data_4560 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4560 _Entry.Title ; Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-12-13 _Entry.Accession_date 1999-12-14 _Entry.Last_release_date 2000-04-03 _Entry.Original_release_date 2000-04-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hikaru Hemmi . . . 4560 2 'Young Kee' Chae . . . 4560 3 Joey Studts . M. . 4560 4 Brian Fox . G. . 4560 5 John Markley . L. . 4560 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4560 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 730 4560 '13C chemical shifts' 458 4560 '15N chemical shifts' 111 4560 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 . . 2000-04-03 1999-12-13 original author . 4560 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4560 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 359 _Citation.Page_last 360 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hikaru Hemmi . . . 4560 1 2 Young Chae . K. . 4560 1 3 Joey Studts . M. . 4560 1 4 Brian Fox . G. . 4560 1 5 John Markley . L. . 4560 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_T4MOD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_T4MOD _Assembly.Entry_ID 4560 _Assembly.ID 1 _Assembly.Name T4MOD _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4560 1 stop_ 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 T4MOD 1 $T4MOD . . . native . . . . . 4560 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID T4MOD system 4560 1 T4MOD abbreviation 4560 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'an effector protein in Toluene-4-monooxygenase complex' 4560 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T4MOD _Entity.Sf_category entity _Entity.Sf_framecode T4MOD _Entity.Entry_ID 4560 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T4MOD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STLADQALHNNNVGPIIRAG DLVEPVIETAEIDNPGKEIT VEDRRAYVRIAAEGELILTR KTLEEQLGRPFNMQELEINL ASFAGQIQADEDQIRFYFDK TM ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1G10 . "Toluene-4-Monooxygenase Catalytic Effector Protein Nmr Structure" . . . . . 99.02 102 100.00 100.00 2.33e-65 . . . . 4560 1 2 no PDB 1G11 . "Toluene-4-Monooxygenase Catalytic Effector Protein Nmr Structure" . . . . . 99.02 102 100.00 100.00 2.33e-65 . . . . 4560 1 3 no PDB 2BF2 . "Crystal Structure Of Native Toluene-4-Monooxygenase Catalytic Effector Protein, T4mod" . . . . . 100.00 102 100.00 100.00 3.16e-66 . . . . 4560 1 4 no PDB 2BF3 . "Crystal Structure Of A Toluene 4-Monooxygenase Catalytic Effector Protein Variant Missing Ten N-Terminal Residues (Delta-N10 T4" . . . . . 90.20 92 100.00 100.00 3.56e-58 . . . . 4560 1 5 no PDB 2BF5 . "Crystal Structure Of A Toluene 4-Monooxygenase Catalytic Effector Protein Variant Missing Four N-Terminal Residues (Delta-N4 T4" . . . . . 96.08 98 100.00 100.00 2.94e-63 . . . . 4560 1 6 no PDB 3DHH . "Crystal Structure Of Resting State Toluene 4-monoxygenase Hydroxylase Complexed With Effector Protein" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 7 no PDB 3DHI . "Crystal Structure Of Reduced Toluene 4-monoxygenase Hydroxylase Complexed With Effector Protein" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 8 no PDB 3GE3 . "Crystal Structure Of The Reduced Toluene 4-monooxygenase Hd T201a Mutant Complex" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 9 no PDB 3GE8 . "Toluene 4-Monooxygenase Hd T201a Diferric, Resting State Complex" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 10 no PDB 3I5J . "Diferric Resting State Toluene 4-Monooxygenase Hd Complex" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 11 no PDB 3I63 . "Peroxide Bound Toluene 4-Monooxygenase" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 12 no PDB 3Q14 . "Toluene 4 Monooxygenase Hd Complex With P-Cresol" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 13 no PDB 3Q2A . "Toluene 4 Monooxygenase Hd Complex With Inhibitor P-Aminobenzoate" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 14 no PDB 3Q3M . "Toluene 4 Monooxygenase Hd Complex With Inhibitor 4-Bromobenzoate" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 15 no PDB 3Q3N . "Toluene 4 Monooxygenase Hd Complex With P-Nitrophenol" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 16 no PDB 3Q3O . "Toluene 4 Monooxygenase Hd Complex With Phenol" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 17 no PDB 3RI7 . "Toluene 4 Monooxygenase Hd Mutant G103l" . . . . . 99.02 101 100.00 100.00 2.26e-65 . . . . 4560 1 18 no GB AAA26002 . "toluene-4-monooxygenase [Pseudomonas mendocina]" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 19 no GB AAS66663 . "effector [Pseudomonas mendocina]" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 20 no GB AJO68018 . "effector [Pseudomonas sp. M4(2015)]" . . . . . 100.00 103 99.02 100.00 1.45e-65 . . . . 4560 1 21 no SP Q00459 . "RecName: Full=Toluene-4-monooxygenase system protein D; AltName: Full=T4mo effector protein D; Short=T4moD; AltName: Full=Tolue" . . . . . 100.00 103 100.00 100.00 3.02e-66 . . . . 4560 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID T4MOD common 4560 1 T4MOD abbreviation 4560 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 . SER . 4560 1 2 . THR . 4560 1 3 . LEU . 4560 1 4 . ALA . 4560 1 5 . ASP . 4560 1 6 . GLN . 4560 1 7 . ALA . 4560 1 8 . LEU . 4560 1 9 . HIS . 4560 1 10 . ASN . 4560 1 11 . ASN . 4560 1 12 . ASN . 4560 1 13 . VAL . 4560 1 14 . GLY . 4560 1 15 . PRO . 4560 1 16 . ILE . 4560 1 17 . ILE . 4560 1 18 . ARG . 4560 1 19 . ALA . 4560 1 20 . GLY . 4560 1 21 . ASP . 4560 1 22 . LEU . 4560 1 23 . VAL . 4560 1 24 . GLU . 4560 1 25 . PRO . 4560 1 26 . VAL . 4560 1 27 . ILE . 4560 1 28 . GLU . 4560 1 29 . THR . 4560 1 30 . ALA . 4560 1 31 . GLU . 4560 1 32 . ILE . 4560 1 33 . ASP . 4560 1 34 . ASN . 4560 1 35 . PRO . 4560 1 36 . GLY . 4560 1 37 . LYS . 4560 1 38 . GLU . 4560 1 39 . ILE . 4560 1 40 . THR . 4560 1 41 . VAL . 4560 1 42 . GLU . 4560 1 43 . ASP . 4560 1 44 . ARG . 4560 1 45 . ARG . 4560 1 46 . ALA . 4560 1 47 . TYR . 4560 1 48 . VAL . 4560 1 49 . ARG . 4560 1 50 . ILE . 4560 1 51 . ALA . 4560 1 52 . ALA . 4560 1 53 . GLU . 4560 1 54 . GLY . 4560 1 55 . GLU . 4560 1 56 . LEU . 4560 1 57 . ILE . 4560 1 58 . LEU . 4560 1 59 . THR . 4560 1 60 . ARG . 4560 1 61 . LYS . 4560 1 62 . THR . 4560 1 63 . LEU . 4560 1 64 . GLU . 4560 1 65 . GLU . 4560 1 66 . GLN . 4560 1 67 . LEU . 4560 1 68 . GLY . 4560 1 69 . ARG . 4560 1 70 . PRO . 4560 1 71 . PHE . 4560 1 72 . ASN . 4560 1 73 . MET . 4560 1 74 . GLN . 4560 1 75 . GLU . 4560 1 76 . LEU . 4560 1 77 . GLU . 4560 1 78 . ILE . 4560 1 79 . ASN . 4560 1 80 . LEU . 4560 1 81 . ALA . 4560 1 82 . SER . 4560 1 83 . PHE . 4560 1 84 . ALA . 4560 1 85 . GLY . 4560 1 86 . GLN . 4560 1 87 . ILE . 4560 1 88 . GLN . 4560 1 89 . ALA . 4560 1 90 . ASP . 4560 1 91 . GLU . 4560 1 92 . ASP . 4560 1 93 . GLN . 4560 1 94 . ILE . 4560 1 95 . ARG . 4560 1 96 . PHE . 4560 1 97 . TYR . 4560 1 98 . PHE . 4560 1 99 . ASP . 4560 1 100 . LYS . 4560 1 101 . THR . 4560 1 102 . MET . 4560 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 . SER 1 1 4560 1 . THR 2 2 4560 1 . LEU 3 3 4560 1 . ALA 4 4 4560 1 . ASP 5 5 4560 1 . GLN 6 6 4560 1 . ALA 7 7 4560 1 . LEU 8 8 4560 1 . HIS 9 9 4560 1 . ASN 10 10 4560 1 . ASN 11 11 4560 1 . ASN 12 12 4560 1 . VAL 13 13 4560 1 . GLY 14 14 4560 1 . PRO 15 15 4560 1 . ILE 16 16 4560 1 . ILE 17 17 4560 1 . ARG 18 18 4560 1 . ALA 19 19 4560 1 . GLY 20 20 4560 1 . ASP 21 21 4560 1 . LEU 22 22 4560 1 . VAL 23 23 4560 1 . GLU 24 24 4560 1 . PRO 25 25 4560 1 . VAL 26 26 4560 1 . ILE 27 27 4560 1 . GLU 28 28 4560 1 . THR 29 29 4560 1 . ALA 30 30 4560 1 . GLU 31 31 4560 1 . ILE 32 32 4560 1 . ASP 33 33 4560 1 . ASN 34 34 4560 1 . PRO 35 35 4560 1 . GLY 36 36 4560 1 . LYS 37 37 4560 1 . GLU 38 38 4560 1 . ILE 39 39 4560 1 . THR 40 40 4560 1 . VAL 41 41 4560 1 . GLU 42 42 4560 1 . ASP 43 43 4560 1 . ARG 44 44 4560 1 . ARG 45 45 4560 1 . ALA 46 46 4560 1 . TYR 47 47 4560 1 . VAL 48 48 4560 1 . ARG 49 49 4560 1 . ILE 50 50 4560 1 . ALA 51 51 4560 1 . ALA 52 52 4560 1 . GLU 53 53 4560 1 . GLY 54 54 4560 1 . GLU 55 55 4560 1 . LEU 56 56 4560 1 . ILE 57 57 4560 1 . LEU 58 58 4560 1 . THR 59 59 4560 1 . ARG 60 60 4560 1 . LYS 61 61 4560 1 . THR 62 62 4560 1 . LEU 63 63 4560 1 . GLU 64 64 4560 1 . GLU 65 65 4560 1 . GLN 66 66 4560 1 . LEU 67 67 4560 1 . GLY 68 68 4560 1 . ARG 69 69 4560 1 . PRO 70 70 4560 1 . PHE 71 71 4560 1 . ASN 72 72 4560 1 . MET 73 73 4560 1 . GLN 74 74 4560 1 . GLU 75 75 4560 1 . LEU 76 76 4560 1 . GLU 77 77 4560 1 . ILE 78 78 4560 1 . ASN 79 79 4560 1 . LEU 80 80 4560 1 . ALA 81 81 4560 1 . SER 82 82 4560 1 . PHE 83 83 4560 1 . ALA 84 84 4560 1 . GLY 85 85 4560 1 . GLN 86 86 4560 1 . ILE 87 87 4560 1 . GLN 88 88 4560 1 . ALA 89 89 4560 1 . ASP 90 90 4560 1 . GLU 91 91 4560 1 . ASP 92 92 4560 1 . GLN 93 93 4560 1 . ILE 94 94 4560 1 . ARG 95 95 4560 1 . PHE 96 96 4560 1 . TYR 97 97 4560 1 . PHE 98 98 4560 1 . ASP 99 99 4560 1 . LYS 100 100 4560 1 . THR 101 101 4560 1 . MET 102 102 4560 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 4560 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $T4MOD . 300 . . 'Pseudomonas mendocina' 'Pseudomonas mendocina' . . Eubacteria . Pseudomonas mendocina . . . . . . . . . . . . . . . . . . . . . 4560 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 4560 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $T4MOD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4560 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 T4MOD '[U-13C; U-15N]' . . 1 $T4MOD . . 1.1 . . mM . . . . 4560 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4560 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 T4MOD . . . 1 $T4MOD . . . 2.5 3.5 mM . . . . 4560 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4560 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 4560 1 temperature 298 0.1 K 4560 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4560 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing of NMR data' 4560 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 4560 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4560 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4560 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4560 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4560 _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_spectrometer1 Bruker DMX . 500 . . . 4560 1 2 NMR_spectrometer2 Bruker DMX . 600 . . . 4560 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 4560 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 3 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 4 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 5 '3D CCONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 7 '3D HCCONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 8 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 10 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 11 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 12 '3D CT-13C-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 13 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 14 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 15 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4560 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CCONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D CT-13C-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4560 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D 15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4560 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4560 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4560 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4560 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4560 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4560 1 . . 2 $sample_2 . 4560 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.48 . . 1 . . . . . . . . 4560 1 2 . 1 1 2 2 THR HB H 1 4.30 . . 1 . . . . . . . . 4560 1 3 . 1 1 2 2 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4560 1 4 . 