000 . 1 . . . . 354 P HA . 17006 1 1243 . 1 1 105 105 PRO HB2 H 1 2.115 0.000 . 2 . . . . 354 P HB2 . 17006 1 1244 . 1 1 105 105 PRO HB3 H 1 2.530 0.000 . 2 . . . . 354 P HB3 . 17006 1 1245 . 1 1 105 105 PRO HD2 H 1 3.906 0.000 . 2 . . . . 354 P HD2 . 17006 1 1246 . 1 1 105 105 PRO HD3 H 1 3.932 0.000 . 2 . . . . 354 P HD3 . 17006 1 1247 . 1 1 105 105 PRO HG2 H 1 2.083 0.000 . 2 . . . . 354 P HG2 . 17006 1 1248 . 1 1 105 105 PRO HG3 H 1 2.126 0.000 . 2 . . . . 354 P HG3 . 17006 1 1249 . 1 1 105 105 PRO C C 13 175.209 0.000 . 1 . . . . 354 P C . 17006 1 1250 . 1 1 105 105 PRO CA C 13 64.747 0.000 . 1 . . . . 354 P CA . 17006 1 1251 . 1 1 105 105 PRO CB C 13 32.352 0.002 . 1 . . . . 354 P CB . 17006 1 1252 . 1 1 105 105 PRO CD C 13 51.003 0.000 . 1 . . . . 354 P CD . 17006 1 1253 . 1 1 105 105 PRO CG C 13 27.435 0.002 . 1 . . . . 354 P CG . 17006 1 1254 . 1 1 106 106 MET H H 1 7.532 0.000 . 1 . . . . 355 M HN . 17006 1 1255 . 1 1 106 106 MET HA H 1 5.083 0.000 . 1 . . . . 355 M HA . 17006 1 1256 . 1 1 106 106 MET HB2 H 1 1.923 0.000 . 2 . . . . 355 M HB2 . 17006 1 1257 . 1 1 106 106 MET HB3 H 1 1.953 0.000 . 2 . . . . 355 M HB3 . 17006 1 1258 . 1 1 106 106 MET HE1 H 1 1.983 0.000 . . . . . . 355 M QE . 17006 1 1259 . 1 1 106 106 MET HE2 H 1 1.983 0.000 . . . . . . 355 M QE . 17006 1 1260 . 1 1 106 106 MET HE3 H 1 1.983 0.000 . . . . . . 355 M QE . 17006 1 1261 . 1 1 106 106 MET HG2 H 1 2.328 0.000 . 2 . . . . 355 M HG2 . 17006 1 1262 . 1 1 106 106 MET HG3 H 1 2.404 0.000 . 2 . . . . 355 M HG3 . 17006 1 1263 . 1 1 106 106 MET C C 13 175.020 0.000 . 1 . . . . 355 M C . 17006 1 1264 . 1 1 106 106 MET CA C 13 54.945 0.000 . 1 . . . . 355 M CA . 17006 1 1265 . 1 1 106 106 MET CB C 13 33.749 0.002 . 1 . . . . 355 M CB . 17006 1 1266 . 1 1 106 106 MET CE C 13 17.107 0.000 . 1 . . . . 355 M CE . 17006 1 1267 . 1 1 106 106 MET CG C 13 32.139 0.002 . 1 . . . . 355 M CG . 17006 1 1268 . 1 1 106 106 MET N N 15 115.682 0.000 . 1 . . . . 355 M N . 17006 1 1269 . 1 1 107 107 ILE H H 1 9.371 0.000 . 1 . . . . 356 I HN . 17006 1 1270 . 1 1 107 107 ILE HA H 1 4.343 0.000 . 1 . . . . 356 I HA . 17006 1 1271 . 1 1 107 107 ILE HB H 1 1.802 0.000 . 1 . . . . 356 I HB . 17006 1 1272 . 1 1 107 107 ILE HD11 H 1 0.838 0.000 . . . . . . 356 I QD1 . 17006 1 1273 . 1 1 107 107 ILE HD12 H 1 0.838 0.000 . . . . . . 356 I QD1 . 17006 1 1274 . 1 1 107 107 ILE HD13 H 1 0.838 0.000 . . . . . . 356 I QD1 . 17006 1 1275 . 1 1 107 107 ILE HG12 H 1 1.158 0.000 . 2 . . . . 356 I HG12 . 17006 1 1276 . 1 1 107 107 ILE HG13 H 1 1.676 0.000 . 2 . . . . 356 I HG13 . 17006 1 1277 . 1 1 107 107 ILE HG21 H 1 0.821 0.000 . . . . . . 