data_17867 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17867 _Entry.Title ; Structural Insight into the Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-18 _Entry.Accession_date 2011-08-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jack Howarth . W. . 17867 2 Paul Rosevear . R. . 17867 3 Srini Ramisetti . . . 17867 4 Kristof Nolan . . . 17867 5 Sakthivel Sadayappan . . . 17867 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17867 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CARDIAC . 17867 PROTEIN . 17867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 17867 '15N chemical shifts' 100 17867 '1H chemical shifts' 210 17867 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-08-18 update BMRB 'update entry citation' 17867 1 . . 2012-01-18 2011-08-18 original author 'original release' 17867 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHU 'BMRB Entry Tracking System' 17867 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17867 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22235120 _Citation.Full_citation . _Citation.Title 'Structural Insight into Unique Cardiac Myosin-binding Protein-C Motif: A PARTIALLY FOLDED DOMAIN.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 11 _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 8254 _Citation.Page_last 8262 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jack Howarth . W. . 17867 1 2 Srinivas Ramisetti . . . 17867 1 3 Kristof Nolan . . . 17867 1 4 Sakthivel Sadayappan . . . 17867 1 5 Paul Rosevear . R. . 17867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17867 _Assembly.ID 1 _Assembly.Name 'Myosin Binding Protein-C Motif' _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 'Myosin Binding Protein-C Motif' 1 $Myosin_binding_C A . yes native no no . . . 17867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Myosin_binding_C _Entity.Sf_category entity _Entity.Sf_framecode Myosin_binding_C _Entity.Entry_ID 17867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Myosin Binding Protein-C Motif' _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 ; MGSSHHHHHHSSGLVPRGSH MHEAIGSGDLDLRSAFRRTS LAGAGRRTSDSHEDAGTLDF SSLLKKRDSFRRDSKLEAPA EEDVWEILRQAPPSEYERIA FQHGVTDLRGMLKRLKGMKQ DEKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-20 represent a histidine tag.' _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4189.856 _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 2LHU . "Structural Insight Into The Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain" . . . . . 100.00 124 100.00 100.00 5.71e-82 . . . . 17867 1 2 no DBJ BAE27506 . "unnamed protein product [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 1 3 no DBJ BAE41061 . "unnamed protein product [Mus musculus]" . . . . . 83.87 1113 97.12 98.08 7.30e-57 . . . . 17867 1 4 no GB AAC64202 . "myosin binding protein-C [Mus musculus]" . . . . . 83.87 1270 99.04 100.00 3.12e-60 . . . . 17867 1 5 no GB AAI54409 . "Mybpc3 protein [Mus musculus]" . . . . . 83.87 1270 99.04 100.00 3.09e-60 . . . . 17867 1 6 no GB EDL27527 . "myosin binding protein C, cardiac, isoform CRA_a [Mus musculus]" . . . . . 83.87 1268 97.12 98.08 5.27e-57 . . . . 17867 1 7 no PRF 2020397A . "C protein" . . . . . 83.87 1270 99.04 100.00 3.00e-60 . . . . 17867 1 8 no REF NP_032679 . "myosin-binding protein C, cardiac-type [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 1 9 no REF XP_006234565 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" . . . . . 83.87 1276 97.12 98.08 1.01e-58 . . . . 17867 1 10 no REF XP_006234566 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" . . . . . 83.87 1276 97.12 98.08 1.01e-58 . . . . 17867 1 11 no REF XP_006498945 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X2 [Mus musculus]" . . . . . 83.87 1277 97.12 98.08 4.37e-57 . . . . 17867 1 12 no REF XP_011237643 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 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 . MET . 17867 1 2 . GLY . 17867 1 3 . SER . 17867 1 4 . SER . 17867 1 5 . HIS . 17867 1 6 . HIS . 17867 1 7 . HIS . 17867 1 8 . HIS . 17867 1 9 . HIS . 17867 1 10 . HIS . 17867 1 11 . SER . 17867 1 12 . SER . 17867 1 13 . GLY . 17867 1 14 . LEU . 17867 1 15 . VAL . 17867 1 16 . PRO . 17867 1 17 . ARG . 17867 1 18 . GLY . 17867 1 19 . SER . 17867 1 20 . HIS . 17867 1 21 . MET . 17867 1 22 255 HIS . 17867 1 23 256 GLU . 17867 1 24 257 ALA . 17867 1 25 258 ILE . 17867 1 26 259 GLY . 17867 1 27 260 SER . 17867 1 28 261 GLY . 17867 1 29 262 ASP . 17867 1 30 263 LEU . 17867 1 31 264 ASP . 17867 1 32 265 LEU . 17867 1 33 266 ARG . 17867 1 34 267 SER . 17867 1 35 268 ALA . 17867 1 36 269 PHE . 17867 1 37 270 ARG . 17867 1 38 271 ARG . 17867 1 39 272 THR . 17867 1 40 273 SER . 17867 1 41 274 LEU . 17867 1 42 275 ALA . 17867 1 43 276 GLY . 17867 1 44 277 ALA . 17867 1 45 278 GLY . 17867 1 46 279 ARG . 17867 1 47 280 ARG . 17867 1 48 281 THR . 17867 1 49 282 SER . 17867 1 50 283 ASP . 17867 1 51 284 SER . 17867 1 52 285 HIS . 17867 1 53 286 GLU . 17867 1 54 287 ASP . 17867 1 55 288 ALA . 17867 1 56 289 GLY . 17867 1 57 290 THR . 17867 1 58 291 LEU . 17867 1 59 292 ASP . 17867 1 60 293 PHE . 17867 1 61 294 SER . 17867 1 62 295 SER . 17867 1 63 296 LEU . 17867 1 64 297 LEU . 17867 1 65 298 LYS . 17867 1 66 299 LYS . 17867 1 67 300 ARG . 17867 1 68 301 ASP . 17867 1 69 302 SER . 17867 1 70 303 PHE . 17867 1 71 304 ARG . 17867 1 72 305 ARG . 17867 1 73 306 ASP . 17867 1 74 307 SER . 17867 1 75 308 LYS . 17867 1 76 309 LEU . 17867 1 77 310 GLU . 17867 1 78 311 ALA . 17867 1 79 312 PRO . 17867 1 80 313 ALA . 17867 1 81 314 GLU . 17867 1 82 315 GLU . 17867 1 83 316 ASP . 17867 1 84 317 VAL . 17867 1 85 318 TRP . 17867 1 86 319 GLU . 17867 1 87 320 ILE . 17867 1 88 321 LEU . 17867 1 89 322 ARG . 17867 1 90 323 GLN . 17867 1 91 324 ALA . 17867 1 92 325 PRO . 17867 1 93 326 PRO . 17867 1 94 327 SER . 17867 1 95 328 GLU . 17867 1 96 329 TYR . 17867 1 97 330 GLU . 17867 1 98 331 ARG . 17867 1 99 332 ILE . 17867 1 100 333 ALA . 17867 1 101 334 PHE . 17867 1 102 335 GLN . 17867 1 103 336 HIS . 17867 1 104 337 GLY . 17867 1 105 338 VAL . 17867 1 106 339 THR . 17867 1 107 340 ASP . 17867 1 108 341 LEU . 17867 1 109 342 ARG . 17867 1 110 343 GLY . 17867 1 111 344 MET . 17867 1 112 345 LEU . 17867 1 113 346 LYS . 17867 1 114 347 ARG . 17867 1 115 348 LEU . 17867 1 116 349 LYS . 17867 1 117 350 GLY . 17867 1 118 351 MET . 17867 1 119 352 LYS . 17867 1 120 353 GLN . 17867 1 121 354 ASP . 17867 1 122 355 GLU . 17867 1 123 356 LYS . 17867 1 124 357 LYS . 