data_6780 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6780 _Entry.Title ; NMR Assignment of HI1506, a novel two-domain protein from Haemophilus influenzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-17 _Entry.Accession_date 2005-08-17 _Entry.Last_release_date 2005-12-20 _Entry.Original_release_date 2005-12-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nese Sari . . . 6780 2 Victoria Doseeva . . . 6780 3 Karen Subarian . . . 6780 4 Osnat Herzberg . . . 6780 5 John Orban . . . 6780 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6780 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 6780 '15N chemical shifts' 129 6780 '1H chemical shifts' 790 6780 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-12-20 2005-08-17 original author . 6780 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6780 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16341755 _Citation.Full_citation . _Citation.Title 'NMR Assignment of HI1506, a novel two-domain protein from Haemophilus influenzae' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 4 _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 281 _Citation.Page_last 281 _Citation.Year 2005 _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 Nese Sari . . . 6780 1 2 Deok Yeh . C. . 6780 1 3 Victoria Doseeva . . . 6780 1 4 Karen Surabian . . . 6780 1 5 Osnat Herzberg . . . 6780 1 6 John Orban . . . 6780 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6780 _Assembly.ID 1 _Assembly.Name hi1506 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 hi1506 1 $hypothetical_protein . . yes native no no . . . 6780 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hypothetical_protein _Entity.Sf_category entity _Entity.Sf_framecode hypothetical_protein _Entity.Entry_ID 6780 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hi1506 _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 ; GSHMDKTFCVVVQNRIKEGY RRAGFSFHLGDNSLAAVSES QLAQLKADPRLVVQITETGS QEGGEGLSKEPAGSDEQKQL RADPPSTDLNTFTVEQLKAQ LTERGITFKQSATKAELIAL FAPADGEKSEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2OUT . "Solution Structure Of Hi1506, A Novel Two Domain Protein From Haemophilus Influenzae" . . . . . 100.00 131 100.00 100.00 4.99e-89 . . . . 6780 1 2 no GB AAC23165 . "predicted coding region HI1506 [Haemophilus influenzae Rd KW20]" . . . . . 51.15 85 100.00 100.00 1.09e-39 . . . . 6780 1 3 no GB EEW76901 . "Mu-like prophage FluMu protein gp35 [Haemophilus influenzae RdAW]" . . . . . 97.71 128 100.00 100.00 2.34e-86 . . . . 6780 1 4 no REF WP_005693527 . "hypothetical protein [Haemophilus influenzae]" . . . . . 97.71 128 100.00 100.00 2.34e-86 . . . . 6780 1 5 no SP P44228 . "RecName: Full=Mu-like prophage FluMu protein gp35 [Haemophilus influenzae Rd KW20]" . . . . . 97.71 128 100.00 100.00 2.34e-86 . . . . 6780 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 . GLY . 6780 1 2 . SER . 6780 1 3 . HIS . 6780 1 4 . MET . 6780 1 5 . ASP . 6780 1 6 . LYS . 6780 1 7 . THR . 6780 1 8 . PHE . 6780 1 9 . CYS . 6780 1 10 . VAL . 6780 1 11 . VAL . 6780 1 12 . VAL . 6780 1 13 . GLN . 6780 1 14 . ASN . 6780 1 15 . ARG . 6780 1 16 . ILE . 6780 1 17 . LYS . 6780 1 18 . GLU . 6780 1 19 . GLY . 6780 1 20 . TYR . 6780 1 21 . ARG . 6780 1 22 . ARG . 6780 1 23 . ALA . 6780 1 24 . GLY . 6780 1 25 . PHE . 6780 1 26 . SER . 6780 1 27 . PHE . 6780 1 28 . HIS . 6780 1 29 . LEU . 6780 1 30 . GLY . 6780 1 31 . ASP . 6780 1 32 . ASN . 6780 1 33 . SER . 6780 1 34 . LEU . 6780 1 35 . ALA . 6780 1 36 . ALA . 6780 1 37 . VAL . 6780 1 38 . SER . 6780 1 39 . GLU . 6780 1 40 . SER . 6780 1 41 . GLN . 6780 1 42 . LEU . 6780 1 43 . ALA . 6780 1 44 . GLN . 6780 1 45 . LEU . 6780 1 46 . LYS . 6780 1 47 . ALA . 6780 1 48 . ASP . 6780 1 49 . PRO . 6780 1 50 . ARG . 6780 1 51 . LEU . 6780 1 52 . VAL . 6780 1 53 . VAL . 6780 1 54 . GLN . 6780 1 55 . ILE . 6780 1 56 . THR . 6780 1 57 . GLU . 6780 1 58 . THR . 6780 1 59 . GLY . 6780 1 60 . SER . 6780 1 61 . GLN . 6780 1 62 . GLU . 6780 1 63 . GLY . 6780 1 64 . GLY . 6780 1 65 . GLU . 6780 1 66 . GLY . 6780 1 67 . LEU . 6780 1 68 . SER . 6780 1 69 . LYS . 6780 1 70 . GLU . 6780 1 71 . PRO . 6780 1 72 . ALA . 6780 1 73 . GLY . 6780 1 74 . SER . 6780 1 75 . ASP . 6780 1 76 . GLU . 6780 1 77 . GLN . 6780 1 78 . LYS . 6780 1 79 . GLN . 6780 1 80 . LEU . 6780 1 81 . ARG . 6780 1 82 . ALA . 6780 1 83 . ASP . 6780 1 84 . PRO . 6780 1 85 . PRO . 6780 1 86 . SER . 6780 1 87 . THR . 6780 1 88 . ASP . 6780 1 89 . LEU . 6780 1 90 . ASN . 6780 1 91 . THR . 6780 1 92 . PHE . 6780 1 93 . THR . 6780 1 94 . VAL . 6780 1 95 . GLU . 6780 1 96 . GLN . 6780 1 97 . LEU . 6780 1 98 . LYS . 6780 1 99 . ALA . 6780 1 100 . GLN . 6780 1 101 . LEU . 6780 1 102 . THR . 6780 1 103 . GLU . 6780 1 104 . ARG . 6780 1 105 . GLY . 6780 1 106 . ILE . 6780 1 107 . THR . 6780 1 108 . PHE . 6780 1 109 . LYS . 6780 1 110 . GLN . 6780 1 111 . SER . 6780 1 112 . ALA . 6780 1 113 . THR . 6780 1 114 . LYS . 6780 1 115 . ALA . 6780 1 116 . GLU . 6780 1 117 . LEU . 6780 1 118 . ILE . 6780 1 119 . ALA . 6780 1 120 . LEU . 6780 1 121 . PHE . 6780 1 122 . ALA . 6780 1 123 . PRO . 6780 1 124 . ALA . 6780 1 125 . ASP . 6780 1 126 . GLY . 6780 1 127 . GLU . 6780 1 128 . LYS . 6780 1 129 . SER . 6780 1 130 . GLU . 6780 1 131 . ALA . 