356 I QG2 . 17006 1 1278 . 1 1 107 107 ILE HG22 H 1 0.821 0.000 . . . . . . 356 I QG2 . 17006 1 1279 . 1 1 107 107 ILE HG23 H 1 0.821 0.000 . . . . . . 356 I QG2 . 17006 1 1280 . 1 1 107 107 ILE C C 13 174.639 0.000 . 1 . . . . 356 I C . 17006 1 1281 . 1 1 107 107 ILE CA C 13 60.558 0.000 . 1 . . . . 356 I CA . 17006 1 1282 . 1 1 107 107 ILE CB C 13 41.211 0.000 . 1 . . . . 356 I CB . 17006 1 1283 . 1 1 107 107 ILE CD1 C 13 15.338 0.000 . 1 . . . . 356 I CD1 . 17006 1 1284 . 1 1 107 107 ILE CG1 C 13 27.831 0.004 . 1 . . . . 356 I CG1 . 17006 1 1285 . 1 1 107 107 ILE CG2 C 13 18.642 0.000 . 1 . . . . 356 I CG2 . 17006 1 1286 . 1 1 107 107 ILE N N 15 126.377 0.000 . 1 . . . . 356 I N . 17006 1 1287 . 1 1 108 108 ASN H H 1 8.766 0.000 . 1 . . . . 357 N HN . 17006 1 1288 . 1 1 108 108 ASN HA H 1 5.168 0.000 . 1 . . . . 357 N HA . 17006 1 1289 . 1 1 108 108 ASN HB2 H 1 2.468 0.000 . 2 . . . . 357 N HB2 . 17006 1 1290 . 1 1 108 108 ASN HB3 H 1 2.799 0.000 . 2 . . . . 357 N HB3 . 17006 1 1291 . 1 1 108 108 ASN HD21 H 1 6.965 0.003 . 2 . . . . 357 N HD21 . 17006 1 1292 . 1 1 108 108 ASN HD22 H 1 7.524 0.000 . 2 . . . . 357 N HD22 . 17006 1 1293 . 1 1 108 108 ASN C C 13 174.412 0.000 . 1 . . . . 357 N C . 17006 1 1294 . 1 1 108 108 ASN CA C 13 52.783 0.000 . 1 . . . . 357 N CA . 17006 1 1295 . 1 1 108 108 ASN CB C 13 39.984 0.006 . 1 . . . . 357 N CB . 17006 1 1296 . 1 1 108 108 ASN CG C 13 176.226 0.017 . 1 . . . . 357 N CG . 17006 1 1297 . 1 1 108 108 ASN N N 15 124.709 0.000 . 1 . . . . 357 N N . 17006 1 1298 . 1 1 108 108 ASN ND2 N 15 113.162 0.000 . 1 . . . . 357 N ND2 . 17006 1 1299 . 1 1 109 109 LEU H H 1 9.261 0.000 . 1 . . . . 358 L HN . 17006 1 1300 . 1 1 109 109 LEU HA H 1 4.731 0.000 . 1 . . . . 358 L HA . 17006 1 1301 . 1 1 109 109 LEU HB2 H 1 1.434 0.000 . 2 . . . . 358 L HB2 . 17006 1 1302 . 1 1 109 109 LEU HB3 H 1 1.800 0.000 . 2 . . . . 358 L HB3 . 17006 1 1303 . 1 1 109 109 LEU HD11 H 1 0.614 0.000 . . . . . . 358 L QD1 . 17006 1 1304 . 1 1 109 109 LEU HD12 H 1 0.614 0.000 . . . . . . 358 L QD1 . 17006 1 1305 . 1 1 109 109 LEU HD13 H 1 0.614 0.000 . . . . . . 358 L QD1 . 17006 1 1306 . 1 1 109 109 LEU HD21 H 1 0.699 0.000 . . . . . . 358 L QD2 . 17006 1 1307 . 1 1 109 109 LEU HD22 H 1 0.699 0.000 . . . . . . 358 L QD2 . 17006 1 1308 . 1 1 109 109 LEU HD23 H 1 0.699 0.000 . . . . . . 358 L QD2 . 17006 1 1309 . 1 1 109 109 LEU HG H 1 1.549 0.000 . 1 . . . . 358 L HG . 17006 1 1310 . 1 1 109 109 LEU C C 13 175.812 0.000 . 1 . . . . 358 L C . 17006 1 1311 . 1 1 109 109 LEU CA C 13 55.122 0.000 . 1 . . . . 358 L CA . 17006 1 1312 . 1 1 109 109 LEU CB C 13 42.900 0.005 . 