17867 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17867 1 . GLY 2 2 17867 1 . SER 3 3 17867 1 . SER 4 4 17867 1 . HIS 5 5 17867 1 . HIS 6 6 17867 1 . HIS 7 7 17867 1 . HIS 8 8 17867 1 . HIS 9 9 17867 1 . HIS 10 10 17867 1 . SER 11 11 17867 1 . SER 12 12 17867 1 . GLY 13 13 17867 1 . LEU 14 14 17867 1 . VAL 15 15 17867 1 . PRO 16 16 17867 1 . ARG 17 17 17867 1 . GLY 18 18 17867 1 . SER 19 19 17867 1 . HIS 20 20 17867 1 . MET 21 21 17867 1 . HIS 22 22 17867 1 . GLU 23 23 17867 1 . ALA 24 24 17867 1 . ILE 25 25 17867 1 . GLY 26 26 17867 1 . SER 27 27 17867 1 . GLY 28 28 17867 1 . ASP 29 29 17867 1 . LEU 30 30 17867 1 . ASP 31 31 17867 1 . LEU 32 32 17867 1 . ARG 33 33 17867 1 . SER 34 34 17867 1 . ALA 35 35 17867 1 . PHE 36 36 17867 1 . ARG 37 37 17867 1 . ARG 38 38 17867 1 . THR 39 39 17867 1 . SER 40 40 17867 1 . LEU 41 41 17867 1 . ALA 42 42 17867 1 . GLY 43 43 17867 1 . ALA 44 44 17867 1 . GLY 45 45 17867 1 . ARG 46 46 17867 1 . ARG 47 47 17867 1 . THR 48 48 17867 1 . SER 49 49 17867 1 . ASP 50 50 17867 1 . SER 51 51 17867 1 . HIS 52 52 17867 1 . GLU 53 53 17867 1 . ASP 54 54 17867 1 . ALA 55 55 17867 1 . GLY 56 56 17867 1 . THR 57 57 17867 1 . LEU 58 58 17867 1 . ASP 59 59 17867 1 . PHE 60 60 17867 1 . SER 61 61 17867 1 . SER 62 62 17867 1 . LEU 63 63 17867 1 . LEU 64 64 17867 1 . LYS 65 65 17867 1 . LYS 66 66 17867 1 . ARG 67 67 17867 1 . ASP 68 68 17867 1 . SER 69 69 17867 1 . PHE 70 70 17867 1 . ARG 71 71 17867 1 . ARG 72 72 17867 1 . ASP 73 73 17867 1 . SER 74 74 17867 1 . LYS 75 75 17867 1 . LEU 76 76 17867 1 . GLU 77 77 17867 1 . ALA 78 78 17867 1 . PRO 79 79 17867 1 . ALA 80 80 17867 1 . GLU 81 81 17867 1 . GLU 82 82 17867 1 . ASP 83 83 17867 1 . VAL 84 84 17867 1 . TRP 85 85 17867 1 . GLU 86 86 17867 1 . ILE 87 87 17867 1 . LEU 88 88 17867 1 . ARG 89 89 17867 1 . GLN 90 90 17867 1 . ALA 91 91 17867 1 . PRO 92 92 17867 1 . PRO 93 93 17867 1 . SER 94 94 17867 1 . GLU 95 95 17867 1 . TYR 96 96 17867 1 . GLU 97 97 17867 1 . ARG 98 98 17867 1 . ILE 99 99 17867 1 . ALA 100 100 17867 1 . PHE 101 101 17867 1 . GLN 102 102 17867 1 . HIS 103 103 17867 1 . GLY 104 104 17867 1 . VAL 105 105 17867 1 . THR 106 106 17867 1 . ASP 107 107 17867 1 . LEU 108 108 17867 1 . ARG 109 109 17867 1 . GLY 110 110 17867 1 . MET 111 111 17867 1 . LEU 112 112 17867 1 . LYS 113 113 17867 1 . ARG 114 114 17867 1 . LEU 115 115 17867 1 . LYS 116 116 17867 1 . GLY 117 117 17867 1 . MET 118 118 17867 1 . LYS 119 119 17867 1 . GLN 120 120 17867 1 . ASP 121 121 17867 1 . GLU 122 122 17867 1 . LYS 123 123 17867 1 . LYS 124 124 17867 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 17867 _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 $Myosin_binding_C . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17867 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 17867 _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 $Myosin_binding_C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17867 _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 'myosin binding protein-C (255-357)' '[U-13C; U-15N]' . . 1 $Myosin_binding_C . . 1.0 . . mM . . . . 17867 1 2 TRIS [U-2H] . . . . . . 20.0 . . mM . . . . 17867 1 3 'sodium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 17867 1 4 TCEP 'natural abundance' . . . . . . 2.0 . . mM . . . . 17867 1 5 EDTA 'natural abundance' . . . . . . 1.0 . . mM . . . . 17867 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17867 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17867 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 17867 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17867 1 pH 6.8 . pH 17867 1 pressure 1 . atm 17867 1 temperature 288 . K 17867 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17867 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17867 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17867 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17867 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17867 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17867 2 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 17867 _Software.ID 3 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . 17867 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17867 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17867 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17867 _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 VNMRS . 800 . . . 17867 1 2 spectrometer_2 Varian INOVA . 600 . . . 17867 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 17867 _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 . . . . . . . . . . . . . . . . 17867 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17867 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17867 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 17867 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17867 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17867 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17867 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 17867 _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' . . . 17867 1 2 '3D HNCACB' . . . 17867 1 3 '3D CBCA(CO)NH' . . . 17867 1 4 '3D HNCO' . . . 17867 1 5 '3D HCACO' . . . 17867 1 6 '3D C(CO)NH' . . . 17867 1 7 '3D HBHA(CO)NH' . . . 17867 1 8 '3D 1H-15N NOESY' . . . 17867 1 9 '3D 1H-15N TOCSY' . . . 17867 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 22 22 HIS H H 1 8.330 0.007 . 1 . . . . 255 HIS H . 17867 1 2 . 1 1 22 22 HIS HA H 1 4.570 0.016 . 1 . . . . 255 HIS HA . 17867 1 3 . 1 1 22 22 HIS C C 13 175.200 0.073 . 1 . . . . 255 HIS C . 17867 1 4 . 1 1 22 22 HIS CA C 13 56.380 0.167 . 1 . . . . 255 HIS CA . 17867 1 5 . 1 1 22 22 HIS CB C 13 30.640 0.167 . 1 . . . . 255 HIS CB . 17867 1 6 . 1 1 22 22 HIS N N 15 120.208 0.039 . 1 . . . . 255 HIS N . 17867 1 7 . 1 1 23 23 GLU H H 1 8.303 0.007 . 1 . . . . 256 GLU H . 17867 1 8 . 1 1 23 23 GLU HA H 1 4.230 0.016 . 1 . . . . 256 GLU HA . 17867 1 9 . 1 1 23 23 GLU C C 13 175.900 0.073 . 1 . . . . 256 GLU C . 17867 1 10 . 1 1 23 23 GLU CA C 13 56.420 0.167 . 1 . . . . 256 GLU CA . 17867 1 11 . 1 1 23 23 GLU CB C 13 30.360 0.167 . 1 . . . . 256 GLU CB . 17867 1 12 . 1 1 23 23 GLU N N 15 121.928 0.039 . 1 . . . . 256 GLU N . 17867 1 13 . 1 1 24 24 ALA H H 1 8.400 0.007 . 1 . . . . 257 ALA H . 17867 1 14 . 1 1 24 24 ALA HA H 1 4.330 0.016 . 1 . . . . 257 ALA HA . 17867 1 15 . 1 1 24 24 ALA C C 13 177.600 0.073 . 1 . . . . 257 ALA C . 17867 1 16 . 1 1 24 24 ALA CA C 13 52.330 0.167 . 1 . . . . 257 ALA CA . 17867 1 17 . 1 1 24 24 ALA CB C 13 19.070 0.167 . 1 . . . . 257 ALA CB . 17867 1 18 . 1 1 24 24 ALA N N 15 125.223 0.039 . 1 . . . . 257 ALA N . 17867 1 19 . 1 1 25 25 ILE H H 1 8.196 0.007 . 1 . . . . 258 ILE H . 17867 1 20 . 1 1 25 25 ILE HA H 1 4.140 0.016 . 1 . . . . 258 ILE HA . 17867 1 21 . 1 1 25 25 ILE C C 13 176.900 0.073 . 1 . . . . 258 ILE C . 17867 1 22 . 1 1 25 25 ILE CA C 13 61.350 0.167 . 1 . . . . 258 ILE CA . 17867 1 23 . 1 1 25 25 ILE CB C 13 38.600 0.167 . 1 . . . . 258 ILE CB . 17867 1 24 . 1 1 25 25 ILE N N 15 120.444 0.039 . 1 . . . . 258 ILE N . 17867 1 25 . 1 1 26 26 GLY H H 1 8.582 0.007 . 1 . . . . 259 GLY H . 17867 1 26 . 1 1 26 26 GLY HA2 H 1 3.993 0.016 . . . . . . 259 GLY HA2 . 17867 1 27 . 1 1 26 26 GLY HA3 H 1 3.993 0.016 . . . . . . 259 GLY HA3 . 17867 1 28 . 1 1 26 26 GLY C C 13 174.200 0.073 . 1 . . . . 259 GLY C . 17867 1 29 . 1 1 26 26 GLY CA C 13 45.190 0.167 . 1 . . . . 259 GLY CA . 17867 1 30 . 1 1 26 26 GLY N N 15 113.111 0.039 . 1 . . . . 259 GLY N . 17867 1 31 . 1 1 27 27 SER H H 1 8.339 0.007 . 