data_15681 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15681 _Entry.Title ; CPAP PN2-3 module ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-14 _Entry.Accession_date 2008-03-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Philippe Savarin . . . 15681 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15681 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 15681 '15N chemical shifts' 109 15681 '1H chemical shifts' 761 15681 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 4 . . 2010-01-06 2008-03-14 update BMRB 'correct pressure' 15681 3 . . 2009-08-13 2008-03-14 update BMRB 'added PubMed ID' 15681 2 . . 2008-12-02 2008-03-14 update BMRB 'complete entry citation' 15681 1 . . 2008-07-08 2008-03-14 original author 'original release' 15681 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15681 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636883 _Citation.Full_citation . _Citation.Title 'NMR assignment of PN2-3, a tubulin interaction subdomain of the CPAP protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 115 _Citation.Page_last 117 _Citation.Year 2008 _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 Marie-Jeanne Clement . . . 15681 1 2 Philippe Savarin . . . 15681 1 3 Jerome Coutant . . . 15681 1 4 Flavio Toma . . . 15681 1 5 Patrick Curmi . . . 15681 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID centrosome 15681 1 CPAP 15681 1 tubulin 15681 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15681 _Assembly.ID 1 _Assembly.Name 'PN2-3 module' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PN2-3 1 $CPAP_PN2-3 A . yes native no no . . . 15681 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CPAP_PN2-3 _Entity.Sf_category entity _Entity.Sf_framecode CPAP_PN2-3 _Entity.Entry_ID 15681 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CPAP_PN2-3 _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 ; AQKHDDSSEVANIEERPIKA AIGERKQTFEDYLEEQIQLE EQELKQKQLKEAEGPLPIKA KPKQPFLKRGEGLARFTNAK SKFQKGKESKLVTNQSTSED QPLFKMDRQQLQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'sequence code' _Entity.Polymer_author_seq_details 'module of PN2-3' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment PN2-3 _Entity.Mutation None _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 2015-11-26 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 DBJ BAF85095 . "unnamed protein product [Homo sapiens]" . . . . . 99.12 1338 100.00 100.00 2.30e-64 . . . . 15681 1 2 no EMBL CAI46195 . "hypothetical protein [Homo sapiens]" . . . . . 99.12 1086 100.00 100.00 3.17e-65 . . . . 15681 1 3 no GB AAG21074 . "centrosomal P4.1-associated protein [Homo sapiens]" . . . . . 99.12 1338 100.00 100.00 2.17e-64 . . . . 15681 1 4 no GB AAH92467 . "CENPJ protein, partial [Homo sapiens]" . . . . . 54.87 375 100.00 100.00 1.36e-30 . . . . 15681 1 5 no GB AAI13111 . "Centromere protein J [Homo sapiens]" . . . . . 99.12 1338 100.00 100.00 2.17e-64 . . . . 15681 1 6 no GB AAI13112 . "CENPJ protein [Homo sapiens]" . . . . . 99.12 1136 100.00 100.00 5.25e-65 . . . . 15681 1 7 no GB AAI13663 . "Centromere protein J [Homo sapiens]" . . . . . 99.12 1338 100.00 100.00 2.17e-64 . . . . 15681 1 8 no REF NP_001029343 . "centromere protein J [Pan troglodytes]" . . . . . 99.12 1338 100.00 100.00 2.35e-64 . . . . 15681 1 9 no REF NP_060921 . "centromere protein J [Homo sapiens]" . . . . . 99.12 1338 100.00 100.00 2.17e-64 . . . . 15681 1 10 no REF XP_003273172 . "PREDICTED: centromere protein J [Nomascus leucogenys]" . . . . . 99.12 1338 98.21 99.11 4.10e-63 . . . . 15681 1 11 no REF XP_003273173 . "PREDICTED: centromere protein J [Nomascus leucogenys]" . . . . . 99.12 1338 98.21 99.11 4.10e-63 . . . . 15681 1 12 no REF XP_003812656 . "PREDICTED: centromere protein J [Pan paniscus]" . . . . . 99.12 1338 100.00 100.00 2.28e-64 . . . . 15681 1 13 no SP Q5BQN8 . "RecName: Full=Centromere protein J; Short=CENP-J [Pan troglodytes]" . . . . . 99.12 1338 100.00 100.00 2.35e-64 . . . . 15681 1 14 no SP Q9HC77 . "RecName: Full=Centromere protein J; Short=CENP-J; AltName: Full=Centrosomal P4.1-associated protein; AltName: Full=LAG-3-associ" . . . . . 99.12 1338 100.00 100.00 2.17e-64 . . . . 15681 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 . ALA . 15681 1 2 . GLN . 15681 1 3 . LYS . 15681 1 4 . HIS . 15681 1 5 . ASP . 15681 1 6 . ASP . 15681 1 7 . SER . 15681 1 8 . SER . 15681 1 9 . GLU . 15681 1 10 . VAL . 15681 1 11 . ALA . 15681 1 12 . ASN . 15681 1 13 . ILE . 15681 1 14 . GLU . 15681 1 15 . GLU . 15681 1 16 . ARG . 15681 1 17 . PRO . 15681 1 18 . ILE . 15681 1 19 . LYS . 15681 1 20 . ALA . 15681 1 21 . ALA . 15681 1 22 . ILE . 15681 1 23 . GLY . 15681 1 24 . GLU . 15681 1 25 . ARG . 15681 1 26 . LYS . 15681 1 27 . GLN . 15681 1 28 . THR . 15681 1 29 . PHE . 15681 1 30 . GLU . 15681 1 31 . ASP . 15681 1 32 . TYR . 15681 1 33 . LEU . 15681 1 34 . GLU . 15681 1 35 . GLU . 15681 1 36 . GLN . 15681 1 37 . ILE . 15681 1 38 . GLN . 15681 1 39 . LEU . 15681 1 40 . GLU . 15681 1 41 . GLU . 15681 1 42 . GLN . 15681 1 43 . GLU . 15681 1 44 . LEU . 15681 1 45 . LYS . 15681 1 46 . GLN . 15681 1 47 . LYS . 15681 1 48 . GLN . 15681 1 49 . LEU . 15681 1 50 . LYS . 15681 1 51 . GLU . 15681 1 52 . ALA . 15681 1 53 . GLU . 15681 1 54 . GLY . 15681 1 55 . PRO . 15681 1 56 . LEU . 15681 1 57 . PRO . 15681 1 58 . ILE . 15681 1 59 . LYS . 15681 1 60 . ALA . 15681 1 61 . LYS . 15681 1 62 . PRO . 15681 1 63 . LYS . 15681 1 64 . GLN . 15681 1 65 . PRO . 15681 1 66 . PHE . 15681 1 67 . LEU . 15681 1 68 . LYS . 15681 1 69 . ARG . 15681 1 70 . GLY . 15681 1 71 . GLU . 15681 1 72 . GLY . 15681 1 73 . LEU . 15681 1 74 . ALA . 15681 1 75 . ARG . 15681 1 76 . PHE . 15681 1 77 . THR . 15681 1 78 . ASN . 15681 1 79 . ALA . 15681 1 80 . LYS . 15681 1 81 . SER . 15681 1 82 . LYS . 15681 1 83 . PHE . 15681 1 84 . GLN . 15681 1 85 . LYS . 15681 1 86 . GLY . 15681 1 87 . LYS . 15681 1 88 . GLU . 15681 1 89 . SER . 15681 1 90 . LYS . 15681 1 91 . LEU . 15681 1 92 . VAL . 15681 1 93 . THR . 15681 1 94 . ASN . 15681 1 95 . GLN . 15681 1 96 . SER . 15681 1 97 . THR . 15681 1 98 . SER . 15681 1 99 . GLU . 15681 1 100 . ASP . 15681 1 101 . GLN . 15681 1 102 . PRO . 15681 1 103 . LEU . 15681 1 104 . PHE . 15681 1 105 . LYS . 15681 1 106 . MET . 15681 1 107 . ASP . 15681 1 108 . ARG . 15681 1 109 . GLN . 15681 1 110 . GLN . 15681 1 111 . LEU . 15681 1 112 . GLN . 15681 1 113 . ARG . 15681 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 . ALA 1 1 15681 1 . GLN 2 2 15681 1 . LYS 3 3 15681 1 . HIS 4 4 15681 1 . ASP 5 5 15681 1 . ASP 6 6 15681 1 . SER 7 7 15681 1 . SER 8 8 15681 1 . GLU 9 9 15681 1 . VAL 10 10 15681 1 . ALA 11 11 15681 1 . ASN 12 12 15681 1 . ILE 13 13 15681 1 . GLU 14 14 15681 1 . GLU 15 15 15681 1 . ARG 16 16 15681 1 . PRO 17 17 15681 1 . ILE 18 18 15681 1 . LYS 19 19 15681 1 . ALA 20 20 15681 1 . ALA 21 21 15681 1 . ILE 22 22 15681 1 . GLY 23 23 15681 1 . GLU 24 24 15681 1 . ARG 25 25 15681 1 . LYS 26 26 15681 1 . GLN 27 27 15681 1 . THR 28 28 15681 1 . PHE 29 29 15681 1 . GLU 30 30 15681 1 . ASP 31 31 15681 1 . TYR 32 32 15681 1 . LEU 33 33 15681 1 . GLU 34 34 15681 1 . GLU 35 35 15681 1 . GLN 36 36 15681 1 . ILE 37 37 15681 1 . GLN 38 38 15681 1 . LEU 39 39 15681 1 . GLU 40 40 15681 1 . GLU 41 41 15681 1 . GLN 42 42 15681 1 . GLU 43 43 15681 1 . LEU 44 44 15681 1 . LYS 45 45 15681 1 . GLN 46 46 15681 1 . LYS 47 47 15681 1 . GLN 48 48 15681 1 . LEU 49 49 15681 1 . LYS 50 50 15681 1 . GLU 51 51 15681 1 . ALA 52 52 15681 1 . GLU 53 53 15681 1 . GLY 54 54 15681 1 . PRO 55 55 15681 1 . LEU 56 56 15681 1 . PRO 57 57 15681 1 . ILE 58 58 15681 1 . LYS 59 59 15681 1 . ALA 60 60 15681 1 . LYS 61 61 15681 1 . PRO 62 62 15681 1 . LYS 63 63 15681 1 . GLN 64 64 15681 1 . PRO 65 65 15681 1 . PHE 66 66 15681 1 . LEU 67 67 15681 1 . LYS 68 68 15681 1 . ARG 69 69 15681 1 . GLY 70 70 15681 1 . GLU 71 71 15681 1 . GLY 72 72 15681 1 . LEU 73 73 15681 1 . ALA 74 74 15681 1 . ARG 75 75 15681 1 . PHE 76 76 15681 1 . THR 77 77 15681 1 . ASN 78 78 15681 1 . ALA 79 79 15681 1 . LYS 80 80 15681 1 . SER 81 81 15681 1 . LYS 82 82 15681 1 . PHE 83 83 15681 1 . GLN 84 84 15681 1 . LYS 85 85 15681 1 . GLY 86 86 15681 1 . LYS 87 87 15681 1 . GLU 88 88 15681 1 . SER 89 89 15681 1 . LYS 90 90 15681 1 . LEU 91 91 15681 1 . VAL 92 92 15681 1 . THR 93 93 15681 1 . ASN 94 94 15681 1 . GLN 95 95 15681 1 . SER 96 96 15681 1 . THR 97 97 15681 1 . SER 98 98 15681 1 . GLU 99 99 15681 1 . ASP 100 100 15681 1 . GLN 101 101 15681 1 . PRO 102 102 15681 1 . LEU 103 103 15681 1 . PHE 104 104 15681 1 . LYS 105 105 15681 1 . MET 106 106 15681 1 . ASP 107 107 15681 1 . ARG 108 108 15681 1 . GLN 109 109 15681 1 . GLN 110 110 15681 1 . LEU 111 111 15681 1 . GLN 112 112 15681 1 . ARG 113 113 15681 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 15681 _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 $CPAP_PN2-3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15681 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 15681 _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 $CPAP_PN2-3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BLR . . . . . . . . . . . . . . . pet16b . . . . . . 15681 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15681 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CPAP PN2-3' '[U-99% 13C; U-99% 15N]' . . 1 $CPAP_PN2-3 . . 1 . . mM 0.3 . . . 15681 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15681 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 15681 1 pH 6.8 . pH 15681 1 pressure 1 . atm 15681 1 temperature 293 . K 15681 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15681 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details linux loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15681 1 'Johnson, One Moon Scientific' . . 15681 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15681 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15681 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15681 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15681 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 15681 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15681 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15681 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 15681 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15681 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15681 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15681 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15681 1 2 '2D 1H-13C HSQC' . . . 15681 1 3 '3D CBCA(CO)NH' . . . 15681 1 4 '3D C(CO)NH' . . . 15681 1 5 '3D 1H-15N TOCSY' . . . 15681 1 6 '3D 1H-15N NOESY' . . . 15681 1 7 '3D 1H-13C NOESY' . . . 15681 1 8 '3D H(CCO)NH' . . . 15681 1 9 '3D HNCACB' . . . 15681 1 10 '3D HNCO' . . . 15681 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 15681 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 1 1 ALA C C 13 178.800 0.1 . 1 . . . . 1 A C . 15681 1 2 . 1 1 1 1 ALA CB C 13 20.935 0.1 . 1 . . . . 1 A CB . 15681 1 3 . 1 1 2 2 GLN H H 1 8.400 0.01 . 1 . . . . 2 Q HN . 15681 1 4 . 1 1 2 2 GLN HA H 1 4.330 0.01 . 1 . . . . 2 Q HA . 15681 1 5 . 1 1 2 2 GLN HB2 H 1 2.090 0.01 . 2 . . . . 2 Q HB1 . 15681 1 6 . 1 1 2 2 GLN HB3 H 1 2.090 0.01 . 2 . . . . 2 Q HB2 . 15681 1 7 . 1 1 2 2 GLN HG2 H 1 2.350 0.01 . 2 . . . . 2 Q HG1 . 15681 1 8 . 1 1 2 2 GLN HG3 H 1 2.350 0.01 . 2 . . . . 2 Q HG2 . 15681 1 9 . 1 1 2 2 GLN C C 13 176.060 0.1 . 1 . . . . 2 Q C . 15681 1 10 . 1 1 2 2 GLN CA C 13 56.348 0.1 . 1 . . . . 2 Q CA . 15681 1 11 . 1 1 2 2 GLN CB C 13 29.581 0.1 . 1 . . . . 2 Q CB . 15681 1 12 . 1 1 2 2 GLN CG C 13 33.565 0.1 . 1 . . . . 2 Q CG . 15681 1 13 . 1 1 2 2 GLN N N 15 119.700 0.1 . 1 . . . . 2 Q N . 15681 1 14 . 1 1 3 3 LYS H H 1 8.580 0.01 . 1 . . . . 3 K HN . 15681 1 15 . 1 1 3 3 LYS HA H 1 4.300 0.01 . 1 . . . . 3 K HA . 15681 1 16 . 1 1 3 3 LYS HB2 H 1 1.780 0.01 . 2 . . . . 3 K HB1 . 15681 1 17 . 1 1 3 3 LYS HB3 H 1 1.780 0.01 . 2 . . . . 3 K HB2 . 15681 1 18 . 1 1 3 3 LYS HG2 H 1 1.430 0.01 . 2 . . . . 3 K HG1 . 15681 1 19 . 1 1 3 3 LYS HG3 H 1 1.430 0.01 . 2 . . . . 3 K HG2 . 15681 1 20 . 1 1 3 3 LYS C C 13 175.220 0.1 . 1 . . . . 3 K C . 15681 1 21 . 1 1 3 3 LYS CA C 13 56.648 0.1 . 1 . . . . 3 K CA . 15681 1 22 . 1 1 3 3 LYS CB C 13 33.193 0.1 . 1 . . . . 3 K CB . 15681 1 23 . 1 1 3 3 LYS CD C 13 28.295 0.1 . 1 . . . . 3 K CD . 15681 1 24 . 1 1 3 3 LYS CG C 13 24.605 0.1 . 1 . . . . 3 K CG . 15681 1 25 . 1 1 3 3 LYS N N 15 122.440 0.1 . 1 . . . . 3 K N . 15681 1 26 . 1 1 4 4 HIS H H 1 8.430 0.01 . 1 . . . . 4 H HN . 15681 1 27 . 1 1 4 4 HIS HA H 1 4.608 0.01 . 1 . . . . 4 H HA . 15681 1 28 . 1 1 4 4 HIS HB2 H 1 3.201 0.01 . 2 . . . . 4 H HB1 . 15681 1 29 . 1 1 4 4 HIS HB3 H 1 3.201 0.01 . 2 . . . . 4 H HB2 . 15681 1 30 . 1 1 4 4 HIS HD2 H 1 7.210 0.01 . 1 . . . . 4 H HD2 . 15681 1 31 . 1 1 4 4 HIS HE1 H 1 8.495 0.01 . 1 . . . . 4 H HE1 . 15681 1 32 . 1 1 4 4 HIS C C 13 174.630 0.1 . 1 . . . . 4 H C . 15681 1 33 . 1 1 4 4 HIS CA C 13 56.648 0.1 . 1 . . . . 4 H CA . 15681 1 34 . 1 1 4 4 HIS CB C 13 30.114 0.1 . 1 . . . . 4 H CB . 15681 1 35 . 1 1 4 4 HIS CD2 C 13 120.230 0.1 . 1 . . . . 4 H CD2 . 15681 1 36 . 