1 . . . . 358 L CB . 17006 1 1313 . 1 1 109 109 LEU CD1 C 13 24.811 0.000 . 2 . . . . 358 L CD1 . 17006 1 1314 . 1 1 109 109 LEU CD2 C 13 26.189 0.000 . 2 . . . . 358 L CD2 . 17006 1 1315 . 1 1 109 109 LEU CG C 13 28.581 0.000 . 1 . . . . 358 L CG . 17006 1 1316 . 1 1 109 109 LEU N N 15 124.128 0.000 . 1 . . . . 358 L N . 17006 1 1317 . 1 1 110 110 ARG H H 1 8.514 0.000 . 1 . . . . 359 R HN . 17006 1 1318 . 1 1 110 110 ARG HA H 1 5.320 0.000 . 1 . . . . 359 R HA . 17006 1 1319 . 1 1 110 110 ARG HB2 H 1 1.763 0.000 . 2 . . . . 359 R HB2 . 17006 1 1320 . 1 1 110 110 ARG HB3 H 1 2.053 0.000 . 2 . . . . 359 R HB3 . 17006 1 1321 . 1 1 110 110 ARG HD2 H 1 3.280 0.000 . 2 . . . . 359 R HD2 . 17006 1 1322 . 1 1 110 110 ARG HD3 H 1 3.311 0.000 . 2 . . . . 359 R HD3 . 17006 1 1323 . 1 1 110 110 ARG HG2 H 1 1.741 0.000 . 2 . . . . 359 R HG2 . 17006 1 1324 . 1 1 110 110 ARG HG3 H 1 1.789 0.000 . 2 . . . . 359 R HG3 . 17006 1 1325 . 1 1 110 110 ARG CA C 13 53.504 0.000 . 1 . . . . 359 R CA . 17006 1 1326 . 1 1 110 110 ARG CB C 13 32.343 0.006 . 1 . . . . 359 R CB . 17006 1 1327 . 1 1 110 110 ARG CD C 13 43.385 0.000 . 1 . . . . 359 R CD . 17006 1 1328 . 1 1 110 110 ARG CG C 13 27.600 0.000 . 1 . . . . 359 R CG . 17006 1 1329 . 1 1 110 110 ARG N N 15 119.482 0.000 . 1 . . . . 359 R N . 17006 1 1330 . 1 1 111 111 PRO HA H 1 4.804 0.000 . 1 . . . . 360 P HA . 17006 1 1331 . 1 1 111 111 PRO HB2 H 1 1.722 0.000 . 2 . . . . 360 P HB2 . 17006 1 1332 . 1 1 111 111 PRO HB3 H 1 2.242 0.000 . 2 . . . . 360 P HB3 . 17006 1 1333 . 1 1 111 111 PRO HD2 H 1 3.702 0.000 . 2 . . . . 360 P HD2 . 17006 1 1334 . 1 1 111 111 PRO HD3 H 1 4.044 0.000 . 2 . . . . 360 P HD3 . 17006 1 1335 . 1 1 111 111 PRO HG2 H 1 1.828 0.000 . 2 . . . . 360 P HG2 . 17006 1 1336 . 1 1 111 111 PRO HG3 H 1 2.105 0.000 . 2 . . . . 360 P HG3 . 17006 1 1337 . 1 1 111 111 PRO CA C 13 61.428 0.000 . 1 . . . . 360 P CA . 17006 1 1338 . 1 1 111 111 PRO CB C 13 30.761 0.000 . 1 . . . . 360 P CB . 17006 1 1339 . 1 1 111 111 PRO CD C 13 50.920 0.001 . 1 . . . . 360 P CD . 17006 1 1340 . 1 1 111 111 PRO CG C 13 28.003 0.012 . 1 . . . . 360 P CG . 17006 1 1341 . 1 1 112 112 PRO HA H 1 4.340 0.000 . 1 . . . . 361 P HA . 17006 1 1342 . 1 1 112 112 PRO HB2 H 1 1.898 0.000 . 2 . . . . 361 P HB2 . 17006 1 1343 . 1 1 112 112 PRO HB3 H 1 2.200 0.000 . 2 . . . . 361 P HB3 . 17006 1 1344 . 1 1 112 112 PRO HD2 H 1 3.164 0.000 . 2 . . . . 361 P HD2 . 17006 1 1345 . 1 1 112 112 PRO HD3 H 1 3.447 0.000 . 2 . . . . 361 P HD3 . 17006 1 1346 . 1 1 112 112 PRO HG2 H 1 1.854 0.000 . 2 . . . . 361 P HG2 . 17006 1 1347 . 1 1 112 112 PRO HG3 H 1 1.997 0.000 . 