6780 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6780 1 . SER 2 2 6780 1 . HIS 3 3 6780 1 . MET 4 4 6780 1 . ASP 5 5 6780 1 . LYS 6 6 6780 1 . THR 7 7 6780 1 . PHE 8 8 6780 1 . CYS 9 9 6780 1 . VAL 10 10 6780 1 . VAL 11 11 6780 1 . VAL 12 12 6780 1 . GLN 13 13 6780 1 . ASN 14 14 6780 1 . ARG 15 15 6780 1 . ILE 16 16 6780 1 . LYS 17 17 6780 1 . GLU 18 18 6780 1 . GLY 19 19 6780 1 . TYR 20 20 6780 1 . ARG 21 21 6780 1 . ARG 22 22 6780 1 . ALA 23 23 6780 1 . GLY 24 24 6780 1 . PHE 25 25 6780 1 . SER 26 26 6780 1 . PHE 27 27 6780 1 . HIS 28 28 6780 1 . LEU 29 29 6780 1 . GLY 30 30 6780 1 . ASP 31 31 6780 1 . ASN 32 32 6780 1 . SER 33 33 6780 1 . LEU 34 34 6780 1 . ALA 35 35 6780 1 . ALA 36 36 6780 1 . VAL 37 37 6780 1 . SER 38 38 6780 1 . GLU 39 39 6780 1 . SER 40 40 6780 1 . GLN 41 41 6780 1 . LEU 42 42 6780 1 . ALA 43 43 6780 1 . GLN 44 44 6780 1 . LEU 45 45 6780 1 . LYS 46 46 6780 1 . ALA 47 47 6780 1 . ASP 48 48 6780 1 . PRO 49 49 6780 1 . ARG 50 50 6780 1 . LEU 51 51 6780 1 . VAL 52 52 6780 1 . VAL 53 53 6780 1 . GLN 54 54 6780 1 . ILE 55 55 6780 1 . THR 56 56 6780 1 . GLU 57 57 6780 1 . THR 58 58 6780 1 . GLY 59 59 6780 1 . SER 60 60 6780 1 . GLN 61 61 6780 1 . GLU 62 62 6780 1 . GLY 63 63 6780 1 . GLY 64 64 6780 1 . GLU 65 65 6780 1 . GLY 66 66 6780 1 . LEU 67 67 6780 1 . SER 68 68 6780 1 . LYS 69 69 6780 1 . GLU 70 70 6780 1 . PRO 71 71 6780 1 . ALA 72 72 6780 1 . GLY 73 73 6780 1 . SER 74 74 6780 1 . ASP 75 75 6780 1 . GLU 76 76 6780 1 . GLN 77 77 6780 1 . LYS 78 78 6780 1 . GLN 79 79 6780 1 . LEU 80 80 6780 1 . ARG 81 81 6780 1 . ALA 82 82 6780 1 . ASP 83 83 6780 1 . PRO 84 84 6780 1 . PRO 85 85 6780 1 . SER 86 86 6780 1 . THR 87 87 6780 1 . ASP 88 88 6780 1 . LEU 89 89 6780 1 . ASN 90 90 6780 1 . THR 91 91 6780 1 . PHE 92 92 6780 1 . THR 93 93 6780 1 . VAL 94 94 6780 1 . GLU 95 95 6780 1 . GLN 96 96 6780 1 . LEU 97 97 6780 1 . LYS 98 98 6780 1 . ALA 99 99 6780 1 . GLN 100 100 6780 1 . LEU 101 101 6780 1 . THR 102 102 6780 1 . GLU 103 103 6780 1 . ARG 104 104 6780 1 . GLY 105 105 6780 1 . ILE 106 106 6780 1 . THR 107 107 6780 1 . PHE 108 108 6780 1 . LYS 109 109 6780 1 . GLN 110 110 6780 1 . SER 111 111 6780 1 . ALA 112 112 6780 1 . THR 113 113 6780 1 . LYS 114 114 6780 1 . ALA 115 115 6780 1 . GLU 116 116 6780 1 . LEU 117 117 6780 1 . ILE 118 118 6780 1 . ALA 119 119 6780 1 . LEU 120 120 6780 1 . PHE 121 121 6780 1 . ALA 122 122 6780 1 . PRO 123 123 6780 1 . ALA 124 124 6780 1 . ASP 125 125 6780 1 . GLY 126 126 6780 1 . GLU 127 127 6780 1 . LYS 128 128 6780 1 . SER 129 129 6780 1 . GLU 130 130 6780 1 . ALA 131 131 6780 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 6780 _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 $hypothetical_protein . 727 organism no . 'Haemophilus influenza' . . Bacteria . Haemophilus influenzae . . . . . . . . . . . . . . . . . . . . . 6780 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 6780 _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 $hypothetical_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6780 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6780 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hi1506 '[U-13C; U-15N]' . . 1 $hypothetical_protein . . 1.0 . . mM 0.1 . . . 6780 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 6780 1 3 NaCl . . . . . . . 100 . . mM . . . . 6780 1 4 DTT . . . . . . . 1 . . mM . . . . 6780 1 5 D2O . . . . . . . 90 . . % . . . . 6780 1 6 H2O . . . . . . . 10 . . % . . . . 6780 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6780 _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' 100 1 mM 6780 1 pH 7 0 pH 6780 1 pressure 760 0 mmHg 6780 1 temperature 298 0.1 K 6780 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6780 _Software.ID 1 _Software.Name SPARKY _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'manual peak assignments' 6780 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6780 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6780 _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 15n-hsqc no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 2 13c-hsqc no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 3 hbcbhd no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 4 hbcbhdhe no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 5 hncacb no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 6 cbcaconh no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 7 hnco no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 8 hbhaconh no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 9 hcconh no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 10 cconh no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 11 15n-noesy-hsqc no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 12 13c-noesy-hsqc no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6780 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6780 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6780 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6780 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6780 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6780 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6780 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 3 3 HIS CB C 13 30.342 0.5 . 1 . . . . 3 HIS CB . 6780 1 2 . 1 1 3 3 HIS CD2 C 13 119.049 0.5 . 1 . . . . 3 HIS CD2 . 6780 1 3 . 1 1 4 4 MET HA H 1 4.529 0.05 . 1 . . . . 4 MET HA . 6780 1 4 . 1 1 4 4 MET HB2 H 1 2.134 0.05 . 2 . . . . 4 MET HB2 . 6780 1 5 . 1 1 4 4 MET HB3 H 1 1.951 0.05 . 2 . . . . 4 MET HB3 . 6780 1 6 . 1 1 4 4 MET C C 13 175.605 0.5 . 1 . . . . 4 MET CO . 6780 1 7 . 1 1 4 4 MET CA C 13 55.127 0.5 . 1 . . . . 4 MET CA . 6780 1 8 . 1 1 4 4 MET CB C 13 32.923 0.5 . 1 . . . . 4 MET CB . 6780 1 9 . 1 1 4 4 MET CG C 13 31.866 0.5 . 1 . . . . 4 MET CG . 6780 1 10 . 1 1 5 5 ASP H H 1 8.272 0.05 . 1 . . . . 5 ASP HN . 6780 1 11 . 1 1 5 5 ASP HA H 1 4.775 0.05 . 1 . . . . 5 ASP HA . 6780 1 12 . 1 1 5 5 ASP HB2 H 1 2.851 0.05 . 2 . . . . 5 ASP HB2 . 6780 1 13 . 1 1 5 5 ASP HB3 H 1 2.71 0.05 . 2 . . . . 5 ASP HB3 . 6780 1 14 . 1 1 5 5 ASP CA C 13 54.427 0.5 . 1 . . . . 5 ASP CA . 6780 1 15 . 1 1 5 5 ASP CB C 13 41.346 0.5 . 1 . . . . 5 ASP CB . 6780 1 16 . 1 1 5 5 ASP N N 15 122.275 0.5 . 1 . . . . 5 ASP N . 6780 1 17 . 1 1 6 6 LYS H H 1 8.699 0.05 . 1 . . . . 6 LYS HN . 6780 1 18 . 1 1 6 6 LYS HA H 1 4.331 0.05 . 1 . . . . 6 LYS HA . 6780 1 19 . 1 1 6 6 LYS HB2 H 1 1.71 0.05 . 1 . . . . 6 LYS HB2 . 6780 1 20 . 1 1 6 6 LYS HB3 H 1 1.71 0.05 . 1 . . . . 6 LYS HB3 . 6780 1 21 . 1 1 6 6 LYS HG2 H 1 1.326 0.05 . 1 . . . . 6 LYS HG2 . 6780 1 22 . 1 1 6 6 LYS HG3 H 1 1.326 0.05 . 1 . . . . 6 LYS HG3 . 6780 1 23 . 1 1 6 6 LYS HE2 H 1 2.944 0.05 . 1 . . . . 6 LYS HE2 . 6780 1 24 . 1 1 6 6 LYS HE3 H 1 2.944 0.05 . 1 . . . . 