1 1 4 4 HIS CE1 C 13 137.400 0.1 . 1 . . . . 4 H CE1 . 15681 1 37 . 1 1 4 4 HIS N N 15 121.340 0.1 . 1 . . . . 4 H N . 15681 1 38 . 1 1 5 5 ASP H H 1 8.330 0.01 . 1 . . . . 5 D HN . 15681 1 39 . 1 1 5 5 ASP HA H 1 4.600 0.01 . 1 . . . . 5 D HA . 15681 1 40 . 1 1 5 5 ASP HB2 H 1 2.650 0.01 . 2 . . . . 5 D HB1 . 15681 1 41 . 1 1 5 5 ASP HB3 H 1 2.650 0.01 . 2 . . . . 5 D HB2 . 15681 1 42 . 1 1 5 5 ASP C C 13 176.150 0.1 . 1 . . . . 5 D C . 15681 1 43 . 1 1 5 5 ASP CA C 13 54.381 0.1 . 1 . . . . 5 D CA . 15681 1 44 . 1 1 5 5 ASP CB C 13 41.134 0.1 . 1 . . . . 5 D CB . 15681 1 45 . 1 1 5 5 ASP N N 15 120.090 0.1 . 1 . . . . 5 D N . 15681 1 46 . 1 1 6 6 ASP H H 1 8.456 0.01 . 1 . . . . 6 D HN . 15681 1 47 . 1 1 6 6 ASP HA H 1 4.647 0.01 . 1 . . . . 6 D HA . 15681 1 48 . 1 1 6 6 ASP HB2 H 1 2.680 0.01 . 2 . . . . 6 D HB1 . 15681 1 49 . 1 1 6 6 ASP HB3 H 1 2.680 0.01 . 2 . . . . 6 D HB2 . 15681 1 50 . 1 1 6 6 ASP C C 13 176.970 0.1 . 1 . . . . 6 D C . 15681 1 51 . 1 1 6 6 ASP CA C 13 54.381 0.1 . 1 . . . . 6 D CA . 15681 1 52 . 1 1 6 6 ASP CB C 13 41.134 0.1 . 1 . . . . 6 D CB . 15681 1 53 . 1 1 6 6 ASP N N 15 120.484 0.1 . 1 . . . . 6 D N . 15681 1 54 . 1 1 7 7 SER H H 1 8.438 0.01 . 1 . . . . 7 S HN . 15681 1 55 . 1 1 7 7 SER HA H 1 4.472 0.01 . 1 . . . . 7 S HA . 15681 1 56 . 1 1 7 7 SER HB2 H 1 3.953 0.01 . 2 . . . . 7 S HB1 . 15681 1 57 . 1 1 7 7 SER HB3 H 1 3.953 0.01 . 2 . . . . 7 S HB2 . 15681 1 58 . 1 1 7 7 SER C C 13 175.220 0.1 . 1 . . . . 7 S C . 15681 1 59 . 1 1 7 7 SER CA C 13 59.216 0.1 . 1 . . . . 7 S CA . 15681 1 60 . 1 1 7 7 SER CB C 13 63.853 0.1 . 1 . . . . 7 S CB . 15681 1 61 . 1 1 7 7 SER N N 15 115.210 0.1 . 1 . . . . 7 S N . 15681 1 62 . 1 1 8 8 SER H H 1 8.383 0.01 . 1 . . . . 8 S HN . 15681 1 63 . 1 1 8 8 SER HA H 1 4.491 0.01 . 1 . . . . 8 S HA . 15681 1 64 . 1 1 8 8 SER HB2 H 1 3.905 0.01 . 2 . . . . 8 S HB1 . 15681 1 65 . 1 1 8 8 SER HB3 H 1 3.905 0.01 . 2 . . . . 8 S HB2 . 15681 1 66 . 1 1 8 8 SER C C 13 175.220 0.1 . 1 . . . . 8 S C . 15681 1 67 . 1 1 8 8 SER CA C 13 58.667 0.1 . 1 . . . . 8 S CA . 15681 1 68 . 1 1 8 8 SER CB C 13 63.822 0.1 . 1 . . . . 8 S CB . 15681 1 69 . 1 1 8 8 SER N N 15 116.578 0.1 . 1 . . . . 8 S N . 15681 1 70 . 1 1 9 9 GLU H H 1 8.491 0.01 . 1 . . . . 9 E HN . 15681 1 71 . 1 1 9 9 GLU HA H 1 4.295 0.01 . 1 . . . . 9 E HA . 15681 1 72 . 1 1 9 9 GLU HB2 H 1 1.951 0.01 . 2 . . . . 9 E HB1 . 15681 1 73 . 1 1 9 9 GLU HB3 H 1 2.107 0.01 . 2 . . . . 9 E HB2 . 15681 1 74 . 1 1 9 9 GLU HG2 H 1 2.264 0.01 . 2 . . . . 9 E HG1 . 15681 1 75 . 1 1 9 9 GLU HG3 H 1 2.264 0.01 . 2 . . . . 9 E HG2 . 15681 1 76 . 1 1 9 9 GLU C C 13 176.970 0.1 . 1 . . . . 9 E C . 15681 1 77 . 1 1 9 9 GLU CA C 13 56.775 0.1 . 1 . . . . 9 E CA . 15681 1 78 . 1 1 9 9 GLU CB C 13 30.185 0.1 . 1 . . . . 9 E CB . 15681 1 79 . 1 1 9 9 GLU CG C 13 35.565 0.1 . 1 . . . . 9 E CG . 15681 1 80 . 1 1 9 9 GLU N N 15 121.340 0.1 . 1 . . . . 9 E N . 15681 1 81 . 1 1 10 10 VAL H H 1 8.117 0.01 . 1 . . . . 10 V HN . 15681 1 82 . 1 1 10 10 VAL HA H 1 4.110 0.01 . 1 . . . . 10 V HA . 15681 1 83 . 1 1 10 10 VAL HB H 1 2.107 0.01 . 1 . . . . 10 V HB . 15681 1 84 . 1 1 10 10 VAL HG11 H 1 0.955 0.01 . 2 . . . . 10 V HG11 . 15681 1 85 . 1 1 10 10 VAL HG12 H 1 0.955 0.01 . 2 . . . . 10 V HG11 . 15681 1 86 . 1 1 10 10 VAL HG13 H 1 0.955 0.01 . 2 . . . . 10 V HG11 . 15681 1 87 . 1 1 10 10 VAL HG21 H 1 0.955 0.01 . 2 . . . . 10 V HG21 . 15681 1 88 . 1 1 10 10 VAL HG22 H 1 0.955 0.01 . 2 . . . . 10 V HG21 . 15681 1 89 . 1 1 10 10 VAL HG23 H 1 0.955 0.01 . 2 . . . . 10 V HG21 . 15681 1 90 . 1 1 10 10 VAL C C 13 176.270 0.1 . 1 . . . . 10 V C . 15681 1 91 . 1 1 10 10 VAL CA C 13 62.257 0.1 . 1 . . . . 10 V CA . 15681 1 92 . 1 1 10 10 VAL CB C 13 32.642 0.1 . 1 . . . . 10 V CB . 15681 1 93 . 1 1 10 10 VAL CG1 C 13 20.955 0.1 . 1 . . . . 10 V CG1 . 15681 1 94 . 1 1 10 10 VAL CG2 C 13 20.955 0.1 . 1 . . . . 10 V CG2 . 15681 1 95 . 1 1 10 10 VAL N N 15 119.668 0.1 . 1 . . . . 10 V N . 15681 1 96 . 1 1 11 11 ALA H H 1 8.368 0.01 . 1 . . . . 11 A HN . 15681 1 97 . 1 1 11 11 ALA HA H 1 4.335 0.01 . 1 . . . . 11 A HA . 15681 1 98 . 1 1 11 11 ALA HB1 H 1 1.395 0.01 . 1 . . . . 11 A HB1 . 15681 1 99 . 1 1 11 11 ALA HB2 H 1 1.395 0.01 . 1 . . . . 11 A HB1 . 15681 1 100 . 1 1 11 11 ALA HB3 H 1 1.395 0.01 . 1 . . . . 11 A HB1 . 15681 1 101 . 1 1 11 11 ALA C C 13 177.790 0.1 . 1 . . . . 11 A C . 15681 1 102 . 1 1 11 11 ALA CA C 13 52.674 0.1 . 1 . . . . 11 A CA . 15681 1 103 . 1 1 11 11 ALA CB C 13 19.415 0.1 . 1 . . . . 11 A CB . 15681 1 104 . 1 1 11 11 ALA N N 15 126.296 0.1 . 1 . . . . 11 A N . 15681 1 105 . 1 1 12 12 ASN H H 1 8.431 0.01 . 1 . . . . 12 N HN . 15681 1 106 . 1 1 12 12 ASN HA H 1 4.725 0.01 . 1 . . . . 12 N HA . 15681 1 107 . 1 1 12 12 ASN HB2 H 1 2.753 0.01 . 2 . . . . 12 N HB1 . 15681 1 108 . 1 1 12 12 ASN HB3 H 1 2.850 0.01 . 2 . . . . 12 N HB2 . 15681 1 109 . 1 1 12 12 ASN HD21 H 1 7.650 0.01 . 2 . . . . 12 N HD21 . 15681 1 110 . 1 1 12 12 ASN HD22 H 1 6.960 0.01 . 2 . . . . 12 N HD22 . 15681 1 111 . 1 1 12 12 ASN C C 13 175.570 0.1 . 1 . . . . 12 N C . 15681 1 112 . 1 1 12 12 ASN CA C 13 52.929 0.1 . 1 . . . . 12 N CA . 15681 1 113 . 1 1 12 12 ASN CB C 13 38.851 0.1 . 1 . . . . 12 N CB . 15681 1 114 . 1 1 12 12 ASN CG C 13 177.660 0.1 . 1 . . . . 12 N CG . 15681 1 115 . 1 1 12 12 ASN N N 15 117.287 0.1 . 1 . . . . 12 N N . 15681 1 116 . 1 1 12 12 ASN ND2 N 15 111.800 0.1 . 1 . . . . 12 N ND2 . 15681 1 117 . 1 1 13 13 ILE H H 1 8.173 0.01 . 1 . . . . 13 I HN . 15681 1 118 . 1 1 13 13 ILE HA H 1 4.217 0.01 . 1 . . . . 13 I HA . 15681 1 119 . 1 1 13 13 ILE HB H 1 1.893 0.01 . 1 . . . . 13 I HB . 15681 1 120 . 1 1 13 13 ILE HD11 H 1 0.936 0.01 . 1 . . . . 13 I HD11 . 15681 1 121 . 1 1 13 13 ILE HD12 H 1 0.936 0.01 . 1 . . . . 13 I HD11 . 15681 1 122 . 1 1 13 13 ILE HD13 H 1 0.936 0.01 . 1 . . . . 13 I HD11 . 15681 1 123 . 1 1 13 13 ILE HG12 H 1 1.209 0.01 . 1 . . . . 13 I HG11 . 15681 1 124 . 1 1 13 13 ILE HG13 H 1 1.453 0.01 . 1 . . . . 13 I HG12 . 15681 1 125 . 1 1 13 13 ILE HG21 H 1 0.936 0.01 . 1 . . . . 13 I HG21 . 15681 1 126 . 1 1 13 13 ILE HG22 H 1 0.936 0.01 . 1 . . . . 13 I HG21 . 15681 1 127 . 1 1 13 13 ILE HG23 H 1 0.936 0.01 . 1 . . . . 13 I HG21 . 15681 1 128 . 1 1 13 13 ILE C C 13 176.620 0.1 . 1 . . . . 13 I C . 15681 1 129 . 1 1 13 13 ILE CA C 13 61.513 0.1 . 1 . . . . 13 I CA . 15681 1 130 . 1 1 13 13 ILE CB C 13 38.799 0.1 . 1 . . . . 13 I CB . 15681 1 131 . 1 1 13 13 ILE CG1 C 13 26.945 0.1 . 1 . . . . 13 I CG1 . 15681 1 132 . 1 1 13 13 ILE CG2 C 13 17.635 0.1 . 1 . . . . 13 I CG2 . 15681 1 133 . 1 1 13 13 ILE N N 15 120.216 0.1 . 1 . . . . 13 I N . 15681 1 134 . 1 1 14 14 GLU H H 1 8.490 0.01 . 1 . . . . 14 E HN . 15681 1 135 . 1 1 14 14 GLU HA H 1 4.290 0.01 . 1 . . . . 14 E HA . 15681 1 136 . 1 1 14 14 GLU HB2 H 1 1.990 0.01 . 2 . . . . 14 E HB1 . 15681 1 137 . 1 1 14 14 GLU HB3 H 1 1.990 0.01 . 2 . . . . 14 E HB2 . 15681 1 138 . 1 1 14 14 GLU HG2 H 1 2.270 0.01 . 2 . . . . 14 E HG1 . 15681 1 139 . 1 1 14 14 GLU HG3 H 1 2.270 0.01 . 2 . . . . 14 E HG2 . 15681 1 140 . 1 1 14 14 GLU C C 13 176.900 0.1 . 1 . . . . 14 E C . 15681 1 141 . 1 1 14 14 GLU CA C 13 56.539 0.1 . 1 . . . . 14 E CA . 15681 1 142 . 1 1 14 14 GLU CB C 13 30.289 0.1 . 1 . . . . 14 E CB . 15681 1 143 . 1 1 14 14 GLU CG C 13 35.915 0.1 . 1 . . . . 14 E CG . 15681 1 144 . 1 1 14 14 GLU N N 15 123.220 0.1 . 1 . . . . 14 E N . 15681 1 145 . 1 1 15 15 GLU H H 1 8.447 0.01 . 1 . . . . 15 E HN . 15681 1 146 . 1 1 15 15 GLU HA H 1 4.390 0.01 . 1 . . . . 15 E HA . 15681 1 147 . 1 1 15 15 GLU HB2 H 1 2.020 0.01 . 2 . . . . 15 E HB1 . 15681 1 148 . 1 1 15 15 GLU HB3 H 1 2.020 0.01 . 2 . . . . 15 E HB2 . 15681 1 149 . 1 1 15 15 GLU HG2 H 1 2.392 0.01 . 2 . . . . 15 E HG1 . 15681 1 150 . 1 1 15 15 GLU HG3 H 1 2.392 0.01 . 2 . . . . 15 E HG2 . 15681 1 151 . 1 1 15 15 GLU C C 13 176.740 0.1 . 1 . . . . 15 E C . 15681 1 152 . 1 1 15 15 GLU CA C 13 56.372 0.1 . 1 . . . . 15 E CA . 15681 1 153 . 1 1 15 15 GLU CB C 13 29.377 0.1 . 1 . . . . 15 E CB . 15681 1 154 . 1 1 15 15 GLU CG C 13 36.595 0.1 . 1 . . . . 15 E CG . 15681 1 155 . 1 1 15 15 GLU N N 15 119.700 0.1 . 1 . . . . 15 E N . 15681 1 156 . 1 1 16 16 ARG H H 1 8.380 0.01 . 1 . . . . 16 R HN . 15681 1 157 . 1 1 16 16 ARG HA H 1 4.590 0.01 . 1 . . . . 16 R HA . 15681 1 158 . 1 1 16 16 ARG HB2 H 1 1.780 0.01 . 2 . . . . 16 R HB1 . 15681 1 159 . 1 1 16 16 ARG HB3 H 1 1.780 0.01 . 2 . . . . 16 R HB2 . 15681 1 160 . 1 1 16 16 ARG HG2 H 1 1.720 0.01 . 2 . . . . 16 R HG1 . 15681 1 161 . 1 1 16 16 ARG HG3 H 1 1.720 0.01 . 2 . . . . 16 R HG2 . 15681 1 162 . 1 1 16 16 ARG CA C 13 54.095 0.1 . 1 . . . . 16 R CA . 15681 1 163 . 1 1 16 16 ARG CB C 13 30.165 0.1 . 1 . . . . 16 R CB . 15681 1 164 . 1 1 16 16 ARG N N 15 121.260 0.1 . 1 . . . . 16 R N . 15681 1 165 . 1 1 17 17 PRO HA H 1 4.471 0.01 . 1 . . . . 17 P HA . 15681 1 166 . 1 1 17 17 PRO HB2 H 1 1.990 0.01 . 2 . . . . 17 P HB1 . 15681 1 167 . 1 1 17 17 PRO HB3 H 1 2.312 0.01 . 2 . . . . 17 P HB2 . 15681 1 168 . 1 1 17 17 PRO HD2 H 1 3.700 0.01 . 2 . . . . 17 P HD1 . 15681 1 169 . 1 1 17 17 PRO HD3 H 1 3.700 0.01 . 2 . . . . 17 P HD2 . 15681 1 170 . 1 1 17 17 PRO HG2 H 1 1.990 0.01 . 2 . . . . 17 P HG1 . 15681 1 171 . 1 1 17 17 PRO HG3 H 1 1.990 0.01 . 2 . . . . 17 P HG2 . 15681 1 172 . 1 1 17 17 PRO C C 13 177.440 0.1 . 1 . . . . 17 P C . 15681 1 173 . 1 1 17 17 PRO CA C 13 63.495 0.1 . 1 . . . . 17 P CA . 15681 1 174 . 1 1 17 17 PRO CB C 13 31.585 0.1 . 1 . . . . 17 P CB . 15681 1 175 . 1 1 17 17 PRO CD C 13 50.835 0.1 . 1 . . . . 17 P CD . 15681 1 176 . 1 1 17 17 PRO CG C 13 26.935 0.1 . 1 . . . . 17 P CG . 15681 1 177 . 1 1 18 18 ILE H H 1 8.299 0.01 . 1 . . . . 18 I HN . 15681 1 178 . 1 1 18 18 ILE HA H 1 4.139 0.01 . 1 . . . . 18 I HA . 15681 1 179 . 1 1 18 18 ILE HB H 1 1.873 0.01 . 1 . . . . 18 I HB . 15681 1 180 . 1 1 18 18 ILE HG12 H 1 1.233 0.01 . 1 . . . . 18 I HG11 . 15681 1 181 . 1 1 18 18 ILE HG13 H 1 1.247 0.01 . 1 . . . . 18 I HG12 . 15681 1 182 . 1 1 18 18 ILE HG21 H 1 0.936 0.01 . 1 . . . . 18 I HG21 . 15681 1 183 . 1 1 18 18 ILE HG22 H 1 0.936 0.01 . 1 . . . . 18 I HG21 . 15681 1 184 . 1 1 18 18 ILE HG23 H 1 0.936 0.01 . 1 . . . . 18 I HG21 . 15681 1 185 . 1 1 18 18 ILE C C 13 176.740 0.1 . 1 . . . . 18 I C . 15681 1 186 . 1 1 18 18 ILE CA C 13 61.279 0.1 . 1 . . . . 18 I CA . 15681 1 187 . 1 1 18 18 ILE CB C 13 38.684 0.1 . 1 . . . . 18 I CB . 15681 1 188 . 1 1 18 18 ILE CG1 C 13 25.595 0.1 . 1 . . . . 18 I CG1 . 15681 1 189 . 1 1 18 18 ILE CG2 C 13 17.635 0.1 . 1 . . . . 18 I CG2 . 15681 1 190 . 1 1 18 18 ILE N N 15 120.350 0.1 . 1 . . . . 18 I N . 15681 1 191 . 1 1 19 19 LYS H H 1 8.393 0.01 . 1 . . . . 19 K HN . 15681 1 192 . 1 1 19 19 LYS HA H 1 4.315 0.01 . 1 . . . . 19 K HA . 15681 1 193 . 1 1 19 19 LYS HB2 H 1 1.757 0.01 . 2 . . . . 19 K HB1 . 15681 1 194 . 1 1 19 19 LYS HB3 H 1 1.835 0.01 . 2 . . . . 19 K HB2 . 15681 1 195 . 1 1 19 19 LYS HD2 H 1 1.730 0.01 . 2 . . . . 19 K HD1 . 15681 1 196 . 1 1 19 19 LYS HD3 H 1 1.730 0.01 . 2 . . . . 19 K HD2 . 15681 1 197 . 1 1 19 19 LYS HE2 H 1 3.050 0.01 . 2 . . . . 19 K HE1 . 15681 1 198 . 1 1 19 19 LYS HE3 H 1 3.050 0.01 . 2 . . . . 19 K HE2 . 15681 1 199 . 1 1 19 19 LYS HG2 H 1 1.463 0.01 . 2 . . . . 19 K HG1 . 15681 1 200 . 1 1 19 19 LYS HG3 H 1 1.463 0.01 . 2 . . . . 19 K HG2 . 15681 1 201 . 1 1 19 19 LYS C C 13 176.510 0.1 . 1 . . . . 19 K C . 15681 1 202 . 1 1 19 19 LYS CA C 13 56.133 0.1 . 1 . . . . 19 K CA . 15681 1 203 . 1 1 19 19 LYS CB C 13 33.051 0.1 . 1 . . . . 19 K CB . 15681 1 204 . 1 1 19 19 LYS CD C 13 29.255 0.1 . 1 . . . . 19 K CD . 15681 1 205 . 1 1 19 19 LYS CG C 13 24.595 0.1 . 1 . . . . 19 K CG . 15681 1 206 . 1 1 19 19 LYS N N 15 124.612 0.1 . 1 . . . . 19 K N . 15681 1 207 . 1 1 20 20 ALA H H 1 8.326 0.01 . 1 . . . . 20 A HN . 15681 1 208 . 1 1 20 20 ALA HA H 1 4.295 0.01 . 1 . . . . 20 A HA . 15681 1 209 . 1 1 20 20 ALA HB1 H 1 1.386 0.01 . 1 . . . . 20 A HB1 . 15681 1 210 . 1 1 20 20 ALA HB2 H 1 1.386 0.01 . 1 . . . . 20 A HB1 . 15681 1 211 . 1 1 20 20 ALA HB3 H 1 1.386 0.01 . 1 . . . . 20 A HB1 . 15681 1 212 . 1 1 20 20 ALA C C 13 177.790 0.1 . 1 . . . . 20 A C . 15681 1 213 . 1 1 20 20 ALA CA C 13 52.391 0.1 . 1 . . . . 20 A CA . 15681 1 214 . 1 1 20 20 ALA CB C 13 19.183 0.1 . 1 . . . . 20 A CB . 15681 1 215 . 1 1 20 20 ALA N N 15 124.782 0.1 . 1 . . . . 20 A N . 15681 1 216 . 1 1 21 21 ALA H H 1 8.363 0.01 . 1 . . . . 21 A HN . 15681 1 217 . 1 1 21 21 ALA HA H 1 4.354 0.01 . 1 . . . . 21 A HA . 15681 1 218 . 1 1 21 21 ALA HB1 H 1 1.405 0.01 . 1 . . . . 21 A HB1 . 15681 1 219 . 1 1 21 21 ALA HB2 H 1 1.405 0.01 . 1 . . . . 21 A HB1 . 15681 1 220 . 1 1 21 21 ALA HB3 H 1 1.405 0.01 . 1 . . . . 21 A HB1 . 15681 1 221 . 1 1 21 21 ALA C C 13 178.380 0.1 . 1 . . . . 21 A C . 15681 1 222 . 1 1 21 21 ALA CA C 13 52.391 0.1 . 1 . . . . 21 A CA . 15681 1 223 . 1 1 21 21 ALA CB C 13 19.183 0.1 . 1 . . . . 21 A CB . 15681 1 224 . 1 1 21 21 ALA N N 15 122.841 0.1 . 1 . . . . 21 A N . 15681 1 225 . 1 1 22 22 ILE H H 1 8.189 0.01 . 1 . . . . 22 I HN . 15681 1 226 . 1 1 22 22 ILE HA H 1 4.141 0.01 . 1 . . . . 22 I HA . 15681 1 227 . 1 1 22 22 ILE HB H 1 1.894 0.01 . 1 . . . . 22 I HB . 15681 1 228 . 1 1 22 22 ILE HD11 H 1 0.820 0.01 . 1 . . . . 22 I HD11 . 