2 . . . . 361 P HG3 . 17006 1 1348 . 1 1 112 112 PRO C C 13 176.541 0.000 . 1 . . . . 361 P C . 17006 1 1349 . 1 1 112 112 PRO CA C 13 63.060 0.000 . 1 . . . . 361 P CA . 17006 1 1350 . 1 1 112 112 PRO CB C 13 31.929 0.003 . 1 . . . . 361 P CB . 17006 1 1351 . 1 1 112 112 PRO CD C 13 50.252 0.002 . 1 . . . . 361 P CD . 17006 1 1352 . 1 1 112 112 PRO CG C 13 27.445 0.004 . 1 . . . . 361 P CG . 17006 1 1353 . 1 1 113 113 SER H H 1 8.367 0.000 . 1 . . . . 362 S HN . 17006 1 1354 . 1 1 113 113 SER HA H 1 4.397 0.000 . 1 . . . . 362 S HA . 17006 1 1355 . 1 1 113 113 SER HB2 H 1 3.850 0.000 . 2 . . . . 362 S QB . 17006 1 1356 . 1 1 113 113 SER HB3 H 1 3.850 0.000 . 2 . . . . 362 S QB . 17006 1 1357 . 1 1 113 113 SER C C 13 174.591 0.000 . 1 . . . . 362 S C . 17006 1 1358 . 1 1 113 113 SER CA C 13 58.360 0.000 . 1 . . . . 362 S CA . 17006 1 1359 . 1 1 113 113 SER CB C 13 63.738 0.000 . 1 . . . . 362 S CB . 17006 1 1360 . 1 1 113 113 SER N N 15 115.793 0.000 . 1 . . . . 362 S N . 17006 1 1361 . 1 1 114 114 ARG H H 1 8.426 0.000 . 1 . . . . 363 R HN . 17006 1 1362 . 1 1 114 114 ARG HA H 1 4.393 0.000 . 1 . . . . 363 R HA . 17006 1 1363 . 1 1 114 114 ARG HB2 H 1 1.749 0.000 . 2 . . . . 363 R HB2 . 17006 1 1364 . 1 1 114 114 ARG HB3 H 1 1.891 0.000 . 2 . . . . 363 R HB3 . 17006 1 1365 . 1 1 114 114 ARG HD2 H 1 3.193 0.000 . 2 . . . . 363 R QD . 17006 1 1366 . 1 1 114 114 ARG HD3 H 1 3.193 0.000 . 2 . . . . 363 R QD . 17006 1 1367 . 1 1 114 114 ARG HG2 H 1 1.593 0.000 . 2 . . . . 363 R HG2 . 17006 1 1368 . 1 1 114 114 ARG HG3 H 1 1.655 0.000 . 2 . . . . 363 R HG3 . 17006 1 1369 . 1 1 114 114 ARG C C 13 176.064 0.000 . 1 . . . . 363 R C . 17006 1 1370 . 1 1 114 114 ARG CA C 13 55.874 0.000 . 1 . . . . 363 R CA . 17006 1 1371 . 1 1 114 114 ARG CB C 13 30.727 0.004 . 1 . . . . 363 R CB . 17006 1 1372 . 1 1 114 114 ARG CD C 13 43.240 0.000 . 1 . . . . 363 R CD . 17006 1 1373 . 1 1 114 114 ARG CG C 13 27.036 0.000 . 1 . . . . 363 R CG . 17006 1 1374 . 1 1 114 114 ARG N N 15 123.034 0.000 . 1 . . . . 363 R N . 17006 1 1375 . 1 1 115 115 LEU H H 1 8.263 0.000 . 1 . . . . 364 L HN . 17006 1 1376 . 1 1 115 115 LEU HA H 1 4.369 0.000 . 1 . . . . 364 L HA . 17006 1 1377 . 1 1 115 115 LEU HB2 H 1 1.608 0.000 . 2 . . . . 364 L HB2 . 17006 1 1378 . 1 1 115 115 LEU HB3 H 1 1.636 0.000 . 2 . . . . 364 L HB3 . 17006 1 1379 . 1 1 115 115 LEU HD11 H 1 0.872 0.000 . . . . . . 364 L QD1 . 17006 1 1380 . 1 1 115 115 LEU HD12 H 1 0.872 0.000 . . . . . . 364 L QD1 . 17006 1 1381 . 1 1 115 115 LEU HD13 H 1 0.872 0.000 . . . . . . 364 L QD1 . 17006 1 1382 . 1 1 115 115 LEU HD21 H 1 0.930 0.000 . . . . . . 364 L QD2 . 