6 LYS HE3 . 6780 1 25 . 1 1 6 6 LYS C C 13 175.667 0.5 . 1 . . . . 6 LYS CO . 6780 1 26 . 1 1 6 6 LYS CA C 13 56.084 0.5 . 1 . . . . 6 LYS CA . 6780 1 27 . 1 1 6 6 LYS CB C 13 33.434 0.5 . 1 . . . . 6 LYS CB . 6780 1 28 . 1 1 6 6 LYS CG C 13 24.839 0.5 . 1 . . . . 6 LYS CG . 6780 1 29 . 1 1 6 6 LYS CD C 13 29.137 0.5 . 1 . . . . 6 LYS CD . 6780 1 30 . 1 1 6 6 LYS CE C 13 42.073 0.5 . 1 . . . . 6 LYS CE . 6780 1 31 . 1 1 6 6 LYS N N 15 121.923 0.5 . 1 . . . . 6 LYS N . 6780 1 32 . 1 1 7 7 THR H H 1 7.681 0.05 . 1 . . . . 7 THR HN . 6780 1 33 . 1 1 7 7 THR HA H 1 4.925 0.05 . 1 . . . . 7 THR HA . 6780 1 34 . 1 1 7 7 THR HB H 1 3.893 0.05 . 1 . . . . 7 THR HB . 6780 1 35 . 1 1 7 7 THR HG21 H 1 1.045 0.05 . 1 . . . . 7 THR HG23 . 6780 1 36 . 1 1 7 7 THR HG22 H 1 1.045 0.05 . 1 . . . . 7 THR HG23 . 6780 1 37 . 1 1 7 7 THR HG23 H 1 1.045 0.05 . 1 . . . . 7 THR HG23 . 6780 1 38 . 1 1 7 7 THR C C 13 173.322 0.5 . 1 . . . . 7 THR CO . 6780 1 39 . 1 1 7 7 THR CA C 13 59.576 0.5 . 1 . . . . 7 THR CA . 6780 1 40 . 1 1 7 7 THR CB C 13 71.904 0.5 . 1 . . . . 7 THR CB . 6780 1 41 . 1 1 7 7 THR CG2 C 13 21.352 0.5 . 1 . . . . 7 THR CG2 . 6780 1 42 . 1 1 7 7 THR N N 15 112.939 0.5 . 1 . . . . 7 THR N . 6780 1 43 . 1 1 8 8 PHE H H 1 9.047 0.05 . 1 . . . . 8 PHE HN . 6780 1 44 . 1 1 8 8 PHE HA H 1 4.903 0.05 . 1 . . . . 8 PHE HA . 6780 1 45 . 1 1 8 8 PHE HB2 H 1 2.994 0.05 . 1 . . . . 8 PHE HB2 . 6780 1 46 . 1 1 8 8 PHE HB3 H 1 2.994 0.05 . 1 . . . . 8 PHE HB3 . 6780 1 47 . 1 1 8 8 PHE HD1 H 1 7.154 0.05 . 1 . . . . 8 PHE HD2 . 6780 1 48 . 1 1 8 8 PHE HD2 H 1 7.154 0.05 . 1 . . . . 8 PHE HD3 . 6780 1 49 . 1 1 8 8 PHE HE1 H 1 7.118 0.05 . 1 . . . . 8 PHE HE2 . 6780 1 50 . 1 1 8 8 PHE HE2 H 1 7.118 0.05 . 1 . . . . 8 PHE HE3 . 6780 1 51 . 1 1 8 8 PHE C C 13 174.562 0.5 . 1 . . . . 8 PHE CO . 6780 1 52 . 1 1 8 8 PHE CA C 13 57.064 0.5 . 1 . . . . 8 PHE CA . 6780 1 53 . 1 1 8 8 PHE CB C 13 42.795 0.5 . 1 . . . . 8 PHE CB . 6780 1 54 . 1 1 8 8 PHE CD1 C 13 127.672 0.5 . 1 . . . . 8 PHE CD# . 6780 1 55 . 1 1 8 8 PHE CD2 C 13 127.672 0.5 . 1 . . . . 8 PHE CD# . 6780 1 56 . 1 1 8 8 PHE CE1 C 13 128.859 0.5 . 1 . . . . 8 PHE CE# . 6780 1 57 . 1 1 8 8 PHE CE2 C 13 128.859 0.5 . 1 . . . . 8 PHE CE# . 6780 1 58 . 1 1 8 8 PHE N N 15 118.744 0.5 . 1 . . . . 8 PHE N . 6780 1 59 . 1 1 9 9 CYS H H 1 8.784 0.05 . 1 . . . . 9 CYS HN . 6780 1 60 . 1 1 9 9 CYS HA H 1 5.208 0.05 . 1 . . . . 9 CYS HA . 6780 1 61 . 1 1 9 9 CYS HB2 H 1 2.971 0.05 . 1 . . . . 9 CYS HB2 . 6780 1 62 . 1 1 9 9 CYS HB3 H 1 2.971 0.05 . 1 . . . . 9 CYS HB3 . 6780 1 63 . 1 1 9 9 CYS C C 13 174.857 0.5 . 1 . . . . 9 CYS CO . 6780 1 64 . 1 1 9 9 CYS CA C 13 57.568 0.5 . 1 . . . . 9 CYS CA . 6780 1 65 . 1 1 9 9 CYS CB C 13 28.216 0.5 . 1 . . . . 9 CYS CB . 6780 1 66 . 1 1 9 9 CYS N N 15 121.558 0.5 . 1 . . . . 9 CYS N . 6780 1 67 . 1 1 10 10 VAL H H 1 8.607 0.05 . 1 . . . . 10 VAL HN . 6780 1 68 . 1 1 10 10 VAL HA H 1 5.362 0.05 . 1 . . . . 10 VAL HA . 6780 1 69 . 1 1 10 10 VAL HB H 1 1.936 0.05 . 1 . . . . 10 VAL HB . 6780 1 70 . 1 1 10 10 VAL HG11 H 1 0.742 0.05 . 1 . . . . 10 VAL HG13 . 6780 1 71 . 1 1 10 10 VAL HG12 H 1 0.742 0.05 . 1 . . . . 10 VAL HG13 . 6780 1 72 . 1 1 10 10 VAL HG13 H 1 0.742 0.05 . 1 . . . . 10 VAL HG13 . 6780 1 73 . 1 1 10 10 VAL HG21 H 1 0.742 0.05 . 1 . . . . 10 VAL HG23 . 6780 1 74 . 1 1 10 10 VAL HG22 H 1 0.742 0.05 . 1 . . . . 10 VAL HG23 . 6780 1 75 . 1 1 10 10 VAL HG23 H 1 0.742 0.05 . 1 . . . . 10 VAL HG23 . 6780 1 76 . 1 1 10 10 VAL C C 13 174.673 0.5 . 1 . . . . 10 VAL CO . 6780 1 77 . 1 1 10 10 VAL CA C 13 58.845 0.5 . 1 . . . . 10 VAL CA . 6780 1 78 . 1 1 10 10 VAL CB C 13 36.752 0.5 . 1 . . . . 10 VAL CB . 6780 1 79 . 1 1 10 10 VAL CG1 C 13 22.185 0.5 . 1 . . . . 10 VAL CG1 . 6780 1 80 . 1 1 10 10 VAL CG2 C 13 21.491 0.5 . 1 . . . . 10 VAL CG2 . 6780 1 81 . 1 1 10 10 VAL N N 15 118.913 0.5 . 1 . . . . 10 VAL N . 6780 1 82 . 1 1 11 11 VAL H H 1 8.902 0.05 . 1 . . . . 11 VAL HN . 6780 1 83 . 1 1 11 11 VAL HA H 1 4.851 0.05 . 1 . . . . 11 VAL HA . 6780 1 84 . 1 1 11 11 VAL HB H 1 1.898 0.05 . 1 . . . . 11 VAL HB . 6780 1 85 . 1 1 11 11 VAL HG11 H 1 0.856 0.05 . 1 . . . . 11 VAL HG13 . 6780 1 86 . 1 1 11 11 VAL HG12 H 1 0.856 0.05 . 1 . . . . 11 VAL HG13 . 6780 1 87 . 1 1 11 11 VAL HG13 H 1 0.856 0.05 . 1 . . . . 11 VAL HG13 . 6780 1 88 . 1 1 11 11 VAL HG21 H 1 0.856 0.05 . 1 . . . . 11 VAL HG23 . 6780 1 89 . 1 1 11 11 VAL HG22 H 1 0.856 0.05 . 1 . . . . 11 VAL HG23 . 6780 1 90 . 1 1 11 11 VAL HG23 H 1 0.856 0.05 . 1 . . . . 11 VAL HG23 . 6780 1 91 . 1 1 11 11 VAL C C 13 175.462 0.5 . 1 . . . . 11 VAL CO . 6780 1 92 . 1 1 11 11 VAL CA C 13 61.184 0.5 . 1 . . . . 11 VAL CA . 6780 1 93 . 1 1 11 11 VAL CB C 13 34.213 0.5 . 1 . . . . 11 VAL CB . 6780 1 94 . 1 1 11 11 VAL CG1 C 13 21.186 0.5 . 1 . . . . 11 VAL CG1 . 6780 1 95 . 1 1 11 11 VAL CG2 C 13 21.186 0.5 . 1 . . . . 11 VAL CG2 . 6780 1 96 . 1 1 11 11 VAL N N 15 123.149 0.5 . 1 . . . . 11 VAL N . 6780 1 97 . 1 1 12 12 VAL H H 1 9.044 0.05 . 1 . . . . 12 VAL HN . 6780 1 98 . 1 1 12 12 VAL HA H 1 4.7 0.05 . 1 . . . . 12 VAL HA . 6780 1 99 . 1 1 12 12 VAL HB H 1 1.518 0.05 . 1 . . . . 12 VAL HB . 6780 1 100 . 1 1 12 12 VAL HG11 H 1 0.785 0.05 . 1 . . . . 12 VAL HG13 . 6780 1 101 . 1 1 12 12 VAL HG12 H 1 0.785 0.05 . 1 . . . . 12 VAL HG13 . 6780 1 102 . 1 1 12 12 VAL HG13 H 1 0.785 0.05 . 1 . . . . 12 VAL HG13 . 6780 1 103 . 1 1 12 12 VAL HG21 H 1 0.032 0.05 . 1 . . . . 12 VAL HG23 . 6780 1 104 . 1 1 12 12 VAL HG22 H 1 0.032 0.05 . 1 . . . . 12 VAL HG23 . 6780 1 105 . 1 1 12 12 VAL HG23 H 1 0.032 0.05 . 1 . . . . 12 VAL HG23 . 6780 1 106 . 1 1 12 12 VAL C C 13 175.892 0.5 . 1 . . . . 12 VAL CO . 6780 1 107 . 1 1 12 12 VAL CA C 13 60.364 0.5 . 1 . . . . 12 VAL CA . 6780 1 108 . 1 1 12 12 VAL CB C 13 34.504 0.5 . 1 . . . . 12 VAL CB . 6780 1 109 . 1 1 12 12 VAL CG1 C 13 21.723 0.5 . 1 . . . . 12 VAL CG1 . 6780 1 110 . 1 1 12 12 VAL CG2 C 13 21.723 0.5 . 1 . . . . 12 VAL CG2 . 6780 1 111 . 1 1 12 12 VAL N N 15 127.235 0.5 . 1 . . . . 12 VAL N . 6780 1 112 . 1 1 13 13 GLN H H 1 9.368 0.05 . 