data_30307 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30307 _Entry.Title ; Impact of IR active probes on PDZ3 and its ligand binding studied by NMR and X-ray crystallography ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-19 _Entry.Accession_date 2017-12-06 _Entry.Last_release_date 2017-12-06 _Entry.Original_release_date 2017-12-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 F. Lehner F. . . . 30307 2 D. Kudlinzki D. . . . 30307 3 H. Schwalbe H. . . . 30307 4 R. Silvers R. . . . 30307 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Signaling protein' . 30307 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30307 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 30307 '15N chemical shifts' 92 30307 '1H chemical shifts' 614 30307 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 1 . . 2017-12-08 . original BMRB . 30307 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5W72 'BMRB Entry Tracking System' 30307 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30307 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28950050 _Citation.Full_citation . _Citation.Title ; Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7633 _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 2340 _Citation.Page_last 2350 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Lehner F. . . . 30307 1 2 D. Kudlinzki D. . . . 30307 1 3 C. Richter C. . . . 30307 1 4 H. Muller-Werkmeister H. M. . . 30307 1 5 K. Eberl K. B. . . 30307 1 6 J. Bredenbeck J. . . . 30307 1 7 H. Schwalbe H. . . . 30307 1 8 R. Silvers R. . . . 30307 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30307 _Assembly.ID 1 _Assembly.Name 'Disks large homolog 4' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 30307 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30307 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; FLGEEDIPREPRRIVIHRGS TGLGFNIIGGEDGEGIFISF XLAGGPADLSGELRKGDQIL SVNGVDLRNASHEQAAIALK NAGQTVTIIAQYKPEEYSRF EA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11006.229 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PDZ3 na 30307 1 PSD-95 na 30307 1 'Postsynaptic density protein 95' na 30307 1 SAP90 na 30307 1 'Synapse-associated protein 90' na 30307 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 1 301 PHE . 30307 1 2 302 LEU . 30307 1 3 303 GLY . 30307 1 4 304 GLU . 30307 1 5 305 GLU . 30307 1 6 306 ASP . 30307 1 7 307 ILE . 30307 1 8 308 PRO . 30307 1 9 309 ARG . 30307 1 10 310 GLU . 30307 1 11 311 PRO . 30307 1 12 312 ARG . 30307 1 13 313 ARG . 30307 1 14 314 ILE . 30307 1 15 315 VAL . 30307 1 16 316 ILE . 30307 1 17 317 HIS . 30307 1 18 318 ARG . 30307 1 19 319 GLY . 30307 1 20 320 SER . 30307 1 21 321 THR . 30307 1 22 322 GLY . 30307 1 23 323 LEU . 30307 1 24 324 GLY . 30307 1 25 325 PHE . 30307 1 26 326 ASN . 30307 1 27 327 ILE . 30307 1 28 328 ILE . 30307 1 29 329 GLY . 30307 1 30 330 GLY . 30307 1 31 331 GLU . 30307 1 32 332 ASP . 30307 1 33 333 GLY . 30307 1 34 334 GLU . 30307 1 35 335 GLY . 30307 1 36 336 ILE . 30307 1 37 337 PHE . 30307 1 38 338 ILE . 30307 1 39 339 SER . 30307 1 40 340 PHE . 30307 1 41 341 AZH . 30307 1 42 342 LEU . 30307 1 43 343 ALA . 30307 1 44 344 GLY . 30307 1 45 345 GLY . 30307 1 46 346 PRO . 30307 1 47 347 ALA . 30307 1 48 348 ASP . 30307 1 49 349 LEU . 30307 1 50 350 SER . 30307 1 51 351 GLY . 30307 1 52 352 GLU . 30307 1 53 353 LEU . 30307 1 54 354 ARG . 30307 1 55 355 LYS . 30307 1 56 356 GLY . 30307 1 57 357 ASP . 30307 1 58 358 GLN . 30307 1 59 359 ILE . 30307 1 60 360 LEU . 30307 1 61 361 SER . 30307 1 62 362 VAL . 30307 1 63 363 ASN . 30307 1 64 364 GLY . 30307 1 65 365 VAL . 30307 1 66 366 ASP . 30307 1 67 367 LEU . 30307 1 68 368 ARG . 30307 1 69 369 ASN . 30307 1 70 370 ALA . 30307 1 71 371 SER . 30307 1 72 372 HIS . 30307 1 73 373 GLU . 30307 1 74 374 GLN . 30307 1 75 375 ALA . 30307 1 76 376 ALA . 30307 1 77 377 ILE . 30307 1 78 378 ALA . 30307 1 79 379 LEU . 30307 1 80 380 LYS . 30307 1 81 381 ASN . 30307 1 82 382 ALA . 30307 1 83 383 GLY . 30307 1 84 384 GLN . 30307 1 85 385 THR . 30307 1 86 386 VAL . 30307 1 87 387 THR . 30307 1 88 388 ILE . 30307 1 89 389 ILE . 30307 1 90 390 ALA . 30307 1 91 391 GLN . 30307 1 92 392 TYR . 30307 1 93 393 LYS . 30307 1 94 394 PRO . 30307 1 95 395 GLU . 30307 1 96 396 GLU . 30307 1 97 397 TYR . 30307 1 98 398 SER . 30307 1 99 399 ARG . 30307 1 100 400 PHE . 30307 1 101 401 GLU . 30307 1 102 402 ALA . 30307 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 . PHE 1 1 30307 1 . LEU 2 2 30307 1 . GLY 3 3 30307 1 . GLU 4 4 30307 1 . GLU 5 5 30307 1 . ASP 6 6 30307 1 . ILE 7 7 30307 1 . PRO 8 8 30307 1 . ARG 9 9 30307 1 . GLU 10 10 30307 1 . PRO 11 11 30307 1 . ARG 12 12 30307 1 . ARG 13 13 30307 1 . ILE 14 14 30307 1 . VAL 15 15 30307 1 . ILE 16 16 30307 1 . HIS 17 17 30307 1 . ARG 18 18 30307 1 . GLY 19 19 30307 1 . SER 20 20 30307 1 . THR 21 21 30307 1 . GLY 22 22 30307 1 . LEU 23 23 30307 1 . GLY 24 24 30307 1 . PHE 25 25 30307 1 . ASN 26 26 30307 1 . ILE 27 27 30307 1 . ILE 28 28 30307 1 . GLY 29 29 30307 1 . GLY 30 30 30307 1 . GLU 31 31 30307 1 . ASP 32 32 30307 1 . GLY 33 33 30307 1 . GLU 34 34 30307 1 . GLY 35 35 30307 1 . ILE 36 36 30307 1 . PHE 37 37 30307 1 . ILE 38 38 30307 1 . SER 39 39 30307 1 . PHE 40 40 30307 1 . AZH 41 41 30307 1 . LEU 42 42 30307 1 . ALA 43 43 30307 1 . GLY 44 44 30307 1 . GLY 45 45 30307 1 . PRO 46 46 30307 1 . ALA 47 47 30307 1 . ASP 48 48 30307 1 . LEU 49 49 30307 1 . SER 50 50 30307 1 . GLY 51 51 30307 1 . GLU 52 52 30307 1 . LEU 53 53 30307 1 . ARG 54 54 30307 1 . LYS 55 55 30307 1 . GLY 56 56 30307 1 . ASP 57 57 30307 1 . GLN 58 58 30307 1 . ILE 59 59 30307 1 . LEU 60 60 30307 1 . SER 61 61 30307 1 . VAL 62 62 30307 1 . ASN 63 63 30307 1 . GLY 64 64 30307 1 . VAL 65 65 30307 1 . ASP 66 66 30307 1 . LEU 67 67 30307 1 . ARG 68 68 30307 1 . ASN 69 69 30307 1 . ALA 70 70 30307 1 . SER 71 71 30307 1 . HIS 72 72 30307 1 . GLU 73 73 30307 1 . GLN 74 74 30307 1 . ALA 75 75 30307 1 . ALA 76 76 30307 1 . ILE 77 77 30307 1 . ALA 78 78 30307 1 . LEU 79 79 30307 1 . LYS 80 80 30307 1 . ASN 81 81 30307 1 . ALA 82 82 30307 1 . GLY 83 83 30307 1 . GLN 84 84 30307 1 . THR 85 85 30307 1 . VAL 86 86 30307 1 . THR 87 87 30307 1 . ILE 88 88 30307 1 . ILE 89 89 30307 1 . ALA 90 90 30307 1 . GLN 91 91 30307 1 . TYR 92 92 30307 1 . LYS 93 93 30307 1 . PRO 94 94 30307 1 . GLU 95 95 30307 1 . GLU 96 96 30307 1 . TYR 97 97 30307 1 . SER 98 98 30307 1 . ARG 99 99 30307 1 . PHE 100 100 30307 1 . GLU 101 101 30307 1 . ALA 102 102 30307 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 30307 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . 'Dlg4, Dlgh4, Psd95' . 30307 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 30307 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . . . . . B834 . . . . . . . . 30307 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AZH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AZH _Chem_comp.Entry_ID 30307 _Chem_comp.ID AZH _Chem_comp.Provenance PDB _Chem_comp.Name AZIDOHOMOALANINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code AZH _Chem_comp.PDB_code AZH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AZH _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H9 N4 O2' _Chem_comp.Formula_weight 145.140 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2XO2 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CN=[N+]=N)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.6.1 30307 AZH C(CN=[N+]=N)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.6.1 30307 AZH InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1 InChI InChI 1.03 30307 AZH N[C@@H](CCN=[N+]=N)C(O)=O SMILES_CANONICAL CACTVS 3.352 30307 AZH N[CH](CCN=[N+]=N)C(O)=O SMILES CACTVS 3.352 30307 AZH O=C(O)C(N)CC\N=[N+]=[N@H] SMILES ACDLabs 10.04 30307 AZH ZYCQYIKWMNNPJE-VKHMYHEASA-O InChIKey InChI 1.03 30307 AZH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium 'SYSTEMATIC NAME' ACDLabs 10.04 30307 AZH [(3S)-3-amino-4-hydroxy-4-oxo-butyl]imino-imino-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 30307 AZH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -19.870 . 41.281 . 5.534 . 1.445 1.775 0.433 1 . 30307 AZH CA CA CA CA . C . . S 0 . . . 1 no no . . . . -19.127 . 40.834 . 4.361 . 1.175 0.333 0.503 2 . 30307 AZH CB CB CB CB . C . . N 0 . . . 1 no no . . . . -17.688 . 40.525 . 4.755 . -0.042 -0.001 -0.362 3 . 30307 AZH CG CG CG CG . C . . N 0 . . . 1 no no . . . . -16.802 . 41.735 . 4.788 . -1.284 0.672 0.225 4 . 30307 AZH ND ND ND ND . N . . N 0 . . . 1 no no . . . . -16.062 . 41.819 . 3.524 . -2.450 0.353 -0.603 5 . 30307 AZH NE NE NE NE . N . . N 1 . . . 1 no no . . . . -14.776 . 41.659 . 3.517 . -3.327 -0.188 -0.154 6 . 30307 AZH NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . -13.495 . 41.478 . 3.562 . -4.204 -0.729 0.294 7 . 30307 AZH C C C C . C . . N 0 . . . 1 no no . . . . -19.729 . 39.623 . 3.658 . 2.374 -0.428 -0.002 8 . 30307 AZH O O O O . O . . N 0 . . . 1 no no . . . . -19.801 . 39.598 . 2.433 . 3.189 0.125 -0.703 9 . 30307 AZH OX0 OX0 OX0 OX0 . O . . N 0 . . . 1 no yes . . . . -19.950 . 38.552 . 4.411 . 2.537 -1.719 0.326 10 . 30307 AZH HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -19.244 . 41.383 . 6.307 . 2.205 2.031 1.046 11 . 30307 AZH HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . -20.304 . 42.160 . 5.338 . 1.634 2.062 -0.516 12 . 30307 AZH HA HA HA HA . H . . N 0 . . . 1 no no . . . . -19.175 . 41.663 . 3.639 . 0.975 0.050 1.537 13 . 30307 AZH HB1C HB1C HB1C HB1C . H . . N 0 . . . 0 no no . . . . -17.697 . 40.080 . 5.761 . 0.123 0.361 -1.376 14 . 30307 AZH HB2C HB2C HB2C HB2C . H . . N 0 . . . 0 no no . . . . -17.281 . 39.845 . 3.992 . -0.189 -1.081 -0.381 15 . 30307 AZH HG1C HG1C HG1C HG1C . H . . N 0 . . . 0 no no . . . . -17.415 . 42.639 . 4.918 . -1.449 0.310 1.240 16 . 30307 AZH HG2C HG2C HG2C HG2C . H . . N 0 . . . 0 no no . . . . -16.096 . 41.656 . 5.628 . -1.137 1.752 0.244 17 . 30307 AZH HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . -12.503 . 41.386 . 3.481 . -4.234 -1.699 0.282 18 . 30307 AZH HX0 HX0 HX0 HX0 . H . . N 0 . . . 1 no no . . . . -20.161 . 37.811 . 3.855 . 3.321 -2.165 -0.022 19 . 30307 AZH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 30307 AZH 2 . SING CA CB no N 2 . 30307 AZH 3 . SING CA C no N 3 . 30307 AZH 4 . SING CB CG no N 4 . 30307 AZH 5 . SING CG ND no N 5 . 30307 AZH 6 . DOUB ND NE no N 6 . 30307 AZH 7 . DOUB NE NZ no N 7 . 30307 AZH 8 . DOUB C O no N 8 . 30307 AZH 9 . SING C OX0 no N 9 . 30307 AZH 10 . SING N HN1 no N 10 . 30307 AZH 11 . SING N HN2 no N 11 . 30307 AZH 12 . SING CA HA no N 12 . 30307 AZH 13 . SING CB HB1C no N 13 . 30307 AZH 14 . SING CB HB2C no N 14 . 30307 AZH 15 . SING CG HG1C no N 15 . 30307 AZH 16 . SING CG HG2C no N 16 . 30307 AZH 17 . SING NZ HZ no N 17 . 30307 AZH 18 . SING OX0 HX0 no N 18 . 