1 . . . . 260 SER H . 17867 1 32 . 1 1 27 27 SER HA H 1 4.430 0.016 . 1 . . . . 260 SER HA . 17867 1 33 . 1 1 27 27 SER C C 13 175.200 0.073 . 1 . . . . 260 SER C . 17867 1 34 . 1 1 27 27 SER CA C 13 58.600 0.167 . 1 . . . . 260 SER CA . 17867 1 35 . 1 1 27 27 SER CB C 13 63.790 0.167 . 1 . . . . 260 SER CB . 17867 1 36 . 1 1 27 27 SER N N 15 115.659 0.039 . 1 . . . . 260 SER N . 17867 1 37 . 1 1 28 28 GLY H H 1 8.584 0.007 . 1 . . . . 261 GLY H . 17867 1 38 . 1 1 28 28 GLY HA2 H 1 3.973 0.016 . . . . . . 261 GLY HA2 . 17867 1 39 . 1 1 28 28 GLY HA3 H 1 3.973 0.016 . . . . . . 261 GLY HA3 . 17867 1 40 . 1 1 28 28 GLY C C 13 174.000 0.073 . 1 . . . . 261 GLY C . 17867 1 41 . 1 1 28 28 GLY CA C 13 45.380 0.167 . 1 . . . . 261 GLY CA . 17867 1 42 . 1 1 28 28 GLY N N 15 110.945 0.039 . 1 . . . . 261 GLY N . 17867 1 43 . 1 1 29 29 ASP H H 1 8.226 0.007 . 1 . . . . 262 ASP H . 17867 1 44 . 1 1 29 29 ASP HA H 1 4.580 0.016 . 1 . . . . 262 ASP HA . 17867 1 45 . 1 1 29 29 ASP C C 13 176.500 0.073 . 1 . . . . 262 ASP C . 17867 1 46 . 1 1 29 29 ASP CA C 13 54.630 0.167 . 1 . . . . 262 ASP CA . 17867 1 47 . 1 1 29 29 ASP CB C 13 41.070 0.167 . 1 . . . . 262 ASP CB . 17867 1 48 . 1 1 29 29 ASP N N 15 120.407 0.039 . 1 . . . . 262 ASP N . 17867 1 49 . 1 1 30 30 LEU H H 1 8.205 0.007 . 1 . . . . 263 LEU H . 17867 1 50 . 1 1 30 30 LEU HA H 1 4.220 0.016 . 1 . . . . 263 LEU HA . 17867 1 51 . 1 1 30 30 LEU C C 13 177.200 0.073 . 1 . . . . 263 LEU C . 17867 1 52 . 1 1 30 30 LEU CA C 13 55.690 0.167 . 1 . . . . 263 LEU CA . 17867 1 53 . 1 1 30 30 LEU CB C 13 42.170 0.167 . 1 . . . . 263 LEU CB . 17867 1 54 . 1 1 30 30 LEU N N 15 121.880 0.039 . 1 . . . . 263 LEU N . 17867 1 55 . 1 1 31 31 ASP H H 1 8.327 0.007 . 1 . . . . 264 ASP H . 17867 1 56 . 1 1 31 31 ASP HA H 1 4.580 0.016 . 1 . . . . 264 ASP HA . 17867 1 57 . 1 1 31 31 ASP C C 13 176.800 0.073 . 1 . . . . 264 ASP C . 17867 1 58 . 1 1 31 31 ASP CA C 13 54.300 0.167 . 1 . . . . 264 ASP CA . 17867 1 59 . 1 1 31 31 ASP CB C 13 40.880 0.167 . 1 . . . . 264 ASP CB . 17867 1 60 . 1 1 31 31 ASP N N 15 120.806 0.039 . 1 . . . . 264 ASP N . 17867 1 61 . 1 1 32 32 LEU H H 1 8.263 0.007 . 1 . . . . 265 LEU H . 17867 1 62 . 1 1 32 32 LEU HA H 1 4.220 0.016 . 1 . . . . 265 LEU HA . 17867 1 63 . 1 1 32 32 LEU C C 13 178.200 0.073 . 1 . . . . 265 LEU C . 17867 1 64 . 1 1 32 32 LEU CA C 13 56.020 0.167 . 1 . . . . 265 LEU CA . 17867 1 65 . 1 1 32 32 LEU CB C 13 41.780 0.167 . 1 . . . . 265 LEU CB . 17867 1 66 . 1 1 32 32 LEU N N 15 123.224 0.039 . 1 . . . . 265 LEU N . 17867 1 67 . 1 1 33 33 ARG H H 1 8.279 0.007 . 1 . . . . 266 ARG H . 17867 1 68 . 1 1 33 33 ARG HA H 1 4.230 0.016 . 1 . . . . 266 ARG HA . 17867 1 69 . 1 1 33 33 ARG C C 13 177.300 0.073 . 1 . . . . 266 ARG C . 17867 1 70 . 1 1 33 33 ARG CA C 13 57.150 0.167 . 1 . . . . 266 ARG CA . 17867 1 71 . 1 1 33 33 ARG CB C 13 30.140 0.167 . 1 . . . . 266 ARG CB . 17867 1 72 . 1 1 33 33 ARG N N 15 119.270 0.039 . 1 . . . . 266 ARG N . 17867 1 73 . 1 1 34 34 SER H H 1 8.097 0.007 . 1 . . . . 267 SER H . 17867 1 74 . 1 1 34 34 SER HA H 1 4.320 0.016 . 1 . . . . 267 SER HA . 17867 1 75 . 1 1 34 34 SER C C 13 174.900 0.073 . 1 . . . . 267 SER C . 17867 1 76 . 1 1 34 34 SER CA C 13 59.050 0.167 . 1 . . . . 267 SER CA . 17867 1 77 . 1 1 34 34 SER CB C 13 63.410 0.167 . 1 . . . . 267 SER CB . 17867 1 78 . 1 1 34 34 SER N N 15 115.229 0.039 . 1 . . . . 267 SER N . 17867 1 79 . 1 1 35 35 ALA H H 1 8.214 0.007 . 1 . . . . 268 ALA H . 17867 1 80 . 1 1 35 35 ALA HA H 1 4.190 0.016 . 1 . . . . 268 ALA HA . 17867 1 81 . 1 1 35 35 ALA C C 13 177.900 0.073 . 1 . . . . 268 ALA C . 17867 1 82 . 1 1 35 35 ALA CA C 13 53.300 0.167 . 1 . . . . 268 ALA CA . 17867 1 83 . 1 1 35 35 ALA CB C 13 18.740 0.167 . 1 . . . . 268 ALA CB . 17867 1 84 . 1 1 35 35 ALA N N 15 125.076 0.039 . 1 . . . . 268 ALA N . 17867 1 85 . 1 1 36 36 PHE H H 1 8.055 0.007 . 1 . . . . 269 PHE H . 17867 1 86 . 1 1 36 36 PHE HA H 1 4.520 0.016 . 1 . . . . 269 PHE HA . 17867 1 87 . 1 1 36 36 PHE C C 13 175.900 0.073 . 1 . . . . 269 PHE C . 17867 1 88 . 1 1 36 36 PHE CA C 13 58.110 0.167 . 1 . . . . 269 PHE CA . 17867 1 89 . 1 1 36 36 PHE CB C 13 39.200 0.167 . 1 . . . . 269 PHE CB . 17867 1 90 . 1 1 36 36 PHE N N 15 118.000 0.039 . 1 . . . . 269 PHE N . 17867 1 91 . 1 1 37 37 ARG H H 1 8.009 0.007 . 1 . . . . 270 ARG H . 17867 1 92 . 1 1 37 37 ARG HA H 1 4.270 0.016 . 1 . . . . 270 ARG HA . 17867 1 93 . 1 1 37 37 ARG C C 13 176.100 0.073 . 1 . . . . 270 ARG C . 17867 1 94 . 1 1 37 37 ARG CA C 13 56.250 0.167 . 1 . . . . 270 ARG CA . 17867 1 95 . 1 1 37 37 ARG CB C 13 30.680 0.167 . 1 . . . . 270 ARG CB . 17867 1 96 . 1 1 37 37 ARG N N 15 121.802 0.039 . 1 . . . . 270 ARG N . 17867 1 97 . 1 1 38 38 ARG H H 1 8.324 0.007 . 1 . . . . 271 ARG H . 17867 1 98 . 1 1 38 38 ARG HA H 1 4.290 0.016 . 1 . . . . 271 ARG HA . 17867 1 99 . 1 1 38 38 ARG C C 13 176.700 0.073 . 1 . . . . 271 ARG C . 17867 1 100 . 1 1 38 38 ARG CA C 13 56.620 0.167 . 1 . . . . 271 ARG CA . 17867 1 101 . 1 1 38 38 ARG CB C 13 30.680 0.167 . 1 . . . . 271 ARG CB . 17867 1 102 . 1 1 38 38 ARG N N 15 121.751 0.039 . 1 . . . . 271 ARG N . 17867 1 103 . 1 1 39 39 THR H H 1 8.188 0.007 . 1 . . . . 272 THR H . 17867 1 104 . 1 1 39 39 THR HA H 1 4.330 0.016 . 1 . . . . 272 THR HA . 17867 1 105 . 1 1 39 39 THR C C 13 174.600 0.073 . 1 . . . . 272 THR C . 17867 1 106 . 1 1 39 39 THR CA C 13 62.140 0.167 . 1 . . . . 272 THR CA . 17867 1 107 . 1 1 39 39 THR CB C 13 69.710 0.167 . 1 . . . . 272 THR CB . 17867 1 108 . 1 1 39 39 THR N N 15 114.707 0.039 . 1 . . . . 272 THR N . 17867 1 109 . 1 1 40 40 SER H H 1 8.318 0.007 . 1 . . . . 273 SER H . 17867 1 110 . 1 1 40 40 SER HA H 1 4.430 0.016 . 1 . . . . 273 SER HA . 17867 1 111 . 1 1 40 40 SER C C 13 174.600 0.073 . 1 . . . . 273 SER C . 17867 1 112 . 1 1 40 40 SER CA C 13 58.400 0.167 . 1 . . . . 273 SER CA . 17867 1 113 . 1 1 40 40 SER CB C 13 63.700 0.167 . 1 . . . . 273 SER CB . 17867 1 114 . 1 1 40 40 SER N N 15 117.928 0.039 . 1 . . . . 273 SER N . 17867 1 115 . 1 1 41 41 LEU H H 1 8.305 0.007 . 1 . . . . 274 LEU H . 17867 1 116 . 1 1 41 41 LEU HA H 1 4.310 0.016 . 1 . . . . 274 LEU HA . 17867 1 117 . 1 1 41 41 LEU C C 13 177.300 0.073 . 1 . . . . 274 LEU C . 17867 1 118 . 1 1 41 41 LEU CA C 13 55.280 . . 1 . . . . 274 LEU CA . 17867 1 119 . 1 1 41 41 LEU CB C 13 42.100 . . 1 . . . . 274 LEU CB . 17867 1 120 . 1 1 41 41 LEU N N 15 124.040 0.039 . 1 . . . . 274 LEU N . 17867 1 121 . 1 1 42 42 ALA H H 1 8.257 0.007 . 1 . . . . 275 ALA H . 17867 1 122 . 1 1 42 42 ALA HA H 1 4.270 0.016 . 1 . . . . 275 ALA HA . 17867 1 123 . 1 1 42 42 ALA C C 13 178.300 0.073 . 1 . . . . 275 ALA C . 17867 1 124 . 1 1 42 42 ALA CA C 13 52.790 0.167 . 1 . . . . 275 ALA CA . 17867 1 125 . 1 1 42 42 ALA CB C 13 18.970 0.167 . 1 . . . . 275 ALA CB . 17867 1 126 . 1 1 42 42 ALA N N 15 124.156 0.039 . 1 . . . . 275 ALA N . 17867 1 127 . 1 1 43 43 GLY H H 1 8.345 0.007 . 1 . . . . 276 GLY H . 17867 1 128 . 1 1 43 43 GLY HA2 H 1 3.923 0.016 . . . . . . 276 GLY HA2 . 17867 1 129 . 