1 . . . . 13 GLN HN . 6780 1 113 . 1 1 13 13 GLN HA H 1 4.836 0.05 . 1 . . . . 13 GLN HA . 6780 1 114 . 1 1 13 13 GLN HB2 H 1 1.994 0.05 . 1 . . . . 13 GLN HB2 . 6780 1 115 . 1 1 13 13 GLN HB3 H 1 1.994 0.05 . 1 . . . . 13 GLN HB3 . 6780 1 116 . 1 1 13 13 GLN HG2 H 1 2.185 0.05 . 1 . . . . 13 GLN HG2 . 6780 1 117 . 1 1 13 13 GLN HG3 H 1 2.185 0.05 . 1 . . . . 13 GLN HG3 . 6780 1 118 . 1 1 13 13 GLN C C 13 174.861 0.5 . 1 . . . . 13 GLN CO . 6780 1 119 . 1 1 13 13 GLN CA C 13 55.028 0.5 . 1 . . . . 13 GLN CA . 6780 1 120 . 1 1 13 13 GLN CB C 13 30.059 0.5 . 1 . . . . 13 GLN CB . 6780 1 121 . 1 1 13 13 GLN CG C 13 33.942 0.5 . 1 . . . . 13 GLN CG . 6780 1 122 . 1 1 13 13 GLN N N 15 129.308 0.5 . 1 . . . . 13 GLN N . 6780 1 123 . 1 1 14 14 ASN H H 1 8.727 0.05 . 1 . . . . 14 ASN HN . 6780 1 124 . 1 1 14 14 ASN HA H 1 4.845 0.05 . 1 . . . . 14 ASN HA . 6780 1 125 . 1 1 14 14 ASN HB2 H 1 3.282 0.05 . 2 . . . . 14 ASN HB2 . 6780 1 126 . 1 1 14 14 ASN HB3 H 1 2.079 0.05 . 2 . . . . 14 ASN HB3 . 6780 1 127 . 1 1 14 14 ASN HD21 H 1 6.013 0.05 . 2 . . . . 14 ASN HD21 . 6780 1 128 . 1 1 14 14 ASN HD22 H 1 7.535 0.05 . 2 . . . . 14 ASN HD22 . 6780 1 129 . 1 1 14 14 ASN C C 13 174.194 0.5 . 1 . . . . 14 ASN CO . 6780 1 130 . 1 1 14 14 ASN CA C 13 50.79 0.5 . 1 . . . . 14 ASN CA . 6780 1 131 . 1 1 14 14 ASN CB C 13 39.773 0.5 . 1 . . . . 14 ASN CB . 6780 1 132 . 1 1 14 14 ASN N N 15 124.942 0.5 . 1 . . . . 14 ASN N . 6780 1 133 . 1 1 14 14 ASN ND2 N 15 111.883 0.5 . 1 . . . . 14 ASN ND2 . 6780 1 134 . 1 1 15 15 ARG H H 1 9 0.05 . 1 . . . . 15 ARG HN . 6780 1 135 . 1 1 15 15 ARG HA H 1 4.601 0.05 . 1 . . . . 15 ARG HA . 6780 1 136 . 1 1 15 15 ARG HB2 H 1 2.09 0.05 . 2 . . . . 15 ARG HB2 . 6780 1 137 . 1 1 15 15 ARG HB3 H 1 1.653 0.05 . 2 . . . . 15 ARG HB3 . 6780 1 138 . 1 1 15 15 ARG HG2 H 1 1.58 0.05 . 1 . . . . 15 ARG HG2 . 6780 1 139 . 1 1 15 15 ARG HG3 H 1 1.58 0.05 . 1 . . . . 15 ARG HG3 . 6780 1 140 . 1 1 15 15 ARG HD2 H 1 3.178 0.05 . 1 . . . . 15 ARG HD2 . 6780 1 141 . 1 1 15 15 ARG HD3 H 1 3.178 0.05 . 1 . . . . 15 ARG HD3 . 6780 1 142 . 1 1 15 15 ARG C C 13 175.444 0.5 . 1 . . . . 15 ARG CO . 6780 1 143 . 1 1 15 15 ARG CA C 13 54.306 0.5 . 1 . . . . 15 ARG CA . 6780 1 144 . 1 1 15 15 ARG CB C 13 29.578 0.5 . 1 . . . . 15 ARG CB . 6780 1 145 . 1 1 15 15 ARG CG C 13 26.951 0.5 . 1 . . . . 15 ARG CG . 6780 1 146 . 1 1 15 15 ARG CD C 13 43.026 0.5 . 1 . . . . 15 ARG CD . 6780 1 147 . 1 1 15 15 ARG N N 15 126.693 0.5 . 1 . . . . 15 ARG N . 6780 1 148 . 1 1 16 16 ILE H H 1 8.179 0.05 . 1 . . . . 16 ILE HN . 6780 1 149 . 1 1 16 16 ILE HA H 1 3.881 0.05 . 1 . . . . 16 ILE HA . 6780 1 150 . 1 1 16 16 ILE HB H 1 1.628 0.05 . 1 . . . . 16 ILE HB . 6780 1 151 . 1 1 16 16 ILE HG13 H 1 1.555 0.05 . 2 . . . . 16 ILE HG13 . 6780 1 152 . 1 1 16 16 ILE HG21 H 1 1.096 0.05 . 1 . . . . 16 ILE HG23 . 6780 1 153 . 1 1 16 16 ILE HG22 H 1 1.096 0.05 . 1 . . . . 16 ILE HG23 . 6780 1 154 . 1 1 16 16 ILE HG23 H 1 1.096 0.05 . 1 . . . . 16 ILE HG23 . 6780 1 155 . 1 1 16 16 ILE HD11 H 1 0.918 0.05 . 1 . . . . 16 ILE HD13 . 6780 1 156 . 1 1 16 16 ILE HD12 H 1 0.918 0.05 . 1 . . . . 16 ILE HD13 . 6780 1 157 . 1 1 16 16 ILE HD13 H 1 0.918 0.05 . 1 . . . . 16 ILE HD13 . 6780 1 158 . 1 1 16 16 ILE C C 13 175.680 0.5 . 1 . . . . 16 ILE CO . 6780 1 159 . 1 1 16 16 ILE CA C 13 62.868 0.5 . 1 . . . . 16 ILE CA . 6780 1 160 . 1 1 16 16 ILE CB C 13 38.156 0.5 . 1 . . . . 16 ILE CB . 6780 1 161 . 1 1 16 16 ILE CG1 C 13 26.994 0.5 . 1 . . . . 16 ILE CG1 . 6780 1 162 . 1 1 16 16 ILE CG2 C 13 17.984 0.5 . 1 . . . . 16 ILE CG2 . 6780 1 163 . 1 1 16 16 ILE CD1 C 13 17.987 0.5 . 1 . . . . 16 ILE CD1 . 6780 1 164 . 1 1 16 16 ILE N N 15 121.835 0.5 . 1 . . . . 16 ILE N . 6780 1 165 . 1 1 17 17 LYS H H 1 7.095 0.05 . 1 . . . . 17 LYS HN . 6780 1 166 . 1 1 17 17 LYS HA H 1 4.555 0.05 . 1 . . . . 17 LYS HA . 6780 1 167 . 1 1 17 17 LYS HB2 H 1 2.017 0.05 . 1 . . . . 17 LYS HB2 . 6780 1 168 . 1 1 17 17 LYS HB3 H 1 2.017 0.05 . 1 . . . . 17 LYS HB3 . 6780 1 169 . 1 1 17 17 LYS HG2 H 1 1.453 0.05 . 1 . . . . 17 LYS HG2 . 6780 1 170 . 1 1 17 17 LYS HG3 H 1 1.453 0.05 . 1 . . . . 17 LYS HG3 . 6780 1 171 . 1 1 17 17 LYS HD2 H 1 1.892 0.05 . 1 . . . . 17 LYS HD2 . 6780 1 172 . 1 1 17 17 LYS HD3 H 1 1.892 0.05 . 1 . . . . 17 LYS HD3 . 6780 1 173 . 1 1 17 17 LYS HE2 H 1 3.057 0.05 . 1 . . . . 17 LYS HE2 . 6780 1 174 . 1 1 17 17 LYS HE3 H 1 3.057 0.05 . 1 . . . . 17 LYS HE3 . 6780 1 175 . 1 1 17 17 LYS C C 13 175.101 0.5 . 1 . . . . 17 LYS CO . 6780 1 176 . 1 1 17 17 LYS CA C 13 55.289 0.5 . 1 . . . . 17 LYS CA . 6780 1 177 . 1 1 17 17 LYS CB C 13 34.839 0.5 . 1 . . . . 17 LYS CB . 6780 1 178 . 1 1 17 17 LYS CG C 13 23.636 0.5 . 1 . . . . 17 LYS CG . 6780 1 179 . 1 1 17 17 LYS CD C 13 29.454 0.5 . 1 . . . . 17 LYS CD . 6780 1 180 . 1 1 17 17 LYS CE C 13 42.292 0.5 . 1 . . . . 17 LYS CE . 6780 1 181 . 1 1 17 17 LYS N N 15 112.365 0.5 . 1 . . . . 17 LYS N . 6780 1 182 . 1 1 18 18 GLU H H 1 9.361 0.05 . 1 . . . . 18 GLU HN . 6780 1 183 . 1 1 18 18 GLU HA H 1 4.213 0.05 . 1 . . . . 18 GLU HA . 6780 1 184 . 1 1 18 18 GLU HB2 H 1 2.224 0.05 . 2 . . . . 18 GLU HB2 . 6780 1 185 . 1 1 18 18 GLU HB3 H 1 2.075 0.05 . 2 . . . . 18 GLU HB3 . 6780 1 186 . 1 1 18 18 GLU HG2 H 1 2.605 0.05 . 1 . . . . 18 GLU HG2 . 6780 1 187 . 1 1 18 18 GLU HG3 H 1 2.605 0.05 . 1 . . . . 18 GLU HG3 . 6780 1 188 . 1 1 18 18 GLU C C 13 176.728 0.5 . 1 . . . . 18 GLU CO . 6780 1 189 . 1 1 18 18 GLU CA C 13 57.73 0.5 . 1 . . . . 18 GLU CA . 6780 1 190 . 1 1 18 18 GLU CB C 13 29.097 0.5 . 1 . . . . 18 GLU CB . 6780 1 191 . 1 1 18 18 GLU CG C 13 34.85 0.5 . 1 . . . . 18 GLU CG . 6780 1 192 . 1 1 18 18 GLU N N 15 127.85 0.5 . 1 . . . . 18 GLU N . 6780 1 193 . 1 1 19 19 GLY H H 1 8.6 0.05 . 1 . . . . 19 GLY HN . 6780 1 194 . 1 1 19 19 GLY HA2 H 1 4.132 0.05 . 2 . . . . 19 GLY HA2 . 6780 1 195 . 1 1 19 19 GLY HA3 H 1 3.569 0.05 . 2 . . . . 19 GLY HA3 . 6780 1 196 . 1 1 19 19 GLY C C 13 174.285 0.5 . 1 . . . . 19 GLY CO . 6780 1 197 . 1 1 19 19 GLY CA C 13 46.026 0.5 . 1 . . . . 19 GLY CA . 6780 1 198 . 