30307 AZH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30307 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-98% 13C; U-98% 15N] PDZ3, 50 mM sodium phosphate, 90% H2O/10% D2O' _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 PDZ3 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30307 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30307 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 30307 _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' 50 . mM 30307 1 pH 6.8 . pH 30307 1 pressure 1 . atm 30307 1 temperature 298 . K 30307 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30307 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 30307 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30307 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30307 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30307 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30307 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30307 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30307 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30307 3 processing 30307 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30307 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30307 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30307 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30307 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _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 30307 _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 NMR_spectrometer_1 Bruker 'Avance III HD' . 700 . . . 30307 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 30307 1 3 NMR_spectrometer_3 Bruker 'Avance III HD' . 800 . . . 30307 1 4 NMR_spectrometer_4 Bruker 'Avance III HD' . 600 . . . 30307 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 30307 _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 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30307 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30307 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30307 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30307 1 5 '2D 13C-15N df-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30307 1 6 '3D 15N edited 13C-15N df-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30307 1 7 '3D 13C edited 13C-15N df-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30307 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30307 1 9 '3D HCCCONH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30307 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30307 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30307 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30307 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30307 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30307 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30307 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30307 _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 $chem_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' . . . 30307 1 2 '2D 1H-1H NOESY' . . . 30307 1 3 '3D 1H-15N NOESY' . . . 30307 1 4 '3D 1H-13C NOESY' . . . 30307 1 5 '2D 13C-15N df-NOESY' . . . 30307 1 6 '3D 15N edited 13C-15N df-NOESY' . . . 30307 1 7 '3D 13C edited 13C-15N df-NOESY' . . . 30307 1 8 '3D HNCACB' . . . 30307 1 9 '3D HCCCONH' . . . 30307 1 10 '3D HNHA' . . . 30307 1 11 '3D HNCO' . . . 30307 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.Ambiguity_set_ID _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 3 3 GLY HA2 H 1 4.022 0.010 . . . . . . A 303 GLY HA2 . 30307 1 2 . 1 1 3 3 GLY HA3 H 1 4.022 0.010 . . . . . . A 303 GLY HA3 . 30307 1 3 . 1 1 3 3 GLY C C 13 174.774 0.000 . . . . . . A 303 GLY C . 30307 1 4 . 1 1 4 4 GLU H H 1 8.770 0.006 . . . . . . A 304 GLU H . 30307 1 5 . 1 1 4 4 GLU HA H 1 4.203 0.004 . . . . . . A 304 GLU HA . 30307 1 6 . 1 1 4 4 GLU HB2 H 1 2.093 0.003 . . . . . . A 304 GLU HB2 . 30307 1 7 . 1 1 4 4 GLU HB3 H 1 1.987 0.004 . . . . . . A 304 GLU HB3 . 30307 1 8 . 1 1 4 4 GLU HG2 H 1 2.294 0.016 . . . . . . A 304 GLU HG2 . 30307 1 9 . 1 1 4 4 GLU HG3 H 1 2.294 0.016 . . . . . . A 304 GLU HG3 . 30307 1 10 . 1 1 4 4 GLU C C 13 177.226 0.000 . . . . . . A 304 GLU C . 30307 1 11 . 1 1 4 4 GLU N N 15 121.342 0.045 . . . . . . A 304 GLU N . 30307 1 12 . 1 1 5 5 GLU H H 1 8.689 0.005 . . . . . . A 305 GLU H . 30307 1 13 . 1 1 5 5 GLU HA H 1 4.255 0.005 . . . . . . A 305 GLU HA . 30307 1 14 . 1 1 5 5 GLU HB2 H 1 2.066 0.003 . . . . . . A 305 GLU HB2 . 30307 1 15 . 1 1 5 5 GLU HB3 H 1 1.953 0.008 . . . . . . A 305 GLU HB3 . 30307 1 16 . 1 1 5 5 GLU HG2 H 1 2.276 0.006 . . . . . . A 305 GLU HG2 . 30307 1 17 . 1 1 5 5 GLU HG3 H 1 2.276 0.006 . . . . . . A 305 GLU HG3 . 30307 1 18 . 1 1 5 5 GLU C C 13 176.295 0.000 . . . . . . A 305 GLU C . 30307 1 19 . 1 1 5 5 GLU CA C 13 57.096 0.051 . . . . . . A 305 GLU CA . 30307 1 20 . 1 1 5 5 GLU CB C 13 29.923 0.026 . . . . . . A 305 GLU CB . 30307 1 21 . 1 1 5 5 GLU CG C 13 36.208 0.003 . . . . . . A 305 GLU CG . 30307 1 22 . 1 1 5 5 GLU N N 15 120.499 0.068 . . . . . . A 305 GLU N . 30307 1 23 . 1 1 6 6 ASP H H 1 8.201 0.009 . . . . . . A 306 ASP H . 30307 1 24 . 1 1 6 6 ASP HA H 1 4.629 0.003 . . . . . . A 306 ASP HA . 30307 1 25 . 1 1 6 6 ASP HB2 H 1 2.710 0.003 . . . . . . A 306 ASP HB2 . 30307 1 26 . 1 1 6 6 ASP HB3 H 1 2.568 0.005 . . . . . . A 306 ASP HB3 . 30307 1 27 . 1 1 6 6 ASP C C 13 175.738 0.000 . . . . . . A 306 ASP C . 30307 1 28 . 1 1 6 6 ASP CA C 13 54.181 0.032 . . . . . . A 306 ASP CA . 30307 1 29 . 1 1 6 6 ASP CB C 13 41.103 0.028 . . . . . . A 306 ASP CB . 30307 1 30 . 1 1 6 6 ASP N N 15 120.805 0.064 . . . . . . A 306 ASP N . 30307 1 31 . 1 1 7 7 ILE H H 1 7.780 0.006 . . . . . . A 307 ILE H . 30307 1 32 . 1 1 7 7 ILE HA H 1 4.309 0.007 . . . . . . A 307 ILE HA . 30307 1 33 . 1 1 7 7 ILE HB H 1 1.607 0.007 . . . . . . A 307 ILE HB . 30307 1 34 . 1 1 7 7 ILE HG12 H 1 1.311 0.002 . . . . . . A 307 ILE HG12 . 30307 1 35 . 1 1 7 7 ILE HG13 H 1 1.311 0.002 . . . . . . A 307 ILE HG13 . 30307 1 36 . 1 1 7 7 ILE HG21 H 1 0.858 0.011 . . . . . . A 307 ILE HG21 . 30307 1 37 . 1 1 7 7 ILE HG22 H 1 0.858 0.011 . . . . . . A 307 ILE HG22 . 30307 1 38 . 1 1 7 7 ILE HG23 H 1 0.858 0.011 . . . . . . A 307 ILE HG23 . 30307 1 39 . 1 1 7 7 ILE HD11 H 1 0.500 0.012 . . . . . . A 307 ILE HD11 . 30307 1 40 . 1 1 7 7 ILE HD12 H 1 0.500 0.012 . . . . . . A 307 ILE HD12 . 30307 1 41 . 1 1 7 7 ILE HD13 H 1 0.500 0.012 . . . . . . A 307 ILE HD13 . 30307 1 42 . 1 1 7 7 ILE CA C 13 58.651 0.049 . . . . . . A 307 ILE CA . 30307 1 43 . 1 1 7 7 ILE CB C 13 39.082 0.021 . . . . . . A 307 ILE CB . 30307 1 44 . 1 1 7 7 ILE CD1 C 13 12.582 0.000 . . . . . . A 307 ILE CD1 . 30307 1 45 . 1 1 7 7 ILE N N 15 123.277 0.039 . . . . . . A 307 ILE N . 30307 1 46 . 1 1 8 8 PRO HA H 1 4.515 0.003 . . . . . . A 308 PRO HA . 30307 1 47 . 1 1 8 8 PRO HB2 H 1 1.958 0.008 . . . . . . A 308 PRO HB2 . 30307 1 48 . 1 1 8 8 PRO HB3 H 1 2.529 0.009 . . . . . . A 308 PRO HB3 . 30307 1 49 . 1 1 8 8 PRO HG2 H 1 2.057 0.006 . . . . . . A 308 PRO HG2 . 30307 1 50 . 1 1 8 8 PRO HG3 H 1 2.057 0.006 . . . . . . A 308 PRO HG3 . 30307 1 51 . 1 1 8 8 PRO HD2 H 1 3.966 0.005 . . . . . . A 308 PRO HD2 . 30307 1 52 . 1 1 8 8 PRO HD3 H 1 3.574 0.008 . . . . . . A 308 PRO HD3 . 30307 1 53 . 1 1 8 8 PRO C C 13 177.970 0.000 . . . . . . A 308 PRO C . 30307 1 54 . 1 1 8 8 PRO CA C 13 63.502 0.026 . . . . . . A 308 PRO CA . 30307 1 55 . 1 1 8 8 PRO CB C 13 32.784 0.038 . . . . . . A 308 PRO CB . 30307 1 56 . 1 1 8 8 PRO CG C 13 27.674 0.025 . . . . . . A 308 PRO CG . 30307 1 57 . 1 1 8 8 PRO CD C 13 51.377 0.006 . . . . . . A 308 PRO CD . 30307 1 58 . 1 1 9 9 ARG H H 1 8.946 0.005 . . . . . . A 309 ARG H . 30307 1 59 . 1 1 9 9 ARG HA H 1 4.640 0.008 . . . . . . A 309 ARG HA . 30307 1 60 . 1 1 9 9 ARG HB2 H 1 2.355 0.005 . . . . . . A 309 ARG HB2 . 30307 1 61 . 1 1 9 9 ARG HB3 H 1 1.909 0.010 . . . . . . A 309 ARG HB3 . 30307 1 62 . 1 1 9 9 ARG HD2 H 1 3.368 0.012 . . . . . . A 309 ARG HD2 . 30307 1 63 . 1 1 9 9 ARG HD3 H 1 3.368 0.012 . . . . . . A 309 ARG HD3 . 30307 1 64 . 1 1 9 9 ARG C C 13 176.776 0.000 . . . . . . A 309 ARG C . 30307 1 65 . 1 1 9 9 ARG CA C 13 55.339 0.072 . . . . . . A 309 ARG CA . 30307 1 66 . 1 1 9 9 ARG CB C 13 30.575 0.025 . . . . . . A 309 ARG CB . 30307 1 67 . 1 1 9 9 ARG CD C 13 42.777 0.010 . . . . . . A 309 ARG CD . 30307 1 68 . 1 1 9 9 ARG N N 15 120.115 0.038 . . . . . . A 309 ARG N . 30307 1 69 . 1 1 10 10 GLU H H 1 7.787 0.005 . . . . . . A 310 GLU H . 30307 1 70 . 1 1 10 10 GLU HA H 1 4.673 0.005 . . . . . . A 310 GLU HA . 30307 1 71 . 1 1 10 10 GLU HB2 H 1 2.150 0.008 . . . . . . A 310 GLU HB2 . 30307 1 72 . 1 1 10 10 GLU HB3 H 1 1.960 0.005 . . . . . . A 310 GLU HB3 . 30307 1 73 . 1 1 10 10 GLU HG2 H 1 2.349 0.005 . . . . . . A 310 GLU HG2 . 30307 1 74 . 1 1 10 10 GLU HG3 H 1 2.349 0.005 . . . . . . A 310 GLU HG3 . 30307 1 75 . 1 1 10 10 GLU CA C 13 55.375 0.001 . . . . . . A 310 GLU CA . 30307 1 76 . 1 1 10 10 GLU CB C 13 28.246 0.029 . . . . . . A 310 GLU CB . 30307 1 77 . 1 1 10 10 GLU CG C 13 36.124 0.000 . . . . . . A 310 GLU CG . 30307 1 78 . 1 1 10 10 GLU N N 15 119.873 0.058 . . . . . . A 310 GLU N . 30307 1 79 . 1 1 11 11 PRO HA H 1 4.673 0.010 . . . . . . A 311 PRO HA . 30307 1 80 . 1 1 11 11 PRO HB2 H 1 2.056 0.002 . . . . . . A 311 PRO HB2 . 30307 1 81 . 1 1 11 11 PRO HB3 H 1 2.056 0.002 . . . . . . A 311 PRO HB3 . 30307 1 82 . 1 1 11 11 PRO HG2 H 1 1.685 0.004 . . . . . . A 311 PRO HG2 . 30307 1 83 . 1 1 11 11 PRO HG3 H 1 1.882 0.006 . . . . . . A 311 PRO HG3 . 30307 1 84 . 1 1 11 11 PRO HD2 H 1 3.594 0.006 . . . . . . A 311 PRO HD2 . 30307 1 85 . 1 1 11 11 PRO HD3 H 1 3.813 0.006 . . . . . . A 311 PRO HD3 . 30307 1 86 . 1 1 11 11 PRO C C 13 176.123 0.000 . . . . . . A 311 PRO C . 30307 1 87 . 1 1 11 11 PRO CA C 13 63.453 0.014 . . . . . . A 311 PRO CA . 30307 1 88 . 1 1 11 11 PRO CB C 13 31.593 0.020 . . . . . . A 311 PRO CB . 30307 1 89 . 1 1 11 11 PRO CG C 13 28.151 0.007 . . . . . . A 311 PRO CG . 30307 1 90 . 1 1 11 11 PRO CD C 13 50.528 0.009 . . . . . . A 311 PRO CD . 30307 1 91 . 1 1 12 12 ARG H H 1 9.411 0.005 . . . . . . A 312 ARG H . 30307 1 92 . 1 1 12 12 ARG HA H 1 4.770 0.014 . . . . . . A 312 ARG HA . 30307 1 93 . 1 1 12 12 ARG HB2 H 1 1.771 0.002 . . . . . . A 312 ARG HB2 . 30307 1 94 . 1 1 12 12 ARG HB3 H 1 1.771 0.002 . . . . . . A 312 ARG HB3 . 30307 1 95 . 1 1 12 12 ARG HG2 H 1 1.559 0.010 . . . . . . A 312 ARG HG2 . 30307 1 96 . 1 1 12 12 ARG HG3 H 1 1.718 0.004 . . . . . . A 312 ARG HG3 . 30307 1 97 . 1 1 12 12 ARG HD2 H 1 3.082 0.003 . . . . . . A 312 ARG HD2 . 30307 1 98 . 1 1 12 12 ARG HD3 H 1 3.292 0.007 . . . . . . A 312 ARG HD3 . 30307 1 99 . 1 1 12 12 ARG C C 13 173.034 0.000 . . . . . . A 312 ARG C . 30307 1 100 . 1 1 12 12 ARG CG C 13 25.574 0.031 . . . . . . A 312 ARG CG . 30307 1 101 . 1 1 12 12 ARG CD C 13 43.701 0.007 . . . . . . A 312 ARG CD . 30307 1 102 . 1 1 12 12 ARG N N 15 122.413 0.046 . . . . . . A 312 ARG N . 30307 1 103 . 1 1 13 13 ARG H H 1 8.440 0.008 . . . . . . A 313 ARG H . 30307 1 104 . 1 1 13 13 ARG HA H 1 4.972 0.003 . . . . . . A 313 ARG HA . 30307 1 105 . 1 1 13 13 ARG HB2 H 1 1.736 0.004 . . . . . . A 313 ARG HB2 . 30307 1 106 . 1 1 13 13 ARG HB3 H 1 1.523 0.006 . . . . . . A 313 ARG HB3 . 30307 1 107 . 1 1 13 13 ARG HG2 H 1 1.218 0.012 . . . . . . A 313 ARG HG2 . 30307 1 108 . 1 1 13 13 ARG HG3 H 1 1.285 0.016 . . . . . . A 313 ARG HG3 . 30307 1 109 . 1 1 13 13 ARG HD2 H 1 3.081 0.005 . . . . . . A 313 ARG HD2 . 30307 1 110 . 1 1 13 13 ARG HD3 H 1 3.081 0.005 . . . . . . A 313 ARG HD3 . 30307 1 111 . 1 1 13 13 ARG C C 13 175.597 0.000 . . . . . . A 313 ARG C . 30307 1 112 . 1 1 13 13 ARG CA C 13 55.251 0.006 . . . . . . A 313 ARG CA . 30307 1 113 . 1 1 13 13 ARG CB C 13 31.833 0.024 . . . . . . A 313 ARG CB . 30307 1 114 . 1 1 13 13 ARG CG C 13 27.831 0.019 . . . . . . A 313 ARG CG . 30307 1 115 . 1 1 13 13 ARG CD C 13 43.398 0.013 . . . . . . A 313 ARG CD . 30307 1 116 . 1 1 13 13 ARG N N 15 122.265 0.039 . . . . . . A 313 ARG N . 