data_17007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17007 _Entry.Title ; Solution structure of alpha-mannosidase binding domain of Atg34 ; _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 'NMR, 20 STRUCTURES' _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 . . . 17007 2 'Nobuo N' Noda . . . 17007 3 Hiroyuki Kumeta . . . 17007 4 Kuninori Suzuki . . . 17007 5 Yoshinori Ohsumi . . . 17007 6 Fuyuhiko Inagaki . . . 17007 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' . 17007 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha-mannosidase . 17007 Atg19 . 17007 Atg34 . 17007 'Selective autophagy' . 17007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 17007 '15N chemical shifts' 106 17007 '1H chemical shifts' 742 17007 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' 17007 1 . . 2010-08-12 2010-06-18 original author 'original release' 17007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17006 'Alpha-mannosidase binding domain of ATG19' 17007 PDB 2KZK 'BMRB Entry Tracking System' 17007 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17007 _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 . . . 17007 1 2 Nobuo Noda . N. . 17007 1 3 Hiroyuki Kumeta . . . 17007 1 4 Kuninori Suzuki . . . 17007 1 5 Yoshinori Ohsumi . . . 17007 1 6 Fuyuhiko Inagaki . . . 17007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17007 _Assembly.ID 1 _Assembly.Name Alpha-mannosidase_binding_domain_of_Atg34 _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 Alpha-mannosidase_binding_domain_of_Atg34 1 $Alpha-mannosidase_binding_domain_of_Atg34 A . yes native no no . . . 17007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alpha-mannosidase_binding_domain_of_Atg34 _Entity.Sf_category entity _Entity.Sf_framecode Alpha-mannosidase_binding_domain_of_Atg34 _Entity.Entry_ID 17007 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Alpha-mannosidase_binding_domain_of_Atg34 _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 ; GPHMNDPLLHVEVSNEDNSL HFILYNKTNIIIPGNCTFEF SSQISEVFSIKMGPHEIGIK GQKELWFFPSLPTPLSNYTM KVVNQDGETILVGKCADSNE ITLKSPL ; _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 107 _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 2KZK . "Solution Structure Of Alpha-mannosidase Binding Domain Of Atg34" . . . . . 100.00 107 100.00 100.00 5.28e-71 . . . . 17007 1 2 no DBJ GAA26245 . "K7_Yol083wp [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.26 412 100.00 100.00 6.94e-65 . . . . 17007 1 3 no EMBL CAA58197 . "orf 00957 [Saccharomyces cerevisiae]" . . . . . 96.26 412 100.00 100.00 6.79e-65 . . . . 17007 1 4 no EMBL CAA99095 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 96.26 412 100.00 100.00 6.79e-65 . . . . 17007 1 5 no EMBL CAY86209 . "EC1118_1O4_0903p [Saccharomyces cerevisiae EC1118]" . . . . . 96.26 412 98.06 100.00 9.45e-64 . . . . 17007 1 6 no GB AHY77231 . "Atg34p [Saccharomyces cerevisiae YJM993]" . . . . . 96.26 412 98.06 100.00 9.45e-64 . . . . 17007 1 7 no GB AJP41463 . "Atg34p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.26 412 98.06 100.00 9.45e-64 . . . . 17007 1 8 no GB AJT70882 . "Atg34p [Saccharomyces cerevisiae YJM189]" . . . . . 96.26 412 98.06 100.00 6.09e-64 . . . . 17007 1 9 no GB AJT71373 . "Atg34p [Saccharomyces cerevisiae YJM193]" . . . . . 96.26 412 98.06 100.00 9.05e-64 . . . . 17007 1 10 no GB AJT71861 . "Atg34p [Saccharomyces cerevisiae YJM195]" . . . . . 96.26 412 99.03 100.00 1.92e-64 . . . . 17007 1 11 no REF NP_014558 . "Atg34p [Saccharomyces cerevisiae S288c]" . . . . . 96.26 412 100.00 100.00 6.79e-65 . . . . 17007 1 12 no SP Q12292 . "RecName: Full=Autophagy-related protein 34" . . . . . 96.26 412 100.00 100.00 6.79e-65 . . . . 17007 1 13 no TPG DAA10701 . "TPA: Atg34p [Saccharomyces cerevisiae S288c]" . . . . . 96.26 412 100.00 100.00 6.79e-65 . . . . 17007 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 1 246 GLY . 17007 1 2 247 PRO . 17007 1 3 248 HIS . 17007 1 4 249 MET . 17007 1 5 250 ASN . 17007 1 6 251 ASP . 17007 1 7 252 PRO . 17007 1 8 253 LEU . 17007 1 9 254 LEU . 17007 1 10 255 HIS . 17007 1 11 256 VAL . 17007 1 12 257 GLU . 17007 1 13 258 VAL . 17007 1 14 259 SER . 17007 1 15 260 ASN . 17007 1 16 261 GLU . 17007 1 17 262 ASP . 17007 1 18 263 ASN . 17007 1 19 264 SER . 17007 1 20 265 LEU . 17007 1 21 266 HIS . 17007 1 22 267 PHE . 17007 1 23 268 ILE . 17007 1 24 269 LEU . 17007 1 25 270 TYR . 17007 1 26 271 ASN . 17007 1 27 272 LYS . 17007 1 28 273 THR . 17007 1 29 274 ASN . 17007 1 30 275 ILE . 17007 1 31 276 ILE . 17007 1 32 277 ILE . 17007 1 33 278 PRO . 17007 1 34 279 GLY . 17007 1 35 280 ASN . 17007 1 36 281 CYS . 17007 1 37 282 THR . 17007 1 38 283 PHE . 17007 1 39 284 GLU . 17007 1 40 285 PHE . 17007 1 41 286 SER . 17007 1 42 287 SER . 17007 1 43 288 GLN . 17007 1 44 289 ILE . 17007 1 45 290 SER . 17007 1 46 291 GLU . 17007 1 47 292 VAL . 17007 1 48 293 PHE . 17007 1 49 294 SER . 17007 1 50 295 ILE . 17007 1 51 296 LYS . 17007 1 52 297 MET . 17007 1 53 298 GLY . 17007 1 54 299 PRO . 17007 1 55 300 HIS . 17007 1 56 301 GLU . 17007 1 57 302 ILE . 17007 1 58 303 GLY . 17007 1 59 304 ILE . 17007 1 60 305 LYS . 17007 1 61 306 GLY . 17007 1 62 307 GLN . 17007 1 63 308 LYS . 17007 1 64 309 GLU . 17007 1 65 310 LEU . 17007 1 66 311 TRP . 17007 1 67 312 PHE . 17007 1 68 313 PHE . 17007 1 69 314 PRO . 17007 1 70 315 SER . 17007 1 71 316 LEU . 17007 1 72 317 PRO . 17007 1 73 318 THR . 17007 1 74 319 PRO . 17007 1 75 320 LEU . 17007 1 76 321 SER . 17007 1 77 322 ASN . 17007 1 78 323 TYR . 17007 1 79 324 THR . 17007 1 80 325 MET . 17007 1 81 326 LYS . 17007 1 82 327 VAL . 17007 1 83 328 VAL . 17007 1 84 329 ASN . 17007 1 85 330 GLN . 17007 1 86 331 ASP . 17007 1 87 332 GLY . 17007 1 88 333 GLU . 17007 1 89 334 THR . 17007 1 90 335 ILE . 17007 1 91 336 LEU . 17007 1 92 337 VAL . 17007 1 93 338 GLY . 17007 1 94 339 LYS . 17007 1 95 340 CYS . 17007 1 96 341 ALA . 17007 1 97 342 ASP . 17007 1 98 343 SER . 17007 1 99 344 ASN . 17007 1 100 345 GLU . 17007 1 101 346 ILE . 17007 1 102 347 THR . 17007 1 103 348 LEU . 17007 1 104 349 LYS . 17007 1 105 350 SER . 17007 1 106 351 PRO . 17007 1 107 352 LEU . 17007 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 17007 1 . PRO 2 2 17007 1 . HIS 3 3 17007 1 . MET 4 4 17007 1 . ASN 5 5 17007 1 . ASP 6 6 17007 1 . PRO 7 7 17007 1 . LEU 8 8 17007 1 . LEU 9 9 17007 1 . HIS 10 10 17007 1 . VAL 11 11 17007 1 . GLU 12 12 17007 1 . VAL 13 13 17007 1 . SER 14 14 17007 1 . ASN 15 15 17007 1 . GLU 16 16 17007 1 . ASP 17 17 17007 1 . ASN 18 18 17007 1 . SER 19 19 17007 1 . LEU 20 20 17007 1 . HIS 21 21 17007 1 . PHE 22 22 17007 1 . ILE 23 23 17007 1 . LEU 24 24 17007 1 . TYR 25 25 17007 1 . ASN 26 26 17007 1 . LYS 27 27 17007 1 . THR 28 28 17007 1 . ASN 29 29 17007 1 . ILE 30 30 17007 1 . ILE 31 31 17007 1 . ILE 32 32 17007 1 . PRO 33 33 17007 1 . GLY 34 34 17007 1 . ASN 35 35 17007 1 . CYS 36 36 17007 1 . THR 37 37 17007 1 . PHE 38 38 17007 1 . GLU 39 39 17007 1 . PHE 40 40 17007 1 . SER 41 41 17007 1 . SER 42 42 17007 1 . GLN 43 43 17007 1 . ILE 44 44 17007 1 . SER 45 45 17007 1 . GLU 46 46 17007 1 . VAL 47 47 17007 1 . PHE 48 48 17007 1 . SER 49 49 17007 1 . ILE 50 50 17007 1 . LYS 51 51 17007 1 . MET 52 52 17007 1 . GLY 53 53 17007 1 . PRO 54 54 17007 1 . HIS 55 55 17007 1 . GLU 56 56 17007 1 . ILE 57 57 17007 1 . GLY 58 58 17007 1 . ILE 59 59 17007 1 . LYS 60 60 17007 1 . GLY 61 61 17007 1 . GLN 62 62 17007 1 . LYS 63 63 17007 1 . GLU 64 64 17007 1 . LEU 65 65 17007 1 . TRP 66 66 17007 1 . PHE 67 67 17007 1 . PHE 68 68 17007 1 . PRO 69 69 17007 1 . SER 70 70 17007 1 . LEU 71 71 17007 1 . PRO 72 72 17007 1 . THR 73 73 17007 1 . PRO 74 74 17007 1 . LEU 75 75 17007 1 . SER 76 76 17007 1 . ASN 77 77 17007 1 . TYR 78 78 17007 1 . THR 79 79 17007 1 . MET 80 80 17007 1 . LYS 81 81 17007 1 . VAL 82 82 17007 1 . VAL 83 83 17007 1 . ASN 84 84 17007 1 . GLN 85 85 17007 1 . ASP 86 86 17007 1 . GLY 87 87 17007 1 . GLU 88 88 17007 1 . THR 89 89 17007 1 . ILE 90 90 17007 1 . LEU 91 91 17007 1 . VAL 92 92 17007 1 . GLY 93 93 17007 1 . LYS 94 94 17007 1 . CYS 95 95 17007 1 . ALA 96 96 17007 1 . ASP 97 97 17007 1 . SER 98 98 17007 1 . ASN 99 99 17007 1 . GLU 100 100 17007 1 . ILE 101 101 17007 1 . THR 102 102 17007 1 . LEU 103 103 17007 1 . LYS 104 104 17007 1 . SER 105 105 17007 1 . PRO 106 106 17007 1 . LEU 107 107 17007 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 17007 _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 $Alpha-mannosidase_binding_domain_of_Atg34 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17007 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 17007 _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 $Alpha-mannosidase_binding_domain_of_Atg34 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 17007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17007 _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 . . . . 17007 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17007 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17007 1 4 'Alpha-mannosidase binding domain of Atg34' '[U-99% 13C; U-99% 15N]' . . 1 $Alpha-mannosidase_binding_domain_of_Atg34 . . 0.7 . . mM . . . . 17007 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17007 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17007 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 17007 _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 17007 1 pressure 1 . atm 17007 1 temperature 298 . K 17007 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17007 _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' . . 17007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17007 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17007 _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' . . 17007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17007 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17007 _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 . . 17007 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17007 3 'peak picking' 17007 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17007 _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 . . 17007 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17007 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 17007 _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 17007 _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 17007 _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 . . . 17007 1 2 spectrometer_2 Varian INOVA . 800 . . . 17007 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 17007 _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 . . . . . . . . . . . . . . . . 17007 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 7 '3D HN(CO)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17007 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 1 13 '2D (Hb)Cb(CgCd)Hd' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 1 14 '2D (Hb)Cb(CgCdCe)He' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17007 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 17007 _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 . indirect 0.251449530 . . . . . . . . . 17007 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17007 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17007 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 17007 _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' . . . 17007 1 2 '3D HNCO' . . . 17007 1 3 '3D HNCA' . . . 17007 1 4 '3D HN(CO)CA' . . . 17007 1 4 '3D HN(CO)CA' . . . 17007 1 5 '3D CBCA(CO)NH' . . . 17007 1 6 '3D HNCACB' . . . 17007 1 8 '3D HBHA(CO)NH' . . . 17007 1 9 '2D 1H-13C HSQC' . . . 17007 1 10 '3D HCCH-TOCSY' . . . 17007 1 11 '3D 1H-13C NOESY' . . . 17007 1 12 '3D 1H-15N NOESY' . . . 17007 1 13 '2D (Hb)Cb(CgCd)Hd' . . . 17007 1 14 '2D (Hb)Cb(CgCdCe)He' . . . 17007 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 ASN HA H 1 4.766 0.002 . 1 . . . . 246 N HA . 17007 1 2 . 1 1 5 5 ASN HB2 H 1 2.743 0.000 . 2 . . . . 246 N HB2 . 17007 1 3 . 1 1 5 5 ASN HB3 H 1 2.875 0.000 . 2 . . . . 246 N HB3 . 17007 1 4 . 1 1 5 5 ASN HD21 H 1 6.966 0.002 . 2 . . . . 246 N HD21 . 17007 1 5 . 1 1 5 5 ASN HD22 H 1 7.622 0.003 . 2 . . . . 246 N HD22 . 17007 1 6 . 1 1 5 5 ASN C C 13 174.510 0.000 . 1 . . . . 246 N C . 17007 1 7 . 1 1 5 5 ASN CA C 13 53.221 0.020 . 1 . . . . 246 N CA . 17007 1 8 . 1 1 5 5 ASN CB C 13 39.207 0.035 . 1 . . . . 246 N CB . 17007 1 9 . 1 1 5 5 ASN CG C 13 177.129 0.008 . 1 . . . . 246 N CG . 17007 1 10 . 1 1 5 5 ASN ND2 N 15 113.006 0.002 . 1 . . . . 246 N ND2 . 17007 1 11 . 1 1 6 6 ASP H H 1 8.220 0.000 . 1 . . . . 247 D HN . 17007 1 12 . 1 1 6 6 ASP HA H 1 4.905 0.001 . 1 . . . . 247 D HA . 17007 1 13 . 1 1 6 6 ASP HB2 H 1 2.483 0.000 . 2 . . . . 247 D HB2 . 17007 1 14 . 1 1 6 6 ASP HB3 H 1 2.708 0.000 . 2 . . . . 247 D HB3 . 17007 1 15 . 1 1 6 6 ASP CA C 13 52.755 0.019 . 1 . . . . 247 D CA . 17007 1 16 . 1 1 6 6 ASP CB C 13 40.708 0.016 . 1 . . . . 247 D CB . 17007 1 17 . 1 1 6 6 ASP N N 15 121.733 0.000 . 1 . . . . 247 D N . 17007 1 18 . 1 1 7 7 PRO HA H 1 4.792 0.002 . 1 . . . . 248 P HA . 17007 1 19 . 1 1 7 7 PRO HB2 H 1 2.016 0.000 . 2 . . . . 248 P HB2 . 17007 1 20 . 1 1 7 7 PRO HB3 H 1 2.203 0.000 . 2 . . . . 248 P HB3 . 