1 1 19 19 GLY N N 15 117.404 0.5 . 1 . . . . 19 GLY N . 6780 1 199 . 1 1 20 20 TYR H H 1 7.318 0.05 . 1 . . . . 20 TYR HN . 6780 1 200 . 1 1 20 20 TYR HA H 1 4.163 0.05 . 1 . . . . 20 TYR HA . 6780 1 201 . 1 1 20 20 TYR HB2 H 1 3.341 0.05 . 2 . . . . 20 TYR HB2 . 6780 1 202 . 1 1 20 20 TYR HB3 H 1 2.892 0.05 . 2 . . . . 20 TYR HB3 . 6780 1 203 . 1 1 20 20 TYR HD1 H 1 6.856 0.05 . 1 . . . . 20 TYR HD2 . 6780 1 204 . 1 1 20 20 TYR HD2 H 1 6.856 0.05 . 1 . . . . 20 TYR HD3 . 6780 1 205 . 1 1 20 20 TYR HE1 H 1 6.755 0.05 . 1 . . . . 20 TYR HE2 . 6780 1 206 . 1 1 20 20 TYR HE2 H 1 6.755 0.05 . 1 . . . . 20 TYR HE3 . 6780 1 207 . 1 1 20 20 TYR C C 13 173.955 0.5 . 1 . . . . 20 TYR CO . 6780 1 208 . 1 1 20 20 TYR CA C 13 59.586 0.5 . 1 . . . . 20 TYR CA . 6780 1 209 . 1 1 20 20 TYR CB C 13 39.885 0.5 . 1 . . . . 20 TYR CB . 6780 1 210 . 1 1 20 20 TYR CD1 C 13 128.788 0.5 . 1 . . . . 20 TYR CD# . 6780 1 211 . 1 1 20 20 TYR CD2 C 13 128.788 0.5 . 1 . . . . 20 TYR CD# . 6780 1 212 . 1 1 20 20 TYR CE1 C 13 127.78 0.5 . 1 . . . . 20 TYR CE# . 6780 1 213 . 1 1 20 20 TYR CE2 C 13 127.78 0.5 . 1 . . . . 20 TYR CE# . 6780 1 214 . 1 1 20 20 TYR N N 15 121.906 0.5 . 1 . . . . 20 TYR N . 6780 1 215 . 1 1 21 21 ARG H H 1 7.507 0.05 . 1 . . . . 21 ARG HN . 6780 1 216 . 1 1 21 21 ARG HA H 1 5.421 0.05 . 1 . . . . 21 ARG HA . 6780 1 217 . 1 1 21 21 ARG HB2 H 1 1.59 0.05 . 1 . . . . 21 ARG HB2 . 6780 1 218 . 1 1 21 21 ARG HB3 H 1 1.59 0.05 . 1 . . . . 21 ARG HB3 . 6780 1 219 . 1 1 21 21 ARG HG2 H 1 1.478 0.05 . 1 . . . . 21 ARG HG2 . 6780 1 220 . 1 1 21 21 ARG HG3 H 1 1.478 0.05 . 1 . . . . 21 ARG HG3 . 6780 1 221 . 1 1 21 21 ARG HD2 H 1 3.086 0.05 . 1 . . . . 21 ARG HD2 . 6780 1 222 . 1 1 21 21 ARG HD3 H 1 3.086 0.05 . 1 . . . . 21 ARG HD3 . 6780 1 223 . 1 1 21 21 ARG C C 13 175.545 0.5 . 1 . . . . 21 ARG CO . 6780 1 224 . 1 1 21 21 ARG CA C 13 54.134 0.5 . 1 . . . . 21 ARG CA . 6780 1 225 . 1 1 21 21 ARG CB C 13 32.849 0.5 . 1 . . . . 21 ARG CB . 6780 1 226 . 1 1 21 21 ARG CG C 13 27.106 0.5 . 1 . . . . 21 ARG CG . 6780 1 227 . 1 1 21 21 ARG CD C 13 43.489 0.5 . 1 . . . . 21 ARG CD . 6780 1 228 . 1 1 21 21 ARG N N 15 127.405 0.5 . 1 . . . . 21 ARG N . 6780 1 229 . 1 1 22 22 ARG H H 1 8.079 0.05 . 1 . . . . 22 ARG HN . 6780 1 230 . 1 1 22 22 ARG HA H 1 4.343 0.05 . 1 . . . . 22 ARG HA . 6780 1 231 . 1 1 22 22 ARG HB2 H 1 2.311 0.05 . 2 . . . . 22 ARG HB2 . 6780 1 232 . 1 1 22 22 ARG HB3 H 1 1.882 0.05 . 2 . . . . 22 ARG HB3 . 6780 1 233 . 1 1 22 22 ARG HG2 H 1 1.797 0.05 . 1 . . . . 22 ARG HG2 . 6780 1 234 . 1 1 22 22 ARG HG3 H 1 1.797 0.05 . 1 . . . . 22 ARG HG3 . 6780 1 235 . 1 1 22 22 ARG HD2 H 1 3.701 0.05 . 1 . . . . 22 ARG HD2 . 6780 1 236 . 1 1 22 22 ARG HD3 H 1 3.701 0.05 . 1 . . . . 22 ARG HD3 . 6780 1 237 . 1 1 22 22 ARG C C 13 174.564 0.5 . 1 . . . . 22 ARG CO . 6780 1 238 . 1 1 22 22 ARG CA C 13 55.052 0.5 . 1 . . . . 22 ARG CA . 6780 1 239 . 1 1 22 22 ARG CB C 13 32.186 0.5 . 1 . . . . 22 ARG CB . 6780 1 240 . 1 1 22 22 ARG CG C 13 26.972 0.5 . 1 . . . . 22 ARG CG . 6780 1 241 . 1 1 22 22 ARG CD C 13 41.256 0.5 . 1 . . . . 22 ARG CD . 6780 1 242 . 1 1 22 22 ARG N N 15 120.957 0.5 . 1 . . . . 22 ARG N . 6780 1 243 . 1 1 23 23 ALA H H 1 9.263 0.05 . 1 . . . . 23 ALA HN . 6780 1 244 . 1 1 23 23 ALA HA H 1 4.114 0.05 . 1 . . . . 23 ALA HA . 6780 1 245 . 1 1 23 23 ALA HB1 H 1 1.665 0.05 . 1 . . . . 23 ALA HB . 6780 1 246 . 1 1 23 23 ALA HB2 H 1 1.665 0.05 . 1 . . . . 23 ALA HB . 6780 1 247 . 1 1 23 23 ALA HB3 H 1 1.665 0.05 . 1 . . . . 23 ALA HB . 6780 1 248 . 1 1 23 23 ALA C C 13 174.795 0.5 . 1 . . . . 23 ALA CO . 6780 1 249 . 1 1 23 23 ALA CA C 13 52.799 0.5 . 1 . . . . 23 ALA CA . 6780 1 250 . 1 1 23 23 ALA CB C 13 18.643 0.5 . 1 . . . . 23 ALA CB . 6780 1 251 . 1 1 23 23 ALA N N 15 127.164 0.5 . 1 . . . . 23 ALA N . 6780 1 252 . 1 1 24 24 GLY H H 1 8.373 0.05 . 1 . . . . 24 GLY HN . 6780 1 253 . 1 1 24 24 GLY HA2 H 1 3.956 0.05 . 2 . . . . 24 GLY HA2 . 6780 1 254 . 1 1 24 24 GLY HA3 H 1 3.376 0.05 . 2 . . . . 24 GLY HA3 . 6780 1 255 . 1 1 24 24 GLY C C 13 174.046 0.5 . 1 . . . . 24 GLY CO . 6780 1 256 . 1 1 24 24 GLY CA C 13 44.806 0.5 . 1 . . . . 24 GLY CA . 6780 1 257 . 1 1 24 24 GLY N N 15 103.61 0.5 . 1 . . . . 24 GLY N . 6780 1 258 . 1 1 25 25 PHE H H 1 7.763 0.05 . 1 . . . . 25 PHE HN . 6780 1 259 . 1 1 25 25 PHE HA H 1 4.521 0.05 . 1 . . . . 25 PHE HA . 6780 1 260 . 1 1 25 25 PHE HB2 H 1 2.601 0.05 . 2 . . . . 25 PHE HB2 . 6780 1 261 . 1 1 25 25 PHE HB3 H 1 2.257 0.05 . 2 . . . . 25 PHE HB3 . 6780 1 262 . 1 1 25 25 PHE HD1 H 1 7.259 0.05 . 1 . . . . 25 PHE HD2 . 6780 1 263 . 1 1 25 25 PHE HD2 H 1 7.259 0.05 . 1 . . . . 25 PHE HD3 . 6780 1 264 . 1 1 25 25 PHE HE1 H 1 7.216 0.05 . 1 . . . . 25 PHE HE2 . 6780 1 265 . 1 1 25 25 PHE HE2 H 1 7.216 0.05 . 1 . . . . 25 PHE HE3 . 6780 1 266 . 1 1 25 25 PHE C C 13 174.439 0.5 . 1 . . . . 25 PHE CO . 6780 1 267 . 1 1 25 25 PHE CA C 13 56.615 0.5 . 1 . . . . 25 PHE CA . 6780 1 268 . 1 1 25 25 PHE CB C 13 41.958 0.5 . 1 . . . . 25 PHE CB . 6780 1 269 . 1 1 25 25 PHE CD1 C 13 128.37 0.5 . 1 . . . . 25 PHE CD# . 6780 1 270 . 1 1 25 25 PHE CD2 C 13 128.37 0.5 . 1 . . . . 25 PHE CD# . 6780 1 271 . 1 1 25 25 PHE CE1 C 13 128.919 0.5 . 1 . . . . 25 PHE CE# . 6780 1 272 . 1 1 25 25 PHE CE2 C 13 128.919 0.5 . 1 . . . . 25 PHE CE# . 6780 1 273 . 1 1 25 25 PHE N N 15 120.427 0.5 . 1 . . . . 25 PHE N . 6780 1 274 . 1 1 26 26 SER H H 1 8.046 0.05 . 1 . . . . 26 SER HN . 6780 1 275 . 1 1 26 26 SER HA H 1 4.729 0.05 . 1 . . . . 26 SER HA . 6780 1 276 . 1 1 26 26 SER HB2 H 1 3.566 0.05 . 2 . . . . 26 SER HB2 . 6780 1 277 . 1 1 26 26 SER HB3 H 1 3.432 0.05 . 2 . . . . 26 SER HB3 . 6780 1 278 . 1 1 26 26 SER C C 13 174.152 0.5 . 1 . . . . 26 SER CO . 6780 1 279 . 1 1 26 26 SER CA C 13 57.819 0.5 . 1 . . . . 26 SER CA . 6780 1 280 . 1 1 26 26 SER CB C 13 63.905 0.5 . 1 . . . . 26 SER CB . 6780 1 281 . 1 1 26 26 SER N N 15 114.763 0.5 . 1 . . . . 26 SER N . 6780 1 282 . 1 1 27 27 PHE H H 1 8.985 0.05 . 1 . . . . 27 PHE HN . 6780 1 283 . 1 1 27 27 PHE HA H 1 4.758 0.05 . 1 . . . . 