30307 1 117 . 1 1 14 14 ILE H H 1 9.592 0.008 . . . . . . A 314 ILE H . 30307 1 118 . 1 1 14 14 ILE HA H 1 4.334 0.007 . . . . . . A 314 ILE HA . 30307 1 119 . 1 1 14 14 ILE HB H 1 1.550 0.012 . . . . . . A 314 ILE HB . 30307 1 120 . 1 1 14 14 ILE HG21 H 1 0.759 0.006 . . . . . . A 314 ILE HG21 . 30307 1 121 . 1 1 14 14 ILE HG22 H 1 0.759 0.006 . . . . . . A 314 ILE HG22 . 30307 1 122 . 1 1 14 14 ILE HG23 H 1 0.759 0.006 . . . . . . A 314 ILE HG23 . 30307 1 123 . 1 1 14 14 ILE C C 13 173.617 0.000 . . . . . . A 314 ILE C . 30307 1 124 . 1 1 14 14 ILE CA C 13 61.003 0.009 . . . . . . A 314 ILE CA . 30307 1 125 . 1 1 14 14 ILE CB C 13 42.772 0.005 . . . . . . A 314 ILE CB . 30307 1 126 . 1 1 14 14 ILE CG2 C 13 19.665 0.010 . . . . . . A 314 ILE CG2 . 30307 1 127 . 1 1 14 14 ILE N N 15 130.915 0.061 . . . . . . A 314 ILE N . 30307 1 128 . 1 1 15 15 VAL H H 1 8.665 0.012 . . . . . . A 315 VAL H . 30307 1 129 . 1 1 15 15 VAL HA H 1 4.890 0.006 . . . . . . A 315 VAL HA . 30307 1 130 . 1 1 15 15 VAL HB H 1 1.818 0.003 . . . . . . A 315 VAL HB . 30307 1 131 . 1 1 15 15 VAL HG11 H 1 0.859 0.005 . . . . . . A 315 VAL HG11 . 30307 1 132 . 1 1 15 15 VAL HG12 H 1 0.859 0.005 . . . . . . A 315 VAL HG12 . 30307 1 133 . 1 1 15 15 VAL HG13 H 1 0.859 0.005 . . . . . . A 315 VAL HG13 . 30307 1 134 . 1 1 15 15 VAL HG21 H 1 0.559 0.011 . . . . . . A 315 VAL HG21 . 30307 1 135 . 1 1 15 15 VAL HG22 H 1 0.559 0.011 . . . . . . A 315 VAL HG22 . 30307 1 136 . 1 1 15 15 VAL HG23 H 1 0.559 0.011 . . . . . . A 315 VAL HG23 . 30307 1 137 . 1 1 15 15 VAL C C 13 175.877 0.000 . . . . . . A 315 VAL C . 30307 1 138 . 1 1 15 15 VAL CA C 13 61.438 0.042 . . . . . . A 315 VAL CA . 30307 1 139 . 1 1 15 15 VAL CB C 13 32.947 0.021 . . . . . . A 315 VAL CB . 30307 1 140 . 1 1 15 15 VAL CG1 C 13 20.909 0.015 . . . . . . A 315 VAL CG1 . 30307 1 141 . 1 1 15 15 VAL N N 15 127.416 0.054 . . . . . . A 315 VAL N . 30307 1 142 . 1 1 16 16 ILE H H 1 9.101 0.006 . . . . . . A 316 ILE H . 30307 1 143 . 1 1 16 16 ILE HA H 1 4.493 0.004 . . . . . . A 316 ILE HA . 30307 1 144 . 1 1 16 16 ILE HB H 1 1.705 0.011 . . . . . . A 316 ILE HB . 30307 1 145 . 1 1 16 16 ILE HG12 H 1 1.117 0.008 . . . . . . A 316 ILE HG12 . 30307 1 146 . 1 1 16 16 ILE HG13 H 1 1.117 0.008 . . . . . . A 316 ILE HG13 . 30307 1 147 . 1 1 16 16 ILE HG21 H 1 1.344 0.067 . . . . . . A 316 ILE HG21 . 30307 1 148 . 1 1 16 16 ILE HG22 H 1 1.344 0.067 . . . . . . A 316 ILE HG22 . 30307 1 149 . 1 1 16 16 ILE HG23 H 1 1.344 0.067 . . . . . . A 316 ILE HG23 . 30307 1 150 . 1 1 16 16 ILE HD11 H 1 0.848 0.013 . . . . . . A 316 ILE HD11 . 30307 1 151 . 1 1 16 16 ILE HD12 H 1 0.848 0.013 . . . . . . A 316 ILE HD12 . 30307 1 152 . 1 1 16 16 ILE HD13 H 1 0.848 0.013 . . . . . . A 316 ILE HD13 . 30307 1 153 . 1 1 16 16 ILE C C 13 173.775 0.000 . . . . . . A 316 ILE C . 30307 1 154 . 1 1 16 16 ILE CA C 13 58.910 0.083 . . . . . . A 316 ILE CA . 30307 1 155 . 1 1 16 16 ILE CB C 13 41.505 0.076 . . . . . . A 316 ILE CB . 30307 1 156 . 1 1 16 16 ILE CD1 C 13 18.266 0.017 . . . . . . A 316 ILE CD1 . 30307 1 157 . 1 1 16 16 ILE N N 15 126.278 0.053 . . . . . . A 316 ILE N . 30307 1 158 . 1 1 17 17 HIS H H 1 8.665 0.007 . . . . . . A 317 HIS H . 30307 1 159 . 1 1 17 17 HIS HA H 1 5.271 0.007 . . . . . . A 317 HIS HA . 30307 1 160 . 1 1 17 17 HIS HB2 H 1 3.006 0.032 . . . . . . A 317 HIS HB2 . 30307 1 161 . 1 1 17 17 HIS HB3 H 1 3.087 0.007 . . . . . . A 317 HIS HB3 . 30307 1 162 . 1 1 17 17 HIS HD2 H 1 7.080 0.000 . . . . . . A 317 HIS HD2 . 30307 1 163 . 1 1 17 17 HIS C C 13 174.939 0.000 . . . . . . A 317 HIS C . 30307 1 164 . 1 1 17 17 HIS CA C 13 54.546 0.011 . . . . . . A 317 HIS CA . 30307 1 165 . 1 1 17 17 HIS CB C 13 30.342 0.003 . . . . . . A 317 HIS CB . 30307 1 166 . 1 1 17 17 HIS N N 15 124.788 0.096 . . . . . . A 317 HIS N . 30307 1 167 . 1 1 18 18 ARG H H 1 8.844 0.005 . . . . . . A 318 ARG H . 30307 1 168 . 1 1 18 18 ARG HA H 1 3.838 0.005 . . . . . . A 318 ARG HA . 30307 1 169 . 1 1 18 18 ARG HB2 H 1 1.771 0.016 . . . . . . A 318 ARG HB2 . 30307 1 170 . 1 1 18 18 ARG HB3 H 1 1.771 0.016 . . . . . . A 318 ARG HB3 . 30307 1 171 . 1 1 18 18 ARG HG2 H 1 1.352 0.008 . . . . . . A 318 ARG HG2 . 30307 1 172 . 1 1 18 18 ARG HG3 H 1 1.352 0.008 . . . . . . A 318 ARG HG3 . 30307 1 173 . 1 1 18 18 ARG HD2 H 1 3.109 0.003 . . . . . . A 318 ARG HD2 . 30307 1 174 . 1 1 18 18 ARG HD3 H 1 3.109 0.003 . . . . . . A 318 ARG HD3 . 30307 1 175 . 1 1 18 18 ARG C C 13 176.125 0.000 . . . . . . A 318 ARG C . 30307 1 176 . 1 1 18 18 ARG CA C 13 57.657 0.042 . . . . . . A 318 ARG CA . 30307 1 177 . 1 1 18 18 ARG CB C 13 31.751 0.024 . . . . . . A 318 ARG CB . 30307 1 178 . 1 1 18 18 ARG N N 15 125.367 0.053 . . . . . . A 318 ARG N . 30307 1 179 . 1 1 19 19 GLY H H 1 7.913 0.031 . . . . . . A 319 GLY H . 30307 1 180 . 1 1 19 19 GLY HA2 H 1 3.963 0.005 . . . . . . A 319 GLY HA2 . 30307 1 181 . 1 1 19 19 GLY HA3 H 1 4.568 0.002 . . . . . . A 319 GLY HA3 . 30307 1 182 . 1 1 19 19 GLY CA C 13 44.779 0.020 . . . . . . A 319 GLY CA . 30307 1 183 . 1 1 19 19 GLY N N 15 112.915 0.047 . . . . . . A 319 GLY N . 30307 1 184 . 1 1 21 21 THR HA H 1 4.519 0.016 . . . . . . A 321 THR HA . 30307 1 185 . 1 1 21 21 THR HB H 1 4.472 0.000 . . . . . . A 321 THR HB . 30307 1 186 . 1 1 21 21 THR HG21 H 1 1.199 0.003 . . . . . . A 321 THR HG21 . 30307 1 187 . 1 1 21 21 THR HG22 H 1 1.199 0.003 . . . . . . A 321 THR HG22 . 30307 1 188 . 1 1 21 21 THR HG23 H 1 1.199 0.003 . . . . . . A 321 THR HG23 . 30307 1 189 . 1 1 21 21 THR C C 13 174.694 0.000 . . . . . . A 321 THR C . 30307 1 190 . 1 1 21 21 THR CA C 13 60.991 0.000 . . . . . . A 321 THR CA . 30307 1 191 . 1 1 21 21 THR CB C 13 69.203 0.028 . . . . . . A 321 THR CB . 30307 1 192 . 1 1 21 21 THR CG2 C 13 21.527 0.062 . . . . . . A 321 THR CG2 . 30307 1 193 . 1 1 22 22 GLY H H 1 7.819 0.014 . . . . . . A 322 GLY H . 30307 1 194 . 1 1 22 22 GLY HA2 H 1 3.743 0.005 . . . . . . A 322 GLY HA2 . 30307 1 195 . 1 1 22 22 GLY HA3 H 1 4.429 0.009 . . . . . . A 322 GLY HA3 . 30307 1 196 . 1 1 22 22 GLY CA C 13 45.025 0.017 . . . . . . A 322 GLY CA . 30307 1 197 . 1 1 22 22 GLY N N 15 109.407 0.042 . . . . . . A 322 GLY N . 30307 1 198 . 1 1 23 23 LEU HA H 1 4.104 0.006 . . . . . . A 323 LEU HA . 30307 1 199 . 1 1 23 23 LEU HB2 H 1 1.307 0.012 . . . . . . A 323 LEU HB2 . 30307 1 200 . 1 1 23 23 LEU HB3 H 1 1.307 0.012 . . . . . . A 323 LEU HB3 . 30307 1 201 . 1 1 23 23 LEU HG H 1 1.220 0.006 . . . . . . A 323 LEU HG . 30307 1 202 . 1 1 23 23 LEU HD11 H 1 0.719 0.027 . . . . . . A 323 LEU HD11 . 30307 1 203 . 1 1 23 23 LEU HD12 H 1 0.719 0.027 . . . . . . A 323 LEU HD12 . 30307 1 204 . 1 1 23 23 LEU HD13 H 1 0.719 0.027 . . . . . . A 323 LEU HD13 . 30307 1 205 . 1 1 23 23 LEU HD21 H 1 0.826 0.014 . . . . . . A 323 LEU HD21 . 30307 1 206 . 1 1 23 23 LEU HD22 H 1 0.826 0.014 . . . . . . A 323 LEU HD22 . 30307 1 207 . 1 1 23 23 LEU HD23 H 1 0.826 0.014 . . . . . . A 323 LEU HD23 . 30307 1 208 . 1 1 23 23 LEU C C 13 177.020 0.000 . . . . . . A 323 LEU C . 30307 1 209 . 1 1 23 23 LEU CA C 13 55.853 0.023 . . . . . . A 323 LEU CA . 30307 1 210 . 1 1 23 23 LEU CB C 13 42.551 0.045 . . . . . . A 323 LEU CB . 30307 1 211 . 1 1 24 24 GLY H H 1 8.449 0.007 . . . . . . A 324 GLY H . 30307 1 212 . 1 1 24 24 GLY HA2 H 1 3.763 0.007 . . . . . . A 324 GLY HA2 . 30307 1 213 . 1 1 24 24 GLY HA3 H 1 4.263 0.004 . . . . . . A 324 GLY HA3 . 30307 1 214 . 1 1 24 24 GLY C C 13 174.533 0.000 . . . . . . A 324 GLY C . 30307 1 215 . 1 1 24 24 GLY CA C 13 45.875 0.019 . . . . . . A 324 GLY CA . 30307 1 216 . 1 1 24 24 GLY N N 15 102.652 0.081 . . . . . . A 324 GLY N . 30307 1 217 . 1 1 25 25 PHE H H 1 7.048 0.027 . . . . . . A 325 PHE H . 30307 1 218 . 1 1 25 25 PHE HA H 1 5.442 0.015 . . . . . . A 325 PHE HA . 30307 1 219 . 1 1 25 25 PHE HB2 H 1 3.125 0.009 . . . . . . A 325 PHE HB2 . 30307 1 220 . 1 1 25 25 PHE HB3 H 1 3.419 0.020 . . . . . . A 325 PHE HB3 . 30307 1 221 . 1 1 25 25 PHE HD1 H 1 6.797 0.003 . . . . . . A 325 PHE HD1 . 30307 1 222 . 1 1 25 25 PHE HD2 H 1 6.797 0.003 . . . . . . A 325 PHE HD2 . 30307 1 223 . 1 1 25 25 PHE HE1 H 1 6.851 0.005 . . . . . . A 325 PHE HE1 . 30307 1 224 . 1 1 25 25 PHE HE2 H 1 6.851 0.005 . . . . . . A 325 PHE HE2 . 30307 1 225 . 1 1 25 25 PHE C C 13 173.097 0.000 . . . . . . A 325 PHE C . 30307 1 226 . 1 1 25 25 PHE CA C 13 56.046 0.082 . . . . . . A 325 PHE CA . 30307 1 227 . 1 1 25 25 PHE CB C 13 41.325 0.101 . . . . . . A 325 PHE CB . 30307 1 228 . 1 1 25 25 PHE N N 15 114.105 0.058 . . . . . . A 325 PHE N . 30307 1 229 . 1 1 26 26 ASN H H 1 8.689 0.006 . . . . . . A 326 ASN H . 30307 1 230 . 1 1 26 26 ASN HA H 1 5.302 0.006 . . . . . . A 326 ASN HA . 30307 1 231 . 1 1 26 26 ASN HB2 H 1 2.704 0.024 . . . . . . A 326 ASN HB2 . 30307 1 232 . 1 1 26 26 ASN HB3 H 1 3.029 0.012 . . . . . . A 326 ASN HB3 . 30307 1 233 . 1 1 26 26 ASN C C 13 174.699 0.000 . . . . . . A 326 ASN C . 30307 1 234 . 1 1 26 26 ASN CA C 13 51.243 0.021 . . . . . . A 326 ASN CA . 30307 1 235 . 1 1 26 26 ASN CB C 13 41.354 0.020 . . . . . . A 326 ASN CB . 30307 1 236 . 1 1 26 26 ASN N N 15 118.509 0.057 . . . . . . A 326 ASN N . 30307 1 237 . 1 1 27 27 ILE H H 1 8.390 0.010 . . . . . . A 327 ILE H . 30307 1 238 . 1 1 27 27 ILE HA H 1 5.831 0.005 . . . . . . A 327 ILE HA . 30307 1 239 . 1 1 27 27 ILE HB H 1 1.764 0.009 . . . . . . A 327 ILE HB . 30307 1 240 . 1 1 27 27 ILE HD11 H 1 0.851 0.012 . . . . . . A 327 ILE HD11 . 30307 1 241 . 1 1 27 27 ILE HD12 H 1 0.851 0.012 . . . . . . A 327 ILE HD12 . 30307 1 242 . 1 1 27 27 ILE HD13 H 1 0.851 0.012 . . . . . . A 327 ILE HD13 . 30307 1 243 . 1 1 27 27 ILE C C 13 175.373 0.000 . . . . . . A 327 ILE C . 30307 1 244 . 1 1 27 27 ILE CA C 13 58.910 0.030 . . . . . . A 327 ILE CA . 30307 1 245 . 1 1 27 27 ILE CB C 13 42.947 0.022 . . . . . . A 327 ILE CB . 30307 1 246 . 1 1 27 27 ILE CD1 C 13 13.236 0.000 . . . . . . A 327 ILE CD1 . 30307 1 247 . 1 1 27 27 ILE N N 15 111.915 0.034 . . . . . . A 327 ILE N . 30307 1 248 . 1 1 28 28 ILE H H 1 9.380 0.014 . . . . . . A 328 ILE H . 30307 1 249 . 1 1 28 28 ILE HA H 1 4.613 0.013 . . . . . . A 328 ILE HA . 30307 1 250 . 1 1 28 28 ILE HB H 1 1.707 0.006 . . . . . . A 328 ILE HB . 30307 1 251 . 1 1 28 28 ILE HG12 H 1 1.372 0.007 . . . . . . A 328 ILE HG12 . 30307 1 252 . 1 1 28 28 ILE HG13 H 1 0.982 0.012 . . . . . . A 328 ILE HG13 . 30307 1 253 . 1 1 28 28 ILE HG21 H 1 0.970 0.841 . . . . . . A 328 ILE HG21 . 30307 1 254 . 1 1 28 28 ILE HG22 H 1 0.970 0.841 . . . . . . A 328 ILE HG22 . 30307 1 255 . 1 1 28 28 ILE HG23 H 1 0.970 0.841 . . . . . . A 328 ILE HG23 . 30307 1 256 . 1 1 28 28 ILE HD11 H 1 0.590 0.021 . . . . . . A 328 ILE HD11 . 30307 1 257 . 1 1 28 28 ILE HD12 H 1 0.590 0.021 . . . . . . A 328 ILE HD12 . 30307 1 258 . 1 1 28 28 ILE HD13 H 1 0.590 0.021 . . . . . . A 328 ILE HD13 . 30307 1 259 . 1 1 28 28 ILE C C 13 172.706 0.000 . . . . . . A 328 ILE C . 30307 1 260 . 1 1 28 28 ILE CA C 13 59.766 0.017 . . . . . . A 328 ILE CA . 30307 1 261 . 1 1 28 28 ILE CB C 13 43.237 0.009 . . . . . . A 328 ILE CB . 30307 1 262 . 1 1 28 28 ILE CG1 C 13 28.145 0.019 . . . . . . A 328 ILE CG1 . 30307 1 263 . 1 1 28 28 ILE CG2 C 13 14.731 0.013 . . . . . . A 328 ILE CG2 . 30307 1 264 . 1 1 28 28 ILE CD1 C 13 12.948 0.006 . . . . . . A 328 ILE CD1 . 30307 1 265 . 1 1 28 28 ILE N N 15 120.290 0.041 . . . . . . A 328 ILE N . 30307 1 266 . 1 1 29 29 GLY H H 1 8.082 0.014 . . . . . . A 329 GLY H . 