15681 1 229 . 1 1 22 22 ILE HD12 H 1 0.820 0.01 . 1 . . . . 22 I HD11 . 15681 1 230 . 1 1 22 22 ILE HD13 H 1 0.820 0.01 . 1 . . . . 22 I HD11 . 15681 1 231 . 1 1 22 22 ILE HG12 H 1 1.260 0.01 . 1 . . . . 22 I HG11 . 15681 1 232 . 1 1 22 22 ILE HG13 H 1 1.570 0.01 . 1 . . . . 22 I HG12 . 15681 1 233 . 1 1 22 22 ILE HG21 H 1 0.955 0.01 . 1 . . . . 22 I HG21 . 15681 1 234 . 1 1 22 22 ILE HG22 H 1 0.955 0.01 . 1 . . . . 22 I HG21 . 15681 1 235 . 1 1 22 22 ILE HG23 H 1 0.955 0.01 . 1 . . . . 22 I HG21 . 15681 1 236 . 1 1 22 22 ILE C C 13 177.220 0.1 . 1 . . . . 22 I C . 15681 1 237 . 1 1 22 22 ILE CA C 13 61.561 0.1 . 1 . . . . 22 I CA . 15681 1 238 . 1 1 22 22 ILE CB C 13 38.760 0.1 . 1 . . . . 22 I CB . 15681 1 239 . 1 1 22 22 ILE CG1 C 13 27.265 0.1 . 1 . . . . 22 I CG1 . 15681 1 240 . 1 1 22 22 ILE CG2 C 13 17.635 0.1 . 1 . . . . 22 I CG2 . 15681 1 241 . 1 1 22 22 ILE N N 15 119.117 0.1 . 1 . . . . 22 I N . 15681 1 242 . 1 1 23 23 GLY H H 1 8.492 0.01 . 1 . . . . 23 G HN . 15681 1 243 . 1 1 23 23 GLY HA2 H 1 3.983 0.01 . 2 . . . . 23 G HA1 . 15681 1 244 . 1 1 23 23 GLY HA3 H 1 3.983 0.01 . 2 . . . . 23 G HA2 . 15681 1 245 . 1 1 23 23 GLY C C 13 174.630 0.1 . 1 . . . . 23 G C . 15681 1 246 . 1 1 23 23 GLY CA C 13 45.184 0.1 . 1 . . . . 23 G CA . 15681 1 247 . 1 1 23 23 GLY N N 15 111.378 0.1 . 1 . . . . 23 G N . 15681 1 248 . 1 1 24 24 GLU H H 1 8.255 0.01 . 1 . . . . 24 E HN . 15681 1 249 . 1 1 24 24 GLU HA H 1 4.314 0.01 . 1 . . . . 24 E HA . 15681 1 250 . 1 1 24 24 GLU HB2 H 1 2.050 0.01 . 2 . . . . 24 E HB1 . 15681 1 251 . 1 1 24 24 GLU HB3 H 1 2.050 0.01 . 2 . . . . 24 E HB2 . 15681 1 252 . 1 1 24 24 GLU HG2 H 1 2.283 0.01 . 2 . . . . 24 E HG1 . 15681 1 253 . 1 1 24 24 GLU HG3 H 1 2.283 0.01 . 2 . . . . 24 E HG2 . 15681 1 254 . 1 1 24 24 GLU C C 13 176.740 0.1 . 1 . . . . 24 E C . 15681 1 255 . 1 1 24 24 GLU CA C 13 56.841 0.1 . 1 . . . . 24 E CA . 15681 1 256 . 1 1 24 24 GLU CB C 13 28.931 0.1 . 1 . . . . 24 E CB . 15681 1 257 . 1 1 24 24 GLU CG C 13 36.555 0.1 . 1 . . . . 24 E CG . 15681 1 258 . 1 1 24 24 GLU N N 15 119.581 0.1 . 1 . . . . 24 E N . 15681 1 259 . 1 1 25 25 ARG H H 1 8.430 0.01 . 1 . . . . 25 R HN . 15681 1 260 . 1 1 25 25 ARG HA H 1 4.340 0.01 . 1 . . . . 25 R HA . 15681 1 261 . 1 1 25 25 ARG HB2 H 1 1.840 0.01 . 2 . . . . 25 R HB1 . 15681 1 262 . 1 1 25 25 ARG HB3 H 1 1.840 0.01 . 2 . . . . 25 R HB2 . 15681 1 263 . 1 1 25 25 ARG HD2 H 1 3.220 0.01 . 2 . . . . 25 R HD1 . 15681 1 264 . 1 1 25 25 ARG HD3 H 1 3.220 0.01 . 2 . . . . 25 R HD2 . 15681 1 265 . 1 1 25 25 ARG HG2 H 1 1.660 0.01 . 2 . . . . 25 R HG1 . 15681 1 266 . 1 1 25 25 ARG HG3 H 1 1.660 0.01 . 2 . . . . 25 R HG2 . 15681 1 267 . 1 1 25 25 ARG C C 13 176.390 0.1 . 1 . . . . 25 R C . 15681 1 268 . 1 1 25 25 ARG CA C 13 56.306 0.1 . 1 . . . . 25 R CA . 15681 1 269 . 1 1 25 25 ARG CB C 13 30.550 0.1 . 1 . . . . 25 R CB . 15681 1 270 . 1 1 25 25 ARG CD C 13 43.535 0.1 . 1 . . . . 25 R CD . 15681 1 271 . 1 1 25 25 ARG CG C 13 26.925 0.1 . 1 . . . . 25 R CG . 15681 1 272 . 1 1 25 25 ARG N N 15 121.260 0.1 . 1 . . . . 25 R N . 15681 1 273 . 1 1 26 26 LYS H H 1 8.475 0.01 . 1 . . . . 26 K HN . 15681 1 274 . 1 1 26 26 LYS HA H 1 4.310 0.01 . 1 . . . . 26 K HA . 15681 1 275 . 1 1 26 26 LYS HB2 H 1 1.770 0.01 . 2 . . . . 26 K HB1 . 15681 1 276 . 1 1 26 26 LYS HB3 H 1 1.810 0.01 . 2 . . . . 26 K HB2 . 15681 1 277 . 1 1 26 26 LYS HD2 H 1 1.690 0.01 . 2 . . . . 26 K HD1 . 15681 1 278 . 1 1 26 26 LYS HD3 H 1 1.690 0.01 . 2 . . . . 26 K HD2 . 15681 1 279 . 1 1 26 26 LYS HE2 H 1 3.020 0.01 . 2 . . . . 26 K HE1 . 15681 1 280 . 1 1 26 26 LYS HE3 H 1 3.020 0.01 . 2 . . . . 26 K HE2 . 15681 1 281 . 1 1 26 26 LYS HG2 H 1 1.460 0.01 . 2 . . . . 26 K HG1 . 15681 1 282 . 1 1 26 26 LYS HG3 H 1 1.460 0.01 . 2 . . . . 26 K HG2 . 15681 1 283 . 1 1 26 26 LYS C C 13 176.860 0.1 . 1 . . . . 26 K C . 15681 1 284 . 1 1 26 26 LYS CA C 13 56.382 0.1 . 1 . . . . 26 K CA . 15681 1 285 . 1 1 26 26 LYS CB C 13 32.971 0.1 . 1 . . . . 26 K CB . 15681 1 286 . 1 1 26 26 LYS CD C 13 29.255 0.1 . 1 . . . . 26 K CD . 15681 1 287 . 1 1 26 26 LYS CG C 13 24.605 0.1 . 1 . . . . 26 K CG . 15681 1 288 . 1 1 26 26 LYS N N 15 122.240 0.1 . 1 . . . . 26 K N . 15681 1 289 . 1 1 27 27 GLN H H 1 8.530 0.01 . 1 . . . . 27 Q HN . 15681 1 290 . 1 1 27 27 GLN HA H 1 4.413 0.01 . 1 . . . . 27 Q HA . 15681 1 291 . 1 1 27 27 GLN HB2 H 1 2.029 0.01 . 2 . . . . 27 Q HB1 . 15681 1 292 . 1 1 27 27 GLN HB3 H 1 2.029 0.01 . 2 . . . . 27 Q HB2 . 15681 1 293 . 1 1 27 27 GLN HG2 H 1 2.343 0.01 . 2 . . . . 27 Q HG1 . 15681 1 294 . 1 1 27 27 GLN HG3 H 1 2.343 0.01 . 2 . . . . 27 Q HG2 . 15681 1 295 . 1 1 27 27 GLN C C 13 176.380 0.1 . 1 . . . . 27 Q C . 15681 1 296 . 1 1 27 27 GLN CA C 13 56.375 0.1 . 1 . . . . 27 Q CA . 15681 1 297 . 1 1 27 27 GLN CB C 13 29.811 0.1 . 1 . . . . 27 Q CB . 15681 1 298 . 1 1 27 27 GLN CG C 13 33.905 0.1 . 1 . . . . 27 Q CG . 15681 1 299 . 1 1 27 27 GLN N N 15 120.870 0.1 . 1 . . . . 27 Q N . 15681 1 300 . 1 1 28 28 THR H H 1 8.379 0.01 . 1 . . . . 28 T HN . 15681 1 301 . 1 1 28 28 THR HA H 1 4.410 0.01 . 1 . . . . 28 T HA . 15681 1 302 . 1 1 28 28 THR HB H 1 4.350 0.01 . 1 . . . . 28 T HB . 15681 1 303 . 1 1 28 28 THR HG21 H 1 1.209 0.01 . 1 . . . . 28 T HG21 . 15681 1 304 . 1 1 28 28 THR HG22 H 1 1.209 0.01 . 1 . . . . 28 T HG21 . 15681 1 305 . 1 1 28 28 THR HG23 H 1 1.209 0.01 . 1 . . . . 28 T HG21 . 15681 1 306 . 1 1 28 28 THR C C 13 174.980 0.1 . 1 . . . . 28 T C . 15681 1 307 . 1 1 28 28 THR CA C 13 61.563 0.1 . 1 . . . . 28 T CA . 15681 1 308 . 1 1 28 28 THR CB C 13 70.252 0.1 . 1 . . . . 28 T CB . 15681 1 309 . 1 1 28 28 THR CG2 C 13 21.945 0.1 . 1 . . . . 28 T CG2 . 15681 1 310 . 1 1 28 28 THR N N 15 114.210 0.1 . 1 . . . . 28 T N . 15681 1 311 . 1 1 29 29 PHE H H 1 8.515 0.01 . 1 . . . . 29 F HN . 15681 1 312 . 1 1 29 29 PHE HA H 1 4.588 0.01 . 1 . . . . 29 F HA . 15681 1 313 . 1 1 29 29 PHE HB2 H 1 3.124 0.01 . 2 . . . . 29 F HB1 . 15681 1 314 . 1 1 29 29 PHE HB3 H 1 3.124 0.01 . 2 . . . . 29 F HB2 . 15681 1 315 . 1 1 29 29 PHE HD1 H 1 7.280 0.01 . 3 . . . . 29 F HD1 . 15681 1 316 . 1 1 29 29 PHE HD2 H 1 7.280 0.01 . 3 . . . . 29 F HD2 . 15681 1 317 . 1 1 29 29 PHE HE1 H 1 7.385 0.01 . 3 . . . . 29 F HE1 . 15681 1 318 . 1 1 29 29 PHE HE2 H 1 7.385 0.01 . 3 . . . . 29 F HE2 . 15681 1 319 . 1 1 29 29 PHE HZ H 1 7.310 0.01 . 1 . . . . 29 F HZ . 15681 1 320 . 1 1 29 29 PHE C C 13 176.510 0.1 . 1 . . . . 29 F C . 15681 1 321 . 1 1 29 29 PHE CA C 13 58.698 0.1 . 1 . . . . 29 F CA . 15681 1 322 . 1 1 29 29 PHE CB C 13 39.053 0.1 . 1 . . . . 29 F CB . 15681 1 323 . 1 1 29 29 PHE CD1 C 13 131.815 0.1 . 3 . . . . 29 F CD1 . 15681 1 324 . 1 1 29 29 PHE CD2 C 13 131.815 0.1 . 3 . . . . 29 F CD2 . 15681 1 325 . 1 1 29 29 PHE CE1 C 13 131.865 0.1 . 3 . . . . 29 F CE1 . 15681 1 326 . 1 1 29 29 PHE CE2 C 13 131.865 0.1 . 3 . . . . 29 F CE2 . 15681 1 327 . 1 1 29 29 PHE CZ C 13 129.595 0.1 . 1 . . . . 29 F CZ . 15681 1 328 . 1 1 29 29 PHE N N 15 120.803 0.1 . 1 . . . . 29 F N . 15681 1 329 . 1 1 30 30 GLU H H 1 8.515 0.01 . 1 . . . . 30 E HN . 15681 1 330 . 1 1 30 30 GLU HA H 1 4.119 0.01 . 1 . . . . 30 E HA . 15681 1 331 . 1 1 30 30 GLU HB2 H 1 1.932 0.01 . 2 . . . . 30 E HB1 . 15681 1 332 . 1 1 30 30 GLU HB3 H 1 2.049 0.01 . 2 . . . . 30 E HB2 . 15681 1 333 . 1 1 30 30 GLU HG2 H 1 2.262 0.01 . 2 . . . . 30 E HG1 . 15681 1 334 . 1 1 30 30 GLU HG3 H 1 1.932 0.01 . 2 . . . . 30 E HG2 . 15681 1 335 . 1 1 30 30 GLU C C 13 177.330 0.1 . 1 . . . . 30 E C . 15681 1 336 . 1 1 30 30 GLU CA C 13 58.011 0.1 . 1 . . . . 30 E CA . 15681 1 337 . 1 1 30 30 GLU CB C 13 29.899 0.1 . 1 . . . . 30 E CB . 15681 1 338 . 1 1 30 30 GLU CG C 13 36.655 0.1 . 1 . . . . 30 E CG . 15681 1 339 . 1 1 30 30 GLU N N 15 119.545 0.1 . 1 . . . . 30 E N . 15681 1 340 . 1 1 31 31 ASP H H 1 8.148 0.01 . 1 . . . . 31 D HN . 15681 1 341 . 1 1 31 31 ASP HA H 1 4.491 0.01 . 1 . . . . 31 D HA . 15681 1 342 . 1 1 31 31 ASP HB2 H 1 2.674 0.01 . 2 . . . . 31 D HB1 . 15681 1 343 . 1 1 31 31 ASP HB3 H 1 2.674 0.01 . 2 . . . . 31 D HB2 . 15681 1 344 . 1 1 31 31 ASP C C 13 177.320 0.1 . 1 . . . . 31 D C . 15681 1 345 . 1 1 31 31 ASP CA C 13 55.293 0.1 . 1 . . . . 31 D CA . 15681 1 346 . 1 1 31 31 ASP CB C 13 41.136 0.1 . 1 . . . . 31 D CB . 15681 1 347 . 1 1 31 31 ASP N N 15 119.411 0.1 . 1 . . . . 31 D N . 15681 1 348 . 1 1 32 32 TYR H H 1 8.071 0.01 . 1 . . . . 32 Y HN . 15681 1 349 . 1 1 32 32 TYR HA H 1 4.461 0.01 . 1 . . . . 32 Y HA . 15681 1 350 . 1 1 32 32 TYR HB2 H 1 3.086 0.01 . 2 . . . . 32 Y HB1 . 15681 1 351 . 1 1 32 32 TYR HB3 H 1 3.086 0.01 . 2 . . . . 32 Y HB2 . 15681 1 352 . 1 1 32 32 TYR HD1 H 1 7.108 0.01 . 3 . . . . 32 Y HD1 . 15681 1 353 . 1 1 32 32 TYR HD2 H 1 7.108 0.01 . 3 . . . . 32 Y HD2 . 15681 1 354 . 1 1 32 32 TYR HE1 H 1 6.850 0.01 . 3 . . . . 32 Y HE1 . 15681 1 355 . 1 1 32 32 TYR HE2 H 1 6.850 0.01 . 3 . . . . 32 Y HE2 . 15681 1 356 . 1 1 32 32 TYR C C 13 176.740 0.1 . 1 . . . . 32 Y C . 15681 1 357 . 1 1 32 32 TYR CA C 13 58.930 0.1 . 1 . . . . 32 Y CA . 15681 1 358 . 1 1 32 32 TYR CB C 13 38.222 0.1 . 1 . . . . 32 Y CB . 15681 1 359 . 1 1 32 32 TYR CD1 C 13 132.030 0.1 . 3 . . . . 32 Y CD1 . 15681 1 360 . 1 1 32 32 TYR CD2 C 13 132.030 0.1 . 3 . . . . 32 Y CD2 . 15681 1 361 . 1 1 32 32 TYR CE1 C 13 118.425 0.1 . 3 . . . . 32 Y CE1 . 15681 1 362 . 1 1 32 32 TYR CE2 C 13 118.425 0.1 . 3 . . . . 32 Y CE2 . 15681 1 363 . 1 1 32 32 TYR N N 15 119.595 0.1 . 1 . . . . 32 Y N . 15681 1 364 . 1 1 33 33 LEU H H 1 8.087 0.01 . 1 . . . . 33 L HN . 15681 1 365 . 1 1 33 33 LEU HA H 1 4.119 0.01 . 1 . . . . 33 L HA . 15681 1 366 . 1 1 33 33 LEU HB2 H 1 1.620 0.01 . 2 . . . . 33 L HB1 . 15681 1 367 . 1 1 33 33 LEU HB3 H 1 1.620 0.01 . 2 . . . . 33 L HB2 . 15681 1 368 . 1 1 33 33 LEU HD11 H 1 0.877 0.01 . 2 . . . . 33 L HD11 . 15681 1 369 . 1 1 33 33 LEU HD12 H 1 0.877 0.01 . 2 . . . . 33 L HD11 . 15681 1 370 . 1 1 33 33 LEU HD13 H 1 0.877 0.01 . 2 . . . . 33 L HD11 . 15681 1 371 . 1 1 33 33 LEU HD21 H 1 0.877 0.01 . 2 . . . . 33 L HD21 . 15681 1 372 . 1 1 33 33 LEU HD22 H 1 0.877 0.01 . 2 . . . . 33 L HD21 . 15681 1 373 . 1 1 33 33 LEU HD23 H 1 0.877 0.01 . 2 . . . . 33 L HD21 . 15681 1 374 . 1 1 33 33 LEU HG H 1 1.483 0.01 . 1 . . . . 33 L HG . 15681 1 375 . 1 1 33 33 LEU C C 13 178.380 0.1 . 1 . . . . 33 L C . 15681 1 376 . 1 1 33 33 LEU CA C 13 56.197 0.1 . 1 . . . . 33 L CA . 15681 1 377 . 1 1 33 33 LEU CB C 13 42.215 0.1 . 1 . . . . 33 L CB . 15681 1 378 . 1 1 33 33 LEU CD1 C 13 24.600 0.1 . 1 . . . . 33 L CD1 . 15681 1 379 . 1 1 33 33 LEU CD2 C 13 23.940 0.1 . 1 . . . . 33 L CD2 . 15681 1 380 . 1 1 33 33 LEU CG C 13 26.925 0.1 . 1 . . . . 33 L CG . 15681 1 381 . 1 1 33 33 LEU N N 15 121.658 0.1 . 1 . . . . 33 L N . 15681 1 382 . 1 1 34 34 GLU H H 1 8.150 0.01 . 1 . . . . 34 E HN . 15681 1 383 . 1 1 34 34 GLU HA H 1 4.150 0.01 . 1 . . . . 34 E HA . 15681 1 384 . 1 1 34 34 GLU HB2 H 1 2.060 0.01 . 2 . . . . 34 E HB1 . 15681 1 385 . 1 1 34 34 GLU HB3 H 1 2.060 0.01 . 2 . . . . 34 E HB2 . 15681 1 386 . 1 1 34 34 GLU HG2 H 1 2.320 0.01 . 2 . . . . 34 E HG1 . 15681 1 387 . 1 1 34 34 GLU HG3 H 1 2.320 0.01 . 2 . . . . 34 E HG2 . 15681 1 388 . 1 1 34 34 GLU C C 13 177.910 0.1 . 1 . . . . 34 E C . 15681 1 389 . 1 1 34 34 GLU CA C 13 57.475 0.1 . 1 . . . . 34 E CA . 15681 1 390 . 1 1 34 34 GLU CB C 13 29.735 0.1 . 1 . . . . 34 E CB . 15681 1 391 . 1 1 34 34 GLU CG C 13 35.895 0.1 . 1 . . . . 34 E CG . 15681 1 392 . 1 1 34 34 GLU N N 15 119.500 0.1 . 1 . . . . 34 E N . 15681 1 393 . 1 1 35 35 GLU H H 1 8.250 0.01 . 1 . . . . 35 E HN . 15681 1 394 . 1 1 35 35 GLU HA H 1 4.180 0.01 . 1 . . . . 35 E HA . 15681 1 395 . 1 1 35 35 GLU HB2 H 1 2.000 0.01 . 2 . . . . 35 E HB1 . 15681 1 396 . 1 1 35 35 GLU HB3 H 1 2.000 0.01 . 2 . . . . 35 E HB2 . 15681 1 397 . 1 1 35 35 GLU HG2 H 1 2.270 0.01 . 2 . . . . 35 E HG1 . 15681 1 398 . 1 1 35 35 GLU HG3 H 1 2.270 0.01 . 2 . . . . 35 E HG2 . 15681 1 399 . 1 1 35 35 GLU C C 13 177.280 0.1 . 1 . . . . 35 E C . 15681 1 400 . 1 1 35 35 GLU CA C 13 58.572 0.1 . 1 . . . . 35 E CA . 15681 1 401 . 1 1 35 35 GLU CB C 13 29.637 0.1 . 1 . . . . 35 E CB . 15681 1 402 . 1 1 35 35 GLU CG C 13 36.225 0.1 . 1 . . . . 35 E CG . 15681 1 403 . 1 1 35 35 GLU N N 15 119.500 0.1 . 1 . . . . 35 E N . 15681 1 404 . 1 1 36 36 GLN H H 1 8.330 0.01 . 1 . . . . 36 Q HN . 15681 1 405 . 1 1 36 36 GLN HA H 1 4.178 0.01 . 1 . . . . 36 Q HA . 15681 1 406 . 1 1 36 36 GLN HB2 H 1 2.150 0.01 . 2 . . . . 36 Q HB1 . 15681 1 407 . 1 1 36 36 GLN HB3 H 1 2.150 0.01 . 2 . . . . 36 Q HB2 . 15681 1 408 . 1 1 36 36 GLN HG2 H 1 2.480 0.01 . 2 . . . . 36 Q HG1 . 15681 1 409 . 1 1 36 36 GLN HG3 H 1 2.480 0.01 . 2 . . . . 36 Q HG2 . 15681 1 410 . 1 1 36 36 GLN C C 13 177.560 0.1 . 1 . . . . 36 Q C . 15681 1 411 . 1 1 36 36 GLN CA C 13 56.803 0.1 . 1 . . . . 36 Q CA . 15681 1 412 . 1 1 36 36 GLN CB C 13 28.938 0.1 . 1 . . . . 36 Q CB . 15681 1 413 . 1 1 36 36 GLN CG C 13 35.565 0.1 . 1 . . . . 36 Q CG . 15681 1 414 . 1 1 36 36 GLN N N 15 118.340 0.1 . 1 . . . . 36 Q N . 15681 1 415 . 1 1 37 37 ILE H H 1 8.126 0.01 . 1 . . . . 37 I HN . 15681 1 416 . 1 1 37 37 ILE HA H 1 4.002 0.01 . 1 . . . . 37 I HA . 15681 1 417 . 1 1 37 37 ILE HB H 1 1.892 0.01 . 1 . . . . 37 I HB . 15681 1 418 . 