17007 1 21 . 1 1 7 7 PRO HD2 H 1 3.791 0.000 . 2 . . . . 248 P HD2 . 17007 1 22 . 1 1 7 7 PRO HD3 H 1 3.808 0.000 . 2 . . . . 248 P HD3 . 17007 1 23 . 1 1 7 7 PRO HG2 H 1 2.109 0.000 . 2 . . . . 248 P HG2 . 17007 1 24 . 1 1 7 7 PRO HG3 H 1 2.262 0.000 . 2 . . . . 248 P HG3 . 17007 1 25 . 1 1 7 7 PRO C C 13 176.161 0.000 . 1 . . . . 248 P C . 17007 1 26 . 1 1 7 7 PRO CA C 13 62.838 0.007 . 1 . . . . 248 P CA . 17007 1 27 . 1 1 7 7 PRO CB C 13 31.694 0.060 . 1 . . . . 248 P CB . 17007 1 28 . 1 1 7 7 PRO CD C 13 50.413 0.000 . 1 . . . . 248 P CD . 17007 1 29 . 1 1 7 7 PRO CG C 13 27.837 0.004 . 1 . . . . 248 P CG . 17007 1 30 . 1 1 8 8 LEU H H 1 7.447 0.000 . 1 . . . . 249 L HN . 17007 1 31 . 1 1 8 8 LEU HA H 1 4.794 0.003 . 1 . . . . 249 L HA . 17007 1 32 . 1 1 8 8 LEU HB2 H 1 1.466 0.000 . 2 . . . . 249 L HB2 . 17007 1 33 . 1 1 8 8 LEU HB3 H 1 1.476 0.000 . 2 . . . . 249 L HB3 . 17007 1 34 . 1 1 8 8 LEU HD11 H 1 0.885 0.000 . . . . . . 249 L QD1 . 17007 1 35 . 1 1 8 8 LEU HD12 H 1 0.885 0.000 . . . . . . 249 L QD1 . 17007 1 36 . 1 1 8 8 LEU HD13 H 1 0.885 0.000 . . . . . . 249 L QD1 . 17007 1 37 . 1 1 8 8 LEU HD21 H 1 0.863 0.000 . . . . . . 249 L QD2 . 17007 1 38 . 1 1 8 8 LEU HD22 H 1 0.863 0.000 . . . . . . 249 L QD2 . 17007 1 39 . 1 1 8 8 LEU HD23 H 1 0.863 0.000 . . . . . . 249 L QD2 . 17007 1 40 . 1 1 8 8 LEU HG H 1 1.624 0.000 . 1 . . . . 249 L HG . 17007 1 41 . 1 1 8 8 LEU C C 13 174.251 0.000 . 1 . . . . 249 L C . 17007 1 42 . 1 1 8 8 LEU CA C 13 54.503 0.035 . 1 . . . . 249 L CA . 17007 1 43 . 1 1 8 8 LEU CB C 13 45.018 0.006 . 1 . . . . 249 L CB . 17007 1 44 . 1 1 8 8 LEU CD1 C 13 25.338 0.000 . 2 . . . . 249 L CD1 . 17007 1 45 . 1 1 8 8 LEU CD2 C 13 25.791 0.000 . 2 . . . . 249 L CD2 . 17007 1 46 . 1 1 8 8 LEU CG C 13 25.621 0.000 . 1 . . . . 249 L CG . 17007 1 47 . 1 1 8 8 LEU N N 15 123.064 0.000 . 1 . . . . 249 L N . 17007 1 48 . 1 1 9 9 LEU H H 1 8.953 0.000 . 1 . . . . 250 L HN . 17007 1 49 . 1 1 9 9 LEU HA H 1 5.026 0.008 . 1 . . . . 250 L HA . 17007 1 50 . 1 1 9 9 LEU HB2 H 1 1.335 0.000 . 2 . . . . 250 L HB2 . 17007 1 51 . 1 1 9 9 LEU HB3 H 1 1.852 0.000 . 2 . . . . 250 L HB3 . 17007 1 52 . 1 1 9 9 LEU HD11 H 1 0.802 0.000 . . . . . . 250 L QD1 . 17007 1 53 . 1 1 9 9 LEU HD12 H 1 0.802 0.000 . . . . . . 250 L QD1 . 17007 1 54 . 1 1 9 9 LEU HD13 H 1 0.802 0.000 . . . . . . 250 L QD1 . 17007 1 55 . 1 1 9 9 LEU HD21 H 1 0.793 0.000 . . . . . . 250 L QD2 . 17007 1 56 . 1 1 9 9 LEU HD22 H 1 0.793 0.000 . . . . . . 250 L QD2 . 17007 1 57 . 1 1 9 9 LEU HD23 H 1 0.793 0.000 . . . . . . 250 L QD2 . 17007 1 58 . 1 1 9 9 LEU HG H 1 1.512 0.000 . 1 . . . . 250 L HG . 17007 1 59 . 1 1 9 9 LEU C C 13 174.630 0.000 . 1 . . . . 250 L C . 17007 1 60 . 1 1 9 9 LEU CA C 13 53.658 0.024 . 1 . . . . 250 L CA . 17007 1 61 . 1 1 9 9 LEU CB C 13 44.998 0.056 . 1 . . . . 250 L CB . 17007 1 62 . 1 1 9 9 LEU CD1 C 13 24.150 0.000 . 2 . . . . 250 L CD1 . 17007 1 63 . 1 1 9 9 LEU CD2 C 13 27.019 0.000 . 2 . . . . 250 L CD2 . 17007 1 64 . 1 1 9 9 LEU CG C 13 26.988 0.000 . 1 . . . . 250 L CG . 17007 1 65 . 1 1 9 9 LEU N N 15 121.734 0.000 . 1 . . . . 250 L N . 17007 1 66 . 1 1 10 10 HIS H H 1 8.863 0.000 . 1 . . . . 251 H HN . 17007 1 67 . 1 1 10 10 HIS HA H 1 5.039 0.006 . 1 . . . . 251 H HA . 17007 1 68 . 1 1 10 10 HIS HB2 H 1 3.063 0.000 . 2 . . . . 251 H HB2 . 17007 1 69 . 1 1 10 10 HIS HB3 H 1 3.287 0.000 . 2 . . . . 251 H HB3 . 17007 1 70 . 1 1 10 10 HIS HD2 H 1 6.856 0.002 . 1 . . . . 251 H HD2 . 17007 1 71 . 1 1 10 10 HIS C C 13 173.910 0.000 . 1 . . . . 251 H C . 17007 1 72 . 1 1 10 10 HIS CA C 13 55.983 0.018 . 1 . . . . 251 H CA . 17007 1 73 . 1 1 10 10 HIS CB C 13 32.794 0.061 . 1 . . . . 251 H CB . 17007 1 74 . 1 1 10 10 HIS CD2 C 13 119.397 0.000 . 1 . . . . 251 H CD2 . 17007 1 75 . 1 1 10 10 HIS N N 15 128.669 0.000 . 1 . . . . 251 H N . 17007 1 76 . 1 1 11 11 VAL H H 1 9.152 0.000 . 1 . . . . 252 V HN . 17007 1 77 . 1 1 11 11 VAL HA H 1 5.124 0.009 . 1 . . . . 252 V HA . 17007 1 78 . 1 1 11 11 VAL HB H 1 2.012 0.000 . 1 . . . . 252 V HB . 17007 1 79 . 1 1 11 11 VAL HG11 H 1 0.821 0.000 . . . . . . 252 V QG1 . 17007 1 80 . 1 1 11 11 VAL HG12 H 1 0.821 0.000 . . . . . . 252 V QG1 . 17007 1 81 . 1 1 11 11 VAL HG13 H 1 0.821 0.000 . . . . . . 252 V QG1 . 17007 1 82 . 1 1 11 11 VAL HG21 H 1 0.811 0.000 . . . . . . 252 V QG2 . 17007 1 83 . 1 1 11 11 VAL HG22 H 1 0.811 0.000 . . . . . . 252 V QG2 . 17007 1 84 . 1 1 11 11 VAL HG23 H 1 0.811 0.000 . . . . . . 252 V QG2 . 17007 1 85 . 1 1 11 11 VAL C C 13 174.518 0.000 . 1 . . . . 252 V C . 17007 1 86 . 1 1 11 11 VAL CA C 13 60.599 0.030 . 1 . . . . 252 V CA . 17007 1 87 . 1 1 11 11 VAL CB C 13 34.432 0.018 . 1 . . . . 252 V CB . 17007 1 88 . 1 1 11 11 VAL CG1 C 13 21.891 0.000 . 2 . . . . 252 V CG1 . 17007 1 89 . 1 1 11 11 VAL CG2 C 13 22.422 0.000 . 2 . . . . 252 V CG2 . 17007 1 90 . 1 1 11 11 VAL N N 15 125.800 0.000 . 1 . . . . 252 V N . 17007 1 91 . 1 1 12 12 GLU H H 1 8.932 0.000 . 1 . . . . 253 E HN . 17007 1 92 . 1 1 12 12 GLU HA H 1 5.252 0.019 . 1 . . . . 253 E HA . 17007 1 93 . 1 1 12 12 GLU HB2 H 1 1.926 0.000 . 2 . . . . 253 E HB2 . 17007 1 94 . 1 1 12 12 GLU HB3 H 1 2.000 0.000 . 2 . . . . 253 E HB3 . 17007 1 95 . 1 1 12 12 GLU HG2 H 1 2.165 0.000 . 2 . . . . 253 E HG2 . 17007 1 96 . 1 1 12 12 GLU HG3 H 1 2.273 0.000 . 2 . . . . 253 E HG3 . 17007 1 97 . 1 1 12 12 GLU C C 13 175.629 0.000 . 1 . . . . 253 E C . 17007 1 98 . 1 1 12 12 GLU CA C 13 54.249 0.025 . 1 . . . . 253 E CA . 17007 1 99 . 1 1 12 12 GLU CB C 13 32.794 0.089 . 1 . . . . 253 E CB . 17007 1 100 . 1 1 12 12 GLU CG C 13 36.467 0.002 . 1 . . . . 253 E CG . 17007 1 101 . 1 1 12 12 GLU N N 15 126.016 0.000 . 1 . . . . 253 E N . 17007 1 102 . 1 1 13 13 VAL H H 1 8.594 0.000 . 1 . . . . 254 V HN . 17007 1 103 . 1 1 13 13 VAL HA H 1 4.565 0.004 . 1 . . . . 254 V HA . 17007 1 104 . 1 1 13 13 VAL HB H 1 1.576 0.000 . 1 . . . . 254 V HB . 17007 1 105 . 1 1 13 13 VAL HG11 H 1 0.382 0.000 . . . . . . 254 V QG1 . 17007 1 106 . 1 1 13 13 VAL HG12 H 1 0.382 0.000 . . . . . . 254 V QG1 . 17007 1 107 . 1 1 13 13 VAL HG13 H 1 0.382 0.000 . . . . . . 254 V QG1 . 17007 1 108 . 1 1 13 13 VAL HG21 H 1 0.419 0.000 . . . . . . 254 V QG2 . 17007 1 109 . 1 1 13 13 VAL HG22 H 1 0.419 0.000 . . . . . . 254 V QG2 . 17007 1 110 . 1 1 13 13 VAL HG23 H 1 0.419 0.000 . . . . . . 254 V QG2 . 17007 1 111 . 1 1 13 13 VAL C C 13 174.356 0.000 . 1 . . . . 254 V C . 17007 1 112 . 1 1 13 13 VAL CA C 13 60.276 0.021 . 1 . . . . 254 V CA . 17007 1 113 . 1 1 13 13 VAL CB C 13 34.325 0.035 . 1 . . . . 254 V CB . 17007 1 114 . 1 1 13 13 VAL CG1 C 13 20.758 0.000 . 2 . . . . 254 V CG1 . 17007 1 115 . 1 1 13 13 VAL CG2 C 13 22.013 0.000 . 2 . . . . 254 V CG2 . 17007 1 116 . 1 1 13 13 VAL N N 15 124.675 0.000 . 1 . . . . 254 V N . 17007 1 117 . 1 1 14 14 SER H H 1 8.525 0.000 . 1 . . . . 255 S HN . 17007 1 118 . 1 1 14 14 SER HA H 1 4.593 0.009 . 1 . . . . 255 S HA . 17007 1 119 . 1 1 14 14 SER HB2 H 1 3.764 0.000 . 2 . . . . 255 S HB2 . 17007 1 120 . 1 1 14 14 SER HB3 H 1 3.803 0.000 . 2 . . . . 255 S HB3 . 17007 1 121 . 1 1 14 14 SER C C 13 172.510 0.000 . 1 . . . . 255 S C . 17007 1 122 . 1 1 14 14 SER CA C 13 56.711 0.013 . 1 . . . . 255 S CA . 17007 1 123 . 1 1 14 14 SER CB C 13 65.495 0.046 . 1 . . . . 255 S CB . 17007 1 124 . 1 1 14 14 SER N N 15 118.993 0.000 . 1 . . . . 255 S N . 17007 1 125 . 1 1 15 15 ASN H H 1 8.606 0.000 . 1 . . . . 256 N HN . 17007 1 126 . 1 1 15 15 ASN HA H 1 5.312 0.020 . 1 . . . . 256 N HA . 17007 1 127 . 1 1 15 15 ASN HB2 H 1 2.572 0.000 . 2 . . . . 256 N HB2 . 17007 1 128 . 1 1 15 15 ASN HB3 H 1 2.803 0.000 . 2 . . . . 256 N HB3 . 17007 1 129 . 1 1 15 15 ASN HD21 H 1 6.915 0.004 . 2 . . . . 256 N HD21 . 17007 1 130 . 1 1 15 15 ASN HD22 H 1 7.284 0.002 . 2 . . . . 256 N HD22 . 17007 1 131 . 1 1 15 15 ASN C C 13 174.874 0.000 . 1 . . . . 256 N C . 17007 1 132 . 1 1 15 15 ASN CA C 13 52.975 0.017 . 1 . . . . 256 N CA . 17007 1 133 . 1 1 15 15 ASN CB C 13 40.070 0.040 . 1 . . . . 256 N CB . 17007 1 134 . 1 1 15 15 ASN CG C 13 176.622 0.005 . 1 . . . . 256 N CG . 17007 1 135 . 1 1 15 15 ASN N N 15 120.244 0.000 . 1 . . . . 256 N N . 17007 1 136 . 1 1 15 15 ASN ND2 N 15 111.855 0.000 . 1 . . . . 256 N ND2 . 17007 1 137 . 1 1 16 16 GLU H H 1 8.553 0.000 . 1 . . . . 257 E HN . 17007 1 138 . 1 1 16 16 GLU HA H 1 4.611 0.007 . 1 . . . . 257 E HA . 17007 1 139 . 1 1 16 16 GLU HB2 H 1 1.910 0.000 . 2 . . . . 257 E HB2 . 17007 1 140 . 1 1 16 16 GLU HB3 H 1 2.103 0.000 . 2 . . . . 257 E HB3 . 17007 1 141 . 1 1 16 16 GLU HG2 H 1 2.215 0.000 . 2 . . . . 257 E HG2 . 17007 1 142 . 1 1 16 16 GLU HG3 H 1 2.249 0.000 . 2 . . . . 257 E HG3 . 17007 1 143 . 1 1 16 16 GLU C C 13 175.388 0.000 . 1 . . . . 257 E C . 17007 1 144 . 1 1 16 16 GLU CA C 13 55.392 0.022 . 1 . . . . 257 E CA . 17007 1 145 . 1 1 16 16 GLU CB C 13 32.311 0.087 . 1 . . . . 257 E CB . 17007 1 146 . 1 1 16 16 GLU CG C 13 36.104 0.002 . 1 . . . . 257 E CG . 17007 1 147 . 1 1 16 16 GLU N N 15 123.648 0.000 . 1 . . . . 257 E N . 17007 1 148 . 1 1 17 17 ASP H H 1 9.147 0.000 . 1 . . . . 258 D HN . 17007 1 149 . 1 1 17 17 ASP HA H 1 4.303 0.014 . 1 . . . . 258 D HA . 17007 1 150 . 1 1 17 17 ASP HB2 H 1 2.645 0.000 . 2 . . . . 258 D HB2 . 17007 1 151 . 1 1 17 17 ASP HB3 H 1 2.899 0.000 . 2 . . . . 258 D HB3 . 17007 1 152 . 1 1 17 17 ASP C C 13 176.118 0.000 . 1 . . . . 258 D C . 17007 1 153 . 1 1 17 17 ASP CA C 13 56.135 0.030 . 1 . . . . 258 D CA . 17007 1 154 . 1 1 17 17 ASP CB C 13 39.593 0.079 . 1 . . . . 258 D CB . 17007 1 155 . 1 1 17 17 ASP N N 15 123.207 0.000 . 1 . . . . 258 D N . 17007 1 156 . 1 1 18 18 ASN H H 1 8.843 0.000 . 1 . . . . 259 N HN . 17007 1 157 . 1 1 18 18 ASN HA H 1 4.660 0.002 . 1 . . . . 259 N HA . 17007 1 158 . 1 1 18 18 ASN HB2 H 1 2.929 0.000 . 2 . . . . 259 N HB2 . 17007 1 159 . 1 1 18 18 ASN HB3 H 1 3.246 0.000 . 2 . . . . 259 N HB3 . 17007 1 160 . 1 1 18 18 ASN HD21 H 1 6.974 0.003 . 2 . . . . 259 N HD21 . 17007 1 161 . 1 1 18 18 ASN HD22 H 1 7.695 0.002 . 2 . . . . 259 N HD22 . 17007 1 162 . 1 1 18 18 ASN C C 13 173.648 0.000 . 1 . . . . 259 N C . 17007 1 163 . 1 1 18 18 ASN CA C 13 54.014 0.016 . 1 . . . . 259 N CA . 17007 1 164 . 1 1 18 18 ASN CB C 13 38.155 0.030 . 1 . . . . 259 N CB . 17007 1 165 . 1 1 18 18 ASN CG C 13 178.644 0.002 . 1 . . . . 259 N CG . 17007 1 166 . 1 1 18 18 ASN N N 15 115.204 0.000 . 1 . . . . 259 N N . 17007 1 167 . 1 1 18 18 ASN ND2 N 15 112.659 0.001 . 1 . . . . 259 N ND2 . 17007 1 168 . 1 1 19 19 SER H H 1 7.825 0.000 . 1 . . . . 260 S HN . 17007 1 169 . 1 1 19 19 SER HA H 1 5.003 0.008 . 1 . . . . 260 S HA . 17007 1 170 . 1 1 19 19 SER HB2 H 1 3.804 0.000 . 2 . . . . 260 S HB2 . 17007 1 171 . 1 1 19 19 SER HB3 H 1 3.965 0.000 . 2 . . . . 260 S HB3 . 17007 1 172 . 1 1 19 19 SER C C 13 173.599 0.000 . 1 . . . . 260 S C . 17007 1 173 . 1 1 19 19 SER CA C 13 57.805 0.023 . 1 . . . . 260 S CA . 17007 1 174 . 1 1 19 19 SER CB C 13 67.046 0.048 . 1 . . . . 260 S CB . 17007 1 175 . 1 1 19 19 SER N N 15 111.733 0.000 . 1 . . . . 260 S N . 17007 1 176 . 1 1 20 20 LEU H H 1 9.253 0.000 . 1 . . . . 261 L HN . 17007 1 177 . 1 1 20 20 LEU HA H 1 4.850 0.004 . 1 . . . . 261 L HA . 17007 1 178 . 1 1 20 20 LEU HB2 H 1 0.913 0.000 . 2 . . . . 261 L HB2 . 17007 1 179 . 1 1 20 20 LEU HB3 H 1 1.784 0.000 . 2 . . . . 261 L HB3 . 17007 1 180 . 1 1 20 20 LEU HD11 H 1 0.686 0.000 . . . . . . 261 L QD1 . 17007 1 181 . 1 1 20 20 LEU HD12 H 1 0.686 0.000 . . . . . . 261 L QD1 . 17007 1 182 . 1 1 20 20 LEU HD13 H 1 0.686 0.000 . . . . . . 261 L QD1 . 17007 1 183 . 1 1 20 20 LEU HD21 H 1 0.735 0.000 . . . . . . 261 L QD2 . 17007 1 184 . 1 1 20 20 LEU HD22 H 1 0.735 0.000 . . . . . . 261 L QD2 . 17007 1 185 . 1 1 20 20 LEU HD23 H 1 0.735 0.000 . . . . . . 261 L QD2 . 17007 1 186 . 1 1 20 20 LEU HG H 1 1.583 0.000 . 1 . . . . 261 L HG . 17007 1 187 . 1 1 20 20 LEU C C 13 174.266 0.000 . 1 . . . . 261 L C . 17007 1 188 . 1 1 20 20 LEU CA C 13 54.018 0.023 . 1 . . . . 261 L CA . 17007 1 189 . 1 1 20 20 LEU CB C 13 44.899 0.037 . 1 . . . . 261 L CB . 17007 1 190 . 1 1 20 20 LEU CD1 C 13 23.883 0.000 . 2 . . . . 261 L CD1 . 17007 1 191 . 1 1 20 20 LEU CD2 C 13 26.030 0.000 . 2 . . . . 261 L CD2 . 17007 1 192 . 1 1 20 20 LEU CG C 13 27.099 0.000 . 1 . . . . 261 L CG . 17007 1 193 . 1 1 20 20 LEU N N 15 119.526 0.000 . 1 . . . . 261 L N . 17007 1 194 . 1 1 21 21 HIS H H 1 8.700 0.000 . 1 . . . . 262 H HN . 17007 1 195 . 1 1 21 21 HIS HA H 1 4.704 0.001 . 1 . . . . 262 H HA . 17007 1 196 . 1 1 21 21 HIS HB2 H 1 2.259 0.000 . 2 . . . . 262 H HB2 . 17007 1 197 . 1 1 21 21 HIS HB3 H 1 3.082 0.000 . 2 . . . . 262 H HB3 . 17007 1 198 . 1 1 21 21 HIS HD2 H 1 5.656 0.002 . 1 . . . . 262 H HD2 . 17007 1 199 . 1 1 21 21 HIS C C 13 172.653 0.000 . 1 . . . . 262 H C . 17007 1 200 . 1 1 21 21 HIS CA C 13 51.204 0.020 . 1 . . . . 262 H CA . 17007 1 201 . 1 1 21 21 HIS CB C 13 30.760 0.068 . 1 . . . . 262 H CB . 17007 1 202 . 1 1 21 21 HIS CD2 C 13 116.728 0.000 . 1 . . . . 262 H CD2 . 17007 1 203 . 1 1 21 21 HIS N N 15 122.510 0.000 . 1 . . . . 262 H N . 17007 1 204 . 1 1 22 22 PHE H H 1 8.949 0.000 . 1 . . . . 263 F HN . 17007 1 205 . 1 1 22 22 PHE HA H 1 5.038 0.007 . 1 . . . . 263 F HA . 17007 1 206 . 1 1 22 22 PHE HB2 H 1 2.104 0.000 . 2 . . . . 263 F HB2 . 17007 1 207 . 