27 PHE HA . 6780 1 284 . 1 1 27 27 PHE HB2 H 1 3.228 0.05 . 2 . . . . 27 PHE HB2 . 6780 1 285 . 1 1 27 27 PHE HB3 H 1 2.959 0.05 . 2 . . . . 27 PHE HB3 . 6780 1 286 . 1 1 27 27 PHE HD1 H 1 7.114 0.05 . 1 . . . . 27 PHE HD2 . 6780 1 287 . 1 1 27 27 PHE HD2 H 1 7.114 0.05 . 1 . . . . 27 PHE HD3 . 6780 1 288 . 1 1 27 27 PHE HE1 H 1 7.218 0.05 . 1 . . . . 27 PHE HE2 . 6780 1 289 . 1 1 27 27 PHE HE2 H 1 7.218 0.05 . 1 . . . . 27 PHE HE3 . 6780 1 290 . 1 1 27 27 PHE C C 13 176.969 0.5 . 1 . . . . 27 PHE CO . 6780 1 291 . 1 1 27 27 PHE CA C 13 57.69 0.5 . 1 . . . . 27 PHE CA . 6780 1 292 . 1 1 27 27 PHE CB C 13 41.23 0.5 . 1 . . . . 27 PHE CB . 6780 1 293 . 1 1 27 27 PHE CD1 C 13 125.942 0.5 . 1 . . . . 27 PHE CD# . 6780 1 294 . 1 1 27 27 PHE CD2 C 13 125.942 0.5 . 1 . . . . 27 PHE CD# . 6780 1 295 . 1 1 27 27 PHE CE1 C 13 125.003 0.5 . 1 . . . . 27 PHE CE# . 6780 1 296 . 1 1 27 27 PHE CE2 C 13 125.003 0.5 . 1 . . . . 27 PHE CE# . 6780 1 297 . 1 1 27 27 PHE N N 15 123.809 0.5 . 1 . . . . 27 PHE N . 6780 1 298 . 1 1 28 28 HIS H H 1 8.643 0.05 . 1 . . . . 28 HIS HN . 6780 1 299 . 1 1 28 28 HIS HA H 1 5.212 0.05 . 1 . . . . 28 HIS HA . 6780 1 300 . 1 1 28 28 HIS HB2 H 1 3.488 0.05 . 1 . . . . 28 HIS HB2 . 6780 1 301 . 1 1 28 28 HIS HB3 H 1 3.488 0.05 . 1 . . . . 28 HIS HB3 . 6780 1 302 . 1 1 28 28 HIS HD2 H 1 7.286 0.05 . 1 . . . . 28 HIS HD2 . 6780 1 303 . 1 1 28 28 HIS C C 13 178.285 0.5 . 1 . . . . 28 HIS CO . 6780 1 304 . 1 1 28 28 HIS CA C 13 54.41 0.5 . 1 . . . . 28 HIS CA . 6780 1 305 . 1 1 28 28 HIS CB C 13 30.133 0.5 . 1 . . . . 28 HIS CB . 6780 1 306 . 1 1 28 28 HIS CD2 C 13 127.378 0.5 . 1 . . . . 28 HIS CD2 . 6780 1 307 . 1 1 28 28 HIS N N 15 121.486 0.5 . 1 . . . . 28 HIS N . 6780 1 308 . 1 1 29 29 LEU H H 1 9.136 0.05 . 1 . . . . 29 LEU HN . 6780 1 309 . 1 1 29 29 LEU HA H 1 4.375 0.05 . 1 . . . . 29 LEU HA . 6780 1 310 . 1 1 29 29 LEU HB2 H 1 1.67 0.05 . 1 . . . . 29 LEU HB2 . 6780 1 311 . 1 1 29 29 LEU HB3 H 1 1.67 0.05 . 1 . . . . 29 LEU HB3 . 6780 1 312 . 1 1 29 29 LEU HG H 1 1.603 0.05 . 1 . . . . 29 LEU HG . 6780 1 313 . 1 1 29 29 LEU HD11 H 1 0.903 0.05 . 1 . . . . 29 LEU HD13 . 6780 1 314 . 1 1 29 29 LEU HD12 H 1 0.903 0.05 . 1 . . . . 29 LEU HD13 . 6780 1 315 . 1 1 29 29 LEU HD13 H 1 0.903 0.05 . 1 . . . . 29 LEU HD13 . 6780 1 316 . 1 1 29 29 LEU HD21 H 1 0.703 0.05 . 1 . . . . 29 LEU HD23 . 6780 1 317 . 1 1 29 29 LEU HD22 H 1 0.703 0.05 . 1 . . . . 29 LEU HD23 . 6780 1 318 . 1 1 29 29 LEU HD23 H 1 0.703 0.05 . 1 . . . . 29 LEU HD23 . 6780 1 319 . 1 1 29 29 LEU C C 13 177.909 0.5 . 1 . . . . 29 LEU CO . 6780 1 320 . 1 1 29 29 LEU CA C 13 57.006 0.5 . 1 . . . . 29 LEU CA . 6780 1 321 . 1 1 29 29 LEU CB C 13 42.479 0.5 . 1 . . . . 29 LEU CB . 6780 1 322 . 1 1 29 29 LEU CG C 13 27.435 0.5 . 1 . . . . 29 LEU CG . 6780 1 323 . 1 1 29 29 LEU CD1 C 13 24.895 0.5 . 1 . . . . 29 LEU CD1 . 6780 1 324 . 1 1 29 29 LEU CD2 C 13 23.503 0.5 . 1 . . . . 29 LEU CD2 . 6780 1 325 . 1 1 29 29 LEU N N 15 127.092 0.5 . 1 . . . . 29 LEU N . 6780 1 326 . 1 1 30 30 GLY H H 1 9.159 0.05 . 1 . . . . 30 GLY HN . 6780 1 327 . 1 1 30 30 GLY HA2 H 1 4.485 0.05 . 2 . . . . 30 GLY HA2 . 6780 1 328 . 1 1 30 30 GLY HA3 H 1 3.643 0.05 . 2 . . . . 30 GLY HA3 . 6780 1 329 . 1 1 30 30 GLY C C 13 173.837 0.5 . 1 . . . . 30 GLY CO . 6780 1 330 . 1 1 30 30 GLY CA C 13 44.128 0.5 . 1 . . . . 30 GLY CA . 6780 1 331 . 1 1 30 30 GLY N N 15 113.746 0.5 . 1 . . . . 30 GLY N . 6780 1 332 . 1 1 31 31 ASP H H 1 8.773 0.05 . 1 . . . . 31 ASP HN . 6780 1 333 . 1 1 31 31 ASP HA H 1 4.822 0.05 . 1 . . . . 31 ASP HA . 6780 1 334 . 1 1 31 31 ASP HB2 H 1 2.53 0.05 . 2 . . . . 31 ASP HB2 . 6780 1 335 . 1 1 31 31 ASP HB3 H 1 2.541 0.05 . 2 . . . . 31 ASP HB3 . 6780 1 336 . 1 1 31 31 ASP C C 13 176.590 0.5 . 1 . . . . 31 ASP CO . 6780 1 337 . 1 1 31 31 ASP CA C 13 55.049 0.5 . 1 . . . . 31 ASP CA . 6780 1 338 . 1 1 31 31 ASP CB C 13 40.665 0.5 . 1 . . . . 31 ASP CB . 6780 1 339 . 1 1 31 31 ASP N N 15 124.606 0.5 . 1 . . . . 31 ASP N . 6780 1 340 . 1 1 32 32 ASN H H 1 8.767 0.05 . 1 . . . . 32 ASN HN . 6780 1 341 . 1 1 32 32 ASN HA H 1 5.156 0.05 . 1 . . . . 32 ASN HA . 6780 1 342 . 1 1 32 32 ASN HB2 H 1 3.113 0.05 . 2 . . . . 32 ASN HB2 . 6780 1 343 . 1 1 32 32 ASN HB3 H 1 2.526 0.05 . 2 . . . . 32 ASN HB3 . 6780 1 344 . 1 1 32 32 ASN HD21 H 1 6.017 0.05 . 2 . . . . 32 ASN HD21 . 6780 1 345 . 1 1 32 32 ASN HD22 H 1 7.528 0.05 . 2 . . . . 32 ASN HD22 . 6780 1 346 . 1 1 32 32 ASN C C 13 173.218 0.5 . 1 . . . . 32 ASN CO . 6780 1 347 . 1 1 32 32 ASN CA C 13 52.24 0.5 . 1 . . . . 32 ASN CA . 6780 1 348 . 1 1 32 32 ASN CB C 13 42.163 0.5 . 1 . . . . 32 ASN CB . 6780 1 349 . 1 1 32 32 ASN N N 15 121.475 0.5 . 1 . . . . 32 ASN N . 6780 1 350 . 1 1 32 32 ASN ND2 N 15 111.963 0.5 . 1 . . . . 32 ASN ND2 . 6780 1 351 . 1 1 33 33 SER H H 1 9.147 0.05 . 1 . . . . 33 SER HN . 6780 1 352 . 1 1 33 33 SER HA H 1 5.025 0.05 . 1 . . . . 33 SER HA . 6780 1 353 . 1 1 33 33 SER HB2 H 1 3.893 0.05 . 1 . . . . 33 SER HB2 . 6780 1 354 . 1 1 33 33 SER HB3 H 1 3.893 0.05 . 1 . . . . 33 SER HB3 . 6780 1 355 . 1 1 33 33 SER C C 13 173.599 0.5 . 1 . . . . 33 SER CO . 6780 1 356 . 1 1 33 33 SER CA C 13 58.358 0.5 . 1 . . . . 33 SER CA . 6780 1 357 . 1 1 33 33 SER CB C 13 63.182 0.5 . 1 . . . . 33 SER CB . 6780 1 358 . 1 1 33 33 SER N N 15 121.293 0.5 . 1 . . . . 33 SER N . 6780 1 359 . 1 1 34 34 LEU H H 1 8.968 0.05 . 1 . . . . 34 LEU HN . 6780 1 360 . 1 1 34 34 LEU HA H 1 4.79 0.05 . 1 . . . . 34 LEU HA . 6780 1 361 . 1 1 34 34 LEU HB2 H 1 1.552 0.05 . 2 . . . . 34 LEU HB2 . 6780 1 362 . 1 1 34 34 LEU HB3 H 1 1.202 0.05 . 2 . . . . 34 LEU HB3 . 6780 1 363 . 1 1 34 34 LEU HD11 H 1 0.643 0.05 . 1 . . . . 34 LEU HD13 . 6780 1 364 . 1 1 34 34 LEU HD12 H 1 0.643 0.05 . 1 . . . . 34 LEU HD13 . 6780 1 365 . 1 1 34 34 LEU HD13 H 1 0.643 0.05 . 1 . . . . 34 LEU HD13 . 6780 1 366 . 1 1 34 34 LEU HD21 H 1 0.252 0.05 . 1 . . . . 34 LEU HD23 . 6780 1 367 . 1 1 34 34 LEU HD22 H 1 0.252 0.05 . 1 . . . . 34 LEU HD23 . 6780 1 368 . 1 1 34 34 LEU HD23 H 1 0.252 0.05 . 1 . . . . 34 LEU HD23 . 