17006 1 1383 . 1 1 115 115 LEU HD22 H 1 0.930 0.000 . . . . . . 364 L QD2 . 17006 1 1384 . 1 1 115 115 LEU HD23 H 1 0.930 0.000 . . . . . . 364 L QD2 . 17006 1 1385 . 1 1 115 115 LEU C C 13 177.278 0.000 . 1 . . . . 364 L C . 17006 1 1386 . 1 1 115 115 LEU CA C 13 55.258 0.000 . 1 . . . . 364 L CA . 17006 1 1387 . 1 1 115 115 LEU CB C 13 42.347 0.002 . 1 . . . . 364 L CB . 17006 1 1388 . 1 1 115 115 LEU CD1 C 13 23.400 0.000 . 2 . . . . 364 L CD1 . 17006 1 1389 . 1 1 115 115 LEU CD2 C 13 24.960 0.000 . 2 . . . . 364 L CD2 . 17006 1 1390 . 1 1 115 115 LEU N N 15 123.011 0.000 . 1 . . . . 364 L N . 17006 1 1391 . 1 1 116 116 SER H H 1 8.232 0.000 . 1 . . . . 365 S HN . 17006 1 1392 . 1 1 116 116 SER HA H 1 4.438 0.000 . 1 . . . . 365 S HA . 17006 1 1393 . 1 1 116 116 SER HB2 H 1 3.861 0.000 . 2 . . . . 365 S QB . 17006 1 1394 . 1 1 116 116 SER HB3 H 1 3.861 0.000 . 2 . . . . 365 S QB . 17006 1 1395 . 1 1 116 116 SER C C 13 173.904 0.000 . 1 . . . . 365 S C . 17006 1 1396 . 1 1 116 116 SER CA C 13 58.107 0.000 . 1 . . . . 365 S CA . 17006 1 1397 . 1 1 116 116 SER CB C 13 63.896 0.000 . 1 . . . . 365 S CB . 17006 1 1398 . 1 1 116 116 SER N N 15 116.166 0.000 . 1 . . . . 365 S N . 17006 1 1399 . 1 1 117 117 ALA H H 1 8.345 0.000 . 1 . . . . 366 A HN . 17006 1 1400 . 1 1 117 117 ALA HA H 1 4.382 0.000 . 1 . . . . 366 A HA . 17006 1 1401 . 1 1 117 117 ALA HB1 H 1 1.397 0.000 . . . . . . 366 A QB . 17006 1 1402 . 1 1 117 117 ALA HB2 H 1 1.397 0.000 . . . . . . 366 A QB . 17006 1 1403 . 1 1 117 117 ALA HB3 H 1 1.397 0.000 . . . . . . 366 A QB . 17006 1 1404 . 1 1 117 117 ALA C C 13 176.605 0.000 . 1 . . . . 366 A C . 17006 1 1405 . 1 1 117 117 ALA CA C 13 52.442 0.000 . 1 . . . . 366 A CA . 17006 1 1406 . 1 1 117 117 ALA CB C 13 19.434 0.000 . 1 . . . . 366 A CB . 17006 1 1407 . 1 1 117 117 ALA N N 15 126.421 0.000 . 1 . . . . 366 A N . 17006 1 1408 . 1 1 118 118 GLU H H 1 7.926 0.000 . 1 . . . . 367 E HN . 17006 1 1409 . 1 1 118 118 GLU HA H 1 4.105 0.000 . 1 . . . . 367 E HA . 17006 1 1410 . 1 1 118 118 GLU HB2 H 1 1.877 0.000 . 2 . . . . 367 E HB2 . 17006 1 1411 . 1 1 118 118 GLU HB3 H 1 2.044 0.000 . 2 . . . . 367 E HB3 . 17006 1 1412 . 1 1 118 118 GLU HG2 H 1 2.198 0.000 . 2 . . . . 367 E QG . 17006 1 1413 . 1 1 118 118 GLU HG3 H 1 2.198 0.000 . 2 . . . . 367 E QG . 17006 1 1414 . 1 1 118 118 GLU CA C 13 58.012 0.000 . 1 . . . . 367 E CA . 17006 1 1415 . 1 1 118 118 GLU CB C 13 31.206 0.001 . 1 . . . . 367 E CB . 17006 1 1416 . 1 1 118 118 GLU CG C 13 36.720 0.000 . 1 . . . . 367 E CG . 17006 1 1417 . 1 1 118 118 GLU N N 15 124.872 0.000 . 1 . . . . 367 E N . 17006 1 stop_ save_