30307 1 267 . 1 1 29 29 GLY HA2 H 1 4.205 0.015 . . . . . . A 329 GLY HA2 . 30307 1 268 . 1 1 29 29 GLY HA3 H 1 5.074 0.055 . . . . . . A 329 GLY HA3 . 30307 1 269 . 1 1 29 29 GLY C C 13 175.373 0.000 . . . . . . A 329 GLY C . 30307 1 270 . 1 1 29 29 GLY CA C 13 44.157 0.008 . . . . . . A 329 GLY CA . 30307 1 271 . 1 1 29 29 GLY N N 15 109.485 0.091 . . . . . . A 329 GLY N . 30307 1 272 . 1 1 30 30 GLY H H 1 8.382 0.011 . . . . . . A 330 GLY H . 30307 1 273 . 1 1 30 30 GLY HA2 H 1 4.090 0.085 . . . . . . A 330 GLY HA2 . 30307 1 274 . 1 1 30 30 GLY HA3 H 1 4.170 0.062 . . . . . . A 330 GLY HA3 . 30307 1 275 . 1 1 30 30 GLY C C 13 175.507 0.000 . . . . . . A 330 GLY C . 30307 1 276 . 1 1 30 30 GLY CA C 13 46.002 0.018 . . . . . . A 330 GLY CA . 30307 1 277 . 1 1 30 30 GLY N N 15 107.479 0.041 . . . . . . A 330 GLY N . 30307 1 278 . 1 1 31 31 GLU H H 1 9.176 0.007 . . . . . . A 331 GLU H . 30307 1 279 . 1 1 31 31 GLU HA H 1 4.469 0.007 . . . . . . A 331 GLU HA . 30307 1 280 . 1 1 31 31 GLU HB2 H 1 2.020 0.007 . . . . . . A 331 GLU HB2 . 30307 1 281 . 1 1 31 31 GLU HB3 H 1 2.115 0.011 . . . . . . A 331 GLU HB3 . 30307 1 282 . 1 1 31 31 GLU HG2 H 1 2.321 0.030 . . . . . . A 331 GLU HG2 . 30307 1 283 . 1 1 31 31 GLU HG3 H 1 2.321 0.030 . . . . . . A 331 GLU HG3 . 30307 1 284 . 1 1 31 31 GLU C C 13 177.123 0.000 . . . . . . A 331 GLU C . 30307 1 285 . 1 1 31 31 GLU CA C 13 57.099 0.038 . . . . . . A 331 GLU CA . 30307 1 286 . 1 1 31 31 GLU CB C 13 30.184 0.014 . . . . . . A 331 GLU CB . 30307 1 287 . 1 1 31 31 GLU CG C 13 36.618 0.005 . . . . . . A 331 GLU CG . 30307 1 288 . 1 1 31 31 GLU N N 15 122.855 0.035 . . . . . . A 331 GLU N . 30307 1 289 . 1 1 32 32 ASP H H 1 9.268 0.010 . . . . . . A 332 ASP H . 30307 1 290 . 1 1 32 32 ASP HA H 1 4.554 0.005 . . . . . . A 332 ASP HA . 30307 1 291 . 1 1 32 32 ASP HB2 H 1 2.605 0.005 . . . . . . A 332 ASP HB2 . 30307 1 292 . 1 1 32 32 ASP HB3 H 1 2.824 0.009 . . . . . . A 332 ASP HB3 . 30307 1 293 . 1 1 32 32 ASP C C 13 176.606 0.000 . . . . . . A 332 ASP C . 30307 1 294 . 1 1 32 32 ASP CA C 13 54.768 0.030 . . . . . . A 332 ASP CA . 30307 1 295 . 1 1 32 32 ASP CB C 13 40.753 0.011 . . . . . . A 332 ASP CB . 30307 1 296 . 1 1 32 32 ASP N N 15 121.375 0.091 . . . . . . A 332 ASP N . 30307 1 297 . 1 1 33 33 GLY H H 1 8.422 0.008 . . . . . . A 333 GLY H . 30307 1 298 . 1 1 33 33 GLY HA2 H 1 3.780 0.005 . . . . . . A 333 GLY HA2 . 30307 1 299 . 1 1 33 33 GLY HA3 H 1 4.039 0.005 . . . . . . A 333 GLY HA3 . 30307 1 300 . 1 1 33 33 GLY CA C 13 46.435 0.038 . . . . . . A 333 GLY CA . 30307 1 301 . 1 1 33 33 GLY N N 15 107.473 0.036 . . . . . . A 333 GLY N . 30307 1 302 . 1 1 34 34 GLU H H 1 8.742 0.012 . . . . . . A 334 GLU H . 30307 1 303 . 1 1 34 34 GLU HA H 1 4.393 0.003 . . . . . . A 334 GLU HA . 30307 1 304 . 1 1 34 34 GLU HB2 H 1 2.267 0.021 . . . . . . A 334 GLU HB2 . 30307 1 305 . 1 1 34 34 GLU HB3 H 1 2.267 0.021 . . . . . . A 334 GLU HB3 . 30307 1 306 . 1 1 34 34 GLU HG2 H 1 2.509 0.009 . . . . . . A 334 GLU HG2 . 30307 1 307 . 1 1 34 34 GLU HG3 H 1 2.509 0.009 . . . . . . A 334 GLU HG3 . 30307 1 308 . 1 1 34 34 GLU C C 13 176.570 0.000 . . . . . . A 334 GLU C . 30307 1 309 . 1 1 34 34 GLU CA C 13 57.392 0.048 . . . . . . A 334 GLU CA . 30307 1 310 . 1 1 34 34 GLU CB C 13 29.920 0.028 . . . . . . A 334 GLU CB . 30307 1 311 . 1 1 34 34 GLU CG C 13 36.304 0.012 . . . . . . A 334 GLU CG . 30307 1 312 . 1 1 34 34 GLU N N 15 119.195 0.041 . . . . . . A 334 GLU N . 30307 1 313 . 1 1 35 35 GLY H H 1 8.377 0.110 . . . . . . A 335 GLY H . 30307 1 314 . 1 1 35 35 GLY HA2 H 1 4.373 0.013 . . . . . . A 335 GLY HA2 . 30307 1 315 . 1 1 35 35 GLY HA3 H 1 3.649 0.005 . . . . . . A 335 GLY HA3 . 30307 1 316 . 1 1 35 35 GLY C C 13 171.743 0.000 . . . . . . A 335 GLY C . 30307 1 317 . 1 1 35 35 GLY CA C 13 44.440 0.012 . . . . . . A 335 GLY CA . 30307 1 318 . 1 1 35 35 GLY N N 15 108.964 0.062 . . . . . . A 335 GLY N . 30307 1 319 . 1 1 36 36 ILE H H 1 8.568 0.011 . . . . . . A 336 ILE H . 30307 1 320 . 1 1 36 36 ILE HA H 1 4.773 0.016 . . . . . . A 336 ILE HA . 30307 1 321 . 1 1 36 36 ILE HB H 1 2.041 0.009 . . . . . . A 336 ILE HB . 30307 1 322 . 1 1 36 36 ILE HG12 H 1 1.696 0.005 . . . . . . A 336 ILE HG12 . 30307 1 323 . 1 1 36 36 ILE HG13 H 1 1.110 0.046 . . . . . . A 336 ILE HG13 . 30307 1 324 . 1 1 36 36 ILE HG21 H 1 0.700 0.005 . . . . . . A 336 ILE HG21 . 30307 1 325 . 1 1 36 36 ILE HG22 H 1 0.700 0.005 . . . . . . A 336 ILE HG22 . 30307 1 326 . 1 1 36 36 ILE HG23 H 1 0.700 0.005 . . . . . . A 336 ILE HG23 . 30307 1 327 . 1 1 36 36 ILE HD11 H 1 0.518 0.015 . . . . . . A 336 ILE HD11 . 30307 1 328 . 1 1 36 36 ILE HD12 H 1 0.518 0.015 . . . . . . A 336 ILE HD12 . 30307 1 329 . 1 1 36 36 ILE HD13 H 1 0.518 0.015 . . . . . . A 336 ILE HD13 . 30307 1 330 . 1 1 36 36 ILE C C 13 174.880 0.000 . . . . . . A 336 ILE C . 30307 1 331 . 1 1 36 36 ILE CA C 13 57.478 0.011 . . . . . . A 336 ILE CA . 30307 1 332 . 1 1 36 36 ILE CB C 13 37.057 0.056 . . . . . . A 336 ILE CB . 30307 1 333 . 1 1 36 36 ILE CG2 C 13 18.290 0.018 . . . . . . A 336 ILE CG2 . 30307 1 334 . 1 1 36 36 ILE CD1 C 13 9.306 0.011 . . . . . . A 336 ILE CD1 . 30307 1 335 . 1 1 36 36 ILE N N 15 119.536 0.063 . . . . . . A 336 ILE N . 30307 1 336 . 1 1 37 37 PHE H H 1 9.112 0.006 . . . . . . A 337 PHE H . 30307 1 337 . 1 1 37 37 PHE HA H 1 5.607 0.015 . . . . . . A 337 PHE HA . 30307 1 338 . 1 1 37 37 PHE HB2 H 1 2.659 0.021 . . . . . . A 337 PHE HB2 . 30307 1 339 . 1 1 37 37 PHE HB3 H 1 2.812 0.006 . . . . . . A 337 PHE HB3 . 30307 1 340 . 1 1 37 37 PHE HD1 H 1 7.076 0.001 . . . . . . A 337 PHE HD1 . 30307 1 341 . 1 1 37 37 PHE HD2 H 1 7.076 0.001 . . . . . . A 337 PHE HD2 . 30307 1 342 . 1 1 37 37 PHE HE1 H 1 7.064 0.002 . . . . . . A 337 PHE HE1 . 30307 1 343 . 1 1 37 37 PHE HE2 H 1 7.064 0.002 . . . . . . A 337 PHE HE2 . 30307 1 344 . 1 1 37 37 PHE CA C 13 55.368 0.041 . . . . . . A 337 PHE CA . 30307 1 345 . 1 1 37 37 PHE CB C 13 44.077 0.027 . . . . . . A 337 PHE CB . 30307 1 346 . 1 1 37 37 PHE CE1 C 13 132.420 0.002 . . . . . . A 337 PHE CE1 . 30307 1 347 . 1 1 37 37 PHE N N 15 123.983 0.027 . . . . . . A 337 PHE N . 30307 1 348 . 1 1 38 38 ILE H H 1 8.953 0.014 . . . . . . A 338 ILE H . 30307 1 349 . 1 1 38 38 ILE HA H 1 4.393 0.023 . . . . . . A 338 ILE HA . 30307 1 350 . 1 1 38 38 ILE HB H 1 2.085 0.012 . . . . . . A 338 ILE HB . 30307 1 351 . 1 1 38 38 ILE HG21 H 1 0.657 0.007 . . . . . . A 338 ILE HG21 . 30307 1 352 . 1 1 38 38 ILE HG22 H 1 0.657 0.007 . . . . . . A 338 ILE HG22 . 30307 1 353 . 1 1 38 38 ILE HG23 H 1 0.657 0.007 . . . . . . A 338 ILE HG23 . 30307 1 354 . 1 1 38 38 ILE HD11 H 1 0.146 0.017 . . . . . . A 338 ILE HD11 . 30307 1 355 . 1 1 38 38 ILE HD12 H 1 0.146 0.017 . . . . . . A 338 ILE HD12 . 30307 1 356 . 1 1 38 38 ILE HD13 H 1 0.146 0.017 . . . . . . A 338 ILE HD13 . 30307 1 357 . 1 1 38 38 ILE CA C 13 62.007 0.274 . . . . . . A 338 ILE CA . 30307 1 358 . 1 1 38 38 ILE CB C 13 36.882 0.070 . . . . . . A 338 ILE CB . 30307 1 359 . 1 1 38 38 ILE CG2 C 13 17.126 0.063 . . . . . . A 338 ILE CG2 . 30307 1 360 . 1 1 38 38 ILE CD1 C 13 13.433 0.016 . . . . . . A 338 ILE CD1 . 30307 1 361 . 1 1 38 38 ILE N N 15 120.464 0.054 . . . . . . A 338 ILE N . 30307 1 362 . 1 1 39 39 SER H H 1 8.725 0.011 . . . . . . A 339 SER H . 30307 1 363 . 1 1 39 39 SER HA H 1 5.025 0.007 . . . . . . A 339 SER HA . 30307 1 364 . 1 1 39 39 SER HB2 H 1 3.590 0.008 . . . . . . A 339 SER HB2 . 30307 1 365 . 1 1 39 39 SER HB3 H 1 4.096 0.004 . . . . . . A 339 SER HB3 . 30307 1 366 . 1 1 39 39 SER C C 13 175.348 0.000 . . . . . . A 339 SER C . 30307 1 367 . 1 1 39 39 SER CA C 13 57.390 0.047 . . . . . . A 339 SER CA . 30307 1 368 . 1 1 39 39 SER CB C 13 65.825 0.015 . . . . . . A 339 SER CB . 30307 1 369 . 1 1 39 39 SER N N 15 121.416 0.142 . . . . . . A 339 SER N . 30307 1 370 . 1 1 40 40 PHE H H 1 7.286 0.023 . . . . . . A 340 PHE H . 30307 1 371 . 1 1 40 40 PHE HA H 1 4.571 0.005 . . . . . . A 340 PHE HA . 30307 1 372 . 1 1 40 40 PHE HB2 H 1 3.504 0.056 . . . . . . A 340 PHE HB2 . 30307 1 373 . 1 1 40 40 PHE HB3 H 1 2.604 0.016 . . . . . . A 340 PHE HB3 . 30307 1 374 . 1 1 40 40 PHE HD1 H 1 7.138 0.023 . . . . . . A 340 PHE HD1 . 30307 1 375 . 1 1 40 40 PHE HD2 H 1 7.138 0.023 . . . . . . A 340 PHE HD2 . 30307 1 376 . 1 1 40 40 PHE HE1 H 1 7.344 0.003 . . . . . . A 340 PHE HE1 . 30307 1 377 . 1 1 40 40 PHE HE2 H 1 7.344 0.003 . . . . . . A 340 PHE HE2 . 30307 1 378 . 1 1 40 40 PHE CA C 13 58.457 0.033 . . . . . . A 340 PHE CA . 30307 1 379 . 1 1 40 40 PHE CB C 13 42.771 0.099 . . . . . . A 340 PHE CB . 30307 1 380 . 1 1 40 40 PHE N N 15 120.978 0.025 . . . . . . A 340 PHE N . 30307 1 381 . 1 1 41 41 AZH N N 15 125.443 0.000 . . . . . . A 341 AZH N . 30307 1 382 . 1 1 41 41 AZH HA H 1 3.095 0.006 . . . . . . A 341 AZH HA . 30307 1 383 . 1 1 41 41 AZH HB1C H 1 1.663 0.010 . . . . . . A 341 AZH HB1C . 30307 1 384 . 1 1 41 41 AZH HB2C H 1 1.663 0.010 . . . . . . A 341 AZH HB2C . 30307 1 385 . 1 1 41 41 AZH HG1C H 1 1.807 0.010 . . . . . . A 341 AZH HG1C . 30307 1 386 . 1 1 41 41 AZH HG2C H 1 1.807 0.010 . . . . . . A 341 AZH HG2C . 30307 1 387 . 1 1 41 41 AZH HN1 H 1 8.161 0.008 . . . . . . A 341 AZH HN1 . 30307 1 388 . 1 1 42 42 LEU H H 1 7.856 0.008 . . . . . . A 342 LEU H . 30307 1 389 . 1 1 42 42 LEU HA H 1 5.233 0.000 . . . . . . A 342 LEU HA . 30307 1 390 . 1 1 42 42 LEU HB2 H 1 1.669 0.014 . . . . . . A 342 LEU HB2 . 30307 1 391 . 1 1 42 42 LEU HB3 H 1 1.669 0.014 . . . . . . A 342 LEU HB3 . 30307 1 392 . 1 1 42 42 LEU HG H 1 1.446 0.010 . . . . . . A 342 LEU HG . 30307 1 393 . 1 1 42 42 LEU HD11 H 1 1.010 0.021 . . . . . . A 342 LEU HD11 . 30307 1 394 . 1 1 42 42 LEU HD12 H 1 1.010 0.021 . . . . . . A 342 LEU HD12 . 30307 1 395 . 1 1 42 42 LEU HD13 H 1 1.010 0.021 . . . . . . A 342 LEU HD13 . 30307 1 396 . 1 1 42 42 LEU HD21 H 1 1.010 0.021 . . . . . . A 342 LEU HD21 . 30307 1 397 . 1 1 42 42 LEU HD22 H 1 1.010 0.021 . . . . . . A 342 LEU HD22 . 30307 1 398 . 1 1 42 42 LEU HD23 H 1 1.010 0.021 . . . . . . A 342 LEU HD23 . 30307 1 399 . 1 1 42 42 LEU C C 13 177.024 0.000 . . . . . . A 342 LEU C . 30307 1 400 . 1 1 42 42 LEU CA C 13 55.309 0.000 . . . . . . A 342 LEU CA . 30307 1 401 . 1 1 42 42 LEU CB C 13 42.606 0.024 . . . . . . A 342 LEU CB . 30307 1 402 . 1 1 42 42 LEU CG C 13 32.241 0.265 . . . . . . A 342 LEU CG . 30307 1 403 . 1 1 42 42 LEU N N 15 125.605 0.038 . . . . . . A 342 LEU N . 30307 1 404 . 1 1 43 43 ALA H H 1 8.807 0.011 . . . . . . A 343 ALA H . 30307 1 405 . 1 1 43 43 ALA HA H 1 4.163 0.022 . . . . . . A 343 ALA HA . 30307 1 406 . 1 1 43 43 ALA HB1 H 1 1.390 0.004 . . . . . . A 343 ALA HB1 . 30307 1 407 . 1 1 43 43 ALA HB2 H 1 1.390 0.004 . . . . . . A 343 ALA HB2 . 30307 1 408 . 1 1 43 43 ALA HB3 H 1 1.390 0.004 . . . . . . A 343 ALA HB3 . 30307 1 409 . 1 1 43 43 ALA C C 13 178.957 0.000 . . . . . . A 343 ALA C . 30307 1 410 . 1 1 43 43 ALA CA C 13 53.532 0.077 . . . . . . A 343 ALA CA . 30307 1 411 . 1 1 43 43 ALA CB C 13 18.106 0.009 . . . . . . A 343 ALA CB . 30307 1 412 . 1 1 43 43 ALA N N 15 132.220 0.079 . . . . . . A 343 ALA N . 30307 1 413 . 1 1 44 44 GLY H H 1 9.826 0.009 . . . . . . A 344 GLY H . 30307 1 414 . 1 1 44 44 GLY HA2 H 1 3.738 0.005 . . . . . . A 344 GLY HA2 . 30307 1 415 . 1 1 44 44 GLY HA3 H 1 4.162 0.016 . . . . . . A 344 GLY HA3 . 30307 1 416 . 1 1 44 44 GLY C C 13 174.592 0.000 . . . . . . A 344 GLY C . 30307 1 417 . 