1 1 22 22 PHE HB3 H 1 2.288 0.000 . 2 . . . . 263 F HB3 . 17007 1 208 . 1 1 22 22 PHE HD1 H 1 6.531 0.004 . 3 . . . . 263 F QD . 17007 1 209 . 1 1 22 22 PHE HD2 H 1 6.531 0.004 . 3 . . . . 263 F QD . 17007 1 210 . 1 1 22 22 PHE HE1 H 1 5.675 0.001 . 3 . . . . 263 F QE . 17007 1 211 . 1 1 22 22 PHE HE2 H 1 5.675 0.001 . 3 . . . . 263 F QE . 17007 1 212 . 1 1 22 22 PHE C C 13 174.876 0.000 . 1 . . . . 263 F C . 17007 1 213 . 1 1 22 22 PHE CA C 13 55.708 0.035 . 1 . . . . 263 F CA . 17007 1 214 . 1 1 22 22 PHE CB C 13 41.751 0.039 . 1 . . . . 263 F CB . 17007 1 215 . 1 1 22 22 PHE CD1 C 13 131.395 0.000 . 3 . . . . 263 F CD1 . 17007 1 216 . 1 1 22 22 PHE CE1 C 13 128.736 0.000 . 3 . . . . 263 F CE1 . 17007 1 217 . 1 1 22 22 PHE N N 15 124.343 0.000 . 1 . . . . 263 F N . 17007 1 218 . 1 1 23 23 ILE H H 1 8.759 0.000 . 1 . . . . 264 I HN . 17007 1 219 . 1 1 23 23 ILE HA H 1 4.269 0.012 . 1 . . . . 264 I HA . 17007 1 220 . 1 1 23 23 ILE HB H 1 1.492 0.000 . 1 . . . . 264 I HB . 17007 1 221 . 1 1 23 23 ILE HD11 H 1 0.489 0.000 . . . . . . 264 I QD1 . 17007 1 222 . 1 1 23 23 ILE HD12 H 1 0.489 0.000 . . . . . . 264 I QD1 . 17007 1 223 . 1 1 23 23 ILE HD13 H 1 0.489 0.000 . . . . . . 264 I QD1 . 17007 1 224 . 1 1 23 23 ILE HG12 H 1 0.455 0.000 . 2 . . . . 264 I HG12 . 17007 1 225 . 1 1 23 23 ILE HG13 H 1 0.903 0.000 . 2 . . . . 264 I HG13 . 17007 1 226 . 1 1 23 23 ILE HG21 H 1 0.368 0.000 . . . . . . 264 I QG2 . 17007 1 227 . 1 1 23 23 ILE HG22 H 1 0.368 0.000 . . . . . . 264 I QG2 . 17007 1 228 . 1 1 23 23 ILE HG23 H 1 0.368 0.000 . . . . . . 264 I QG2 . 17007 1 229 . 1 1 23 23 ILE C C 13 173.881 0.000 . 1 . . . . 264 I C . 17007 1 230 . 1 1 23 23 ILE CA C 13 61.442 0.024 . 1 . . . . 264 I CA . 17007 1 231 . 1 1 23 23 ILE CB C 13 39.389 0.055 . 1 . . . . 264 I CB . 17007 1 232 . 1 1 23 23 ILE CD1 C 13 13.196 0.000 . 1 . . . . 264 I CD1 . 17007 1 233 . 1 1 23 23 ILE CG1 C 13 27.224 0.002 . 1 . . . . 264 I CG1 . 17007 1 234 . 1 1 23 23 ILE CG2 C 13 17.528 0.000 . 1 . . . . 264 I CG2 . 17007 1 235 . 1 1 23 23 ILE N N 15 120.477 0.000 . 1 . . . . 264 I N . 17007 1 236 . 1 1 24 24 LEU H H 1 8.973 0.000 . 1 . . . . 265 L HN . 17007 1 237 . 1 1 24 24 LEU HA H 1 4.968 0.011 . 1 . . . . 265 L HA . 17007 1 238 . 1 1 24 24 LEU HB2 H 1 1.338 0.000 . 2 . . . . 265 L HB2 . 17007 1 239 . 1 1 24 24 LEU HB3 H 1 1.704 0.000 . 2 . . . . 265 L HB3 . 17007 1 240 . 1 1 24 24 LEU HD11 H 1 0.339 0.000 . . . . . . 265 L QD1 . 17007 1 241 . 1 1 24 24 LEU HD12 H 1 0.339 0.000 . . . . . . 265 L QD1 . 17007 1 242 . 1 1 24 24 LEU HD13 H 1 0.339 0.000 . . . . . . 265 L QD1 . 17007 1 243 . 1 1 24 24 LEU HD21 H 1 0.457 0.000 . . . . . . 265 L QD2 . 17007 1 244 . 1 1 24 24 LEU HD22 H 1 0.457 0.000 . . . . . . 265 L QD2 . 17007 1 245 . 1 1 24 24 LEU HD23 H 1 0.457 0.000 . . . . . . 265 L QD2 . 17007 1 246 . 1 1 24 24 LEU HG H 1 1.476 0.000 . 1 . . . . 265 L HG . 17007 1 247 . 1 1 24 24 LEU C C 13 175.616 0.000 . 1 . . . . 265 L C . 17007 1 248 . 1 1 24 24 LEU CA C 13 54.268 0.044 . 1 . . . . 265 L CA . 17007 1 249 . 1 1 24 24 LEU CB C 13 43.303 0.120 . 1 . . . . 265 L CB . 17007 1 250 . 1 1 24 24 LEU CD1 C 13 23.520 0.000 . 2 . . . . 265 L CD1 . 17007 1 251 . 1 1 24 24 LEU CD2 C 13 25.950 0.000 . 2 . . . . 265 L CD2 . 17007 1 252 . 1 1 24 24 LEU CG C 13 29.749 0.000 . 1 . . . . 265 L CG . 17007 1 253 . 1 1 24 24 LEU N N 15 128.655 0.000 . 1 . . . . 265 L N . 17007 1 254 . 1 1 25 25 TYR H H 1 9.475 0.000 . 1 . . . . 266 Y HN . 17007 1 255 . 1 1 25 25 TYR HA H 1 5.115 0.017 . 1 . . . . 266 Y HA . 17007 1 256 . 1 1 25 25 TYR HB2 H 1 3.024 0.000 . 2 . . . . 266 Y HB2 . 17007 1 257 . 1 1 25 25 TYR HB3 H 1 3.062 0.000 . 2 . . . . 266 Y HB3 . 17007 1 258 . 1 1 25 25 TYR HD1 H 1 7.021 0.001 . 3 . . . . 266 Y QD . 17007 1 259 . 1 1 25 25 TYR HD2 H 1 7.021 0.001 . 3 . . . . 266 Y QD . 17007 1 260 . 1 1 25 25 TYR HE1 H 1 6.616 0.002 . 3 . . . . 266 Y QE . 17007 1 261 . 1 1 25 25 TYR HE2 H 1 6.616 0.002 . 3 . . . . 266 Y QE . 17007 1 262 . 1 1 25 25 TYR C C 13 176.007 0.000 . 1 . . . . 266 Y C . 17007 1 263 . 1 1 25 25 TYR CA C 13 55.833 0.028 . 1 . . . . 266 Y CA . 17007 1 264 . 1 1 25 25 TYR CB C 13 39.930 0.046 . 1 . . . . 266 Y CB . 17007 1 265 . 1 1 25 25 TYR CD1 C 13 133.005 0.000 . 3 . . . . 266 Y CD1 . 17007 1 266 . 1 1 25 25 TYR CE1 C 13 118.004 0.000 . 3 . . . . 266 Y CE1 . 17007 1 267 . 1 1 25 25 TYR N N 15 119.541 0.000 . 1 . . . . 266 Y N . 17007 1 268 . 1 1 26 26 ASN H H 1 8.979 0.000 . 1 . . . . 267 N HN . 17007 1 269 . 1 1 26 26 ASN HA H 1 4.813 0.003 . 1 . . . . 267 N HA . 17007 1 270 . 1 1 26 26 ASN HB2 H 1 2.258 0.000 . 2 . . . . 267 N HB2 . 17007 1 271 . 1 1 26 26 ASN HB3 H 1 3.498 0.000 . 2 . . . . 267 N HB3 . 17007 1 272 . 1 1 26 26 ASN HD21 H 1 6.608 0.002 . 2 . . . . 267 N HD21 . 17007 1 273 . 1 1 26 26 ASN HD22 H 1 8.268 0.000 . 2 . . . . 267 N HD22 . 17007 1 274 . 1 1 26 26 ASN C C 13 174.491 0.000 . 1 . . . . 267 N C . 17007 1 275 . 1 1 26 26 ASN CA C 13 53.501 0.040 . 1 . . . . 267 N CA . 17007 1 276 . 1 1 26 26 ASN CB C 13 37.675 0.075 . 1 . . . . 267 N CB . 17007 1 277 . 1 1 26 26 ASN N N 15 122.002 0.000 . 1 . . . . 267 N N . 17007 1 278 . 1 1 26 26 ASN ND2 N 15 111.776 0.016 . 1 . . . . 267 N ND2 . 17007 1 279 . 1 1 27 27 LYS H H 1 8.009 0.000 . 1 . . . . 268 K HN . 17007 1 280 . 1 1 27 27 LYS HA H 1 4.793 0.004 . 1 . . . . 268 K HA . 17007 1 281 . 1 1 27 27 LYS HB2 H 1 2.029 0.000 . 2 . . . . 268 K HB2 . 17007 1 282 . 1 1 27 27 LYS HB3 H 1 2.301 0.000 . 2 . . . . 268 K HB3 . 17007 1 283 . 1 1 27 27 LYS HD2 H 1 1.566 0.000 . 2 . . . . 268 K HD2 . 17007 1 284 . 1 1 27 27 LYS HD3 H 1 1.630 0.000 . 2 . . . . 268 K HD3 . 17007 1 285 . 1 1 27 27 LYS HE2 H 1 2.712 0.000 . 2 . . . . 268 K HE2 . 17007 1 286 . 1 1 27 27 LYS HE3 H 1 2.800 0.000 . 2 . . . . 268 K HE3 . 17007 1 287 . 1 1 27 27 LYS HG2 H 1 1.253 0.000 . 2 . . . . 268 K HG2 . 17007 1 288 . 1 1 27 27 LYS HG3 H 1 1.313 0.000 . 2 . . . . 268 K HG3 . 17007 1 289 . 1 1 27 27 LYS C C 13 177.631 0.000 . 1 . . . . 268 K C . 17007 1 290 . 1 1 27 27 LYS CA C 13 55.478 0.004 . 1 . . . . 268 K CA . 17007 1 291 . 1 1 27 27 LYS CB C 13 31.253 0.016 . 1 . . . . 268 K CB . 17007 1 292 . 1 1 27 27 LYS CD C 13 29.207 0.007 . 1 . . . . 268 K CD . 17007 1 293 . 1 1 27 27 LYS CE C 13 41.922 0.002 . 1 . . . . 268 K CE . 17007 1 294 . 1 1 27 27 LYS CG C 13 25.325 0.003 . 1 . . . . 268 K CG . 17007 1 295 . 1 1 27 27 LYS N N 15 129.830 0.000 . 1 . . . . 268 K N . 17007 1 296 . 1 1 28 28 THR H H 1 7.707 0.000 . 1 . . . . 269 T HN . 17007 1 297 . 1 1 28 28 THR HB H 1 4.411 0.000 . 1 . . . . 269 T HB . 17007 1 298 . 1 1 28 28 THR HG1 H 1 6.052 0.000 . 1 . . . . 269 T HG1 . 17007 1 299 . 1 1 28 28 THR HG21 H 1 1.137 0.000 . . . . . . 269 T QG2 . 17007 1 300 . 1 1 28 28 THR HG22 H 1 1.137 0.000 . . . . . . 269 T QG2 . 17007 1 301 . 1 1 28 28 THR HG23 H 1 1.137 0.000 . . . . . . 269 T QG2 . 17007 1 302 . 1 1 28 28 THR CA C 13 61.806 0.000 . 1 . . . . 269 T CA . 17007 1 303 . 1 1 28 28 THR CB C 13 69.874 0.000 . 1 . . . . 269 T CB . 17007 1 304 . 1 1 28 28 THR CG2 C 13 21.708 0.000 . 1 . . . . 269 T CG2 . 17007 1 305 . 1 1 28 28 THR N N 15 109.768 0.000 . 1 . . . . 269 T N . 17007 1 306 . 1 1 29 29 ASN H H 1 8.422 0.000 . 1 . . . . 270 N HN . 17007 1 307 . 1 1 29 29 ASN HB2 H 1 2.891 0.000 . 2 . . . . 270 N HB2 . 17007 1 308 . 1 1 29 29 ASN HB3 H 1 3.021 0.000 . 2 . . . . 270 N HB3 . 17007 1 309 . 1 1 29 29 ASN HD21 H 1 7.014 0.004 . 2 . . . . 270 N HD21 . 17007 1 310 . 1 1 29 29 ASN HD22 H 1 7.603 0.002 . 2 . . . . 270 N HD22 . 17007 1 311 . 1 1 29 29 ASN CB C 13 38.740 0.001 . 1 . . . . 270 N CB . 17007 1 312 . 1 1 29 29 ASN CG C 13 178.003 0.006 . 1 . . . . 270 N CG . 17007 1 313 . 1 1 29 29 ASN N N 15 112.948 0.000 . 1 . . . . 270 N N . 17007 1 314 . 1 1 29 29 ASN ND2 N 15 112.846 0.002 . 1 . . . . 270 N ND2 . 17007 1 315 . 1 1 30 30 ILE H H 1 8.606 0.000 . 1 . . . . 271 I HN . 17007 1 316 . 1 1 30 30 ILE HA H 1 4.498 0.014 . 1 . . . . 271 I HA . 17007 1 317 . 1 1 30 30 ILE HB H 1 1.818 0.000 . 1 . . . . 271 I HB . 17007 1 318 . 1 1 30 30 ILE HD11 H 1 0.799 0.000 . . . . . . 271 I QD1 . 17007 1 319 . 1 1 30 30 ILE HD12 H 1 0.799 0.000 . . . . . . 271 I QD1 . 17007 1 320 . 1 1 30 30 ILE HD13 H 1 0.799 0.000 . . . . . . 271 I QD1 . 17007 1 321 . 1 1 30 30 ILE HG12 H 1 1.045 0.000 . 2 . . . . 271 I HG12 . 17007 1 322 . 1 1 30 30 ILE HG13 H 1 1.368 0.000 . 2 . . . . 271 I HG13 . 17007 1 323 . 1 1 30 30 ILE HG21 H 1 0.877 0.000 . . . . . . 271 I QG2 . 17007 1 324 . 1 1 30 30 ILE HG22 H 1 0.877 0.000 . . . . . . 271 I QG2 . 17007 1 325 . 1 1 30 30 ILE HG23 H 1 0.877 0.000 . . . . . . 271 I QG2 . 17007 1 326 . 1 1 30 30 ILE C C 13 174.143 0.000 . 1 . . . . 271 I C . 17007 1 327 . 1 1 30 30 ILE CA C 13 59.707 0.019 . 1 . . . . 271 I CA . 17007 1 328 . 1 1 30 30 ILE CB C 13 41.709 0.057 . 1 . . . . 271 I CB . 17007 1 329 . 1 1 30 30 ILE CD1 C 13 13.603 0.000 . 1 . . . . 271 I CD1 . 17007 1 330 . 1 1 30 30 ILE CG1 C 13 26.220 0.004 . 1 . . . . 271 I CG1 . 17007 1 331 . 1 1 30 30 ILE CG2 C 13 17.975 0.000 . 1 . . . . 271 I CG2 . 17007 1 332 . 1 1 30 30 ILE N N 15 112.207 0.000 . 1 . . . . 271 I N . 17007 1 333 . 1 1 31 31 ILE H H 1 8.070 0.000 . 1 . . . . 272 I HN . 17007 1 334 . 1 1 31 31 ILE HA H 1 3.793 0.007 . 1 . . . . 272 I HA . 17007 1 335 . 1 1 31 31 ILE HB H 1 1.624 0.000 . 1 . . . . 272 I HB . 17007 1 336 . 1 1 31 31 ILE HD11 H 1 0.894 0.000 . . . . . . 272 I QD1 . 17007 1 337 . 1 1 31 31 ILE HD12 H 1 0.894 0.000 . . . . . . 272 I QD1 . 17007 1 338 . 1 1 31 31 ILE HD13 H 1 0.894 0.000 . . . . . . 272 I QD1 . 17007 1 339 . 1 1 31 31 ILE HG12 H 1 1.059 0.000 . 2 . . . . 272 I HG12 . 17007 1 340 . 1 1 31 31 ILE HG13 H 1 1.640 0.000 . 2 . . . . 272 I HG13 . 17007 1 341 . 1 1 31 31 ILE HG21 H 1 0.658 0.000 . . . . . . 272 I QG2 . 17007 1 342 . 1 1 31 31 ILE HG22 H 1 0.658 0.000 . . . . . . 272 I QG2 . 17007 1 343 . 1 1 31 31 ILE HG23 H 1 0.658 0.000 . . . . . . 272 I QG2 . 17007 1 344 . 1 1 31 31 ILE C C 13 176.877 0.000 . 1 . . . . 272 I C . 17007 1 345 . 1 1 31 31 ILE CA C 13 61.595 0.009 . 1 . . . . 272 I CA . 17007 1 346 . 1 1 31 31 ILE CB C 13 38.928 0.083 . 1 . . . . 272 I CB . 17007 1 347 . 1 1 31 31 ILE CD1 C 13 13.632 0.000 . 1 . . . . 272 I CD1 . 17007 1 348 . 1 1 31 31 ILE CG1 C 13 28.840 0.001 . 1 . . . . 272 I CG1 . 17007 1 349 . 1 1 31 31 ILE CG2 C 13 17.896 0.000 . 1 . . . . 272 I CG2 . 17007 1 350 . 1 1 31 31 ILE N N 15 122.376 0.000 . 1 . . . . 272 I N . 17007 1 351 . 1 1 32 32 ILE H H 1 8.374 0.000 . 1 . . . . 273 I HN . 17007 1 352 . 1 1 32 32 ILE HA H 1 4.309 0.003 . 1 . . . . 273 I HA . 17007 1 353 . 1 1 32 32 ILE HB H 1 1.907 0.000 . 1 . . . . 273 I HB . 17007 1 354 . 1 1 32 32 ILE HD11 H 1 0.704 0.000 . . . . . . 273 I QD1 . 17007 1 355 . 1 1 32 32 ILE HD12 H 1 0.704 0.000 . . . . . . 273 I QD1 . 17007 1 356 . 1 1 32 32 ILE HD13 H 1 0.704 0.000 . . . . . . 273 I QD1 . 17007 1 357 . 1 1 32 32 ILE HG12 H 1 1.153 0.000 . 2 . . . . 273 I HG12 . 17007 1 358 . 1 1 32 32 ILE HG13 H 1 1.549 0.000 . 2 . . . . 273 I HG13 . 17007 1 359 . 1 1 32 32 ILE HG21 H 1 0.987 0.000 . . . . . . 273 I QG2 . 17007 1 360 . 1 1 32 32 ILE HG22 H 1 0.987 0.000 . . . . . . 273 I QG2 . 17007 1 361 . 1 1 32 32 ILE HG23 H 1 0.987 0.000 . . . . . . 273 I QG2 . 17007 1 362 . 1 1 32 32 ILE CA C 13 58.097 0.012 . 1 . . . . 273 I CA . 17007 1 363 . 1 1 32 32 ILE CB C 13 37.877 0.014 . 1 . . . . 273 I CB . 17007 1 364 . 1 1 32 32 ILE CD1 C 13 12.775 0.000 . 1 . . . . 273 I CD1 . 17007 1 365 . 1 1 32 32 ILE CG1 C 13 28.010 0.003 . 1 . . . . 273 I CG1 . 17007 1 366 . 1 1 32 32 ILE CG2 C 13 16.821 0.000 . 1 . . . . 273 I CG2 . 17007 1 367 . 1 1 32 32 ILE N N 15 130.793 0.000 . 1 . . . . 273 I N . 17007 1 368 . 1 1 33 33 PRO HA H 1 4.442 0.016 . 1 . . . . 274 P HA . 17007 1 369 . 1 1 33 33 PRO HB2 H 1 2.091 0.000 . 2 . . . . 274 P HB2 . 17007 1 370 . 1 1 33 33 PRO HB3 H 1 2.373 0.000 . 2 . . . . 274 P HB3 . 17007 1 371 . 1 1 33 33 PRO HD2 H 1 3.427 0.000 . 2 . . . . 274 P HD2 . 17007 1 372 . 1 1 33 33 PRO HD3 H 1 3.935 0.000 . 2 . . . . 274 P HD3 . 17007 1 373 . 1 1 33 33 PRO HG2 H 1 1.816 0.000 . 2 . . . . 274 P HG2 . 17007 1 374 . 1 1 33 33 PRO HG3 H 1 2.038 0.000 . 2 . . . . 274 P HG3 . 17007 1 375 . 1 1 33 33 PRO C C 13 176.288 0.000 . 1 . . . . 274 P C . 17007 1 376 . 1 1 33 33 PRO CA C 13 62.317 0.018 . 1 . . . . 274 P CA . 17007 1 377 . 1 1 33 33 PRO CB C 13 33.026 0.019 . 1 . . . . 274 P CB . 17007 1 378 . 1 1 33 33 PRO CD C 13 50.883 0.001 . 1 . . . . 274 P CD . 17007 1 379 . 1 1 33 33 PRO CG C 13 27.089 0.004 . 1 . . . . 274 P CG . 17007 1 380 . 1 1 34 34 GLY H H 1 8.449 0.000 . 1 . . . . 275 G HN . 17007 1 381 . 1 1 34 34 GLY HA2 H 1 3.473 0.000 . . . . . . 275 G HA1 . 17007 1 382 . 1 1 34 34 GLY HA3 H 1 3.814 0.000 . 2 . . . . 275 G HA2 . 17007 1 383 . 1 1 34 34 GLY C C 13 173.352 0.000 . 1 . . . . 275 G C . 17007 1 384 . 1 1 34 34 GLY CA C 13 44.652 0.026 . 1 . . . . 275 G CA . 17007 1 385 . 1 1 34 34 GLY N N 15 103.284 0.000 . 1 . . . . 275 G N . 17007 1 386 . 1 1 35 35 ASN H H 1 8.762 0.000 . 1 . . . . 276 N HN . 17007 1 387 . 1 1 35 35 ASN HA H 1 4.225 0.018 . 1 . . . . 276 N HA . 17007 1 388 . 1 1 35 35 ASN HB2 H 1 3.013 0.000 . 2 . . . . 276 N HB2 . 17007 1 389 . 1 1 35 35 ASN HB3 H 1 3.038 0.000 . 2 . . . . 276 N HB3 . 17007 1 390 . 1 1 35 35 ASN HD21 H 1 6.939 0.004 . 2 . . . . 