1 1 43 43 GLY HA3 H 1 3.923 0.016 . . . . . . 276 GLY HA3 . 17867 1 130 . 1 1 43 43 GLY C C 13 174.100 0.073 . 1 . . . . 276 GLY C . 17867 1 131 . 1 1 43 43 GLY CA C 13 45.240 0.167 . 1 . . . . 276 GLY CA . 17867 1 132 . 1 1 43 43 GLY N N 15 108.114 0.039 . 1 . . . . 276 GLY N . 17867 1 133 . 1 1 44 44 ALA H H 1 8.181 0.007 . 1 . . . . 277 ALA H . 17867 1 134 . 1 1 44 44 ALA HA H 1 4.310 0.016 . 1 . . . . 277 ALA HA . 17867 1 135 . 1 1 44 44 ALA C C 13 178.300 0.073 . 1 . . . . 277 ALA C . 17867 1 136 . 1 1 44 44 ALA CA C 13 52.700 0.167 . 1 . . . . 277 ALA CA . 17867 1 137 . 1 1 44 44 ALA CB C 13 19.150 0.167 . 1 . . . . 277 ALA CB . 17867 1 138 . 1 1 44 44 ALA N N 15 123.558 0.039 . 1 . . . . 277 ALA N . 17867 1 139 . 1 1 45 45 GLY H H 1 8.461 0.007 . 1 . . . . 278 GLY H . 17867 1 140 . 1 1 45 45 GLY HA2 H 1 3.922 0.016 . . . . . . 278 GLY HA2 . 17867 1 141 . 1 1 45 45 GLY HA3 H 1 3.922 0.016 . . . . . . 278 GLY HA3 . 17867 1 142 . 1 1 45 45 GLY C C 13 173.900 0.073 . 1 . . . . 278 GLY C . 17867 1 143 . 1 1 45 45 GLY CA C 13 45.200 0.167 . 1 . . . . 278 GLY CA . 17867 1 144 . 1 1 45 45 GLY N N 15 107.956 0.039 . 1 . . . . 278 GLY N . 17867 1 145 . 1 1 46 46 ARG H H 1 8.136 0.007 . 1 . . . . 279 ARG H . 17867 1 146 . 1 1 46 46 ARG HA H 1 4.340 0.016 . 1 . . . . 279 ARG HA . 17867 1 147 . 1 1 46 46 ARG C C 13 176.200 0.073 . 1 . . . . 279 ARG C . 17867 1 148 . 1 1 46 46 ARG CA C 13 55.900 0.167 . 1 . . . . 279 ARG CA . 17867 1 149 . 1 1 46 46 ARG CB C 13 30.860 0.167 . 1 . . . . 279 ARG CB . 17867 1 150 . 1 1 46 46 ARG N N 15 120.427 0.039 . 1 . . . . 279 ARG N . 17867 1 151 . 1 1 47 47 ARG H H 1 8.576 0.007 . 1 . . . . 280 ARG H . 17867 1 152 . 1 1 47 47 ARG HA H 1 4.450 0.016 . 1 . . . . 280 ARG HA . 17867 1 153 . 1 1 47 47 ARG C C 13 176.700 0.073 . 1 . . . . 280 ARG C . 17867 1 154 . 1 1 47 47 ARG CA C 13 56.000 0.167 . 1 . . . . 280 ARG CA . 17867 1 155 . 1 1 47 47 ARG CB C 13 30.890 0.167 . 1 . . . . 280 ARG CB . 17867 1 156 . 1 1 47 47 ARG N N 15 122.881 0.039 . 1 . . . . 280 ARG N . 17867 1 157 . 1 1 48 48 THR H H 1 8.378 0.007 . 1 . . . . 281 THR H . 17867 1 158 . 1 1 48 48 THR HA H 1 4.370 0.016 . 1 . . . . 281 THR HA . 17867 1 159 . 1 1 48 48 THR C C 13 174.700 0.073 . 1 . . . . 281 THR C . 17867 1 160 . 1 1 48 48 THR CA C 13 61.860 0.167 . 1 . . . . 281 THR CA . 17867 1 161 . 1 1 48 48 THR CB C 13 69.780 0.167 . 1 . . . . 281 THR CB . 17867 1 162 . 1 1 48 48 THR N N 15 115.435 0.039 . 1 . . . . 281 THR N . 17867 1 163 . 1 1 49 49 SER H H 1 8.370 0.007 . 1 . . . . 282 SER H . 17867 1 164 . 1 1 49 49 SER HA H 1 4.450 0.016 . 1 . . . . 282 SER HA . 17867 1 165 . 1 1 49 49 SER C C 13 174.200 0.073 . 1 . . . . 282 SER C . 17867 1 166 . 1 1 49 49 SER CA C 13 58.360 0.167 . 1 . . . . 282 SER CA . 17867 1 167 . 1 1 49 49 SER CB C 13 63.700 0.167 . 1 . . . . 282 SER CB . 17867 1 168 . 1 1 49 49 SER N N 15 116.949 0.039 . 1 . . . . 282 SER N . 17867 1 169 . 1 1 50 50 ASP H H 1 8.365 0.007 . 1 . . . . 283 ASP H . 17867 1 170 . 1 1 50 50 ASP HA H 1 4.650 0.016 . 1 . . . . 283 ASP HA . 17867 1 171 . 1 1 50 50 ASP C C 13 176.100 0.073 . 1 . . . . 283 ASP C . 17867 1 172 . 1 1 50 50 ASP CA C 13 54.360 0.167 . 1 . . . . 283 ASP CA . 17867 1 173 . 1 1 50 50 ASP CB C 13 41.180 0.167 . 1 . . . . 283 ASP CB . 17867 1 174 . 1 1 50 50 ASP N N 15 122.083 0.039 . 1 . . . . 283 ASP N . 17867 1 175 . 1 1 51 51 SER H H 1 8.236 0.007 . 1 . . . . 284 SER H . 17867 1 176 . 1 1 51 51 SER HA H 1 4.390 0.016 . 1 . . . . 284 SER HA . 17867 1 177 . 1 1 51 51 SER C C 13 174.400 0.073 . 1 . . . . 284 SER C . 17867 1 178 . 1 1 51 51 SER CA C 13 58.440 0.167 . 1 . . . . 284 SER CA . 17867 1 179 . 1 1 51 51 SER CB C 13 63.680 0.167 . 1 . . . . 284 SER CB . 17867 1 180 . 1 1 51 51 SER N N 15 115.614 0.039 . 1 . . . . 284 SER N . 17867 1 181 . 1 1 52 52 HIS H H 1 8.449 0.007 . 1 . . . . 285 HIS H . 17867 1 182 . 1 1 52 52 HIS HA H 1 4.600 0.016 . 1 . . . . 285 HIS HA . 17867 1 183 . 1 1 52 52 HIS C C 13 175.200 0.073 . 1 . . . . 285 HIS C . 17867 1 184 . 1 1 52 52 HIS CA C 13 56.360 0.167 . 1 . . . . 285 HIS CA . 17867 1 185 . 1 1 52 52 HIS CB C 13 30.160 0.167 . 1 . . . . 285 HIS CB . 17867 1 186 . 1 1 52 52 HIS N N 15 121.148 0.039 . 1 . . . . 285 HIS N . 17867 1 187 . 1 1 53 53 GLU H H 1 8.378 0.007 . 1 . . . . 286 GLU H . 17867 1 188 . 1 1 53 53 GLU HA H 1 4.230 0.016 . 1 . . . . 286 GLU HA . 17867 1 189 . 1 1 53 53 GLU C C 13 176.000 0.073 . 1 . . . . 286 GLU C . 17867 1 190 . 1 1 53 53 GLU CA C 13 56.660 0.167 . 1 . . . . 286 GLU CA . 17867 1 191 . 1 1 53 53 GLU CB C 13 30.210 0.167 . 1 . . . . 286 GLU CB . 17867 1 192 . 1 1 53 53 GLU N N 15 121.889 0.039 . 1 . . . . 286 GLU N . 17867 1 193 . 1 1 54 54 ASP H H 1 8.488 0.007 . 1 . . . . 287 ASP H . 17867 1 194 . 1 1 54 54 ASP HA H 1 4.590 0.016 . 1 . . . . 287 ASP HA . 17867 1 195 . 1 1 54 54 ASP C C 13 176.100 0.073 . 1 . . . . 287 ASP C . 17867 1 196 . 1 1 54 54 ASP CA C 13 54.290 0.167 . 1 . . . . 287 ASP CA . 17867 1 197 . 1 1 54 54 ASP CB C 13 41.300 0.167 . 1 . . . . 287 ASP CB . 17867 1 198 . 1 1 54 54 ASP N N 15 121.574 0.039 . 1 . . . . 287 ASP N . 17867 1 199 . 1 1 55 55 ALA H H 1 8.373 0.007 . 1 . . . . 288 ALA H . 17867 1 200 . 1 1 55 55 ALA HA H 1 4.260 0.016 . 1 . . . . 288 ALA HA . 17867 1 201 . 1 1 55 55 ALA C C 13 178.300 0.073 . 1 . . . . 288 ALA C . 17867 1 202 . 1 1 55 55 ALA CA C 13 52.990 0.167 . 1 . . . . 288 ALA CA . 17867 1 203 . 1 1 55 55 ALA CB C 13 19.070 0.167 . 1 . . . . 288 ALA CB . 17867 1 204 . 1 1 55 55 ALA N N 15 124.918 0.039 . 1 . . . . 288 ALA N . 17867 1 205 . 1 1 56 56 GLY H H 1 8.486 0.007 . 1 . . . . 289 GLY H . 17867 1 206 . 1 1 56 56 GLY HA2 H 1 3.962 0.016 . . . . . . 289 GLY HA2 . 17867 1 207 . 1 1 56 56 GLY HA3 H 1 3.962 0.016 . . . . . . 289 GLY HA3 . 17867 1 208 . 1 1 56 56 GLY C C 13 174.400 0.073 . 1 . . . . 289 GLY C . 17867 1 209 . 1 1 56 56 GLY CA C 13 45.390 0.167 . 1 . . . . 289 GLY CA . 17867 1 210 . 1 1 56 56 GLY N N 15 107.444 0.039 . 1 . . . . 289 GLY N . 17867 1 211 . 1 1 57 57 THR H H 1 7.993 0.007 . 1 . . . . 290 THR H . 17867 1 212 . 1 1 57 57 THR HA H 1 4.290 0.016 . 1 . . . . 290 THR HA . 17867 1 213 . 1 1 57 57 THR C C 13 174.500 0.073 . 1 . . . . 290 THR C . 17867 1 214 . 1 1 57 57 THR CA C 13 61.980 0.167 . 1 . . . . 290 THR CA . 17867 1 215 . 1 1 57 57 THR CB C 13 69.970 0.167 . 1 . . . . 290 THR CB . 17867 1 216 . 1 1 57 57 THR N N 15 113.643 0.039 . 1 . . . . 290 THR N . 17867 1 217 . 1 1 58 58 LEU H H 1 8.236 0.007 . 1 . . . . 291 LEU H . 17867 1 218 . 1 1 58 58 LEU HA H 1 4.260 0.016 . 1 . . . . 291 LEU HA . 17867 1 219 . 1 1 58 58 LEU C C 13 176.400 0.073 . 1 . . . . 291 LEU C . 17867 1 220 . 1 1 58 58 LEU CA C 13 55.080 0.167 . 1 . . . . 291 LEU CA . 17867 1 221 . 1 1 58 58 LEU CB C 13 42.340 0.167 . 1 . . . . 291 LEU CB . 17867 1 222 . 1 1 58 58 LEU N N 15 124.342 0.039 . 1 . . . . 291 LEU N . 17867 1 223 . 1 1 59 59 ASP H H 1 8.219 0.007 . 1 . . . . 292 ASP H . 17867 1 224 . 1 1 59 59 ASP HA H 1 4.600 0.016 . 1 . . . . 292 ASP HA . 17867 1 225 . 1 1 59 59 ASP C C 13 176.300 0.073 . 1 . . . . 292 ASP C . 