1 1 44 44 GLY CA C 13 45.436 0.010 . . . . . . A 344 GLY CA . 30307 1 418 . 1 1 44 44 GLY N N 15 112.680 0.068 . . . . . . A 344 GLY N . 30307 1 419 . 1 1 45 45 GLY H H 1 7.985 0.011 . . . . . . A 345 GLY H . 30307 1 420 . 1 1 45 45 GLY HA2 H 1 3.786 0.031 . . . . . . A 345 GLY HA2 . 30307 1 421 . 1 1 45 45 GLY HA3 H 1 4.487 0.003 . . . . . . A 345 GLY HA3 . 30307 1 422 . 1 1 45 45 GLY CA C 13 45.024 0.018 . . . . . . A 345 GLY CA . 30307 1 423 . 1 1 45 45 GLY N N 15 107.186 0.052 . . . . . . A 345 GLY N . 30307 1 424 . 1 1 46 46 PRO HA H 1 4.244 0.021 . . . . . . A 346 PRO HA . 30307 1 425 . 1 1 46 46 PRO HB2 H 1 2.539 0.031 . . . . . . A 346 PRO HB2 . 30307 1 426 . 1 1 46 46 PRO HB3 H 1 2.539 0.031 . . . . . . A 346 PRO HB3 . 30307 1 427 . 1 1 46 46 PRO HG2 H 1 1.993 0.040 . . . . . . A 346 PRO HG2 . 30307 1 428 . 1 1 46 46 PRO HG3 H 1 1.993 0.040 . . . . . . A 346 PRO HG3 . 30307 1 429 . 1 1 46 46 PRO HD2 H 1 3.363 0.020 . . . . . . A 346 PRO HD2 . 30307 1 430 . 1 1 46 46 PRO HD3 H 1 3.363 0.020 . . . . . . A 346 PRO HD3 . 30307 1 431 . 1 1 46 46 PRO C C 13 178.742 0.000 . . . . . . A 346 PRO C . 30307 1 432 . 1 1 46 46 PRO CA C 13 65.888 0.225 . . . . . . A 346 PRO CA . 30307 1 433 . 1 1 46 46 PRO CB C 13 32.300 0.099 . . . . . . A 346 PRO CB . 30307 1 434 . 1 1 47 47 ALA H H 1 7.817 0.084 . . . . . . A 347 ALA H . 30307 1 435 . 1 1 47 47 ALA HA H 1 4.216 0.010 . . . . . . A 347 ALA HA . 30307 1 436 . 1 1 47 47 ALA HB1 H 1 1.481 0.010 . . . . . . A 347 ALA HB1 . 30307 1 437 . 1 1 47 47 ALA HB2 H 1 1.481 0.010 . . . . . . A 347 ALA HB2 . 30307 1 438 . 1 1 47 47 ALA HB3 H 1 1.481 0.010 . . . . . . A 347 ALA HB3 . 30307 1 439 . 1 1 47 47 ALA C C 13 179.015 0.000 . . . . . . A 347 ALA C . 30307 1 440 . 1 1 47 47 ALA CA C 13 54.373 0.035 . . . . . . A 347 ALA CA . 30307 1 441 . 1 1 47 47 ALA CB C 13 18.985 0.031 . . . . . . A 347 ALA CB . 30307 1 442 . 1 1 47 47 ALA N N 15 119.908 0.047 . . . . . . A 347 ALA N . 30307 1 443 . 1 1 48 48 ASP H H 1 8.787 0.010 . . . . . . A 348 ASP H . 30307 1 444 . 1 1 48 48 ASP HA H 1 4.412 0.007 . . . . . . A 348 ASP HA . 30307 1 445 . 1 1 48 48 ASP HB2 H 1 2.722 0.010 . . . . . . A 348 ASP HB2 . 30307 1 446 . 1 1 48 48 ASP HB3 H 1 2.767 0.011 . . . . . . A 348 ASP HB3 . 30307 1 447 . 1 1 48 48 ASP C C 13 177.481 0.000 . . . . . . A 348 ASP C . 30307 1 448 . 1 1 48 48 ASP CA C 13 56.298 0.027 . . . . . . A 348 ASP CA . 30307 1 449 . 1 1 48 48 ASP CB C 13 42.892 0.000 . . . . . . A 348 ASP CB . 30307 1 450 . 1 1 48 48 ASP N N 15 121.878 0.073 . . . . . . A 348 ASP N . 30307 1 451 . 1 1 49 49 LEU H H 1 8.341 0.006 . . . . . . A 349 LEU H . 30307 1 452 . 1 1 49 49 LEU HA H 1 4.195 0.005 . . . . . . A 349 LEU HA . 30307 1 453 . 1 1 49 49 LEU HB2 H 1 1.702 0.010 . . . . . . A 349 LEU HB2 . 30307 1 454 . 1 1 49 49 LEU HB3 H 1 1.702 0.010 . . . . . . A 349 LEU HB3 . 30307 1 455 . 1 1 49 49 LEU HG H 1 1.549 0.024 . . . . . . A 349 LEU HG . 30307 1 456 . 1 1 49 49 LEU HD11 H 1 0.867 0.040 . . . . . . A 349 LEU HD11 . 30307 1 457 . 1 1 49 49 LEU HD12 H 1 0.867 0.040 . . . . . . A 349 LEU HD12 . 30307 1 458 . 1 1 49 49 LEU HD13 H 1 0.867 0.040 . . . . . . A 349 LEU HD13 . 30307 1 459 . 1 1 49 49 LEU HD21 H 1 0.867 0.040 . . . . . . A 349 LEU HD21 . 30307 1 460 . 1 1 49 49 LEU HD22 H 1 0.867 0.040 . . . . . . A 349 LEU HD22 . 30307 1 461 . 1 1 49 49 LEU HD23 H 1 0.867 0.040 . . . . . . A 349 LEU HD23 . 30307 1 462 . 1 1 49 49 LEU C C 13 178.964 0.000 . . . . . . A 349 LEU C . 30307 1 463 . 1 1 49 49 LEU CA C 13 56.770 0.045 . . . . . . A 349 LEU CA . 30307 1 464 . 1 1 49 49 LEU CB C 13 42.100 0.011 . . . . . . A 349 LEU CB . 30307 1 465 . 1 1 49 49 LEU N N 15 118.692 0.045 . . . . . . A 349 LEU N . 30307 1 466 . 1 1 50 50 SER H H 1 7.996 0.005 . . . . . . A 350 SER H . 30307 1 467 . 1 1 50 50 SER HA H 1 4.368 0.007 . . . . . . A 350 SER HA . 30307 1 468 . 1 1 50 50 SER HB2 H 1 3.995 0.005 . . . . . . A 350 SER HB2 . 30307 1 469 . 1 1 50 50 SER HB3 H 1 4.078 0.001 . . . . . . A 350 SER HB3 . 30307 1 470 . 1 1 50 50 SER C C 13 175.749 0.000 . . . . . . A 350 SER C . 30307 1 471 . 1 1 50 50 SER CA C 13 60.092 0.023 . . . . . . A 350 SER CA . 30307 1 472 . 1 1 50 50 SER CB C 13 63.681 0.018 . . . . . . A 350 SER CB . 30307 1 473 . 1 1 50 50 SER N N 15 113.984 0.054 . . . . . . A 350 SER N . 30307 1 474 . 1 1 51 51 GLY H H 1 7.712 0.004 . . . . . . A 351 GLY H . 30307 1 475 . 1 1 51 51 GLY HA2 H 1 4.004 0.003 . . . . . . A 351 GLY HA2 . 30307 1 476 . 1 1 51 51 GLY HA3 H 1 4.004 0.003 . . . . . . A 351 GLY HA3 . 30307 1 477 . 1 1 51 51 GLY C C 13 174.254 0.000 . . . . . . A 351 GLY C . 30307 1 478 . 1 1 51 51 GLY CA C 13 46.194 0.018 . . . . . . A 351 GLY CA . 30307 1 479 . 1 1 51 51 GLY N N 15 109.145 0.044 . . . . . . A 351 GLY N . 30307 1 480 . 1 1 52 52 GLU H H 1 8.022 0.008 . . . . . . A 352 GLU H . 30307 1 481 . 1 1 52 52 GLU HA H 1 4.299 0.009 . . . . . . A 352 GLU HA . 30307 1 482 . 1 1 52 52 GLU HB2 H 1 1.710 0.003 . . . . . . A 352 GLU HB2 . 30307 1 483 . 1 1 52 52 GLU HB3 H 1 1.710 0.003 . . . . . . A 352 GLU HB3 . 30307 1 484 . 1 1 52 52 GLU HG2 H 1 2.106 0.011 . . . . . . A 352 GLU HG2 . 30307 1 485 . 1 1 52 52 GLU HG3 H 1 2.242 0.007 . . . . . . A 352 GLU HG3 . 30307 1 486 . 1 1 52 52 GLU C C 13 175.831 0.000 . . . . . . A 352 GLU C . 30307 1 487 . 1 1 52 52 GLU CA C 13 57.278 0.070 . . . . . . A 352 GLU CA . 30307 1 488 . 1 1 52 52 GLU CB C 13 32.539 0.020 . . . . . . A 352 GLU CB . 30307 1 489 . 1 1 52 52 GLU N N 15 117.999 0.052 . . . . . . A 352 GLU N . 30307 1 490 . 1 1 53 53 LEU H H 1 7.718 0.007 . . . . . . A 353 LEU H . 30307 1 491 . 1 1 53 53 LEU HA H 1 4.279 0.007 . . . . . . A 353 LEU HA . 30307 1 492 . 1 1 53 53 LEU HB2 H 1 1.115 0.014 . . . . . . A 353 LEU HB2 . 30307 1 493 . 1 1 53 53 LEU HB3 H 1 1.263 0.006 . . . . . . A 353 LEU HB3 . 30307 1 494 . 1 1 53 53 LEU HG H 1 1.299 0.016 . . . . . . A 353 LEU HG . 30307 1 495 . 1 1 53 53 LEU HD11 H 1 0.460 0.015 . . . . . . A 353 LEU HD11 . 30307 1 496 . 1 1 53 53 LEU HD12 H 1 0.460 0.015 . . . . . . A 353 LEU HD12 . 30307 1 497 . 1 1 53 53 LEU HD13 H 1 0.460 0.015 . . . . . . A 353 LEU HD13 . 30307 1 498 . 1 1 53 53 LEU HD21 H 1 0.460 0.015 . . . . . . A 353 LEU HD21 . 30307 1 499 . 1 1 53 53 LEU HD22 H 1 0.460 0.015 . . . . . . A 353 LEU HD22 . 30307 1 500 . 1 1 53 53 LEU HD23 H 1 0.460 0.015 . . . . . . A 353 LEU HD23 . 30307 1 501 . 1 1 53 53 LEU C C 13 175.377 0.000 . . . . . . A 353 LEU C . 30307 1 502 . 1 1 53 53 LEU CA C 13 53.879 0.052 . . . . . . A 353 LEU CA . 30307 1 503 . 1 1 53 53 LEU CB C 13 45.685 0.111 . . . . . . A 353 LEU CB . 30307 1 504 . 1 1 53 53 LEU N N 15 120.415 0.035 . . . . . . A 353 LEU N . 30307 1 505 . 1 1 54 54 ARG H H 1 9.330 0.006 . . . . . . A 354 ARG H . 30307 1 506 . 1 1 54 54 ARG HA H 1 4.421 0.009 . . . . . . A 354 ARG HA . 30307 1 507 . 1 1 54 54 ARG HB2 H 1 1.568 0.012 . . . . . . A 354 ARG HB2 . 30307 1 508 . 1 1 54 54 ARG HB3 H 1 1.395 0.002 . . . . . . A 354 ARG HB3 . 30307 1 509 . 1 1 54 54 ARG HG2 H 1 1.149 0.010 . . . . . . A 354 ARG HG2 . 30307 1 510 . 1 1 54 54 ARG HG3 H 1 1.149 0.010 . . . . . . A 354 ARG HG3 . 30307 1 511 . 1 1 54 54 ARG C C 13 174.374 0.000 . . . . . . A 354 ARG C . 30307 1 512 . 1 1 54 54 ARG CA C 13 53.923 0.021 . . . . . . A 354 ARG CA . 30307 1 513 . 1 1 54 54 ARG CB C 13 33.722 0.048 . . . . . . A 354 ARG CB . 30307 1 514 . 1 1 54 54 ARG N N 15 120.704 0.051 . . . . . . A 354 ARG N . 30307 1 515 . 1 1 55 55 LYS H H 1 8.146 0.007 . . . . . . A 355 LYS H . 30307 1 516 . 1 1 55 55 LYS HA H 1 3.734 0.005 . . . . . . A 355 LYS HA . 30307 1 517 . 1 1 55 55 LYS HB2 H 1 1.456 0.030 . . . . . . A 355 LYS HB2 . 30307 1 518 . 1 1 55 55 LYS HB3 H 1 1.456 0.030 . . . . . . A 355 LYS HB3 . 30307 1 519 . 1 1 55 55 LYS HG2 H 1 1.320 0.010 . . . . . . A 355 LYS HG2 . 30307 1 520 . 1 1 55 55 LYS HG3 H 1 0.826 0.026 . . . . . . A 355 LYS HG3 . 30307 1 521 . 1 1 55 55 LYS C C 13 177.346 0.000 . . . . . . A 355 LYS C . 30307 1 522 . 1 1 55 55 LYS CA C 13 57.539 0.055 . . . . . . A 355 LYS CA . 30307 1 523 . 1 1 55 55 LYS CB C 13 31.886 0.034 . . . . . . A 355 LYS CB . 30307 1 524 . 1 1 55 55 LYS CG C 13 24.586 0.006 . . . . . . A 355 LYS CG . 30307 1 525 . 1 1 55 55 LYS N N 15 119.725 0.072 . . . . . . A 355 LYS N . 30307 1 526 . 1 1 56 56 GLY H H 1 8.289 0.030 . . . . . . A 356 GLY H . 30307 1 527 . 1 1 56 56 GLY HA2 H 1 2.935 0.006 . . . . . . A 356 GLY HA2 . 30307 1 528 . 1 1 56 56 GLY HA3 H 1 4.030 0.017 . . . . . . A 356 GLY HA3 . 30307 1 529 . 1 1 56 56 GLY C C 13 173.257 0.000 . . . . . . A 356 GLY C . 30307 1 530 . 1 1 56 56 GLY CA C 13 45.162 0.073 . . . . . . A 356 GLY CA . 30307 1 531 . 1 1 56 56 GLY N N 15 114.779 0.049 . . . . . . A 356 GLY N . 30307 1 532 . 1 1 57 57 ASP H H 1 8.031 0.005 . . . . . . A 357 ASP H . 30307 1 533 . 1 1 57 57 ASP HA H 1 5.161 0.029 . . . . . . A 357 ASP HA . 30307 1 534 . 1 1 57 57 ASP HB2 H 1 1.886 0.005 . . . . . . A 357 ASP HB2 . 30307 1 535 . 1 1 57 57 ASP HB3 H 1 2.864 0.014 . . . . . . A 357 ASP HB3 . 30307 1 536 . 1 1 57 57 ASP C C 13 176.285 0.000 . . . . . . A 357 ASP C . 30307 1 537 . 1 1 57 57 ASP CA C 13 55.602 0.059 . . . . . . A 357 ASP CA . 30307 1 538 . 1 1 57 57 ASP CB C 13 42.132 0.017 . . . . . . A 357 ASP CB . 30307 1 539 . 1 1 57 57 ASP N N 15 119.513 0.039 . . . . . . A 357 ASP N . 30307 1 540 . 1 1 58 58 GLN H H 1 9.424 0.003 . . . . . . A 358 GLN H . 30307 1 541 . 1 1 58 58 GLN HA H 1 4.401 0.011 . . . . . . A 358 GLN HA . 30307 1 542 . 1 1 58 58 GLN HB2 H 1 1.494 0.014 . . . . . . A 358 GLN HB2 . 30307 1 543 . 1 1 58 58 GLN HB3 H 1 1.639 0.004 . . . . . . A 358 GLN HB3 . 30307 1 544 . 1 1 58 58 GLN HG2 H 1 1.789 0.018 . . . . . . A 358 GLN HG2 . 30307 1 545 . 1 1 58 58 GLN HG3 H 1 1.789 0.018 . . . . . . A 358 GLN HG3 . 30307 1 546 . 1 1 58 58 GLN C C 13 176.940 0.000 . . . . . . A 358 GLN C . 30307 1 547 . 1 1 58 58 GLN CA C 13 53.914 0.010 . . . . . . A 358 GLN CA . 30307 1 548 . 1 1 58 58 GLN CB C 13 29.174 0.000 . . . . . . A 358 GLN CB . 30307 1 549 . 1 1 58 58 GLN N N 15 123.874 0.029 . . . . . . A 358 GLN N . 30307 1 550 . 1 1 59 59 ILE H H 1 8.612 0.010 . . . . . . A 359 ILE H . 30307 1 551 . 1 1 59 59 ILE HA H 1 3.914 0.006 . . . . . . A 359 ILE HA . 30307 1 552 . 1 1 59 59 ILE HB H 1 1.554 0.014 . . . . . . A 359 ILE HB . 30307 1 553 . 1 1 59 59 ILE HG12 H 1 1.389 0.008 . . . . . . A 359 ILE HG12 . 30307 1 554 . 1 1 59 59 ILE HG13 H 1 1.389 0.008 . . . . . . A 359 ILE HG13 . 30307 1 555 . 1 1 59 59 ILE HG21 H 1 0.589 0.000 . . . . . . A 359 ILE HG21 . 30307 1 556 . 1 1 59 59 ILE HG22 H 1 0.589 0.000 . . . . . . A 359 ILE HG22 . 30307 1 557 . 1 1 59 59 ILE HG23 H 1 0.589 0.000 . . . . . . A 359 ILE HG23 . 30307 1 558 . 1 1 59 59 ILE HD11 H 1 0.670 0.016 . . . . . . A 359 ILE HD11 . 30307 1 559 . 1 1 59 59 ILE HD12 H 1 0.670 0.016 . . . . . . A 359 ILE HD12 . 30307 1 560 . 1 1 59 59 ILE HD13 H 1 0.670 0.016 . . . . . . A 359 ILE HD13 . 30307 1 561 . 1 1 59 59 ILE C C 13 174.615 0.000 . . . . . . A 359 ILE C . 30307 1 562 . 1 1 59 59 ILE CA C 13 61.110 0.048 . . . . . . A 359 ILE CA . 30307 1 563 . 1 1 59 59 ILE CB C 13 37.431 0.028 . . . . . . A 359 ILE CB . 30307 1 564 . 1 1 59 59 ILE N N 15 125.502 0.098 . . . . . . A 359 ILE N . 30307 1 565 . 1 1 60 60 LEU H H 1 9.277 0.006 . . . . . . A 360 LEU H . 30307 1 566 . 1 1 60 60 LEU HA H 1 4.159 0.007 . . . . . . A 360 LEU HA . 30307 1 567 . 1 1 60 60 LEU HB2 H 1 1.570 0.008 . . . . . . A 360 LEU HB2 . 30307 1 568 . 