1 1 37 37 ILE HD11 H 1 0.917 0.01 . 1 . . . . 37 I HD11 . 15681 1 419 . 1 1 37 37 ILE HD12 H 1 0.917 0.01 . 1 . . . . 37 I HD11 . 15681 1 420 . 1 1 37 37 ILE HD13 H 1 0.917 0.01 . 1 . . . . 37 I HD11 . 15681 1 421 . 1 1 37 37 ILE HG12 H 1 1.190 0.01 . 1 . . . . 37 I HG11 . 15681 1 422 . 1 1 37 37 ILE HG21 H 1 0.917 0.01 . 1 . . . . 37 I HG21 . 15681 1 423 . 1 1 37 37 ILE HG22 H 1 0.917 0.01 . 1 . . . . 37 I HG21 . 15681 1 424 . 1 1 37 37 ILE HG23 H 1 0.917 0.01 . 1 . . . . 37 I HG21 . 15681 1 425 . 1 1 37 37 ILE C C 13 177.910 0.1 . 1 . . . . 37 I C . 15681 1 426 . 1 1 37 37 ILE CA C 13 62.925 0.1 . 1 . . . . 37 I CA . 15681 1 427 . 1 1 37 37 ILE CB C 13 38.345 0.1 . 1 . . . . 37 I CB . 15681 1 428 . 1 1 37 37 ILE CG1 C 13 28.255 0.1 . 1 . . . . 37 I CG1 . 15681 1 429 . 1 1 37 37 ILE CG2 C 13 17.305 0.1 . 1 . . . . 37 I CG2 . 15681 1 430 . 1 1 37 37 ILE N N 15 120.534 0.1 . 1 . . . . 37 I N . 15681 1 431 . 1 1 38 38 GLN H H 1 8.380 0.01 . 1 . . . . 38 Q HN . 15681 1 432 . 1 1 38 38 GLN HA H 1 4.280 0.01 . 1 . . . . 38 Q HA . 15681 1 433 . 1 1 38 38 GLN HB2 H 1 2.090 0.01 . 2 . . . . 38 Q HB1 . 15681 1 434 . 1 1 38 38 GLN HB3 H 1 2.090 0.01 . 2 . . . . 38 Q HB2 . 15681 1 435 . 1 1 38 38 GLN HG2 H 1 2.430 0.01 . 2 . . . . 38 Q HG1 . 15681 1 436 . 1 1 38 38 GLN HG3 H 1 2.430 0.01 . 2 . . . . 38 Q HG2 . 15681 1 437 . 1 1 38 38 GLN C C 13 177.560 0.1 . 1 . . . . 38 Q C . 15681 1 438 . 1 1 38 38 GLN CA C 13 56.905 0.1 . 1 . . . . 38 Q CA . 15681 1 439 . 1 1 38 38 GLN CB C 13 29.187 0.1 . 1 . . . . 38 Q CB . 15681 1 440 . 1 1 38 38 GLN CG C 13 33.555 0.1 . 1 . . . . 38 Q CG . 15681 1 441 . 1 1 38 38 GLN N N 15 121.260 0.1 . 1 . . . . 38 Q N . 15681 1 442 . 1 1 39 39 LEU H H 1 8.270 0.01 . 1 . . . . 39 L HN . 15681 1 443 . 1 1 39 39 LEU HA H 1 4.270 0.01 . 1 . . . . 39 L HA . 15681 1 444 . 1 1 39 39 LEU HB2 H 1 1.680 0.01 . 2 . . . . 39 L HB1 . 15681 1 445 . 1 1 39 39 LEU HB3 H 1 1.680 0.01 . 2 . . . . 39 L HB2 . 15681 1 446 . 1 1 39 39 LEU HD11 H 1 0.930 0.01 . 2 . . . . 39 L HD11 . 15681 1 447 . 1 1 39 39 LEU HD12 H 1 0.930 0.01 . 2 . . . . 39 L HD11 . 15681 1 448 . 1 1 39 39 LEU HD13 H 1 0.930 0.01 . 2 . . . . 39 L HD11 . 15681 1 449 . 1 1 39 39 LEU HD21 H 1 0.930 0.01 . 2 . . . . 39 L HD21 . 15681 1 450 . 1 1 39 39 LEU HD22 H 1 0.930 0.01 . 2 . . . . 39 L HD21 . 15681 1 451 . 1 1 39 39 LEU HD23 H 1 0.930 0.01 . 2 . . . . 39 L HD21 . 15681 1 452 . 1 1 39 39 LEU HG H 1 1.620 0.01 . 1 . . . . 39 L HG . 15681 1 453 . 1 1 39 39 LEU C C 13 178.380 0.1 . 1 . . . . 39 L C . 15681 1 454 . 1 1 39 39 LEU CA C 13 56.505 0.1 . 1 . . . . 39 L CA . 15681 1 455 . 1 1 39 39 LEU CB C 13 42.344 0.1 . 1 . . . . 39 L CB . 15681 1 456 . 1 1 39 39 LEU CD1 C 13 24.940 0.1 . 1 . . . . 39 L CD1 . 15681 1 457 . 1 1 39 39 LEU CD2 C 13 23.270 0.1 . 1 . . . . 39 L CD2 . 15681 1 458 . 1 1 39 39 LEU CG C 13 26.925 0.1 . 1 . . . . 39 L CG . 15681 1 459 . 1 1 39 39 LEU N N 15 121.650 0.1 . 1 . . . . 39 L N . 15681 1 460 . 1 1 40 40 GLU H H 1 8.400 0.01 . 1 . . . . 40 E HN . 15681 1 461 . 1 1 40 40 GLU HA H 1 4.200 0.01 . 1 . . . . 40 E HA . 15681 1 462 . 1 1 40 40 GLU HB2 H 1 2.090 0.01 . 2 . . . . 40 E HB1 . 15681 1 463 . 1 1 40 40 GLU HB3 H 1 2.090 0.01 . 2 . . . . 40 E HB2 . 15681 1 464 . 1 1 40 40 GLU HG2 H 1 2.370 0.01 . 2 . . . . 40 E HG1 . 15681 1 465 . 1 1 40 40 GLU HG3 H 1 2.370 0.01 . 2 . . . . 40 E HG2 . 15681 1 466 . 1 1 40 40 GLU C C 13 177.680 0.1 . 1 . . . . 40 E C . 15681 1 467 . 1 1 40 40 GLU CA C 13 57.975 0.1 . 1 . . . . 40 E CA . 15681 1 468 . 1 1 40 40 GLU CB C 13 29.105 0.1 . 1 . . . . 40 E CB . 15681 1 469 . 1 1 40 40 GLU CG C 13 36.225 0.1 . 1 . . . . 40 E CG . 15681 1 470 . 1 1 40 40 GLU N N 15 119.700 0.1 . 1 . . . . 40 E N . 15681 1 471 . 1 1 41 41 GLU H H 1 8.255 0.01 . 1 . . . . 41 E HN . 15681 1 472 . 1 1 41 41 GLU HA H 1 4.180 0.01 . 1 . . . . 41 E HA . 15681 1 473 . 1 1 41 41 GLU HB2 H 1 2.050 0.01 . 2 . . . . 41 E HB1 . 15681 1 474 . 1 1 41 41 GLU HB3 H 1 2.050 0.01 . 2 . . . . 41 E HB2 . 15681 1 475 . 1 1 41 41 GLU HG2 H 1 2.300 0.01 . 2 . . . . 41 E HG1 . 15681 1 476 . 1 1 41 41 GLU HG3 H 1 2.300 0.01 . 2 . . . . 41 E HG2 . 15681 1 477 . 1 1 41 41 GLU C C 13 178.400 0.1 . 1 . . . . 41 E C . 15681 1 478 . 1 1 41 41 GLU CA C 13 57.000 0.1 . 1 . . . . 41 E CA . 15681 1 479 . 1 1 41 41 GLU CB C 13 29.195 0.1 . 1 . . . . 41 E CB . 15681 1 480 . 1 1 41 41 GLU CG C 13 35.895 0.1 . 1 . . . . 41 E CG . 15681 1 481 . 1 1 41 41 GLU N N 15 118.920 0.1 . 1 . . . . 41 E N . 15681 1 482 . 1 1 42 42 GLN H H 1 8.370 0.01 . 1 . . . . 42 Q HN . 15681 1 483 . 1 1 42 42 GLN HA H 1 4.200 0.01 . 1 . . . . 42 Q HA . 15681 1 484 . 1 1 42 42 GLN HB2 H 1 2.050 0.01 . 2 . . . . 42 Q HB1 . 15681 1 485 . 1 1 42 42 GLN HB3 H 1 2.050 0.01 . 2 . . . . 42 Q HB2 . 15681 1 486 . 1 1 42 42 GLN HG2 H 1 2.390 0.01 . 2 . . . . 42 Q HG1 . 15681 1 487 . 1 1 42 42 GLN HG3 H 1 2.390 0.01 . 2 . . . . 42 Q HG2 . 15681 1 488 . 1 1 42 42 GLN C C 13 177.910 0.1 . 1 . . . . 42 Q C . 15681 1 489 . 1 1 42 42 GLN CA C 13 57.895 0.1 . 1 . . . . 42 Q CA . 15681 1 490 . 1 1 42 42 GLN CB C 13 28.595 0.1 . 1 . . . . 42 Q CB . 15681 1 491 . 1 1 42 42 GLN CG C 13 33.575 0.1 . 1 . . . . 42 Q CG . 15681 1 492 . 1 1 42 42 GLN N N 15 119.510 0.1 . 1 . . . . 42 Q N . 15681 1 493 . 1 1 43 43 GLU H H 1 8.320 0.01 . 1 . . . . 43 E HN . 15681 1 494 . 1 1 43 43 GLU HA H 1 4.200 0.01 . 1 . . . . 43 E HA . 15681 1 495 . 1 1 43 43 GLU HB2 H 1 2.070 0.01 . 2 . . . . 43 E HB1 . 15681 1 496 . 1 1 43 43 GLU HB3 H 1 2.070 0.01 . 2 . . . . 43 E HB2 . 15681 1 497 . 1 1 43 43 GLU HG2 H 1 2.320 0.01 . 2 . . . . 43 E HG1 . 15681 1 498 . 1 1 43 43 GLU HG3 H 1 2.320 0.01 . 2 . . . . 43 E HG2 . 15681 1 499 . 1 1 43 43 GLU C C 13 178.490 0.1 . 1 . . . . 43 E C . 15681 1 500 . 1 1 43 43 GLU CA C 13 57.745 0.1 . 1 . . . . 43 E CA . 15681 1 501 . 1 1 43 43 GLU CB C 13 29.095 0.1 . 1 . . . . 43 E CB . 15681 1 502 . 1 1 43 43 GLU CG C 13 35.565 0.1 . 1 . . . . 43 E CG . 15681 1 503 . 1 1 43 43 GLU N N 15 119.510 0.1 . 1 . . . . 43 E N . 15681 1 504 . 1 1 44 44 LEU H H 1 8.115 0.01 . 1 . . . . 44 L HN . 15681 1 505 . 1 1 44 44 LEU HA H 1 4.320 0.01 . 1 . . . . 44 L HA . 15681 1 506 . 1 1 44 44 LEU HB2 H 1 1.650 0.01 . 2 . . . . 44 L HB1 . 15681 1 507 . 1 1 44 44 LEU HB3 H 1 1.650 0.01 . 2 . . . . 44 L HB2 . 15681 1 508 . 1 1 44 44 LEU HD11 H 1 0.920 0.01 . 2 . . . . 44 L HD11 . 15681 1 509 . 1 1 44 44 LEU HD12 H 1 0.920 0.01 . 2 . . . . 44 L HD11 . 15681 1 510 . 1 1 44 44 LEU HD13 H 1 0.920 0.01 . 2 . . . . 44 L HD11 . 15681 1 511 . 1 1 44 44 LEU HD21 H 1 0.920 0.01 . 2 . . . . 44 L HD21 . 15681 1 512 . 1 1 44 44 LEU HD22 H 1 0.920 0.01 . 2 . . . . 44 L HD21 . 15681 1 513 . 1 1 44 44 LEU HD23 H 1 0.920 0.01 . 2 . . . . 44 L HD21 . 15681 1 514 . 1 1 44 44 LEU HG H 1 1.650 0.01 . 1 . . . . 44 L HG . 15681 1 515 . 1 1 44 44 LEU C C 13 178.960 0.1 . 1 . . . . 44 L C . 15681 1 516 . 1 1 44 44 LEU CA C 13 56.436 0.1 . 1 . . . . 44 L CA . 15681 1 517 . 1 1 44 44 LEU CB C 13 42.052 0.1 . 1 . . . . 44 L CB . 15681 1 518 . 1 1 44 44 LEU CD1 C 13 24.600 0.1 . 1 . . . . 44 L CD1 . 15681 1 519 . 1 1 44 44 LEU CD2 C 13 23.940 0.1 . 1 . . . . 44 L CD2 . 15681 1 520 . 1 1 44 44 LEU CG C 13 26.925 0.1 . 1 . . . . 44 L CG . 15681 1 521 . 1 1 44 44 LEU N N 15 120.480 0.1 . 1 . . . . 44 L N . 15681 1 522 . 1 1 45 45 LYS H H 1 8.134 0.01 . 1 . . . . 45 K HN . 15681 1 523 . 1 1 45 45 LYS HA H 1 4.180 0.01 . 1 . . . . 45 K HA . 15681 1 524 . 1 1 45 45 LYS HB2 H 1 1.890 0.01 . 2 . . . . 45 K HB1 . 15681 1 525 . 1 1 45 45 LYS HB3 H 1 1.890 0.01 . 2 . . . . 45 K HB2 . 15681 1 526 . 1 1 45 45 LYS HD2 H 1 1.680 0.01 . 2 . . . . 45 K HD1 . 15681 1 527 . 1 1 45 45 LYS HD3 H 1 1.680 0.01 . 2 . . . . 45 K HD2 . 15681 1 528 . 1 1 45 45 LYS HE2 H 1 3.000 0.01 . 2 . . . . 45 K HE1 . 15681 1 529 . 1 1 45 45 LYS HE3 H 1 3.000 0.01 . 2 . . . . 45 K HE2 . 15681 1 530 . 1 1 45 45 LYS HG2 H 1 1.520 0.01 . 2 . . . . 45 K HG1 . 15681 1 531 . 1 1 45 45 LYS HG3 H 1 1.520 0.01 . 2 . . . . 45 K HG2 . 15681 1 532 . 1 1 45 45 LYS C C 13 178.380 0.1 . 1 . . . . 45 K C . 15681 1 533 . 1 1 45 45 LYS CA C 13 57.595 0.1 . 1 . . . . 45 K CA . 15681 1 534 . 1 1 45 45 LYS CB C 13 32.256 0.1 . 1 . . . . 45 K CB . 15681 1 535 . 1 1 45 45 LYS CD C 13 28.925 0.1 . 1 . . . . 45 K CD . 15681 1 536 . 1 1 45 45 LYS CG C 13 24.935 0.1 . 1 . . . . 45 K CG . 15681 1 537 . 1 1 45 45 LYS N N 15 119.310 0.1 . 1 . . . . 45 K N . 15681 1 538 . 1 1 46 46 GLN H H 1 8.163 0.01 . 1 . . . . 46 Q HN . 15681 1 539 . 1 1 46 46 GLN HA H 1 4.220 0.01 . 1 . . . . 46 Q HA . 15681 1 540 . 1 1 46 46 GLN HB2 H 1 2.140 0.01 . 2 . . . . 46 Q HB1 . 15681 1 541 . 1 1 46 46 GLN HB3 H 1 2.140 0.01 . 2 . . . . 46 Q HB2 . 15681 1 542 . 1 1 46 46 GLN HG2 H 1 2.470 0.01 . 2 . . . . 46 Q HG1 . 15681 1 543 . 1 1 46 46 GLN HG3 H 1 2.470 0.01 . 2 . . . . 46 Q HG2 . 15681 1 544 . 1 1 46 46 GLN C C 13 177.680 0.1 . 1 . . . . 46 Q C . 15681 1 545 . 1 1 46 46 GLN CA C 13 56.751 0.1 . 1 . . . . 46 Q CA . 15681 1 546 . 1 1 46 46 GLN CB C 13 28.888 0.1 . 1 . . . . 46 Q CB . 15681 1 547 . 1 1 46 46 GLN CG C 13 33.265 0.1 . 1 . . . . 46 Q CG . 15681 1 548 . 1 1 46 46 GLN N N 15 117.950 0.1 . 1 . . . . 46 Q N . 15681 1 549 . 1 1 47 47 LYS H H 1 8.190 0.01 . 1 . . . . 47 K HN . 15681 1 550 . 1 1 47 47 LYS HA H 1 4.240 0.01 . 1 . . . . 47 K HA . 15681 1 551 . 1 1 47 47 LYS HB2 H 1 1.880 0.01 . 2 . . . . 47 K HB1 . 15681 1 552 . 1 1 47 47 LYS HB3 H 1 1.880 0.01 . 2 . . . . 47 K HB2 . 15681 1 553 . 1 1 47 47 LYS HD2 H 1 1.650 0.01 . 2 . . . . 47 K HD1 . 15681 1 554 . 1 1 47 47 LYS HD3 H 1 1.650 0.01 . 2 . . . . 47 K HD2 . 15681 1 555 . 1 1 47 47 LYS HE2 H 1 2.990 0.01 . 2 . . . . 47 K HE1 . 15681 1 556 . 1 1 47 47 LYS HE3 H 1 2.990 0.01 . 2 . . . . 47 K HE2 . 15681 1 557 . 1 1 47 47 LYS HG2 H 1 1.490 0.01 . 2 . . . . 47 K HG1 . 15681 1 558 . 1 1 47 47 LYS HG3 H 1 1.490 0.01 . 2 . . . . 47 K HG2 . 15681 1 559 . 1 1 47 47 LYS C C 13 178.260 0.1 . 1 . . . . 47 K C . 15681 1 560 . 1 1 47 47 LYS CA C 13 57.935 0.1 . 1 . . . . 47 K CA . 15681 1 561 . 1 1 47 47 LYS CB C 13 32.470 0.1 . 1 . . . . 47 K CB . 15681 1 562 . 1 1 47 47 LYS CD C 13 29.255 0.1 . 1 . . . . 47 K CD . 15681 1 563 . 1 1 47 47 LYS CG C 13 24.935 0.1 . 1 . . . . 47 K CG . 15681 1 564 . 1 1 47 47 LYS N N 15 120.200 0.1 . 1 . . . . 47 K N . 15681 1 565 . 1 1 48 48 GLN H H 1 8.270 0.01 . 1 . . . . 48 Q HN . 15681 1 566 . 1 1 48 48 GLN HA H 1 4.270 0.01 . 1 . . . . 48 Q HA . 15681 1 567 . 1 1 48 48 GLN HB2 H 1 2.100 0.01 . 2 . . . . 48 Q HB1 . 15681 1 568 . 1 1 48 48 GLN HB3 H 1 2.100 0.01 . 2 . . . . 48 Q HB2 . 15681 1 569 . 1 1 48 48 GLN HG2 H 1 2.420 0.01 . 2 . . . . 48 Q HG1 . 15681 1 570 . 1 1 48 48 GLN HG3 H 1 2.420 0.01 . 2 . . . . 48 Q HG2 . 15681 1 571 . 1 1 48 48 GLN C C 13 177.380 0.1 . 1 . . . . 48 Q C . 15681 1 572 . 1 1 48 48 GLN CA C 13 56.826 0.1 . 1 . . . . 48 Q CA . 15681 1 573 . 1 1 48 48 GLN CB C 13 28.944 0.1 . 1 . . . . 48 Q CB . 15681 1 574 . 1 1 48 48 GLN CG C 13 34.035 0.1 . 1 . . . . 48 Q CG . 15681 1 575 . 1 1 48 48 GLN N N 15 118.720 0.1 . 1 . . . . 48 Q N . 15681 1 576 . 1 1 49 49 LEU H H 1 8.125 0.01 . 1 . . . . 49 L HN . 15681 1 577 . 1 1 49 49 LEU HA H 1 4.280 0.01 . 1 . . . . 49 L HA . 15681 1 578 . 1 1 49 49 LEU HB2 H 1 1.640 0.01 . 2 . . . . 49 L HB1 . 15681 1 579 . 1 1 49 49 LEU HB3 H 1 1.640 0.01 . 2 . . . . 49 L HB2 . 15681 1 580 . 1 1 49 49 LEU HD11 H 1 0.930 0.01 . 2 . . . . 49 L HD11 . 15681 1 581 . 1 1 49 49 LEU HD12 H 1 0.930 0.01 . 2 . . . . 49 L HD11 . 15681 1 582 . 1 1 49 49 LEU HD13 H 1 0.930 0.01 . 2 . . . . 49 L HD11 . 15681 1 583 . 1 1 49 49 LEU HD21 H 1 0.930 0.01 . 2 . . . . 49 L HD21 . 15681 1 584 . 1 1 49 49 LEU HD22 H 1 0.930 0.01 . 2 . . . . 49 L HD21 . 15681 1 585 . 1 1 49 49 LEU HD23 H 1 0.930 0.01 . 2 . . . . 49 L HD21 . 15681 1 586 . 1 1 49 49 LEU HG H 1 1.640 0.01 . 1 . . . . 49 L HG . 15681 1 587 . 1 1 49 49 LEU C C 13 178.500 0.1 . 1 . . . . 49 L C . 15681 1 588 . 1 1 49 49 LEU CA C 13 56.249 0.1 . 1 . . . . 49 L CA . 15681 1 589 . 1 1 49 49 LEU CB C 13 42.170 0.1 . 1 . . . . 49 L CB . 15681 1 590 . 1 1 49 49 LEU CD1 C 13 25.595 0.1 . 1 . . . . 49 L CD1 . 15681 1 591 . 1 1 49 49 LEU CD2 C 13 25.595 0.1 . 1 . . . . 49 L CD2 . 15681 1 592 . 1 1 49 49 LEU CG C 13 27.285 0.1 . 1 . . . . 49 L CG . 15681 1 593 . 1 1 49 49 LEU N N 15 121.260 0.1 . 1 . . . . 49 L N . 15681 1 594 . 1 1 50 50 LYS H H 1 8.185 0.01 . 1 . . . . 50 K HN . 15681 1 595 . 1 1 50 50 LYS HA H 1 4.260 0.01 . 1 . . . . 50 K HA . 15681 1 596 . 1 1 50 50 LYS HB2 H 1 1.880 0.01 . 2 . . . . 50 K HB1 . 15681 1 597 . 1 1 50 50 LYS HB3 H 1 1.880 0.01 . 2 . . . . 50 K HB2 . 15681 1 598 . 1 1 50 50 LYS HD2 H 1 1.650 0.01 . 2 . . . . 50 K HD1 . 15681 1 599 . 1 1 50 50 LYS HD3 H 1 1.650 0.01 . 2 . . . . 50 K HD2 . 15681 1 600 . 1 1 50 50 LYS HE2 H 1 2.990 0.01 . 2 . . . . 50 K HE1 . 15681 1 601 . 1 1 50 50 LYS HE3 H 1 2.990 0.01 . 2 . . . . 50 K HE2 . 15681 1 602 . 1 1 50 50 LYS HG2 H 1 1.510 0.01 . 2 . . . . 50 K HG1 . 15681 1 603 . 1 1 50 50 LYS HG3 H 1 1.510 0.01 . 2 . . . . 50 K HG2 . 15681 1 604 . 1 1 50 50 LYS C C 13 177.800 0.1 . 1 . . . . 50 K C . 15681 1 605 . 1 1 50 50 LYS CA C 13 56.818 0.1 . 1 . . . . 50 K CA . 15681 1 606 . 1 1 50 50 LYS CB C 13 32.757 0.1 . 1 . . . . 50 K CB . 15681 1 607 . 1 1 50 50 LYS CD C 13 28.595 0.1 . 