17867 1 226 . 1 1 59 59 ASP CA C 13 53.530 0.167 . 1 . . . . 292 ASP CA . 17867 1 227 . 1 1 59 59 ASP CB C 13 41.020 0.167 . 1 . . . . 292 ASP CB . 17867 1 228 . 1 1 59 59 ASP N N 15 120.791 0.039 . 1 . . . . 292 ASP N . 17867 1 229 . 1 1 60 60 PHE H H 1 8.438 0.007 . 1 . . . . 293 PHE H . 17867 1 230 . 1 1 60 60 PHE HA H 1 4.470 0.016 . 1 . . . . 293 PHE HA . 17867 1 231 . 1 1 60 60 PHE C C 13 176.700 0.073 . 1 . . . . 293 PHE C . 17867 1 232 . 1 1 60 60 PHE CA C 13 59.100 0.167 . 1 . . . . 293 PHE CA . 17867 1 233 . 1 1 60 60 PHE CB C 13 38.930 0.167 . 1 . . . . 293 PHE CB . 17867 1 234 . 1 1 60 60 PHE N N 15 122.385 0.039 . 1 . . . . 293 PHE N . 17867 1 235 . 1 1 61 61 SER H H 1 8.409 0.007 . 1 . . . . 294 SER H . 17867 1 236 . 1 1 61 61 SER HA H 1 4.230 0.016 . 1 . . . . 294 SER HA . 17867 1 237 . 1 1 61 61 SER C C 13 175.800 0.073 . 1 . . . . 294 SER C . 17867 1 238 . 1 1 61 61 SER CA C 13 60.250 0.167 . 1 . . . . 294 SER CA . 17867 1 239 . 1 1 61 61 SER CB C 13 63.130 0.167 . 1 . . . . 294 SER CB . 17867 1 240 . 1 1 61 61 SER N N 15 116.025 0.039 . 1 . . . . 294 SER N . 17867 1 241 . 1 1 62 62 SER H H 1 8.176 0.007 . 1 . . . . 295 SER H . 17867 1 242 . 1 1 62 62 SER HA H 1 4.330 0.016 . 1 . . . . 295 SER HA . 17867 1 243 . 1 1 62 62 SER C C 13 175.300 0.073 . 1 . . . . 295 SER C . 17867 1 244 . 1 1 62 62 SER CA C 13 59.720 0.167 . 1 . . . . 295 SER CA . 17867 1 245 . 1 1 62 62 SER CB C 13 63.160 0.167 . 1 . . . . 295 SER CB . 17867 1 246 . 1 1 62 62 SER N N 15 117.523 0.039 . 1 . . . . 295 SER N . 17867 1 247 . 1 1 63 63 LEU H H 1 7.957 0.007 . 1 . . . . 296 LEU H . 17867 1 248 . 1 1 63 63 LEU HA H 1 4.210 0.016 . 1 . . . . 296 LEU HA . 17867 1 249 . 1 1 63 63 LEU C C 13 177.900 0.073 . 1 . . . . 296 LEU C . 17867 1 250 . 1 1 63 63 LEU CA C 13 56.220 0.167 . 1 . . . . 296 LEU CA . 17867 1 251 . 1 1 63 63 LEU CB C 13 41.910 0.167 . 1 . . . . 296 LEU CB . 17867 1 252 . 1 1 63 63 LEU N N 15 122.815 0.039 . 1 . . . . 296 LEU N . 17867 1 253 . 1 1 64 64 LEU H H 1 7.888 0.007 . 1 . . . . 297 LEU H . 17867 1 254 . 1 1 64 64 LEU HA H 1 4.210 0.016 . 1 . . . . 297 LEU HA . 17867 1 255 . 1 1 64 64 LEU C C 13 177.600 0.073 . 1 . . . . 297 LEU C . 17867 1 256 . 1 1 64 64 LEU CA C 13 55.770 0.167 . 1 . . . . 297 LEU CA . 17867 1 257 . 1 1 64 64 LEU CB C 13 41.870 0.167 . 1 . . . . 297 LEU CB . 17867 1 258 . 1 1 64 64 LEU N N 15 120.130 0.039 . 1 . . . . 297 LEU N . 17867 1 259 . 1 1 65 65 LYS H H 1 7.936 0.007 . 1 . . . . 298 LYS H . 17867 1 260 . 1 1 65 65 LYS HA H 1 4.230 0.016 . 1 . . . . 298 LYS HA . 17867 1 261 . 1 1 65 65 LYS C C 13 176.900 0.073 . 1 . . . . 298 LYS C . 17867 1 262 . 1 1 65 65 LYS CA C 13 56.710 0.167 . 1 . . . . 298 LYS CA . 17867 1 263 . 1 1 65 65 LYS CB C 13 32.750 0.167 . 1 . . . . 298 LYS CB . 17867 1 264 . 1 1 65 65 LYS NZ N 15 120.407 0.039 . 1 . . . . 298 LYS NZ . 17867 1 265 . 1 1 66 66 LYS H H 1 8.162 0.007 . 1 . . . . 299 LYS H . 17867 1 266 . 1 1 66 66 LYS HA H 1 4.250 0.016 . 1 . . . . 299 LYS HA . 17867 1 267 . 1 1 66 66 LYS C C 13 177.000 0.073 . 1 . . . . 299 LYS C . 17867 1 268 . 1 1 66 66 LYS CA C 13 56.740 0.167 . 1 . . . . 299 LYS CA . 17867 1 269 . 1 1 66 66 LYS CB C 13 32.780 0.167 . 1 . . . . 299 LYS CB . 17867 1 270 . 1 1 66 66 LYS N N 15 121.806 0.039 . 1 . . . . 299 LYS N . 17867 1 271 . 1 1 67 67 ARG H H 1 8.351 0.007 . 1 . . . . 300 ARG H . 17867 1 272 . 1 1 67 67 ARG HA H 1 4.250 0.016 . 1 . . . . 300 ARG HA . 17867 1 273 . 1 1 67 67 ARG C C 13 176.400 0.073 . 1 . . . . 300 ARG C . 17867 1 274 . 1 1 67 67 ARG CA C 13 56.650 0.167 . 1 . . . . 300 ARG CA . 17867 1 275 . 1 1 67 67 ARG CB C 13 30.680 0.167 . 1 . . . . 300 ARG CB . 17867 1 276 . 1 1 67 67 ARG N N 15 122.073 0.039 . 1 . . . . 300 ARG N . 17867 1 277 . 1 1 68 68 ASP H H 1 8.386 0.007 . 1 . . . . 301 ASP H . 17867 1 278 . 1 1 68 68 ASP HA H 1 4.580 0.016 . 1 . . . . 301 ASP HA . 17867 1 279 . 1 1 68 68 ASP C C 13 176.500 0.073 . 1 . . . . 301 ASP C . 17867 1 280 . 1 1 68 68 ASP CA C 13 54.690 0.167 . 1 . . . . 301 ASP CA . 17867 1 281 . 1 1 68 68 ASP CB C 13 41.080 0.167 . 1 . . . . 301 ASP CB . 17867 1 282 . 1 1 68 68 ASP N N 15 121.143 0.039 . 1 . . . . 301 ASP N . 17867 1 283 . 1 1 69 69 SER H H 1 8.197 0.007 . 1 . . . . 302 SER H . 17867 1 284 . 1 1 69 69 SER HA H 1 4.320 0.016 . 1 . . . . 302 SER HA . 17867 1 285 . 1 1 69 69 SER C C 13 174.300 0.073 . 1 . . . . 302 SER C . 17867 1 286 . 1 1 69 69 SER CA C 13 58.880 0.167 . 1 . . . . 302 SER CA . 17867 1 287 . 1 1 69 69 SER CB C 13 63.550 0.167 . 1 . . . . 302 SER CB . 17867 1 288 . 1 1 69 69 SER N N 15 115.733 0.039 . 1 . . . . 302 SER N . 17867 1 289 . 1 1 70 70 PHE H H 1 8.143 0.007 . 1 . . . . 303 PHE H . 17867 1 290 . 1 1 70 70 PHE HA H 1 4.580 0.016 . 1 . . . . 303 PHE HA . 17867 1 291 . 1 1 70 70 PHE C C 13 175.600 0.073 . 1 . . . . 303 PHE C . 17867 1 292 . 1 1 70 70 PHE CA C 13 57.990 0.167 . 1 . . . . 303 PHE CA . 17867 1 293 . 1 1 70 70 PHE CB C 13 39.270 0.167 . 1 . . . . 303 PHE CB . 17867 1 294 . 1 1 70 70 PHE N N 15 121.560 0.039 . 1 . . . . 303 PHE N . 17867 1 295 . 1 1 71 71 ARG H H 1 8.127 0.007 . 1 . . . . 304 ARG H . 17867 1 296 . 1 1 71 71 ARG HA H 1 4.290 0.016 . 1 . . . . 304 ARG HA . 17867 1 297 . 1 1 71 71 ARG C C 13 176.000 0.073 . 1 . . . . 304 ARG C . 17867 1 298 . 1 1 71 71 ARG CA C 13 56.010 0.167 . 1 . . . . 304 ARG CA . 17867 1 299 . 1 1 71 71 ARG CB C 13 30.750 0.167 . 1 . . . . 304 ARG CB . 17867 1 300 . 1 1 71 71 ARG N N 15 122.425 0.039 . 1 . . . . 304 ARG N . 17867 1 301 . 1 1 72 72 ARG H H 1 8.417 0.007 . 1 . . . . 305 ARG H . 17867 1 302 . 1 1 72 72 ARG HA H 1 4.250 0.016 . 1 . . . . 305 ARG HA . 17867 1 303 . 1 1 72 72 ARG C C 13 176.000 0.073 . 1 . . . . 305 ARG C . 17867 1 304 . 1 1 72 72 ARG CA C 13 56.290 0.167 . 1 . . . . 305 ARG CA . 17867 1 305 . 1 1 72 72 ARG CB C 13 30.680 0.167 . 1 . . . . 305 ARG CB . 17867 1 306 . 1 1 72 72 ARG N N 15 122.681 0.039 . 1 . . . . 305 ARG N . 17867 1 307 . 1 1 73 73 ASP H H 1 8.443 0.007 . 1 . . . . 306 ASP H . 17867 1 308 . 1 1 73 73 ASP HA H 1 4.600 0.016 . 1 . . . . 306 ASP HA . 17867 1 309 . 1 1 73 73 ASP C C 13 176.300 0.073 . 1 . . . . 306 ASP C . 17867 1 310 . 1 1 73 73 ASP CA C 13 54.250 0.167 . 1 . . . . 306 ASP CA . 17867 1 311 . 1 1 73 73 ASP CB C 13 41.090 0.167 . 1 . . . . 306 ASP CB . 17867 1 312 . 1 1 73 73 ASP N N 15 121.143 0.039 . 1 . . . . 306 ASP N . 17867 1 313 . 1 1 74 74 SER H H 1 8.230 0.007 . 1 . . . . 307 SER H . 17867 1 314 . 1 1 74 74 SER HA H 1 4.360 0.016 . 1 . . . . 307 SER HA . 17867 1 315 . 1 1 74 74 SER C C 13 174.600 0.073 . 1 . . . . 307 SER C . 17867 1 316 . 1 1 74 74 SER CA C 13 58.750 0.167 . 1 . . . . 307 SER CA . 17867 1 317 . 1 1 74 74 SER CB C 13 63.640 0.167 . 1 . . . . 307 SER CB . 17867 1 318 . 1 1 74 74 SER N N 15 116.593 0.039 . 1 . . . . 307 SER N . 17867 1 319 . 1 1 75 75 LYS H H 1 8.411 0.007 . 1 . . . . 308 LYS H . 17867 1 320 . 1 1 75 75 LYS HA H 1 4.290 0.016 . 1 . . . . 308 LYS HA . 17867 1 321 . 1 1 75 75 LYS C C 13 176.500 0.073 . 1 . . . . 308 LYS C . 17867 1 322 . 1 1 75 75 LYS CA C 13 56.550 0.167 . 1 . . . . 