276 N HD21 . 17007 1 391 . 1 1 35 35 ASN HD22 H 1 7.476 0.003 . 2 . . . . 276 N HD22 . 17007 1 392 . 1 1 35 35 ASN C C 13 175.223 0.000 . 1 . . . . 276 N C . 17007 1 393 . 1 1 35 35 ASN CA C 13 54.558 0.017 . 1 . . . . 276 N CA . 17007 1 394 . 1 1 35 35 ASN CB C 13 36.904 0.042 . 1 . . . . 276 N CB . 17007 1 395 . 1 1 35 35 ASN CG C 13 178.848 0.005 . 1 . . . . 276 N CG . 17007 1 396 . 1 1 35 35 ASN N N 15 112.632 0.000 . 1 . . . . 276 N N . 17007 1 397 . 1 1 35 35 ASN ND2 N 15 114.339 0.001 . 1 . . . . 276 N ND2 . 17007 1 398 . 1 1 36 36 CYS H H 1 8.978 0.000 . 1 . . . . 277 C HN . 17007 1 399 . 1 1 36 36 CYS HA H 1 4.920 0.007 . 1 . . . . 277 C HA . 17007 1 400 . 1 1 36 36 CYS HB2 H 1 2.604 0.000 . 2 . . . . 277 C HB2 . 17007 1 401 . 1 1 36 36 CYS HB3 H 1 3.298 0.000 . 2 . . . . 277 C HB3 . 17007 1 402 . 1 1 36 36 CYS C C 13 175.648 0.000 . 1 . . . . 277 C C . 17007 1 403 . 1 1 36 36 CYS CA C 13 60.316 0.020 . 1 . . . . 277 C CA . 17007 1 404 . 1 1 36 36 CYS CB C 13 30.036 0.019 . 1 . . . . 277 C CB . 17007 1 405 . 1 1 36 36 CYS N N 15 115.122 0.000 . 1 . . . . 277 C N . 17007 1 406 . 1 1 37 37 THR H H 1 9.487 0.000 . 1 . . . . 278 T HN . 17007 1 407 . 1 1 37 37 THR HA H 1 4.827 0.003 . 1 . . . . 278 T HA . 17007 1 408 . 1 1 37 37 THR HB H 1 3.927 0.000 . 1 . . . . 278 T HB . 17007 1 409 . 1 1 37 37 THR HG21 H 1 1.129 0.000 . . . . . . 278 T QG2 . 17007 1 410 . 1 1 37 37 THR HG22 H 1 1.129 0.000 . . . . . . 278 T QG2 . 17007 1 411 . 1 1 37 37 THR HG23 H 1 1.129 0.000 . . . . . . 278 T QG2 . 17007 1 412 . 1 1 37 37 THR C C 13 171.852 0.000 . 1 . . . . 278 T C . 17007 1 413 . 1 1 37 37 THR CA C 13 61.088 0.055 . 1 . . . . 278 T CA . 17007 1 414 . 1 1 37 37 THR CB C 13 71.008 0.034 . 1 . . . . 278 T CB . 17007 1 415 . 1 1 37 37 THR CG2 C 13 22.994 0.000 . 1 . . . . 278 T CG2 . 17007 1 416 . 1 1 37 37 THR N N 15 114.787 0.000 . 1 . . . . 278 T N . 17007 1 417 . 1 1 38 38 PHE H H 1 9.151 0.000 . 1 . . . . 279 F HN . 17007 1 418 . 1 1 38 38 PHE HA H 1 5.280 0.007 . 1 . . . . 279 F HA . 17007 1 419 . 1 1 38 38 PHE HB2 H 1 2.887 0.000 . 2 . . . . 279 F HB2 . 17007 1 420 . 1 1 38 38 PHE HB3 H 1 3.090 0.000 . 2 . . . . 279 F HB3 . 17007 1 421 . 1 1 38 38 PHE HD1 H 1 6.713 0.000 . 3 . . . . 279 F QD . 17007 1 422 . 1 1 38 38 PHE HD2 H 1 6.713 0.000 . 3 . . . . 279 F QD . 17007 1 423 . 1 1 38 38 PHE HE1 H 1 6.106 0.002 . 3 . . . . 279 F QE . 17007 1 424 . 1 1 38 38 PHE HE2 H 1 6.106 0.002 . 3 . . . . 279 F QE . 17007 1 425 . 1 1 38 38 PHE HZ H 1 6.665 0.000 . 1 . . . . 279 F HZ . 17007 1 426 . 1 1 38 38 PHE C C 13 173.996 0.000 . 1 . . . . 279 F C . 17007 1 427 . 1 1 38 38 PHE CA C 13 56.316 0.012 . 1 . . . . 279 F CA . 17007 1 428 . 1 1 38 38 PHE CB C 13 40.766 0.036 . 1 . . . . 279 F CB . 17007 1 429 . 1 1 38 38 PHE CD1 C 13 131.297 0.000 . 3 . . . . 279 F CD1 . 17007 1 430 . 1 1 38 38 PHE CE1 C 13 129.638 0.000 . 3 . . . . 279 F CE1 . 17007 1 431 . 1 1 38 38 PHE CZ C 13 128.119 0.000 . 1 . . . . 279 F CZ . 17007 1 432 . 1 1 38 38 PHE N N 15 126.352 0.000 . 1 . . . . 279 F N . 17007 1 433 . 1 1 39 39 GLU H H 1 8.901 0.000 . 1 . . . . 280 E HN . 17007 1 434 . 1 1 39 39 GLU HA H 1 5.465 0.012 . 1 . . . . 280 E HA . 17007 1 435 . 1 1 39 39 GLU HB2 H 1 1.581 0.000 . 2 . . . . 280 E HB2 . 17007 1 436 . 1 1 39 39 GLU HB3 H 1 1.704 0.000 . 2 . . . . 280 E HB3 . 17007 1 437 . 1 1 39 39 GLU HG2 H 1 1.906 0.000 . 2 . . . . 280 E HG2 . 17007 1 438 . 1 1 39 39 GLU HG3 H 1 2.043 0.000 . 2 . . . . 280 E HG3 . 17007 1 439 . 1 1 39 39 GLU C C 13 175.016 0.000 . 1 . . . . 280 E C . 17007 1 440 . 1 1 39 39 GLU CA C 13 53.778 0.031 . 1 . . . . 280 E CA . 17007 1 441 . 1 1 39 39 GLU CB C 13 33.601 0.001 . 1 . . . . 280 E CB . 17007 1 442 . 1 1 39 39 GLU CG C 13 36.653 0.001 . 1 . . . . 280 E CG . 17007 1 443 . 1 1 39 39 GLU N N 15 126.682 0.000 . 1 . . . . 280 E N . 17007 1 444 . 1 1 40 40 PHE H H 1 8.980 0.000 . 1 . . . . 281 F HN . 17007 1 445 . 1 1 40 40 PHE HA H 1 5.931 0.007 . 1 . . . . 281 F HA . 17007 1 446 . 1 1 40 40 PHE HB2 H 1 2.874 0.000 . 2 . . . . 281 F HB2 . 17007 1 447 . 1 1 40 40 PHE HB3 H 1 2.956 0.000 . 2 . . . . 281 F HB3 . 17007 1 448 . 1 1 40 40 PHE HD1 H 1 6.830 0.001 . 3 . . . . 281 F QD . 17007 1 449 . 1 1 40 40 PHE HD2 H 1 6.830 0.001 . 3 . . . . 281 F QD . 17007 1 450 . 1 1 40 40 PHE HE1 H 1 6.544 0.001 . 3 . . . . 281 F HE1 . 17007 1 451 . 1 1 40 40 PHE HE2 H 1 6.557 0.003 . 3 . . . . 281 F HE2 . 17007 1 452 . 1 1 40 40 PHE HZ H 1 5.658 0.000 . 1 . . . . 281 F HZ . 17007 1 453 . 1 1 40 40 PHE C C 13 173.334 0.000 . 1 . . . . 281 F C . 17007 1 454 . 1 1 40 40 PHE CA C 13 54.732 0.029 . 1 . . . . 281 F CA . 17007 1 455 . 1 1 40 40 PHE CB C 13 41.192 0.030 . 1 . . . . 281 F CB . 17007 1 456 . 1 1 40 40 PHE CD1 C 13 132.185 0.000 . 3 . . . . 281 F CD1 . 17007 1 457 . 1 1 40 40 PHE CE1 C 13 130.316 0.000 . 3 . . . . 281 F CE1 . 17007 1 458 . 1 1 40 40 PHE CE2 C 13 130.562 0.000 . 3 . . . . 281 F CE2 . 17007 1 459 . 1 1 40 40 PHE CZ C 13 129.260 0.000 . 1 . . . . 281 F CZ . 17007 1 460 . 1 1 40 40 PHE N N 15 118.606 0.000 . 1 . . . . 281 F N . 17007 1 461 . 1 1 41 41 SER H H 1 8.659 0.000 . 1 . . . . 282 S HN . 17007 1 462 . 1 1 41 41 SER HA H 1 5.001 0.011 . 1 . . . . 282 S HA . 17007 1 463 . 1 1 41 41 SER HB2 H 1 3.759 0.000 . 2 . . . . 282 S HB2 . 17007 1 464 . 1 1 41 41 SER HB3 H 1 3.800 0.000 . 2 . . . . 282 S HB3 . 17007 1 465 . 1 1 41 41 SER C C 13 172.862 0.000 . 1 . . . . 282 S C . 17007 1 466 . 1 1 41 41 SER CA C 13 57.040 0.024 . 1 . . . . 282 S CA . 17007 1 467 . 1 1 41 41 SER CB C 13 66.126 0.042 . 1 . . . . 282 S CB . 17007 1 468 . 1 1 41 41 SER N N 15 112.493 0.000 . 1 . . . . 282 S N . 17007 1 469 . 1 1 42 42 SER H H 1 9.072 0.000 . 1 . . . . 283 S HN . 17007 1 470 . 1 1 42 42 SER HA H 1 4.200 0.019 . 1 . . . . 283 S HA . 17007 1 471 . 1 1 42 42 SER HB2 H 1 2.777 0.000 . 2 . . . . 283 S HB2 . 17007 1 472 . 1 1 42 42 SER HB3 H 1 3.718 0.000 . 2 . . . . 283 S HB3 . 17007 1 473 . 1 1 42 42 SER C C 13 174.887 0.000 . 1 . . . . 283 S C . 17007 1 474 . 1 1 42 42 SER CA C 13 56.358 0.018 . 1 . . . . 283 S CA . 17007 1 475 . 1 1 42 42 SER CB C 13 65.084 0.039 . 1 . . . . 283 S CB . 17007 1 476 . 1 1 42 42 SER N N 15 119.732 0.000 . 1 . . . . 283 S N . 17007 1 477 . 1 1 43 43 GLN H H 1 8.588 0.000 . 1 . . . . 284 Q HN . 17007 1 478 . 1 1 43 43 GLN HA H 1 4.324 0.015 . 1 . . . . 284 Q HA . 17007 1 479 . 1 1 43 43 GLN HB2 H 1 2.105 0.000 . 2 . . . . 284 Q HB2 . 17007 1 480 . 1 1 43 43 GLN HB3 H 1 2.167 0.000 . 2 . . . . 284 Q HB3 . 17007 1 481 . 1 1 43 43 GLN HE21 H 1 6.872 0.003 . 2 . . . . 284 Q HE21 . 17007 1 482 . 1 1 43 43 GLN HE22 H 1 7.539 0.003 . 2 . . . . 284 Q HE22 . 17007 1 483 . 1 1 43 43 GLN HG2 H 1 2.406 0.000 . 2 . . . . 284 Q HG2 . 17007 1 484 . 1 1 43 43 GLN HG3 H 1 2.430 0.000 . 2 . . . . 284 Q HG3 . 17007 1 485 . 1 1 43 43 GLN C C 13 176.625 0.000 . 1 . . . . 284 Q C . 17007 1 486 . 1 1 43 43 GLN CA C 13 57.130 0.025 . 1 . . . . 284 Q CA . 17007 1 487 . 1 1 43 43 GLN CB C 13 29.407 0.023 . 1 . . . . 284 Q CB . 17007 1 488 . 1 1 43 43 GLN CD C 13 180.474 0.011 . 1 . . . . 284 Q CD . 17007 1 489 . 1 1 43 43 GLN CG C 13 33.793 0.004 . 1 . . . . 284 Q CG . 17007 1 490 . 1 1 43 43 GLN N N 15 118.414 0.000 . 1 . . . . 284 Q N . 17007 1 491 . 1 1 43 43 GLN NE2 N 15 112.101 0.004 . 1 . . . . 284 Q NE2 . 17007 1 492 . 1 1 44 44 ILE H H 1 7.701 0.000 . 1 . . . . 285 I HN . 17007 1 493 . 1 1 44 44 ILE HA H 1 4.374 0.019 . 1 . . . . 285 I HA . 17007 1 494 . 1 1 44 44 ILE HB H 1 2.036 0.000 . 1 . . . . 285 I HB . 17007 1 495 . 1 1 44 44 ILE HD11 H 1 0.868 0.000 . . . . . . 285 I QD1 . 17007 1 496 . 1 1 44 44 ILE HD12 H 1 0.868 0.000 . . . . . . 285 I QD1 . 17007 1 497 . 1 1 44 44 ILE HD13 H 1 0.868 0.000 . . . . . . 285 I QD1 . 17007 1 498 . 1 1 44 44 ILE HG12 H 1 1.086 0.000 . 2 . . . . 285 I HG12 . 17007 1 499 . 1 1 44 44 ILE HG13 H 1 1.251 0.000 . 2 . . . . 285 I HG13 . 17007 1 500 . 1 1 44 44 ILE HG21 H 1 0.892 0.000 . . . . . . 285 I QG2 . 17007 1 501 . 1 1 44 44 ILE HG22 H 1 0.892 0.000 . . . . . . 285 I QG2 . 17007 1 502 . 1 1 44 44 ILE HG23 H 1 0.892 0.000 . . . . . . 285 I QG2 . 17007 1 503 . 1 1 44 44 ILE C C 13 175.749 0.000 . 1 . . . . 285 I C . 17007 1 504 . 1 1 44 44 ILE CA C 13 61.442 0.013 . 1 . . . . 285 I CA . 17007 1 505 . 1 1 44 44 ILE CB C 13 38.592 0.101 . 1 . . . . 285 I CB . 17007 1 506 . 1 1 44 44 ILE CD1 C 13 13.842 0.000 . 1 . . . . 285 I CD1 . 17007 1 507 . 1 1 44 44 ILE CG1 C 13 26.944 0.001 . 1 . . . . 285 I CG1 . 17007 1 508 . 1 1 44 44 ILE CG2 C 13 17.710 0.000 . 1 . . . . 285 I CG2 . 17007 1 509 . 1 1 44 44 ILE N N 15 112.350 0.000 . 1 . . . . 285 I N . 17007 1 510 . 1 1 45 45 SER H H 1 7.600 0.000 . 1 . . . . 286 S HN . 17007 1 511 . 1 1 45 45 SER HA H 1 4.277 0.008 . 1 . . . . 286 S HA . 17007 1 512 . 1 1 45 45 SER HB2 H 1 3.892 0.000 . 2 . . . . 286 S HB2 . 17007 1 513 . 1 1 45 45 SER HB3 H 1 4.193 0.000 . 2 . . . . 286 S HB3 . 17007 1 514 . 1 1 45 45 SER C C 13 174.133 0.000 . 1 . . . . 286 S C . 17007 1 515 . 1 1 45 45 SER CA C 13 58.726 0.022 . 1 . . . . 286 S CA . 17007 1 516 . 1 1 45 45 SER CB C 13 64.355 0.008 . 1 . . . . 286 S CB . 17007 1 517 . 1 1 45 45 SER N N 15 115.228 0.000 . 1 . . . . 286 S N . 17007 1 518 . 1 1 46 46 GLU H H 1 7.713 0.000 . 1 . . . . 287 E HN . 17007 1 519 . 1 1 46 46 GLU HA H 1 4.236 0.020 . 1 . . . . 287 E HA . 17007 1 520 . 1 1 46 46 GLU HB2 H 1 1.673 0.000 . 2 . . . . 287 E HB2 . 17007 1 521 . 1 1 46 46 GLU HB3 H 1 1.757 0.000 . 2 . . . . 287 E HB3 . 17007 1 522 . 1 1 46 46 GLU HG2 H 1 1.839 0.000 . 2 . . . . 287 E HG2 . 17007 1 523 . 1 1 46 46 GLU HG3 H 1 1.883 0.000 . 2 . . . . 287 E HG3 . 17007 1 524 . 1 1 46 46 GLU C C 13 173.978 0.000 . 1 . . . . 287 E C . 17007 1 525 . 1 1 46 46 GLU CA C 13 55.700 0.026 . 1 . . . . 287 E CA . 17007 1 526 . 1 1 46 46 GLU CB C 13 30.637 0.018 . 1 . . . . 287 E CB . 17007 1 527 . 1 1 46 46 GLU CG C 13 36.174 0.000 . 1 . . . . 287 E CG . 17007 1 528 . 1 1 46 46 GLU N N 15 119.979 0.000 . 1 . . . . 287 E N . 17007 1 529 . 1 1 47 47 VAL H H 1 8.068 0.000 . 1 . . . . 288 V HN . 17007 1 530 . 1 1 47 47 VAL HA H 1 3.798 0.010 . 1 . . . . 288 V HA . 17007 1 531 . 1 1 47 47 VAL HB H 1 1.740 0.000 . 1 . . . . 288 V HB . 17007 1 532 . 1 1 47 47 VAL HG11 H 1 0.756 0.000 . . . . . . 288 V QG1 . 17007 1 533 . 1 1 47 47 VAL HG12 H 1 0.756 0.000 . . . . . . 288 V QG1 . 17007 1 534 . 1 1 47 47 VAL HG13 H 1 0.756 0.000 . . . . . . 288 V QG1 . 17007 1 535 . 1 1 47 47 VAL HG21 H 1 0.640 0.000 . . . . . . 288 V QG2 . 17007 1 536 . 1 1 47 47 VAL HG22 H 1 0.640 0.000 . . . . . . 288 V QG2 . 17007 1 537 . 1 1 47 47 VAL HG23 H 1 0.640 0.000 . . . . . . 288 V QG2 . 17007 1 538 . 1 1 47 47 VAL C C 13 174.880 0.000 . 1 . . . . 288 V C . 17007 1 539 . 1 1 47 47 VAL CA C 13 62.293 0.047 . 1 . . . . 288 V CA . 17007 1 540 . 1 1 47 47 VAL CB C 13 32.534 0.025 . 1 . . . . 288 V CB . 17007 1 541 . 1 1 47 47 VAL CG1 C 13 20.930 0.000 . 2 . . . . 288 V CG1 . 17007 1 542 . 1 1 47 47 VAL CG2 C 13 21.096 0.000 . 2 . . . . 288 V CG2 . 17007 1 543 . 1 1 47 47 VAL N N 15 122.088 0.000 . 1 . . . . 288 V N . 17007 1 544 . 1 1 48 48 PHE H H 1 8.239 0.000 . 1 . . . . 289 F HN . 17007 1 545 . 1 1 48 48 PHE HA H 1 4.664 0.002 . 1 . . . . 289 F HA . 17007 1 546 . 1 1 48 48 PHE HB2 H 1 1.005 0.000 . 2 . . . . 289 F HB2 . 17007 1 547 . 1 1 48 48 PHE HB3 H 1 2.029 0.000 . 2 . . . . 289 F HB3 . 17007 1 548 . 1 1 48 48 PHE HD1 H 1 7.056 0.001 . 3 . . . . 289 F QD . 17007 1 549 . 1 1 48 48 PHE HD2 H 1 7.056 0.001 . 3 . . . . 289 F QD . 17007 1 550 . 1 1 48 48 PHE HE1 H 1 7.408 0.000 . 3 . . . . 289 F QE . 17007 1 551 . 1 1 48 48 PHE HE2 H 1 7.408 0.000 . 3 . . . . 289 F QE . 17007 1 552 . 1 1 48 48 PHE HZ H 1 7.303 0.000 . 1 . . . . 289 F HZ . 17007 1 553 . 1 1 48 48 PHE C C 13 174.373 0.000 . 1 . . . . 289 F C . 17007 1 554 . 1 1 48 48 PHE CA C 13 56.300 0.032 . 1 . . . . 289 F CA . 17007 1 555 . 1 1 48 48 PHE CB C 13 39.192 0.049 . 1 . . . . 289 F CB . 17007 1 556 . 1 1 48 48 PHE CD1 C 13 132.338 0.000 . 3 . . . . 289 F CD1 . 17007 1 557 . 1 1 48 48 PHE CE1 C 13 130.716 0.000 . 3 . . . . 289 F CE1 . 17007 1 558 . 1 1 48 48 PHE CZ C 13 129.088 0.000 . 1 . . . . 289 F CZ . 17007 1 559 . 1 1 48 48 PHE N N 15 130.181 0.000 . 1 . . . . 289 F N . 17007 1 560 . 1 1 49 49 SER H H 1 8.489 0.000 . 1 . . . . 290 S HN . 17007 1 561 . 1 1 49 49 SER HA H 1 5.557 0.004 . 1 . . . . 290 S HA . 17007 1 562 . 1 1 49 49 SER HB2 H 1 3.591 0.000 . 2 . . . . 290 S HB2 . 17007 1 563 . 1 1 49 49 SER HB3 H 1 3.689 0.000 . 2 . . . . 290 S HB3 . 17007 1 564 . 1 1 49 49 SER C C 13 173.891 0.000 . 1 . . . . 290 S C . 17007 1 565 . 1 1 49 49 SER CA C 13 56.859 0.031 . 1 . . . . 290 S CA . 17007 1 566 . 1 1 49 49 SER CB C 13 65.642 0.043 . 1 . . . . 290 S CB . 17007 1 567 . 1 1 49 49 SER N N 15 113.860 0.000 . 1 . . . . 290 S N . 17007 1 568 . 1 1 50 50 ILE H H 1 9.534 0.000 . 1 . . . . 291 I HN . 17007 1 569 . 1 1 50 50 ILE HA H 1 4.621 0.003 . 1 . . . . 291 I HA . 17007 1 570 . 1 1 50 50 ILE HB H 1 2.012 0.000 . 1 . . . . 291 I HB . 17007 1 571 . 1 1 50 50 ILE HD11 H 1 0.980 0.000 . . . . . . 291 I QD1 . 17007 1 572 . 1 1 50 50 ILE HD12 H 1 0.980 0.000 . . . . . . 291 I QD1 . 17007 1 573 . 1 1 50 50 ILE HD13 H 1 0.980 0.000 . . . . . . 291 I QD1 . 17007 1 574 . 1 1 50 50 ILE HG12 H 1 1.590 0.000 . 2 . . . . 291 I HG12 . 17007 1 575 . 