1 . . . . 50 K CD . 15681 1 608 . 1 1 50 50 LYS CG C 13 24.935 0.1 . 1 . . . . 50 K CG . 15681 1 609 . 1 1 50 50 LYS N N 15 120.200 0.1 . 1 . . . . 50 K N . 15681 1 610 . 1 1 51 51 GLU H H 1 8.350 0.01 . 1 . . . . 51 E HN . 15681 1 611 . 1 1 51 51 GLU HA H 1 4.237 0.01 . 1 . . . . 51 E HA . 15681 1 612 . 1 1 51 51 GLU HB2 H 1 1.873 0.01 . 2 . . . . 51 E HB1 . 15681 1 613 . 1 1 51 51 GLU HB3 H 1 2.088 0.01 . 2 . . . . 51 E HB2 . 15681 1 614 . 1 1 51 51 GLU HG2 H 1 2.290 0.01 . 2 . . . . 51 E HG1 . 15681 1 615 . 1 1 51 51 GLU HG3 H 1 2.290 0.01 . 2 . . . . 51 E HG2 . 15681 1 616 . 1 1 51 51 GLU C C 13 177.090 0.1 . 1 . . . . 51 E C . 15681 1 617 . 1 1 51 51 GLU CA C 13 56.818 0.1 . 1 . . . . 51 E CA . 15681 1 618 . 1 1 51 51 GLU CB C 13 30.225 0.1 . 1 . . . . 51 E CB . 15681 1 619 . 1 1 51 51 GLU CG C 13 36.225 0.1 . 1 . . . . 51 E CG . 15681 1 620 . 1 1 51 51 GLU N N 15 120.090 0.1 . 1 . . . . 51 E N . 15681 1 621 . 1 1 52 52 ALA H H 1 8.187 0.01 . 1 . . . . 52 A HN . 15681 1 622 . 1 1 52 52 ALA HA H 1 4.334 0.01 . 1 . . . . 52 A HA . 15681 1 623 . 1 1 52 52 ALA HB1 H 1 1.463 0.01 . 1 . . . . 52 A HB1 . 15681 1 624 . 1 1 52 52 ALA HB2 H 1 1.463 0.01 . 1 . . . . 52 A HB1 . 15681 1 625 . 1 1 52 52 ALA HB3 H 1 1.463 0.01 . 1 . . . . 52 A HB1 . 15681 1 626 . 1 1 52 52 ALA C C 13 178.260 0.1 . 1 . . . . 52 A C . 15681 1 627 . 1 1 52 52 ALA CA C 13 52.766 0.1 . 1 . . . . 52 A CA . 15681 1 628 . 1 1 52 52 ALA CB C 13 19.177 0.1 . 1 . . . . 52 A CB . 15681 1 629 . 1 1 52 52 ALA N N 15 122.820 0.1 . 1 . . . . 52 A N . 15681 1 630 . 1 1 53 53 GLU H H 1 8.292 0.01 . 1 . . . . 53 E HN . 15681 1 631 . 1 1 53 53 GLU HA H 1 4.334 0.01 . 1 . . . . 53 E HA . 15681 1 632 . 1 1 53 53 GLU HB2 H 1 2.010 0.01 . 2 . . . . 53 E HB1 . 15681 1 633 . 1 1 53 53 GLU HB3 H 1 2.010 0.01 . 2 . . . . 53 E HB2 . 15681 1 634 . 1 1 53 53 GLU HG2 H 1 2.361 0.01 . 2 . . . . 53 E HG1 . 15681 1 635 . 1 1 53 53 GLU HG3 H 1 2.361 0.01 . 2 . . . . 53 E HG2 . 15681 1 636 . 1 1 53 53 GLU C C 13 177.090 0.1 . 1 . . . . 53 E C . 15681 1 637 . 1 1 53 53 GLU CA C 13 56.706 0.1 . 1 . . . . 53 E CA . 15681 1 638 . 1 1 53 53 GLU CB C 13 30.517 0.1 . 1 . . . . 53 E CB . 15681 1 639 . 1 1 53 53 GLU CG C 13 36.225 0.1 . 1 . . . . 53 E CG . 15681 1 640 . 1 1 53 53 GLU N N 15 118.720 0.1 . 1 . . . . 53 E N . 15681 1 641 . 1 1 54 54 GLY H H 1 8.175 0.01 . 1 . . . . 54 G HN . 15681 1 642 . 1 1 54 54 GLY HA2 H 1 4.061 0.01 . 2 . . . . 54 G HA1 . 15681 1 643 . 1 1 54 54 GLY HA3 H 1 4.178 0.01 . 2 . . . . 54 G HA2 . 15681 1 644 . 1 1 54 54 GLY CA C 13 44.555 0.1 . 1 . . . . 54 G CA . 15681 1 645 . 1 1 54 54 GLY N N 15 108.545 0.1 . 1 . . . . 54 G N . 15681 1 646 . 1 1 55 55 PRO HA H 1 4.400 0.01 . 1 . . . . 55 P HA . 15681 1 647 . 1 1 55 55 PRO HB2 H 1 2.000 0.01 . 2 . . . . 55 P HB1 . 15681 1 648 . 1 1 55 55 PRO HB3 H 1 2.230 0.01 . 2 . . . . 55 P HB2 . 15681 1 649 . 1 1 55 55 PRO HD2 H 1 3.651 0.01 . 2 . . . . 55 P HD1 . 15681 1 650 . 1 1 55 55 PRO HD3 H 1 3.651 0.01 . 2 . . . . 55 P HD2 . 15681 1 651 . 1 1 55 55 PRO HG2 H 1 2.000 0.01 . 2 . . . . 55 P HG1 . 15681 1 652 . 1 1 55 55 PRO HG3 H 1 2.000 0.01 . 2 . . . . 55 P HG2 . 15681 1 653 . 1 1 55 55 PRO C C 13 177.330 0.1 . 1 . . . . 55 P C . 15681 1 654 . 1 1 55 55 PRO CA C 13 62.965 0.1 . 1 . . . . 55 P CA . 15681 1 655 . 1 1 55 55 PRO CB C 13 31.905 0.1 . 1 . . . . 55 P CB . 15681 1 656 . 1 1 55 55 PRO CD C 13 49.835 0.1 . 1 . . . . 55 P CD . 15681 1 657 . 1 1 55 55 PRO CG C 13 26.925 0.1 . 1 . . . . 55 P CG . 15681 1 658 . 1 1 56 56 LEU H H 1 8.370 0.01 . 1 . . . . 56 L HN . 15681 1 659 . 1 1 56 56 LEU HA H 1 4.620 0.01 . 1 . . . . 56 L HA . 15681 1 660 . 1 1 56 56 LEU HB2 H 1 1.720 0.01 . 2 . . . . 56 L HB1 . 15681 1 661 . 1 1 56 56 LEU HB3 H 1 1.720 0.01 . 2 . . . . 56 L HB2 . 15681 1 662 . 1 1 56 56 LEU HD11 H 1 0.970 0.01 . 2 . . . . 56 L HD11 . 15681 1 663 . 1 1 56 56 LEU HD12 H 1 0.970 0.01 . 2 . . . . 56 L HD11 . 15681 1 664 . 1 1 56 56 LEU HD13 H 1 0.970 0.01 . 2 . . . . 56 L HD11 . 15681 1 665 . 1 1 56 56 LEU HD21 H 1 0.970 0.01 . 2 . . . . 56 L HD21 . 15681 1 666 . 1 1 56 56 LEU HD22 H 1 0.970 0.01 . 2 . . . . 56 L HD21 . 15681 1 667 . 1 1 56 56 LEU HD23 H 1 0.970 0.01 . 2 . . . . 56 L HD21 . 15681 1 668 . 1 1 56 56 LEU HG H 1 1.610 0.01 . 1 . . . . 56 L HG . 15681 1 669 . 1 1 56 56 LEU CA C 13 52.700 0.1 . 1 . . . . 56 L CA . 15681 1 670 . 1 1 56 56 LEU CB C 13 41.715 0.1 . 1 . . . . 56 L CB . 15681 1 671 . 1 1 56 56 LEU N N 15 122.630 0.1 . 1 . . . . 56 L N . 15681 1 672 . 1 1 57 57 PRO HA H 1 4.471 0.01 . 1 . . . . 57 P HA . 15681 1 673 . 1 1 57 57 PRO HB2 H 1 2.040 0.01 . 2 . . . . 57 P HB1 . 15681 1 674 . 1 1 57 57 PRO HB3 H 1 2.284 0.01 . 2 . . . . 57 P HB2 . 15681 1 675 . 1 1 57 57 PRO HD2 H 1 3.730 0.01 . 2 . . . . 57 P HD1 . 15681 1 676 . 1 1 57 57 PRO HD3 H 1 3.730 0.01 . 2 . . . . 57 P HD2 . 15681 1 677 . 1 1 57 57 PRO HG2 H 1 2.040 0.01 . 2 . . . . 57 P HG1 . 15681 1 678 . 1 1 57 57 PRO HG3 H 1 2.040 0.01 . 2 . . . . 57 P HG2 . 15681 1 679 . 1 1 57 57 PRO C C 13 177.210 0.1 . 1 . . . . 57 P C . 15681 1 680 . 1 1 57 57 PRO CA C 13 62.626 0.1 . 1 . . . . 57 P CA . 15681 1 681 . 1 1 57 57 PRO CB C 13 32.685 0.1 . 1 . . . . 57 P CB . 15681 1 682 . 1 1 57 57 PRO CD C 13 50.505 0.1 . 1 . . . . 57 P CD . 15681 1 683 . 1 1 57 57 PRO CG C 13 27.595 0.1 . 1 . . . . 57 P CG . 15681 1 684 . 1 1 58 58 ILE H H 1 8.236 0.01 . 1 . . . . 58 I HN . 15681 1 685 . 1 1 58 58 ILE HA H 1 4.138 0.01 . 1 . . . . 58 I HA . 15681 1 686 . 1 1 58 58 ILE HB H 1 1.874 0.01 . 1 . . . . 58 I HB . 15681 1 687 . 1 1 58 58 ILE HD11 H 1 0.936 0.01 . 1 . . . . 58 I HD11 . 15681 1 688 . 1 1 58 58 ILE HD12 H 1 0.936 0.01 . 1 . . . . 58 I HD11 . 15681 1 689 . 1 1 58 58 ILE HD13 H 1 0.936 0.01 . 1 . . . . 58 I HD11 . 15681 1 690 . 1 1 58 58 ILE HG12 H 1 1.233 0.01 . 1 . . . . 58 I HG11 . 15681 1 691 . 1 1 58 58 ILE HG13 H 1 1.443 0.01 . 1 . . . . 58 I HG12 . 15681 1 692 . 1 1 58 58 ILE HG21 H 1 0.936 0.01 . 1 . . . . 58 I HG21 . 15681 1 693 . 1 1 58 58 ILE HG22 H 1 0.936 0.01 . 1 . . . . 58 I HG21 . 15681 1 694 . 1 1 58 58 ILE HG23 H 1 0.936 0.01 . 1 . . . . 58 I HG21 . 15681 1 695 . 1 1 58 58 ILE C C 13 176.740 0.1 . 1 . . . . 58 I C . 15681 1 696 . 1 1 58 58 ILE CA C 13 61.274 0.1 . 1 . . . . 58 I CA . 15681 1 697 . 1 1 58 58 ILE CB C 13 38.699 0.1 . 1 . . . . 58 I CB . 15681 1 698 . 1 1 58 58 ILE CG1 C 13 27.255 0.1 . 1 . . . . 58 I CG1 . 15681 1 699 . 1 1 58 58 ILE CG2 C 13 17.635 0.1 . 1 . . . . 58 I CG2 . 15681 1 700 . 1 1 58 58 ILE N N 15 119.777 0.1 . 1 . . . . 58 I N . 15681 1 701 . 1 1 59 59 LYS H H 1 8.399 0.01 . 1 . . . . 59 K HN . 15681 1 702 . 1 1 59 59 LYS HA H 1 4.334 0.01 . 1 . . . . 59 K HA . 15681 1 703 . 1 1 59 59 LYS HB2 H 1 1.776 0.01 . 2 . . . . 59 K HB1 . 15681 1 704 . 1 1 59 59 LYS HB3 H 1 1.853 0.01 . 2 . . . . 59 K HB2 . 15681 1 705 . 1 1 59 59 LYS HD2 H 1 1.730 0.01 . 2 . . . . 59 K HD1 . 15681 1 706 . 1 1 59 59 LYS HD3 H 1 1.730 0.01 . 2 . . . . 59 K HD2 . 15681 1 707 . 1 1 59 59 LYS HE2 H 1 3.040 0.01 . 2 . . . . 59 K HE1 . 15681 1 708 . 1 1 59 59 LYS HE3 H 1 3.040 0.01 . 2 . . . . 59 K HE2 . 15681 1 709 . 1 1 59 59 LYS HG2 H 1 1.464 0.01 . 2 . . . . 59 K HG1 . 15681 1 710 . 1 1 59 59 LYS HG3 H 1 1.464 0.01 . 2 . . . . 59 K HG2 . 15681 1 711 . 1 1 59 59 LYS C C 13 176.270 0.1 . 1 . . . . 59 K C . 15681 1 712 . 1 1 59 59 LYS CA C 13 56.218 0.1 . 1 . . . . 59 K CA . 15681 1 713 . 1 1 59 59 LYS CB C 13 33.012 0.1 . 1 . . . . 59 K CB . 15681 1 714 . 1 1 59 59 LYS CD C 13 29.255 0.1 . 1 . . . . 59 K CD . 15681 1 715 . 1 1 59 59 LYS CG C 13 24.605 0.1 . 1 . . . . 59 K CG . 15681 1 716 . 1 1 59 59 LYS N N 15 124.709 0.1 . 1 . . . . 59 K N . 15681 1 717 . 1 1 60 60 ALA H H 1 8.334 0.01 . 1 . . . . 60 A HN . 15681 1 718 . 1 1 60 60 ALA HA H 1 4.295 0.01 . 1 . . . . 60 A HA . 15681 1 719 . 1 1 60 60 ALA HB1 H 1 1.386 0.01 . 1 . . . . 60 A HB1 . 15681 1 720 . 1 1 60 60 ALA HB2 H 1 1.386 0.01 . 1 . . . . 60 A HB1 . 15681 1 721 . 1 1 60 60 ALA HB3 H 1 1.386 0.01 . 1 . . . . 60 A HB1 . 15681 1 722 . 1 1 60 60 ALA C C 13 177.910 0.1 . 1 . . . . 60 A C . 15681 1 723 . 1 1 60 60 ALA CA C 13 51.505 0.1 . 1 . . . . 60 A CA . 15681 1 724 . 1 1 60 60 ALA CB C 13 19.383 0.1 . 1 . . . . 60 A CB . 15681 1 725 . 1 1 60 60 ALA N N 15 124.710 0.1 . 1 . . . . 60 A N . 15681 1 726 . 1 1 61 61 LYS H H 1 8.380 0.01 . 1 . . . . 61 K HN . 15681 1 727 . 1 1 61 61 LYS HA H 1 4.600 0.01 . 1 . . . . 61 K HA . 15681 1 728 . 1 1 61 61 LYS HB2 H 1 1.760 0.01 . 2 . . . . 61 K HB1 . 15681 1 729 . 1 1 61 61 LYS HB3 H 1 1.760 0.01 . 2 . . . . 61 K HB2 . 15681 1 730 . 1 1 61 61 LYS HG2 H 1 1.500 0.01 . 2 . . . . 61 K HG1 . 15681 1 731 . 1 1 61 61 LYS HG3 H 1 1.500 0.01 . 2 . . . . 61 K HG2 . 15681 1 732 . 1 1 61 61 LYS CA C 13 54.095 0.1 . 1 . . . . 61 K CA . 15681 1 733 . 1 1 61 61 LYS CB C 13 32.625 0.1 . 1 . . . . 61 K CB . 15681 1 734 . 1 1 61 61 LYS N N 15 121.660 0.1 . 1 . . . . 61 K N . 15681 1 735 . 1 1 62 62 PRO HA H 1 4.410 0.01 . 1 . . . . 62 P HA . 15681 1 736 . 1 1 62 62 PRO HB2 H 1 2.040 0.01 . 2 . . . . 62 P HB1 . 15681 1 737 . 1 1 62 62 PRO HB3 H 1 2.250 0.01 . 2 . . . . 62 P HB2 . 15681 1 738 . 1 1 62 62 PRO HD2 H 1 3.620 0.01 . 2 . . . . 62 P HD1 . 15681 1 739 . 1 1 62 62 PRO HD3 H 1 3.620 0.01 . 2 . . . . 62 P HD2 . 15681 1 740 . 1 1 62 62 PRO HG2 H 1 2.040 0.01 . 2 . . . . 62 P HG1 . 15681 1 741 . 1 1 62 62 PRO HG3 H 1 2.040 0.01 . 2 . . . . 62 P HG2 . 15681 1 742 . 1 1 62 62 PRO C C 13 177.330 0.1 . 1 . . . . 62 P C . 15681 1 743 . 1 1 62 62 PRO CA C 13 62.819 0.1 . 1 . . . . 62 P CA . 15681 1 744 . 1 1 62 62 PRO CB C 13 32.777 0.1 . 1 . . . . 62 P CB . 15681 1 745 . 1 1 62 62 PRO CD C 13 50.835 0.1 . 1 . . . . 62 P CD . 15681 1 746 . 1 1 62 62 PRO CG C 13 27.595 0.1 . 1 . . . . 62 P CG . 15681 1 747 . 1 1 63 63 LYS H H 1 8.520 0.01 . 1 . . . . 63 K HN . 15681 1 748 . 1 1 63 63 LYS HA H 1 4.280 0.01 . 1 . . . . 63 K HA . 15681 1 749 . 1 1 63 63 LYS HB2 H 1 1.810 0.01 . 2 . . . . 63 K HB1 . 15681 1 750 . 1 1 63 63 LYS HB3 H 1 1.810 0.01 . 2 . . . . 63 K HB2 . 15681 1 751 . 1 1 63 63 LYS HE2 H 1 3.150 0.01 . 2 . . . . 63 K HE1 . 15681 1 752 . 1 1 63 63 LYS HE3 H 1 3.150 0.01 . 2 . . . . 63 K HE2 . 15681 1 753 . 1 1 63 63 LYS HG2 H 1 1.500 0.01 . 2 . . . . 63 K HG1 . 15681 1 754 . 1 1 63 63 LYS HG3 H 1 1.500 0.01 . 2 . . . . 63 K HG2 . 15681 1 755 . 1 1 63 63 LYS C C 13 176.740 0.1 . 1 . . . . 63 K C . 15681 1 756 . 1 1 63 63 LYS CA C 13 56.195 0.1 . 1 . . . . 63 K CA . 15681 1 757 . 1 1 63 63 LYS CB C 13 32.777 0.1 . 1 . . . . 63 K CB . 15681 1 758 . 1 1 63 63 LYS CD C 13 29.595 0.1 . 1 . . . . 63 K CD . 15681 1 759 . 1 1 63 63 LYS CG C 13 24.935 0.1 . 1 . . . . 63 K CG . 15681 1 760 . 1 1 63 63 LYS N N 15 120.480 0.1 . 1 . . . . 63 K N . 15681 1 761 . 1 1 64 64 GLN H H 1 8.380 0.01 . 1 . . . . 64 Q HN . 15681 1 762 . 1 1 64 64 GLN HA H 1 4.580 0.01 . 1 . . . . 64 Q HA . 15681 1 763 . 1 1 64 64 GLN HB2 H 1 1.960 0.01 . 2 . . . . 64 Q HB1 . 15681 1 764 . 1 1 64 64 GLN HB3 H 1 1.960 0.01 . 2 . . . . 64 Q HB2 . 15681 1 765 . 1 1 64 64 GLN HE21 H 1 7.450 0.01 . 2 . . . . 64 Q HE21 . 15681 1 766 . 1 1 64 64 GLN HE22 H 1 6.870 0.01 . 2 . . . . 64 Q HE22 . 15681 1 767 . 1 1 64 64 GLN HG2 H 1 2.270 0.01 . 2 . . . . 64 Q HG1 . 15681 1 768 . 1 1 64 64 GLN HG3 H 1 2.270 0.01 . 2 . . . . 64 Q HG2 . 15681 1 769 . 1 1 64 64 GLN CA C 13 54.095 0.1 . 1 . . . . 64 Q CA . 15681 1 770 . 1 1 64 64 GLN CB C 13 30.171 0.1 . 1 . . . . 64 Q CB . 15681 1 771 . 1 1 64 64 GLN N N 15 121.270 0.1 . 1 . . . . 64 Q N . 15681 1 772 . 1 1 64 64 GLN NE2 N 15 112.080 0.1 . 1 . . . . 64 Q NE2 . 15681 1 773 . 1 1 65 65 PRO HA H 1 4.370 0.01 . 1 . . . . 65 P HA . 15681 1 774 . 1 1 65 65 PRO HB2 H 1 1.900 0.01 . 2 . . . . 65 P HB1 . 15681 1 775 . 1 1 65 65 PRO HB3 H 1 2.240 0.01 . 2 . . . . 65 P HB2 . 15681 1 776 . 1 1 65 65 PRO HD2 H 1 3.660 0.01 . 2 . . . . 65 P HD1 . 15681 1 777 . 1 1 65 65 PRO HD3 H 1 3.660 0.01 . 2 . . . . 65 P HD2 . 15681 1 778 . 1 1 65 65 PRO HG2 H 1 1.900 0.01 . 2 . . . . 65 P HG1 . 15681 1 779 . 1 1 65 65 PRO HG3 H 1 1.900 0.01 . 2 . . . . 65 P HG2 . 15681 1 780 . 1 1 65 65 PRO C C 13 176.850 0.1 . 1 . . . . 65 P C . 15681 1 781 . 1 1 65 65 PRO CA C 13 63.400 0.1 . 1 . . . . 65 P CA . 15681 1 782 . 1 1 65 65 PRO CB C 13 32.503 0.1 . 1 . . . . 65 P CB . 15681 1 783 . 1 1 65 65 PRO CD C 13 50.835 0.1 . 1 . . . . 65 P CD . 15681 1 784 . 1 1 65 65 PRO CG C 13 26.935 0.1 . 1 . . . . 65 P CG . 15681 1 785 . 1 1 66 66 PHE H H 1 8.240 0.01 . 1 . . . . 66 F HN . 15681 1 786 . 1 1 66 66 PHE HA H 1 4.600 0.01 . 1 . . . . 66 F HA . 15681 1 787 . 1 1 66 66 PHE HB2 H 1 3.120 0.01 . 2 . . . . 66 F HB1 . 15681 1 788 . 1 1 66 66 PHE HB3 H 1 3.120 0.01 . 2 . . . . 66 F HB2 . 15681 1 789 . 1 1 66 66 PHE HD1 H 1 7.280 0.01 . 3 . . . . 66 F HD1 . 15681 1 790 . 1 1 66 66 PHE HD2 H 1 7.280 0.01 . 3 . . . . 66 F HD2 . 15681 1 791 . 1 1 66 66 PHE HE1 H 1 7.390 0.01 . 3 . . . . 66 F HE1 . 15681 1 792 . 1 1 66 66 PHE HE2 H 1 7.390 0.01 . 3 . . . . 66 F HE2 . 15681 1 793 . 1 1 66 66 PHE HZ H 1 7.310 0.01 . 1 . . . . 66 F HZ . 15681 1 794 . 1 1 66 66 PHE C C 13 175.920 0.1 . 1 . . . . 66 F C . 15681 1 795 . 1 1 66 66 PHE CA C 13 57.495 0.1 . 1 . . . . 66 F CA . 15681 1 796 . 1 1 66 66 PHE CB C 13 39.340 0.1 . 1 . . . . 66 F CB . 