1 1 2 2 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4560 1 5 . 1 1 2 2 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4560 1 6 . 1 1 2 2 THR C C 13 174.73 . . 1 . . . . . . . . 4560 1 7 . 1 1 2 2 THR CA C 13 61.97 . . 1 . . . . . . . . 4560 1 8 . 1 1 2 2 THR CB C 13 70.02 . . 1 . . . . . . . . 4560 1 9 . 1 1 2 2 THR CG2 C 13 21.65 . . 1 . . . . . . . . 4560 1 10 . 1 1 3 3 LEU H H 1 8.44 . . 1 . . . . . . . . 4560 1 11 . 1 1 3 3 LEU HA H 1 4.34 . . 1 . . . . . . . . 4560 1 12 . 1 1 3 3 LEU HB2 H 1 1.66 . . 1 . . . . . . . . 4560 1 13 . 1 1 3 3 LEU HB3 H 1 1.66 . . 1 . . . . . . . . 4560 1 14 . 1 1 3 3 LEU HG H 1 1.68 . . 1 . . . . . . . . 4560 1 15 . 1 1 3 3 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4560 1 16 . 1 1 3 3 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4560 1 17 . 1 1 3 3 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4560 1 18 . 1 1 3 3 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4560 1 19 . 1 1 3 3 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4560 1 20 . 1 1 3 3 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4560 1 21 . 1 1 3 3 LEU C C 13 177.63 . . 1 . . . . . . . . 4560 1 22 . 1 1 3 3 LEU CA C 13 55.77 . . 1 . . . . . . . . 4560 1 23 . 1 1 3 3 LEU CB C 13 42.19 . . 1 . . . . . . . . 4560 1 24 . 1 1 3 3 LEU CG C 13 27.09 . . 1 . . . . . . . . 4560 1 25 . 1 1 3 3 LEU CD1 C 13 23.56 . . 2 . . . . . . . . 4560 1 26 . 1 1 3 3 LEU CD2 C 13 24.82 . . 2 . . . . . . . . 4560 1 27 . 1 1 3 3 LEU N N 15 125.75 . . 1 . . . . . . . . 4560 1 28 . 1 1 4 4 ALA H H 1 8.28 . . 1 . . . . . . . . 4560 1 29 . 1 1 4 4 ALA HA H 1 4.30 . . 1 . . . . . . . . 4560 1 30 . 1 1 4 4 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4560 1 31 . 1 1 4 4 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4560 1 32 . 1 1 4 4 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4560 1 33 . 1 1 4 4 ALA C C 13 177.93 . . 1 . . . . . . . . 4560 1 34 . 1 1 4 4 ALA CA C 13 53.08 . . 1 . . . . . . . . 4560 1 35 . 1 1 4 4 ALA CB C 13 19.09 . . 1 . . . . . . . . 4560 1 36 . 1 1 4 4 ALA N N 15 125.35 . . 1 . . . . . . . . 4560 1 37 . 1 1 5 5 ASP H H 1 8.17 . . 1 . . . . . . . . 4560 1 38 . 1 1 5 5 ASP HA H 1 4.56 . . 1 . . . . . . . . 4560 1 39 . 1 1 5 5 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4560 1 40 . 1 1 5 5 ASP HB3 H 1 2.74 . . 1 . . . . . . . . 4560 1 41 . 1 1 5 5 ASP C C 13 176.93 . . 1 . . . . . . . . 4560 1 42 . 1 1 5 5 ASP CA C 13 54.92 . . 1 . . . . . . . . 4560 1 43 . 1 1 5 5 ASP CB C 13 41.16 . . 1 . . . . . . . . 4560 1 44 . 1 1 5 5 ASP N N 15 120.15 . . 1 . . . . . . . . 4560 1 45 . 1 1 6 6 GLN H H 1 8.21 . . 1 . . . . . . . . 4560 1 46 . 1 1 6 6 GLN HA H 1 4.27 . . 1 . . . . . . . . 4560 1 47 . 1 1 6 6 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 4560 1 48 . 1 1 6 6 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 4560 1 49 . 1 1 6 6 GLN HG2 H 1 2.43 . . 1 . . . . . . . . 4560 1 50 . 1 1 6 6 GLN HG3 H 1 2.43 . . 1 . . . . . . . . 4560 1 51 . 1 1 6 6 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 4560 1 52 . 1 1 6 6 GLN HE22 H 1 7.25 . . 2 . . . . . . . . 4560 1 53 . 1 1 6 6 GLN C C 13 176.13 . . 1 . . . . . . . . 4560 1 54 . 1 1 6 6 GLN CA C 13 56.41 . . 1 . . . . . . . . 4560 1 55 . 1 1 6 6 GLN CB C 13 29.25 . . 1 . . . . . . . . 4560 1 56 . 1 1 6 6 GLN CG C 13 33.95 . . 1 . . . . . . . . 4560 1 57 . 1 1 6 6 GLN CD C 13 180.43 . . 1 . . . . . . . . 4560 1 58 . 1 1 6 6 GLN N N 15 121.35 . . 1 . . . . . . . . 4560 1 59 . 1 1 6 6 GLN NE2 N 15 112.15 . . 1 . . . . . . . . 4560 1 60 . 1 1 7 7 ALA H H 1 8.19 . . 1 . . . . . . . . 4560 1 61 . 1 1 7 7 ALA HA H 1 4.28 . . 1 . . . . . . . . 4560 1 62 . 1 1 7 7 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4560 1 63 . 1 1 7 7 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4560 1 64 . 1 1 7 7 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4560 1 65 . 1 1 7 7 ALA C C 13 177.83 . . 1 . . . . . . . . 4560 1 66 . 1 1 7 7 ALA CA C 13 52.85 . . 1 . . . . . . . . 4560 1 67 . 1 1 7 7 ALA CB C 13 19.02 . . 1 . . . . . . . . 4560 1 68 . 1 1 7 7 ALA N N 15 124.75 . . 1 . . . . . . . . 4560 1 69 . 1 1 8 8 LEU H H 1 7.98 . . 1 . . . . . . . . 4560 1 70 . 1 1 8 8 LEU HA H 1 4.28 . . 1 . . . . . . . . 4560 1 71 . 1 1 8 8 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4560 1 72 . 1 1 8 8 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 4560 1 73 . 1 1 8 8 LEU HG H 1 1.58 . . 1 . . . . . . . . 4560 1 74 . 1 1 8 8 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4560 1 75 . 1 1 8 8 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4560 1 76 . 1 1 8 8 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4560 1 77 . 1 1 8 8 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4560 1 78 . 1 1 8 8 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4560 1 79 . 1 1 8 8 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4560 1 80 . 1 1 8 8 LEU C C 13 177.33 . . 1 . . . . . . . . 4560 1 81 . 1 1 8 8 LEU CA C 13 55.33 . . 1 . . . . . . . . 4560 1 82 . 1 1 8 8 LEU CB C 13 42.24 . . 1 . . . . . . . . 4560 1 83 . 1 1 8 8 LEU CG C 13 26.93 . . 1 . . . . . . . . 4560 1 84 . 1 1 8 8 LEU CD1 C 13 23.42 . . 2 . . . . . . . . 4560 1 85 . 1 1 8 8 LEU CD2 C 13 24.92 . . 2 . . . . . . . . 4560 1 86 . 1 1 8 8 LEU N N 15 121.05 . . 1 . . . . . . . . 4560 1 87 . 1 1 9 9 HIS H H 1 8.20 . . 1 . . . . . . . . 4560 1 88 . 1 1 9 9 HIS HA H 1 4.69 . . 1 . . . . . . . . 4560 1 89 . 1 1 9 9 HIS HB2 H 1 3.10 . . 2 . . . . . . . . 4560 1 90 . 1 1 9 9 HIS HB3 H 1 3.23 . . 2 . . . . . . . . 4560 1 91 . 1 1 9 9 HIS HD2 H 1 7.12 . . 1 . . . . . . . . 4560 1 92 . 1 1 9 9 HIS HE1 H 1 8.14 . . 1 . . . . . . . . 4560 1 93 . 1 1 9 9 HIS CA C 13 55.51 . . 1 . . . . . . . . 4560 1 94 . 1 1 9 9 HIS CB C 13 30.02 . . 1 . . . . . . . . 4560 1 95 . 1 1 9 9 HIS CD2 C 13 133.33 . . 1 . . . . . . . . 4560 1 96 . 1 1 9 9 HIS CE1 C 13 137.73 . . 1 . . . . . . . . 4560 1 97 . 1 1 9 9 HIS N N 15 119.85 . . 1 . . . . . . . . 4560 1 98 . 1 1 10 10 ASN HA H 1 4.65 . . 1 . . . . . . . . 4560 1 99 . 1 1 10 10 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 4560 1 100 . 1 1 10 10 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 4560 1 101 . 1 1 10 10 ASN HD21 H 1 6.90 . . 2 . . . . . . . . 4560 1 102 . 1 1 10 10 ASN HD22 H 1 7.63 . . 2 . . . . . . . . 4560 1 103 . 1 1 10 10 ASN C C 13 174.63 . . 1 . . . . . . . . 4560 1 104 . 1 1 10 10 ASN CA C 13 53.37 . . 1 . . . . . . . . 4560 1 105 . 1 1 10 10 ASN CB C 13 38.85 . . 1 . . . . . . . . 4560 1 106 . 1 1 10 10 ASN CG C 13 176.93 . . 1 . . . . . . . . 4560 1 107 . 1 1 10 10 ASN ND2 N 15 113.75 . . 1 . . . . . . . . 4560 1 108 . 1 1 11 11 ASN H H 1 8.42 . . 1 . . . . . . . . 4560 1 109 . 1 1 11 11 ASN HA H 1 4.26 . . 1 . . . . . . . . 4560 1 110 . 1 1 11 11 ASN HB2 H 1 2.17 . . 2 . . . . . . . . 4560 1 111 . 1 1 11 11 ASN HB3 H 1 2.48 . . 2 . . . . . . . . 4560 1 112 . 1 1 11 11 ASN HD21 H 1 6.79 . . 2 . . . . . . . . 4560 1 113 . 1 1 11 11 ASN HD22 H 1 7.25 . . 2 . . . . . . . . 4560 1 114 . 1 1 11 11 ASN C C 13 174.73 . . 1 . . . . . . . . 4560 1 115 . 1 1 11 11 ASN CA C 13 52.58 . . 1 . . . . . . . . 4560 1 116 . 1 1 11 11 ASN CB C 13 37.60 . . 1 . . . . . . . . 4560 1 117 . 1 1 11 11 ASN CG C 13 176.93 . . 1 . . . . . . . . 4560 1 118 . 1 1 11 11 ASN N N 15 120.45 . . 1 . . . . . . . . 4560 1 119 . 1 1 11 11 ASN ND2 N 15 112.25 . . 1 . . . . . . . . 4560 1 120 . 1 1 12 12 ASN H H 1 7.98 . . 1 . . . . . . . . 4560 1 121 . 1 1 12 12 ASN HA H 1 4.98 . . 1 . . . . . . . . 4560 1 122 . 1 1 12 12 ASN HB2 H 1 2.29 . . 2 . . . . . . . . 4560 1 123 . 1 1 12 12 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4560 1 124 . 1 1 12 12 ASN HD21 H 1 6.87 . . 2 . . . . . . . . 4560 1 125 . 1 1 12 12 ASN HD22 H 1 7.20 . . 2 . . . . . . . . 4560 1 126 . 1 1 12 12 ASN C C 13 175.33 . . 1 . . . . . . . . 4560 1 127 . 1 1 12 12 ASN CA C 13 53.49 . . 1 . . . . . . . . 4560 1 128 . 1 1 12 12 ASN CB C 13 39.00 . . 1 . . . . . . . . 4560 1 129 . 1 1 12 12 ASN CG C 13 176.03 . . 1 . . . . . . . . 4560 1 130 . 1 1 12 12 ASN N N 15 120.43 . . 1 . . . . . . . . 4560 1 131 . 1 1 12 12 ASN ND2 N 15 112.13 . . 1 . . . . . . . . 4560 1 132 . 1 1 13 13 VAL H H 1 9.15 . . 1 . . . . . . . . 4560 1 133 . 1 1 13 13 VAL HA H 1 4.60 . . 1 . . . . . . . . 4560 1 134 . 1 1 13 13 VAL HB H 1 2.29 . . 1 . . . . . . . . 4560 1 135 . 1 1 13 13 VAL HG11 H 1 0.84 . . 1 . . . . . . . . 4560 1 136 . 1 1 13 13 VAL HG12 H 1 0.84 . . 1 . . . . . . . . 4560 1 137 . 1 1 13 13 VAL HG13 H 1 0.84 . . 1 . . . . . . . . 4560 1 138 . 1 1 13 13 VAL HG21 H 1 0.73 . . 1 . . . . . . . . 4560 1 139 . 1 1 13 13 VAL HG22 H 1 0.73 . . 1 . . . . . . . . 4560 1 140 . 1 1 13 13 VAL HG23 H 1 0.73 . . 1 . . . . . . . . 4560 1 141 . 1 1 13 13 VAL C C 13 173.73 . . 1 . . . . . . . . 4560 1 142 . 1 1 13 13 VAL CA C 13 59.25 . . 1 . . . . . . . . 4560 1 143 . 1 1 13 13 VAL CB C 13 35.21 . . 1 . . . . . . . . 4560 1 144 . 1 1 13 13 VAL CG1 C 13 22.54 . . 1 . . . . . . . . 4560 1 145 . 1 1 13 13 VAL CG2 C 13 17.79 . . 1 . . . . . . . . 4560 1 146 . 1 1 13 13 VAL N N 15 116.75 . . 1 . . . . . . . . 4560 1 147 . 1 1 14 14 GLY H H 1 8.23 . . 1 . . . . . . . . 4560 1 148 . 1 1 14 14 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4560 1 149 . 1 1 14 14 GLY HA3 H 1 4.60 . . 2 . . . . . . . . 4560 1 150 . 1 1 14 14 GLY CA C 13 44.58 . . 1 . . . . . . . . 4560 1 151 . 1 1 14 14 GLY N N 15 104.45 . . 1 . . . . . . . . 4560 1 152 . 1 1 15 15 PRO HA H 1 4.38 . . 1 . . . . . . . . 4560 1 153 . 1 1 15 15 PRO HB2 H 1 1.82 . . 2 . . . . . . . . 4560 1 154 . 1 1 15 15 PRO HB3 H 1 1.94 . . 2 . . . . . . . . 4560 1 155 . 1 1 15 15 PRO HG2 H 1 1.60 . . 2 . . . . . . . . 4560 1 156 . 1 1 15 15 PRO HG3 H 1 1.82 . . 2 . . . . . . . . 4560 1 157 . 1 1 15 15 PRO HD2 H 1 3.60 . . 1 . . . . . . . . 4560 1 158 . 1 1 15 15 PRO HD3 H 1 3.60 . . 1 . . . . . . . . 4560 1 159 . 1 1 15 15 PRO C C 13 173.43 . . 1 . . . . . . . . 4560 1 160 . 1 1 15 15 PRO CA C 13 62.33 . . 1 . . . . . . . . 4560 1 161 . 1 1 15 15 PRO CB C 13 34.29 . . 1 . . . . . . . . 4560 1 162 . 1 1 15 15 PRO CG C 13 25.46 . . 1 . . . . . . . . 4560 1 163 . 1 1 15 15 PRO CD C 13 49.10 . . 1 . . . . . . . . 4560 1 164 . 1 1 16 16 ILE H H 1 8.06 . . 1 . . . . . . . . 4560 1 165 . 1 1 16 16 ILE HA H 1 4.82 . . 1 . . . . . . . . 4560 1 166 . 1 1 16 16 ILE HB H 1 1.62 . . 1 . . . . . . . . 4560 1 167 . 1 1 16 16 ILE HG12 H 1 0.80 . . 2 . . . . . . . . 4560 1 168 . 1 1 16 16 ILE HG13 H 1 1.43 . . 2 . . . . . . . . 4560 1 169 . 1 1 16 16 ILE HG21 H 1 0.61 . . 1 . . . . . . . . 4560 1 170 . 1 1 16 16 ILE HG22 H 1 0.61 . . 1 . . . . . . . . 4560 1 171 . 1 1 16 16 ILE HG23 H 1 0.61 . . 1 . . . . . . . . 4560 1 172 . 1 1 16 16 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4560 1 173 . 1 1 16 16 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4560 1 174 . 1 1 16 16 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4560 1 175 . 1 1 16 16 ILE C C 13 175.33 . . 1 . . . . . . . . 4560 1 176 . 1 1 16 16 ILE CA C 13 61.67 . . 1 . . . . . . . . 4560 1 177 . 1 1 16 16 ILE CB C 13 37.32 . . 1 . . . . . . . . 4560 1 178 . 1 1 16 16 ILE CG1 C 13 28.74 . . 1 . . . . . . . . 4560 1 179 . 1 1 16 16 ILE CG2 C 13 19.27 . . 1 . . . . . . . . 4560 1 180 . 1 1 16 16 ILE CD1 C 13 13.46 . . 1 . . . . . . . . 4560 1 181 . 1 1 16 16 ILE N N 15 119.85 . . 1 . . . . . . . . 4560 1 182 . 1 1 17 17 ILE H H 1 9.00 . . 1 . . . . . . . . 4560 1 183 . 1 1 17 17 ILE HA H 1 5.03 . . 1 . . . . . . . . 4560 1 184 . 1 1 17 17 ILE HB H 1 1.83 . . 1 . . . . . . . . 4560 1 185 . 1 1 17 17 ILE HG12 H 1 1.38 . . 2 . . . . . . . . 4560 1 186 . 1 1 17 17 ILE HG13 H 1 1.53 . . 2 . . . . . . . . 4560 1 187 . 1 1 17 17 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 4560 1 188 . 1 1 17 17 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 4560 1 189 . 1 1 17 17 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 4560 1 190 . 1 1 17 17 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 4560 1 191 . 1 1 17 17 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 4560 1 192 . 