1 1 50 50 ILE HG13 H 1 1.987 0.000 . 2 . . . . 291 I HG13 . 17007 1 576 . 1 1 50 50 ILE HG21 H 1 1.279 0.000 . . . . . . 291 I QG2 . 17007 1 577 . 1 1 50 50 ILE HG22 H 1 1.279 0.000 . . . . . . 291 I QG2 . 17007 1 578 . 1 1 50 50 ILE HG23 H 1 1.279 0.000 . . . . . . 291 I QG2 . 17007 1 579 . 1 1 50 50 ILE C C 13 176.245 0.000 . 1 . . . . 291 I C . 17007 1 580 . 1 1 50 50 ILE CA C 13 60.729 0.018 . 1 . . . . 291 I CA . 17007 1 581 . 1 1 50 50 ILE CB C 13 42.513 0.021 . 1 . . . . 291 I CB . 17007 1 582 . 1 1 50 50 ILE CD1 C 13 16.080 0.000 . 1 . . . . 291 I CD1 . 17007 1 583 . 1 1 50 50 ILE CG1 C 13 27.209 0.000 . 1 . . . . 291 I CG1 . 17007 1 584 . 1 1 50 50 ILE CG2 C 13 18.849 0.000 . 1 . . . . 291 I CG2 . 17007 1 585 . 1 1 50 50 ILE N N 15 123.747 0.000 . 1 . . . . 291 I N . 17007 1 586 . 1 1 51 51 LYS H H 1 9.113 0.000 . 1 . . . . 292 K HN . 17007 1 587 . 1 1 51 51 LYS HA H 1 4.356 0.014 . 1 . . . . 292 K HA . 17007 1 588 . 1 1 51 51 LYS HB2 H 1 1.929 0.000 . 2 . . . . 292 K HB2 . 17007 1 589 . 1 1 51 51 LYS HB3 H 1 2.042 0.000 . 2 . . . . 292 K HB3 . 17007 1 590 . 1 1 51 51 LYS HD2 H 1 1.747 0.000 . 2 . . . . 292 K HD2 . 17007 1 591 . 1 1 51 51 LYS HD3 H 1 1.769 0.000 . 2 . . . . 292 K HD3 . 17007 1 592 . 1 1 51 51 LYS HE2 H 1 3.042 0.000 . 2 . . . . 292 K HE2 . 17007 1 593 . 1 1 51 51 LYS HE3 H 1 3.059 0.000 . 2 . . . . 292 K HE3 . 17007 1 594 . 1 1 51 51 LYS HG2 H 1 1.518 0.000 . 2 . . . . 292 K HG2 . 17007 1 595 . 1 1 51 51 LYS HG3 H 1 1.716 0.000 . 2 . . . . 292 K HG3 . 17007 1 596 . 1 1 51 51 LYS C C 13 177.416 0.000 . 1 . . . . 292 K C . 17007 1 597 . 1 1 51 51 LYS CA C 13 57.949 0.028 . 1 . . . . 292 K CA . 17007 1 598 . 1 1 51 51 LYS CB C 13 31.976 0.034 . 1 . . . . 292 K CB . 17007 1 599 . 1 1 51 51 LYS CD C 13 29.231 0.006 . 1 . . . . 292 K CD . 17007 1 600 . 1 1 51 51 LYS CE C 13 42.164 0.002 . 1 . . . . 292 K CE . 17007 1 601 . 1 1 51 51 LYS CG C 13 25.265 0.001 . 1 . . . . 292 K CG . 17007 1 602 . 1 1 51 51 LYS N N 15 127.813 0.000 . 1 . . . . 292 K N . 17007 1 603 . 1 1 52 52 MET H H 1 8.400 0.000 . 1 . . . . 293 M HN . 17007 1 604 . 1 1 52 52 MET HA H 1 4.171 0.008 . 1 . . . . 293 M HA . 17007 1 605 . 1 1 52 52 MET HB2 H 1 2.275 0.000 . 2 . . . . 293 M HB2 . 17007 1 606 . 1 1 52 52 MET HB3 H 1 2.307 0.000 . 2 . . . . 293 M HB3 . 17007 1 607 . 1 1 52 52 MET HE1 H 1 1.871 0.000 . . . . . . 293 M QE . 17007 1 608 . 1 1 52 52 MET HE2 H 1 1.871 0.000 . . . . . . 293 M QE . 17007 1 609 . 1 1 52 52 MET HE3 H 1 1.871 0.000 . . . . . . 293 M QE . 17007 1 610 . 1 1 52 52 MET HG2 H 1 2.365 0.000 . 2 . . . . 293 M HG2 . 17007 1 611 . 1 1 52 52 MET HG3 H 1 2.455 0.000 . 2 . . . . 293 M HG3 . 17007 1 612 . 1 1 52 52 MET C C 13 176.604 0.000 . 1 . . . . 293 M C . 17007 1 613 . 1 1 52 52 MET CA C 13 58.117 0.024 . 1 . . . . 293 M CA . 17007 1 614 . 1 1 52 52 MET CB C 13 33.684 0.012 . 1 . . . . 293 M CB . 17007 1 615 . 1 1 52 52 MET CE C 13 15.741 0.000 . 1 . . . . 293 M CE . 17007 1 616 . 1 1 52 52 MET CG C 13 32.722 0.008 . 1 . . . . 293 M CG . 17007 1 617 . 1 1 52 52 MET N N 15 122.494 0.000 . 1 . . . . 293 M N . 17007 1 618 . 1 1 53 53 GLY H H 1 8.379 0.000 . 1 . . . . 294 G HN . 17007 1 619 . 1 1 53 53 GLY HA2 H 1 3.951 0.000 . . . . . . 294 G HA1 . 17007 1 620 . 1 1 53 53 GLY HA3 H 1 4.635 0.000 . 2 . . . . 294 G HA2 . 17007 1 621 . 1 1 53 53 GLY CA C 13 44.837 0.007 . 1 . . . . 294 G CA . 17007 1 622 . 1 1 53 53 GLY N N 15 107.201 0.000 . 1 . . . . 294 G N . 17007 1 623 . 1 1 54 54 PRO HA H 1 4.349 0.017 . 1 . . . . 295 P HA . 17007 1 624 . 1 1 54 54 PRO HB2 H 1 1.807 0.000 . 2 . . . . 295 P HB2 . 17007 1 625 . 1 1 54 54 PRO HB3 H 1 2.157 0.000 . 2 . . . . 295 P HB3 . 17007 1 626 . 1 1 54 54 PRO HD2 H 1 3.508 0.000 . 2 . . . . 295 P HD2 . 17007 1 627 . 1 1 54 54 PRO HD3 H 1 3.664 0.000 . 2 . . . . 295 P HD3 . 17007 1 628 . 1 1 54 54 PRO HG2 H 1 1.256 0.000 . 2 . . . . 295 P HG2 . 17007 1 629 . 1 1 54 54 PRO HG3 H 1 1.956 0.000 . 2 . . . . 295 P HG3 . 17007 1 630 . 1 1 54 54 PRO C C 13 176.453 0.000 . 1 . . . . 295 P C . 17007 1 631 . 1 1 54 54 PRO CA C 13 64.245 0.004 . 1 . . . . 295 P CA . 17007 1 632 . 1 1 54 54 PRO CB C 13 32.523 0.017 . 1 . . . . 295 P CB . 17007 1 633 . 1 1 54 54 PRO CD C 13 49.713 0.002 . 1 . . . . 295 P CD . 17007 1 634 . 1 1 54 54 PRO CG C 13 26.178 0.003 . 1 . . . . 295 P CG . 17007 1 635 . 1 1 55 55 HIS H H 1 7.939 0.000 . 1 . . . . 296 H HN . 17007 1 636 . 1 1 55 55 HIS HA H 1 4.802 0.004 . 1 . . . . 296 H HA . 17007 1 637 . 1 1 55 55 HIS HB2 H 1 3.083 0.000 . 2 . . . . 296 H HB2 . 17007 1 638 . 1 1 55 55 HIS HB3 H 1 3.234 0.000 . 2 . . . . 296 H HB3 . 17007 1 639 . 1 1 55 55 HIS HD2 H 1 7.128 0.001 . 1 . . . . 296 H HD2 . 17007 1 640 . 1 1 55 55 HIS C C 13 175.633 0.000 . 1 . . . . 296 H C . 17007 1 641 . 1 1 55 55 HIS CA C 13 55.943 0.021 . 1 . . . . 296 H CA . 17007 1 642 . 1 1 55 55 HIS CB C 13 31.391 0.052 . 1 . . . . 296 H CB . 17007 1 643 . 1 1 55 55 HIS CD2 C 13 119.767 0.000 . 1 . . . . 296 H CD2 . 17007 1 644 . 1 1 55 55 HIS N N 15 119.195 0.000 . 1 . . . . 296 H N . 17007 1 645 . 1 1 56 56 GLU H H 1 8.832 0.000 . 1 . . . . 297 E HN . 17007 1 646 . 1 1 56 56 GLU HA H 1 4.303 0.003 . 1 . . . . 297 E HA . 17007 1 647 . 1 1 56 56 GLU HB2 H 1 1.888 0.000 . 2 . . . . 297 E HB2 . 17007 1 648 . 1 1 56 56 GLU HB3 H 1 1.998 0.000 . 2 . . . . 297 E HB3 . 17007 1 649 . 1 1 56 56 GLU HG2 H 1 2.168 0.000 . 2 . . . . 297 E HG2 . 17007 1 650 . 1 1 56 56 GLU HG3 H 1 2.261 0.000 . 2 . . . . 297 E HG3 . 17007 1 651 . 1 1 56 56 GLU C C 13 176.697 0.000 . 1 . . . . 297 E C . 17007 1 652 . 1 1 56 56 GLU CA C 13 55.855 0.029 . 1 . . . . 297 E CA . 17007 1 653 . 1 1 56 56 GLU CB C 13 30.026 0.016 . 1 . . . . 297 E CB . 17007 1 654 . 1 1 56 56 GLU CG C 13 35.656 0.010 . 1 . . . . 297 E CG . 17007 1 655 . 1 1 56 56 GLU N N 15 122.491 0.000 . 1 . . . . 297 E N . 17007 1 656 . 1 1 57 57 ILE H H 1 8.941 0.000 . 1 . . . . 298 I HN . 17007 1 657 . 1 1 57 57 ILE HA H 1 4.348 0.012 . 1 . . . . 298 I HA . 17007 1 658 . 1 1 57 57 ILE HB H 1 1.790 0.000 . 1 . . . . 298 I HB . 17007 1 659 . 1 1 57 57 ILE HD11 H 1 0.703 0.000 . . . . . . 298 I QD1 . 17007 1 660 . 1 1 57 57 ILE HD12 H 1 0.703 0.000 . . . . . . 298 I QD1 . 17007 1 661 . 1 1 57 57 ILE HD13 H 1 0.703 0.000 . . . . . . 298 I QD1 . 17007 1 662 . 1 1 57 57 ILE HG12 H 1 0.870 0.000 . 2 . . . . 298 I HG12 . 17007 1 663 . 1 1 57 57 ILE HG13 H 1 1.671 0.000 . 2 . . . . 298 I HG13 . 17007 1 664 . 1 1 57 57 ILE HG21 H 1 0.862 0.000 . . . . . . 298 I QG2 . 17007 1 665 . 1 1 57 57 ILE HG22 H 1 0.862 0.000 . . . . . . 298 I QG2 . 17007 1 666 . 1 1 57 57 ILE HG23 H 1 0.862 0.000 . . . . . . 298 I QG2 . 17007 1 667 . 1 1 57 57 ILE C C 13 176.214 0.000 . 1 . . . . 298 I C . 17007 1 668 . 1 1 57 57 ILE CA C 13 61.211 0.013 . 1 . . . . 298 I CA . 17007 1 669 . 1 1 57 57 ILE CB C 13 38.566 0.058 . 1 . . . . 298 I CB . 17007 1 670 . 1 1 57 57 ILE CD1 C 13 14.377 0.000 . 1 . . . . 298 I CD1 . 17007 1 671 . 1 1 57 57 ILE CG1 C 13 26.655 0.001 . 1 . . . . 298 I CG1 . 17007 1 672 . 1 1 57 57 ILE CG2 C 13 17.611 0.000 . 1 . . . . 298 I CG2 . 17007 1 673 . 1 1 57 57 ILE N N 15 121.453 0.000 . 1 . . . . 298 I N . 17007 1 674 . 1 1 58 58 GLY H H 1 8.805 0.000 . 1 . . . . 299 G HN . 17007 1 675 . 1 1 58 58 GLY HA2 H 1 3.827 0.000 . . . . . . 299 G HA1 . 17007 1 676 . 1 1 58 58 GLY HA3 H 1 4.117 0.000 . 2 . . . . 299 G HA2 . 17007 1 677 . 1 1 58 58 GLY C C 13 174.504 0.000 . 1 . . . . 299 G C . 17007 1 678 . 1 1 58 58 GLY CA C 13 44.822 0.027 . 1 . . . . 299 G CA . 17007 1 679 . 1 1 58 58 GLY N N 15 112.842 0.000 . 1 . . . . 299 G N . 17007 1 680 . 1 1 59 59 ILE H H 1 8.567 0.000 . 1 . . . . 300 I HN . 17007 1 681 . 1 1 59 59 ILE HA H 1 3.607 0.004 . 1 . . . . 300 I HA . 17007 1 682 . 1 1 59 59 ILE HB H 1 1.685 0.000 . 1 . . . . 300 I HB . 17007 1 683 . 1 1 59 59 ILE HD11 H 1 0.726 0.000 . . . . . . 300 I QD1 . 17007 1 684 . 1 1 59 59 ILE HD12 H 1 0.726 0.000 . . . . . . 300 I QD1 . 17007 1 685 . 1 1 59 59 ILE HD13 H 1 0.726 0.000 . . . . . . 300 I QD1 . 17007 1 686 . 1 1 59 59 ILE HG12 H 1 0.995 0.000 . 2 . . . . 300 I HG12 . 17007 1 687 . 1 1 59 59 ILE HG13 H 1 1.421 0.000 . 2 . . . . 300 I HG13 . 17007 1 688 . 1 1 59 59 ILE HG21 H 1 0.989 0.000 . . . . . . 300 I QG2 . 17007 1 689 . 1 1 59 59 ILE HG22 H 1 0.989 0.000 . . . . . . 300 I QG2 . 17007 1 690 . 1 1 59 59 ILE HG23 H 1 0.989 0.000 . . . . . . 300 I QG2 . 17007 1 691 . 1 1 59 59 ILE CA C 13 64.259 0.019 . 1 . . . . 300 I CA . 17007 1 692 . 1 1 59 59 ILE CB C 13 37.178 0.011 . 1 . . . . 300 I CB . 17007 1 693 . 1 1 59 59 ILE CD1 C 13 12.557 0.000 . 1 . . . . 300 I CD1 . 17007 1 694 . 1 1 59 59 ILE CG1 C 13 28.219 0.000 . 1 . . . . 300 I CG1 . 17007 1 695 . 1 1 59 59 ILE CG2 C 13 17.537 0.000 . 1 . . . . 300 I CG2 . 17007 1 696 . 1 1 59 59 ILE N N 15 122.853 0.000 . 1 . . . . 300 I N . 17007 1 697 . 1 1 60 60 LYS H H 1 8.862 0.000 . 1 . . . . 301 K HN . 17007 1 698 . 1 1 60 60 LYS HA H 1 3.874 0.005 . 1 . . . . 301 K HA . 17007 1 699 . 1 1 60 60 LYS HB2 H 1 2.145 0.000 . 2 . . . . 301 K HB2 . 17007 1 700 . 1 1 60 60 LYS HB3 H 1 2.237 0.000 . 2 . . . . 301 K HB3 . 17007 1 701 . 1 1 60 60 LYS HD2 H 1 1.719 0.000 . 2 . . . . 301 K HD2 . 17007 1 702 . 1 1 60 60 LYS HD3 H 1 1.784 0.000 . 2 . . . . 301 K HD3 . 17007 1 703 . 1 1 60 60 LYS HE2 H 1 3.010 0.000 . 2 . . . . 301 K HE2 . 17007 1 704 . 1 1 60 60 LYS HE3 H 1 3.024 0.000 . 2 . . . . 301 K HE3 . 17007 1 705 . 1 1 60 60 LYS HG2 H 1 1.437 0.000 . 2 . . . . 301 K HG2 . 17007 1 706 . 1 1 60 60 LYS HG3 H 1 1.547 0.000 . 2 . . . . 301 K HG3 . 17007 1 707 . 1 1 60 60 LYS C C 13 175.515 0.000 . 1 . . . . 301 K C . 17007 1 708 . 1 1 60 60 LYS CA C 13 59.105 0.002 . 1 . . . . 301 K CA . 17007 1 709 . 1 1 60 60 LYS CB C 13 29.872 0.018 . 1 . . . . 301 K CB . 17007 1 710 . 1 1 60 60 LYS CD C 13 29.323 0.002 . 1 . . . . 301 K CD . 17007 1 711 . 1 1 60 60 LYS CE C 13 42.202 0.000 . 1 . . . . 301 K CE . 17007 1 712 . 1 1 60 60 LYS CG C 13 26.436 0.001 . 1 . . . . 301 K CG . 17007 1 713 . 1 1 60 60 LYS N N 15 117.852 0.000 . 1 . . . . 301 K N . 17007 1 714 . 1 1 61 61 GLY H H 1 8.398 0.000 . 1 . . . . 302 G HN . 17007 1 715 . 1 1 61 61 GLY HA2 H 1 3.595 0.000 . . . . . . 302 G HA1 . 17007 1 716 . 1 1 61 61 GLY HA3 H 1 4.266 0.000 . 2 . . . . 302 G HA2 . 17007 1 717 . 1 1 61 61 GLY C C 13 171.955 0.000 . 1 . . . . 302 G C . 17007 1 718 . 1 1 61 61 GLY CA C 13 44.632 0.021 . 1 . . . . 302 G CA . 17007 1 719 . 1 1 61 61 GLY N N 15 107.144 0.000 . 1 . . . . 302 G N . 17007 1 720 . 1 1 62 62 GLN H H 1 8.407 0.000 . 1 . . . . 303 Q HN . 17007 1 721 . 1 1 62 62 GLN HA H 1 5.664 0.001 . 1 . . . . 303 Q HA . 17007 1 722 . 1 1 62 62 GLN HB2 H 1 1.768 0.000 . 2 . . . . 303 Q HB2 . 17007 1 723 . 1 1 62 62 GLN HB3 H 1 1.931 0.000 . 2 . . . . 303 Q HB3 . 17007 1 724 . 1 1 62 62 GLN HE21 H 1 6.797 0.002 . 2 . . . . 303 Q HE21 . 17007 1 725 . 1 1 62 62 GLN HE22 H 1 7.109 0.001 . 2 . . . . 303 Q HE22 . 17007 1 726 . 1 1 62 62 GLN HG2 H 1 2.079 0.000 . 2 . . . . 303 Q HG2 . 17007 1 727 . 1 1 62 62 GLN HG3 H 1 2.118 0.000 . 2 . . . . 303 Q HG3 . 17007 1 728 . 1 1 62 62 GLN C C 13 175.015 0.000 . 1 . . . . 303 Q C . 17007 1 729 . 1 1 62 62 GLN CA C 13 53.520 0.018 . 1 . . . . 303 Q CA . 17007 1 730 . 1 1 62 62 GLN CB C 13 33.465 0.086 . 1 . . . . 303 Q CB . 17007 1 731 . 1 1 62 62 GLN CD C 13 180.091 0.011 . 1 . . . . 303 Q CD . 17007 1 732 . 1 1 62 62 GLN CG C 13 33.874 0.002 . 1 . . . . 303 Q CG . 17007 1 733 . 1 1 62 62 GLN N N 15 117.023 0.000 . 1 . . . . 303 Q N . 17007 1 734 . 1 1 62 62 GLN NE2 N 15 110.896 0.000 . 1 . . . . 303 Q NE2 . 17007 1 735 . 1 1 63 63 LYS H H 1 8.691 0.000 . 1 . . . . 304 K HN . 17007 1 736 . 1 1 63 63 LYS HA H 1 4.696 0.006 . 1 . . . . 304 K HA . 17007 1 737 . 1 1 63 63 LYS HB2 H 1 1.610 0.000 . 2 . . . . 304 K HB2 . 17007 1 738 . 1 1 63 63 LYS HB3 H 1 1.718 0.000 . 2 . . . . 304 K HB3 . 17007 1 739 . 1 1 63 63 LYS HD2 H 1 1.837 0.000 . 2 . . . . 304 K HD2 . 17007 1 740 . 1 1 63 63 LYS HD3 H 1 1.962 0.000 . 2 . . . . 304 K HD3 . 17007 1 741 . 1 1 63 63 LYS HE2 H 1 3.110 0.000 . 2 . . . . 304 K HE2 . 17007 1 742 . 1 1 63 63 LYS HE3 H 1 3.238 0.000 . 2 . . . . 304 K HE3 . 17007 1 743 . 1 1 63 63 LYS HG2 H 1 1.343 0.000 . 2 . . . . 304 K HG2 . 17007 1 744 . 1 1 63 63 LYS HG3 H 1 1.387 0.000 . 2 . . . . 304 K HG3 . 17007 1 745 . 1 1 63 63 LYS C C 13 173.253 0.000 . 1 . . . . 304 K C . 17007 1 746 . 1 1 63 63 LYS CA C 13 54.321 0.028 . 1 . . . . 304 K CA . 17007 1 747 . 1 1 63 63 LYS CB C 13 36.787 0.052 . 1 . . . . 304 K CB . 17007 1 748 . 1 1 63 63 LYS CD C 13 28.438 0.003 . 1 . . . . 304 K CD . 17007 1 749 . 1 1 63 63 LYS CE C 13 42.295 0.000 . 1 . . . . 304 K CE . 17007 1 750 . 1 1 63 63 LYS CG C 13 24.649 0.007 . 1 . . . . 304 K CG . 17007 1 751 . 1 1 63 63 LYS N N 15 122.785 0.000 . 1 . . . . 304 K N . 17007 1 752 . 1 1 64 64 GLU H H 1 8.778 0.000 . 1 . . . . 305 E HN . 17007 1 753 . 1 1 64 64 GLU HA H 1 5.253 0.018 . 1 . . . . 305 E HA . 17007 1 754 . 1 1 64 64 GLU HB2 H 1 1.704 0.000 . 2 . . . . 305 E HB2 . 17007 1 755 . 1 1 64 64 GLU HB3 H 1 2.010 0.000 . 2 . . . . 305 E HB3 . 17007 1 756 . 1 1 64 64 GLU HG2 H 1 2.102 0.000 . 2 . . . . 305 E HG2 . 17007 1 757 . 1 1 64 64 GLU HG3 H 1 2.269 0.000 . 2 . . . . 305 E HG3 . 17007 1 758 . 1 1 64 64 GLU C C 13 174.762 0.000 . 1 . . . . 305 E C . 17007 1 759 . 