6780 1 369 . 1 1 34 34 LEU C C 13 175.340 0.5 . 1 . . . . 34 LEU CO . 6780 1 370 . 1 1 34 34 LEU CA C 13 53.651 0.5 . 1 . . . . 34 LEU CA . 6780 1 371 . 1 1 34 34 LEU CB C 13 44.334 0.5 . 1 . . . . 34 LEU CB . 6780 1 372 . 1 1 34 34 LEU CG C 13 26.617 0.5 . 1 . . . . 34 LEU CG . 6780 1 373 . 1 1 34 34 LEU CD1 C 13 24.876 0.5 . 1 . . . . 34 LEU CD1 . 6780 1 374 . 1 1 34 34 LEU CD2 C 13 23.003 0.5 . 1 . . . . 34 LEU CD2 . 6780 1 375 . 1 1 34 34 LEU N N 15 127.947 0.5 . 1 . . . . 34 LEU N . 6780 1 376 . 1 1 35 35 ALA H H 1 8.404 0.05 . 1 . . . . 35 ALA HN . 6780 1 377 . 1 1 35 35 ALA HA H 1 4.736 0.05 . 1 . . . . 35 ALA HA . 6780 1 378 . 1 1 35 35 ALA HB1 H 1 1.478 0.05 . 1 . . . . 35 ALA HB . 6780 1 379 . 1 1 35 35 ALA HB2 H 1 1.478 0.05 . 1 . . . . 35 ALA HB . 6780 1 380 . 1 1 35 35 ALA HB3 H 1 1.478 0.05 . 1 . . . . 35 ALA HB . 6780 1 381 . 1 1 35 35 ALA C C 13 176.961 0.5 . 1 . . . . 35 ALA CO . 6780 1 382 . 1 1 35 35 ALA CA C 13 52.462 0.5 . 1 . . . . 35 ALA CA . 6780 1 383 . 1 1 35 35 ALA CB C 13 20.738 0.5 . 1 . . . . 35 ALA CB . 6780 1 384 . 1 1 35 35 ALA N N 15 125.066 0.5 . 1 . . . . 35 ALA N . 6780 1 385 . 1 1 36 36 ALA H H 1 8.061 0.05 . 1 . . . . 36 ALA HN . 6780 1 386 . 1 1 36 36 ALA HA H 1 4.257 0.05 . 1 . . . . 36 ALA HA . 6780 1 387 . 1 1 36 36 ALA HB1 H 1 1.369 0.05 . 1 . . . . 36 ALA HB . 6780 1 388 . 1 1 36 36 ALA HB2 H 1 1.369 0.05 . 1 . . . . 36 ALA HB . 6780 1 389 . 1 1 36 36 ALA HB3 H 1 1.369 0.05 . 1 . . . . 36 ALA HB . 6780 1 390 . 1 1 36 36 ALA C C 13 175.980 0.5 . 1 . . . . 36 ALA CO . 6780 1 391 . 1 1 36 36 ALA CA C 13 52.426 0.5 . 1 . . . . 36 ALA CA . 6780 1 392 . 1 1 36 36 ALA CB C 13 18.25 0.5 . 1 . . . . 36 ALA CB . 6780 1 393 . 1 1 36 36 ALA N N 15 120.436 0.5 . 1 . . . . 36 ALA N . 6780 1 394 . 1 1 37 37 VAL H H 1 9.076 0.05 . 1 . . . . 37 VAL HN . 6780 1 395 . 1 1 37 37 VAL HA H 1 4.578 0.05 . 1 . . . . 37 VAL HA . 6780 1 396 . 1 1 37 37 VAL HB H 1 2.257 0.05 . 1 . . . . 37 VAL HB . 6780 1 397 . 1 1 37 37 VAL HG11 H 1 1.007 0.05 . 1 . . . . 37 VAL HG13 . 6780 1 398 . 1 1 37 37 VAL HG12 H 1 1.007 0.05 . 1 . . . . 37 VAL HG13 . 6780 1 399 . 1 1 37 37 VAL HG13 H 1 1.007 0.05 . 1 . . . . 37 VAL HG13 . 6780 1 400 . 1 1 37 37 VAL HG21 H 1 1.007 0.05 . 1 . . . . 37 VAL HG23 . 6780 1 401 . 1 1 37 37 VAL HG22 H 1 1.007 0.05 . 1 . . . . 37 VAL HG23 . 6780 1 402 . 1 1 37 37 VAL HG23 H 1 1.007 0.05 . 1 . . . . 37 VAL HG23 . 6780 1 403 . 1 1 37 37 VAL C C 13 176.040 0.5 . 1 . . . . 37 VAL CO . 6780 1 404 . 1 1 37 37 VAL CA C 13 61.529 0.5 . 1 . . . . 37 VAL CA . 6780 1 405 . 1 1 37 37 VAL CB C 13 33.465 0.5 . 1 . . . . 37 VAL CB . 6780 1 406 . 1 1 37 37 VAL CG1 C 13 22.92 0.5 . 1 . . . . 37 VAL CG1 . 6780 1 407 . 1 1 37 37 VAL CG2 C 13 22.92 0.5 . 1 . . . . 37 VAL CG2 . 6780 1 408 . 1 1 37 37 VAL N N 15 121.8 0.5 . 1 . . . . 37 VAL N . 6780 1 409 . 1 1 38 38 SER H H 1 9.073 0.05 . 1 . . . . 38 SER HN . 6780 1 410 . 1 1 38 38 SER HA H 1 4.928 0.05 . 1 . . . . 38 SER HA . 6780 1 411 . 1 1 38 38 SER HB2 H 1 4.633 0.05 . 2 . . . . 38 SER HB2 . 6780 1 412 . 1 1 38 38 SER HB3 H 1 4.153 0.05 . 2 . . . . 38 SER HB3 . 6780 1 413 . 1 1 38 38 SER C C 13 175.182 0.5 . 1 . . . . 38 SER CO . 6780 1 414 . 1 1 38 38 SER CA C 13 57.378 0.5 . 1 . . . . 38 SER CA . 6780 1 415 . 1 1 38 38 SER CB C 13 65.876 0.5 . 1 . . . . 38 SER CB . 6780 1 416 . 1 1 38 38 SER N N 15 121.984 0.5 . 1 . . . . 38 SER N . 6780 1 417 . 1 1 39 39 GLU H H 1 9.268 0.05 . 1 . . . . 39 GLU HN . 6780 1 418 . 1 1 39 39 GLU HA H 1 4.108 0.05 . 1 . . . . 39 GLU HA . 6780 1 419 . 1 1 39 39 GLU HB2 H 1 2.327 0.05 . 1 . . . . 39 GLU HB2 . 6780 1 420 . 1 1 39 39 GLU HB3 H 1 2.327 0.05 . 1 . . . . 39 GLU HB3 . 6780 1 421 . 1 1 39 39 GLU HG2 H 1 2.513 0.05 . 1 . . . . 39 GLU HG2 . 6780 1 422 . 1 1 39 39 GLU HG3 H 1 2.513 0.05 . 1 . . . . 39 GLU HG3 . 6780 1 423 . 1 1 39 39 GLU C C 13 179.201 0.5 . 1 . . . . 39 GLU CO . 6780 1 424 . 1 1 39 39 GLU CA C 13 60.789 0.5 . 1 . . . . 39 GLU CA . 6780 1 425 . 1 1 39 39 GLU CB C 13 30.23 0.5 . 1 . . . . 39 GLU CB . 6780 1 426 . 1 1 39 39 GLU CG C 13 37.054 0.5 . 1 . . . . 39 GLU CG . 6780 1 427 . 1 1 39 39 GLU N N 15 120.891 0.5 . 1 . . . . 39 GLU N . 6780 1 428 . 1 1 40 40 SER H H 1 8.589 0.05 . 1 . . . . 40 SER HN . 6780 1 429 . 1 1 40 40 SER HA H 1 4.356 0.05 . 1 . . . . 40 SER HA . 6780 1 430 . 1 1 40 40 SER HB2 H 1 3.964 0.05 . 1 . . . . 40 SER HB2 . 6780 1 431 . 1 1 40 40 SER HB3 H 1 3.964 0.05 . 1 . . . . 40 SER HB3 . 6780 1 432 . 1 1 40 40 SER C C 13 177.926 0.5 . 1 . . . . 40 SER CO . 6780 1 433 . 1 1 40 40 SER CA C 13 61.054 0.5 . 1 . . . . 40 SER CA . 6780 1 434 . 1 1 40 40 SER CB C 13 62.479 0.5 . 1 . . . . 40 SER CB . 6780 1 435 . 1 1 40 40 SER N N 15 114.765 0.5 . 1 . . . . 40 SER N . 6780 1 436 . 1 1 41 41 GLN H H 1 7.895 0.05 . 1 . . . . 41 GLN HN . 6780 1 437 . 1 1 41 41 GLN HA H 1 4.165 0.05 . 1 . . . . 41 GLN HA . 6780 1 438 . 1 1 41 41 GLN HB2 H 1 2.755 0.05 . 2 . . . . 41 GLN HB2 . 6780 1 439 . 1 1 41 41 GLN HB3 H 1 1.997 0.05 . 2 . . . . 41 GLN HB3 . 6780 1 440 . 1 1 41 41 GLN HG2 H 1 2.715 0.05 . 1 . . . . 41 GLN HG2 . 6780 1 441 . 1 1 41 41 GLN HG3 H 1 2.715 0.05 . 1 . . . . 41 GLN HG3 . 6780 1 442 . 1 1 41 41 GLN HE21 H 1 6.013 0.05 . 2 . . . . 41 GLN HE21 . 6780 1 443 . 1 1 41 41 GLN HE22 H 1 7.315 0.05 . 2 . . . . 41 GLN HE22 . 6780 1 444 . 1 1 41 41 GLN C C 13 178.274 0.5 . 1 . . . . 41 GLN CO . 6780 1 445 . 1 1 41 41 GLN CA C 13 58.95 0.5 . 1 . . . . 41 GLN CA . 6780 1 446 . 1 1 41 41 GLN CB C 13 29.809 0.5 . 1 . . . . 41 GLN CB . 6780 1 447 . 1 1 41 41 GLN CG C 13 34.776 0.5 . 1 . . . . 41 GLN CG . 6780 1 448 . 1 1 41 41 GLN N N 15 122.618 0.5 . 1 . . . . 41 GLN N . 6780 1 449 . 1 1 41 41 GLN NE2 N 15 111.653 0.5 . 1 . . . . 41 GLN NE2 . 6780 1 450 . 1 1 42 42 LEU H H 1 8.852 0.05 . 1 . . . . 42 LEU HN . 6780 1 451 . 1 1 42 42 LEU HA H 1 3.885 0.05 . 1 . . . . 42 LEU HA . 6780 1 452 . 1 1 42 42 LEU HB2 H 1 1.919 0.05 . 2 . . . . 42 LEU HB2 . 6780 1 453 . 1 1 42 42 LEU HB3 H 1 1.308 0.05 . 2 . . . . 42 LEU HB3 . 6780 1 454 . 1 1 42 42 LEU HG H 1 1.321 0.05 . 