1 1 17 17 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 4560 1 193 . 1 1 17 17 ILE C C 13 175.53 . . 1 . . . . . . . . 4560 1 194 . 1 1 17 17 ILE CA C 13 58.49 . . 1 . . . . . . . . 4560 1 195 . 1 1 17 17 ILE CB C 13 40.82 . . 1 . . . . . . . . 4560 1 196 . 1 1 17 17 ILE CG1 C 13 27.41 . . 1 . . . . . . . . 4560 1 197 . 1 1 17 17 ILE CG2 C 13 17.30 . . 1 . . . . . . . . 4560 1 198 . 1 1 17 17 ILE CD1 C 13 13.48 . . 1 . . . . . . . . 4560 1 199 . 1 1 17 17 ILE N N 15 126.65 . . 1 . . . . . . . . 4560 1 200 . 1 1 18 18 ARG H H 1 8.71 . . 1 . . . . . . . . 4560 1 201 . 1 1 18 18 ARG HA H 1 4.29 . . 1 . . . . . . . . 4560 1 202 . 1 1 18 18 ARG HB2 H 1 1.99 . . 1 . . . . . . . . 4560 1 203 . 1 1 18 18 ARG HB3 H 1 1.99 . . 1 . . . . . . . . 4560 1 204 . 1 1 18 18 ARG HG2 H 1 1.85 . . 1 . . . . . . . . 4560 1 205 . 1 1 18 18 ARG HG3 H 1 1.85 . . 1 . . . . . . . . 4560 1 206 . 1 1 18 18 ARG HD2 H 1 3.38 . . 1 . . . . . . . . 4560 1 207 . 1 1 18 18 ARG HD3 H 1 3.38 . . 1 . . . . . . . . 4560 1 208 . 1 1 18 18 ARG HE H 1 7.76 . . 1 . . . . . . . . 4560 1 209 . 1 1 18 18 ARG C C 13 174.63 . . 1 . . . . . . . . 4560 1 210 . 1 1 18 18 ARG CA C 13 57.61 . . 1 . . . . . . . . 4560 1 211 . 1 1 18 18 ARG CB C 13 36.87 . . 1 . . . . . . . . 4560 1 212 . 1 1 18 18 ARG CG C 13 28.49 . . 1 . . . . . . . . 4560 1 213 . 1 1 18 18 ARG CD C 13 43.50 . . 1 . . . . . . . . 4560 1 214 . 1 1 18 18 ARG CZ C 13 158.85 . . 1 . . . . . . . . 4560 1 215 . 1 1 18 18 ARG N N 15 126.05 . . 1 . . . . . . . . 4560 1 216 . 1 1 18 18 ARG NE N 15 85.02 . . 1 . . . . . . . . 4560 1 217 . 1 1 19 19 ALA H H 1 7.52 . . 1 . . . . . . . . 4560 1 218 . 1 1 19 19 ALA HA H 1 4.01 . . 1 . . . . . . . . 4560 1 219 . 1 1 19 19 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 4560 1 220 . 1 1 19 19 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 4560 1 221 . 1 1 19 19 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 4560 1 222 . 1 1 19 19 ALA C C 13 177.03 . . 1 . . . . . . . . 4560 1 223 . 1 1 19 19 ALA CA C 13 53.20 . . 1 . . . . . . . . 4560 1 224 . 1 1 19 19 ALA CB C 13 18.48 . . 1 . . . . . . . . 4560 1 225 . 1 1 19 19 ALA N N 15 124.45 . . 1 . . . . . . . . 4560 1 226 . 1 1 20 20 GLY H H 1 7.89 . . 1 . . . . . . . . 4560 1 227 . 1 1 20 20 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4560 1 228 . 1 1 20 20 GLY HA3 H 1 4.60 . . 2 . . . . . . . . 4560 1 229 . 1 1 20 20 GLY C C 13 174.83 . . 1 . . . . . . . . 4560 1 230 . 1 1 20 20 GLY CA C 13 45.26 . . 1 . . . . . . . . 4560 1 231 . 1 1 20 20 GLY N N 15 110.65 . . 1 . . . . . . . . 4560 1 232 . 1 1 21 21 ASP H H 1 8.65 . . 1 . . . . . . . . 4560 1 233 . 1 1 21 21 ASP HA H 1 4.39 . . 1 . . . . . . . . 4560 1 234 . 1 1 21 21 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4560 1 235 . 1 1 21 21 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 4560 1 236 . 1 1 21 21 ASP C C 13 176.75 . . 1 . . . . . . . . 4560 1 237 . 1 1 21 21 ASP CA C 13 56.46 . . 1 . . . . . . . . 4560 1 238 . 1 1 21 21 ASP CB C 13 40.90 . . 1 . . . . . . . . 4560 1 239 . 1 1 21 21 ASP N N 15 120.45 . . 1 . . . . . . . . 4560 1 240 . 1 1 22 22 LEU H H 1 8.37 . . 1 . . . . . . . . 4560 1 241 . 1 1 22 22 LEU HA H 1 4.39 . . 1 . . . . . . . . 4560 1 242 . 1 1 22 22 LEU HB2 H 1 1.79 . . 1 . . . . . . . . 4560 1 243 . 1 1 22 22 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 4560 1 244 . 1 1 22 22 LEU HG H 1 1.84 . . 1 . . . . . . . . 4560 1 245 . 1 1 22 22 LEU HD11 H 1 0.90 . . 2 . . . . . . . . 4560 1 246 . 1 1 22 22 LEU HD12 H 1 0.90 . . 2 . . . . . . . . 4560 1 247 . 1 1 22 22 LEU HD13 H 1 0.90 . . 2 . . . . . . . . 4560 1 248 . 1 1 22 22 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4560 1 249 . 1 1 22 22 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4560 1 250 . 1 1 22 22 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4560 1 251 . 1 1 22 22 LEU C C 13 177.33 . . 1 . . . . . . . . 4560 1 252 . 1 1 22 22 LEU CA C 13 55.10 . . 1 . . . . . . . . 4560 1 253 . 1 1 22 22 LEU CB C 13 42.58 . . 1 . . . . . . . . 4560 1 254 . 1 1 22 22 LEU CG C 13 27.59 . . 1 . . . . . . . . 4560 1 255 . 1 1 22 22 LEU CD1 C 13 24.14 . . 2 . . . . . . . . 4560 1 256 . 1 1 22 22 LEU CD2 C 13 25.20 . . 2 . . . . . . . . 4560 1 257 . 1 1 22 22 LEU N N 15 118.65 . . 1 . . . . . . . . 4560 1 258 . 1 1 23 23 VAL H H 1 7.23 . . 1 . . . . . . . . 4560 1 259 . 1 1 23 23 VAL HA H 1 3.27 . . 1 . . . . . . . . 4560 1 260 . 1 1 23 23 VAL HB H 1 2.23 . . 1 . . . . . . . . 4560 1 261 . 1 1 23 23 VAL HG11 H 1 0.97 . . 1 . . . . . . . . 4560 1 262 . 1 1 23 23 VAL HG12 H 1 0.97 . . 1 . . . . . . . . 4560 1 263 . 1 1 23 23 VAL HG13 H 1 0.97 . . 1 . . . . . . . . 4560 1 264 . 1 1 23 23 VAL HG21 H 1 1.13 . . 1 . . . . . . . . 4560 1 265 . 1 1 23 23 VAL HG22 H 1 1.13 . . 1 . . . . . . . . 4560 1 266 . 1 1 23 23 VAL HG23 H 1 1.13 . . 1 . . . . . . . . 4560 1 267 . 1 1 23 23 VAL C C 13 176.53 . . 1 . . . . . . . . 4560 1 268 . 1 1 23 23 VAL CA C 13 68.79 . . 1 . . . . . . . . 4560 1 269 . 1 1 23 23 VAL CB C 13 31.80 . . 1 . . . . . . . . 4560 1 270 . 1 1 23 23 VAL CG1 C 13 22.02 . . 1 . . . . . . . . 4560 1 271 . 1 1 23 23 VAL CG2 C 13 24.15 . . 1 . . . . . . . . 4560 1 272 . 1 1 23 23 VAL N N 15 118.95 . . 1 . . . . . . . . 4560 1 273 . 1 1 24 24 GLU H H 1 8.82 . . 1 . . . . . . . . 4560 1 274 . 1 1 24 24 GLU HA H 1 4.22 . . 1 . . . . . . . . 4560 1 275 . 1 1 24 24 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 4560 1 276 . 1 1 24 24 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 4560 1 277 . 1 1 24 24 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4560 1 278 . 1 1 24 24 GLU HG3 H 1 2.42 . . 2 . . . . . . . . 4560 1 279 . 1 1 24 24 GLU CA C 13 61.63 . . 1 . . . . . . . . 4560 1 280 . 1 1 24 24 GLU CB C 13 26.50 . . 1 . . . . . . . . 4560 1 281 . 1 1 24 24 GLU CG C 13 36.64 . . 1 . . . . . . . . 4560 1 282 . 1 1 24 24 GLU N N 15 118.02 . . 1 . . . . . . . . 4560 1 283 . 1 1 25 25 PRO HA H 1 4.42 . . 1 . . . . . . . . 4560 1 284 . 1 1 25 25 PRO HB2 H 1 1.59 . . 2 . . . . . . . . 4560 1 285 . 1 1 25 25 PRO HB3 H 1 2.00 . . 2 . . . . . . . . 4560 1 286 . 1 1 25 25 PRO HG2 H 1 2.07 . . 2 . . . . . . . . 4560 1 287 . 1 1 25 25 PRO HG3 H 1 2.23 . . 2 . . . . . . . . 4560 1 288 . 1 1 25 25 PRO HD2 H 1 3.63 . . 2 . . . . . . . . 4560 1 289 . 1 1 25 25 PRO HD3 H 1 3.77 . . 2 . . . . . . . . 4560 1 290 . 1 1 25 25 PRO C C 13 179.73 . . 1 . . . . . . . . 4560 1 291 . 1 1 25 25 PRO CA C 13 66.28 . . 1 . . . . . . . . 4560 1 292 . 1 1 25 25 PRO CB C 13 31.23 . . 1 . . . . . . . . 4560 1 293 . 1 1 25 25 PRO CG C 13 28.23 . . 1 . . . . . . . . 4560 1 294 . 1 1 25 25 PRO CD C 13 49.71 . . 1 . . . . . . . . 4560 1 295 . 1 1 26 26 VAL H H 1 8.09 . . 1 . . . . . . . . 4560 1 296 . 1 1 26 26 VAL HA H 1 3.54 . . 1 . . . . . . . . 4560 1 297 . 1 1 26 26 VAL HB H 1 2.34 . . 1 . . . . . . . . 4560 1 298 . 1 1 26 26 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 4560 1 299 . 1 1 26 26 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 4560 1 300 . 1 1 26 26 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 4560 1 301 . 1 1 26 26 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4560 1 302 . 1 1 26 26 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4560 1 303 . 1 1 26 26 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4560 1 304 . 1 1 26 26 VAL C C 13 176.73 . . 1 . . . . . . . . 4560 1 305 . 1 1 26 26 VAL CA C 13 67.87 . . 1 . . . . . . . . 4560 1 306 . 1 1 26 26 VAL CB C 13 30.32 . . 1 . . . . . . . . 4560 1 307 . 1 1 26 26 VAL CG1 C 13 22.36 . . 1 . . . . . . . . 4560 1 308 . 1 1 26 26 VAL CG2 C 13 25.34 . . 1 . . . . . . . . 4560 1 309 . 1 1 26 26 VAL N N 15 122.05 . . 1 . . . . . . . . 4560 1 310 . 1 1 27 27 ILE H H 1 8.52 . . 1 . . . . . . . . 4560 1 311 . 1 1 27 27 ILE HA H 1 3.39 . . 1 . . . . . . . . 4560 1 312 . 1 1 27 27 ILE HB H 1 2.00 . . 1 . . . . . . . . 4560 1 313 . 1 1 27 27 ILE HG12 H 1 0.72 . . 1 . . . . . . . . 4560 1 314 . 1 1 27 27 ILE HG13 H 1 0.72 . . 1 . . . . . . . . 4560 1 315 . 1 1 27 27 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4560 1 316 . 1 1 27 27 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4560 1 317 . 1 1 27 27 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4560 1 318 . 1 1 27 27 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4560 1 319 . 1 1 27 27 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4560 1 320 . 1 1 27 27 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4560 1 321 . 1 1 27 27 ILE C C 13 178.03 . . 1 . . . . . . . . 4560 1 322 . 1 1 27 27 ILE CA C 13 67.29 . . 1 . . . . . . . . 4560 1 323 . 1 1 27 27 ILE CB C 13 38.30 . . 1 . . . . . . . . 4560 1 324 . 1 1 27 27 ILE CG1 C 13 29.67 . . 1 . . . . . . . . 4560 1 325 . 1 1 27 27 ILE CG2 C 13 16.62 . . 1 . . . . . . . . 4560 1 326 . 1 1 27 27 ILE CD1 C 13 15.66 . . 1 . . . . . . . . 4560 1 327 . 1 1 27 27 ILE N N 15 124.15 . . 1 . . . . . . . . 4560 1 328 . 1 1 28 28 GLU H H 1 8.24 . . 1 . . . . . . . . 4560 1 329 . 1 1 28 28 GLU HA H 1 4.05 . . 1 . . . . . . . . 4560 1 330 . 1 1 28 28 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 4560 1 331 . 1 1 28 28 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4560 1 332 . 1 1 28 28 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 4560 1 333 . 1 1 28 28 GLU HG3 H 1 2.48 . . 2 . . . . . . . . 4560 1 334 . 1 1 28 28 GLU C C 13 179.73 . . 1 . . . . . . . . 4560 1 335 . 1 1 28 28 GLU CA C 13 59.05 . . 1 . . . . . . . . 4560 1 336 . 1 1 28 28 GLU CB C 13 29.47 . . 1 . . . . . . . . 4560 1 337 . 1 1 28 28 GLU CG C 13 35.55 . . 1 . . . . . . . . 4560 1 338 . 1 1 28 28 GLU N N 15 117.75 . . 1 . . . . . . . . 4560 1 339 . 1 1 29 29 THR H H 1 8.11 . . 1 . . . . . . . . 4560 1 340 . 1 1 29 29 THR HA H 1 3.81 . . 1 . . . . . . . . 4560 1 341 . 1 1 29 29 THR HB H 1 4.28 . . 1 . . . . . . . . 4560 1 342 . 1 1 29 29 THR HG21 H 1 1.34 . . 1 . . . . . . . . 4560 1 343 . 1 1 29 29 THR HG22 H 1 1.34 . . 1 . . . . . . . . 4560 1 344 . 1 1 29 29 THR HG23 H 1 1.34 . . 1 . . . . . . . . 4560 1 345 . 1 1 29 29 THR C C 13 175.23 . . 1 . . . . . . . . 4560 1 346 . 1 1 29 29 THR CA C 13 67.18 . . 1 . . . . . . . . 4560 1 347 . 1 1 29 29 THR CB C 13 66.87 . . 1 . . . . . . . . 4560 1 348 . 1 1 29 29 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4560 1 349 . 1 1 29 29 THR N N 15 117.35 . . 1 . . . . . . . . 4560 1 350 . 1 1 30 30 ALA H H 1 8.87 . . 1 . . . . . . . . 4560 1 351 . 1 1 30 30 ALA HA H 1 3.86 . . 1 . . . . . . . . 4560 1 352 . 1 1 30 30 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 4560 1 353 . 1 1 30 30 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 4560 1 354 . 1 1 30 30 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 4560 1 355 . 1 1 30 30 ALA C C 13 179.93 . . 1 . . . . . . . . 4560 1 356 . 1 1 30 30 ALA CA C 13 54.83 . . 1 . . . . . . . . 4560 1 357 . 1 1 30 30 ALA CB C 13 17.63 . . 1 . . . . . . . . 4560 1 358 . 1 1 30 30 ALA N N 15 124.75 . . 1 . . . . . . . . 4560 1 359 . 1 1 31 31 GLU H H 1 7.93 . . 1 . . . . . . . . 4560 1 360 . 1 1 31 31 GLU HA H 1 4.16 . . 1 . . . . . . . . 4560 1 361 . 1 1 31 31 GLU HB2 H 1 2.32 . . 1 . . . . . . . . 4560 1 362 . 1 1 31 31 GLU HB3 H 1 2.10 . . 1 . . . . . . . . 4560 1 363 . 1 1 31 31 GLU HG2 H 1 2.24 . . 2 . . . . . . . . 4560 1 364 . 1 1 31 31 GLU HG3 H 1 2.60 . . 2 . . . . . . . . 4560 1 365 . 1 1 31 31 GLU C C 13 179.53 . . 1 . . . . . . . . 4560 1 366 . 1 1 31 31 GLU CA C 13 59.30 . . 1 . . . . . . . . 4560 1 367 . 1 1 31 31 GLU CB C 13 29.63 . . 1 . . . . . . . . 4560 1 368 . 1 1 31 31 GLU CG C 13 36.36 . . 1 . . . . . . . . 4560 1 369 . 1 1 31 31 GLU N N 15 117.05 . . 1 . . . . . . . . 4560 1 370 . 1 1 32 32 ILE H H 1 8.09 . . 1 . . . . . . . . 4560 1 371 . 1 1 32 32 ILE HA H 1 3.66 . . 1 . . . . . . . . 4560 1 372 . 1 1 32 32 ILE HB H 1 1.77 . . 1 . . . . . . . . 4560 1 373 . 1 1 32 32 ILE HG12 H 1 1.85 . . 1 . . . . . . . . 4560 1 374 . 1 1 32 32 ILE HG13 H 1 1.85 . . 1 . . . . . . . . 4560 1 375 . 1 1 32 32 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 4560 1 376 . 