308 LYS CA . 17867 1 323 . 1 1 75 75 LYS CB C 13 32.520 0.167 . 1 . . . . 308 LYS CB . 17867 1 324 . 1 1 75 75 LYS N N 15 122.558 0.039 . 1 . . . . 308 LYS N . 17867 1 325 . 1 1 76 76 LEU H H 1 8.129 0.007 . 1 . . . . 309 LEU H . 17867 1 326 . 1 1 76 76 LEU HA H 1 4.300 0.016 . 1 . . . . 309 LEU HA . 17867 1 327 . 1 1 76 76 LEU C C 13 177.100 0.073 . 1 . . . . 309 LEU C . 17867 1 328 . 1 1 76 76 LEU CA C 13 55.050 0.167 . 1 . . . . 309 LEU CA . 17867 1 329 . 1 1 76 76 LEU CB C 13 42.270 0.167 . 1 . . . . 309 LEU CB . 17867 1 330 . 1 1 76 76 LEU N N 15 122.172 0.039 . 1 . . . . 309 LEU N . 17867 1 331 . 1 1 77 77 GLU H H 1 8.320 0.007 . 1 . . . . 310 GLU H . 17867 1 332 . 1 1 77 77 GLU HA H 1 4.270 0.016 . 1 . . . . 310 GLU HA . 17867 1 333 . 1 1 77 77 GLU C C 13 175.500 0.073 . 1 . . . . 310 GLU C . 17867 1 334 . 1 1 77 77 GLU CA C 13 56.100 0.167 . 1 . . . . 310 GLU CA . 17867 1 335 . 1 1 77 77 GLU CB C 13 30.350 0.167 . 1 . . . . 310 GLU CB . 17867 1 336 . 1 1 77 77 GLU N N 15 121.450 0.039 . 1 . . . . 310 GLU N . 17867 1 337 . 1 1 78 78 ALA H H 1 8.313 0.007 . 1 . . . . 311 ALA H . 17867 1 338 . 1 1 78 78 ALA HA H 1 4.560 0.016 . 1 . . . . 311 ALA HA . 17867 1 339 . 1 1 78 78 ALA C C 13 175.100 0.073 . 1 . . . . 311 ALA C . 17867 1 340 . 1 1 78 78 ALA CA C 13 50.390 0.167 . 1 . . . . 311 ALA CA . 17867 1 341 . 1 1 78 78 ALA CB C 13 18.240 0.167 . 1 . . . . 311 ALA CB . 17867 1 342 . 1 1 78 78 ALA N N 15 126.059 0.039 . 1 . . . . 311 ALA N . 17867 1 343 . 1 1 79 79 PRO HA H 1 4.400 0.016 . 1 . . . . 312 PRO HA . 17867 1 344 . 1 1 79 79 PRO C C 13 176.500 0.073 . 1 . . . . 312 PRO C . 17867 1 345 . 1 1 79 79 PRO CA C 13 62.850 0.167 . 1 . . . . 312 PRO CA . 17867 1 346 . 1 1 79 79 PRO CB C 13 32.000 0.167 . 1 . . . . 312 PRO CB . 17867 1 347 . 1 1 80 80 ALA H H 1 8.569 0.007 . 1 . . . . 313 ALA H . 17867 1 348 . 1 1 80 80 ALA HA H 1 4.320 0.016 . 1 . . . . 313 ALA HA . 17867 1 349 . 1 1 80 80 ALA C C 13 178.100 0.073 . 1 . . . . 313 ALA C . 17867 1 350 . 1 1 80 80 ALA CA C 13 52.310 0.167 . 1 . . . . 313 ALA CA . 17867 1 351 . 1 1 80 80 ALA CB C 13 19.160 0.167 . 1 . . . . 313 ALA CB . 17867 1 352 . 1 1 80 80 ALA N N 15 124.622 0.039 . 1 . . . . 313 ALA N . 17867 1 353 . 1 1 81 81 GLU H H 1 8.589 0.007 . 1 . . . . 314 GLU H . 17867 1 354 . 1 1 81 81 GLU HA H 1 4.130 0.016 . 1 . . . . 314 GLU HA . 17867 1 355 . 1 1 81 81 GLU C C 13 176.900 0.073 . 1 . . . . 314 GLU C . 17867 1 356 . 1 1 81 81 GLU CA C 13 57.510 0.167 . 1 . . . . 314 GLU CA . 17867 1 357 . 1 1 81 81 GLU CB C 13 30.002 0.167 . 1 . . . . 314 GLU CB . 17867 1 358 . 1 1 81 81 GLU N N 15 120.659 0.039 . 1 . . . . 314 GLU N . 17867 1 359 . 1 1 82 82 GLU H H 1 8.631 0.007 . 1 . . . A 315 GLU H . 17867 1 360 . 1 1 82 82 GLU HA H 1 4.180 0.016 . 1 . . . A 315 GLU HA . 17867 1 361 . 1 1 82 82 GLU C C 13 176.700 0.073 . 1 . . . A 315 GLU C . 17867 1 362 . 1 1 82 82 GLU CA C 13 57.440 0.167 . 1 . . . A 315 GLU CA . 17867 1 363 . 1 1 82 82 GLU CB C 13 30.000 0.167 . 1 . . . A 315 GLU CB . 17867 1 364 . 1 1 82 82 GLU N N 15 120.115 0.039 . 1 . . . A 315 GLU N . 17867 1 365 . 1 1 83 83 ASP H H 1 8.199 0.007 . 1 . . . A 316 ASP H . 17867 1 366 . 1 1 83 83 ASP HA H 1 4.550 0.016 . 1 . . . A 316 ASP HA . 17867 1 367 . 1 1 83 83 ASP C C 13 177.400 0.073 . 1 . . . A 316 ASP C . 17867 1 368 . 1 1 83 83 ASP CA C 13 54.770 0.167 . 1 . . . A 316 ASP CA . 17867 1 369 . 1 1 83 83 ASP CB C 13 41.030 0.167 . 1 . . . A 316 ASP CB . 17867 1 370 . 1 1 83 83 ASP N N 15 121.228 0.039 . 1 . . . A 316 ASP N . 17867 1 371 . 1 1 84 84 VAL H H 1 8.096 0.007 . 1 . . . A 317 VAL H . 17867 1 372 . 1 1 84 84 VAL HA H 1 3.310 0.016 . 1 . . . A 317 VAL HA . 17867 1 373 . 1 1 84 84 VAL C C 13 175.800 0.073 . 1 . . . A 317 VAL C . 17867 1 374 . 1 1 84 84 VAL CA C 13 64.710 0.167 . 1 . . . A 317 VAL CA . 17867 1 375 . 1 1 84 84 VAL CB C 13 31.040 0.167 . 1 . . . A 317 VAL CB . 17867 1 376 . 1 1 84 84 VAL N N 15 121.668 0.039 . 1 . . . A 317 VAL N . 17867 1 377 . 1 1 85 85 TRP H H 1 7.706 0.007 . 1 . . . A 318 TRP H . 17867 1 378 . 1 1 85 85 TRP HA H 1 4.260 0.016 . 1 . . . A 318 TRP HA . 17867 1 379 . 1 1 85 85 TRP C C 13 177.500 0.073 . 1 . . . A 318 TRP C . 17867 1 380 . 1 1 85 85 TRP CA C 13 59.610 0.167 . 1 . . . A 318 TRP CA . 17867 1 381 . 1 1 85 85 TRP CB C 13 28.820 0.167 . 1 . . . A 318 TRP CB . 17867 1 382 . 1 1 85 85 TRP N N 15 121.197 0.039 . 1 . . . A 318 TRP N . 17867 1 383 . 1 1 86 86 GLU H H 1 7.604 0.007 . 1 . . . A 319 GLU H . 17867 1 384 . 1 1 86 86 GLU HA H 1 4.050 0.016 . 1 . . . A 319 GLU HA . 17867 1 385 . 1 1 86 86 GLU C C 13 178.500 0.073 . 1 . . . A 319 GLU C . 17867 1 386 . 1 1 86 86 GLU CA C 13 58.300 0.167 . 1 . . . A 319 GLU CA . 17867 1 387 . 1 1 86 86 GLU CB C 13 29.260 0.167 . 1 . . . A 319 GLU CB . 17867 1 388 . 1 1 86 86 GLU N N 15 117.895 0.039 . 1 . . . A 319 GLU N . 17867 1 389 . 1 1 87 87 ILE H H 1 7.428 0.007 . 1 . . . A 320 ILE H . 17867 1 390 . 1 1 87 87 ILE HA H 1 3.680 0.016 . 1 . . . A 320 ILE HA . 17867 1 391 . 1 1 87 87 ILE C C 13 179.300 0.073 . 1 . . . A 320 ILE C . 17867 1 392 . 1 1 87 87 ILE CA C 13 64.350 0.167 . 1 . . . A 320 ILE CA . 17867 1 393 . 1 1 87 87 ILE CB C 13 37.940 0.167 . 1 . . . A 320 ILE CB . 17867 1 394 . 1 1 87 87 ILE N N 15 119.002 0.039 . 1 . . . A 320 ILE N . 17867 1 395 . 1 1 88 88 LEU H H 1 8.231 0.007 . 1 . . . A 321 LEU H . 17867 1 396 . 1 1 88 88 LEU HA H 1 3.850 0.016 . 1 . . . A 321 LEU HA . 17867 1 397 . 1 1 88 88 LEU C C 13 178.600 0.073 . 1 . . . A 321 LEU C . 17867 1 398 . 1 1 88 88 LEU CA C 13 57.590 0.167 . 1 . . . A 321 LEU CA . 17867 1 399 . 1 1 88 88 LEU CB C 13 41.990 0.167 . 1 . . . A 321 LEU CB . 17867 1 400 . 1 1 88 88 LEU N N 15 119.705 0.039 . 1 . . . A 321 LEU N . 17867 1 401 . 1 1 89 89 ARG H H 1 8.068 0.007 . 1 . . . A 322 ARG H . 17867 1 402 . 1 1 89 89 ARG HA H 1 3.790 0.016 . 1 . . . A 322 ARG HA . 17867 1 403 . 1 1 89 89 ARG C C 13 177.500 0.073 . 1 . . . A 322 ARG C . 17867 1 404 . 1 1 89 89 ARG CA C 13 59.180 0.167 . 1 . . . A 322 ARG CA . 17867 1 405 . 1 1 89 89 ARG CB C 13 29.930 0.167 . 1 . . . A 322 ARG CB . 17867 1 406 . 1 1 89 89 ARG N N 15 116.816 0.039 . 1 . . . A 322 ARG N . 17867 1 407 . 1 1 90 90 GLN H H 1 7.275 0.007 . 1 . . . A 323 GLN H . 17867 1 408 . 1 1 90 90 GLN HA H 1 4.420 0.016 . 1 . . . A 323 GLN HA . 17867 1 409 . 1 1 90 90 GLN C C 13 175.300 0.073 . 1 . . . A 323 GLN C . 17867 1 410 . 1 1 90 90 GLN CA C 13 55.190 0.167 . 1 . . . A 323 GLN CA . 17867 1 411 . 1 1 90 90 GLN CB C 13 29.880 0.167 . 1 . . . A 323 GLN CB . 17867 1 412 . 1 1 90 90 GLN N N 15 114.097 0.039 . 1 . . . A 323 GLN N . 17867 1 413 . 1 1 91 91 ALA H H 1 7.634 0.007 . 1 . . . A 324 ALA H . 17867 1 414 . 1 1 91 91 ALA HA H 1 4.660 0.016 . 1 . . . A 324 ALA HA . 17867 1 415 . 1 1 91 91 ALA C C 13 174.300 0.073 . 1 . . . A 324 ALA C . 17867 1 416 . 1 1 91 91 ALA CA C 13 50.400 0.167 . 1 . . . A 324 ALA CA . 17867 1 417 . 1 1 91 91 ALA CB C 13 18.930 0.167 . 1 . . . A 324 ALA CB . 17867 1 418 . 1 1 91 91 ALA N N 15 124.443 0.039 . 1 . . . A 324 ALA N . 17867 1 419 . 1 1 93 93 PRO HA H 1 3.820 0.016 . 