15681 1 797 . 1 1 66 66 PHE CD1 C 13 131.815 0.1 . 3 . . . . 66 F CD1 . 15681 1 798 . 1 1 66 66 PHE CD2 C 13 131.815 0.1 . 3 . . . . 66 F CD2 . 15681 1 799 . 1 1 66 66 PHE CE1 C 13 131.865 0.1 . 3 . . . . 66 F CE1 . 15681 1 800 . 1 1 66 66 PHE CE2 C 13 131.865 0.1 . 3 . . . . 66 F CE2 . 15681 1 801 . 1 1 66 66 PHE CZ C 13 129.595 0.1 . 1 . . . . 66 F CZ . 15681 1 802 . 1 1 66 66 PHE N N 15 118.720 0.1 . 1 . . . . 66 F N . 15681 1 803 . 1 1 67 67 LEU H H 1 8.080 0.01 . 1 . . . . 67 L HN . 15681 1 804 . 1 1 67 67 LEU HA H 1 4.334 0.01 . 1 . . . . 67 L HA . 15681 1 805 . 1 1 67 67 LEU HB2 H 1 1.600 0.01 . 2 . . . . 67 L HB1 . 15681 1 806 . 1 1 67 67 LEU HB3 H 1 1.600 0.01 . 2 . . . . 67 L HB2 . 15681 1 807 . 1 1 67 67 LEU HD11 H 1 0.880 0.01 . 2 . . . . 67 L HD11 . 15681 1 808 . 1 1 67 67 LEU HD12 H 1 0.880 0.01 . 2 . . . . 67 L HD11 . 15681 1 809 . 1 1 67 67 LEU HD13 H 1 0.880 0.01 . 2 . . . . 67 L HD11 . 15681 1 810 . 1 1 67 67 LEU HD21 H 1 0.880 0.01 . 2 . . . . 67 L HD21 . 15681 1 811 . 1 1 67 67 LEU HD22 H 1 0.880 0.01 . 2 . . . . 67 L HD21 . 15681 1 812 . 1 1 67 67 LEU HD23 H 1 0.880 0.01 . 2 . . . . 67 L HD21 . 15681 1 813 . 1 1 67 67 LEU HG H 1 1.560 0.01 . 1 . . . . 67 L HG . 15681 1 814 . 1 1 67 67 LEU C C 13 176.970 0.1 . 1 . . . . 67 L C . 15681 1 815 . 1 1 67 67 LEU CA C 13 54.774 0.1 . 1 . . . . 67 L CA . 15681 1 816 . 1 1 67 67 LEU CB C 13 42.658 0.1 . 1 . . . . 67 L CB . 15681 1 817 . 1 1 67 67 LEU CD1 C 13 24.600 0.1 . 1 . . . . 67 L CD1 . 15681 1 818 . 1 1 67 67 LEU CD2 C 13 23.590 0.1 . 1 . . . . 67 L CD2 . 15681 1 819 . 1 1 67 67 LEU CG C 13 26.935 0.1 . 1 . . . . 67 L CG . 15681 1 820 . 1 1 67 67 LEU N N 15 123.073 0.1 . 1 . . . . 67 L N . 15681 1 821 . 1 1 68 68 LYS H H 1 8.310 0.01 . 1 . . . . 68 K HN . 15681 1 822 . 1 1 68 68 LYS HA H 1 4.320 0.01 . 1 . . . . 68 K HA . 15681 1 823 . 1 1 68 68 LYS HB2 H 1 1.800 0.01 . 2 . . . . 68 K HB1 . 15681 1 824 . 1 1 68 68 LYS HB3 H 1 1.800 0.01 . 2 . . . . 68 K HB2 . 15681 1 825 . 1 1 68 68 LYS HD2 H 1 1.440 0.01 . 2 . . . . 68 K HD1 . 15681 1 826 . 1 1 68 68 LYS HD3 H 1 1.440 0.01 . 2 . . . . 68 K HD2 . 15681 1 827 . 1 1 68 68 LYS HG2 H 1 1.740 0.01 . 2 . . . . 68 K HG1 . 15681 1 828 . 1 1 68 68 LYS HG3 H 1 1.740 0.01 . 2 . . . . 68 K HG2 . 15681 1 829 . 1 1 68 68 LYS C C 13 176.740 0.1 . 1 . . . . 68 K C . 15681 1 830 . 1 1 68 68 LYS CA C 13 56.614 0.1 . 1 . . . . 68 K CA . 15681 1 831 . 1 1 68 68 LYS CB C 13 32.886 0.1 . 1 . . . . 68 K CB . 15681 1 832 . 1 1 68 68 LYS CD C 13 29.595 0.1 . 1 . . . . 68 K CD . 15681 1 833 . 1 1 68 68 LYS CG C 13 24.935 0.1 . 1 . . . . 68 K CG . 15681 1 834 . 1 1 68 68 LYS N N 15 121.650 0.1 . 1 . . . . 68 K N . 15681 1 835 . 1 1 69 69 ARG H H 1 8.430 0.01 . 1 . . . . 69 R HN . 15681 1 836 . 1 1 69 69 ARG HA H 1 4.300 0.01 . 1 . . . . 69 R HA . 15681 1 837 . 1 1 69 69 ARG HB2 H 1 1.770 0.01 . 2 . . . . 69 R HB1 . 15681 1 838 . 1 1 69 69 ARG HB3 H 1 1.770 0.01 . 2 . . . . 69 R HB2 . 15681 1 839 . 1 1 69 69 ARG HD2 H 1 3.170 0.01 . 2 . . . . 69 R HD1 . 15681 1 840 . 1 1 69 69 ARG HD3 H 1 3.170 0.01 . 2 . . . . 69 R HD2 . 15681 1 841 . 1 1 69 69 ARG HG2 H 1 1.660 0.01 . 2 . . . . 69 R HG1 . 15681 1 842 . 1 1 69 69 ARG HG3 H 1 1.660 0.01 . 2 . . . . 69 R HG2 . 15681 1 843 . 1 1 69 69 ARG C C 13 177.200 0.1 . 1 . . . . 69 R C . 15681 1 844 . 1 1 69 69 ARG CA C 13 56.614 0.1 . 1 . . . . 69 R CA . 15681 1 845 . 1 1 69 69 ARG CB C 13 30.583 0.1 . 1 . . . . 69 R CB . 15681 1 846 . 1 1 69 69 ARG CD C 13 43.195 0.1 . 1 . . . . 69 R CD . 15681 1 847 . 1 1 69 69 ARG CG C 13 26.935 0.1 . 1 . . . . 69 R CG . 15681 1 848 . 1 1 69 69 ARG N N 15 121.650 0.1 . 1 . . . . 69 R N . 15681 1 849 . 1 1 70 70 GLY H H 1 8.548 0.01 . 1 . . . . 70 G HN . 15681 1 850 . 1 1 70 70 GLY HA2 H 1 3.982 0.01 . 2 . . . . 70 G HA1 . 15681 1 851 . 1 1 70 70 GLY HA3 H 1 3.982 0.01 . 2 . . . . 70 G HA2 . 15681 1 852 . 1 1 70 70 GLY C C 13 174.630 0.1 . 1 . . . . 70 G C . 15681 1 853 . 1 1 70 70 GLY CA C 13 45.293 0.1 . 1 . . . . 70 G CA . 15681 1 854 . 1 1 70 70 GLY N N 15 109.327 0.1 . 1 . . . . 70 G N . 15681 1 855 . 1 1 71 71 GLU H H 1 8.346 0.01 . 1 . . . . 71 E HN . 15681 1 856 . 1 1 71 71 GLU HA H 1 4.315 0.01 . 1 . . . . 71 E HA . 15681 1 857 . 1 1 71 71 GLU HB2 H 1 1.991 0.01 . 2 . . . . 71 E HB1 . 15681 1 858 . 1 1 71 71 GLU HB3 H 1 1.991 0.01 . 2 . . . . 71 E HB2 . 15681 1 859 . 1 1 71 71 GLU HG2 H 1 2.283 0.01 . 2 . . . . 71 E HG1 . 15681 1 860 . 1 1 71 71 GLU HG3 H 1 2.283 0.01 . 2 . . . . 71 E HG2 . 15681 1 861 . 1 1 71 71 GLU C C 13 177.560 0.1 . 1 . . . . 71 E C . 15681 1 862 . 1 1 71 71 GLU CA C 13 56.711 0.1 . 1 . . . . 71 E CA . 15681 1 863 . 1 1 71 71 GLU CB C 13 30.398 0.1 . 1 . . . . 71 E CB . 15681 1 864 . 1 1 71 71 GLU CG C 13 36.225 0.1 . 1 . . . . 71 E CG . 15681 1 865 . 1 1 71 71 GLU N N 15 119.500 0.1 . 1 . . . . 71 E N . 15681 1 866 . 1 1 72 72 GLY H H 1 8.567 0.01 . 1 . . . . 72 G HN . 15681 1 867 . 1 1 72 72 GLY HA2 H 1 3.963 0.01 . 2 . . . . 72 G HA1 . 15681 1 868 . 1 1 72 72 GLY HA3 H 1 3.963 0.01 . 2 . . . . 72 G HA2 . 15681 1 869 . 1 1 72 72 GLY C C 13 174.740 0.1 . 1 . . . . 72 G C . 15681 1 870 . 1 1 72 72 GLY CA C 13 45.475 0.1 . 1 . . . . 72 G CA . 15681 1 871 . 1 1 72 72 GLY N N 15 108.594 0.1 . 1 . . . . 72 G N . 15681 1 872 . 1 1 73 73 LEU H H 1 8.117 0.01 . 1 . . . . 73 L HN . 15681 1 873 . 1 1 73 73 LEU HA H 1 4.353 0.01 . 1 . . . . 73 L HA . 15681 1 874 . 1 1 73 73 LEU HB2 H 1 1.639 0.01 . 2 . . . . 73 L HB1 . 15681 1 875 . 1 1 73 73 LEU HB3 H 1 1.639 0.01 . 2 . . . . 73 L HB2 . 15681 1 876 . 1 1 73 73 LEU HD11 H 1 0.920 0.01 . 2 . . . . 73 L HD11 . 15681 1 877 . 1 1 73 73 LEU HD12 H 1 0.920 0.01 . 2 . . . . 73 L HD11 . 15681 1 878 . 1 1 73 73 LEU HD13 H 1 0.920 0.01 . 2 . . . . 73 L HD11 . 15681 1 879 . 1 1 73 73 LEU HD21 H 1 0.920 0.01 . 2 . . . . 73 L HD21 . 15681 1 880 . 1 1 73 73 LEU HD22 H 1 0.920 0.01 . 2 . . . . 73 L HD21 . 15681 1 881 . 1 1 73 73 LEU HD23 H 1 0.920 0.01 . 2 . . . . 73 L HD21 . 15681 1 882 . 1 1 73 73 LEU HG H 1 1.639 0.01 . 1 . . . . 73 L HG . 15681 1 883 . 1 1 73 73 LEU C C 13 177.910 0.1 . 1 . . . . 73 L C . 15681 1 884 . 1 1 73 73 LEU CA C 13 55.247 0.1 . 1 . . . . 73 L CA . 15681 1 885 . 1 1 73 73 LEU CB C 13 42.171 0.1 . 1 . . . . 73 L CB . 15681 1 886 . 1 1 73 73 LEU CD1 C 13 24.940 0.1 . 1 . . . . 73 L CD1 . 15681 1 887 . 1 1 73 73 LEU CD2 C 13 23.270 0.1 . 1 . . . . 73 L CD2 . 15681 1 888 . 1 1 73 73 LEU CG C 13 26.925 0.1 . 1 . . . . 73 L CG . 15681 1 889 . 1 1 73 73 LEU N N 15 120.460 0.1 . 1 . . . . 73 L N . 15681 1 890 . 1 1 74 74 ALA H H 1 8.297 0.01 . 1 . . . . 74 A HN . 15681 1 891 . 1 1 74 74 ALA HA H 1 4.277 0.01 . 1 . . . . 74 A HA . 15681 1 892 . 1 1 74 74 ALA HB1 H 1 1.404 0.01 . 1 . . . . 74 A HB1 . 15681 1 893 . 1 1 74 74 ALA HB2 H 1 1.404 0.01 . 1 . . . . 74 A HB1 . 15681 1 894 . 1 1 74 74 ALA HB3 H 1 1.404 0.01 . 1 . . . . 74 A HB1 . 15681 1 895 . 1 1 74 74 ALA C C 13 178.140 0.1 . 1 . . . . 74 A C . 15681 1 896 . 1 1 74 74 ALA CA C 13 52.838 0.1 . 1 . . . . 74 A CA . 15681 1 897 . 1 1 74 74 ALA CB C 13 18.931 0.1 . 1 . . . . 74 A CB . 15681 1 898 . 1 1 74 74 ALA N N 15 123.220 0.1 . 1 . . . . 74 A N . 15681 1 899 . 1 1 75 75 ARG H H 1 8.128 0.01 . 1 . . . . 75 R HN . 15681 1 900 . 1 1 75 75 ARG HA H 1 4.217 0.01 . 1 . . . . 75 R HA . 15681 1 901 . 1 1 75 75 ARG HB2 H 1 1.800 0.01 . 2 . . . . 75 R HB1 . 15681 1 902 . 1 1 75 75 ARG HB3 H 1 1.800 0.01 . 2 . . . . 75 R HB2 . 15681 1 903 . 1 1 75 75 ARG HD2 H 1 3.140 0.01 . 2 . . . . 75 R HD1 . 15681 1 904 . 1 1 75 75 ARG HD3 H 1 3.140 0.01 . 2 . . . . 75 R HD2 . 15681 1 905 . 1 1 75 75 ARG HG2 H 1 1.670 0.01 . 2 . . . . 75 R HG1 . 15681 1 906 . 1 1 75 75 ARG HG3 H 1 1.670 0.01 . 2 . . . . 75 R HG2 . 15681 1 907 . 1 1 75 75 ARG C C 13 176.740 0.1 . 1 . . . . 75 R C . 15681 1 908 . 1 1 75 75 ARG CA C 13 56.784 0.1 . 1 . . . . 75 R CA . 15681 1 909 . 1 1 75 75 ARG CB C 13 30.356 0.1 . 1 . . . . 75 R CB . 15681 1 910 . 1 1 75 75 ARG CD C 13 43.205 0.1 . 1 . . . . 75 R CD . 15681 1 911 . 1 1 75 75 ARG CG C 13 26.925 0.1 . 1 . . . . 75 R CG . 15681 1 912 . 1 1 75 75 ARG N N 15 118.391 0.1 . 1 . . . . 75 R N . 15681 1 913 . 1 1 76 76 PHE H H 1 8.204 0.01 . 1 . . . . 76 F HN . 15681 1 914 . 1 1 76 76 PHE HA H 1 4.745 0.01 . 1 . . . . 76 F HA . 15681 1 915 . 1 1 76 76 PHE HB2 H 1 3.045 0.01 . 2 . . . . 76 F HB1 . 15681 1 916 . 1 1 76 76 PHE HB3 H 1 3.241 0.01 . 2 . . . . 76 F HB2 . 15681 1 917 . 1 1 76 76 PHE HD1 H 1 7.280 0.01 . 3 . . . . 76 F HD1 . 15681 1 918 . 1 1 76 76 PHE HD2 H 1 7.280 0.01 . 3 . . . . 76 F HD2 . 15681 1 919 . 1 1 76 76 PHE HE1 H 1 7.385 0.01 . 3 . . . . 76 F HE1 . 15681 1 920 . 1 1 76 76 PHE HE2 H 1 7.385 0.01 . 3 . . . . 76 F HE2 . 15681 1 921 . 1 1 76 76 PHE HZ H 1 7.310 0.01 . 1 . . . . 76 F HZ . 15681 1 922 . 1 1 76 76 PHE C C 13 176.510 0.1 . 1 . . . . 76 F C . 15681 1 923 . 1 1 76 76 PHE CA C 13 57.618 0.1 . 1 . . . . 76 F CA . 15681 1 924 . 1 1 76 76 PHE CB C 13 39.480 0.1 . 1 . . . . 76 F CB . 15681 1 925 . 1 1 76 76 PHE CD1 C 13 131.815 0.1 . 3 . . . . 76 F CD1 . 15681 1 926 . 1 1 76 76 PHE CD2 C 13 131.815 0.1 . 3 . . . . 76 F CD2 . 15681 1 927 . 1 1 76 76 PHE CE1 C 13 131.865 0.1 . 3 . . . . 76 F CE1 . 15681 1 928 . 1 1 76 76 PHE CE2 C 13 131.865 0.1 . 3 . . . . 76 F CE2 . 15681 1 929 . 1 1 76 76 PHE CZ C 13 129.595 0.1 . 1 . . . . 76 F CZ . 15681 1 930 . 1 1 76 76 PHE N N 15 119.093 0.1 . 1 . . . . 76 F N . 15681 1 931 . 1 1 77 77 THR H H 1 8.120 0.01 . 1 . . . . 77 T HN . 15681 1 932 . 1 1 77 77 THR HA H 1 4.315 0.01 . 1 . . . . 77 T HA . 15681 1 933 . 1 1 77 77 THR HB H 1 4.217 0.01 . 1 . . . . 77 T HB . 15681 1 934 . 1 1 77 77 THR HG21 H 1 1.210 0.01 . 1 . . . . 77 T HG21 . 15681 1 935 . 1 1 77 77 THR HG22 H 1 1.210 0.01 . 1 . . . . 77 T HG21 . 15681 1 936 . 1 1 77 77 THR HG23 H 1 1.210 0.01 . 1 . . . . 77 T HG21 . 15681 1 937 . 1 1 77 77 THR C C 13 174.630 0.1 . 1 . . . . 77 T C . 15681 1 938 . 1 1 77 77 THR CA C 13 62.152 0.1 . 1 . . . . 77 T CA . 15681 1 939 . 1 1 77 77 THR CB C 13 69.813 0.1 . 1 . . . . 77 T CB . 15681 1 940 . 1 1 77 77 THR CG2 C 13 21.285 0.1 . 1 . . . . 77 T CG2 . 15681 1 941 . 1 1 77 77 THR N N 15 114.283 0.1 . 1 . . . . 77 T N . 15681 1 942 . 1 1 78 78 ASN H H 1 8.450 0.01 . 1 . . . . 78 N HN . 15681 1 943 . 1 1 78 78 ASN HA H 1 4.725 0.01 . 1 . . . . 78 N HA . 15681 1 944 . 1 1 78 78 ASN HB2 H 1 2.800 0.01 . 2 . . . . 78 N HB1 . 15681 1 945 . 1 1 78 78 ASN HB3 H 1 2.800 0.01 . 2 . . . . 78 N HB2 . 15681 1 946 . 1 1 78 78 ASN HD21 H 1 7.650 0.01 . 2 . . . . 78 N HD21 . 15681 1 947 . 1 1 78 78 ASN HD22 H 1 6.950 0.01 . 2 . . . . 78 N HD22 . 15681 1 948 . 1 1 78 78 ASN C C 13 175.570 0.1 . 1 . . . . 78 N C . 15681 1 949 . 1 1 78 78 ASN CA C 13 52.918 0.1 . 1 . . . . 78 N CA . 15681 1 950 . 1 1 78 78 ASN CB C 13 38.440 0.1 . 1 . . . . 78 N CB . 15681 1 951 . 1 1 78 78 ASN CG C 13 177.660 0.1 . 1 . . . . 78 N CG . 15681 1 952 . 1 1 78 78 ASN N N 15 119.875 0.1 . 1 . . . . 78 N N . 15681 1 953 . 1 1 78 78 ASN ND2 N 15 111.800 0.1 . 1 . . . . 78 N ND2 . 15681 1 954 . 1 1 79 79 ALA H H 1 8.297 0.01 . 1 . . . . 79 A HN . 15681 1 955 . 1 1 79 79 ALA HA H 1 4.277 0.01 . 1 . . . . 79 A HA . 15681 1 956 . 1 1 79 79 ALA HB1 H 1 1.404 0.01 . 1 . . . . 79 A HB1 . 15681 1 957 . 1 1 79 79 ALA HB2 H 1 1.404 0.01 . 1 . . . . 79 A HB1 . 15681 1 958 . 1 1 79 79 ALA HB3 H 1 1.404 0.01 . 1 . . . . 79 A HB1 . 15681 1 959 . 1 1 79 79 ALA C C 13 178.500 0.1 . 1 . . . . 79 A C . 15681 1 960 . 1 1 79 79 ALA CA C 13 53.022 0.1 . 1 . . . . 79 A CA . 15681 1 961 . 1 1 79 79 ALA CB C 13 19.156 0.1 . 1 . . . . 79 A CB . 15681 1 962 . 1 1 79 79 ALA N N 15 123.220 0.1 . 1 . . . . 79 A N . 15681 1 963 . 1 1 80 80 LYS H H 1 8.328 0.01 . 1 . . . . 80 K HN . 15681 1 964 . 1 1 80 80 LYS HA H 1 4.315 0.01 . 1 . . . . 80 K HA . 15681 1 965 . 1 1 80 80 LYS HB2 H 1 1.796 0.01 . 2 . . . . 80 K HB1 . 15681 1 966 . 1 1 80 80 LYS HB3 H 1 1.892 0.01 . 2 . . . . 80 K HB2 . 15681 1 967 . 1 1 80 80 LYS HD2 H 1 1.720 0.01 . 2 . . . . 80 K HD1 . 15681 1 968 . 1 1 80 80 LYS HD3 H 1 1.720 0.01 . 2 . . . . 80 K HD2 . 15681 1 969 . 1 1 80 80 LYS HE2 H 1 2.970 0.01 . 2 . . . . 80 K HE1 . 15681 1 970 . 1 1 80 80 LYS HE3 H 1 2.970 0.01 . 2 . . . . 80 K HE2 . 15681 1 971 . 1 1 80 80 LYS HG2 H 1 1.440 0.01 . 2 . . . . 80 K HG1 . 15681 1 972 . 1 1 80 80 LYS HG3 H 1 1.440 0.01 . 2 . . . . 80 K HG2 . 15681 1 973 . 1 1 80 80 LYS C C 13 177.560 0.1 . 1 . . . . 80 K C . 15681 1 974 . 1 1 80 80 LYS CA C 13 56.630 0.1 . 1 . . . . 80 K CA . 15681 1 975 . 1 1 80 80 LYS CB C 13 32.805 0.1 . 1 . . . . 80 K CB . 15681 1 976 . 1 1 80 80 LYS CD C 13 28.295 0.1 . 1 . . . . 80 K CD . 15681 1 977 . 1 1 80 80 LYS CG C 13 24.935 0.1 . 1 . . . . 80 K CG . 15681 1 978 . 1 1 80 80 LYS N N 15 118.330 0.1 . 1 . . . . 80 K N . 15681 1 979 . 1 1 81 81 SER H H 1 8.229 0.01 . 1 . . . . 81 S HN . 15681 1 980 . 1 1 81 81 SER HA H 1 4.412 0.01 . 1 . . . . 81 S HA . 15681 1 981 . 1 1 81 81 SER HB2 H 1 3.904 0.01 . 2 . . . . 81 S HB1 . 15681 1 982 . 1 1 81 81 SER HB3 H 1 3.904 0.01 . 2 . . . . 81 S HB2 . 15681 1 983 . 1 1 81 81 SER C C 13 175.220 0.1 . 1 . . . . 81 S C . 15681 1 984 . 1 1 81 81 SER CA C 13 58.555 0.1 . 1 . . . . 81 S CA . 15681 1 985 . 1 1 81 81 SER CB C 13 63.903 0.1 . 1 . . . . 81 S CB . 15681 1 986 . 