1 1 32 32 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 4560 1 377 . 1 1 32 32 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 4560 1 378 . 1 1 32 32 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 4560 1 379 . 1 1 32 32 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 4560 1 380 . 1 1 32 32 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 4560 1 381 . 1 1 32 32 ILE C C 13 178.33 . . 1 . . . . . . . . 4560 1 382 . 1 1 32 32 ILE CA C 13 64.98 . . 1 . . . . . . . . 4560 1 383 . 1 1 32 32 ILE CB C 13 39.45 . . 1 . . . . . . . . 4560 1 384 . 1 1 32 32 ILE CG1 C 13 29.68 . . 1 . . . . . . . . 4560 1 385 . 1 1 32 32 ILE CG2 C 13 17.32 . . 1 . . . . . . . . 4560 1 386 . 1 1 32 32 ILE CD1 C 13 14.29 . . 1 . . . . . . . . 4560 1 387 . 1 1 32 32 ILE N N 15 121.75 . . 1 . . . . . . . . 4560 1 388 . 1 1 33 33 ASP H H 1 9.07 . . 1 . . . . . . . . 4560 1 389 . 1 1 33 33 ASP HA H 1 4.73 . . 1 . . . . . . . . 4560 1 390 . 1 1 33 33 ASP HB2 H 1 3.00 . . 1 . . . . . . . . 4560 1 391 . 1 1 33 33 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 4560 1 392 . 1 1 33 33 ASP C C 13 175.63 . . 1 . . . . . . . . 4560 1 393 . 1 1 33 33 ASP CA C 13 55.55 . . 1 . . . . . . . . 4560 1 394 . 1 1 33 33 ASP CB C 13 40.99 . . 1 . . . . . . . . 4560 1 395 . 1 1 33 33 ASP N N 15 117.35 . . 1 . . . . . . . . 4560 1 396 . 1 1 34 34 ASN H H 1 7.04 . . 1 . . . . . . . . 4560 1 397 . 1 1 34 34 ASN HA H 1 5.33 . . 1 . . . . . . . . 4560 1 398 . 1 1 34 34 ASN HB2 H 1 2.29 . . 1 . . . . . . . . 4560 1 399 . 1 1 34 34 ASN HB3 H 1 3.10 . . 1 . . . . . . . . 4560 1 400 . 1 1 34 34 ASN HD21 H 1 9.30 . . 2 . . . . . . . . 4560 1 401 . 1 1 34 34 ASN HD22 H 1 9.50 . . 2 . . . . . . . . 4560 1 402 . 1 1 34 34 ASN CA C 13 51.23 . . 1 . . . . . . . . 4560 1 403 . 1 1 34 34 ASN CB C 13 39.65 . . 1 . . . . . . . . 4560 1 404 . 1 1 34 34 ASN CG C 13 179.43 . . 1 . . . . . . . . 4560 1 405 . 1 1 34 34 ASN N N 15 116.75 . . 1 . . . . . . . . 4560 1 406 . 1 1 34 34 ASN ND2 N 15 122.05 . . 1 . . . . . . . . 4560 1 407 . 1 1 35 35 PRO HA H 1 4.56 . . 1 . . . . . . . . 4560 1 408 . 1 1 35 35 PRO HB2 H 1 2.08 . . 2 . . . . . . . . 4560 1 409 . 1 1 35 35 PRO HB3 H 1 2.39 . . 2 . . . . . . . . 4560 1 410 . 1 1 35 35 PRO HG2 H 1 2.11 . . 1 . . . . . . . . 4560 1 411 . 1 1 35 35 PRO HG3 H 1 2.11 . . 1 . . . . . . . . 4560 1 412 . 1 1 35 35 PRO HD2 H 1 3.63 . . 1 . . . . . . . . 4560 1 413 . 1 1 35 35 PRO HD3 H 1 3.63 . . 1 . . . . . . . . 4560 1 414 . 1 1 35 35 PRO C C 13 178.73 . . 1 . . . . . . . . 4560 1 415 . 1 1 35 35 PRO CA C 13 63.98 . . 1 . . . . . . . . 4560 1 416 . 1 1 35 35 PRO CB C 13 31.80 . . 1 . . . . . . . . 4560 1 417 . 1 1 35 35 PRO CG C 13 27.56 . . 1 . . . . . . . . 4560 1 418 . 1 1 35 35 PRO CD C 13 50.49 . . 1 . . . . . . . . 4560 1 419 . 1 1 36 36 GLY H H 1 8.97 . . 1 . . . . . . . . 4560 1 420 . 1 1 36 36 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4560 1 421 . 1 1 36 36 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 4560 1 422 . 1 1 36 36 GLY C C 13 173.93 . . 1 . . . . . . . . 4560 1 423 . 1 1 36 36 GLY CA C 13 45.54 . . 1 . . . . . . . . 4560 1 424 . 1 1 36 36 GLY N N 15 111.55 . . 1 . . . . . . . . 4560 1 425 . 1 1 37 37 LYS H H 1 7.68 . . 1 . . . . . . . . 4560 1 426 . 1 1 37 37 LYS HA H 1 4.70 . . 1 . . . . . . . . 4560 1 427 . 1 1 37 37 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4560 1 428 . 1 1 37 37 LYS HB3 H 1 1.90 . . 1 . . . . . . . . 4560 1 429 . 1 1 37 37 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4560 1 430 . 1 1 37 37 LYS HG3 H 1 1.58 . . 2 . . . . . . . . 4560 1 431 . 1 1 37 37 LYS HD2 H 1 1.88 . . 2 . . . . . . . . 4560 1 432 . 1 1 37 37 LYS HD3 H 1 1.96 . . 2 . . . . . . . . 4560 1 433 . 1 1 37 37 LYS HE2 H 1 3.33 . . 1 . . . . . . . . 4560 1 434 . 1 1 37 37 LYS HE3 H 1 3.33 . . 1 . . . . . . . . 4560 1 435 . 1 1 37 37 LYS C C 13 175.53 . . 1 . . . . . . . . 4560 1 436 . 1 1 37 37 LYS CA C 13 54.37 . . 1 . . . . . . . . 4560 1 437 . 1 1 37 37 LYS CB C 13 33.86 . . 1 . . . . . . . . 4560 1 438 . 1 1 37 37 LYS CG C 13 24.61 . . 1 . . . . . . . . 4560 1 439 . 1 1 37 37 LYS CD C 13 29.38 . . 1 . . . . . . . . 4560 1 440 . 1 1 37 37 LYS CE C 13 42.56 . . 1 . . . . . . . . 4560 1 441 . 1 1 37 37 LYS N N 15 120.15 . . 1 . . . . . . . . 4560 1 442 . 1 1 38 38 GLU H H 1 8.30 . . 1 . . . . . . . . 4560 1 443 . 1 1 38 38 GLU HA H 1 4.43 . . 1 . . . . . . . . 4560 1 444 . 1 1 38 38 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4560 1 445 . 1 1 38 38 GLU HB3 H 1 2.30 . . 2 . . . . . . . . 4560 1 446 . 1 1 38 38 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 4560 1 447 . 1 1 38 38 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4560 1 448 . 1 1 38 38 GLU C C 13 176.03 . . 1 . . . . . . . . 4560 1 449 . 1 1 38 38 GLU CA C 13 56.20 . . 1 . . . . . . . . 4560 1 450 . 1 1 38 38 GLU CB C 13 29.96 . . 1 . . . . . . . . 4560 1 451 . 1 1 38 38 GLU CG C 13 36.22 . . 1 . . . . . . . . 4560 1 452 . 1 1 38 38 GLU N N 15 123.25 . . 1 . . . . . . . . 4560 1 453 . 1 1 39 39 ILE H H 1 8.98 . . 1 . . . . . . . . 4560 1 454 . 1 1 39 39 ILE HA H 1 4.80 . . 1 . . . . . . . . 4560 1 455 . 1 1 39 39 ILE HB H 1 2.15 . . 1 . . . . . . . . 4560 1 456 . 1 1 39 39 ILE HG12 H 1 1.19 . . 2 . . . . . . . . 4560 1 457 . 1 1 39 39 ILE HG13 H 1 1.76 . . 2 . . . . . . . . 4560 1 458 . 1 1 39 39 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4560 1 459 . 1 1 39 39 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4560 1 460 . 1 1 39 39 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4560 1 461 . 1 1 39 39 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4560 1 462 . 1 1 39 39 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4560 1 463 . 1 1 39 39 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4560 1 464 . 1 1 39 39 ILE C C 13 176.93 . . 1 . . . . . . . . 4560 1 465 . 1 1 39 39 ILE CA C 13 58.26 . . 1 . . . . . . . . 4560 1 466 . 1 1 39 39 ILE CB C 13 36.73 . . 1 . . . . . . . . 4560 1 467 . 1 1 39 39 ILE CG1 C 13 27.07 . . 1 . . . . . . . . 4560 1 468 . 1 1 39 39 ILE CG2 C 13 17.72 . . 1 . . . . . . . . 4560 1 469 . 1 1 39 39 ILE CD1 C 13 10.49 . . 1 . . . . . . . . 4560 1 470 . 1 1 39 39 ILE N N 15 130.35 . . 1 . . . . . . . . 4560 1 471 . 1 1 40 40 THR H H 1 9.49 . . 1 . . . . . . . . 4560 1 472 . 1 1 40 40 THR HA H 1 4.47 . . 1 . . . . . . . . 4560 1 473 . 1 1 40 40 THR HB H 1 3.94 . . 1 . . . . . . . . 4560 1 474 . 1 1 40 40 THR HG21 H 1 1.11 . . 1 . . . . . . . . 4560 1 475 . 1 1 40 40 THR HG22 H 1 1.11 . . 1 . . . . . . . . 4560 1 476 . 1 1 40 40 THR HG23 H 1 1.11 . . 1 . . . . . . . . 4560 1 477 . 1 1 40 40 THR C C 13 172.93 . . 1 . . . . . . . . 4560 1 478 . 1 1 40 40 THR CA C 13 62.25 . . 1 . . . . . . . . 4560 1 479 . 1 1 40 40 THR CB C 13 70.24 . . 1 . . . . . . . . 4560 1 480 . 1 1 40 40 THR CG2 C 13 21.03 . . 1 . . . . . . . . 4560 1 481 . 1 1 40 40 THR N N 15 126.35 . . 1 . . . . . . . . 4560 1 482 . 1 1 41 41 VAL H H 1 8.53 . . 1 . . . . . . . . 4560 1 483 . 1 1 41 41 VAL HA H 1 4.85 . . 1 . . . . . . . . 4560 1 484 . 1 1 41 41 VAL HB H 1 1.95 . . 1 . . . . . . . . 4560 1 485 . 1 1 41 41 VAL HG11 H 1 0.80 . . 1 . . . . . . . . 4560 1 486 . 1 1 41 41 VAL HG12 H 1 0.80 . . 1 . . . . . . . . 4560 1 487 . 1 1 41 41 VAL HG13 H 1 0.80 . . 1 . . . . . . . . 4560 1 488 . 1 1 41 41 VAL HG21 H 1 0.93 . . 1 . . . . . . . . 4560 1 489 . 1 1 41 41 VAL HG22 H 1 0.93 . . 1 . . . . . . . . 4560 1 490 . 1 1 41 41 VAL HG23 H 1 0.93 . . 1 . . . . . . . . 4560 1 491 . 1 1 41 41 VAL C C 13 175.73 . . 1 . . . . . . . . 4560 1 492 . 1 1 41 41 VAL CA C 13 61.08 . . 1 . . . . . . . . 4560 1 493 . 1 1 41 41 VAL CB C 13 34.29 . . 1 . . . . . . . . 4560 1 494 . 1 1 41 41 VAL CG1 C 13 21.57 . . 1 . . . . . . . . 4560 1 495 . 1 1 41 41 VAL CG2 C 13 21.57 . . 1 . . . . . . . . 4560 1 496 . 1 1 41 41 VAL N N 15 127.25 . . 1 . . . . . . . . 4560 1 497 . 1 1 42 42 GLU H H 1 9.27 . . 1 . . . . . . . . 4560 1 498 . 1 1 42 42 GLU HA H 1 4.69 . . 1 . . . . . . . . 4560 1 499 . 1 1 42 42 GLU HB2 H 1 2.04 . . 1 . . . . . . . . 4560 1 500 . 1 1 42 42 GLU HB3 H 1 1.86 . . 1 . . . . . . . . 4560 1 501 . 1 1 42 42 GLU HG2 H 1 1.97 . . 2 . . . . . . . . 4560 1 502 . 1 1 42 42 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4560 1 503 . 1 1 42 42 GLU C C 13 174.13 . . 1 . . . . . . . . 4560 1 504 . 1 1 42 42 GLU CA C 13 54.48 . . 1 . . . . . . . . 4560 1 505 . 1 1 42 42 GLU CB C 13 32.49 . . 1 . . . . . . . . 4560 1 506 . 1 1 42 42 GLU CG C 13 36.15 . . 1 . . . . . . . . 4560 1 507 . 1 1 42 42 GLU N N 15 130.05 . . 1 . . . . . . . . 4560 1 508 . 1 1 43 43 ASP H H 1 9.14 . . 1 . . . . . . . . 4560 1 509 . 1 1 43 43 ASP HA H 1 4.69 . . 1 . . . . . . . . 4560 1 510 . 1 1 43 43 ASP HB2 H 1 2.98 . . 1 . . . . . . . . 4560 1 511 . 1 1 43 43 ASP HB3 H 1 2.53 . . 1 . . . . . . . . 4560 1 512 . 1 1 43 43 ASP C C 13 176.33 . . 1 . . . . . . . . 4560 1 513 . 1 1 43 43 ASP CA C 13 54.58 . . 1 . . . . . . . . 4560 1 514 . 1 1 43 43 ASP CB C 13 41.21 . . 1 . . . . . . . . 4560 1 515 . 1 1 43 43 ASP N N 15 128.75 . . 1 . . . . . . . . 4560 1 516 . 1 1 44 44 ARG H H 1 8.50 . . 1 . . . . . . . . 4560 1 517 . 1 1 44 44 ARG HA H 1 4.71 . . 1 . . . . . . . . 4560 1 518 . 1 1 44 44 ARG HB2 H 1 2.03 . . 1 . . . . . . . . 4560 1 519 . 1 1 44 44 ARG HB3 H 1 1.20 . . 1 . . . . . . . . 4560 1 520 . 1 1 44 44 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 4560 1 521 . 1 1 44 44 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 4560 1 522 . 1 1 44 44 ARG HD2 H 1 3.07 . . 2 . . . . . . . . 4560 1 523 . 1 1 44 44 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 4560 1 524 . 1 1 44 44 ARG C C 13 177.33 . . 1 . . . . . . . . 4560 1 525 . 1 1 44 44 ARG CA C 13 54.39 . . 1 . . . . . . . . 4560 1 526 . 1 1 44 44 ARG CB C 13 29.09 . . 1 . . . . . . . . 4560 1 527 . 1 1 44 44 ARG CG C 13 26.73 . . 1 . . . . . . . . 4560 1 528 . 1 1 44 44 ARG CD C 13 43.23 . . 1 . . . . . . . . 4560 1 529 . 1 1 44 44 ARG N N 15 128.45 . . 1 . . . . . . . . 4560 1 530 . 1 1 45 45 ARG H H 1 9.04 . . 1 . . . . . . . . 4560 1 531 . 1 1 45 45 ARG HA H 1 3.80 . . 1 . . . . . . . . 4560 1 532 . 1 1 45 45 ARG HB2 H 1 2.24 . . 1 . . . . . . . . 4560 1 533 . 1 1 45 45 ARG HB3 H 1 2.12 . . 1 . . . . . . . . 4560 1 534 . 1 1 45 45 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 4560 1 535 . 1 1 45 45 ARG HG3 H 1 1.62 . . 2 . . . . . . . . 4560 1 536 . 1 1 45 45 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 4560 1 537 . 1 1 45 45 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 4560 1 538 . 1 1 45 45 ARG C C 13 176.33 . . 1 . . . . . . . . 4560 1 539 . 1 1 45 45 ARG CA C 13 60.99 . . 1 . . . . . . . . 4560 1 540 . 1 1 45 45 ARG CB C 13 27.55 . . 1 . . . . . . . . 4560 1 541 . 1 1 45 45 ARG CG C 13 27.13 . . 1 . . . . . . . . 4560 1 542 . 1 1 45 45 ARG CD C 13 43.04 . . 1 . . . . . . . . 4560 1 543 . 1 1 45 45 ARG N N 15 118.35 . . 1 . . . . . . . . 4560 1 544 . 1 1 46 46 ALA H H 1 8.38 . . 1 . . . . . . . . 4560 1 545 . 1 1 46 46 ALA HA H 1 4.18 . . 1 . . . . . . . . 4560 1 546 . 1 1 46 46 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4560 1 547 . 1 1 46 46 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4560 1 548 . 1 1 46 46 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4560 1 549 . 1 1 46 46 ALA C C 13 176.93 . . 1 . . . . . . . . 4560 1 550 . 1 1 46 46 ALA CA C 13 53.72 . . 1 . . . . . . . . 4560 1 551 . 1 1 46 46 ALA CB C 13 19.44 . . 1 . . . . . . . . 4560 1 552 . 1 1 46 46 ALA N N 15 125.05 . . 1 . . . . . . . . 4560 1 553 . 1 1 47 47 TYR H H 1 7.05 . . 1 . . . . . . . . 4560 1 554 . 1 1 47 47 TYR HA H 1 5.18 . . 1 . . . . . . . . 4560 1 555 . 1 1 47 47 TYR HB2 H 1 2.50 . . 1 . . . . . . . . 4560 1 556 . 1 1 47 47 TYR HB3 H 1 2.94 . . 1 . . . . . . . . 4560 1 557 . 1 1 47 47 TYR HD1 H 1 6.80 . . 1 . . . . . . . . 4560 1 558 . 1 1 47 47 TYR HD2 H 1 6.80 . . 1 . . . . . . . . 4560 1 559 . 1 1 47 47 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 4560 1 560 . 1 1 47 47 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 4560 1 561 . 1 1 47 47 TYR C C 13 173.03 . . 