1 . . . A 326 PRO HA . 17867 1 420 . 1 1 93 93 PRO C C 13 178.300 0.073 . 1 . . . A 326 PRO C . 17867 1 421 . 1 1 93 93 PRO CA C 13 63.730 0.167 . 1 . . . A 326 PRO CA . 17867 1 422 . 1 1 93 93 PRO CB C 13 31.790 0.167 . 1 . . . A 326 PRO CB . 17867 1 423 . 1 1 94 94 SER H H 1 7.938 0.007 . 1 . . . A 327 SER H . 17867 1 424 . 1 1 94 94 SER HA H 1 4.100 0.016 . 1 . . . A 327 SER HA . 17867 1 425 . 1 1 94 94 SER C C 13 175.800 0.073 . 1 . . . A 327 SER C . 17867 1 426 . 1 1 94 94 SER CA C 13 60.170 0.167 . 1 . . . A 327 SER CA . 17867 1 427 . 1 1 94 94 SER CB C 13 62.070 0.167 . 1 . . . A 327 SER CB . 17867 1 428 . 1 1 94 94 SER N N 15 111.738 0.039 . 1 . . . A 327 SER N . 17867 1 429 . 1 1 95 95 GLU H H 1 8.201 0.007 . 1 . . . A 328 GLU H . 17867 1 430 . 1 1 95 95 GLU HA H 1 4.530 0.016 . 1 . . . A 328 GLU HA . 17867 1 431 . 1 1 95 95 GLU C C 13 176.500 0.073 . 1 . . . A 328 GLU C . 17867 1 432 . 1 1 95 95 GLU CA C 13 55.560 0.167 . 1 . . . A 328 GLU CA . 17867 1 433 . 1 1 95 95 GLU CB C 13 30.710 0.167 . 1 . . . A 328 GLU CB . 17867 1 434 . 1 1 95 95 GLU N N 15 119.807 0.039 . 1 . . . A 328 GLU N . 17867 1 435 . 1 1 96 96 TYR H H 1 7.458 0.007 . 1 . . . A 329 TYR H . 17867 1 436 . 1 1 96 96 TYR HA H 1 4.200 0.016 . 1 . . . A 329 TYR HA . 17867 1 437 . 1 1 96 96 TYR C C 13 177.300 0.073 . 1 . . . A 329 TYR C . 17867 1 438 . 1 1 96 96 TYR CA C 13 58.690 0.167 . 1 . . . A 329 TYR CA . 17867 1 439 . 1 1 96 96 TYR CB C 13 37.030 0.167 . 1 . . . A 329 TYR CB . 17867 1 440 . 1 1 96 96 TYR N N 15 118.008 0.039 . 1 . . . A 329 TYR N . 17867 1 441 . 1 1 97 97 GLU H H 1 8.679 0.007 . 1 . . . A 330 GLU H . 17867 1 442 . 1 1 97 97 GLU HA H 1 3.870 0.016 . 1 . . . A 330 GLU HA . 17867 1 443 . 1 1 97 97 GLU C C 13 178.500 0.073 . 1 . . . A 330 GLU C . 17867 1 444 . 1 1 97 97 GLU CA C 13 60.390 0.167 . 1 . . . A 330 GLU CA . 17867 1 445 . 1 1 97 97 GLU CB C 13 28.900 0.167 . 1 . . . A 330 GLU CB . 17867 1 446 . 1 1 97 97 GLU N N 15 117.216 0.039 . 1 . . . A 330 GLU N . 17867 1 447 . 1 1 98 98 ARG H H 1 8.201 0.007 . 1 . . . A 331 ARG H . 17867 1 448 . 1 1 98 98 ARG HA H 1 4.130 0.016 . 1 . . . A 331 ARG HA . 17867 1 449 . 1 1 98 98 ARG C C 13 178.900 0.073 . 1 . . . A 331 ARG C . 17867 1 450 . 1 1 98 98 ARG CA C 13 59.360 0.167 . 1 . . . A 331 ARG CA . 17867 1 451 . 1 1 98 98 ARG CB C 13 41.060 0.167 . 1 . . . A 331 ARG CB . 17867 1 452 . 1 1 98 98 ARG N N 15 121.169 0.039 . 1 . . . A 331 ARG N . 17867 1 453 . 1 1 99 99 ILE H H 1 8.320 0.007 . 1 . . . A 332 ILE H . 17867 1 454 . 1 1 99 99 ILE HA H 1 3.830 0.016 . 1 . . . A 332 ILE HA . 17867 1 455 . 1 1 99 99 ILE C C 13 178.400 0.073 . 1 . . . A 332 ILE C . 17867 1 456 . 1 1 99 99 ILE CA C 13 64.920 0.167 . 1 . . . A 332 ILE CA . 17867 1 457 . 1 1 99 99 ILE CB C 13 38.310 0.167 . 1 . . . A 332 ILE CB . 17867 1 458 . 1 1 99 99 ILE N N 15 120.544 0.039 . 1 . . . A 332 ILE N . 17867 1 459 . 1 1 100 100 ALA H H 1 8.709 0.007 . 1 . . . A 333 ALA H . 17867 1 460 . 1 1 100 100 ALA HA H 1 3.820 0.016 . 1 . . . A 333 ALA HA . 17867 1 461 . 1 1 100 100 ALA C C 13 179.500 0.073 . 1 . . . A 333 ALA C . 17867 1 462 . 1 1 100 100 ALA CA C 13 55.640 0.167 . 1 . . . A 333 ALA CA . 17867 1 463 . 1 1 100 100 ALA CB C 13 18.240 0.167 . 1 . . . A 333 ALA CB . 17867 1 464 . 1 1 100 100 ALA N N 15 122.141 . . 1 . . . A 333 ALA N . 17867 1 465 . 1 1 101 101 PHE H H 1 8.275 0.007 . 1 . . . A 334 PHE H . 17867 1 466 . 1 1 101 101 PHE HA H 1 4.350 0.016 . 1 . . . A 334 PHE HA . 17867 1 467 . 1 1 101 101 PHE C C 13 179.400 0.073 . 1 . . . A 334 PHE C . 17867 1 468 . 1 1 101 101 PHE CA C 13 60.710 0.167 . 1 . . . A 334 PHE CA . 17867 1 469 . 1 1 101 101 PHE CB C 13 38.870 0.167 . 1 . . . A 334 PHE CB . 17867 1 470 . 1 1 101 101 PHE N N 15 118.102 0.039 . 1 . . . A 334 PHE N . 17867 1 471 . 1 1 102 102 GLN H H 1 8.382 0.007 . 1 . . . A 335 GLN H . 17867 1 472 . 1 1 102 102 GLN HA H 1 3.890 0.016 . 1 . . . A 335 GLN HA . 17867 1 473 . 1 1 102 102 GLN C C 13 176.900 0.073 . 1 . . . A 335 GLN C . 17867 1 474 . 1 1 102 102 GLN CA C 13 58.130 0.167 . 1 . . . A 335 GLN CA . 17867 1 475 . 1 1 102 102 GLN CB C 13 28.400 0.167 . 1 . . . A 335 GLN CB . 17867 1 476 . 1 1 102 102 GLN N N 15 119.590 0.039 . 1 . . . A 335 GLN N . 17867 1 477 . 1 1 103 103 HIS H H 1 7.753 0.007 . 1 . . . A 336 HIS H . 17867 1 478 . 1 1 103 103 HIS HA H 1 4.500 0.016 . 1 . . . A 336 HIS HA . 17867 1 479 . 1 1 103 103 HIS C C 13 174.800 0.073 . 1 . . . A 336 HIS C . 17867 1 480 . 1 1 103 103 HIS CA C 13 56.640 0.167 . 1 . . . A 336 HIS CA . 17867 1 481 . 1 1 103 103 HIS CB C 13 30.340 0.167 . 1 . . . A 336 HIS CB . 17867 1 482 . 1 1 103 103 HIS N N 15 114.779 0.039 . 1 . . . A 336 HIS N . 17867 1 483 . 1 1 104 104 GLY H H 1 7.698 0.007 . 1 . . . A 337 GLY H . 17867 1 484 . 1 1 104 104 GLY HA2 H 1 3.942 0.016 . . . . . A 337 GLY HA2 . 17867 1 485 . 1 1 104 104 GLY HA3 H 1 3.942 0.016 . . . . . A 337 GLY HA3 . 17867 1 486 . 1 1 104 104 GLY C C 13 174.400 0.073 . 1 . . . A 337 GLY C . 17867 1 487 . 1 1 104 104 GLY CA C 13 46.440 0.167 . 1 . . . A 337 GLY CA . 17867 1 488 . 1 1 104 104 GLY N N 15 108.669 0.039 . 1 . . . A 337 GLY N . 17867 1 489 . 1 1 105 105 VAL H H 1 8.216 0.007 . 1 . . . A 338 VAL H . 17867 1 490 . 1 1 105 105 VAL HA H 1 4.000 0.016 . 1 . . . A 338 VAL HA . 17867 1 491 . 1 1 105 105 VAL C C 13 175.900 0.073 . 1 . . . A 338 VAL C . 17867 1 492 . 1 1 105 105 VAL CA C 13 62.460 0.167 . 1 . . . A 338 VAL CA . 17867 1 493 . 1 1 105 105 VAL CB C 13 32.060 0.167 . 1 . . . A 338 VAL CB . 17867 1 494 . 1 1 105 105 VAL N N 15 120.862 0.039 . 1 . . . A 338 VAL N . 17867 1 495 . 1 1 106 106 THR H H 1 8.285 0.007 . 1 . . . A 339 THR H . 17867 1 496 . 1 1 106 106 THR HA H 1 4.340 0.016 . 1 . . . A 339 THR HA . 17867 1 497 . 1 1 106 106 THR C C 13 174.800 0.073 . 1 . . . A 339 THR C . 17867 1 498 . 1 1 106 106 THR CA C 13 62.500 0.167 . 1 . . . A 339 THR CA . 17867 1 499 . 1 1 106 106 THR CB C 13 69.300 0.167 . 1 . . . A 339 THR CB . 17867 1 500 . 1 1 106 106 THR N N 15 117.786 0.039 . 1 . . . A 339 THR N . 17867 1 501 . 1 1 107 107 ASP H H 1 8.068 0.007 . 1 . . . A 340 ASP H . 17867 1 502 . 1 1 107 107 ASP HA H 1 4.280 0.016 . 1 . . . A 340 ASP HA . 17867 1 503 . 1 1 107 107 ASP C C 13 175.800 0.073 . 1 . . . A 340 ASP C . 17867 1 504 . 1 1 107 107 ASP CA C 13 52.440 0.167 . 1 . . . A 340 ASP CA . 17867 1 505 . 1 1 107 107 ASP CB C 13 40.020 0.167 . 1 . . . A 340 ASP CB . 17867 1 506 . 1 1 107 107 ASP N N 15 122.147 0.039 . 1 . . . A 340 ASP N . 17867 1 507 . 1 1 108 108 LEU H H 1 8.520 0.007 . 1 . . . A 341 LEU H . 17867 1 508 . 1 1 108 108 LEU HA H 1 3.960 0.016 . 1 . . . A 341 LEU HA . 17867 1 509 . 1 1 108 108 LEU C C 13 178.200 0.073 . 1 . . . A 341 LEU C . 17867 1 510 . 1 1 108 108 LEU CA C 13 57.540 0.167 . 1 . . . A 341 LEU CA . 17867 1 511 . 1 1 108 108 LEU CB C 13 41.720 0.167 . 1 . . . A 341 LEU CB . 17867 1 512 . 1 1 108 108 LEU N N 15 125.614 0.039 . 1 . . . A 341 LEU N . 17867 1 513 . 1 1 109 109 ARG H H 1 8.501 0.007 . 1 . . . A 342 ARG H . 17867 1 514 . 1 1 109 109 ARG HA H 1 3.930 0.016 . 1 . . . A 342 ARG HA . 