1 1 64 64 GLU CA C 13 54.715 0.021 . 1 . . . . 305 E CA . 17007 1 760 . 1 1 64 64 GLU CB C 13 32.920 0.055 . 1 . . . . 305 E CB . 17007 1 761 . 1 1 64 64 GLU CG C 13 37.266 0.001 . 1 . . . . 305 E CG . 17007 1 762 . 1 1 64 64 GLU N N 15 125.671 0.000 . 1 . . . . 305 E N . 17007 1 763 . 1 1 65 65 LEU H H 1 8.940 0.000 . 1 . . . . 306 L HN . 17007 1 764 . 1 1 65 65 LEU HA H 1 4.984 0.005 . 1 . . . . 306 L HA . 17007 1 765 . 1 1 65 65 LEU HB2 H 1 1.396 0.000 . 2 . . . . 306 L HB2 . 17007 1 766 . 1 1 65 65 LEU HB3 H 1 1.638 0.000 . 2 . . . . 306 L HB3 . 17007 1 767 . 1 1 65 65 LEU HD11 H 1 0.994 0.000 . . . . . . 306 L QD1 . 17007 1 768 . 1 1 65 65 LEU HD12 H 1 0.994 0.000 . . . . . . 306 L QD1 . 17007 1 769 . 1 1 65 65 LEU HD13 H 1 0.994 0.000 . . . . . . 306 L QD1 . 17007 1 770 . 1 1 65 65 LEU HD21 H 1 0.314 0.000 . . . . . . 306 L QD2 . 17007 1 771 . 1 1 65 65 LEU HD22 H 1 0.314 0.000 . . . . . . 306 L QD2 . 17007 1 772 . 1 1 65 65 LEU HD23 H 1 0.314 0.000 . . . . . . 306 L QD2 . 17007 1 773 . 1 1 65 65 LEU HG H 1 1.274 0.000 . 1 . . . . 306 L HG . 17007 1 774 . 1 1 65 65 LEU C C 13 175.002 0.000 . 1 . . . . 306 L C . 17007 1 775 . 1 1 65 65 LEU CA C 13 52.867 0.025 . 1 . . . . 306 L CA . 17007 1 776 . 1 1 65 65 LEU CB C 13 46.823 0.041 . 1 . . . . 306 L CB . 17007 1 777 . 1 1 65 65 LEU CD1 C 13 23.846 0.000 . 2 . . . . 306 L CD1 . 17007 1 778 . 1 1 65 65 LEU CD2 C 13 26.872 0.000 . 2 . . . . 306 L CD2 . 17007 1 779 . 1 1 65 65 LEU CG C 13 26.637 0.000 . 1 . . . . 306 L CG . 17007 1 780 . 1 1 65 65 LEU N N 15 120.177 0.000 . 1 . . . . 306 L N . 17007 1 781 . 1 1 66 66 TRP H H 1 8.902 0.000 . 1 . . . . 307 W HN . 17007 1 782 . 1 1 66 66 TRP HA H 1 5.681 0.013 . 1 . . . . 307 W HA . 17007 1 783 . 1 1 66 66 TRP HB2 H 1 3.096 0.000 . 2 . . . . 307 W HB2 . 17007 1 784 . 1 1 66 66 TRP HB3 H 1 3.141 0.000 . 2 . . . . 307 W HB3 . 17007 1 785 . 1 1 66 66 TRP HD1 H 1 7.160 0.002 . 1 . . . . 307 W HD1 . 17007 1 786 . 1 1 66 66 TRP HE3 H 1 7.605 0.000 . 1 . . . . 307 W HE3 . 17007 1 787 . 1 1 66 66 TRP HH2 H 1 6.824 0.000 . 1 . . . . 307 W HH2 . 17007 1 788 . 1 1 66 66 TRP HZ2 H 1 6.997 0.000 . 1 . . . . 307 W HZ2 . 17007 1 789 . 1 1 66 66 TRP HZ3 H 1 6.901 0.000 . 1 . . . . 307 W HZ3 . 17007 1 790 . 1 1 66 66 TRP C C 13 174.920 0.000 . 1 . . . . 307 W C . 17007 1 791 . 1 1 66 66 TRP CA C 13 57.001 0.026 . 1 . . . . 307 W CA . 17007 1 792 . 1 1 66 66 TRP CB C 13 33.532 0.069 . 1 . . . . 307 W CB . 17007 1 793 . 1 1 66 66 TRP CD1 C 13 126.673 0.000 . 1 . . . . 307 W CD1 . 17007 1 794 . 1 1 66 66 TRP CE3 C 13 120.474 0.000 . 1 . . . . 307 W CE3 . 17007 1 795 . 1 1 66 66 TRP CH2 C 13 124.018 0.000 . 1 . . . . 307 W CH2 . 17007 1 796 . 1 1 66 66 TRP CZ2 C 13 113.736 0.000 . 1 . . . . 307 W CZ2 . 17007 1 797 . 1 1 66 66 TRP CZ3 C 13 121.710 0.000 . 1 . . . . 307 W CZ3 . 17007 1 798 . 1 1 66 66 TRP N N 15 121.269 0.000 . 1 . . . . 307 W N . 17007 1 799 . 1 1 67 67 PHE H H 1 9.304 0.000 . 1 . . . . 308 F HN . 17007 1 800 . 1 1 67 67 PHE HA H 1 4.884 0.002 . 1 . . . . 308 F HA . 17007 1 801 . 1 1 67 67 PHE HB2 H 1 3.081 0.000 . 2 . . . . 308 F HB2 . 17007 1 802 . 1 1 67 67 PHE HB3 H 1 3.228 0.000 . 2 . . . . 308 F HB3 . 17007 1 803 . 1 1 67 67 PHE C C 13 171.664 0.000 . 1 . . . . 308 F C . 17007 1 804 . 1 1 67 67 PHE CA C 13 57.997 0.025 . 1 . . . . 308 F CA . 17007 1 805 . 1 1 67 67 PHE CB C 13 44.402 0.014 . 1 . . . . 308 F CB . 17007 1 806 . 1 1 67 67 PHE N N 15 121.777 0.000 . 1 . . . . 308 F N . 17007 1 807 . 1 1 68 68 PHE H H 1 7.569 0.000 . 1 . . . . 309 F HN . 17007 1 808 . 1 1 68 68 PHE HA H 1 4.768 0.002 . 1 . . . . 309 F HA . 17007 1 809 . 1 1 68 68 PHE HB2 H 1 2.879 0.000 . 2 . . . . 309 F HB2 . 17007 1 810 . 1 1 68 68 PHE HB3 H 1 2.894 0.000 . 2 . . . . 309 F HB3 . 17007 1 811 . 1 1 68 68 PHE HD1 H 1 7.311 0.001 . 3 . . . . 309 F QD . 17007 1 812 . 1 1 68 68 PHE HD2 H 1 7.311 0.001 . 3 . . . . 309 F QD . 17007 1 813 . 1 1 68 68 PHE HE1 H 1 7.362 0.002 . 3 . . . . 309 F QE . 17007 1 814 . 1 1 68 68 PHE HE2 H 1 7.362 0.002 . 3 . . . . 309 F QE . 17007 1 815 . 1 1 68 68 PHE HZ H 1 7.262 0.000 . 1 . . . . 309 F HZ . 17007 1 816 . 1 1 68 68 PHE CA C 13 54.160 0.008 . 1 . . . . 309 F CA . 17007 1 817 . 1 1 68 68 PHE CB C 13 41.841 0.028 . 1 . . . . 309 F CB . 17007 1 818 . 1 1 68 68 PHE CD1 C 13 132.566 0.000 . 3 . . . . 309 F CD1 . 17007 1 819 . 1 1 68 68 PHE CE1 C 13 131.396 0.000 . 3 . . . . 309 F CE1 . 17007 1 820 . 1 1 68 68 PHE CZ C 13 129.866 0.000 . 1 . . . . 309 F CZ . 17007 1 821 . 1 1 68 68 PHE N N 15 127.435 0.000 . 1 . . . . 309 F N . 17007 1 822 . 1 1 69 69 PRO HA H 1 4.171 0.016 . 1 . . . . 310 P HA . 17007 1 823 . 1 1 69 69 PRO HB2 H 1 1.869 0.000 . 2 . . . . 310 P HB2 . 17007 1 824 . 1 1 69 69 PRO HB3 H 1 2.131 0.000 . 2 . . . . 310 P HB3 . 17007 1 825 . 1 1 69 69 PRO HD2 H 1 3.268 0.000 . 2 . . . . 310 P HD2 . 17007 1 826 . 1 1 69 69 PRO HD3 H 1 3.426 0.000 . 2 . . . . 310 P HD3 . 17007 1 827 . 1 1 69 69 PRO HG2 H 1 1.740 0.000 . 2 . . . . 310 P HG2 . 17007 1 828 . 1 1 69 69 PRO HG3 H 1 1.818 0.000 . 2 . . . . 310 P HG3 . 17007 1 829 . 1 1 69 69 PRO C C 13 174.006 0.000 . 1 . . . . 310 P C . 17007 1 830 . 1 1 69 69 PRO CA C 13 62.457 0.027 . 1 . . . . 310 P CA . 17007 1 831 . 1 1 69 69 PRO CB C 13 34.388 0.022 . 1 . . . . 310 P CB . 17007 1 832 . 1 1 69 69 PRO CD C 13 49.409 0.001 . 1 . . . . 310 P CD . 17007 1 833 . 1 1 69 69 PRO CG C 13 24.349 0.001 . 1 . . . . 310 P CG . 17007 1 834 . 1 1 70 70 SER H H 1 7.404 0.000 . 1 . . . . 311 S HN . 17007 1 835 . 1 1 70 70 SER HA H 1 4.010 0.015 . 1 . . . . 311 S HA . 17007 1 836 . 1 1 70 70 SER HB2 H 1 3.602 0.000 . 2 . . . . 311 S HB2 . 17007 1 837 . 1 1 70 70 SER HB3 H 1 3.622 0.000 . 2 . . . . 311 S HB3 . 17007 1 838 . 1 1 70 70 SER C C 13 173.737 0.000 . 1 . . . . 311 S C . 17007 1 839 . 1 1 70 70 SER CA C 13 59.105 0.021 . 1 . . . . 311 S CA . 17007 1 840 . 1 1 70 70 SER CB C 13 63.581 0.036 . 1 . . . . 311 S CB . 17007 1 841 . 1 1 70 70 SER N N 15 108.009 0.000 . 1 . . . . 311 S N . 17007 1 842 . 1 1 71 71 LEU H H 1 6.302 0.000 . 1 . . . . 312 L HN . 17007 1 843 . 1 1 71 71 LEU HA H 1 4.756 0.000 . 1 . . . . 312 L HA . 17007 1 844 . 1 1 71 71 LEU HB2 H 1 1.183 0.000 . 2 . . . . 312 L HB2 . 17007 1 845 . 1 1 71 71 LEU HB3 H 1 1.396 0.000 . 2 . . . . 312 L HB3 . 17007 1 846 . 1 1 71 71 LEU HD11 H 1 0.908 0.000 . . . . . . 312 L QD1 . 17007 1 847 . 1 1 71 71 LEU HD12 H 1 0.908 0.000 . . . . . . 312 L QD1 . 17007 1 848 . 1 1 71 71 LEU HD13 H 1 0.908 0.000 . . . . . . 312 L QD1 . 17007 1 849 . 1 1 71 71 LEU HD21 H 1 0.569 0.000 . . . . . . 312 L QD2 . 17007 1 850 . 1 1 71 71 LEU HD22 H 1 0.569 0.000 . . . . . . 312 L QD2 . 17007 1 851 . 1 1 71 71 LEU HD23 H 1 0.569 0.000 . . . . . . 312 L QD2 . 17007 1 852 . 1 1 71 71 LEU HG H 1 1.658 0.000 . 1 . . . . 312 L HG . 17007 1 853 . 1 1 71 71 LEU CA C 13 52.085 0.001 . 1 . . . . 312 L CA . 17007 1 854 . 1 1 71 71 LEU CB C 13 44.135 0.076 . 1 . . . . 312 L CB . 17007 1 855 . 1 1 71 71 LEU CD1 C 13 23.072 0.000 . 2 . . . . 312 L CD1 . 17007 1 856 . 1 1 71 71 LEU CD2 C 13 25.520 0.000 . 2 . . . . 312 L CD2 . 17007 1 857 . 1 1 71 71 LEU CG C 13 26.935 0.000 . 1 . . . . 312 L CG . 17007 1 858 . 1 1 71 71 LEU N N 15 121.509 0.000 . 1 . . . . 312 L N . 17007 1 859 . 1 1 72 72 PRO HA H 1 4.322 0.014 . 1 . . . . 313 P HA . 17007 1 860 . 1 1 72 72 PRO HB2 H 1 1.877 0.000 . 2 . . . . 313 P HB2 . 17007 1 861 . 1 1 72 72 PRO HB3 H 1 2.309 0.000 . 2 . . . . 313 P HB3 . 17007 1 862 . 1 1 72 72 PRO HD2 H 1 3.548 0.000 . 2 . . . . 313 P HD2 . 17007 1 863 . 1 1 72 72 PRO HD3 H 1 3.787 0.000 . 2 . . . . 313 P HD3 . 17007 1 864 . 1 1 72 72 PRO HG2 H 1 1.963 0.000 . 2 . . . . 313 P HG2 . 17007 1 865 . 1 1 72 72 PRO HG3 H 1 2.159 0.000 . 2 . . . . 313 P HG3 . 17007 1 866 . 1 1 72 72 PRO C C 13 175.372 0.000 . 1 . . . . 313 P C . 17007 1 867 . 1 1 72 72 PRO CA C 13 63.227 0.029 . 1 . . . . 313 P CA . 17007 1 868 . 1 1 72 72 PRO CB C 13 31.709 0.025 . 1 . . . . 313 P CB . 17007 1 869 . 1 1 72 72 PRO CD C 13 50.070 0.002 . 1 . . . . 313 P CD . 17007 1 870 . 1 1 72 72 PRO CG C 13 27.749 0.004 . 1 . . . . 313 P CG . 17007 1 871 . 1 1 73 73 THR H H 1 7.734 0.000 . 1 . . . . 314 T HN . 17007 1 872 . 1 1 73 73 THR HA H 1 4.253 0.002 . 1 . . . . 314 T HA . 17007 1 873 . 1 1 73 73 THR HB H 1 4.371 0.000 . 1 . . . . 314 T HB . 17007 1 874 . 1 1 73 73 THR HG21 H 1 0.856 0.000 . . . . . . 314 T QG2 . 17007 1 875 . 1 1 73 73 THR HG22 H 1 0.856 0.000 . . . . . . 314 T QG2 . 17007 1 876 . 1 1 73 73 THR HG23 H 1 0.856 0.000 . . . . . . 314 T QG2 . 17007 1 877 . 1 1 73 73 THR CA C 13 57.699 0.012 . 1 . . . . 314 T CA . 17007 1 878 . 1 1 73 73 THR CB C 13 68.805 0.056 . 1 . . . . 314 T CB . 17007 1 879 . 1 1 73 73 THR CG2 C 13 22.659 0.000 . 1 . . . . 314 T CG2 . 17007 1 880 . 1 1 73 73 THR N N 15 109.997 0.000 . 1 . . . . 314 T N . 17007 1 881 . 1 1 74 74 PRO HA H 1 4.604 0.007 . 1 . . . . 315 P HA . 17007 1 882 . 1 1 74 74 PRO HB2 H 1 1.800 0.000 . 2 . . . . 315 P HB2 . 17007 1 883 . 1 1 74 74 PRO HB3 H 1 1.989 0.000 . 2 . . . . 315 P HB3 . 17007 1 884 . 1 1 74 74 PRO HD2 H 1 3.513 0.000 . 2 . . . . 315 P HD2 . 17007 1 885 . 1 1 74 74 PRO HD3 H 1 3.585 0.000 . 2 . . . . 315 P HD3 . 17007 1 886 . 1 1 74 74 PRO HG2 H 1 1.629 0.000 . 2 . . . . 315 P HG2 . 17007 1 887 . 1 1 74 74 PRO HG3 H 1 1.805 0.000 . 2 . . . . 315 P HG3 . 17007 1 888 . 1 1 74 74 PRO C C 13 177.220 0.000 . 1 . . . . 315 P C . 17007 1 889 . 1 1 74 74 PRO CA C 13 61.683 0.003 . 1 . . . . 315 P CA . 17007 1 890 . 1 1 74 74 PRO CB C 13 35.109 0.044 . 1 . . . . 315 P CB . 17007 1 891 . 1 1 74 74 PRO CD C 13 50.936 0.002 . 1 . . . . 315 P CD . 17007 1 892 . 1 1 74 74 PRO CG C 13 24.806 0.005 . 1 . . . . 315 P CG . 17007 1 893 . 1 1 75 75 LEU H H 1 9.401 0.000 . 1 . . . . 316 L HN . 17007 1 894 . 1 1 75 75 LEU HA H 1 4.211 0.016 . 1 . . . . 316 L HA . 17007 1 895 . 1 1 75 75 LEU HB2 H 1 0.583 0.000 . 2 . . . . 316 L HB2 . 17007 1 896 . 1 1 75 75 LEU HB3 H 1 1.450 0.000 . 2 . . . . 316 L HB3 . 17007 1 897 . 1 1 75 75 LEU HD11 H 1 0.174 0.000 . . . . . . 316 L QD1 . 17007 1 898 . 1 1 75 75 LEU HD12 H 1 0.174 0.000 . . . . . . 316 L QD1 . 17007 1 899 . 1 1 75 75 LEU HD13 H 1 0.174 0.000 . . . . . . 316 L QD1 . 17007 1 900 . 1 1 75 75 LEU HD21 H 1 0.368 0.000 . . . . . . 316 L QD2 . 17007 1 901 . 1 1 75 75 LEU HD22 H 1 0.368 0.000 . . . . . . 316 L QD2 . 17007 1 902 . 1 1 75 75 LEU HD23 H 1 0.368 0.000 . . . . . . 316 L QD2 . 17007 1 903 . 1 1 75 75 LEU HG H 1 1.249 0.000 . 1 . . . . 316 L HG . 17007 1 904 . 1 1 75 75 LEU C C 13 176.653 0.000 . 1 . . . . 316 L C . 17007 1 905 . 1 1 75 75 LEU CA C 13 52.824 0.018 . 1 . . . . 316 L CA . 17007 1 906 . 1 1 75 75 LEU CB C 13 38.118 0.025 . 1 . . . . 316 L CB . 17007 1 907 . 1 1 75 75 LEU CD1 C 13 22.306 0.000 . 2 . . . . 316 L CD1 . 17007 1 908 . 1 1 75 75 LEU CD2 C 13 26.502 0.000 . 2 . . . . 316 L CD2 . 17007 1 909 . 1 1 75 75 LEU CG C 13 25.959 0.000 . 1 . . . . 316 L CG . 17007 1 910 . 1 1 75 75 LEU N N 15 128.050 0.000 . 1 . . . . 316 L N . 17007 1 911 . 1 1 76 76 SER H H 1 7.921 0.000 . 1 . . . . 317 S HN . 17007 1 912 . 1 1 76 76 SER HA H 1 4.171 0.007 . 1 . . . . 317 S HA . 17007 1 913 . 1 1 76 76 SER HB2 H 1 3.699 0.000 . 2 . . . . 317 S HB2 . 17007 1 914 . 1 1 76 76 SER HB3 H 1 3.925 0.000 . 2 . . . . 317 S HB3 . 17007 1 915 . 1 1 76 76 SER C C 13 176.250 0.000 . 1 . . . . 317 S C . 17007 1 916 . 1 1 76 76 SER CA C 13 60.549 0.023 . 1 . . . . 317 S CA . 17007 1 917 . 1 1 76 76 SER CB C 13 63.261 0.062 . 1 . . . . 317 S CB . 17007 1 918 . 1 1 76 76 SER N N 15 116.102 0.000 . 1 . . . . 317 S N . 17007 1 919 . 1 1 77 77 ASN H H 1 8.759 0.000 . 1 . . . . 318 N HN . 17007 1 920 . 1 1 77 77 ASN HA H 1 4.461 0.007 . 1 . . . . 318 N HA . 17007 1 921 . 1 1 77 77 ASN HB2 H 1 3.146 0.000 . 2 . . . . 318 N HB2 . 17007 1 922 . 1 1 77 77 ASN HB3 H 1 3.182 0.000 . 2 . . . . 318 N HB3 . 17007 1 923 . 1 1 77 77 ASN HD21 H 1 7.074 0.004 . 2 . . . . 318 N HD21 . 17007 1 924 . 1 1 77 77 ASN HD22 H 1 7.600 0.002 . 2 . . . . 318 N HD22 . 17007 1 925 . 1 1 77 77 ASN C C 13 174.996 0.000 . 1 . . . . 318 N C . 17007 1 926 . 1 1 77 77 ASN CA C 13 55.524 0.037 . 1 . . . . 318 N CA . 17007 1 927 . 1 1 77 77 ASN CB C 13 37.630 0.058 . 1 . . . . 318 N CB . 17007 1 928 . 1 1 77 77 ASN CG C 13 178.370 0.008 . 1 . . . . 318 N CG . 17007 1 929 . 1 1 77 77 ASN N N 15 116.397 0.000 . 1 . . . . 318 N N . 17007 1 930 . 1 1 77 77 ASN ND2 N 15 114.323 0.005 . 1 . . . . 318 N ND2 . 17007 1 931 . 1 1 78 78 TYR H H 1 8.396 0.000 . 1 . . . . 319 Y HN . 17007 1 932 . 1 1 78 78 TYR HA H 1 4.895 0.005 . 1 . . . . 319 Y HA . 17007 1 933 . 1 1 78 78 TYR HB2 H 1 2.608 0.000 . 2 . . . . 319 Y HB2 . 17007 1 934 . 1 1 78 78 TYR HB3 H 1 3.497 0.000 . 2 . . . . 319 Y HB3 . 17007 1 935 . 1 1 78 78 TYR HD1 H 1 7.055 0.002 . 3 . . . . 319 Y QD . 17007 1 936 . 1 1 78 78 TYR HD2 H 1 7.055 0.002 . 3 . . . . 319 Y QD . 17007 1 937 . 1 1 78 78 TYR HE1 H 1 6.960 0.000 . 3 . . . . 319 Y QE . 17007 1 938 . 1 1 78 78 TYR HE2 H 1 6.960 0.000 . 3 . . . . 319 Y QE . 17007 1 939 . 1 1 78 78 TYR C C 13 176.498 0.000 . 1 . . . . 319 Y C . 17007 1 940 . 1 1 78 78 TYR CA C 13 58.406 0.021 . 1 . . . . 319 Y CA . 17007 1 941 . 1 1 78 78 TYR CB C 13 38.803 0.038 . 1 . . . . 319 Y CB . 17007 1 942 . 1 1 78 78 TYR CD1 C 13 132.868 0.000 . 3 . . . . 319 Y CD1 . 17007 1 943 . 