1 . . . . . . . . 4560 1 562 . 1 1 47 47 TYR CA C 13 54.94 . . 1 . . . . . . . . 4560 1 563 . 1 1 47 47 TYR CB C 13 41.55 . . 1 . . . . . . . . 4560 1 564 . 1 1 47 47 TYR CD1 C 13 133.63 . . 1 . . . . . . . . 4560 1 565 . 1 1 47 47 TYR CD2 C 13 133.63 . . 1 . . . . . . . . 4560 1 566 . 1 1 47 47 TYR CE1 C 13 118.03 . . 1 . . . . . . . . 4560 1 567 . 1 1 47 47 TYR CE2 C 13 118.03 . . 1 . . . . . . . . 4560 1 568 . 1 1 47 47 TYR N N 15 113.65 . . 1 . . . . . . . . 4560 1 569 . 1 1 48 48 VAL H H 1 9.32 . . 1 . . . . . . . . 4560 1 570 . 1 1 48 48 VAL HA H 1 4.72 . . 1 . . . . . . . . 4560 1 571 . 1 1 48 48 VAL HB H 1 1.83 . . 1 . . . . . . . . 4560 1 572 . 1 1 48 48 VAL HG11 H 1 0.79 . . 1 . . . . . . . . 4560 1 573 . 1 1 48 48 VAL HG12 H 1 0.79 . . 1 . . . . . . . . 4560 1 574 . 1 1 48 48 VAL HG13 H 1 0.79 . . 1 . . . . . . . . 4560 1 575 . 1 1 48 48 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4560 1 576 . 1 1 48 48 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4560 1 577 . 1 1 48 48 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4560 1 578 . 1 1 48 48 VAL C C 13 174.13 . . 1 . . . . . . . . 4560 1 579 . 1 1 48 48 VAL CA C 13 61.55 . . 1 . . . . . . . . 4560 1 580 . 1 1 48 48 VAL CB C 13 35.08 . . 1 . . . . . . . . 4560 1 581 . 1 1 48 48 VAL CG1 C 13 21.56 . . 1 . . . . . . . . 4560 1 582 . 1 1 48 48 VAL CG2 C 13 21.56 . . 1 . . . . . . . . 4560 1 583 . 1 1 48 48 VAL N N 15 121.05 . . 1 . . . . . . . . 4560 1 584 . 1 1 49 49 ARG H H 1 9.00 . . 1 . . . . . . . . 4560 1 585 . 1 1 49 49 ARG HA H 1 4.82 . . 1 . . . . . . . . 4560 1 586 . 1 1 49 49 ARG HB2 H 1 1.50 . . 2 . . . . . . . . 4560 1 587 . 1 1 49 49 ARG HB3 H 1 2.00 . . 2 . . . . . . . . 4560 1 588 . 1 1 49 49 ARG HG2 H 1 1.15 . . 2 . . . . . . . . 4560 1 589 . 1 1 49 49 ARG HG3 H 1 1.47 . . 2 . . . . . . . . 4560 1 590 . 1 1 49 49 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 4560 1 591 . 1 1 49 49 ARG HD3 H 1 3.13 . . 2 . . . . . . . . 4560 1 592 . 1 1 49 49 ARG HE H 1 7.39 . . 1 . . . . . . . . 4560 1 593 . 1 1 49 49 ARG C C 13 174.03 . . 1 . . . . . . . . 4560 1 594 . 1 1 49 49 ARG CA C 13 55.21 . . 1 . . . . . . . . 4560 1 595 . 1 1 49 49 ARG CB C 13 33.01 . . 1 . . . . . . . . 4560 1 596 . 1 1 49 49 ARG CG C 13 27.38 . . 1 . . . . . . . . 4560 1 597 . 1 1 49 49 ARG CD C 13 43.52 . . 1 . . . . . . . . 4560 1 598 . 1 1 49 49 ARG CZ C 13 159.53 . . 1 . . . . . . . . 4560 1 599 . 1 1 49 49 ARG N N 15 129.45 . . 1 . . . . . . . . 4560 1 600 . 1 1 49 49 ARG NE N 15 84.97 . . 1 . . . . . . . . 4560 1 601 . 1 1 50 50 ILE H H 1 8.27 . . 1 . . . . . . . . 4560 1 602 . 1 1 50 50 ILE HA H 1 4.86 . . 1 . . . . . . . . 4560 1 603 . 1 1 50 50 ILE HB H 1 1.52 . . 1 . . . . . . . . 4560 1 604 . 1 1 50 50 ILE HG12 H 1 0.96 . . 1 . . . . . . . . 4560 1 605 . 1 1 50 50 ILE HG13 H 1 0.96 . . 1 . . . . . . . . 4560 1 606 . 1 1 50 50 ILE HG21 H 1 0.71 . . 1 . . . . . . . . 4560 1 607 . 1 1 50 50 ILE HG22 H 1 0.71 . . 1 . . . . . . . . 4560 1 608 . 1 1 50 50 ILE HG23 H 1 0.71 . . 1 . . . . . . . . 4560 1 609 . 1 1 50 50 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4560 1 610 . 1 1 50 50 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4560 1 611 . 1 1 50 50 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4560 1 612 . 1 1 50 50 ILE C C 13 174.43 . . 1 . . . . . . . . 4560 1 613 . 1 1 50 50 ILE CA C 13 60.54 . . 1 . . . . . . . . 4560 1 614 . 1 1 50 50 ILE CB C 13 40.60 . . 1 . . . . . . . . 4560 1 615 . 1 1 50 50 ILE CG1 C 13 28.69 . . 1 . . . . . . . . 4560 1 616 . 1 1 50 50 ILE CG2 C 13 18.12 . . 1 . . . . . . . . 4560 1 617 . 1 1 50 50 ILE CD1 C 13 16.20 . . 1 . . . . . . . . 4560 1 618 . 1 1 50 50 ILE N N 15 129.75 . . 1 . . . . . . . . 4560 1 619 . 1 1 51 51 ALA H H 1 8.99 . . 1 . . . . . . . . 4560 1 620 . 1 1 51 51 ALA HA H 1 5.42 . . 1 . . . . . . . . 4560 1 621 . 1 1 51 51 ALA HB1 H 1 0.99 . . 1 . . . . . . . . 4560 1 622 . 1 1 51 51 ALA HB2 H 1 0.99 . . 1 . . . . . . . . 4560 1 623 . 1 1 51 51 ALA HB3 H 1 0.99 . . 1 . . . . . . . . 4560 1 624 . 1 1 51 51 ALA C C 13 174.93 . . 1 . . . . . . . . 4560 1 625 . 1 1 51 51 ALA CA C 13 50.27 . . 1 . . . . . . . . 4560 1 626 . 1 1 51 51 ALA CB C 13 23.83 . . 1 . . . . . . . . 4560 1 627 . 1 1 51 51 ALA N N 15 129.15 . . 1 . . . . . . . . 4560 1 628 . 1 1 52 52 ALA H H 1 8.71 . . 1 . . . . . . . . 4560 1 629 . 1 1 52 52 ALA HA H 1 4.83 . . 1 . . . . . . . . 4560 1 630 . 1 1 52 52 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4560 1 631 . 1 1 52 52 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4560 1 632 . 1 1 52 52 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4560 1 633 . 1 1 52 52 ALA C C 13 175.93 . . 1 . . . . . . . . 4560 1 634 . 1 1 52 52 ALA CA C 13 50.59 . . 1 . . . . . . . . 4560 1 635 . 1 1 52 52 ALA CB C 13 24.10 . . 1 . . . . . . . . 4560 1 636 . 1 1 52 52 ALA N N 15 120.15 . . 1 . . . . . . . . 4560 1 637 . 1 1 53 53 GLU H H 1 9.07 . . 1 . . . . . . . . 4560 1 638 . 1 1 53 53 GLU HA H 1 4.24 . . 1 . . . . . . . . 4560 1 639 . 1 1 53 53 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4560 1 640 . 1 1 53 53 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4560 1 641 . 1 1 53 53 GLU HG2 H 1 2.19 . . 2 . . . . . . . . 4560 1 642 . 1 1 53 53 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 4560 1 643 . 1 1 53 53 GLU C C 13 179.13 . . 1 . . . . . . . . 4560 1 644 . 1 1 53 53 GLU CA C 13 57.47 . . 1 . . . . . . . . 4560 1 645 . 1 1 53 53 GLU CB C 13 29.92 . . 1 . . . . . . . . 4560 1 646 . 1 1 53 53 GLU CG C 13 36.47 . . 1 . . . . . . . . 4560 1 647 . 1 1 53 53 GLU N N 15 121.75 . . 1 . . . . . . . . 4560 1 648 . 1 1 54 54 GLY H H 1 9.04 . . 1 . . . . . . . . 4560 1 649 . 1 1 54 54 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 4560 1 650 . 1 1 54 54 GLY HA3 H 1 4.59 . . 2 . . . . . . . . 4560 1 651 . 1 1 54 54 GLY C C 13 174.23 . . 1 . . . . . . . . 4560 1 652 . 1 1 54 54 GLY CA C 13 49.17 . . 1 . . . . . . . . 4560 1 653 . 1 1 54 54 GLY N N 15 117.65 . . 1 . . . . . . . . 4560 1 654 . 1 1 55 55 GLU H H 1 8.42 . . 1 . . . . . . . . 4560 1 655 . 1 1 55 55 GLU HA H 1 5.31 . . 1 . . . . . . . . 4560 1 656 . 1 1 55 55 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4560 1 657 . 1 1 55 55 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 4560 1 658 . 1 1 55 55 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 4560 1 659 . 1 1 55 55 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 4560 1 660 . 1 1 55 55 GLU C C 13 173.03 . . 1 . . . . . . . . 4560 1 661 . 1 1 55 55 GLU CA C 13 56.03 . . 1 . . . . . . . . 4560 1 662 . 1 1 55 55 GLU CB C 13 33.74 . . 1 . . . . . . . . 4560 1 663 . 1 1 55 55 GLU CG C 13 37.35 . . 1 . . . . . . . . 4560 1 664 . 1 1 55 55 GLU N N 15 124.75 . . 1 . . . . . . . . 4560 1 665 . 1 1 56 56 LEU H H 1 8.96 . . 1 . . . . . . . . 4560 1 666 . 1 1 56 56 LEU HA H 1 4.56 . . 1 . . . . . . . . 4560 1 667 . 1 1 56 56 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4560 1 668 . 1 1 56 56 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4560 1 669 . 1 1 56 56 LEU HG H 1 1.60 . . 1 . . . . . . . . 4560 1 670 . 1 1 56 56 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4560 1 671 . 1 1 56 56 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4560 1 672 . 1 1 56 56 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4560 1 673 . 1 1 56 56 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 4560 1 674 . 1 1 56 56 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 4560 1 675 . 1 1 56 56 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 4560 1 676 . 1 1 56 56 LEU C C 13 175.02 . . 1 . . . . . . . . 4560 1 677 . 1 1 56 56 LEU CA C 13 55.76 . . 1 . . . . . . . . 4560 1 678 . 1 1 56 56 LEU CB C 13 46.47 . . 1 . . . . . . . . 4560 1 679 . 1 1 56 56 LEU CG C 13 28.19 . . 1 . . . . . . . . 4560 1 680 . 1 1 56 56 LEU CD1 C 13 26.11 . . 1 . . . . . . . . 4560 1 681 . 1 1 56 56 LEU CD2 C 13 26.11 . . 1 . . . . . . . . 4560 1 682 . 1 1 56 56 LEU N N 15 125.15 . . 1 . . . . . . . . 4560 1 683 . 1 1 57 57 ILE H H 1 9.88 . . 1 . . . . . . . . 4560 1 684 . 1 1 57 57 ILE HA H 1 4.99 . . 1 . . . . . . . . 4560 1 685 . 1 1 57 57 ILE HB H 1 1.79 . . 1 . . . . . . . . 4560 1 686 . 1 1 57 57 ILE HG12 H 1 1.59 . . 1 . . . . . . . . 4560 1 687 . 1 1 57 57 ILE HG13 H 1 1.59 . . 1 . . . . . . . . 4560 1 688 . 1 1 57 57 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4560 1 689 . 1 1 57 57 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4560 1 690 . 1 1 57 57 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4560 1 691 . 1 1 57 57 ILE HD11 H 1 1.04 . . 1 . . . . . . . . 4560 1 692 . 1 1 57 57 ILE HD12 H 1 1.04 . . 1 . . . . . . . . 4560 1 693 . 1 1 57 57 ILE HD13 H 1 1.04 . . 1 . . . . . . . . 4560 1 694 . 1 1 57 57 ILE C C 13 175.43 . . 1 . . . . . . . . 4560 1 695 . 1 1 57 57 ILE CA C 13 60.53 . . 1 . . . . . . . . 4560 1 696 . 1 1 57 57 ILE CB C 13 40.90 . . 1 . . . . . . . . 4560 1 697 . 1 1 57 57 ILE CG1 C 13 29.00 . . 1 . . . . . . . . 4560 1 698 . 1 1 57 57 ILE CG2 C 13 18.38 . . 1 . . . . . . . . 4560 1 699 . 1 1 57 57 ILE CD1 C 13 13.68 . . 1 . . . . . . . . 4560 1 700 . 1 1 57 57 ILE N N 15 130.03 . . 1 . . . . . . . . 4560 1 701 . 1 1 58 58 LEU H H 1 8.87 . . 1 . . . . . . . . 4560 1 702 . 1 1 58 58 LEU HA H 1 4.83 . . 1 . . . . . . . . 4560 1 703 . 1 1 58 58 LEU HB2 H 1 2.02 . . 1 . . . . . . . . 4560 1 704 . 1 1 58 58 LEU HB3 H 1 1.18 . . 1 . . . . . . . . 4560 1 705 . 1 1 58 58 LEU HG H 1 1.78 . . 1 . . . . . . . . 4560 1 706 . 1 1 58 58 LEU HD11 H 1 1.00 . . 1 . . . . . . . . 4560 1 707 . 1 1 58 58 LEU HD12 H 1 1.00 . . 1 . . . . . . . . 4560 1 708 . 1 1 58 58 LEU HD13 H 1 1.00 . . 1 . . . . . . . . 4560 1 709 . 1 1 58 58 LEU HD21 H 1 1.00 . . 1 . . . . . . . . 4560 1 710 . 1 1 58 58 LEU HD22 H 1 1.00 . . 1 . . . . . . . . 4560 1 711 . 1 1 58 58 LEU HD23 H 1 1.00 . . 1 . . . . . . . . 4560 1 712 . 1 1 58 58 LEU C C 13 175.53 . . 1 . . . . . . . . 4560 1 713 . 1 1 58 58 LEU CA C 13 53.88 . . 1 . . . . . . . . 4560 1 714 . 1 1 58 58 LEU CB C 13 44.46 . . 1 . . . . . . . . 4560 1 715 . 1 1 58 58 LEU CG C 13 27.36 . . 1 . . . . . . . . 4560 1 716 . 1 1 58 58 LEU CD1 C 13 24.66 . . 1 . . . . . . . . 4560 1 717 . 1 1 58 58 LEU CD2 C 13 24.66 . . 1 . . . . . . . . 4560 1 718 . 1 1 58 58 LEU N N 15 123.85 . . 1 . . . . . . . . 4560 1 719 . 1 1 59 59 THR H H 1 9.29 . . 1 . . . . . . . . 4560 1 720 . 1 1 59 59 THR HA H 1 4.89 . . 1 . . . . . . . . 4560 1 721 . 1 1 59 59 THR HB H 1 4.62 . . 1 . . . . . . . . 4560 1 722 . 1 1 59 59 THR HG21 H 1 1.30 . . 1 . . . . . . . . 4560 1 723 . 1 1 59 59 THR HG22 H 1 1.30 . . 1 . . . . . . . . 4560 1 724 . 1 1 59 59 THR HG23 H 1 1.30 . . 1 . . . . . . . . 4560 1 725 . 1 1 59 59 THR C C 13 173.83 . . 1 . . . . . . . . 4560 1 726 . 1 1 59 59 THR CA C 13 60.74 . . 1 . . . . . . . . 4560 1 727 . 1 1 59 59 THR CB C 13 70.97 . . 1 . . . . . . . . 4560 1 728 . 1 1 59 59 THR CG2 C 13 21.65 . . 1 . . . . . . . . 4560 1 729 . 1 1 59 59 THR N N 15 116.15 . . 1 . . . . . . . . 4560 1 730 . 1 1 60 60 ARG H H 1 8.64 . . 1 . . . . . . . . 4560 1 731 . 1 1 60 60 ARG HA H 1 4.03 . . 1 . . . . . . . . 4560 1 732 . 1 1 60 60 ARG HB2 H 1 2.04 . . 1 . . . . . . . . 4560 1 733 . 1 1 60 60 ARG HB3 H 1 2.04 . . 1 . . . . . . . . 4560 1 734 . 1 1 60 60 ARG HG2 H 1 1.84 . . 1 . . . . . . . . 4560 1 735 . 1 1 60 60 ARG HG3 H 1 1.84 . . 1 . . . . . . . . 4560 1 736 . 1 1 60 60 ARG HD2 H 1 3.52 . . 2 . . . . . . . . 4560 1 737 . 1 1 60 60 ARG HD3 H 1 3.80 . . 2 . . . . . . . . 4560 1 738 . 1 1 60 60 ARG HE H 1 7.54 . . 1 . . . . . . . . 4560 1 739 . 1 1 60 60 ARG C C 13 177.73 . . 1 . . . . . . . . 4560 1 740 . 1 1 60 60 ARG CA C 13 59.89 . . 1 . . . . . . . . 4560 1 741 . 1 1 60 60 ARG CB C 13 30.82 . . 1 . . . . . . . . 4560 1 742 . 1 1 60 60 ARG CG C 13 27.29 . . 1 . . . . . . . . 4560 1 743 . 1 1 60 60 ARG CD C 13 43.83 . . 1 . . . . . . . . 4560 1 744 . 1 1 60 60 ARG CZ C 13 159.35 . . 1 . . . . . . . . 4560 1 745 . 1 1 60 60 ARG N N 15 124.75 . . 1 . . . . . . . . 4560 1 746 . 1 1 60 60 ARG NE N 15 83.82 . . 1 . . . . . . . . 4560 1 747 . 