17867 1 515 . 1 1 109 109 ARG C C 13 179.500 0.073 . 1 . . . A 342 ARG C . 17867 1 516 . 1 1 109 109 ARG CA C 13 59.560 0.167 . 1 . . . A 342 ARG CA . 17867 1 517 . 1 1 109 109 ARG CB C 13 29.550 0.167 . 1 . . . A 342 ARG CB . 17867 1 518 . 1 1 109 109 ARG N N 15 118.141 0.039 . 1 . . . A 342 ARG N . 17867 1 519 . 1 1 110 110 GLY H H 1 8.353 0.007 . 1 . . . A 343 GLY H . 17867 1 520 . 1 1 110 110 GLY HA2 H 1 3.939 0.016 . . . . . A 343 GLY HA2 . 17867 1 521 . 1 1 110 110 GLY HA3 H 1 3.939 0.016 . . . . . A 343 GLY HA3 . 17867 1 522 . 1 1 110 110 GLY C C 13 176.300 0.073 . 1 . . . A 343 GLY C . 17867 1 523 . 1 1 110 110 GLY CA C 13 46.940 0.167 . 1 . . . A 343 GLY CA . 17867 1 524 . 1 1 110 110 GLY N N 15 108.347 0.039 . 1 . . . A 343 GLY N . 17867 1 525 . 1 1 111 111 MET H H 1 7.984 0.007 . 1 . . . A 344 MET H . 17867 1 526 . 1 1 111 111 MET HA H 1 4.170 0.016 . 1 . . . A 344 MET HA . 17867 1 527 . 1 1 111 111 MET C C 13 177.800 0.073 . 1 . . . A 344 MET C . 17867 1 528 . 1 1 111 111 MET CA C 13 58.620 . . 1 . . . A 344 MET CA . 17867 1 529 . 1 1 111 111 MET CB C 13 32.780 . . 1 . . . A 344 MET CB . 17867 1 530 . 1 1 111 111 MET N N 15 122.736 0.039 . 1 . . . A 344 MET N . 17867 1 531 . 1 1 112 112 LEU H H 1 8.340 0.007 . 1 . . . A 345 LEU H . 17867 1 532 . 1 1 112 112 LEU HA H 1 3.990 0.016 . 1 . . . A 345 LEU HA . 17867 1 533 . 1 1 112 112 LEU C C 13 179.400 0.073 . 1 . . . A 345 LEU C . 17867 1 534 . 1 1 112 112 LEU CA C 13 57.640 0.167 . 1 . . . A 345 LEU CA . 17867 1 535 . 1 1 112 112 LEU CB C 13 41.180 0.167 . 1 . . . A 345 LEU CB . 17867 1 536 . 1 1 112 112 LEU N N 15 118.666 0.039 . 1 . . . A 345 LEU N . 17867 1 537 . 1 1 113 113 LYS H H 1 7.786 0.007 . 1 . . . A 346 LYS H . 17867 1 538 . 1 1 113 113 LYS HA H 1 4.040 0.016 . 1 . . . A 346 LYS HA . 17867 1 539 . 1 1 113 113 LYS C C 13 179.000 0.073 . 1 . . . A 346 LYS C . 17867 1 540 . 1 1 113 113 LYS CA C 13 59.140 0.167 . 1 . . . A 346 LYS CA . 17867 1 541 . 1 1 113 113 LYS CB C 13 32.340 0.167 . 1 . . . A 346 LYS CB . 17867 1 542 . 1 1 113 113 LYS N N 15 119.190 0.039 . 1 . . . A 346 LYS N . 17867 1 543 . 1 1 114 114 ARG H H 1 7.786 0.007 . 1 . . . A 347 ARG H . 17867 1 544 . 1 1 114 114 ARG HA H 1 4.080 0.016 . 1 . . . A 347 ARG HA . 17867 1 545 . 1 1 114 114 ARG C C 13 178.600 0.073 . 1 . . . A 347 ARG C . 17867 1 546 . 1 1 114 114 ARG CA C 13 58.370 0.167 . 1 . . . A 347 ARG CA . 17867 1 547 . 1 1 114 114 ARG CB C 13 30.120 0.167 . 1 . . . A 347 ARG CB . 17867 1 548 . 1 1 114 114 ARG N N 15 119.664 0.039 . 1 . . . A 347 ARG N . 17867 1 549 . 1 1 115 115 LEU H H 1 8.199 0.007 . 1 . . . A 348 LEU H . 17867 1 550 . 1 1 115 115 LEU HA H 1 4.130 0.016 . 1 . . . A 348 LEU HA . 17867 1 551 . 1 1 115 115 LEU C C 13 178.500 0.073 . 1 . . . A 348 LEU C . 17867 1 552 . 1 1 115 115 LEU CA C 13 57.000 0.167 . 1 . . . A 348 LEU CA . 17867 1 553 . 1 1 115 115 LEU CB C 13 42.110 0.167 . 1 . . . A 348 LEU CB . 17867 1 554 . 1 1 115 115 LEU N N 15 120.259 0.039 . 1 . . . A 348 LEU N . 17867 1 555 . 1 1 116 116 LYS H H 1 7.974 0.007 . 1 . . . A 349 LYS H . 17867 1 556 . 1 1 116 116 LYS HA H 1 4.150 0.016 . 1 . . . A 349 LYS HA . 17867 1 557 . 1 1 116 116 LYS C C 13 178.000 0.073 . 1 . . . A 349 LYS C . 17867 1 558 . 1 1 116 116 LYS CA C 13 57.890 0.167 . 1 . . . A 349 LYS CA . 17867 1 559 . 1 1 116 116 LYS CB C 13 32.370 0.167 . 1 . . . A 349 LYS CB . 17867 1 560 . 1 1 116 116 LYS N N 15 119.011 0.039 . 1 . . . A 349 LYS N . 17867 1 561 . 1 1 117 117 GLY H H 1 7.903 0.007 . 1 . . . . 350 GLY H . 17867 1 562 . 1 1 117 117 GLY HA2 H 1 4.153 0.016 . . . . . . 350 GLY HA2 . 17867 1 563 . 1 1 117 117 GLY HA3 H 1 4.153 0.016 . . . . . . 350 GLY HA3 . 17867 1 564 . 1 1 117 117 GLY C C 13 174.600 0.073 . 1 . . . . 350 GLY C . 17867 1 565 . 1 1 117 117 GLY CA C 13 45.670 0.167 . 1 . . . . 350 GLY CA . 17867 1 566 . 1 1 117 117 GLY N N 15 106.846 0.039 . 1 . . . . 350 GLY N . 17867 1 567 . 1 1 118 118 MET H H 1 7.884 0.007 . 1 . . . . 351 MET H . 17867 1 568 . 1 1 118 118 MET HA H 1 4.380 0.016 . 1 . . . . 351 MET HA . 17867 1 569 . 1 1 118 118 MET C C 13 176.500 0.073 . 1 . . . . 351 MET C . 17867 1 570 . 1 1 118 118 MET CA C 13 56.230 0.167 . 1 . . . . 351 MET CA . 17867 1 571 . 1 1 118 118 MET CB C 13 33.180 0.167 . 1 . . . . 351 MET CB . 17867 1 572 . 1 1 118 118 MET N N 15 119.551 0.039 . 1 . . . . 351 MET N . 17867 1 573 . 1 1 119 119 LYS H H 1 8.239 0.007 . 1 . . . . 352 LYS H . 17867 1 574 . 1 1 119 119 LYS HA H 1 4.290 0.016 . 1 . . . . 352 LYS HA . 17867 1 575 . 1 1 119 119 LYS C C 13 176.700 0.073 . 1 . . . . 352 LYS C . 17867 1 576 . 1 1 119 119 LYS CA C 13 56.470 0.167 . 1 . . . . 352 LYS CA . 17867 1 577 . 1 1 119 119 LYS CB C 13 32.750 0.167 . 1 . . . . 352 LYS CB . 17867 1 578 . 1 1 119 119 LYS N N 15 121.578 0.039 . 1 . . . . 352 LYS N . 17867 1 579 . 1 1 120 120 GLN H H 1 8.432 0.007 . 1 . . . . 353 GLN H . 17867 1 580 . 1 1 120 120 GLN HA H 1 4.300 0.016 . 1 . . . . 353 GLN HA . 17867 1 581 . 1 1 120 120 GLN C C 13 175.800 0.073 . 1 . . . . 353 GLN C . 17867 1 582 . 1 1 120 120 GLN CA C 13 56.100 0.167 . 1 . . . . 353 GLN CA . 17867 1 583 . 1 1 120 120 GLN CB C 13 29.380 0.167 . 1 . . . . 353 GLN CB . 17867 1 584 . 1 1 120 120 GLN N N 15 121.539 0.039 . 1 . . . . 353 GLN N . 17867 1 585 . 1 1 121 121 ASP H H 1 8.418 0.007 . 1 . . . . 354 ASP H . 17867 1 586 . 1 1 121 121 ASP HA H 1 4.580 0.016 . 1 . . . . 354 ASP HA . 17867 1 587 . 1 1 121 121 ASP C C 13 176.100 0.073 . 1 . . . . 354 ASP C . 17867 1 588 . 1 1 121 121 ASP CA C 13 54.470 0.167 . 1 . . . . 354 ASP CA . 17867 1 589 . 1 1 121 121 ASP CB C 13 41.050 0.167 . 1 . . . . 354 ASP CB . 17867 1 590 . 1 1 121 121 ASP N N 15 121.262 0.039 . 1 . . . . 354 ASP N . 17867 1 591 . 1 1 122 122 GLU H H 1 8.295 0.007 . 1 . . . . 355 GLU H . 17867 1 592 . 1 1 122 122 GLU HA H 1 4.250 0.016 . 1 . . . . 355 GLU HA . 17867 1 593 . 1 1 122 122 GLU C C 13 176.100 0.073 . 1 . . . . 355 GLU C . 17867 1 594 . 1 1 122 122 GLU CA C 13 56.530 0.167 . 1 . . . . 355 GLU CA . 17867 1 595 . 1 1 122 122 GLU CB C 13 30.350 0.167 . 1 . . . . 355 GLU CB . 17867 1 596 . 1 1 122 122 GLU N N 15 121.272 0.039 . 1 . . . . 355 GLU N . 17867 1 597 . 1 1 123 123 LYS H H 1 8.384 0.007 . 1 . . . . 356 LYS H . 17867 1 598 . 1 1 123 123 LYS HA H 1 4.310 0.016 . 1 . . . . 356 LYS HA . 17867 1 599 . 1 1 123 123 LYS C C 13 175.500 0.073 . 1 . . . . 356 LYS C . 17867 1 600 . 1 1 123 123 LYS CA C 13 56.240 0.167 . 1 . . . . 356 LYS CA . 17867 1 601 . 1 1 123 123 LYS CB C 13 32.630 0.167 . 1 . . . . 356 LYS CB . 17867 1 602 . 1 1 123 123 LYS N N 15 123.191 0.039 . 1 . . . . 356 LYS N . 17867 1 603 . 1 1 124 124 LYS H H 1 8.030 0.007 . 1 . . . . 357 LYS H . 17867 1 604 . 1 1 124 124 LYS HA H 1 4.160 0.016 . 1 . . . . 357 LYS HA . 17867 1 605 . 1 1 124 124 LYS C C 13 181.300 0.073 . 1 . . . . 357 LYS C . 17867 1 606 . 1 1 124 124 LYS CA C 13 57.490 0.167 . 1 . . . . 357 LYS CA . 17867 1 607 . 1 1 124 124 LYS CB C 13 33.680 0.167 . 1 . . . . 357 LYS CB . 17867 1 608 . 1 1 124 124 LYS N N 15 128.550 0.039 . 1 . . . . 357 LYS N . 17867 1 stop_ save_