1 1 81 81 SER N N 15 115.236 0.1 . 1 . . . . 81 S N . 15681 1 987 . 1 1 82 82 LYS H H 1 8.310 0.01 . 1 . . . . 82 K HN . 15681 1 988 . 1 1 82 82 LYS HA H 1 4.320 0.01 . 1 . . . . 82 K HA . 15681 1 989 . 1 1 82 82 LYS HB2 H 1 1.740 0.01 . 2 . . . . 82 K HB1 . 15681 1 990 . 1 1 82 82 LYS HB3 H 1 1.814 0.01 . 2 . . . . 82 K HB2 . 15681 1 991 . 1 1 82 82 LYS HG2 H 1 1.440 0.01 . 2 . . . . 82 K HG1 . 15681 1 992 . 1 1 82 82 LYS HG3 H 1 1.440 0.01 . 2 . . . . 82 K HG2 . 15681 1 993 . 1 1 82 82 LYS C C 13 176.860 0.1 . 1 . . . . 82 K C . 15681 1 994 . 1 1 82 82 LYS CA C 13 57.464 0.1 . 1 . . . . 82 K CA . 15681 1 995 . 1 1 82 82 LYS CB C 13 32.729 0.1 . 1 . . . . 82 K CB . 15681 1 996 . 1 1 82 82 LYS CD C 13 24.275 0.1 . 1 . . . . 82 K CD . 15681 1 997 . 1 1 82 82 LYS CG C 13 28.585 0.1 . 1 . . . . 82 K CG . 15681 1 998 . 1 1 82 82 LYS N N 15 121.650 0.1 . 1 . . . . 82 K N . 15681 1 999 . 1 1 83 83 PHE H H 1 8.170 0.01 . 1 . . . . 83 F HN . 15681 1 1000 . 1 1 83 83 PHE HA H 1 4.630 0.01 . 1 . . . . 83 F HA . 15681 1 1001 . 1 1 83 83 PHE HB2 H 1 3.010 0.01 . 2 . . . . 83 F HB1 . 15681 1 1002 . 1 1 83 83 PHE HB3 H 1 3.170 0.01 . 2 . . . . 83 F HB2 . 15681 1 1003 . 1 1 83 83 PHE HD1 H 1 7.280 0.01 . 3 . . . . 83 F HD1 . 15681 1 1004 . 1 1 83 83 PHE HD2 H 1 7.280 0.01 . 3 . . . . 83 F HD2 . 15681 1 1005 . 1 1 83 83 PHE HE1 H 1 7.385 0.01 . 3 . . . . 83 F HE1 . 15681 1 1006 . 1 1 83 83 PHE HE2 H 1 7.385 0.01 . 3 . . . . 83 F HE2 . 15681 1 1007 . 1 1 83 83 PHE HZ H 1 7.310 0.01 . 1 . . . . 83 F HZ . 15681 1 1008 . 1 1 83 83 PHE C C 13 176.150 0.1 . 1 . . . . 83 F C . 15681 1 1009 . 1 1 83 83 PHE CA C 13 57.727 0.1 . 1 . . . . 83 F CA . 15681 1 1010 . 1 1 83 83 PHE CB C 13 39.428 0.1 . 1 . . . . 83 F CB . 15681 1 1011 . 1 1 83 83 PHE CD1 C 13 131.815 0.1 . 3 . . . . 83 F CD1 . 15681 1 1012 . 1 1 83 83 PHE CD2 C 13 131.815 0.1 . 3 . . . . 83 F CD2 . 15681 1 1013 . 1 1 83 83 PHE CE1 C 13 131.865 0.1 . 3 . . . . 83 F CE1 . 15681 1 1014 . 1 1 83 83 PHE CE2 C 13 131.865 0.1 . 3 . . . . 83 F CE2 . 15681 1 1015 . 1 1 83 83 PHE CZ C 13 129.595 0.1 . 1 . . . . 83 F CZ . 15681 1 1016 . 1 1 83 83 PHE N N 15 118.703 0.1 . 1 . . . . 83 F N . 15681 1 1017 . 1 1 84 84 GLN H H 1 8.220 0.01 . 1 . . . . 84 Q HN . 15681 1 1018 . 1 1 84 84 GLN HA H 1 4.260 0.01 . 1 . . . . 84 Q HA . 15681 1 1019 . 1 1 84 84 GLN HB2 H 1 2.000 0.01 . 2 . . . . 84 Q HB1 . 15681 1 1020 . 1 1 84 84 GLN HB3 H 1 2.100 0.01 . 2 . . . . 84 Q HB2 . 15681 1 1021 . 1 1 84 84 GLN HG2 H 1 2.360 0.01 . 2 . . . . 84 Q HG1 . 15681 1 1022 . 1 1 84 84 GLN HG3 H 1 2.360 0.01 . 2 . . . . 84 Q HG2 . 15681 1 1023 . 1 1 84 84 GLN C C 13 176.970 0.1 . 1 . . . . 84 Q C . 15681 1 1024 . 1 1 84 84 GLN CA C 13 58.486 0.1 . 1 . . . . 84 Q CA . 15681 1 1025 . 1 1 84 84 GLN CB C 13 29.614 0.1 . 1 . . . . 84 Q CB . 15681 1 1026 . 1 1 84 84 GLN CG C 13 33.595 0.1 . 1 . . . . 84 Q CG . 15681 1 1027 . 1 1 84 84 GLN N N 15 120.948 0.1 . 1 . . . . 84 Q N . 15681 1 1028 . 1 1 85 85 LYS H H 1 8.380 0.01 . 1 . . . . 85 K HN . 15681 1 1029 . 1 1 85 85 LYS HA H 1 4.340 0.01 . 1 . . . . 85 K HA . 15681 1 1030 . 1 1 85 85 LYS HB2 H 1 1.760 0.01 . 2 . . . . 85 K HB1 . 15681 1 1031 . 1 1 85 85 LYS HB3 H 1 1.760 0.01 . 2 . . . . 85 K HB2 . 15681 1 1032 . 1 1 85 85 LYS HG2 H 1 1.490 0.01 . 2 . . . . 85 K HG1 . 15681 1 1033 . 1 1 85 85 LYS HG3 H 1 1.490 0.01 . 2 . . . . 85 K HG2 . 15681 1 1034 . 1 1 85 85 LYS C C 13 177.200 0.1 . 1 . . . . 85 K C . 15681 1 1035 . 1 1 85 85 LYS CA C 13 56.614 0.1 . 1 . . . . 85 K CA . 15681 1 1036 . 1 1 85 85 LYS CB C 13 32.949 0.1 . 1 . . . . 85 K CB . 15681 1 1037 . 1 1 85 85 LYS CD C 13 28.925 0.1 . 1 . . . . 85 K CD . 15681 1 1038 . 1 1 85 85 LYS CG C 13 24.605 0.1 . 1 . . . . 85 K CG . 15681 1 1039 . 1 1 85 85 LYS N N 15 122.040 0.1 . 1 . . . . 85 K N . 15681 1 1040 . 1 1 86 86 GLY H H 1 8.548 0.01 . 1 . . . . 86 G HN . 15681 1 1041 . 1 1 86 86 GLY HA2 H 1 3.982 0.01 . 2 . . . . 86 G HA1 . 15681 1 1042 . 1 1 86 86 GLY HA3 H 1 3.982 0.01 . 2 . . . . 86 G HA2 . 15681 1 1043 . 1 1 86 86 GLY C C 13 174.630 0.1 . 1 . . . . 86 G C . 15681 1 1044 . 1 1 86 86 GLY CA C 13 45.293 0.1 . 1 . . . . 86 G CA . 15681 1 1045 . 1 1 86 86 GLY N N 15 109.327 0.1 . 1 . . . . 86 G N . 15681 1 1046 . 1 1 87 87 LYS H H 1 8.240 0.01 . 1 . . . . 87 K HN . 15681 1 1047 . 1 1 87 87 LYS HA H 1 4.310 0.01 . 1 . . . . 87 K HA . 15681 1 1048 . 1 1 87 87 LYS HB2 H 1 1.770 0.01 . 2 . . . . 87 K HB1 . 15681 1 1049 . 1 1 87 87 LYS HB3 H 1 1.850 0.01 . 2 . . . . 87 K HB2 . 15681 1 1050 . 1 1 87 87 LYS HE2 H 1 2.960 0.01 . 2 . . . . 87 K HE1 . 15681 1 1051 . 1 1 87 87 LYS HE3 H 1 2.960 0.01 . 2 . . . . 87 K HE2 . 15681 1 1052 . 1 1 87 87 LYS HG2 H 1 1.430 0.01 . 2 . . . . 87 K HG1 . 15681 1 1053 . 1 1 87 87 LYS HG3 H 1 1.430 0.01 . 2 . . . . 87 K HG2 . 15681 1 1054 . 1 1 87 87 LYS C C 13 177.210 0.1 . 1 . . . . 87 K C . 15681 1 1055 . 1 1 87 87 LYS CA C 13 56.514 0.1 . 1 . . . . 87 K CA . 15681 1 1056 . 1 1 87 87 LYS CB C 13 32.854 0.1 . 1 . . . . 87 K CB . 15681 1 1057 . 1 1 87 87 LYS CD C 13 28.925 0.1 . 1 . . . . 87 K CD . 15681 1 1058 . 1 1 87 87 LYS CG C 13 24.605 0.1 . 1 . . . . 87 K CG . 15681 1 1059 . 1 1 87 87 LYS N N 15 119.510 0.1 . 1 . . . . 87 K N . 15681 1 1060 . 1 1 88 88 GLU H H 1 8.610 0.01 . 1 . . . . 88 E HN . 15681 1 1061 . 1 1 88 88 GLU HA H 1 4.295 0.01 . 1 . . . . 88 E HA . 15681 1 1062 . 1 1 88 88 GLU HB2 H 1 1.980 0.01 . 2 . . . . 88 E HB1 . 15681 1 1063 . 1 1 88 88 GLU HB3 H 1 1.980 0.01 . 2 . . . . 88 E HB2 . 15681 1 1064 . 1 1 88 88 GLU HG2 H 1 2.300 0.01 . 2 . . . . 88 E HG1 . 15681 1 1065 . 1 1 88 88 GLU HG3 H 1 2.300 0.01 . 2 . . . . 88 E HG2 . 15681 1 1066 . 1 1 88 88 GLU C C 13 177.090 0.1 . 1 . . . . 88 E C . 15681 1 1067 . 1 1 88 88 GLU CA C 13 56.780 0.1 . 1 . . . . 88 E CA . 15681 1 1068 . 1 1 88 88 GLU CB C 13 30.045 0.1 . 1 . . . . 88 E CB . 15681 1 1069 . 1 1 88 88 GLU CG C 13 36.225 0.1 . 1 . . . . 88 E CG . 15681 1 1070 . 1 1 88 88 GLU N N 15 120.680 0.1 . 1 . . . . 88 E N . 15681 1 1071 . 1 1 89 89 SER H H 1 8.366 0.01 . 1 . . . . 89 S HN . 15681 1 1072 . 1 1 89 89 SER HA H 1 4.451 0.01 . 1 . . . . 89 S HA . 15681 1 1073 . 1 1 89 89 SER HB2 H 1 3.885 0.01 . 2 . . . . 89 S HB1 . 15681 1 1074 . 1 1 89 89 SER HB3 H 1 3.885 0.01 . 2 . . . . 89 S HB2 . 15681 1 1075 . 1 1 89 89 SER C C 13 176.390 0.1 . 1 . . . . 89 S C . 15681 1 1076 . 1 1 89 89 SER CA C 13 58.656 0.1 . 1 . . . . 89 S CA . 15681 1 1077 . 1 1 89 89 SER CB C 13 63.815 0.1 . 1 . . . . 89 S CB . 15681 1 1078 . 1 1 89 89 SER N N 15 116.016 0.1 . 1 . . . . 89 S N . 15681 1 1079 . 1 1 90 90 LYS H H 1 8.380 0.01 . 1 . . . . 90 K HN . 15681 1 1080 . 1 1 90 90 LYS HA H 1 4.340 0.01 . 1 . . . . 90 K HA . 15681 1 1081 . 1 1 90 90 LYS HB2 H 1 1.760 0.01 . 2 . . . . 90 K HB1 . 15681 1 1082 . 1 1 90 90 LYS HB3 H 1 1.760 0.01 . 2 . . . . 90 K HB2 . 15681 1 1083 . 1 1 90 90 LYS HG2 H 1 1.490 0.01 . 2 . . . . 90 K HG1 . 15681 1 1084 . 1 1 90 90 LYS HG3 H 1 1.490 0.01 . 2 . . . . 90 K HG2 . 15681 1 1085 . 1 1 90 90 LYS C C 13 176.740 0.1 . 1 . . . . 90 K C . 15681 1 1086 . 1 1 90 90 LYS CA C 13 56.328 0.1 . 1 . . . . 90 K CA . 15681 1 1087 . 1 1 90 90 LYS CB C 13 32.888 0.1 . 1 . . . . 90 K CB . 15681 1 1088 . 1 1 90 90 LYS CD C 13 28.925 0.1 . 1 . . . . 90 K CD . 15681 1 1089 . 1 1 90 90 LYS CG C 13 24.605 0.1 . 1 . . . . 90 K CG . 15681 1 1090 . 1 1 90 90 LYS N N 15 122.240 0.1 . 1 . . . . 90 K N . 15681 1 1091 . 1 1 91 91 LEU H H 1 8.240 0.01 . 1 . . . . 91 L HN . 15681 1 1092 . 1 1 91 91 LEU HA H 1 4.393 0.01 . 1 . . . . 91 L HA . 15681 1 1093 . 1 1 91 91 LEU HB2 H 1 1.650 0.01 . 2 . . . . 91 L HB1 . 15681 1 1094 . 1 1 91 91 LEU HB3 H 1 1.650 0.01 . 2 . . . . 91 L HB2 . 15681 1 1095 . 1 1 91 91 LEU HD11 H 1 0.920 0.01 . 2 . . . . 91 L HD11 . 15681 1 1096 . 1 1 91 91 LEU HD12 H 1 0.920 0.01 . 2 . . . . 91 L HD11 . 15681 1 1097 . 1 1 91 91 LEU HD13 H 1 0.920 0.01 . 2 . . . . 91 L HD11 . 15681 1 1098 . 1 1 91 91 LEU HD21 H 1 0.920 0.01 . 2 . . . . 91 L HD21 . 15681 1 1099 . 1 1 91 91 LEU HD22 H 1 0.920 0.01 . 2 . . . . 91 L HD21 . 15681 1 1100 . 1 1 91 91 LEU HD23 H 1 0.920 0.01 . 2 . . . . 91 L HD21 . 15681 1 1101 . 1 1 91 91 LEU HG H 1 1.650 0.01 . 1 . . . . 91 L HG . 15681 1 1102 . 1 1 91 91 LEU C C 13 177.680 0.1 . 1 . . . . 91 L C . 15681 1 1103 . 1 1 91 91 LEU CA C 13 55.388 0.1 . 1 . . . . 91 L CA . 15681 1 1104 . 1 1 91 91 LEU CB C 13 42.346 0.1 . 1 . . . . 91 L CB . 15681 1 1105 . 1 1 91 91 LEU CD1 C 13 25.275 0.1 . 1 . . . . 91 L CD1 . 15681 1 1106 . 1 1 91 91 LEU CD2 C 13 25.275 0.1 . 1 . . . . 91 L CD2 . 15681 1 1107 . 1 1 91 91 LEU CG C 13 26.605 0.1 . 1 . . . . 91 L CG . 15681 1 1108 . 1 1 91 91 LEU N N 15 121.650 0.1 . 1 . . . . 91 L N . 15681 1 1109 . 1 1 92 92 VAL H H 1 8.227 0.01 . 1 . . . . 92 V HN . 15681 1 1110 . 1 1 92 92 VAL HA H 1 4.217 0.01 . 1 . . . . 92 V HA . 15681 1 1111 . 1 1 92 92 VAL HB H 1 2.108 0.01 . 1 . . . . 92 V HB . 15681 1 1112 . 1 1 92 92 VAL HG11 H 1 0.964 0.01 . 2 . . . . 92 V HG11 . 15681 1 1113 . 1 1 92 92 VAL HG12 H 1 0.964 0.01 . 2 . . . . 92 V HG11 . 15681 1 1114 . 1 1 92 92 VAL HG13 H 1 0.964 0.01 . 2 . . . . 92 V HG11 . 15681 1 1115 . 1 1 92 92 VAL HG21 H 1 0.964 0.01 . 2 . . . . 92 V HG21 . 15681 1 1116 . 1 1 92 92 VAL HG22 H 1 0.964 0.01 . 2 . . . . 92 V HG21 . 15681 1 1117 . 1 1 92 92 VAL HG23 H 1 0.964 0.01 . 2 . . . . 92 V HG21 . 15681 1 1118 . 1 1 92 92 VAL C C 13 176.740 0.1 . 1 . . . . 92 V C . 15681 1 1119 . 1 1 92 92 VAL CA C 13 62.560 0.1 . 1 . . . . 92 V CA . 15681 1 1120 . 1 1 92 92 VAL CB C 13 32.607 0.1 . 1 . . . . 92 V CB . 15681 1 1121 . 1 1 92 92 VAL CG1 C 13 20.890 0.1 . 1 . . . . 92 V CG1 . 15681 1 1122 . 1 1 92 92 VAL CG2 C 13 21.280 0.1 . 1 . . . . 92 V CG2 . 15681 1 1123 . 1 1 92 92 VAL N N 15 120.729 0.1 . 1 . . . . 92 V N . 15681 1 1124 . 1 1 93 93 THR H H 1 8.280 0.01 . 1 . . . . 93 T HN . 15681 1 1125 . 1 1 93 93 THR HA H 1 4.412 0.01 . 1 . . . . 93 T HA . 15681 1 1126 . 1 1 93 93 THR HB H 1 4.256 0.01 . 1 . . . . 93 T HB . 15681 1 1127 . 1 1 93 93 THR HG21 H 1 1.210 0.01 . 1 . . . . 93 T HG21 . 15681 1 1128 . 1 1 93 93 THR HG22 H 1 1.210 0.01 . 1 . . . . 93 T HG21 . 15681 1 1129 . 1 1 93 93 THR HG23 H 1 1.210 0.01 . 1 . . . . 93 T HG21 . 15681 1 1130 . 1 1 93 93 THR C C 13 174.630 0.1 . 1 . . . . 93 T C . 15681 1 1131 . 1 1 93 93 THR CA C 13 61.757 0.1 . 1 . . . . 93 T CA . 15681 1 1132 . 1 1 93 93 THR CB C 13 69.867 0.1 . 1 . . . . 93 T CB . 15681 1 1133 . 1 1 93 93 THR CG2 C 13 21.615 0.1 . 1 . . . . 93 T CG2 . 15681 1 1134 . 1 1 93 93 THR N N 15 116.481 0.1 . 1 . . . . 93 T N . 15681 1 1135 . 1 1 94 94 ASN H H 1 8.507 0.01 . 1 . . . . 94 N HN . 15681 1 1136 . 1 1 94 94 ASN HA H 1 4.765 0.01 . 1 . . . . 94 N HA . 15681 1 1137 . 1 1 94 94 ASN HB2 H 1 2.849 0.01 . 2 . . . . 94 N HB1 . 15681 1 1138 . 1 1 94 94 ASN HB3 H 1 2.849 0.01 . 2 . . . . 94 N HB2 . 15681 1 1139 . 1 1 94 94 ASN HD21 H 1 7.650 0.01 . 2 . . . . 94 N HD21 . 15681 1 1140 . 1 1 94 94 ASN HD22 H 1 6.950 0.01 . 2 . . . . 94 N HD22 . 15681 1 1141 . 1 1 94 94 ASN C C 13 175.450 0.1 . 1 . . . . 94 N C . 15681 1 1142 . 1 1 94 94 ASN CA C 13 53.339 0.1 . 1 . . . . 94 N CA . 15681 1 1143 . 1 1 94 94 ASN CB C 13 38.831 0.1 . 1 . . . . 94 N CB . 15681 1 1144 . 1 1 94 94 ASN CG C 13 177.660 0.1 . 1 . . . . 94 N CG . 15681 1 1145 . 1 1 94 94 ASN N N 15 119.890 0.1 . 1 . . . . 94 N N . 15681 1 1146 . 1 1 95 95 GLN H H 1 8.456 0.01 . 1 . . . . 95 Q HN . 15681 1 1147 . 1 1 95 95 GLN HA H 1 4.393 0.01 . 1 . . . . 95 Q HA . 15681 1 1148 . 1 1 95 95 GLN HB2 H 1 2.027 0.01 . 2 . . . . 95 Q HB1 . 15681 1 1149 . 1 1 95 95 GLN HB3 H 1 2.027 0.01 . 2 . . . . 95 Q HB2 . 15681 1 1150 . 1 1 95 95 GLN HG2 H 1 2.390 0.01 . 2 . . . . 95 Q HG1 . 15681 1 1151 . 1 1 95 95 GLN HG3 H 1 2.390 0.01 . 2 . . . . 95 Q HG2 . 15681 1 1152 . 1 1 95 95 GLN C C 13 176.500 0.1 . 1 . . . . 95 Q C . 15681 1 1153 . 1 1 95 95 GLN CA C 13 56.282 0.1 . 1 . . . . 95 Q CA . 15681 1 1154 . 1 1 95 95 GLN CB C 13 29.586 0.1 . 1 . . . . 95 Q CB . 15681 1 1155 . 1 1 95 95 GLN CG C 13 33.565 0.1 . 1 . . . . 95 Q CG . 15681 1 1156 . 1 1 95 95 GLN N N 15 119.606 0.1 . 1 . . . . 95 Q N . 15681 1 1157 . 1 1 96 96 SER H H 1 8.492 0.01 . 1 . . . . 96 S HN . 15681 1 1158 . 1 1 96 96 SER HA H 1 4.568 0.01 . 1 . . . . 96 S HA . 15681 1 1159 . 1 1 96 96 SER HB2 H 1 3.924 0.01 . 2 . . . . 96 S HB1 . 15681 1 1160 . 1 1 96 96 SER HB3 H 1 3.924 0.01 . 2 . . . . 96 S HB2 . 15681 1 1161 . 1 1 96 96 SER C C 13 175.330 0.1 . 1 . . . . 96 S C . 15681 1 1162 . 1 1 96 96 SER CA C 13 58.514 0.1 . 1 . . . . 96 S CA . 15681 1 1163 . 1 1 96 96 SER CB C 13 63.960 0.1 . 1 . . . . 96 S CB . 15681 1 1164 . 1 1 96 96 SER N N 15 116.090 0.1 . 1 . . . . 96 S N . 15681 1 1165 . 1 1 97 97 THR H H 1 8.319 0.01 . 1 . . . . 97 T HN . 15681 1 1166 . 1 1 97 97 THR HA H 1 4.451 0.01 . 1 . . . . 97 T HA . 15681 1 1167 . 1 1 97 97 THR HB H 1 4.333 0.01 . 1 . . . . 97 T HB . 15681 1 1168 . 1 1 97 97 THR HG21 H 1 1.248 0.01 . 1 . . . . 97 T HG21 . 15681 1 1169 . 1 1 97 97 THR HG22 H 1 1.248 0.01 . 1 . . . . 97 T HG21 . 15681 1 1170 . 1 1 97 97 THR HG23 H 1 1.248 0.01 . 1 . . . . 97 T HG21 . 15681 1 1171 . 1 1 97 97 THR C C 13 175.220 0.1 . 1 . . . . 97 T C . 15681 1 1172 . 1 1 97 97 THR CA C 13 61.730 0.1 . 1 . . . . 97 T CA . 15681 1 1173 . 1 1 97 97 THR CB C 13 69.919 0.1 . 