1 1 61 61 LYS H H 1 8.77 . . 1 . . . . . . . . 4560 1 748 . 1 1 61 61 LYS HA H 1 4.09 . . 1 . . . . . . . . 4560 1 749 . 1 1 61 61 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4560 1 750 . 1 1 61 61 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4560 1 751 . 1 1 61 61 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 4560 1 752 . 1 1 61 61 LYS HG3 H 1 1.57 . . 2 . . . . . . . . 4560 1 753 . 1 1 61 61 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4560 1 754 . 1 1 61 61 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4560 1 755 . 1 1 61 61 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 4560 1 756 . 1 1 61 61 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 4560 1 757 . 1 1 61 61 LYS C C 13 178.93 . . 1 . . . . . . . . 4560 1 758 . 1 1 61 61 LYS CA C 13 59.75 . . 1 . . . . . . . . 4560 1 759 . 1 1 61 61 LYS CB C 13 32.59 . . 1 . . . . . . . . 4560 1 760 . 1 1 61 61 LYS CG C 13 24.64 . . 1 . . . . . . . . 4560 1 761 . 1 1 61 61 LYS CD C 13 29.45 . . 1 . . . . . . . . 4560 1 762 . 1 1 61 61 LYS CE C 13 42.35 . . 1 . . . . . . . . 4560 1 763 . 1 1 61 61 LYS N N 15 118.65 . . 1 . . . . . . . . 4560 1 764 . 1 1 62 62 THR H H 1 7.89 . . 1 . . . . . . . . 4560 1 765 . 1 1 62 62 THR HA H 1 4.02 . . 1 . . . . . . . . 4560 1 766 . 1 1 62 62 THR HB H 1 4.53 . . 1 . . . . . . . . 4560 1 767 . 1 1 62 62 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4560 1 768 . 1 1 62 62 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4560 1 769 . 1 1 62 62 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4560 1 770 . 1 1 62 62 THR C C 13 176.43 . . 1 . . . . . . . . 4560 1 771 . 1 1 62 62 THR CA C 13 65.77 . . 1 . . . . . . . . 4560 1 772 . 1 1 62 62 THR CB C 13 67.10 . . 1 . . . . . . . . 4560 1 773 . 1 1 62 62 THR CG2 C 13 25.49 . . 1 . . . . . . . . 4560 1 774 . 1 1 62 62 THR N N 15 118.35 . . 1 . . . . . . . . 4560 1 775 . 1 1 63 63 LEU H H 1 8.07 . . 1 . . . . . . . . 4560 1 776 . 1 1 63 63 LEU HA H 1 3.88 . . 1 . . . . . . . . 4560 1 777 . 1 1 63 63 LEU HB2 H 1 0.91 . . 2 . . . . . . . . 4560 1 778 . 1 1 63 63 LEU HB3 H 1 1.71 . . 2 . . . . . . . . 4560 1 779 . 1 1 63 63 LEU HG H 1 1.55 . . 1 . . . . . . . . 4560 1 780 . 1 1 63 63 LEU HD11 H 1 0.40 . . 2 . . . . . . . . 4560 1 781 . 1 1 63 63 LEU HD12 H 1 0.40 . . 2 . . . . . . . . 4560 1 782 . 1 1 63 63 LEU HD13 H 1 0.40 . . 2 . . . . . . . . 4560 1 783 . 1 1 63 63 LEU HD21 H 1 0.62 . . 2 . . . . . . . . 4560 1 784 . 1 1 63 63 LEU HD22 H 1 0.62 . . 2 . . . . . . . . 4560 1 785 . 1 1 63 63 LEU HD23 H 1 0.62 . . 2 . . . . . . . . 4560 1 786 . 1 1 63 63 LEU C C 13 179.03 . . 1 . . . . . . . . 4560 1 787 . 1 1 63 63 LEU CA C 13 59.16 . . 1 . . . . . . . . 4560 1 788 . 1 1 63 63 LEU CB C 13 41.45 . . 1 . . . . . . . . 4560 1 789 . 1 1 63 63 LEU CG C 13 27.51 . . 1 . . . . . . . . 4560 1 790 . 1 1 63 63 LEU CD1 C 13 25.06 . . 1 . . . . . . . . 4560 1 791 . 1 1 63 63 LEU CD2 C 13 25.06 . . 1 . . . . . . . . 4560 1 792 . 1 1 63 63 LEU N N 15 125.45 . . 1 . . . . . . . . 4560 1 793 . 1 1 64 64 GLU H H 1 8.92 . . 1 . . . . . . . . 4560 1 794 . 1 1 64 64 GLU HA H 1 4.15 . . 1 . . . . . . . . 4560 1 795 . 1 1 64 64 GLU HB2 H 1 2.31 . . 1 . . . . . . . . 4560 1 796 . 1 1 64 64 GLU HB3 H 1 2.06 . . 1 . . . . . . . . 4560 1 797 . 1 1 64 64 GLU HG2 H 1 2.55 . . 2 . . . . . . . . 4560 1 798 . 1 1 64 64 GLU HG3 H 1 2.91 . . 2 . . . . . . . . 4560 1 799 . 1 1 64 64 GLU C C 13 180.73 . . 1 . . . . . . . . 4560 1 800 . 1 1 64 64 GLU CA C 13 60.17 . . 1 . . . . . . . . 4560 1 801 . 1 1 64 64 GLU CB C 13 30.15 . . 1 . . . . . . . . 4560 1 802 . 1 1 64 64 GLU CG C 13 38.12 . . 1 . . . . . . . . 4560 1 803 . 1 1 64 64 GLU N N 15 118.65 . . 1 . . . . . . . . 4560 1 804 . 1 1 65 65 GLU H H 1 7.85 . . 1 . . . . . . . . 4560 1 805 . 1 1 65 65 GLU HA H 1 4.05 . . 1 . . . . . . . . 4560 1 806 . 1 1 65 65 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 4560 1 807 . 1 1 65 65 GLU HB3 H 1 2.41 . . 2 . . . . . . . . 4560 1 808 . 1 1 65 65 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 4560 1 809 . 1 1 65 65 GLU HG3 H 1 2.58 . . 2 . . . . . . . . 4560 1 810 . 1 1 65 65 GLU C C 13 179.33 . . 1 . . . . . . . . 4560 1 811 . 1 1 65 65 GLU CA C 13 59.41 . . 1 . . . . . . . . 4560 1 812 . 1 1 65 65 GLU CB C 13 29.24 . . 1 . . . . . . . . 4560 1 813 . 1 1 65 65 GLU CG C 13 36.47 . . 1 . . . . . . . . 4560 1 814 . 1 1 65 65 GLU N N 15 122.05 . . 1 . . . . . . . . 4560 1 815 . 1 1 66 66 GLN H H 1 8.49 . . 1 . . . . . . . . 4560 1 816 . 1 1 66 66 GLN HA H 1 4.03 . . 1 . . . . . . . . 4560 1 817 . 1 1 66 66 GLN HB2 H 1 2.04 . . 1 . . . . . . . . 4560 1 818 . 1 1 66 66 GLN HB3 H 1 2.24 . . 1 . . . . . . . . 4560 1 819 . 1 1 66 66 GLN HG2 H 1 2.27 . . 2 . . . . . . . . 4560 1 820 . 1 1 66 66 GLN HG3 H 1 2.69 . . 2 . . . . . . . . 4560 1 821 . 1 1 66 66 GLN HE21 H 1 6.86 . . 2 . . . . . . . . 4560 1 822 . 1 1 66 66 GLN HE22 H 1 7.45 . . 2 . . . . . . . . 4560 1 823 . 1 1 66 66 GLN C C 13 178.63 . . 1 . . . . . . . . 4560 1 824 . 1 1 66 66 GLN CA C 13 57.18 . . 1 . . . . . . . . 4560 1 825 . 1 1 66 66 GLN CB C 13 28.46 . . 1 . . . . . . . . 4560 1 826 . 1 1 66 66 GLN CG C 13 34.27 . . 1 . . . . . . . . 4560 1 827 . 1 1 66 66 GLN CD C 13 178.23 . . 1 . . . . . . . . 4560 1 828 . 1 1 66 66 GLN N N 15 118.35 . . 1 . . . . . . . . 4560 1 829 . 1 1 66 66 GLN NE2 N 15 114.05 . . 1 . . . . . . . . 4560 1 830 . 1 1 67 67 LEU H H 1 8.78 . . 1 . . . . . . . . 4560 1 831 . 1 1 67 67 LEU HA H 1 4.20 . . 1 . . . . . . . . 4560 1 832 . 1 1 67 67 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4560 1 833 . 1 1 67 67 LEU HB3 H 1 1.49 . . 1 . . . . . . . . 4560 1 834 . 1 1 67 67 LEU HG H 1 1.53 . . 1 . . . . . . . . 4560 1 835 . 1 1 67 67 LEU HD11 H 1 0.51 . . 2 . . . . . . . . 4560 1 836 . 1 1 67 67 LEU HD12 H 1 0.51 . . 2 . . . . . . . . 4560 1 837 . 1 1 67 67 LEU HD13 H 1 0.51 . . 2 . . . . . . . . 4560 1 838 . 1 1 67 67 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4560 1 839 . 1 1 67 67 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4560 1 840 . 1 1 67 67 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4560 1 841 . 1 1 67 67 LEU C C 13 178.73 . . 1 . . . . . . . . 4560 1 842 . 1 1 67 67 LEU CA C 13 56.24 . . 1 . . . . . . . . 4560 1 843 . 1 1 67 67 LEU CB C 13 43.95 . . 1 . . . . . . . . 4560 1 844 . 1 1 67 67 LEU CG C 13 27.09 . . 1 . . . . . . . . 4560 1 845 . 1 1 67 67 LEU CD1 C 13 24.43 . . 1 . . . . . . . . 4560 1 846 . 1 1 67 67 LEU CD2 C 13 24.43 . . 1 . . . . . . . . 4560 1 847 . 1 1 67 67 LEU N N 15 119.85 . . 1 . . . . . . . . 4560 1 848 . 1 1 68 68 GLY H H 1 8.18 . . 1 . . . . . . . . 4560 1 849 . 1 1 68 68 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4560 1 850 . 1 1 68 68 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 4560 1 851 . 1 1 68 68 GLY C C 13 173.33 . . 1 . . . . . . . . 4560 1 852 . 1 1 68 68 GLY CA C 13 46.13 . . 1 . . . . . . . . 4560 1 853 . 1 1 68 68 GLY N N 15 108.15 . . 1 . . . . . . . . 4560 1 854 . 1 1 69 69 ARG H H 1 7.66 . . 1 . . . . . . . . 4560 1 855 . 1 1 69 69 ARG HA H 1 4.90 . . 1 . . . . . . . . 4560 1 856 . 1 1 69 69 ARG HB2 H 1 1.83 . . 2 . . . . . . . . 4560 1 857 . 1 1 69 69 ARG HB3 H 1 2.09 . . 2 . . . . . . . . 4560 1 858 . 1 1 69 69 ARG HG2 H 1 1.43 . . 2 . . . . . . . . 4560 1 859 . 1 1 69 69 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4560 1 860 . 1 1 69 69 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 4560 1 861 . 1 1 69 69 ARG HD3 H 1 3.26 . . 2 . . . . . . . . 4560 1 862 . 1 1 69 69 ARG HE H 1 7.39 . . 1 . . . . . . . . 4560 1 863 . 1 1 69 69 ARG CA C 13 53.32 . . 1 . . . . . . . . 4560 1 864 . 1 1 69 69 ARG CB C 13 29.00 . . 1 . . . . . . . . 4560 1 865 . 1 1 69 69 ARG CG C 13 25.29 . . 1 . . . . . . . . 4560 1 866 . 1 1 69 69 ARG CD C 13 43.90 . . 1 . . . . . . . . 4560 1 867 . 1 1 69 69 ARG CZ C 13 160.13 . . 1 . . . . . . . . 4560 1 868 . 1 1 69 69 ARG N N 15 116.15 . . 1 . . . . . . . . 4560 1 869 . 1 1 69 69 ARG NE N 15 86.46 . . 1 . . . . . . . . 4560 1 870 . 1 1 70 70 PRO HA H 1 4.39 . . 1 . . . . . . . . 4560 1 871 . 1 1 70 70 PRO HB2 H 1 1.82 . . 2 . . . . . . . . 4560 1 872 . 1 1 70 70 PRO HB3 H 1 2.38 . . 2 . . . . . . . . 4560 1 873 . 1 1 70 70 PRO HG2 H 1 1.96 . . 2 . . . . . . . . 4560 1 874 . 1 1 70 70 PRO HG3 H 1 2.11 . . 2 . . . . . . . . 4560 1 875 . 1 1 70 70 PRO HD2 H 1 3.59 . . 2 . . . . . . . . 4560 1 876 . 1 1 70 70 PRO HD3 H 1 3.83 . . 2 . . . . . . . . 4560 1 877 . 1 1 70 70 PRO C C 13 176.53 . . 1 . . . . . . . . 4560 1 878 . 1 1 70 70 PRO CA C 13 63.07 . . 1 . . . . . . . . 4560 1 879 . 1 1 70 70 PRO CB C 13 32.10 . . 1 . . . . . . . . 4560 1 880 . 1 1 70 70 PRO CG C 13 27.94 . . 1 . . . . . . . . 4560 1 881 . 1 1 70 70 PRO CD C 13 50.66 . . 1 . . . . . . . . 4560 1 882 . 1 1 71 71 PHE H H 1 9.58 . . 1 . . . . . . . . 4560 1 883 . 1 1 71 71 PHE HA H 1 4.80 . . 1 . . . . . . . . 4560 1 884 . 1 1 71 71 PHE HB2 H 1 2.86 . . 2 . . . . . . . . 4560 1 885 . 1 1 71 71 PHE HB3 H 1 2.92 . . 2 . . . . . . . . 4560 1 886 . 1 1 71 71 PHE HD1 H 1 7.05 . . 1 . . . . . . . . 4560 1 887 . 1 1 71 71 PHE HD2 H 1 7.05 . . 1 . . . . . . . . 4560 1 888 . 1 1 71 71 PHE HE1 H 1 7.20 . . 1 . . . . . . . . 4560 1 889 . 1 1 71 71 PHE HE2 H 1 7.20 . . 1 . . . . . . . . 4560 1 890 . 1 1 71 71 PHE HZ H 1 6.98 . . 1 . . . . . . . . 4560 1 891 . 1 1 71 71 PHE C C 13 172.53 . . 1 . . . . . . . . 4560 1 892 . 1 1 71 71 PHE CA C 13 57.65 . . 1 . . . . . . . . 4560 1 893 . 1 1 71 71 PHE CB C 13 43.68 . . 1 . . . . . . . . 4560 1 894 . 1 1 71 71 PHE CD1 C 13 132.23 . . 1 . . . . . . . . 4560 1 895 . 1 1 71 71 PHE CD2 C 13 132.23 . . 1 . . . . . . . . 4560 1 896 . 1 1 71 71 PHE CE1 C 13 131.33 . . 1 . . . . . . . . 4560 1 897 . 1 1 71 71 PHE CE2 C 13 131.33 . . 1 . . . . . . . . 4560 1 898 . 1 1 71 71 PHE CZ C 13 128.73 . . 1 . . . . . . . . 4560 1 899 . 1 1 71 71 PHE N N 15 127.25 . . 1 . . . . . . . . 4560 1 900 . 1 1 72 72 ASN H H 1 8.00 . . 1 . . . . . . . . 4560 1 901 . 1 1 72 72 ASN HA H 1 4.75 . . 1 . . . . . . . . 4560 1 902 . 1 1 72 72 ASN HB2 H 1 2.77 . . 1 . . . . . . . . 4560 1 903 . 1 1 72 72 ASN HB3 H 1 2.65 . . 1 . . . . . . . . 4560 1 904 . 1 1 72 72 ASN HD21 H 1 6.95 . . 2 . . . . . . . . 4560 1 905 . 1 1 72 72 ASN HD22 H 1 7.65 . . 2 . . . . . . . . 4560 1 906 . 1 1 72 72 ASN C C 13 175.03 . . 1 . . . . . . . . 4560 1 907 . 1 1 72 72 ASN CA C 13 51.46 . . 1 . . . . . . . . 4560 1 908 . 1 1 72 72 ASN CB C 13 40.77 . . 1 . . . . . . . . 4560 1 909 . 1 1 72 72 ASN CG C 13 176.73 . . 1 . . . . . . . . 4560 1 910 . 1 1 72 72 ASN N N 15 126.65 . . 1 . . . . . . . . 4560 1 911 . 1 1 72 72 ASN ND2 N 15 114.65 . . 1 . . . . . . . . 4560 1 912 . 1 1 73 73 MET H H 1 9.12 . . 1 . . . . . . . . 4560 1 913 . 1 1 73 73 MET HA H 1 4.31 . . 1 . . . . . . . . 4560 1 914 . 1 1 73 73 MET HB2 H 1 2.12 . . 1 . . . . . . . . 4560 1 915 . 1 1 73 73 MET HB3 H 1 2.12 . . 1 . . . . . . . . 4560 1 916 . 1 1 73 73 MET HG2 H 1 2.72 . . 2 . . . . . . . . 4560 1 917 . 1 1 73 73 MET HG3 H 1 2.77 . . 2 . . . . . . . . 4560 1 918 . 1 1 73 73 MET C C 13 178.53 . . 1 . . . . . . . . 4560 1 919 . 1 1 73 73 MET CA C 13 57.05 . . 1 . . . . . . . . 4560 1 920 . 1 1 73 73 MET CB C 13 31.46 . . 1 . . . . . . . . 4560 1 921 . 1 1 73 73 MET CG C 13 33.37 . . 1 . . . . . . . . 4560 1 922 . 1 1 73 73 MET N N 15 123.25 . . 1 . . . . . . . . 4560 1 923 . 1 1 74 74 GLN H H 1 8.67 . . 1 . . . . . . . . 4560 1 924 . 1 1 74 74 GLN HA H 1 4.12 . . 1 . . . . . . . . 4560 1 925 . 1 1 74 74 GLN HB2 H 1 2.02 . . 1 . . . . . . . . 4560 1 926 . 1 1 74 74 GLN HB3 H 1 2.02 . . 1 . . . . . . . . 4560 1 927 . 1 1 74 74 GLN HG2 H 1 2.43 . . 1 . . . . . . . . 4560 1 928 . 1 1 74 74 GLN HG3 H 1 2.43 . . 1 . . . . . . . . 4560 1 929 . 1 1 74 74 GLN HE21 H 1 6.80 . . 2 . . . . . . . . 4560 1 930 . 1 1 74 74 GLN HE22 H 1 7.53 . . 2 . . . . . . . . 4560 1 931 . 1 1 74 74 GLN C C 13 177.73 . . 1 . . . . . . . . 4560 1 932 . 1 1 74 74 GLN CA C 13 59.03 . . 1 . . . . . . . . 4560 1 933 . 1 1 74 74 GLN CB C 13 28.12 . . 1 . . . . . . . . 4560 1 934 . 1 1 74 74 GLN CG C 13 34.28 . . 1 . . . . . . . . 