1 1 60 60 LEU HB3 H 1 1.570 0.008 . . . . . . A 360 LEU HB3 . 30307 1 569 . 1 1 60 60 LEU HG H 1 1.342 0.012 . . . . . . A 360 LEU HG . 30307 1 570 . 1 1 60 60 LEU HD11 H 1 0.638 0.023 . . . . . . A 360 LEU HD11 . 30307 1 571 . 1 1 60 60 LEU HD12 H 1 0.638 0.023 . . . . . . A 360 LEU HD12 . 30307 1 572 . 1 1 60 60 LEU HD13 H 1 0.638 0.023 . . . . . . A 360 LEU HD13 . 30307 1 573 . 1 1 60 60 LEU HD21 H 1 0.817 0.007 . . . . . . A 360 LEU HD21 . 30307 1 574 . 1 1 60 60 LEU HD22 H 1 0.817 0.007 . . . . . . A 360 LEU HD22 . 30307 1 575 . 1 1 60 60 LEU HD23 H 1 0.817 0.007 . . . . . . A 360 LEU HD23 . 30307 1 576 . 1 1 60 60 LEU C C 13 177.901 0.000 . . . . . . A 360 LEU C . 30307 1 577 . 1 1 60 60 LEU CA C 13 56.417 0.018 . . . . . . A 360 LEU CA . 30307 1 578 . 1 1 60 60 LEU CB C 13 41.326 0.007 . . . . . . A 360 LEU CB . 30307 1 579 . 1 1 60 60 LEU N N 15 128.374 0.072 . . . . . . A 360 LEU N . 30307 1 580 . 1 1 61 61 SER H H 1 7.622 0.014 . . . . . . A 361 SER H . 30307 1 581 . 1 1 61 61 SER HA H 1 5.173 0.004 . . . . . . A 361 SER HA . 30307 1 582 . 1 1 61 61 SER HB2 H 1 3.342 0.009 . . . . . . A 361 SER HB2 . 30307 1 583 . 1 1 61 61 SER HB3 H 1 3.772 0.005 . . . . . . A 361 SER HB3 . 30307 1 584 . 1 1 61 61 SER C C 13 173.109 0.000 . . . . . . A 361 SER C . 30307 1 585 . 1 1 61 61 SER CA C 13 57.165 0.026 . . . . . . A 361 SER CA . 30307 1 586 . 1 1 61 61 SER CB C 13 65.284 0.018 . . . . . . A 361 SER CB . 30307 1 587 . 1 1 61 61 SER N N 15 108.968 0.041 . . . . . . A 361 SER N . 30307 1 588 . 1 1 62 62 VAL H H 1 8.037 0.005 . . . . . . A 362 VAL H . 30307 1 589 . 1 1 62 62 VAL HA H 1 4.633 0.053 . . . . . . A 362 VAL HA . 30307 1 590 . 1 1 62 62 VAL HB H 1 1.683 0.006 . . . . . . A 362 VAL HB . 30307 1 591 . 1 1 62 62 VAL HG11 H 1 0.767 0.011 . . . . . . A 362 VAL HG11 . 30307 1 592 . 1 1 62 62 VAL HG12 H 1 0.767 0.011 . . . . . . A 362 VAL HG12 . 30307 1 593 . 1 1 62 62 VAL HG13 H 1 0.767 0.011 . . . . . . A 362 VAL HG13 . 30307 1 594 . 1 1 62 62 VAL C C 13 174.544 0.000 . . . . . . A 362 VAL C . 30307 1 595 . 1 1 62 62 VAL CA C 13 60.352 0.034 . . . . . . A 362 VAL CA . 30307 1 596 . 1 1 62 62 VAL CB C 13 35.001 0.029 . . . . . . A 362 VAL CB . 30307 1 597 . 1 1 62 62 VAL CG1 C 13 20.933 0.010 . . . . . . A 362 VAL CG1 . 30307 1 598 . 1 1 62 62 VAL N N 15 118.698 0.027 . . . . . . A 362 VAL N . 30307 1 599 . 1 1 63 63 ASN H H 1 9.917 0.012 . . . . . . A 363 ASN H . 30307 1 600 . 1 1 63 63 ASN HA H 1 4.422 0.004 . . . . . . A 363 ASN HA . 30307 1 601 . 1 1 63 63 ASN HB2 H 1 2.976 0.007 . . . . . . A 363 ASN HB2 . 30307 1 602 . 1 1 63 63 ASN HB3 H 1 3.243 0.005 . . . . . . A 363 ASN HB3 . 30307 1 603 . 1 1 63 63 ASN C C 13 177.236 0.000 . . . . . . A 363 ASN C . 30307 1 604 . 1 1 63 63 ASN CA C 13 54.163 0.031 . . . . . . A 363 ASN CA . 30307 1 605 . 1 1 63 63 ASN CB C 13 36.257 0.018 . . . . . . A 363 ASN CB . 30307 1 606 . 1 1 63 63 ASN N N 15 129.048 0.041 . . . . . . A 363 ASN N . 30307 1 607 . 1 1 64 64 GLY H H 1 8.535 0.004 . . . . . . A 364 GLY H . 30307 1 608 . 1 1 64 64 GLY HA2 H 1 3.538 0.003 . . . . . . A 364 GLY HA2 . 30307 1 609 . 1 1 64 64 GLY HA3 H 1 4.156 0.005 . . . . . . A 364 GLY HA3 . 30307 1 610 . 1 1 64 64 GLY C C 13 173.967 0.000 . . . . . . A 364 GLY C . 30307 1 611 . 1 1 64 64 GLY CA C 13 45.326 0.018 . . . . . . A 364 GLY CA . 30307 1 612 . 1 1 64 64 GLY N N 15 102.697 0.052 . . . . . . A 364 GLY N . 30307 1 613 . 1 1 65 65 VAL H H 1 8.268 0.006 . . . . . . A 365 VAL H . 30307 1 614 . 1 1 65 65 VAL HA H 1 3.906 0.003 . . . . . . A 365 VAL HA . 30307 1 615 . 1 1 65 65 VAL HB H 1 2.232 0.003 . . . . . . A 365 VAL HB . 30307 1 616 . 1 1 65 65 VAL HG11 H 1 0.821 0.004 . . . . . . A 365 VAL HG11 . 30307 1 617 . 1 1 65 65 VAL HG12 H 1 0.821 0.004 . . . . . . A 365 VAL HG12 . 30307 1 618 . 1 1 65 65 VAL HG13 H 1 0.821 0.004 . . . . . . A 365 VAL HG13 . 30307 1 619 . 1 1 65 65 VAL HG21 H 1 0.974 0.006 . . . . . . A 365 VAL HG21 . 30307 1 620 . 1 1 65 65 VAL HG22 H 1 0.974 0.006 . . . . . . A 365 VAL HG22 . 30307 1 621 . 1 1 65 65 VAL HG23 H 1 0.974 0.006 . . . . . . A 365 VAL HG23 . 30307 1 622 . 1 1 65 65 VAL C C 13 175.230 0.000 . . . . . . A 365 VAL C . 30307 1 623 . 1 1 65 65 VAL CA C 13 62.773 0.031 . . . . . . A 365 VAL CA . 30307 1 624 . 1 1 65 65 VAL CB C 13 31.729 0.028 . . . . . . A 365 VAL CB . 30307 1 625 . 1 1 65 65 VAL CG1 C 13 20.753 0.021 . . . . . . A 365 VAL CG1 . 30307 1 626 . 1 1 65 65 VAL CG2 C 13 21.305 0.012 . . . . . . A 365 VAL CG2 . 30307 1 627 . 1 1 65 65 VAL N N 15 124.353 0.055 . . . . . . A 365 VAL N . 30307 1 628 . 1 1 66 66 ASP H H 1 8.575 0.006 . . . . . . A 366 ASP H . 30307 1 629 . 1 1 66 66 ASP HA H 1 4.359 0.005 . . . . . . A 366 ASP HA . 30307 1 630 . 1 1 66 66 ASP HB2 H 1 2.814 0.020 . . . . . . A 366 ASP HB2 . 30307 1 631 . 1 1 66 66 ASP HB3 H 1 2.762 0.016 . . . . . . A 366 ASP HB3 . 30307 1 632 . 1 1 66 66 ASP C C 13 176.897 0.000 . . . . . . A 366 ASP C . 30307 1 633 . 1 1 66 66 ASP CA C 13 55.176 0.031 . . . . . . A 366 ASP CA . 30307 1 634 . 1 1 66 66 ASP CB C 13 41.576 0.012 . . . . . . A 366 ASP CB . 30307 1 635 . 1 1 66 66 ASP N N 15 127.614 0.046 . . . . . . A 366 ASP N . 30307 1 636 . 1 1 67 67 LEU H H 1 8.898 0.009 . . . . . . A 367 LEU H . 30307 1 637 . 1 1 67 67 LEU HA H 1 4.657 0.007 . . . . . . A 367 LEU HA . 30307 1 638 . 1 1 67 67 LEU HB2 H 1 1.711 0.004 . . . . . . A 367 LEU HB2 . 30307 1 639 . 1 1 67 67 LEU HB3 H 1 1.239 0.009 . . . . . . A 367 LEU HB3 . 30307 1 640 . 1 1 67 67 LEU HD11 H 1 0.630 0.015 . . . . . . A 367 LEU HD11 . 30307 1 641 . 1 1 67 67 LEU HD12 H 1 0.630 0.015 . . . . . . A 367 LEU HD12 . 30307 1 642 . 1 1 67 67 LEU HD13 H 1 0.630 0.015 . . . . . . A 367 LEU HD13 . 30307 1 643 . 1 1 67 67 LEU HD21 H 1 0.693 0.012 . . . . . . A 367 LEU HD21 . 30307 1 644 . 1 1 67 67 LEU HD22 H 1 0.693 0.012 . . . . . . A 367 LEU HD22 . 30307 1 645 . 1 1 67 67 LEU HD23 H 1 0.693 0.012 . . . . . . A 367 LEU HD23 . 30307 1 646 . 1 1 67 67 LEU C C 13 179.244 0.000 . . . . . . A 367 LEU C . 30307 1 647 . 1 1 67 67 LEU CA C 13 53.367 0.033 . . . . . . A 367 LEU CA . 30307 1 648 . 1 1 67 67 LEU CB C 13 42.987 0.015 . . . . . . A 367 LEU CB . 30307 1 649 . 1 1 67 67 LEU CD1 C 13 23.047 0.017 . . . . . . A 367 LEU CD1 . 30307 1 650 . 1 1 67 67 LEU CD2 C 13 26.225 0.010 . . . . . . A 367 LEU CD2 . 30307 1 651 . 1 1 67 67 LEU N N 15 127.631 0.040 . . . . . . A 367 LEU N . 30307 1 652 . 1 1 68 68 ARG H H 1 8.791 0.007 . . . . . . A 368 ARG H . 30307 1 653 . 1 1 68 68 ARG HA H 1 3.917 0.027 . . . . . . A 368 ARG HA . 30307 1 654 . 1 1 68 68 ARG HB2 H 1 1.981 0.033 . . . . . . A 368 ARG HB2 . 30307 1 655 . 1 1 68 68 ARG HB3 H 1 1.981 0.033 . . . . . . A 368 ARG HB3 . 30307 1 656 . 1 1 68 68 ARG HG2 H 1 1.605 0.005 . . . . . . A 368 ARG HG2 . 30307 1 657 . 1 1 68 68 ARG HG3 H 1 1.777 0.007 . . . . . . A 368 ARG HG3 . 30307 1 658 . 1 1 68 68 ARG HD2 H 1 3.256 0.004 . . . . . . A 368 ARG HD2 . 30307 1 659 . 1 1 68 68 ARG HD3 H 1 3.256 0.004 . . . . . . A 368 ARG HD3 . 30307 1 660 . 1 1 68 68 ARG C C 13 177.196 0.000 . . . . . . A 368 ARG C . 30307 1 661 . 1 1 68 68 ARG CA C 13 61.133 0.072 . . . . . . A 368 ARG CA . 30307 1 662 . 1 1 68 68 ARG CB C 13 30.076 0.001 . . . . . . A 368 ARG CB . 30307 1 663 . 1 1 68 68 ARG CG C 13 28.782 0.000 . . . . . . A 368 ARG CG . 30307 1 664 . 1 1 68 68 ARG N N 15 124.966 0.051 . . . . . . A 368 ARG N . 30307 1 665 . 1 1 69 69 ASN H H 1 8.512 0.006 . . . . . . A 369 ASN H . 30307 1 666 . 1 1 69 69 ASN HA H 1 4.997 0.009 . . . . . . A 369 ASN HA . 30307 1 667 . 1 1 69 69 ASN HB2 H 1 2.962 0.002 . . . . . . A 369 ASN HB2 . 30307 1 668 . 1 1 69 69 ASN HB3 H 1 2.461 0.004 . . . . . . A 369 ASN HB3 . 30307 1 669 . 1 1 69 69 ASN C C 13 174.607 0.000 . . . . . . A 369 ASN C . 30307 1 670 . 1 1 69 69 ASN CA C 13 51.834 0.026 . . . . . . A 369 ASN CA . 30307 1 671 . 1 1 69 69 ASN CB C 13 39.464 0.009 . . . . . . A 369 ASN CB . 30307 1 672 . 1 1 69 69 ASN N N 15 113.998 0.051 . . . . . . A 369 ASN N . 30307 1 673 . 1 1 70 70 ALA H H 1 6.839 0.009 . . . . . . A 370 ALA H . 30307 1 674 . 1 1 70 70 ALA HA H 1 4.399 0.002 . . . . . . A 370 ALA HA . 30307 1 675 . 1 1 70 70 ALA HB1 H 1 1.418 0.004 . . . . . . A 370 ALA HB1 . 30307 1 676 . 1 1 70 70 ALA HB2 H 1 1.418 0.004 . . . . . . A 370 ALA HB2 . 30307 1 677 . 1 1 70 70 ALA HB3 H 1 1.418 0.004 . . . . . . A 370 ALA HB3 . 30307 1 678 . 1 1 70 70 ALA C C 13 177.065 0.000 . . . . . . A 370 ALA C . 30307 1 679 . 1 1 70 70 ALA CA C 13 52.080 0.020 . . . . . . A 370 ALA CA . 30307 1 680 . 1 1 70 70 ALA CB C 13 21.025 0.010 . . . . . . A 370 ALA CB . 30307 1 681 . 1 1 70 70 ALA N N 15 122.270 0.059 . . . . . . A 370 ALA N . 30307 1 682 . 1 1 71 71 SER H H 1 8.257 0.005 . . . . . . A 371 SER H . 30307 1 683 . 1 1 71 71 SER HA H 1 5.011 0.015 . . . . . . A 371 SER HA . 30307 1 684 . 1 1 71 71 SER HB2 H 1 4.063 0.013 . . . . . . A 371 SER HB2 . 30307 1 685 . 1 1 71 71 SER HB3 H 1 4.474 0.011 . . . . . . A 371 SER HB3 . 30307 1 686 . 1 1 71 71 SER C C 13 175.417 0.000 . . . . . . A 371 SER C . 30307 1 687 . 1 1 71 71 SER CA C 13 56.541 0.025 . . . . . . A 371 SER CA . 30307 1 688 . 1 1 71 71 SER CB C 13 65.640 0.015 . . . . . . A 371 SER CB . 30307 1 689 . 1 1 71 71 SER N N 15 114.191 0.042 . . . . . . A 371 SER N . 30307 1 690 . 1 1 72 72 HIS H H 1 9.023 0.006 . . . . . . A 372 HIS H . 30307 1 691 . 1 1 72 72 HIS HA H 1 3.870 0.006 . . . . . . A 372 HIS HA . 30307 1 692 . 1 1 72 72 HIS HB2 H 1 3.174 0.009 . . . . . . A 372 HIS HB2 . 30307 1 693 . 1 1 72 72 HIS HB3 H 1 3.436 0.009 . . . . . . A 372 HIS HB3 . 30307 1 694 . 1 1 72 72 HIS C C 13 177.199 0.000 . . . . . . A 372 HIS C . 30307 1 695 . 1 1 72 72 HIS CA C 13 61.267 0.034 . . . . . . A 372 HIS CA . 30307 1 696 . 1 1 72 72 HIS CB C 13 29.670 0.032 . . . . . . A 372 HIS CB . 30307 1 697 . 1 1 72 72 HIS N N 15 121.379 0.044 . . . . . . A 372 HIS N . 30307 1 698 . 1 1 73 73 GLU H H 1 8.692 0.006 . . . . . . A 373 GLU H . 30307 1 699 . 1 1 73 73 GLU HA H 1 4.070 0.004 . . . . . . A 373 GLU HA . 30307 1 700 . 1 1 73 73 GLU HB2 H 1 1.936 0.005 . . . . . . A 373 GLU HB2 . 30307 1 701 . 1 1 73 73 GLU HB3 H 1 2.106 0.007 . . . . . . A 373 GLU HB3 . 30307 1 702 . 1 1 73 73 GLU HG2 H 1 2.304 0.013 . . . . . . A 373 GLU HG2 . 30307 1 703 . 1 1 73 73 GLU HG3 H 1 2.304 0.013 . . . . . . A 373 GLU HG3 . 30307 1 704 . 1 1 73 73 GLU C C 13 178.930 0.000 . . . . . . A 373 GLU C . 30307 1 705 . 1 1 73 73 GLU CA C 13 59.734 0.023 . . . . . . A 373 GLU CA . 30307 1 706 . 1 1 73 73 GLU CB C 13 29.694 0.010 . . . . . . A 373 GLU CB . 30307 1 707 . 1 1 73 73 GLU N N 15 117.515 0.049 . . . . . . A 373 GLU N . 30307 1 708 . 1 1 74 74 GLN H H 1 7.732 0.007 . . . . . . A 374 GLN H . 30307 1 709 . 1 1 74 74 GLN HA H 1 4.046 0.048 . . . . . . A 374 GLN HA . 30307 1 710 . 1 1 74 74 GLN HB2 H 1 1.936 0.003 . . . . . . A 374 GLN HB2 . 30307 1 711 . 1 1 74 74 GLN HB3 H 1 2.256 0.113 . . . . . . A 374 GLN HB3 . 30307 1 712 . 1 1 74 74 GLN HG2 H 1 2.259 0.000 . . . . . . A 374 GLN HG2 . 30307 1 713 . 1 1 74 74 GLN HG3 H 1 2.476 0.023 . . . . . . A 374 GLN HG3 . 30307 1 714 . 1 1 74 74 GLN C C 13 179.387 0.000 . . . . . . A 374 GLN C . 30307 1 715 . 1 1 74 74 GLN CA C 13 58.724 0.000 . . . . . . A 374 GLN CA . 30307 1 716 . 1 1 74 74 GLN CB C 13 28.745 0.008 . . . . . . A 374 GLN CB . 30307 1 717 . 1 1 74 74 GLN N N 15 117.495 0.060 . . . . . . A 374 GLN N . 30307 1 718 . 1 1 75 75 ALA H H 1 8.398 0.006 . . . . . . A 375 ALA H . 30307 1 719 . 