1 1 78 78 TYR CE1 C 13 118.781 0.000 . 3 . . . . 319 Y CE1 . 17007 1 944 . 1 1 78 78 TYR N N 15 119.444 0.000 . 1 . . . . 319 Y N . 17007 1 945 . 1 1 79 79 THR H H 1 9.123 0.000 . 1 . . . . 320 T HN . 17007 1 946 . 1 1 79 79 THR HA H 1 4.745 0.004 . 1 . . . . 320 T HA . 17007 1 947 . 1 1 79 79 THR HB H 1 4.038 0.000 . 1 . . . . 320 T HB . 17007 1 948 . 1 1 79 79 THR HG21 H 1 1.166 0.000 . . . . . . 320 T QG2 . 17007 1 949 . 1 1 79 79 THR HG22 H 1 1.166 0.000 . . . . . . 320 T QG2 . 17007 1 950 . 1 1 79 79 THR HG23 H 1 1.166 0.000 . . . . . . 320 T QG2 . 17007 1 951 . 1 1 79 79 THR C C 13 174.023 0.000 . 1 . . . . 320 T C . 17007 1 952 . 1 1 79 79 THR CA C 13 63.334 0.028 . 1 . . . . 320 T CA . 17007 1 953 . 1 1 79 79 THR CB C 13 69.928 0.043 . 1 . . . . 320 T CB . 17007 1 954 . 1 1 79 79 THR CG2 C 13 21.430 0.000 . 1 . . . . 320 T CG2 . 17007 1 955 . 1 1 79 79 THR N N 15 118.448 0.000 . 1 . . . . 320 T N . 17007 1 956 . 1 1 80 80 MET H H 1 9.051 0.000 . 1 . . . . 321 M HN . 17007 1 957 . 1 1 80 80 MET HA H 1 5.266 0.018 . 1 . . . . 321 M HA . 17007 1 958 . 1 1 80 80 MET HB2 H 1 1.591 0.000 . 2 . . . . 321 M HB2 . 17007 1 959 . 1 1 80 80 MET HB3 H 1 1.735 0.000 . 2 . . . . 321 M HB3 . 17007 1 960 . 1 1 80 80 MET HE1 H 1 1.866 0.000 . . . . . . 321 M QE . 17007 1 961 . 1 1 80 80 MET HE2 H 1 1.866 0.000 . . . . . . 321 M QE . 17007 1 962 . 1 1 80 80 MET HE3 H 1 1.866 0.000 . . . . . . 321 M QE . 17007 1 963 . 1 1 80 80 MET HG2 H 1 2.389 0.000 . 2 . . . . 321 M HG2 . 17007 1 964 . 1 1 80 80 MET HG3 H 1 2.495 0.000 . 2 . . . . 321 M HG3 . 17007 1 965 . 1 1 80 80 MET C C 13 173.495 0.000 . 1 . . . . 321 M C . 17007 1 966 . 1 1 80 80 MET CA C 13 54.563 0.001 . 1 . . . . 321 M CA . 17007 1 967 . 1 1 80 80 MET CB C 13 35.596 0.027 . 1 . . . . 321 M CB . 17007 1 968 . 1 1 80 80 MET CE C 13 19.867 0.000 . 1 . . . . 321 M CE . 17007 1 969 . 1 1 80 80 MET CG C 13 35.526 0.005 . 1 . . . . 321 M CG . 17007 1 970 . 1 1 80 80 MET N N 15 126.876 0.000 . 1 . . . . 321 M N . 17007 1 971 . 1 1 81 81 LYS H H 1 8.985 0.000 . 1 . . . . 322 K HN . 17007 1 972 . 1 1 81 81 LYS HA H 1 5.212 0.018 . 1 . . . . 322 K HA . 17007 1 973 . 1 1 81 81 LYS HB2 H 1 1.498 0.000 . 2 . . . . 322 K HB2 . 17007 1 974 . 1 1 81 81 LYS HB3 H 1 1.787 0.000 . 2 . . . . 322 K HB3 . 17007 1 975 . 1 1 81 81 LYS HD2 H 1 1.556 0.000 . 2 . . . . 322 K HD2 . 17007 1 976 . 1 1 81 81 LYS HD3 H 1 1.625 0.000 . 2 . . . . 322 K HD3 . 17007 1 977 . 1 1 81 81 LYS HE3 H 1 2.814 0.000 . 2 . . . . 322 K HE3 . 17007 1 978 . 1 1 81 81 LYS HG2 H 1 1.195 0.000 . 2 . . . . 322 K HG2 . 17007 1 979 . 1 1 81 81 LYS HG3 H 1 1.310 0.000 . 2 . . . . 322 K HG3 . 17007 1 980 . 1 1 81 81 LYS C C 13 174.668 0.000 . 1 . . . . 322 K C . 17007 1 981 . 1 1 81 81 LYS CA C 13 54.405 0.004 . 1 . . . . 322 K CA . 17007 1 982 . 1 1 81 81 LYS CB C 13 38.045 0.034 . 1 . . . . 322 K CB . 17007 1 983 . 1 1 81 81 LYS CD C 13 29.382 0.003 . 1 . . . . 322 K CD . 17007 1 984 . 1 1 81 81 LYS CE C 13 41.920 0.004 . 1 . . . . 322 K CE . 17007 1 985 . 1 1 81 81 LYS CG C 13 25.063 0.003 . 1 . . . . 322 K CG . 17007 1 986 . 1 1 81 81 LYS N N 15 118.157 0.000 . 1 . . . . 322 K N . 17007 1 987 . 1 1 82 82 VAL H H 1 8.292 0.000 . 1 . . . . 323 V HN . 17007 1 988 . 1 1 82 82 VAL HA H 1 4.843 0.002 . 1 . . . . 323 V HA . 17007 1 989 . 1 1 82 82 VAL HB H 1 1.837 0.000 . 1 . . . . 323 V HB . 17007 1 990 . 1 1 82 82 VAL HG11 H 1 0.878 0.000 . . . . . . 323 V QG1 . 17007 1 991 . 1 1 82 82 VAL HG12 H 1 0.878 0.000 . . . . . . 323 V QG1 . 17007 1 992 . 1 1 82 82 VAL HG13 H 1 0.878 0.000 . . . . . . 323 V QG1 . 17007 1 993 . 1 1 82 82 VAL HG21 H 1 0.891 0.000 . . . . . . 323 V QG2 . 17007 1 994 . 1 1 82 82 VAL HG22 H 1 0.891 0.000 . . . . . . 323 V QG2 . 17007 1 995 . 1 1 82 82 VAL HG23 H 1 0.891 0.000 . . . . . . 323 V QG2 . 17007 1 996 . 1 1 82 82 VAL C C 13 174.498 0.000 . 1 . . . . 323 V C . 17007 1 997 . 1 1 82 82 VAL CA C 13 61.950 0.024 . 1 . . . . 323 V CA . 17007 1 998 . 1 1 82 82 VAL CB C 13 33.298 0.031 . 1 . . . . 323 V CB . 17007 1 999 . 1 1 82 82 VAL CG1 C 13 21.348 0.000 . 2 . . . . 323 V CG1 . 17007 1 1000 . 1 1 82 82 VAL CG2 C 13 22.218 0.000 . 2 . . . . 323 V CG2 . 17007 1 1001 . 1 1 82 82 VAL N N 15 118.653 0.000 . 1 . . . . 323 V N . 17007 1 1002 . 1 1 83 83 VAL H H 1 9.226 0.000 . 1 . . . . 324 V HN . 17007 1 1003 . 1 1 83 83 VAL HA H 1 4.755 0.001 . 1 . . . . 324 V HA . 17007 1 1004 . 1 1 83 83 VAL HB H 1 1.946 0.000 . 1 . . . . 324 V HB . 17007 1 1005 . 1 1 83 83 VAL HG11 H 1 0.863 0.000 . . . . . . 324 V QG1 . 17007 1 1006 . 1 1 83 83 VAL HG12 H 1 0.863 0.000 . . . . . . 324 V QG1 . 17007 1 1007 . 1 1 83 83 VAL HG13 H 1 0.863 0.000 . . . . . . 324 V QG1 . 17007 1 1008 . 1 1 83 83 VAL HG21 H 1 0.720 0.000 . . . . . . 324 V QG2 . 17007 1 1009 . 1 1 83 83 VAL HG22 H 1 0.720 0.000 . . . . . . 324 V QG2 . 17007 1 1010 . 1 1 83 83 VAL HG23 H 1 0.720 0.000 . . . . . . 324 V QG2 . 17007 1 1011 . 1 1 83 83 VAL C C 13 176.386 0.000 . 1 . . . . 324 V C . 17007 1 1012 . 1 1 83 83 VAL CA C 13 60.374 0.015 . 1 . . . . 324 V CA . 17007 1 1013 . 1 1 83 83 VAL CB C 13 33.831 0.042 . 1 . . . . 324 V CB . 17007 1 1014 . 1 1 83 83 VAL CG1 C 13 20.761 0.000 . 2 . . . . 324 V CG1 . 17007 1 1015 . 1 1 83 83 VAL CG2 C 13 20.805 0.000 . 2 . . . . 324 V CG2 . 17007 1 1016 . 1 1 83 83 VAL N N 15 129.774 0.000 . 1 . . . . 324 V N . 17007 1 1017 . 1 1 84 84 ASN H H 1 8.962 0.000 . 1 . . . . 325 N HN . 17007 1 1018 . 1 1 84 84 ASN HA H 1 5.466 0.003 . 1 . . . . 325 N HA . 17007 1 1019 . 1 1 84 84 ASN HB2 H 1 2.688 0.000 . 2 . . . . 325 N HB2 . 17007 1 1020 . 1 1 84 84 ASN HB3 H 1 3.737 0.000 . 2 . . . . 325 N HB3 . 17007 1 1021 . 1 1 84 84 ASN C C 13 178.343 0.000 . 1 . . . . 325 N C . 17007 1 1022 . 1 1 84 84 ASN CA C 13 52.207 0.020 . 1 . . . . 325 N CA . 17007 1 1023 . 1 1 84 84 ASN CB C 13 38.607 0.049 . 1 . . . . 325 N CB . 17007 1 1024 . 1 1 84 84 ASN N N 15 123.912 0.000 . 1 . . . . 325 N N . 17007 1 1025 . 1 1 85 85 GLN H H 1 9.269 0.000 . 1 . . . . 326 Q HN . 17007 1 1026 . 1 1 85 85 GLN HA H 1 4.254 0.016 . 1 . . . . 326 Q HA . 17007 1 1027 . 1 1 85 85 GLN HB2 H 1 2.233 0.000 . 2 . . . . 326 Q HB2 . 17007 1 1028 . 1 1 85 85 GLN HB3 H 1 2.277 0.000 . 2 . . . . 326 Q HB3 . 17007 1 1029 . 1 1 85 85 GLN HE21 H 1 6.791 0.004 . 2 . . . . 326 Q HE21 . 17007 1 1030 . 1 1 85 85 GLN HE22 H 1 7.649 0.003 . 2 . . . . 326 Q HE22 . 17007 1 1031 . 1 1 85 85 GLN HG2 H 1 2.298 0.000 . 2 . . . . 326 Q HG2 . 17007 1 1032 . 1 1 85 85 GLN HG3 H 1 2.437 0.000 . 2 . . . . 326 Q HG3 . 17007 1 1033 . 1 1 85 85 GLN C C 13 176.387 0.000 . 1 . . . . 326 Q C . 17007 1 1034 . 1 1 85 85 GLN CA C 13 58.270 0.030 . 1 . . . . 326 Q CA . 17007 1 1035 . 1 1 85 85 GLN CB C 13 28.152 0.024 . 1 . . . . 326 Q CB . 17007 1 1036 . 1 1 85 85 GLN CD C 13 180.550 0.026 . 1 . . . . 326 Q CD . 17007 1 1037 . 1 1 85 85 GLN CG C 13 32.904 0.005 . 1 . . . . 326 Q CG . 17007 1 1038 . 1 1 85 85 GLN N N 15 118.583 0.000 . 1 . . . . 326 Q N . 17007 1 1039 . 1 1 85 85 GLN NE2 N 15 111.513 0.002 . 1 . . . . 326 Q NE2 . 17007 1 1040 . 1 1 86 86 ASP H H 1 7.471 0.000 . 1 . . . . 327 D HN . 17007 1 1041 . 1 1 86 86 ASP HA H 1 4.804 0.004 . 1 . . . . 327 D HA . 17007 1 1042 . 1 1 86 86 ASP HB2 H 1 2.510 0.000 . 2 . . . . 327 D HB2 . 17007 1 1043 . 1 1 86 86 ASP HB3 H 1 2.940 0.000 . 2 . . . . 327 D HB3 . 17007 1 1044 . 1 1 86 86 ASP C C 13 176.263 0.000 . 1 . . . . 327 D C . 17007 1 1045 . 1 1 86 86 ASP CA C 13 54.458 0.023 . 1 . . . . 327 D CA . 17007 1 1046 . 1 1 86 86 ASP CB C 13 41.540 0.085 . 1 . . . . 327 D CB . 17007 1 1047 . 1 1 86 86 ASP N N 15 117.792 0.000 . 1 . . . . 327 D N . 17007 1 1048 . 1 1 87 87 GLY H H 1 8.269 0.000 . 1 . . . . 328 G HN . 17007 1 1049 . 1 1 87 87 GLY HA2 H 1 3.546 0.000 . . . . . . 328 G HA1 . 17007 1 1050 . 1 1 87 87 GLY HA3 H 1 4.206 0.000 . 2 . . . . 328 G HA2 . 17007 1 1051 . 1 1 87 87 GLY C C 13 174.488 0.000 . 1 . . . . 328 G C . 17007 1 1052 . 1 1 87 87 GLY CA C 13 45.427 0.024 . 1 . . . . 328 G CA . 17007 1 1053 . 1 1 87 87 GLY N N 15 107.646 0.000 . 1 . . . . 328 G N . 17007 1 1054 . 1 1 88 88 GLU H H 1 7.964 0.000 . 1 . . . . 329 E HN . 17007 1 1055 . 1 1 88 88 GLU HA H 1 4.400 0.013 . 1 . . . . 329 E HA . 17007 1 1056 . 1 1 88 88 GLU HB2 H 1 1.878 0.000 . 2 . . . . 329 E HB2 . 17007 1 1057 . 1 1 88 88 GLU HB3 H 1 1.933 0.000 . 2 . . . . 329 E HB3 . 17007 1 1058 . 1 1 88 88 GLU HG2 H 1 2.044 0.000 . 2 . . . . 329 E HG2 . 17007 1 1059 . 1 1 88 88 GLU HG3 H 1 2.168 0.000 . 2 . . . . 329 E HG3 . 17007 1 1060 . 1 1 88 88 GLU C C 13 176.260 0.000 . 1 . . . . 329 E C . 17007 1 1061 . 1 1 88 88 GLU CA C 13 54.779 0.032 . 1 . . . . 329 E CA . 17007 1 1062 . 1 1 88 88 GLU CB C 13 30.240 0.068 . 1 . . . . 329 E CB . 17007 1 1063 . 1 1 88 88 GLU CG C 13 35.808 0.001 . 1 . . . . 329 E CG . 17007 1 1064 . 1 1 88 88 GLU N N 15 121.792 0.000 . 1 . . . . 329 E N . 17007 1 1065 . 1 1 89 89 THR H H 1 9.079 0.000 . 1 . . . . 330 T HN . 17007 1 1066 . 1 1 89 89 THR HA H 1 4.233 0.001 . 1 . . . . 330 T HA . 17007 1 1067 . 1 1 89 89 THR HB H 1 4.098 0.000 . 1 . . . . 330 T HB . 17007 1 1068 . 1 1 89 89 THR HG21 H 1 1.047 0.000 . . . . . . 330 T QG2 . 17007 1 1069 . 1 1 89 89 THR HG22 H 1 1.047 0.000 . . . . . . 330 T QG2 . 17007 1 1070 . 1 1 89 89 THR HG23 H 1 1.047 0.000 . . . . . . 330 T QG2 . 17007 1 1071 . 1 1 89 89 THR C C 13 174.614 0.000 . 1 . . . . 330 T C . 17007 1 1072 . 1 1 89 89 THR CA C 13 64.407 0.012 . 1 . . . . 330 T CA . 17007 1 1073 . 1 1 89 89 THR CB C 13 68.643 0.045 . 1 . . . . 330 T CB . 17007 1 1074 . 1 1 89 89 THR CG2 C 13 22.563 0.000 . 1 . . . . 330 T CG2 . 17007 1 1075 . 1 1 89 89 THR N N 15 123.410 0.000 . 1 . . . . 330 T N . 17007 1 1076 . 1 1 90 90 ILE H H 1 8.938 0.000 . 1 . . . . 331 I HN . 17007 1 1077 . 1 1 90 90 ILE HA H 1 4.571 0.006 . 1 . . . . 331 I HA . 17007 1 1078 . 1 1 90 90 ILE HB H 1 1.940 0.000 . 1 . . . . 331 I HB . 17007 1 1079 . 1 1 90 90 ILE HD11 H 1 0.949 0.000 . . . . . . 331 I QD1 . 17007 1 1080 . 1 1 90 90 ILE HD12 H 1 0.949 0.000 . . . . . . 331 I QD1 . 17007 1 1081 . 1 1 90 90 ILE HD13 H 1 0.949 0.000 . . . . . . 331 I QD1 . 17007 1 1082 . 1 1 90 90 ILE HG12 H 1 1.045 0.000 . 2 . . . . 331 I HG12 . 17007 1 1083 . 1 1 90 90 ILE HG13 H 1 1.354 0.000 . 2 . . . . 331 I HG13 . 17007 1 1084 . 1 1 90 90 ILE HG21 H 1 0.979 0.000 . . . . . . 331 I QG2 . 17007 1 1085 . 1 1 90 90 ILE HG22 H 1 0.979 0.000 . . . . . . 331 I QG2 . 17007 1 1086 . 1 1 90 90 ILE HG23 H 1 0.979 0.000 . . . . . . 331 I QG2 . 17007 1 1087 . 1 1 90 90 ILE C C 13 175.898 0.000 . 1 . . . . 331 I C . 17007 1 1088 . 1 1 90 90 ILE CA C 13 61.760 0.034 . 1 . . . . 331 I CA . 17007 1 1089 . 1 1 90 90 ILE CB C 13 39.596 0.068 . 1 . . . . 331 I CB . 17007 1 1090 . 1 1 90 90 ILE CD1 C 13 14.071 0.000 . 1 . . . . 331 I CD1 . 17007 1 1091 . 1 1 90 90 ILE CG1 C 13 26.590 0.003 . 1 . . . . 331 I CG1 . 17007 1 1092 . 1 1 90 90 ILE CG2 C 13 18.242 0.000 . 1 . . . . 331 I CG2 . 17007 1 1093 . 1 1 90 90 ILE N N 15 121.807 0.000 . 1 . . . . 331 I N . 17007 1 1094 . 1 1 91 91 LEU H H 1 7.513 0.000 . 1 . . . . 332 L HN . 17007 1 1095 . 1 1 91 91 LEU HA H 1 4.808 0.005 . 1 . . . . 332 L HA . 17007 1 1096 . 1 1 91 91 LEU HB2 H 1 1.250 0.000 . 2 . . . . 332 L HB2 . 17007 1 1097 . 1 1 91 91 LEU HB3 H 1 1.457 0.000 . 2 . . . . 332 L HB3 . 17007 1 1098 . 1 1 91 91 LEU HD11 H 1 0.855 0.000 . . . . . . 332 L QD1 . 17007 1 1099 . 1 1 91 91 LEU HD12 H 1 0.855 0.000 . . . . . . 332 L QD1 . 17007 1 1100 . 1 1 91 91 LEU HD13 H 1 0.855 0.000 . . . . . . 332 L QD1 . 17007 1 1101 . 1 1 91 91 LEU HD21 H 1 0.812 0.000 . . . . . . 332 L QD2 . 17007 1 1102 . 1 1 91 91 LEU HD22 H 1 0.812 0.000 . . . . . . 332 L QD2 . 17007 1 1103 . 1 1 91 91 LEU HD23 H 1 0.812 0.000 . . . . . . 332 L QD2 . 17007 1 1104 . 1 1 91 91 LEU HG H 1 1.591 0.000 . 1 . . . . 332 L HG . 17007 1 1105 . 1 1 91 91 LEU C C 13 174.483 0.000 . 1 . . . . 332 L C . 17007 1 1106 . 1 1 91 91 LEU CA C 13 54.184 0.008 . 1 . . . . 332 L CA . 17007 1 1107 . 1 1 91 91 LEU CB C 13 49.046 0.133 . 1 . . . . 332 L CB . 17007 1 1108 . 1 1 91 91 LEU CD1 C 13 23.844 0.000 . 2 . . . . 332 L CD1 . 17007 1 1109 . 1 1 91 91 LEU CD2 C 13 27.204 0.000 . 2 . . . . 332 L CD2 . 17007 1 1110 . 1 1 91 91 LEU CG C 13 27.362 0.000 . 1 . . . . 332 L CG . 17007 1 1111 . 1 1 91 91 LEU N N 15 120.612 0.000 . 1 . . . . 332 L N . 17007 1 1112 . 1 1 92 92 VAL H H 1 9.508 0.000 . 1 . . . . 333 V HN . 17007 1 1113 . 1 1 92 92 VAL HA H 1 5.492 0.009 . 1 . . . . 333 V HA . 17007 1 1114 . 1 1 92 92 VAL HB H 1 1.979 0.000 . 1 . . . . 333 V HB . 17007 1 1115 . 1 1 92 92 VAL HG11 H 1 0.914 0.000 . . . . . . 333 V QG1 . 17007 1 1116 . 1 1 92 92 VAL HG12 H 1 0.914 0.000 . . . . . . 333 V QG1 . 17007 1 1117 . 1 1 92 92 VAL HG13 H 1 0.914 0.000 . . . . . . 333 V QG1 . 17007 1 1118 . 1 1 92 92 VAL HG21 H 1 1.036 0.000 . . . . . . 333 V QG2 . 17007 1 1119 . 1 1 92 92 VAL HG22 H 1 1.036 0.000 . . . . . . 333 V QG2 . 17007 1 1120 . 1 1 92 92 VAL HG23 H 1 1.036 0.000 . . . . . . 333 V QG2 . 17007 1 1121 . 1 1 92 92 VAL C C 13 173.600 0.000 . 1 . . . . 333 V C . 17007 1 1122 . 1 1 92 92 VAL CA C 13 60.098 0.024 . 1 . . . . 333 V CA . 17007 1 1123 . 1 1 92 92 VAL CB C 13 35.494 0.040 . 1 . . . . 333 V CB . 17007 1 1124 . 1 1 92 92 VAL CG1 C 13 18.891 0.000 . 2 . . . . 333 V CG1 . 17007 1 1125 . 1 1 92 92 VAL CG2 C 13 21.564 0.000 . 