1 . . . . 97 T CB . 15681 1 1174 . 1 1 97 97 THR CG2 C 13 21.100 0.1 . 1 . . . . 97 T CG2 . 15681 1 1175 . 1 1 97 97 THR N N 15 114.320 0.1 . 1 . . . . 97 T N . 15681 1 1176 . 1 1 98 98 SER H H 1 8.383 0.01 . 1 . . . . 98 S HN . 15681 1 1177 . 1 1 98 98 SER HA H 1 4.491 0.01 . 1 . . . . 98 S HA . 15681 1 1178 . 1 1 98 98 SER HB2 H 1 3.905 0.01 . 2 . . . . 98 S HB1 . 15681 1 1179 . 1 1 98 98 SER HB3 H 1 3.905 0.01 . 2 . . . . 98 S HB2 . 15681 1 1180 . 1 1 98 98 SER C C 13 176.540 0.1 . 1 . . . . 98 S C . 15681 1 1181 . 1 1 98 98 SER CA C 13 58.768 0.1 . 1 . . . . 98 S CA . 15681 1 1182 . 1 1 98 98 SER CB C 13 63.876 0.1 . 1 . . . . 98 S CB . 15681 1 1183 . 1 1 98 98 SER N N 15 116.578 0.1 . 1 . . . . 98 S N . 15681 1 1184 . 1 1 99 99 GLU H H 1 8.380 0.01 . 1 . . . . 99 E HN . 15681 1 1185 . 1 1 99 99 GLU HA H 1 4.295 0.01 . 1 . . . . 99 E HA . 15681 1 1186 . 1 1 99 99 GLU HB2 H 1 1.990 0.01 . 2 . . . . 99 E HB1 . 15681 1 1187 . 1 1 99 99 GLU HB3 H 1 2.089 0.01 . 2 . . . . 99 E HB2 . 15681 1 1188 . 1 1 99 99 GLU HG2 H 1 2.303 0.01 . 2 . . . . 99 E HG1 . 15681 1 1189 . 1 1 99 99 GLU HG3 H 1 2.303 0.01 . 2 . . . . 99 E HG2 . 15681 1 1190 . 1 1 99 99 GLU C C 13 176.850 0.1 . 1 . . . . 99 E C . 15681 1 1191 . 1 1 99 99 GLU CA C 13 56.594 0.1 . 1 . . . . 99 E CA . 15681 1 1192 . 1 1 99 99 GLU CB C 13 30.222 0.1 . 1 . . . . 99 E CB . 15681 1 1193 . 1 1 99 99 GLU CG C 13 35.895 0.1 . 1 . . . . 99 E CG . 15681 1 1194 . 1 1 99 99 GLU N N 15 120.656 0.1 . 1 . . . . 99 E N . 15681 1 1195 . 1 1 100 100 ASP H H 1 8.335 0.01 . 1 . . . . 100 D HN . 15681 1 1196 . 1 1 100 100 ASP HA H 1 4.608 0.01 . 1 . . . . 100 D HA . 15681 1 1197 . 1 1 100 100 ASP HB2 H 1 2.615 0.01 . 2 . . . . 100 D HB1 . 15681 1 1198 . 1 1 100 100 ASP HB3 H 1 2.615 0.01 . 2 . . . . 100 D HB2 . 15681 1 1199 . 1 1 100 100 ASP C C 13 176.150 0.1 . 1 . . . . 100 D C . 15681 1 1200 . 1 1 100 100 ASP CA C 13 53.683 0.1 . 1 . . . . 100 D CA . 15681 1 1201 . 1 1 100 100 ASP CB C 13 41.175 0.1 . 1 . . . . 100 D CB . 15681 1 1202 . 1 1 100 100 ASP N N 15 119.631 0.1 . 1 . . . . 100 D N . 15681 1 1203 . 1 1 101 101 GLN H H 1 8.192 0.01 . 1 . . . . 101 Q HN . 15681 1 1204 . 1 1 101 101 GLN HA H 1 4.333 0.01 . 1 . . . . 101 Q HA . 15681 1 1205 . 1 1 101 101 GLN HB2 H 1 1.933 0.01 . 2 . . . . 101 Q HB1 . 15681 1 1206 . 1 1 101 101 GLN HB3 H 1 2.107 0.01 . 2 . . . . 101 Q HB2 . 15681 1 1207 . 1 1 101 101 GLN HG2 H 1 2.381 0.01 . 2 . . . . 101 Q HG1 . 15681 1 1208 . 1 1 101 101 GLN HG3 H 1 2.381 0.01 . 2 . . . . 101 Q HG2 . 15681 1 1209 . 1 1 101 101 GLN CA C 13 57.591 0.1 . 1 . . . . 101 Q CA . 15681 1 1210 . 1 1 101 101 GLN CB C 13 28.993 0.1 . 1 . . . . 101 Q CB . 15681 1 1211 . 1 1 101 101 GLN N N 15 119.792 0.1 . 1 . . . . 101 Q N . 15681 1 1212 . 1 1 102 102 PRO HA H 1 4.470 0.01 . 1 . . . . 102 P HA . 15681 1 1213 . 1 1 102 102 PRO HB2 H 1 2.240 0.01 . 2 . . . . 102 P HB2 . 15681 1 1214 . 1 1 102 102 PRO HD2 H 1 3.720 0.01 . 2 . . . . 102 P HD1 . 15681 1 1215 . 1 1 102 102 PRO HD3 H 1 3.720 0.01 . 2 . . . . 102 P HD2 . 15681 1 1216 . 1 1 102 102 PRO C C 13 177.800 0.1 . 1 . . . . 102 P C . 15681 1 1217 . 1 1 102 102 PRO CA C 13 63.495 0.1 . 1 . . . . 102 P CA . 15681 1 1218 . 1 1 102 102 PRO CB C 13 31.585 0.1 . 1 . . . . 102 P CB . 15681 1 1219 . 1 1 102 102 PRO CD C 13 50.835 0.1 . 1 . . . . 102 P CD . 15681 1 1220 . 1 1 102 102 PRO CG C 13 26.935 0.1 . 1 . . . . 102 P CG . 15681 1 1221 . 1 1 103 103 LEU H H 1 8.320 0.01 . 1 . . . . 103 L HN . 15681 1 1222 . 1 1 103 103 LEU HA H 1 4.256 0.01 . 1 . . . . 103 L HA . 15681 1 1223 . 1 1 103 103 LEU HB2 H 1 1.640 0.01 . 2 . . . . 103 L HB1 . 15681 1 1224 . 1 1 103 103 LEU HB3 H 1 1.640 0.01 . 2 . . . . 103 L HB2 . 15681 1 1225 . 1 1 103 103 LEU HG H 1 1.530 0.01 . 1 . . . . 103 L HG . 15681 1 1226 . 1 1 103 103 LEU C C 13 177.560 0.1 . 1 . . . . 103 L C . 15681 1 1227 . 1 1 103 103 LEU CA C 13 55.426 0.1 . 1 . . . . 103 L CA . 15681 1 1228 . 1 1 103 103 LEU CB C 13 42.052 0.1 . 1 . . . . 103 L CB . 15681 1 1229 . 1 1 103 103 LEU CD1 C 13 24.600 0.1 . 1 . . . . 103 L CD1 . 15681 1 1230 . 1 1 103 103 LEU CD2 C 13 23.940 0.1 . 1 . . . . 103 L CD2 . 15681 1 1231 . 1 1 103 103 LEU CG C 13 26.925 0.1 . 1 . . . . 103 L CG . 15681 1 1232 . 1 1 103 103 LEU N N 15 120.680 0.1 . 1 . . . . 103 L N . 15681 1 1233 . 1 1 104 104 PHE H H 1 8.110 0.01 . 1 . . . . 104 F HN . 15681 1 1234 . 1 1 104 104 PHE HA H 1 4.647 0.01 . 1 . . . . 104 F HA . 15681 1 1235 . 1 1 104 104 PHE HB2 H 1 3.064 0.01 . 2 . . . . 104 F HB1 . 15681 1 1236 . 1 1 104 104 PHE HB3 H 1 3.105 0.01 . 2 . . . . 104 F HB2 . 15681 1 1237 . 1 1 104 104 PHE HD1 H 1 7.280 0.01 . 3 . . . . 104 F HD1 . 15681 1 1238 . 1 1 104 104 PHE HD2 H 1 7.280 0.01 . 3 . . . . 104 F HD2 . 15681 1 1239 . 1 1 104 104 PHE HE1 H 1 7.385 0.01 . 3 . . . . 104 F HE1 . 15681 1 1240 . 1 1 104 104 PHE HE2 H 1 7.385 0.01 . 3 . . . . 104 F HE2 . 15681 1 1241 . 1 1 104 104 PHE HZ H 1 7.310 0.01 . 1 . . . . 104 F HZ . 15681 1 1242 . 1 1 104 104 PHE C C 13 175.800 0.1 . 1 . . . . 104 F C . 15681 1 1243 . 1 1 104 104 PHE CA C 13 57.510 0.1 . 1 . . . . 104 F CA . 15681 1 1244 . 1 1 104 104 PHE CB C 13 39.596 0.1 . 1 . . . . 104 F CB . 15681 1 1245 . 1 1 104 104 PHE CD1 C 13 131.815 0.1 . 3 . . . . 104 F CD1 . 15681 1 1246 . 1 1 104 104 PHE CD2 C 13 131.815 0.1 . 3 . . . . 104 F CD2 . 15681 1 1247 . 1 1 104 104 PHE CE1 C 13 131.865 0.1 . 3 . . . . 104 F CE1 . 15681 1 1248 . 1 1 104 104 PHE CE2 C 13 131.865 0.1 . 3 . . . . 104 F CE2 . 15681 1 1249 . 1 1 104 104 PHE CZ C 13 129.595 0.1 . 1 . . . . 104 F CZ . 15681 1 1250 . 1 1 104 104 PHE N N 15 118.910 0.1 . 1 . . . . 104 F N . 15681 1 1251 . 1 1 105 105 LYS H H 1 8.182 0.01 . 1 . . . . 105 K HN . 15681 1 1252 . 1 1 105 105 LYS HA H 1 4.270 0.01 . 1 . . . . 105 K HA . 15681 1 1253 . 1 1 105 105 LYS HB2 H 1 1.814 0.01 . 2 . . . . 105 K HB1 . 15681 1 1254 . 1 1 105 105 LYS HB3 H 1 1.814 0.01 . 2 . . . . 105 K HB2 . 15681 1 1255 . 1 1 105 105 LYS HD2 H 1 1.698 0.01 . 2 . . . . 105 K HD1 . 15681 1 1256 . 1 1 105 105 LYS HD3 H 1 1.698 0.01 . 2 . . . . 105 K HD2 . 15681 1 1257 . 1 1 105 105 LYS HG2 H 1 1.385 0.01 . 2 . . . . 105 K HG1 . 15681 1 1258 . 1 1 105 105 LYS HG3 H 1 1.385 0.01 . 2 . . . . 105 K HG2 . 15681 1 1259 . 1 1 105 105 LYS C C 13 176.740 0.1 . 1 . . . . 105 K C . 15681 1 1260 . 1 1 105 105 LYS CA C 13 56.805 0.1 . 1 . . . . 105 K CA . 15681 1 1261 . 1 1 105 105 LYS CB C 13 33.125 0.1 . 1 . . . . 105 K CB . 15681 1 1262 . 1 1 105 105 LYS CD C 13 28.595 0.1 . 1 . . . . 105 K CD . 15681 1 1263 . 1 1 105 105 LYS CG C 13 24.935 0.1 . 1 . . . . 105 K CG . 15681 1 1264 . 1 1 105 105 LYS N N 15 121.850 0.1 . 1 . . . . 105 K N . 15681 1 1265 . 1 1 106 106 MET H H 1 8.326 0.01 . 1 . . . . 106 M HN . 15681 1 1266 . 1 1 106 106 MET HA H 1 4.431 0.01 . 1 . . . . 106 M HA . 15681 1 1267 . 1 1 106 106 MET HB2 H 1 2.068 0.01 . 2 . . . . 106 M HB1 . 15681 1 1268 . 1 1 106 106 MET HB3 H 1 2.068 0.01 . 2 . . . . 106 M HB2 . 15681 1 1269 . 1 1 106 106 MET HG2 H 1 2.614 0.01 . 2 . . . . 106 M HG1 . 15681 1 1270 . 1 1 106 106 MET HG3 H 1 2.614 0.01 . 2 . . . . 106 M HG2 . 15681 1 1271 . 1 1 106 106 MET C C 13 176.150 0.1 . 1 . . . . 106 M C . 15681 1 1272 . 1 1 106 106 MET CA C 13 55.931 0.1 . 1 . . . . 106 M CA . 15681 1 1273 . 1 1 106 106 MET CB C 13 32.954 0.1 . 1 . . . . 106 M CB . 15681 1 1274 . 1 1 106 106 MET CG C 13 32.595 0.1 . 1 . . . . 106 M CG . 15681 1 1275 . 1 1 106 106 MET N N 15 120.387 0.1 . 1 . . . . 106 M N . 15681 1 1276 . 1 1 107 107 ASP H H 1 8.419 0.01 . 1 . . . . 107 D HN . 15681 1 1277 . 1 1 107 107 ASP HA H 1 4.608 0.01 . 1 . . . . 107 D HA . 15681 1 1278 . 1 1 107 107 ASP HB2 H 1 2.694 0.01 . 2 . . . . 107 D HB1 . 15681 1 1279 . 1 1 107 107 ASP HB3 H 1 2.694 0.01 . 2 . . . . 107 D HB2 . 15681 1 1280 . 1 1 107 107 ASP C C 13 176.270 0.1 . 1 . . . . 107 D C . 15681 1 1281 . 1 1 107 107 ASP CA C 13 54.308 0.1 . 1 . . . . 107 D CA . 15681 1 1282 . 1 1 107 107 ASP CB C 13 41.132 0.1 . 1 . . . . 107 D CB . 15681 1 1283 . 1 1 107 107 ASP N N 15 120.534 0.1 . 1 . . . . 107 D N . 15681 1 1284 . 1 1 108 108 ARG H H 1 8.330 0.01 . 1 . . . . 108 R HN . 15681 1 1285 . 1 1 108 108 ARG HA H 1 4.260 0.01 . 1 . . . . 108 R HA . 15681 1 1286 . 1 1 108 108 ARG HB2 H 1 1.860 0.01 . 2 . . . . 108 R HB1 . 15681 1 1287 . 1 1 108 108 ARG HB3 H 1 1.860 0.01 . 2 . . . . 108 R HB2 . 15681 1 1288 . 1 1 108 108 ARG HD2 H 1 3.180 0.01 . 2 . . . . 108 R HD1 . 15681 1 1289 . 1 1 108 108 ARG HD3 H 1 3.180 0.01 . 2 . . . . 108 R HD2 . 15681 1 1290 . 1 1 108 108 ARG HG2 H 1 1.620 0.01 . 2 . . . . 108 R HG1 . 15681 1 1291 . 1 1 108 108 ARG HG3 H 1 1.620 0.01 . 2 . . . . 108 R HG2 . 15681 1 1292 . 1 1 108 108 ARG C C 13 176.900 0.1 . 1 . . . . 108 R C . 15681 1 1293 . 1 1 108 108 ARG CA C 13 56.395 0.1 . 1 . . . . 108 R CA . 15681 1 1294 . 1 1 108 108 ARG CB C 13 30.585 0.1 . 1 . . . . 108 R CB . 15681 1 1295 . 1 1 108 108 ARG CD C 13 43.205 0.1 . 1 . . . . 108 R CD . 15681 1 1296 . 1 1 108 108 ARG CG C 13 26.925 0.1 . 1 . . . . 108 R CG . 15681 1 1297 . 1 1 108 108 ARG N N 15 119.900 0.1 . 1 . . . . 108 R N . 15681 1 1298 . 1 1 109 109 GLN H H 1 8.450 0.01 . 1 . . . . 109 Q HN . 15681 1 1299 . 1 1 109 109 GLN HA H 1 4.280 0.01 . 1 . . . . 109 Q HA . 15681 1 1300 . 1 1 109 109 GLN HB2 H 1 2.070 0.01 . 2 . . . . 109 Q HB1 . 15681 1 1301 . 1 1 109 109 GLN HB3 H 1 2.070 0.01 . 2 . . . . 109 Q HB2 . 15681 1 1302 . 1 1 109 109 GLN HG2 H 1 2.390 0.01 . 2 . . . . 109 Q HG1 . 15681 1 1303 . 1 1 109 109 GLN HG3 H 1 2.390 0.01 . 2 . . . . 109 Q HG2 . 15681 1 1304 . 1 1 109 109 GLN C C 13 176.500 0.1 . 1 . . . . 109 Q C . 15681 1 1305 . 1 1 109 109 GLN CA C 13 57.155 0.1 . 1 . . . . 109 Q CA . 15681 1 1306 . 1 1 109 109 GLN CB C 13 29.145 0.1 . 1 . . . . 109 Q CB . 15681 1 1307 . 1 1 109 109 GLN CG C 13 33.905 0.1 . 1 . . . . 109 Q CG . 15681 1 1308 . 1 1 109 109 GLN N N 15 119.700 0.1 . 1 . . . . 109 Q N . 15681 1 1309 . 1 1 110 110 GLN H H 1 8.350 0.01 . 1 . . . . 110 Q HN . 15681 1 1310 . 1 1 110 110 GLN HA H 1 4.350 0.01 . 1 . . . . 110 Q HA . 15681 1 1311 . 1 1 110 110 GLN HB2 H 1 2.090 0.01 . 2 . . . . 110 Q HB1 . 15681 1 1312 . 1 1 110 110 GLN HB3 H 1 2.090 0.01 . 2 . . . . 110 Q HB2 . 15681 1 1313 . 1 1 110 110 GLN HG2 H 1 2.350 0.01 . 2 . . . . 110 Q HG1 . 15681 1 1314 . 1 1 110 110 GLN HG3 H 1 2.350 0.01 . 2 . . . . 110 Q HG2 . 15681 1 1315 . 1 1 110 110 GLN C C 13 176.150 0.1 . 1 . . . . 110 Q C . 15681 1 1316 . 1 1 110 110 GLN CA C 13 55.885 0.1 . 1 . . . . 110 Q CA . 15681 1 1317 . 1 1 110 110 GLN CB C 13 29.345 0.1 . 1 . . . . 110 Q CB . 15681 1 1318 . 1 1 110 110 GLN CG C 13 33.655 0.1 . 1 . . . . 110 Q CG . 15681 1 1319 . 1 1 110 110 GLN N N 15 119.500 0.1 . 1 . . . . 110 Q N . 15681 1 1320 . 1 1 111 111 LEU H H 1 8.320 0.01 . 1 . . . . 111 L HN . 15681 1 1321 . 1 1 111 111 LEU HA H 1 4.355 0.01 . 1 . . . . 111 L HA . 15681 1 1322 . 1 1 111 111 LEU HB2 H 1 1.610 0.01 . 2 . . . . 111 L HB1 . 15681 1 1323 . 1 1 111 111 LEU HB3 H 1 1.610 0.01 . 2 . . . . 111 L HB2 . 15681 1 1324 . 1 1 111 111 LEU HG H 1 1.570 0.01 . 1 . . . . 111 L HG . 15681 1 1325 . 1 1 111 111 LEU C C 13 177.330 0.1 . 1 . . . . 111 L C . 15681 1 1326 . 1 1 111 111 LEU CA C 13 55.860 0.1 . 1 . . . . 111 L CA . 15681 1 1327 . 1 1 111 111 LEU CB C 13 42.409 0.1 . 1 . . . . 111 L CB . 15681 1 1328 . 1 1 111 111 LEU CD1 C 13 25.595 0.1 . 1 . . . . 111 L CD1 . 15681 1 1329 . 1 1 111 111 LEU CD2 C 13 25.595 0.1 . 1 . . . . 111 L CD2 . 15681 1 1330 . 1 1 111 111 LEU CG C 13 26.925 0.1 . 1 . . . . 111 L CG . 15681 1 1331 . 1 1 111 111 LEU N N 15 121.650 0.1 . 1 . . . . 111 L N . 15681 1 1332 . 1 1 112 112 GLN H H 1 8.380 0.01 . 1 . . . . 112 Q HN . 15681 1 1333 . 1 1 112 112 GLN HA H 1 4.355 0.01 . 1 . . . . 112 Q HA . 15681 1 1334 . 1 1 112 112 GLN HB2 H 1 2.040 0.01 . 2 . . . . 112 Q HB1 . 15681 1 1335 . 1 1 112 112 GLN HB3 H 1 2.040 0.01 . 2 . . . . 112 Q HB2 . 15681 1 1336 . 1 1 112 112 GLN HG2 H 1 2.390 0.01 . 2 . . . . 112 Q HG1 . 15681 1 1337 . 1 1 112 112 GLN HG3 H 1 2.390 0.01 . 2 . . . . 112 Q HG2 . 15681 1 1338 . 1 1 112 112 GLN C C 13 175.330 0.1 . 1 . . . . 112 Q C . 15681 1 1339 . 1 1 112 112 GLN CA C 13 55.862 0.1 . 1 . . . . 112 Q CA . 15681 1 1340 . 1 1 112 112 GLN CB C 13 29.378 0.1 . 1 . . . . 112 Q CB . 15681 1 1341 . 1 1 112 112 GLN CG C 13 33.905 0.1 . 1 . . . . 112 Q CG . 15681 1 1342 . 1 1 112 112 GLN N N 15 120.485 0.1 . 1 . . . . 112 Q N . 15681 1 1343 . 1 1 113 113 ARG H H 1 8.055 0.01 . 1 . . . . 113 R HN . 15681 1 1344 . 1 1 113 113 ARG HA H 1 4.178 0.01 . 1 . . . . 113 R HA . 15681 1 1345 . 1 1 113 113 ARG HB2 H 1 1.754 0.01 . 2 . . . . 113 R HB1 . 15681 1 1346 . 1 1 113 113 ARG HB3 H 1 1.873 0.01 . 2 . . . . 113 R HB2 . 15681 1 1347 . 1 1 113 113 ARG HD2 H 1 3.201 0.01 . 2 . . . . 113 R HD1 . 15681 1 1348 . 1 1 113 113 ARG HD3 H 1 3.201 0.01 . 2 . . . . 113 R HD2 . 15681 1 1349 . 1 1 113 113 ARG HG2 H 1 1.639 0.01 . 2 . . . . 113 R HG1 . 15681 1 1350 . 1 1 113 113 ARG HG3 H 1 1.639 0.01 . 2 . . . . 113 R HG2 . 15681 1 1351 . 1 1 113 113 ARG CA C 13 57.394 0.1 . 1 . . . . 113 R CA . 15681 1 1352 . 1 1 113 113 ARG CB C 13 31.447 0.1 . 1 . . . . 113 R CB . 15681 1 1353 . 1 1 113 113 ARG N N 15 127.029 0.1 . 1 . . . . 113 R N . 15681 1 stop_ save_