1 1 75 75 ALA HA H 1 3.963 0.014 . . . . . . A 375 ALA HA . 30307 1 720 . 1 1 75 75 ALA HB1 H 1 1.324 0.038 . . . . . . A 375 ALA HB1 . 30307 1 721 . 1 1 75 75 ALA HB2 H 1 1.324 0.038 . . . . . . A 375 ALA HB2 . 30307 1 722 . 1 1 75 75 ALA HB3 H 1 1.324 0.038 . . . . . . A 375 ALA HB3 . 30307 1 723 . 1 1 75 75 ALA C C 13 178.012 0.000 . . . . . . A 375 ALA C . 30307 1 724 . 1 1 75 75 ALA CA C 13 54.866 0.006 . . . . . . A 375 ALA CA . 30307 1 725 . 1 1 75 75 ALA CB C 13 19.483 0.019 . . . . . . A 375 ALA CB . 30307 1 726 . 1 1 75 75 ALA N N 15 122.350 0.033 . . . . . . A 375 ALA N . 30307 1 727 . 1 1 76 76 ALA H H 1 8.654 0.004 . . . . . . A 376 ALA H . 30307 1 728 . 1 1 76 76 ALA HA H 1 3.931 0.006 . . . . . . A 376 ALA HA . 30307 1 729 . 1 1 76 76 ALA HB1 H 1 1.431 0.009 . . . . . . A 376 ALA HB1 . 30307 1 730 . 1 1 76 76 ALA HB2 H 1 1.431 0.009 . . . . . . A 376 ALA HB2 . 30307 1 731 . 1 1 76 76 ALA HB3 H 1 1.431 0.009 . . . . . . A 376 ALA HB3 . 30307 1 732 . 1 1 76 76 ALA C C 13 181.681 0.000 . . . . . . A 376 ALA C . 30307 1 733 . 1 1 76 76 ALA CA C 13 55.476 0.031 . . . . . . A 376 ALA CA . 30307 1 734 . 1 1 76 76 ALA CB C 13 17.760 0.021 . . . . . . A 376 ALA CB . 30307 1 735 . 1 1 76 76 ALA N N 15 120.308 0.050 . . . . . . A 376 ALA N . 30307 1 736 . 1 1 77 77 ILE H H 1 8.086 0.008 . . . . . . A 377 ILE H . 30307 1 737 . 1 1 77 77 ILE HA H 1 3.665 0.004 . . . . . . A 377 ILE HA . 30307 1 738 . 1 1 77 77 ILE HB H 1 1.835 0.034 . . . . . . A 377 ILE HB . 30307 1 739 . 1 1 77 77 ILE HG12 H 1 1.765 0.011 . . . . . . A 377 ILE HG12 . 30307 1 740 . 1 1 77 77 ILE HG13 H 1 1.765 0.011 . . . . . . A 377 ILE HG13 . 30307 1 741 . 1 1 77 77 ILE HG21 H 1 1.152 0.005 . . . . . . A 377 ILE HG21 . 30307 1 742 . 1 1 77 77 ILE HG22 H 1 1.152 0.005 . . . . . . A 377 ILE HG22 . 30307 1 743 . 1 1 77 77 ILE HG23 H 1 1.152 0.005 . . . . . . A 377 ILE HG23 . 30307 1 744 . 1 1 77 77 ILE HD11 H 1 0.895 0.015 . . . . . . A 377 ILE HD11 . 30307 1 745 . 1 1 77 77 ILE HD12 H 1 0.895 0.015 . . . . . . A 377 ILE HD12 . 30307 1 746 . 1 1 77 77 ILE HD13 H 1 0.895 0.015 . . . . . . A 377 ILE HD13 . 30307 1 747 . 1 1 77 77 ILE C C 13 177.522 0.000 . . . . . . A 377 ILE C . 30307 1 748 . 1 1 77 77 ILE CA C 13 64.796 0.043 . . . . . . A 377 ILE CA . 30307 1 749 . 1 1 77 77 ILE CB C 13 38.184 0.017 . . . . . . A 377 ILE CB . 30307 1 750 . 1 1 77 77 ILE CD1 C 13 17.518 0.015 . . . . . . A 377 ILE CD1 . 30307 1 751 . 1 1 77 77 ILE N N 15 119.948 0.062 . . . . . . A 377 ILE N . 30307 1 752 . 1 1 78 78 ALA H H 1 7.886 0.012 . . . . . . A 378 ALA H . 30307 1 753 . 1 1 78 78 ALA HA H 1 4.091 0.009 . . . . . . A 378 ALA HA . 30307 1 754 . 1 1 78 78 ALA HB1 H 1 1.434 0.011 . . . . . . A 378 ALA HB1 . 30307 1 755 . 1 1 78 78 ALA HB2 H 1 1.434 0.011 . . . . . . A 378 ALA HB2 . 30307 1 756 . 1 1 78 78 ALA HB3 H 1 1.434 0.011 . . . . . . A 378 ALA HB3 . 30307 1 757 . 1 1 78 78 ALA C C 13 181.165 0.000 . . . . . . A 378 ALA C . 30307 1 758 . 1 1 78 78 ALA CA C 13 55.088 0.025 . . . . . . A 378 ALA CA . 30307 1 759 . 1 1 78 78 ALA CB C 13 17.746 0.043 . . . . . . A 378 ALA CB . 30307 1 760 . 1 1 78 78 ALA N N 15 122.809 0.040 . . . . . . A 378 ALA N . 30307 1 761 . 1 1 79 79 LEU H H 1 8.273 0.056 . . . . . . A 379 LEU H . 30307 1 762 . 1 1 79 79 LEU HA H 1 3.869 0.010 . . . . . . A 379 LEU HA . 30307 1 763 . 1 1 79 79 LEU HB2 H 1 1.329 0.007 . . . . . . A 379 LEU HB2 . 30307 1 764 . 1 1 79 79 LEU HB3 H 1 1.890 0.006 . . . . . . A 379 LEU HB3 . 30307 1 765 . 1 1 79 79 LEU HG H 1 1.724 0.005 . . . . . . A 379 LEU HG . 30307 1 766 . 1 1 79 79 LEU HD11 H 1 0.819 0.008 . . . . . . A 379 LEU HD11 . 30307 1 767 . 1 1 79 79 LEU HD12 H 1 0.819 0.008 . . . . . . A 379 LEU HD12 . 30307 1 768 . 1 1 79 79 LEU HD13 H 1 0.819 0.008 . . . . . . A 379 LEU HD13 . 30307 1 769 . 1 1 79 79 LEU C C 13 178.863 0.000 . . . . . . A 379 LEU C . 30307 1 770 . 1 1 79 79 LEU CA C 13 58.131 0.037 . . . . . . A 379 LEU CA . 30307 1 771 . 1 1 79 79 LEU CB C 13 41.533 0.029 . . . . . . A 379 LEU CB . 30307 1 772 . 1 1 79 79 LEU CG C 13 27.540 0.019 . . . . . . A 379 LEU CG . 30307 1 773 . 1 1 79 79 LEU CD1 C 13 24.028 0.013 . . . . . . A 379 LEU CD1 . 30307 1 774 . 1 1 79 79 LEU N N 15 116.206 0.056 . . . . . . A 379 LEU N . 30307 1 775 . 1 1 80 80 LYS H H 1 8.015 0.005 . . . . . . A 380 LYS H . 30307 1 776 . 1 1 80 80 LYS HA H 1 4.062 0.005 . . . . . . A 380 LYS HA . 30307 1 777 . 1 1 80 80 LYS HB2 H 1 1.926 0.005 . . . . . . A 380 LYS HB2 . 30307 1 778 . 1 1 80 80 LYS HB3 H 1 1.926 0.005 . . . . . . A 380 LYS HB3 . 30307 1 779 . 1 1 80 80 LYS HG2 H 1 1.456 0.006 . . . . . . A 380 LYS HG2 . 30307 1 780 . 1 1 80 80 LYS HG3 H 1 1.456 0.006 . . . . . . A 380 LYS HG3 . 30307 1 781 . 1 1 80 80 LYS HD2 H 1 1.672 0.016 . . . . . . A 380 LYS HD2 . 30307 1 782 . 1 1 80 80 LYS HD3 H 1 1.672 0.016 . . . . . . A 380 LYS HD3 . 30307 1 783 . 1 1 80 80 LYS HE2 H 1 2.970 0.005 . . . . . . A 380 LYS HE2 . 30307 1 784 . 1 1 80 80 LYS HE3 H 1 2.970 0.005 . . . . . . A 380 LYS HE3 . 30307 1 785 . 1 1 80 80 LYS C C 13 178.551 0.000 . . . . . . A 380 LYS C . 30307 1 786 . 1 1 80 80 LYS CA C 13 59.411 0.042 . . . . . . A 380 LYS CA . 30307 1 787 . 1 1 80 80 LYS CB C 13 32.526 0.029 . . . . . . A 380 LYS CB . 30307 1 788 . 1 1 80 80 LYS CG C 13 24.713 0.014 . . . . . . A 380 LYS CG . 30307 1 789 . 1 1 80 80 LYS CD C 13 29.627 0.003 . . . . . . A 380 LYS CD . 30307 1 790 . 1 1 80 80 LYS N N 15 121.303 0.051 . . . . . . A 380 LYS N . 30307 1 791 . 1 1 81 81 ASN H H 1 8.011 0.005 . . . . . . A 381 ASN H . 30307 1 792 . 1 1 81 81 ASN HA H 1 4.729 0.011 . . . . . . A 381 ASN HA . 30307 1 793 . 1 1 81 81 ASN HB2 H 1 2.749 0.003 . . . . . . A 381 ASN HB2 . 30307 1 794 . 1 1 81 81 ASN HB3 H 1 3.023 0.016 . . . . . . A 381 ASN HB3 . 30307 1 795 . 1 1 81 81 ASN C C 13 175.792 0.000 . . . . . . A 381 ASN C . 30307 1 796 . 1 1 81 81 ASN CA C 13 53.470 0.020 . . . . . . A 381 ASN CA . 30307 1 797 . 1 1 81 81 ASN CB C 13 38.471 0.029 . . . . . . A 381 ASN CB . 30307 1 798 . 1 1 81 81 ASN N N 15 115.464 0.043 . . . . . . A 381 ASN N . 30307 1 799 . 1 1 82 82 ALA H H 1 7.020 0.004 . . . . . . A 382 ALA H . 30307 1 800 . 1 1 82 82 ALA HA H 1 4.195 0.003 . . . . . . A 382 ALA HA . 30307 1 801 . 1 1 82 82 ALA HB1 H 1 1.482 0.015 . . . . . . A 382 ALA HB1 . 30307 1 802 . 1 1 82 82 ALA HB2 H 1 1.482 0.015 . . . . . . A 382 ALA HB2 . 30307 1 803 . 1 1 82 82 ALA HB3 H 1 1.482 0.015 . . . . . . A 382 ALA HB3 . 30307 1 804 . 1 1 82 82 ALA C C 13 176.310 0.000 . . . . . . A 382 ALA C . 30307 1 805 . 1 1 82 82 ALA CA C 13 53.550 0.024 . . . . . . A 382 ALA CA . 30307 1 806 . 1 1 82 82 ALA CB C 13 20.287 0.044 . . . . . . A 382 ALA CB . 30307 1 807 . 1 1 82 82 ALA N N 15 120.705 0.053 . . . . . . A 382 ALA N . 30307 1 808 . 1 1 83 83 GLY H H 1 7.994 0.009 . . . . . . A 383 GLY H . 30307 1 809 . 1 1 83 83 GLY HA2 H 1 3.770 0.004 . . . . . . A 383 GLY HA2 . 30307 1 810 . 1 1 83 83 GLY HA3 H 1 4.220 0.007 . . . . . . A 383 GLY HA3 . 30307 1 811 . 1 1 83 83 GLY C C 13 174.978 0.000 . . . . . . A 383 GLY C . 30307 1 812 . 1 1 83 83 GLY CA C 13 44.408 0.017 . . . . . . A 383 GLY CA . 30307 1 813 . 1 1 83 83 GLY N N 15 104.231 0.090 . . . . . . A 383 GLY N . 30307 1 814 . 1 1 84 84 GLN H H 1 8.671 0.008 . . . . . . A 384 GLN H . 30307 1 815 . 1 1 84 84 GLN HA H 1 4.124 0.007 . . . . . . A 384 GLN HA . 30307 1 816 . 1 1 84 84 GLN HB2 H 1 2.127 0.016 . . . . . . A 384 GLN HB2 . 30307 1 817 . 1 1 84 84 GLN HB3 H 1 2.226 0.016 . . . . . . A 384 GLN HB3 . 30307 1 818 . 1 1 84 84 GLN HG2 H 1 2.427 0.011 . . . . . . A 384 GLN HG2 . 30307 1 819 . 1 1 84 84 GLN HG3 H 1 2.536 0.005 . . . . . . A 384 GLN HG3 . 30307 1 820 . 1 1 84 84 GLN C C 13 176.046 0.000 . . . . . . A 384 GLN C . 30307 1 821 . 1 1 84 84 GLN CA C 13 58.317 0.029 . . . . . . A 384 GLN CA . 30307 1 822 . 1 1 84 84 GLN CB C 13 29.657 0.030 . . . . . . A 384 GLN CB . 30307 1 823 . 1 1 84 84 GLN CG C 13 34.277 0.002 . . . . . . A 384 GLN CG . 30307 1 824 . 1 1 84 84 GLN N N 15 118.681 0.061 . . . . . . A 384 GLN N . 30307 1 825 . 1 1 85 85 THR H H 1 7.852 0.013 . . . . . . A 385 THR H . 30307 1 826 . 1 1 85 85 THR HA H 1 4.674 0.027 . . . . . . A 385 THR HA . 30307 1 827 . 1 1 85 85 THR HB H 1 3.907 0.017 . . . . . . A 385 THR HB . 30307 1 828 . 1 1 85 85 THR HG21 H 1 0.924 0.018 . . . . . . A 385 THR HG21 . 30307 1 829 . 1 1 85 85 THR HG22 H 1 0.924 0.018 . . . . . . A 385 THR HG22 . 30307 1 830 . 1 1 85 85 THR HG23 H 1 0.924 0.018 . . . . . . A 385 THR HG23 . 30307 1 831 . 1 1 85 85 THR C C 13 173.581 0.000 . . . . . . A 385 THR C . 30307 1 832 . 1 1 85 85 THR CA C 13 62.344 0.029 . . . . . . A 385 THR CA . 30307 1 833 . 1 1 85 85 THR CB C 13 69.689 0.003 . . . . . . A 385 THR CB . 30307 1 834 . 1 1 85 85 THR CG2 C 13 22.158 0.003 . . . . . . A 385 THR CG2 . 30307 1 835 . 1 1 85 85 THR N N 15 115.080 0.064 . . . . . . A 385 THR N . 30307 1 836 . 1 1 86 86 VAL H H 1 9.184 0.011 . . . . . . A 386 VAL H . 30307 1 837 . 1 1 86 86 VAL HA H 1 4.449 0.007 . . . . . . A 386 VAL HA . 30307 1 838 . 1 1 86 86 VAL HB H 1 1.982 0.005 . . . . . . A 386 VAL HB . 30307 1 839 . 1 1 86 86 VAL HG11 H 1 0.782 0.005 . . . . . . A 386 VAL HG11 . 30307 1 840 . 1 1 86 86 VAL HG12 H 1 0.782 0.005 . . . . . . A 386 VAL HG12 . 30307 1 841 . 1 1 86 86 VAL HG13 H 1 0.782 0.005 . . . . . . A 386 VAL HG13 . 30307 1 842 . 1 1 86 86 VAL HG21 H 1 0.782 0.005 . . . . . . A 386 VAL HG21 . 30307 1 843 . 1 1 86 86 VAL HG22 H 1 0.782 0.005 . . . . . . A 386 VAL HG22 . 30307 1 844 . 1 1 86 86 VAL HG23 H 1 0.782 0.005 . . . . . . A 386 VAL HG23 . 30307 1 845 . 1 1 86 86 VAL C C 13 174.062 0.000 . . . . . . A 386 VAL C . 30307 1 846 . 1 1 86 86 VAL CA C 13 61.581 0.065 . . . . . . A 386 VAL CA . 30307 1 847 . 1 1 86 86 VAL CB C 13 33.758 0.038 . . . . . . A 386 VAL CB . 30307 1 848 . 1 1 86 86 VAL CG1 C 13 22.000 0.007 . . . . . . A 386 VAL CG1 . 30307 1 849 . 1 1 86 86 VAL N N 15 128.714 0.046 . . . . . . A 386 VAL N . 30307 1 850 . 1 1 87 87 THR H H 1 9.146 0.006 . . . . . . A 387 THR H . 30307 1 851 . 1 1 87 87 THR HA H 1 4.851 0.028 . . . . . . A 387 THR HA . 30307 1 852 . 1 1 87 87 THR HB H 1 4.058 0.003 . . . . . . A 387 THR HB . 30307 1 853 . 1 1 87 87 THR HG21 H 1 0.996 0.031 . . . . . . A 387 THR HG21 . 30307 1 854 . 1 1 87 87 THR HG22 H 1 0.996 0.031 . . . . . . A 387 THR HG22 . 30307 1 855 . 1 1 87 87 THR HG23 H 1 0.996 0.031 . . . . . . A 387 THR HG23 . 30307 1 856 . 1 1 87 87 THR C C 13 174.740 0.000 . . . . . . A 387 THR C . 30307 1 857 . 1 1 87 87 THR CA C 13 62.334 0.031 . . . . . . A 387 THR CA . 30307 1 858 . 1 1 87 87 THR CB C 13 68.749 0.013 . . . . . . A 387 THR CB . 30307 1 859 . 1 1 87 87 THR CG2 C 13 21.199 0.012 . . . . . . A 387 THR CG2 . 30307 1 860 . 1 1 87 87 THR N N 15 123.633 0.048 . . . . . . A 387 THR N . 30307 1 861 . 1 1 88 88 ILE H H 1 9.910 0.010 . . . . . . A 388 ILE H . 30307 1 862 . 1 1 88 88 ILE HA H 1 4.781 0.012 . . . . . . A 388 ILE HA . 30307 1 863 . 1 1 88 88 ILE HB H 1 1.722 0.006 . . . . . . A 388 ILE HB . 30307 1 864 . 1 1 88 88 ILE HG21 H 1 1.575 0.017 . . . . . . A 388 ILE HG21 . 30307 1 865 . 1 1 88 88 ILE HG22 H 1 1.575 0.017 . . . . . . A 388 ILE HG22 . 30307 1 866 . 1 1 88 88 ILE HG23 H 1 1.575 0.017 . . . . . . A 388 ILE HG23 . 30307 1 867 . 1 1 88 88 ILE HD11 H 1 0.807 0.006 . . . . . . A 388 ILE HD11 . 30307 1 868 . 1 1 88 88 ILE HD12 H 1 0.807 0.006 . . . . . . A 388 ILE HD12 . 30307 1 869 . 1 1 88 88 ILE HD13 H 1 0.807 0.006 . . . . . . A 388 ILE HD13 . 30307 1 870 . 