2 . . . . 333 V CG2 . 17007 1 1126 . 1 1 92 92 VAL N N 15 119.624 0.000 . 1 . . . . 333 V N . 17007 1 1127 . 1 1 93 93 GLY H H 1 9.042 0.000 . 1 . . . . 334 G HN . 17007 1 1128 . 1 1 93 93 GLY HA2 H 1 4.346 0.000 . . . . . . 334 G HA1 . 17007 1 1129 . 1 1 93 93 GLY HA3 H 1 4.487 0.000 . 2 . . . . 334 G HA2 . 17007 1 1130 . 1 1 93 93 GLY C C 13 170.379 0.000 . 1 . . . . 334 G C . 17007 1 1131 . 1 1 93 93 GLY CA C 13 45.579 0.023 . 1 . . . . 334 G CA . 17007 1 1132 . 1 1 93 93 GLY N N 15 116.438 0.000 . 1 . . . . 334 G N . 17007 1 1133 . 1 1 94 94 LYS H H 1 8.868 0.000 . 1 . . . . 335 K HN . 17007 1 1134 . 1 1 94 94 LYS HA H 1 5.195 0.017 . 1 . . . . 335 K HA . 17007 1 1135 . 1 1 94 94 LYS HB2 H 1 1.707 0.000 . 2 . . . . 335 K HB2 . 17007 1 1136 . 1 1 94 94 LYS HB3 H 1 1.787 0.000 . 2 . . . . 335 K HB3 . 17007 1 1137 . 1 1 94 94 LYS HD2 H 1 1.640 0.000 . 2 . . . . 335 K HD2 . 17007 1 1138 . 1 1 94 94 LYS HD3 H 1 1.676 0.000 . 2 . . . . 335 K HD3 . 17007 1 1139 . 1 1 94 94 LYS HE2 H 1 2.931 0.000 . 2 . . . . 335 K HE2 . 17007 1 1140 . 1 1 94 94 LYS HE3 H 1 2.968 0.000 . 2 . . . . 335 K HE3 . 17007 1 1141 . 1 1 94 94 LYS HG2 H 1 1.363 0.000 . 2 . . . . 335 K HG2 . 17007 1 1142 . 1 1 94 94 LYS HG3 H 1 1.417 0.000 . 2 . . . . 335 K HG3 . 17007 1 1143 . 1 1 94 94 LYS C C 13 175.309 0.000 . 1 . . . . 335 K C . 17007 1 1144 . 1 1 94 94 LYS CA C 13 55.133 0.025 . 1 . . . . 335 K CA . 17007 1 1145 . 1 1 94 94 LYS CB C 13 35.623 0.016 . 1 . . . . 335 K CB . 17007 1 1146 . 1 1 94 94 LYS CD C 13 29.380 0.000 . 1 . . . . 335 K CD . 17007 1 1147 . 1 1 94 94 LYS CE C 13 41.984 0.000 . 1 . . . . 335 K CE . 17007 1 1148 . 1 1 94 94 LYS CG C 13 24.653 0.004 . 1 . . . . 335 K CG . 17007 1 1149 . 1 1 94 94 LYS N N 15 120.208 0.000 . 1 . . . . 335 K N . 17007 1 1150 . 1 1 95 95 CYS H H 1 8.954 0.000 . 1 . . . . 336 C HN . 17007 1 1151 . 1 1 95 95 CYS HA H 1 4.449 0.012 . 1 . . . . 336 C HA . 17007 1 1152 . 1 1 95 95 CYS HB2 H 1 2.689 0.000 . 2 . . . . 336 C HB2 . 17007 1 1153 . 1 1 95 95 CYS HB3 H 1 3.427 0.000 . 2 . . . . 336 C HB3 . 17007 1 1154 . 1 1 95 95 CYS C C 13 174.465 0.000 . 1 . . . . 336 C C . 17007 1 1155 . 1 1 95 95 CYS CA C 13 59.146 0.021 . 1 . . . . 336 C CA . 17007 1 1156 . 1 1 95 95 CYS CB C 13 29.131 0.061 . 1 . . . . 336 C CB . 17007 1 1157 . 1 1 95 95 CYS N N 15 126.110 0.000 . 1 . . . . 336 C N . 17007 1 1158 . 1 1 96 96 ALA H H 1 9.113 0.000 . 1 . . . . 337 A HN . 17007 1 1159 . 1 1 96 96 ALA HA H 1 4.950 0.006 . 1 . . . . 337 A HA . 17007 1 1160 . 1 1 96 96 ALA HB1 H 1 1.507 0.000 . . . . . . 337 A QB . 17007 1 1161 . 1 1 96 96 ALA HB2 H 1 1.507 0.000 . . . . . . 337 A QB . 17007 1 1162 . 1 1 96 96 ALA HB3 H 1 1.507 0.000 . . . . . . 337 A QB . 17007 1 1163 . 1 1 96 96 ALA C C 13 175.867 0.000 . 1 . . . . 337 A C . 17007 1 1164 . 1 1 96 96 ALA CA C 13 51.636 0.018 . 1 . . . . 337 A CA . 17007 1 1165 . 1 1 96 96 ALA CB C 13 18.192 0.050 . 1 . . . . 337 A CB . 17007 1 1166 . 1 1 96 96 ALA N N 15 136.057 0.000 . 1 . . . . 337 A N . 17007 1 1167 . 1 1 97 97 ASP H H 1 8.115 0.000 . 1 . . . . 338 D HN . 17007 1 1168 . 1 1 97 97 ASP HA H 1 4.591 0.011 . 1 . . . . 338 D HA . 17007 1 1169 . 1 1 97 97 ASP HB2 H 1 2.696 0.000 . 2 . . . . 338 D HB2 . 17007 1 1170 . 1 1 97 97 ASP HB3 H 1 2.781 0.000 . 2 . . . . 338 D HB3 . 17007 1 1171 . 1 1 97 97 ASP C C 13 174.628 0.000 . 1 . . . . 338 D C . 17007 1 1172 . 1 1 97 97 ASP CA C 13 53.938 0.026 . 1 . . . . 338 D CA . 17007 1 1173 . 1 1 97 97 ASP CB C 13 40.188 0.061 . 1 . . . . 338 D CB . 17007 1 1174 . 1 1 97 97 ASP N N 15 118.402 0.000 . 1 . . . . 338 D N . 17007 1 1175 . 1 1 98 98 SER H H 1 7.351 0.000 . 1 . . . . 339 S HN . 17007 1 1176 . 1 1 98 98 SER HA H 1 4.743 0.002 . 1 . . . . 339 S HA . 17007 1 1177 . 1 1 98 98 SER HB2 H 1 3.783 0.000 . 2 . . . . 339 S HB2 . 17007 1 1178 . 1 1 98 98 SER HB3 H 1 4.054 0.000 . 2 . . . . 339 S HB3 . 17007 1 1179 . 1 1 98 98 SER C C 13 172.836 0.000 . 1 . . . . 339 S C . 17007 1 1180 . 1 1 98 98 SER CA C 13 56.388 0.025 . 1 . . . . 339 S CA . 17007 1 1181 . 1 1 98 98 SER CB C 13 65.287 0.077 . 1 . . . . 339 S CB . 17007 1 1182 . 1 1 98 98 SER N N 15 111.433 0.000 . 1 . . . . 339 S N . 17007 1 1183 . 1 1 99 99 ASN H H 1 8.572 0.000 . 1 . . . . 340 N HN . 17007 1 1184 . 1 1 99 99 ASN HA H 1 4.796 0.001 . 1 . . . . 340 N HA . 17007 1 1185 . 1 1 99 99 ASN HB2 H 1 2.724 0.000 . 2 . . . . 340 N HB2 . 17007 1 1186 . 1 1 99 99 ASN HB3 H 1 3.744 0.000 . 2 . . . . 340 N HB3 . 17007 1 1187 . 1 1 99 99 ASN HD21 H 1 6.547 0.000 . 2 . . . . 340 N HD21 . 17007 1 1188 . 1 1 99 99 ASN HD22 H 1 7.311 0.003 . 2 . . . . 340 N HD22 . 17007 1 1189 . 1 1 99 99 ASN C C 13 173.134 0.000 . 1 . . . . 340 N C . 17007 1 1190 . 1 1 99 99 ASN CA C 13 53.251 0.029 . 1 . . . . 340 N CA . 17007 1 1191 . 1 1 99 99 ASN CB C 13 38.296 0.062 . 1 . . . . 340 N CB . 17007 1 1192 . 1 1 99 99 ASN CG C 13 177.063 0.026 . 1 . . . . 340 N CG . 17007 1 1193 . 1 1 99 99 ASN N N 15 119.202 0.000 . 1 . . . . 340 N N . 17007 1 1194 . 1 1 99 99 ASN ND2 N 15 110.578 0.003 . 1 . . . . 340 N ND2 . 17007 1 1195 . 1 1 100 100 GLU H H 1 7.970 0.000 . 1 . . . . 341 E HN . 17007 1 1196 . 1 1 100 100 GLU HA H 1 5.280 0.012 . 1 . . . . 341 E HA . 17007 1 1197 . 1 1 100 100 GLU HB2 H 1 1.949 0.000 . 2 . . . . 341 E HB2 . 17007 1 1198 . 1 1 100 100 GLU HB3 H 1 1.970 0.000 . 2 . . . . 341 E HB3 . 17007 1 1199 . 1 1 100 100 GLU HG2 H 1 2.185 0.000 . 2 . . . . 341 E HG2 . 17007 1 1200 . 1 1 100 100 GLU HG3 H 1 2.242 0.000 . 2 . . . . 341 E HG3 . 17007 1 1201 . 1 1 100 100 GLU C C 13 175.200 0.000 . 1 . . . . 341 E C . 17007 1 1202 . 1 1 100 100 GLU CA C 13 55.417 0.023 . 1 . . . . 341 E CA . 17007 1 1203 . 1 1 100 100 GLU CB C 13 31.869 0.020 . 1 . . . . 341 E CB . 17007 1 1204 . 1 1 100 100 GLU CG C 13 36.511 0.000 . 1 . . . . 341 E CG . 17007 1 1205 . 1 1 100 100 GLU N N 15 118.223 0.000 . 1 . . . . 341 E N . 17007 1 1206 . 1 1 101 101 ILE H H 1 9.263 0.000 . 1 . . . . 342 I HN . 17007 1 1207 . 1 1 101 101 ILE HA H 1 4.522 0.008 . 1 . . . . 342 I HA . 17007 1 1208 . 1 1 101 101 ILE HB H 1 1.524 0.000 . 1 . . . . 342 I HB . 17007 1 1209 . 1 1 101 101 ILE HD11 H 1 0.845 0.000 . . . . . . 342 I QD1 . 17007 1 1210 . 1 1 101 101 ILE HD12 H 1 0.845 0.000 . . . . . . 342 I QD1 . 17007 1 1211 . 1 1 101 101 ILE HD13 H 1 0.845 0.000 . . . . . . 342 I QD1 . 17007 1 1212 . 1 1 101 101 ILE HG12 H 1 1.120 0.000 . 2 . . . . 342 I HG12 . 17007 1 1213 . 1 1 101 101 ILE HG13 H 1 1.528 0.000 . 2 . . . . 342 I HG13 . 17007 1 1214 . 1 1 101 101 ILE HG21 H 1 0.844 0.000 . . . . . . 342 I QG2 . 17007 1 1215 . 1 1 101 101 ILE HG22 H 1 0.844 0.000 . . . . . . 342 I QG2 . 17007 1 1216 . 1 1 101 101 ILE HG23 H 1 0.844 0.000 . . . . . . 342 I QG2 . 17007 1 1217 . 1 1 101 101 ILE C C 13 174.507 0.000 . 1 . . . . 342 I C . 17007 1 1218 . 1 1 101 101 ILE CA C 13 60.858 0.029 . 1 . . . . 342 I CA . 17007 1 1219 . 1 1 101 101 ILE CB C 13 42.511 0.023 . 1 . . . . 342 I CB . 17007 1 1220 . 1 1 101 101 ILE CD1 C 13 16.668 0.000 . 1 . . . . 342 I CD1 . 17007 1 1221 . 1 1 101 101 ILE CG1 C 13 30.091 0.006 . 1 . . . . 342 I CG1 . 17007 1 1222 . 1 1 101 101 ILE CG2 C 13 20.376 0.000 . 1 . . . . 342 I CG2 . 17007 1 1223 . 1 1 101 101 ILE N N 15 124.725 0.000 . 1 . . . . 342 I N . 17007 1 1224 . 1 1 102 102 THR H H 1 8.483 0.000 . 1 . . . . 343 T HN . 17007 1 1225 . 1 1 102 102 THR HA H 1 5.065 0.015 . 1 . . . . 343 T HA . 17007 1 1226 . 1 1 102 102 THR HB H 1 3.997 0.000 . 1 . . . . 343 T HB . 17007 1 1227 . 1 1 102 102 THR HG21 H 1 1.074 0.000 . . . . . . 343 T QG2 . 17007 1 1228 . 1 1 102 102 THR HG22 H 1 1.074 0.000 . . . . . . 343 T QG2 . 17007 1 1229 . 1 1 102 102 THR HG23 H 1 1.074 0.000 . . . . . . 343 T QG2 . 17007 1 1230 . 1 1 102 102 THR C C 13 173.620 0.000 . 1 . . . . 343 T C . 17007 1 1231 . 1 1 102 102 THR CA C 13 60.324 0.021 . 1 . . . . 343 T CA . 17007 1 1232 . 1 1 102 102 THR CB C 13 70.638 0.021 . 1 . . . . 343 T CB . 17007 1 1233 . 1 1 102 102 THR CG2 C 13 22.707 0.000 . 1 . . . . 343 T CG2 . 17007 1 1234 . 1 1 102 102 THR N N 15 118.022 0.000 . 1 . . . . 343 T N . 17007 1 1235 . 1 1 103 103 LEU H H 1 9.344 0.000 . 1 . . . . 344 L HN . 17007 1 1236 . 1 1 103 103 LEU HA H 1 4.779 0.005 . 1 . . . . 344 L HA . 17007 1 1237 . 1 1 103 103 LEU HB2 H 1 1.468 0.000 . 2 . . . . 344 L HB2 . 17007 1 1238 . 1 1 103 103 LEU HB3 H 1 1.596 0.000 . 2 . . . . 344 L HB3 . 17007 1 1239 . 1 1 103 103 LEU HD11 H 1 0.706 0.000 . . . . . . 344 L QD1 . 17007 1 1240 . 1 1 103 103 LEU HD12 H 1 0.706 0.000 . . . . . . 344 L QD1 . 17007 1 1241 . 1 1 103 103 LEU HD13 H 1 0.706 0.000 . . . . . . 344 L QD1 . 17007 1 1242 . 1 1 103 103 LEU HD21 H 1 0.575 0.000 . . . . . . 344 L QD2 . 17007 1 1243 . 1 1 103 103 LEU HD22 H 1 0.575 0.000 . . . . . . 344 L QD2 . 17007 1 1244 . 1 1 103 103 LEU HD23 H 1 0.575 0.000 . . . . . . 344 L QD2 . 17007 1 1245 . 1 1 103 103 LEU HG H 1 1.522 0.000 . 1 . . . . 344 L HG . 17007 1 1246 . 1 1 103 103 LEU C C 13 174.784 0.000 . 1 . . . . 344 L C . 17007 1 1247 . 1 1 103 103 LEU CA C 13 54.401 0.021 . 1 . . . . 344 L CA . 17007 1 1248 . 1 1 103 103 LEU CB C 13 44.508 0.027 . 1 . . . . 344 L CB . 17007 1 1249 . 1 1 103 103 LEU CD1 C 13 25.309 0.000 . 2 . . . . 344 L CD1 . 17007 1 1250 . 1 1 103 103 LEU CD2 C 13 25.774 0.000 . 2 . . . . 344 L CD2 . 17007 1 1251 . 1 1 103 103 LEU CG C 13 29.601 0.000 . 1 . . . . 344 L CG . 17007 1 1252 . 1 1 103 103 LEU N N 15 125.104 0.000 . 1 . . . . 344 L N . 17007 1 1253 . 1 1 104 104 LYS H H 1 8.397 0.000 . 1 . . . . 345 K HN . 17007 1 1254 . 1 1 104 104 LYS HA H 1 4.907 0.005 . 1 . . . . 345 K HA . 17007 1 1255 . 1 1 104 104 LYS HB2 H 1 1.839 0.000 . 2 . . . . 345 K HB2 . 17007 1 1256 . 1 1 104 104 LYS HB3 H 1 2.003 0.000 . 2 . . . . 345 K HB3 . 17007 1 1257 . 1 1 104 104 LYS HD2 H 1 1.696 0.000 . 2 . . . . 345 K HD2 . 17007 1 1258 . 1 1 104 104 LYS HD3 H 1 1.728 0.000 . 2 . . . . 345 K HD3 . 17007 1 1259 . 1 1 104 104 LYS HE2 H 1 2.967 0.000 . 2 . . . . 345 K HE2 . 17007 1 1260 . 1 1 104 104 LYS HE3 H 1 2.989 0.000 . 2 . . . . 345 K HE3 . 17007 1 1261 . 1 1 104 104 LYS HG2 H 1 1.388 0.000 . 2 . . . . 345 K HG2 . 17007 1 1262 . 1 1 104 104 LYS HG3 H 1 1.595 0.000 . 2 . . . . 345 K HG3 . 17007 1 1263 . 1 1 104 104 LYS C C 13 176.170 0.000 . 1 . . . . 345 K C . 17007 1 1264 . 1 1 104 104 LYS CA C 13 54.444 0.013 . 1 . . . . 345 K CA . 17007 1 1265 . 1 1 104 104 LYS CB C 13 37.491 0.030 . 1 . . . . 345 K CB . 17007 1 1266 . 1 1 104 104 LYS CD C 13 29.630 0.000 . 1 . . . . 345 K CD . 17007 1 1267 . 1 1 104 104 LYS CE C 13 42.095 0.000 . 1 . . . . 345 K CE . 17007 1 1268 . 1 1 104 104 LYS CG C 13 24.728 0.005 . 1 . . . . 345 K CG . 17007 1 1269 . 1 1 104 104 LYS N N 15 117.693 0.000 . 1 . . . . 345 K N . 17007 1 1270 . 1 1 105 105 SER H H 1 8.775 0.000 . 1 . . . . 346 S HN . 17007 1 1271 . 1 1 105 105 SER HA H 1 4.944 0.001 . 1 . . . . 346 S HA . 17007 1 1272 . 1 1 105 105 SER HB2 H 1 3.970 0.000 . 2 . . . . 346 S HB2 . 17007 1 1273 . 1 1 105 105 SER HB3 H 1 3.988 0.000 . 2 . . . . 346 S HB3 . 17007 1 1274 . 1 1 105 105 SER CA C 13 57.285 0.021 . 1 . . . . 346 S CA . 17007 1 1275 . 1 1 105 105 SER CB C 13 63.148 0.025 . 1 . . . . 346 S CB . 17007 1 1276 . 1 1 105 105 SER N N 15 117.693 0.000 . 1 . . . . 346 S N . 17007 1 1277 . 1 1 106 106 PRO HA H 1 4.436 0.016 . 1 . . . . 347 P HA . 17007 1 1278 . 1 1 106 106 PRO HB2 H 1 2.057 0.000 . 2 . . . . 347 P HB2 . 17007 1 1279 . 1 1 106 106 PRO HB3 H 1 2.151 0.000 . 2 . . . . 347 P HB3 . 17007 1 1280 . 1 1 106 106 PRO HD2 H 1 3.565 0.000 . 2 . . . . 347 P HD2 . 17007 1 1281 . 1 1 106 106 PRO HD3 H 1 3.761 0.000 . 2 . . . . 347 P HD3 . 17007 1 1282 . 1 1 106 106 PRO HG2 H 1 1.783 0.000 . 2 . . . . 347 P HG2 . 17007 1 1283 . 1 1 106 106 PRO HG3 H 1 2.003 0.000 . 2 . . . . 347 P HG3 . 17007 1 1284 . 1 1 106 106 PRO C C 13 175.507 0.000 . 1 . . . . 347 P C . 17007 1 1285 . 1 1 106 106 PRO CA C 13 63.389 0.026 . 1 . . . . 347 P CA . 17007 1 1286 . 1 1 106 106 PRO CB C 13 31.966 0.038 . 1 . . . . 347 P CB . 17007 1 1287 . 1 1 106 106 PRO CD C 13 50.837 0.001 . 1 . . . . 347 P CD . 17007 1 1288 . 1 1 106 106 PRO CG C 13 27.018 0.000 . 1 . . . . 347 P CG . 17007 1 1289 . 1 1 107 107 LEU H H 1 7.718 0.000 . 1 . . . . 348 L HN . 17007 1 1290 . 1 1 107 107 LEU HA H 1 4.191 0.002 . 1 . . . . 348 L HA . 17007 1 1291 . 1 1 107 107 LEU HB2 H 1 1.575 0.000 . 2 . . . . 348 L HB2 . 17007 1 1292 . 1 1 107 107 LEU HB3 H 1 1.595 0.000 . 2 . . . . 348 L HB3 . 17007 1 1293 . 1 1 107 107 LEU HD11 H 1 0.899 0.000 . . . . . . 348 L QD1 . 17007 1 1294 . 1 1 107 107 LEU HD12 H 1 0.899 0.000 . . . . . . 348 L QD1 . 17007 1 1295 . 1 1 107 107 LEU HD13 H 1 0.899 0.000 . . . . . . 348 L QD1 . 17007 1 1296 . 1 1 107 107 LEU HD21 H 1 0.935 0.000 . . . . . . 348 L QD2 . 17007 1 1297 . 1 1 107 107 LEU HD22 H 1 0.935 0.000 . . . . . . 348 L QD2 . 17007 1 1298 . 1 1 107 107 LEU HD23 H 1 0.935 0.000 . . . . . . 348 L QD2 . 17007 1 1299 . 1 1 107 107 LEU CA C 13 56.819 0.009 . 1 . . . . 348 L CA . 17007 1 1300 . 1 1 107 107 LEU CB C 13 43.554 0.060 . 1 . . . . 348 L CB . 17007 1 1301 . 1 1 107 107 LEU CD1 C 13 23.597 0.000 . 2 . . . . 348 L CD1 . 17007 1 1302 . 1 1 107 107 LEU CD2 C 13 25.209 0.000 . 2 . . . . 348 L CD2 . 17007 1 1303 . 1 1 107 107 LEU N N 15 126.937 0.000 . 1 . . . . 348 L N . 17007 1 stop_ save_