4560 1 935 . 1 1 74 74 GLN CD C 13 180.43 . . 1 . . . . . . . . 4560 1 936 . 1 1 74 74 GLN N N 15 121.05 . . 1 . . . . . . . . 4560 1 937 . 1 1 74 74 GLN NE2 N 15 113.05 . . 1 . . . . . . . . 4560 1 938 . 1 1 75 75 GLU H H 1 8.05 . . 1 . . . . . . . . 4560 1 939 . 1 1 75 75 GLU HA H 1 3.96 . . 1 . . . . . . . . 4560 1 940 . 1 1 75 75 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4560 1 941 . 1 1 75 75 GLU HB3 H 1 1.92 . . 1 . . . . . . . . 4560 1 942 . 1 1 75 75 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4560 1 943 . 1 1 75 75 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4560 1 944 . 1 1 75 75 GLU C C 13 179.03 . . 1 . . . . . . . . 4560 1 945 . 1 1 75 75 GLU CA C 13 58.95 . . 1 . . . . . . . . 4560 1 946 . 1 1 75 75 GLU CB C 13 29.30 . . 1 . . . . . . . . 4560 1 947 . 1 1 75 75 GLU CG C 13 36.91 . . 1 . . . . . . . . 4560 1 948 . 1 1 75 75 GLU N N 15 119.83 . . 1 . . . . . . . . 4560 1 949 . 1 1 76 76 LEU H H 1 7.31 . . 1 . . . . . . . . 4560 1 950 . 1 1 76 76 LEU HA H 1 4.28 . . 1 . . . . . . . . 4560 1 951 . 1 1 76 76 LEU HB2 H 1 2.29 . . 1 . . . . . . . . 4560 1 952 . 1 1 76 76 LEU HB3 H 1 1.74 . . 1 . . . . . . . . 4560 1 953 . 1 1 76 76 LEU HG H 1 1.73 . . 1 . . . . . . . . 4560 1 954 . 1 1 76 76 LEU HD11 H 1 1.04 . . 1 . . . . . . . . 4560 1 955 . 1 1 76 76 LEU HD12 H 1 1.04 . . 1 . . . . . . . . 4560 1 956 . 1 1 76 76 LEU HD13 H 1 1.04 . . 1 . . . . . . . . 4560 1 957 . 1 1 76 76 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 4560 1 958 . 1 1 76 76 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 4560 1 959 . 1 1 76 76 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 4560 1 960 . 1 1 76 76 LEU C C 13 178.33 . . 1 . . . . . . . . 4560 1 961 . 1 1 76 76 LEU CA C 13 57.76 . . 1 . . . . . . . . 4560 1 962 . 1 1 76 76 LEU CB C 13 41.85 . . 1 . . . . . . . . 4560 1 963 . 1 1 76 76 LEU CG C 13 27.91 . . 1 . . . . . . . . 4560 1 964 . 1 1 76 76 LEU CD1 C 13 26.13 . . 2 . . . . . . . . 4560 1 965 . 1 1 76 76 LEU CD2 C 13 24.37 . . 2 . . . . . . . . 4560 1 966 . 1 1 76 76 LEU N N 15 119.85 . . 1 . . . . . . . . 4560 1 967 . 1 1 77 77 GLU H H 1 7.79 . . 1 . . . . . . . . 4560 1 968 . 1 1 77 77 GLU HA H 1 3.82 . . 1 . . . . . . . . 4560 1 969 . 1 1 77 77 GLU HB2 H 1 2.17 . . 1 . . . . . . . . 4560 1 970 . 1 1 77 77 GLU HB3 H 1 2.17 . . 1 . . . . . . . . 4560 1 971 . 1 1 77 77 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 4560 1 972 . 1 1 77 77 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 4560 1 973 . 1 1 77 77 GLU C C 13 179.73 . . 1 . . . . . . . . 4560 1 974 . 1 1 77 77 GLU CA C 13 60.65 . . 1 . . . . . . . . 4560 1 975 . 1 1 77 77 GLU CB C 13 29.76 . . 1 . . . . . . . . 4560 1 976 . 1 1 77 77 GLU CG C 13 36.76 . . 1 . . . . . . . . 4560 1 977 . 1 1 77 77 GLU N N 15 118.95 . . 1 . . . . . . . . 4560 1 978 . 1 1 78 78 ILE H H 1 7.94 . . 1 . . . . . . . . 4560 1 979 . 1 1 78 78 ILE HA H 1 4.19 . . 1 . . . . . . . . 4560 1 980 . 1 1 78 78 ILE HB H 1 2.06 . . 1 . . . . . . . . 4560 1 981 . 1 1 78 78 ILE HG12 H 1 1.45 . . 2 . . . . . . . . 4560 1 982 . 1 1 78 78 ILE HG13 H 1 1.60 . . 2 . . . . . . . . 4560 1 983 . 1 1 78 78 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 4560 1 984 . 1 1 78 78 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 4560 1 985 . 1 1 78 78 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 4560 1 986 . 1 1 78 78 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4560 1 987 . 1 1 78 78 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4560 1 988 . 1 1 78 78 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4560 1 989 . 1 1 78 78 ILE C C 13 176.63 . . 1 . . . . . . . . 4560 1 990 . 1 1 78 78 ILE CA C 13 63.49 . . 1 . . . . . . . . 4560 1 991 . 1 1 78 78 ILE CB C 13 38.25 . . 1 . . . . . . . . 4560 1 992 . 1 1 78 78 ILE CG1 C 13 28.09 . . 1 . . . . . . . . 4560 1 993 . 1 1 78 78 ILE CG2 C 13 17.55 . . 1 . . . . . . . . 4560 1 994 . 1 1 78 78 ILE CD1 C 13 13.74 . . 1 . . . . . . . . 4560 1 995 . 1 1 78 78 ILE N N 15 115.85 . . 1 . . . . . . . . 4560 1 996 . 1 1 79 79 ASN H H 1 7.58 . . 1 . . . . . . . . 4560 1 997 . 1 1 79 79 ASN HA H 1 4.81 . . 1 . . . . . . . . 4560 1 998 . 1 1 79 79 ASN HB2 H 1 2.75 . . 1 . . . . . . . . 4560 1 999 . 1 1 79 79 ASN HB3 H 1 3.06 . . 1 . . . . . . . . 4560 1 1000 . 1 1 79 79 ASN HD21 H 1 7.73 . . 2 . . . . . . . . 4560 1 1001 . 1 1 79 79 ASN HD22 H 1 7.98 . . 2 . . . . . . . . 4560 1 1002 . 1 1 79 79 ASN C C 13 173.43 . . 1 . . . . . . . . 4560 1 1003 . 1 1 79 79 ASN CA C 13 54.60 . . 1 . . . . . . . . 4560 1 1004 . 1 1 79 79 ASN CB C 13 41.54 . . 1 . . . . . . . . 4560 1 1005 . 1 1 79 79 ASN CG C 13 177.63 . . 1 . . . . . . . . 4560 1 1006 . 1 1 79 79 ASN N N 15 118.95 . . 1 . . . . . . . . 4560 1 1007 . 1 1 79 79 ASN ND2 N 15 118.85 . . 1 . . . . . . . . 4560 1 1008 . 1 1 80 80 LEU H H 1 7.64 . . 1 . . . . . . . . 4560 1 1009 . 1 1 80 80 LEU HA H 1 4.74 . . 1 . . . . . . . . 4560 1 1010 . 1 1 80 80 LEU HB2 H 1 1.93 . . 1 . . . . . . . . 4560 1 1011 . 1 1 80 80 LEU HB3 H 1 1.93 . . 1 . . . . . . . . 4560 1 1012 . 1 1 80 80 LEU HG H 1 1.07 . . 1 . . . . . . . . 4560 1 1013 . 1 1 80 80 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 4560 1 1014 . 1 1 80 80 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 4560 1 1015 . 1 1 80 80 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 4560 1 1016 . 1 1 80 80 LEU HD21 H 1 0.98 . . 1 . . . . . . . . 4560 1 1017 . 1 1 80 80 LEU HD22 H 1 0.98 . . 1 . . . . . . . . 4560 1 1018 . 1 1 80 80 LEU HD23 H 1 0.98 . . 1 . . . . . . . . 4560 1 1019 . 1 1 80 80 LEU C C 13 175.93 . . 1 . . . . . . . . 4560 1 1020 . 1 1 80 80 LEU CA C 13 54.96 . . 1 . . . . . . . . 4560 1 1021 . 1 1 80 80 LEU CB C 13 41.27 . . 1 . . . . . . . . 4560 1 1022 . 1 1 80 80 LEU CG C 13 25.98 . . 1 . . . . . . . . 4560 1 1023 . 1 1 80 80 LEU CD1 C 13 25.01 . . 1 . . . . . . . . 4560 1 1024 . 1 1 80 80 LEU CD2 C 13 25.01 . . 1 . . . . . . . . 4560 1 1025 . 1 1 80 80 LEU N N 15 122.65 . . 1 . . . . . . . . 4560 1 1026 . 1 1 81 81 ALA H H 1 8.96 . . 1 . . . . . . . . 4560 1 1027 . 1 1 81 81 ALA HA H 1 4.35 . . 1 . . . . . . . . 4560 1 1028 . 1 1 81 81 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4560 1 1029 . 1 1 81 81 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4560 1 1030 . 1 1 81 81 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4560 1 1031 . 1 1 81 81 ALA C C 13 178.13 . . 1 . . . . . . . . 4560 1 1032 . 1 1 81 81 ALA CA C 13 54.26 . . 1 . . . . . . . . 4560 1 1033 . 1 1 81 81 ALA CB C 13 19.71 . . 1 . . . . . . . . 4560 1 1034 . 1 1 81 81 ALA N N 15 131.55 . . 1 . . . . . . . . 4560 1 1035 . 1 1 82 82 SER H H 1 8.20 . . 1 . . . . . . . . 4560 1 1036 . 1 1 82 82 SER HA H 1 4.37 . . 1 . . . . . . . . 4560 1 1037 . 1 1 82 82 SER HB2 H 1 3.64 . . 2 . . . . . . . . 4560 1 1038 . 1 1 82 82 SER HB3 H 1 3.97 . . 2 . . . . . . . . 4560 1 1039 . 1 1 82 82 SER C C 13 172.35 . . 1 . . . . . . . . 4560 1 1040 . 1 1 82 82 SER CA C 13 56.77 . . 1 . . . . . . . . 4560 1 1041 . 1 1 82 82 SER CB C 13 62.44 . . 1 . . . . . . . . 4560 1 1042 . 1 1 82 82 SER N N 15 108.15 . . 1 . . . . . . . . 4560 1 1043 . 1 1 83 83 PHE H H 1 8.07 . . 1 . . . . . . . . 4560 1 1044 . 1 1 83 83 PHE HA H 1 4.96 . . 1 . . . . . . . . 4560 1 1045 . 1 1 83 83 PHE HB2 H 1 2.89 . . 2 . . . . . . . . 4560 1 1046 . 1 1 83 83 PHE HB3 H 1 3.46 . . 2 . . . . . . . . 4560 1 1047 . 1 1 83 83 PHE HD1 H 1 6.99 . . 1 . . . . . . . . 4560 1 1048 . 1 1 83 83 PHE HD2 H 1 6.99 . . 1 . . . . . . . . 4560 1 1049 . 1 1 83 83 PHE HE1 H 1 7.48 . . 1 . . . . . . . . 4560 1 1050 . 1 1 83 83 PHE HE2 H 1 7.48 . . 1 . . . . . . . . 4560 1 1051 . 1 1 83 83 PHE HZ H 1 7.40 . . 1 . . . . . . . . 4560 1 1052 . 1 1 83 83 PHE C C 13 172.43 . . 1 . . . . . . . . 4560 1 1053 . 1 1 83 83 PHE CA C 13 57.05 . . 1 . . . . . . . . 4560 1 1054 . 1 1 83 83 PHE CB C 13 41.38 . . 1 . . . . . . . . 4560 1 1055 . 1 1 83 83 PHE CD1 C 13 132.53 . . 1 . . . . . . . . 4560 1 1056 . 1 1 83 83 PHE CD2 C 13 132.53 . . 1 . . . . . . . . 4560 1 1057 . 1 1 83 83 PHE CE1 C 13 132.13 . . 1 . . . . . . . . 4560 1 1058 . 1 1 83 83 PHE CE2 C 13 132.13 . . 1 . . . . . . . . 4560 1 1059 . 1 1 83 83 PHE CZ C 13 130.63 . . 1 . . . . . . . . 4560 1 1060 . 1 1 83 83 PHE N N 15 113.65 . . 1 . . . . . . . . 4560 1 1061 . 1 1 84 84 ALA H H 1 8.92 . . 1 . . . . . . . . 4560 1 1062 . 1 1 84 84 ALA HA H 1 4.92 . . 1 . . . . . . . . 4560 1 1063 . 1 1 84 84 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4560 1 1064 . 1 1 84 84 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4560 1 1065 . 1 1 84 84 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4560 1 1066 . 1 1 84 84 ALA C C 13 177.33 . . 1 . . . . . . . . 4560 1 1067 . 1 1 84 84 ALA CA C 13 50.92 . . 1 . . . . . . . . 4560 1 1068 . 1 1 84 84 ALA CB C 13 21.93 . . 1 . . . . . . . . 4560 1 1069 . 1 1 84 84 ALA N N 15 125.35 . . 1 . . . . . . . . 4560 1 1070 . 1 1 85 85 GLY H H 1 8.50 . . 1 . . . . . . . . 4560 1 1071 . 1 1 85 85 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 4560 1 1072 . 1 1 85 85 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 4560 1 1073 . 1 1 85 85 GLY C C 13 173.53 . . 1 . . . . . . . . 4560 1 1074 . 1 1 85 85 GLY CA C 13 43.96 . . 1 . . . . . . . . 4560 1 1075 . 1 1 85 85 GLY N N 15 110.35 . . 1 . . . . . . . . 4560 1 1076 . 1 1 86 86 GLN H H 1 8.55 . . 1 . . . . . . . . 4560 1 1077 . 1 1 86 86 GLN HA H 1 4.61 . . 1 . . . . . . . . 4560 1 1078 . 1 1 86 86 GLN HB2 H 1 0.73 . . 2 . . . . . . . . 4560 1 1079 . 1 1 86 86 GLN HB3 H 1 1.60 . . 2 . . . . . . . . 4560 1 1080 . 1 1 86 86 GLN HG2 H 1 2.21 . . 2 . . . . . . . . 4560 1 1081 . 1 1 86 86 GLN HG3 H 1 2.27 . . 2 . . . . . . . . 4560 1 1082 . 1 1 86 86 GLN HE21 H 1 6.93 . . 2 . . . . . . . . 4560 1 1083 . 1 1 86 86 GLN HE22 H 1 7.49 . . 2 . . . . . . . . 4560 1 1084 . 1 1 86 86 GLN C C 13 174.63 . . 1 . . . . . . . . 4560 1 1085 . 1 1 86 86 GLN CA C 13 54.32 . . 1 . . . . . . . . 4560 1 1086 . 1 1 86 86 GLN CB C 13 29.70 . . 1 . . . . . . . . 4560 1 1087 . 1 1 86 86 GLN CG C 13 34.48 . . 1 . . . . . . . . 4560 1 1088 . 1 1 86 86 GLN CD C 13 180.53 . . 1 . . . . . . . . 4560 1 1089 . 1 1 86 86 GLN N N 15 117.75 . . 1 . . . . . . . . 4560 1 1090 . 1 1 86 86 GLN NE2 N 15 114.05 . . 1 . . . . . . . . 4560 1 1091 . 1 1 87 87 ILE H H 1 8.28 . . 1 . . . . . . . . 4560 1 1092 . 1 1 87 87 ILE HA H 1 5.00 . . 1 . . . . . . . . 4560 1 1093 . 1 1 87 87 ILE HB H 1 0.90 . . 1 . . . . . . . . 4560 1 1094 . 1 1 87 87 ILE HG12 H 1 0.34 . . 2 . . . . . . . . 4560 1 1095 . 1 1 87 87 ILE HG13 H 1 0.67 . . 2 . . . . . . . . 4560 1 1096 . 1 1 87 87 ILE HG21 H 1 0.48 . . 1 . . . . . . . . 4560 1 1097 . 1 1 87 87 ILE HG22 H 1 0.48 . . 1 . . . . . . . . 4560 1 1098 . 1 1 87 87 ILE HG23 H 1 0.48 . . 1 . . . . . . . . 4560 1 1099 . 1 1 87 87 ILE HD11 H 1 0.05 . . 1 . . . . . . . . 4560 1 1100 . 1 1 87 87 ILE HD12 H 1 0.05 . . 1 . . . . . . . . 4560 1 1101 . 1 1 87 87 ILE HD13 H 1 0.05 . . 1 . . . . . . . . 4560 1 1102 . 1 1 87 87 ILE C C 13 175.63 . . 1 . . . . . . . . 4560 1 1103 . 1 1 87 87 ILE CA C 13 59.29 . . 1 . . . . . . . . 4560 1 1104 . 1 1 87 87 ILE CB C 13 41.93 . . 1 . . . . . . . . 4560 1 1105 . 1 1 87 87 ILE CG1 C 13 27.75 . . 1 . . . . . . . . 4560 1 1106 . 1 1 87 87 ILE CG2 C 13 16.48 . . 1 . . . . . . . . 4560 1 1107 . 1 1 87 87 ILE CD1 C 13 12.90 . . 1 . . . . . . . . 4560 1 1108 . 1 1 87 87 ILE N N 15 118.65 . . 1 . . . . . . . . 4560 1 1109 . 1 1 88 88 GLN H H 1 8.86 . . 1 . . . . . . . . 4560 1 1110 . 1 1 88 88 GLN HA H 1 4.59 . . 1 . . . . . . . . 4560 1 1111 . 1 1 88 88 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4560 1 1112 . 1 1 88 88 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 4560 1 1113 . 1 1 88 88 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 4560 1 1114 . 1 1 88 88 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 4560 1 1115 . 1 1 88 88 GLN HE21 H 1 6.74 . . 2 . . . . . . . . 4560 1 1116 . 1 1 88 88 GLN HE22 H 1 7.63 . . 2 . . . . . . . . 4560 1 1117 . 1 1 88 88 GLN C C 13 173.83 . . 1 . . . . . . . . 4560 1 1118 . 1 1 88 88 GLN CA C 13 55.49 . . 