1 1 88 88 ILE C C 13 174.625 0.000 . . . . . . A 388 ILE C . 30307 1 871 . 1 1 88 88 ILE CA C 13 59.472 0.000 . . . . . . A 388 ILE CA . 30307 1 872 . 1 1 88 88 ILE CB C 13 41.930 0.017 . . . . . . A 388 ILE CB . 30307 1 873 . 1 1 88 88 ILE N N 15 132.629 0.061 . . . . . . A 388 ILE N . 30307 1 874 . 1 1 89 89 ILE H H 1 7.821 0.010 . . . . . . A 389 ILE H . 30307 1 875 . 1 1 89 89 ILE HA H 1 5.221 0.010 . . . . . . A 389 ILE HA . 30307 1 876 . 1 1 89 89 ILE HB H 1 1.948 0.010 . . . . . . A 389 ILE HB . 30307 1 877 . 1 1 89 89 ILE HG12 H 1 1.146 0.008 . . . . . . A 389 ILE HG12 . 30307 1 878 . 1 1 89 89 ILE HG13 H 1 1.146 0.008 . . . . . . A 389 ILE HG13 . 30307 1 879 . 1 1 89 89 ILE HG21 H 1 1.318 0.050 . . . . . . A 389 ILE HG21 . 30307 1 880 . 1 1 89 89 ILE HG22 H 1 1.318 0.050 . . . . . . A 389 ILE HG22 . 30307 1 881 . 1 1 89 89 ILE HG23 H 1 1.318 0.050 . . . . . . A 389 ILE HG23 . 30307 1 882 . 1 1 89 89 ILE HD11 H 1 0.731 0.024 . . . . . . A 389 ILE HD11 . 30307 1 883 . 1 1 89 89 ILE HD12 H 1 0.731 0.024 . . . . . . A 389 ILE HD12 . 30307 1 884 . 1 1 89 89 ILE HD13 H 1 0.731 0.024 . . . . . . A 389 ILE HD13 . 30307 1 885 . 1 1 89 89 ILE C C 13 175.180 0.000 . . . . . . A 389 ILE C . 30307 1 886 . 1 1 89 89 ILE CA C 13 59.196 0.093 . . . . . . A 389 ILE CA . 30307 1 887 . 1 1 89 89 ILE CB C 13 35.888 0.024 . . . . . . A 389 ILE CB . 30307 1 888 . 1 1 89 89 ILE CD1 C 13 17.678 0.011 . . . . . . A 389 ILE CD1 . 30307 1 889 . 1 1 89 89 ILE N N 15 125.329 0.055 . . . . . . A 389 ILE N . 30307 1 890 . 1 1 90 90 ALA H H 1 8.965 0.005 . . . . . . A 390 ALA H . 30307 1 891 . 1 1 90 90 ALA HA H 1 5.547 0.004 . . . . . . A 390 ALA HA . 30307 1 892 . 1 1 90 90 ALA HB1 H 1 0.969 0.010 . . . . . . A 390 ALA HB1 . 30307 1 893 . 1 1 90 90 ALA HB2 H 1 0.969 0.010 . . . . . . A 390 ALA HB2 . 30307 1 894 . 1 1 90 90 ALA HB3 H 1 0.969 0.010 . . . . . . A 390 ALA HB3 . 30307 1 895 . 1 1 90 90 ALA C C 13 175.313 0.000 . . . . . . A 390 ALA C . 30307 1 896 . 1 1 90 90 ALA CA C 13 49.429 0.030 . . . . . . A 390 ALA CA . 30307 1 897 . 1 1 90 90 ALA CB C 13 23.236 0.018 . . . . . . A 390 ALA CB . 30307 1 898 . 1 1 90 90 ALA N N 15 130.393 0.059 . . . . . . A 390 ALA N . 30307 1 899 . 1 1 91 91 GLN H H 1 8.848 0.012 . . . . . . A 391 GLN H . 30307 1 900 . 1 1 91 91 GLN HA H 1 4.447 0.005 . . . . . . A 391 GLN HA . 30307 1 901 . 1 1 91 91 GLN HB2 H 1 1.848 0.017 . . . . . . A 391 GLN HB2 . 30307 1 902 . 1 1 91 91 GLN HB3 H 1 1.848 0.017 . . . . . . A 391 GLN HB3 . 30307 1 903 . 1 1 91 91 GLN HG2 H 1 2.158 0.007 . . . . . . A 391 GLN HG2 . 30307 1 904 . 1 1 91 91 GLN HG3 H 1 1.610 0.017 . . . . . . A 391 GLN HG3 . 30307 1 905 . 1 1 91 91 GLN C C 13 173.709 0.000 . . . . . . A 391 GLN C . 30307 1 906 . 1 1 91 91 GLN CA C 13 54.880 0.042 . . . . . . A 391 GLN CA . 30307 1 907 . 1 1 91 91 GLN CB C 13 32.740 0.003 . . . . . . A 391 GLN CB . 30307 1 908 . 1 1 91 91 GLN CG C 13 33.363 0.010 . . . . . . A 391 GLN CG . 30307 1 909 . 1 1 91 91 GLN N N 15 119.200 0.050 . . . . . . A 391 GLN N . 30307 1 910 . 1 1 92 92 TYR H H 1 9.141 0.010 . . . . . . A 392 TYR H . 30307 1 911 . 1 1 92 92 TYR HA H 1 5.073 0.005 . . . . . . A 392 TYR HA . 30307 1 912 . 1 1 92 92 TYR HB2 H 1 3.065 0.005 . . . . . . A 392 TYR HB2 . 30307 1 913 . 1 1 92 92 TYR HB3 H 1 2.884 0.008 . . . . . . A 392 TYR HB3 . 30307 1 914 . 1 1 92 92 TYR HD1 H 1 6.899 0.001 . . . . . . A 392 TYR HD1 . 30307 1 915 . 1 1 92 92 TYR HD2 H 1 6.899 0.001 . . . . . . A 392 TYR HD2 . 30307 1 916 . 1 1 92 92 TYR C C 13 175.064 0.000 . . . . . . A 392 TYR C . 30307 1 917 . 1 1 92 92 TYR CA C 13 59.656 0.037 . . . . . . A 392 TYR CA . 30307 1 918 . 1 1 92 92 TYR CB C 13 38.202 0.010 . . . . . . A 392 TYR CB . 30307 1 919 . 1 1 92 92 TYR N N 15 130.965 0.028 . . . . . . A 392 TYR N . 30307 1 920 . 1 1 93 93 LYS H H 1 7.954 0.033 . . . . . . A 393 LYS H . 30307 1 921 . 1 1 93 93 LYS HA H 1 4.864 0.016 . . . . . . A 393 LYS HA . 30307 1 922 . 1 1 93 93 LYS HB2 H 1 2.362 0.005 . . . . . . A 393 LYS HB2 . 30307 1 923 . 1 1 93 93 LYS HB3 H 1 2.019 0.004 . . . . . . A 393 LYS HB3 . 30307 1 924 . 1 1 93 93 LYS HD2 H 1 1.565 0.006 . . . . . . A 393 LYS HD2 . 30307 1 925 . 1 1 93 93 LYS HD3 H 1 1.344 0.003 . . . . . . A 393 LYS HD3 . 30307 1 926 . 1 1 93 93 LYS CA C 13 54.309 0.035 . . . . . . A 393 LYS CA . 30307 1 927 . 1 1 93 93 LYS CB C 13 34.819 0.010 . . . . . . A 393 LYS CB . 30307 1 928 . 1 1 93 93 LYS N N 15 129.333 0.032 . . . . . . A 393 LYS N . 30307 1 929 . 1 1 94 94 PRO HA H 1 4.068 0.008 . . . . . . A 394 PRO HA . 30307 1 930 . 1 1 94 94 PRO HB2 H 1 1.831 0.009 . . . . . . A 394 PRO HB2 . 30307 1 931 . 1 1 94 94 PRO HB3 H 1 1.953 0.020 . . . . . . A 394 PRO HB3 . 30307 1 932 . 1 1 94 94 PRO HG2 H 1 1.264 0.012 . . . . . . A 394 PRO HG2 . 30307 1 933 . 1 1 94 94 PRO HG3 H 1 1.594 0.015 . . . . . . A 394 PRO HG3 . 30307 1 934 . 1 1 94 94 PRO HD2 H 1 3.206 0.003 . . . . . . A 394 PRO HD2 . 30307 1 935 . 1 1 94 94 PRO HD3 H 1 3.206 0.003 . . . . . . A 394 PRO HD3 . 30307 1 936 . 1 1 94 94 PRO C C 13 179.409 0.000 . . . . . . A 394 PRO C . 30307 1 937 . 1 1 94 94 PRO CA C 13 64.994 0.007 . . . . . . A 394 PRO CA . 30307 1 938 . 1 1 94 94 PRO CB C 13 31.070 0.010 . . . . . . A 394 PRO CB . 30307 1 939 . 1 1 94 94 PRO CD C 13 49.078 0.009 . . . . . . A 394 PRO CD . 30307 1 940 . 1 1 95 95 GLU H H 1 8.795 0.006 . . . . . . A 395 GLU H . 30307 1 941 . 1 1 95 95 GLU HA H 1 4.075 0.001 . . . . . . A 395 GLU HA . 30307 1 942 . 1 1 95 95 GLU HB2 H 1 2.057 0.004 . . . . . . A 395 GLU HB2 . 30307 1 943 . 1 1 95 95 GLU HB3 H 1 1.945 0.001 . . . . . . A 395 GLU HB3 . 30307 1 944 . 1 1 95 95 GLU HG2 H 1 2.438 0.001 . . . . . . A 395 GLU HG2 . 30307 1 945 . 1 1 95 95 GLU HG3 H 1 2.262 0.000 . . . . . . A 395 GLU HG3 . 30307 1 946 . 1 1 95 95 GLU C C 13 179.408 0.000 . . . . . . A 395 GLU C . 30307 1 947 . 1 1 95 95 GLU N N 15 119.912 0.060 . . . . . . A 395 GLU N . 30307 1 948 . 1 1 96 96 GLU H H 1 8.367 0.010 . . . . . . A 396 GLU H . 30307 1 949 . 1 1 96 96 GLU HA H 1 4.005 0.007 . . . . . . A 396 GLU HA . 30307 1 950 . 1 1 96 96 GLU HB2 H 1 2.122 0.013 . . . . . . A 396 GLU HB2 . 30307 1 951 . 1 1 96 96 GLU HB3 H 1 2.245 0.006 . . . . . . A 396 GLU HB3 . 30307 1 952 . 1 1 96 96 GLU HG2 H 1 2.384 0.019 . . . . . . A 396 GLU HG2 . 30307 1 953 . 1 1 96 96 GLU HG3 H 1 2.539 0.003 . . . . . . A 396 GLU HG3 . 30307 1 954 . 1 1 96 96 GLU C C 13 178.351 0.000 . . . . . . A 396 GLU C . 30307 1 955 . 1 1 96 96 GLU CB C 13 29.363 0.026 . . . . . . A 396 GLU CB . 30307 1 956 . 1 1 96 96 GLU CG C 13 37.245 0.010 . . . . . . A 396 GLU CG . 30307 1 957 . 1 1 96 96 GLU N N 15 122.158 0.059 . . . . . . A 396 GLU N . 30307 1 958 . 1 1 97 97 TYR H H 1 8.247 0.014 . . . . . . A 397 TYR H . 30307 1 959 . 1 1 97 97 TYR HA H 1 3.325 0.021 . . . . . . A 397 TYR HA . 30307 1 960 . 1 1 97 97 TYR HB2 H 1 2.827 0.012 . . . . . . A 397 TYR HB2 . 30307 1 961 . 1 1 97 97 TYR HB3 H 1 2.970 0.009 . . . . . . A 397 TYR HB3 . 30307 1 962 . 1 1 97 97 TYR HD1 H 1 6.753 0.027 . . . . . . A 397 TYR HD1 . 30307 1 963 . 1 1 97 97 TYR HD2 H 1 6.753 0.027 . . . . . . A 397 TYR HD2 . 30307 1 964 . 1 1 97 97 TYR HE1 H 1 6.525 0.004 . . . . . . A 397 TYR HE1 . 30307 1 965 . 1 1 97 97 TYR HE2 H 1 6.525 0.004 . . . . . . A 397 TYR HE2 . 30307 1 966 . 1 1 97 97 TYR C C 13 176.179 0.000 . . . . . . A 397 TYR C . 30307 1 967 . 1 1 97 97 TYR CA C 13 60.088 0.053 . . . . . . A 397 TYR CA . 30307 1 968 . 1 1 97 97 TYR CB C 13 38.975 0.011 . . . . . . A 397 TYR CB . 30307 1 969 . 1 1 97 97 TYR CD1 C 13 132.852 0.025 . . . . . . A 397 TYR CD1 . 30307 1 970 . 1 1 97 97 TYR CE1 C 13 118.475 0.017 . . . . . . A 397 TYR CE1 . 30307 1 971 . 1 1 97 97 TYR N N 15 118.975 0.031 . . . . . . A 397 TYR N . 30307 1 972 . 1 1 98 98 SER H H 1 7.504 0.014 . . . . . . A 398 SER H . 30307 1 973 . 1 1 98 98 SER HA H 1 4.015 0.008 . . . . . . A 398 SER HA . 30307 1 974 . 1 1 98 98 SER HB2 H 1 3.923 0.010 . . . . . . A 398 SER HB2 . 30307 1 975 . 1 1 98 98 SER HB3 H 1 3.923 0.010 . . . . . . A 398 SER HB3 . 30307 1 976 . 1 1 98 98 SER C C 13 175.502 0.000 . . . . . . A 398 SER C . 30307 1 977 . 1 1 98 98 SER CA C 13 61.260 0.043 . . . . . . A 398 SER CA . 30307 1 978 . 1 1 98 98 SER CB C 13 63.173 0.044 . . . . . . A 398 SER CB . 30307 1 979 . 1 1 98 98 SER N N 15 111.586 0.051 . . . . . . A 398 SER N . 30307 1 980 . 1 1 99 99 ARG H H 1 6.974 0.014 . . . . . . A 399 ARG H . 30307 1 981 . 1 1 99 99 ARG HA H 1 3.951 0.007 . . . . . . A 399 ARG HA . 30307 1 982 . 1 1 99 99 ARG HB2 H 1 1.407 0.016 . . . . . . A 399 ARG HB2 . 30307 1 983 . 1 1 99 99 ARG HB3 H 1 2.295 0.000 . . . . . . A 399 ARG HB3 . 30307 1 984 . 1 1 99 99 ARG HG2 H 1 0.782 0.006 . . . . . . A 399 ARG HG2 . 30307 1 985 . 1 1 99 99 ARG HG3 H 1 1.159 0.011 . . . . . . A 399 ARG HG3 . 30307 1 986 . 1 1 99 99 ARG HD2 H 1 2.871 0.006 . . . . . . A 399 ARG HD2 . 30307 1 987 . 1 1 99 99 ARG HD3 H 1 2.871 0.006 . . . . . . A 399 ARG HD3 . 30307 1 988 . 1 1 99 99 ARG C C 13 177.249 0.000 . . . . . . A 399 ARG C . 30307 1 989 . 1 1 99 99 ARG CA C 13 57.886 0.035 . . . . . . A 399 ARG CA . 30307 1 990 . 1 1 99 99 ARG CB C 13 29.416 0.058 . . . . . . A 399 ARG CB . 30307 1 991 . 1 1 99 99 ARG CG C 13 26.300 0.008 . . . . . . A 399 ARG CG . 30307 1 992 . 1 1 99 99 ARG CD C 13 43.394 0.012 . . . . . . A 399 ARG CD . 30307 1 993 . 1 1 99 99 ARG N N 15 120.350 0.030 . . . . . . A 399 ARG N . 30307 1 994 . 1 1 100 100 PHE H H 1 7.773 0.011 . . . . . . A 400 PHE H . 30307 1 995 . 1 1 100 100 PHE HA H 1 4.356 0.004 . . . . . . A 400 PHE HA . 30307 1 996 . 1 1 100 100 PHE HB2 H 1 2.243 0.017 . . . . . . A 400 PHE HB2 . 30307 1 997 . 1 1 100 100 PHE HB3 H 1 3.079 0.004 . . . . . . A 400 PHE HB3 . 30307 1 998 . 1 1 100 100 PHE C C 13 176.081 0.000 . . . . . . A 400 PHE C . 30307 1 999 . 1 1 100 100 PHE CA C 13 58.665 0.036 . . . . . . A 400 PHE CA . 30307 1 1000 . 1 1 100 100 PHE CB C 13 38.728 0.053 . . . . . . A 400 PHE CB . 30307 1 1001 . 1 1 100 100 PHE N N 15 117.325 0.052 . . . . . . A 400 PHE N . 30307 1 1002 . 1 1 101 101 GLU H H 1 7.382 0.009 . . . . . . A 401 GLU H . 30307 1 1003 . 1 1 101 101 GLU HA H 1 4.282 0.012 . . . . . . A 401 GLU HA . 30307 1 1004 . 1 1 101 101 GLU HB2 H 1 1.829 0.007 . . . . . . A 401 GLU HB2 . 30307 1 1005 . 1 1 101 101 GLU HB3 H 1 2.042 0.007 . . . . . . A 401 GLU HB3 . 30307 1 1006 . 1 1 101 101 GLU HG2 H 1 2.160 0.012 . . . . . . A 401 GLU HG2 . 30307 1 1007 . 1 1 101 101 GLU HG3 H 1 2.160 0.012 . . . . . . A 401 GLU HG3 . 30307 1 1008 . 1 1 101 101 GLU C C 13 174.533 0.000 . . . . . . A 401 GLU C . 30307 1 1009 . 1 1 101 101 GLU CA C 13 56.178 0.032 . . . . . . A 401 GLU CA . 30307 1 1010 . 1 1 101 101 GLU CB C 13 30.503 0.025 . . . . . . A 401 GLU CB . 30307 1 1011 . 1 1 101 101 GLU N N 15 119.808 0.094 . . . . . . A 401 GLU N . 30307 1 1012 . 1 1 102 102 ALA H H 1 7.656 0.013 . . . . . . A 402 ALA H . 30307 1 1013 . 1 1 102 102 ALA HA H 1 4.099 0.005 . . . . . . A 402 ALA HA . 30307 1 1014 . 1 1 102 102 ALA HB1 H 1 1.310 0.008 . . . . . . A 402 ALA HB1 . 30307 1 1015 . 1 1 102 102 ALA HB2 H 1 1.310 0.008 . . . . . . A 402 ALA HB2 . 30307 1 1016 . 1 1 102 102 ALA HB3 H 1 1.310 0.008 . . . . . . A 402 ALA HB3 . 30307 1 1017 . 1 1 102 102 ALA CA C 13 53.938 0.032 . . . . . . A 402 ALA CA . 30307 1 1018 . 1 1 102 102 ALA CB C 13 20.137 0.000 . . . . . . A 402 ALA CB . 30307 1 1019 . 1 1 102 102 ALA N N 15 130.527 0.064 . . . . . . A 402 ALA N . 30307 1 stop_ save_