1 . . . . . . . . 4560 1 1119 . 1 1 88 88 GLN CB C 13 30.99 . . 1 . . . . . . . . 4560 1 1120 . 1 1 88 88 GLN CG C 13 33.62 . . 1 . . . . . . . . 4560 1 1121 . 1 1 88 88 GLN CD C 13 180.03 . . 1 . . . . . . . . 4560 1 1122 . 1 1 88 88 GLN N N 15 128.53 . . 1 . . . . . . . . 4560 1 1123 . 1 1 88 88 GLN NE2 N 15 113.43 . . 1 . . . . . . . . 4560 1 1124 . 1 1 89 89 ALA H H 1 9.11 . . 1 . . . . . . . . 4560 1 1125 . 1 1 89 89 ALA HA H 1 5.10 . . 1 . . . . . . . . 4560 1 1126 . 1 1 89 89 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4560 1 1127 . 1 1 89 89 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4560 1 1128 . 1 1 89 89 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4560 1 1129 . 1 1 89 89 ALA C C 13 175.33 . . 1 . . . . . . . . 4560 1 1130 . 1 1 89 89 ALA CA C 13 51.31 . . 1 . . . . . . . . 4560 1 1131 . 1 1 89 89 ALA CB C 13 21.93 . . 1 . . . . . . . . 4560 1 1132 . 1 1 89 89 ALA N N 15 132.55 . . 1 . . . . . . . . 4560 1 1133 . 1 1 90 90 ASP H H 1 8.78 . . 1 . . . . . . . . 4560 1 1134 . 1 1 90 90 ASP HA H 1 4.78 . . 1 . . . . . . . . 4560 1 1135 . 1 1 90 90 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 4560 1 1136 . 1 1 90 90 ASP HB3 H 1 3.15 . . 2 . . . . . . . . 4560 1 1137 . 1 1 90 90 ASP C C 13 175.65 . . 1 . . . . . . . . 4560 1 1138 . 1 1 90 90 ASP CA C 13 53.39 . . 1 . . . . . . . . 4560 1 1139 . 1 1 90 90 ASP CB C 13 42.50 . . 1 . . . . . . . . 4560 1 1140 . 1 1 90 90 ASP N N 15 124.15 . . 1 . . . . . . . . 4560 1 1141 . 1 1 91 91 GLU H H 1 8.62 . . 1 . . . . . . . . 4560 1 1142 . 1 1 91 91 GLU HA H 1 4.15 . . 1 . . . . . . . . 4560 1 1143 . 1 1 91 91 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4560 1 1144 . 1 1 91 91 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 4560 1 1145 . 1 1 91 91 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 4560 1 1146 . 1 1 91 91 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 4560 1 1147 . 1 1 91 91 GLU C C 13 177.33 . . 1 . . . . . . . . 4560 1 1148 . 1 1 91 91 GLU CA C 13 58.81 . . 1 . . . . . . . . 4560 1 1149 . 1 1 91 91 GLU CB C 13 29.85 . . 1 . . . . . . . . 4560 1 1150 . 1 1 91 91 GLU CG C 13 36.60 . . 1 . . . . . . . . 4560 1 1151 . 1 1 91 91 GLU N N 15 116.15 . . 1 . . . . . . . . 4560 1 1152 . 1 1 92 92 ASP H H 1 9.08 . . 1 . . . . . . . . 4560 1 1153 . 1 1 92 92 ASP HA H 1 5.01 . . 1 . . . . . . . . 4560 1 1154 . 1 1 92 92 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4560 1 1155 . 1 1 92 92 ASP HB3 H 1 2.80 . . 2 . . . . . . . . 4560 1 1156 . 1 1 92 92 ASP C C 13 177.13 . . 1 . . . . . . . . 4560 1 1157 . 1 1 92 92 ASP CA C 13 55.24 . . 1 . . . . . . . . 4560 1 1158 . 1 1 92 92 ASP CB C 13 43.18 . . 1 . . . . . . . . 4560 1 1159 . 1 1 92 92 ASP N N 15 117.05 . . 1 . . . . . . . . 4560 1 1160 . 1 1 93 93 GLN H H 1 8.39 . . 1 . . . . . . . . 4560 1 1161 . 1 1 93 93 GLN HA H 1 5.16 . . 1 . . . . . . . . 4560 1 1162 . 1 1 93 93 GLN HB2 H 1 1.80 . . 2 . . . . . . . . 4560 1 1163 . 1 1 93 93 GLN HB3 H 1 2.42 . . 2 . . . . . . . . 4560 1 1164 . 1 1 93 93 GLN HG2 H 1 2.04 . . 2 . . . . . . . . 4560 1 1165 . 1 1 93 93 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 4560 1 1166 . 1 1 93 93 GLN HE21 H 1 6.50 . . 2 . . . . . . . . 4560 1 1167 . 1 1 93 93 GLN HE22 H 1 7.48 . . 2 . . . . . . . . 4560 1 1168 . 1 1 93 93 GLN C C 13 172.13 . . 1 . . . . . . . . 4560 1 1169 . 1 1 93 93 GLN CA C 13 55.90 . . 1 . . . . . . . . 4560 1 1170 . 1 1 93 93 GLN CB C 13 31.06 . . 1 . . . . . . . . 4560 1 1171 . 1 1 93 93 GLN CG C 13 32.20 . . 1 . . . . . . . . 4560 1 1172 . 1 1 93 93 GLN CD C 13 180.23 . . 1 . . . . . . . . 4560 1 1173 . 1 1 93 93 GLN N N 15 121.45 . . 1 . . . . . . . . 4560 1 1174 . 1 1 93 93 GLN NE2 N 15 111.55 . . 1 . . . . . . . . 4560 1 1175 . 1 1 94 94 ILE H H 1 8.83 . . 1 . . . . . . . . 4560 1 1176 . 1 1 94 94 ILE HA H 1 4.68 . . 1 . . . . . . . . 4560 1 1177 . 1 1 94 94 ILE HB H 1 1.54 . . 1 . . . . . . . . 4560 1 1178 . 1 1 94 94 ILE HG12 H 1 0.69 . . 1 . . . . . . . . 4560 1 1179 . 1 1 94 94 ILE HG13 H 1 0.69 . . 1 . . . . . . . . 4560 1 1180 . 1 1 94 94 ILE HG21 H 1 0.59 . . 1 . . . . . . . . 4560 1 1181 . 1 1 94 94 ILE HG22 H 1 0.59 . . 1 . . . . . . . . 4560 1 1182 . 1 1 94 94 ILE HG23 H 1 0.59 . . 1 . . . . . . . . 4560 1 1183 . 1 1 94 94 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4560 1 1184 . 1 1 94 94 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4560 1 1185 . 1 1 94 94 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4560 1 1186 . 1 1 94 94 ILE C C 13 171.93 . . 1 . . . . . . . . 4560 1 1187 . 1 1 94 94 ILE CA C 13 60.67 . . 1 . . . . . . . . 4560 1 1188 . 1 1 94 94 ILE CB C 13 41.52 . . 1 . . . . . . . . 4560 1 1189 . 1 1 94 94 ILE CG1 C 13 28.20 . . 1 . . . . . . . . 4560 1 1190 . 1 1 94 94 ILE CG2 C 13 17.99 . . 1 . . . . . . . . 4560 1 1191 . 1 1 94 94 ILE CD1 C 13 14.38 . . 1 . . . . . . . . 4560 1 1192 . 1 1 94 94 ILE N N 15 120.15 . . 1 . . . . . . . . 4560 1 1193 . 1 1 95 95 ARG H H 1 8.54 . . 1 . . . . . . . . 4560 1 1194 . 1 1 95 95 ARG HA H 1 5.14 . . 1 . . . . . . . . 4560 1 1195 . 1 1 95 95 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4560 1 1196 . 1 1 95 95 ARG HB3 H 1 1.88 . . 2 . . . . . . . . 4560 1 1197 . 1 1 95 95 ARG HG2 H 1 1.32 . . 2 . . . . . . . . 4560 1 1198 . 1 1 95 95 ARG HG3 H 1 1.50 . . 2 . . . . . . . . 4560 1 1199 . 1 1 95 95 ARG HD2 H 1 2.95 . . 2 . . . . . . . . 4560 1 1200 . 1 1 95 95 ARG HD3 H 1 3.14 . . 2 . . . . . . . . 4560 1 1201 . 1 1 95 95 ARG C C 13 173.63 . . 1 . . . . . . . . 4560 1 1202 . 1 1 95 95 ARG CA C 13 53.96 . . 1 . . . . . . . . 4560 1 1203 . 1 1 95 95 ARG CB C 13 34.35 . . 1 . . . . . . . . 4560 1 1204 . 1 1 95 95 ARG CG C 13 29.54 . . 1 . . . . . . . . 4560 1 1205 . 1 1 95 95 ARG CD C 13 43.27 . . 1 . . . . . . . . 4560 1 1206 . 1 1 95 95 ARG N N 15 127.85 . . 1 . . . . . . . . 4560 1 1207 . 1 1 96 96 PHE H H 1 9.19 . . 1 . . . . . . . . 4560 1 1208 . 1 1 96 96 PHE HA H 1 5.74 . . 1 . . . . . . . . 4560 1 1209 . 1 1 96 96 PHE HB2 H 1 3.04 . . 1 . . . . . . . . 4560 1 1210 . 1 1 96 96 PHE HB3 H 1 3.18 . . 1 . . . . . . . . 4560 1 1211 . 1 1 96 96 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4560 1 1212 . 1 1 96 96 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4560 1 1213 . 1 1 96 96 PHE HE1 H 1 6.87 . . 1 . . . . . . . . 4560 1 1214 . 1 1 96 96 PHE HE2 H 1 6.87 . . 1 . . . . . . . . 4560 1 1215 . 1 1 96 96 PHE C C 13 176.13 . . 1 . . . . . . . . 4560 1 1216 . 1 1 96 96 PHE CA C 13 55.52 . . 1 . . . . . . . . 4560 1 1217 . 1 1 96 96 PHE CB C 13 40.31 . . 1 . . . . . . . . 4560 1 1218 . 1 1 96 96 PHE CD1 C 13 130.43 . . 1 . . . . . . . . 4560 1 1219 . 1 1 96 96 PHE CD2 C 13 130.43 . . 1 . . . . . . . . 4560 1 1220 . 1 1 96 96 PHE CE1 C 13 132.13 . . 1 . . . . . . . . 4560 1 1221 . 1 1 96 96 PHE CE2 C 13 132.13 . . 1 . . . . . . . . 4560 1 1222 . 1 1 96 96 PHE N N 15 126.35 . . 1 . . . . . . . . 4560 1 1223 . 1 1 97 97 TYR H H 1 9.29 . . 1 . . . . . . . . 4560 1 1224 . 1 1 97 97 TYR HA H 1 5.63 . . 1 . . . . . . . . 4560 1 1225 . 1 1 97 97 TYR HB2 H 1 3.01 . . 2 . . . . . . . . 4560 1 1226 . 1 1 97 97 TYR HB3 H 1 3.13 . . 2 . . . . . . . . 4560 1 1227 . 1 1 97 97 TYR HD1 H 1 6.75 . . 1 . . . . . . . . 4560 1 1228 . 1 1 97 97 TYR HD2 H 1 6.75 . . 1 . . . . . . . . 4560 1 1229 . 1 1 97 97 TYR HE1 H 1 6.53 . . 1 . . . . . . . . 4560 1 1230 . 1 1 97 97 TYR HE2 H 1 6.53 . . 1 . . . . . . . . 4560 1 1231 . 1 1 97 97 TYR C C 13 172.83 . . 1 . . . . . . . . 4560 1 1232 . 1 1 97 97 TYR CA C 13 56.67 . . 1 . . . . . . . . 4560 1 1233 . 1 1 97 97 TYR CB C 13 40.61 . . 1 . . . . . . . . 4560 1 1234 . 1 1 97 97 TYR CD1 C 13 133.83 . . 1 . . . . . . . . 4560 1 1235 . 1 1 97 97 TYR CD2 C 13 133.83 . . 1 . . . . . . . . 4560 1 1236 . 1 1 97 97 TYR CE1 C 13 117.73 . . 1 . . . . . . . . 4560 1 1237 . 1 1 97 97 TYR CE2 C 13 117.73 . . 1 . . . . . . . . 4560 1 1238 . 1 1 97 97 TYR N N 15 119.25 . . 1 . . . . . . . . 4560 1 1239 . 1 1 98 98 PHE H H 1 8.56 . . 1 . . . . . . . . 4560 1 1240 . 1 1 98 98 PHE HA H 1 4.70 . . 1 . . . . . . . . 4560 1 1241 . 1 1 98 98 PHE HB2 H 1 3.09 . . 2 . . . . . . . . 4560 1 1242 . 1 1 98 98 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 4560 1 1243 . 1 1 98 98 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4560 1 1244 . 1 1 98 98 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4560 1 1245 . 1 1 98 98 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 4560 1 1246 . 1 1 98 98 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 4560 1 1247 . 1 1 98 98 PHE C C 13 174.83 . . 1 . . . . . . . . 4560 1 1248 . 1 1 98 98 PHE CA C 13 57.85 . . 1 . . . . . . . . 4560 1 1249 . 1 1 98 98 PHE CB C 13 40.96 . . 1 . . . . . . . . 4560 1 1250 . 1 1 98 98 PHE CD1 C 13 132.73 . . 1 . . . . . . . . 4560 1 1251 . 1 1 98 98 PHE CD2 C 13 132.73 . . 1 . . . . . . . . 4560 1 1252 . 1 1 98 98 PHE CE1 C 13 131.33 . . 1 . . . . . . . . 4560 1 1253 . 1 1 98 98 PHE CE2 C 13 131.33 . . 1 . . . . . . . . 4560 1 1254 . 1 1 98 98 PHE N N 15 122.65 . . 1 . . . . . . . . 4560 1 1255 . 1 1 99 99 ASP H H 1 8.41 . . 1 . . . . . . . . 4560 1 1256 . 1 1 99 99 ASP HA H 1 4.68 . . 1 . . . . . . . . 4560 1 1257 . 1 1 99 99 ASP HB2 H 1 2.52 . . 1 . . . . . . . . 4560 1 1258 . 1 1 99 99 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4560 1 1259 . 1 1 99 99 ASP C C 13 175.33 . . 1 . . . . . . . . 4560 1 1260 . 1 1 99 99 ASP CA C 13 53.66 . . 1 . . . . . . . . 4560 1 1261 . 1 1 99 99 ASP CB C 13 42.34 . . 1 . . . . . . . . 4560 1 1262 . 1 1 99 99 ASP N N 15 127.55 . . 1 . . . . . . . . 4560 1 1263 . 1 1 100 100 LYS H H 1 8.15 . . 1 . . . . . . . . 4560 1 1264 . 1 1 100 100 LYS HA H 1 4.28 . . 1 . . . . . . . . 4560 1 1265 . 1 1 100 100 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4560 1 1266 . 1 1 100 100 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 4560 1 1267 . 1 1 100 100 LYS HG2 H 1 1.51 . . 1 . . . . . . . . 4560 1 1268 . 1 1 100 100 LYS HG3 H 1 1.51 . . 1 . . . . . . . . 4560 1 1269 . 1 1 100 100 LYS HD2 H 1 1.79 . . 1 . . . . . . . . 4560 1 1270 . 1 1 100 100 LYS HD3 H 1 1.79 . . 1 . . . . . . . . 4560 1 1271 . 1 1 100 100 LYS HE2 H 1 3.09 . . 1 . . . . . . . . 4560 1 1272 . 1 1 100 100 LYS HE3 H 1 3.09 . . 1 . . . . . . . . 4560 1 1273 . 1 1 100 100 LYS C C 13 176.53 . . 1 . . . . . . . . 4560 1 1274 . 1 1 100 100 LYS CA C 13 56.76 . . 1 . . . . . . . . 4560 1 1275 . 1 1 100 100 LYS CB C 13 32.94 . . 1 . . . . . . . . 4560 1 1276 . 1 1 100 100 LYS CG C 13 24.65 . . 1 . . . . . . . . 4560 1 1277 . 1 1 100 100 LYS CD C 13 29.54 . . 1 . . . . . . . . 4560 1 1278 . 1 1 100 100 LYS CE C 13 42.09 . . 1 . . . . . . . . 4560 1 1279 . 1 1 100 100 LYS N N 15 124.15 . . 1 . . . . . . . . 4560 1 1280 . 1 1 101 101 THR H H 1 8.44 . . 1 . . . . . . . . 4560 1 1281 . 1 1 101 101 THR HA H 1 4.36 . . 1 . . . . . . . . 4560 1 1282 . 1 1 101 101 THR HB H 1 4.30 . . 1 . . . . . . . . 4560 1 1283 . 1 1 101 101 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4560 1 1284 . 1 1 101 101 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4560 1 1285 . 1 1 101 101 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4560 1 1286 . 1 1 101 101 THR C C 13 173.93 . . 1 . . . . . . . . 4560 1 1287 . 1 1 101 101 THR CA C 13 62.39 . . 1 . . . . . . . . 4560 1 1288 . 1 1 101 101 THR CB C 13 69.65 . . 1 . . . . . . . . 4560 1 1289 . 1 1 101 101 THR CG2 C 13 21.76 . . 1 . . . . . . . . 4560 1 1290 . 1 1 101 101 THR N N 15 116.15 . . 1 . . . . . . . . 4560 1 1291 . 1 1 102 102 MET H H 1 7.80 . . 1 . . . . . . . . 4560 1 1292 . 1 1 102 102 MET HA H 1 4.33 . . 1 . . . . . . . . 4560 1 1293 . 1 1 102 102 MET HB2 H 1 1.98 . . 2 . . . . . . . . 4560 1 1294 . 1 1 102 102 MET HB3 H 1 2.13 . . 2 . . . . . . . . 4560 1 1295 . 1 1 102 102 MET HG2 H 1 2.55 . . 1 . . . . . . . . 4560 1 1296 . 1 1 102 102 MET HG3 H 1 2.55 . . 1 . . . . . . . . 4560 1 1297 . 1 1 102 102 MET CA C 13 57.22 . . 1 . . . . . . . . 4560 1 1298 . 1 1 102 102 MET CB C 13 34.11 . . 1 . . . . . . . . 4560 1 1299 . 1 1 102 102 MET N N 15 128.55 . . 1 . . . . . . . . 4560 1 stop_ save_