1 . . . . 42 LEU HG . 6780 1 455 . 1 1 42 42 LEU HD11 H 1 0.638 0.05 . 1 . . . . 42 LEU HD13 . 6780 1 456 . 1 1 42 42 LEU HD12 H 1 0.638 0.05 . 1 . . . . 42 LEU HD13 . 6780 1 457 . 1 1 42 42 LEU HD13 H 1 0.638 0.05 . 1 . . . . 42 LEU HD13 . 6780 1 458 . 1 1 42 42 LEU HD21 H 1 0.154 0.05 . 1 . . . . 42 LEU HD23 . 6780 1 459 . 1 1 42 42 LEU HD22 H 1 0.154 0.05 . 1 . . . . 42 LEU HD23 . 6780 1 460 . 1 1 42 42 LEU HD23 H 1 0.154 0.05 . 1 . . . . 42 LEU HD23 . 6780 1 461 . 1 1 42 42 LEU C C 13 178.098 0.5 . 1 . . . . 42 LEU CO . 6780 1 462 . 1 1 42 42 LEU CA C 13 58.167 0.5 . 1 . . . . 42 LEU CA . 6780 1 463 . 1 1 42 42 LEU CB C 13 41.412 0.5 . 1 . . . . 42 LEU CB . 6780 1 464 . 1 1 42 42 LEU CG C 13 26.399 0.5 . 1 . . . . 42 LEU CG . 6780 1 465 . 1 1 42 42 LEU CD1 C 13 24.774 0.5 . 1 . . . . 42 LEU CD1 . 6780 1 466 . 1 1 42 42 LEU CD2 C 13 24.07 0.5 . 1 . . . . 42 LEU CD2 . 6780 1 467 . 1 1 42 42 LEU N N 15 120.5 0.5 . 1 . . . . 42 LEU N . 6780 1 468 . 1 1 43 43 ALA H H 1 7.872 0.05 . 1 . . . . 43 ALA HN . 6780 1 469 . 1 1 43 43 ALA HA H 1 4.029 0.05 . 1 . . . . 43 ALA HA . 6780 1 470 . 1 1 43 43 ALA HB1 H 1 1.561 0.05 . 1 . . . . 43 ALA HB . 6780 1 471 . 1 1 43 43 ALA HB2 H 1 1.561 0.05 . 1 . . . . 43 ALA HB . 6780 1 472 . 1 1 43 43 ALA HB3 H 1 1.561 0.05 . 1 . . . . 43 ALA HB . 6780 1 473 . 1 1 43 43 ALA C C 13 180.984 0.5 . 1 . . . . 43 ALA CO . 6780 1 474 . 1 1 43 43 ALA CA C 13 55.261 0.5 . 1 . . . . 43 ALA CA . 6780 1 475 . 1 1 43 43 ALA CB C 13 17.812 0.5 . 1 . . . . 43 ALA CB . 6780 1 476 . 1 1 43 43 ALA N N 15 119.958 0.5 . 1 . . . . 43 ALA N . 6780 1 477 . 1 1 44 44 GLN H H 1 7.587 0.05 . 1 . . . . 44 GLN HN . 6780 1 478 . 1 1 44 44 GLN HA H 1 4.217 0.05 . 1 . . . . 44 GLN HA . 6780 1 479 . 1 1 44 44 GLN HB2 H 1 2.058 0.05 . 1 . . . . 44 GLN HB2 . 6780 1 480 . 1 1 44 44 GLN HB3 H 1 2.058 0.05 . 1 . . . . 44 GLN HB3 . 6780 1 481 . 1 1 44 44 GLN HG2 H 1 2.312 0.05 . 1 . . . . 44 GLN HG2 . 6780 1 482 . 1 1 44 44 GLN HG3 H 1 2.312 0.05 . 1 . . . . 44 GLN HG3 . 6780 1 483 . 1 1 44 44 GLN CA C 13 58.587 0.5 . 1 . . . . 44 GLN CA . 6780 1 484 . 1 1 44 44 GLN CB C 13 30.12 0.5 . 1 . . . . 44 GLN CB . 6780 1 485 . 1 1 44 44 GLN CG C 13 34.689 0.5 . 1 . . . . 44 GLN CG . 6780 1 486 . 1 1 44 44 GLN N N 15 116.954 0.5 . 1 . . . . 44 GLN N . 6780 1 487 . 1 1 45 45 LEU H H 1 8.282 0.05 . 1 . . . . 45 LEU HN . 6780 1 488 . 1 1 45 45 LEU HA H 1 4.054 0.05 . 1 . . . . 45 LEU HA . 6780 1 489 . 1 1 45 45 LEU HB2 H 1 2.107 0.05 . 2 . . . . 45 LEU HB2 . 6780 1 490 . 1 1 45 45 LEU HB3 H 1 1.25 0.05 . 2 . . . . 45 LEU HB3 . 6780 1 491 . 1 1 45 45 LEU HD11 H 1 0.727 0.05 . 1 . . . . 45 LEU HD13 . 6780 1 492 . 1 1 45 45 LEU HD12 H 1 0.727 0.05 . 1 . . . . 45 LEU HD13 . 6780 1 493 . 1 1 45 45 LEU HD13 H 1 0.727 0.05 . 1 . . . . 45 LEU HD13 . 6780 1 494 . 1 1 45 45 LEU HD21 H 1 0.727 0.05 . 1 . . . . 45 LEU HD23 . 6780 1 495 . 1 1 45 45 LEU HD22 H 1 0.727 0.05 . 1 . . . . 45 LEU HD23 . 6780 1 496 . 1 1 45 45 LEU HD23 H 1 0.727 0.05 . 1 . . . . 45 LEU HD23 . 6780 1 497 . 1 1 45 45 LEU C C 13 178.536 0.5 . 1 . . . . 45 LEU CO . 6780 1 498 . 1 1 45 45 LEU CA C 13 58.096 0.5 . 1 . . . . 45 LEU CA . 6780 1 499 . 1 1 45 45 LEU CB C 13 42.557 0.5 . 1 . . . . 45 LEU CB . 6780 1 500 . 1 1 45 45 LEU CG C 13 25.381 0.5 . 1 . . . . 45 LEU CG . 6780 1 501 . 1 1 45 45 LEU CD1 C 13 23.943 0.5 . 1 . . . . 45 LEU CD# . 6780 1 502 . 1 1 45 45 LEU CD2 C 13 23.943 0.5 . 1 . . . . 45 LEU CD# . 6780 1 503 . 1 1 45 45 LEU N N 15 120.675 0.5 . 1 . . . . 45 LEU N . 6780 1 504 . 1 1 46 46 LYS H H 1 8.492 0.05 . 1 . . . . 46 LYS HN . 6780 1 505 . 1 1 46 46 LYS HA H 1 3.891 0.05 . 1 . . . . 46 LYS HA . 6780 1 506 . 1 1 46 46 LYS HB2 H 1 1.805 0.05 . 1 . . . . 46 LYS HB2 . 6780 1 507 . 1 1 46 46 LYS HB3 H 1 1.805 0.05 . 1 . . . . 46 LYS HB3 . 6780 1 508 . 1 1 46 46 LYS HG2 H 1 1.465 0.05 . 1 . . . . 46 LYS HG2 . 6780 1 509 . 1 1 46 46 LYS HG3 H 1 1.465 0.05 . 1 . . . . 46 LYS HG3 . 6780 1 510 . 1 1 46 46 LYS HE2 H 1 2.889 0.05 . 1 . . . . 46 LYS HE2 . 6780 1 511 . 1 1 46 46 LYS HE3 H 1 2.889 0.05 . 1 . . . . 46 LYS HE3 . 6780 1 512 . 1 1 46 46 LYS C C 13 177.212 0.5 . 1 . . . . 46 LYS CO . 6780 1 513 . 1 1 46 46 LYS CA C 13 58.607 0.5 . 1 . . . . 46 LYS CA . 6780 1 514 . 1 1 46 46 LYS CB C 13 32.238 0.5 . 1 . . . . 46 LYS CB . 6780 1 515 . 1 1 46 46 LYS CG C 13 25.827 0.5 . 1 . . . . 46 LYS CG . 6780 1 516 . 1 1 46 46 LYS CD C 13 29.335 0.5 . 1 . . . . 46 LYS CD . 6780 1 517 . 1 1 46 46 LYS CE C 13 41.015 0.5 . 1 . . . . 46 LYS CE . 6780 1 518 . 1 1 46 46 LYS N N 15 116.364 0.5 . 1 . . . . 46 LYS N . 6780 1 519 . 1 1 47 47 ALA H H 1 7.208 0.05 . 1 . . . . 47 ALA HN . 6780 1 520 . 1 1 47 47 ALA HA H 1 4.304 0.05 . 1 . . . . 47 ALA HA . 6780 1 521 . 1 1 47 47 ALA HB1 H 1 1.534 0.05 . 1 . . . . 47 ALA HB . 6780 1 522 . 1 1 47 47 ALA HB2 H 1 1.534 0.05 . 1 . . . . 47 ALA HB . 6780 1 523 . 1 1 47 47 ALA HB3 H 1 1.534 0.05 . 1 . . . . 47 ALA HB . 6780 1 524 . 1 1 47 47 ALA C C 13 176.657 0.5 . 1 . . . . 47 ALA CO . 6780 1 525 . 1 1 47 47 ALA CA C 13 52.269 0.5 . 1 . . . . 47 ALA CA . 6780 1 526 . 1 1 47 47 ALA CB C 13 19.014 0.5 . 1 . . . . 47 ALA CB . 6780 1 527 . 1 1 47 47 ALA N N 15 118.329 0.5 . 1 . . . . 47 ALA N . 6780 1 528 . 1 1 48 48 ASP H H 1 7.24 0.05 . 1 . . . . 48 ASP HN . 6780 1 529 . 1 1 48 48 ASP CA C 13 50.9 0.5 . 1 . . . . 48 ASP CA . 6780 1 530 . 1 1 48 48 ASP CB C 13 41.61 0.5 . 1 . . . . 48 ASP CB . 6780 1 531 . 1 1 48 48 ASP N N 15 120.467 0.5 . 1 . . . . 48 ASP N . 6780 1 532 . 1 1 49 49 PRO HA H 1 4.636 0.05 . 1 . . . . 49 PRO HA . 6780 1 533 . 1 1 49 49 PRO HB2 H 1 2.396 0.05 . 2 . . . . 49 PRO HB2 . 6780 1 534 . 1 1 49 49 PRO HB3 H 1 2.101 0.05 . 2 . . . . 49 PRO HB3 . 6780 1 535 . 1 1 49 49 PRO HG2 H 1 2.089 0.05 . 1 . . . . 49 PRO HG2 . 6780 1 536 . 1 1 49 49 PRO HG3 H 1 2.089 0.05 . 1 . . . . 49 PRO HG3 . 6780 1 537 . 1 1 49 49 PRO HD2 H 1 3.962 0.05 . 1 . . . . 49 PRO HD2 . 6780 1 538 . 1 1 49 49 PRO HD3 H 1 3.962 0.05 . 1 . . . . 49 PRO HD3 . 6780 1 539 . 1 1 49 49 PRO C C 13 178.009 0.5 . 1 . . . . 49 PRO CO . 6780 1 540 . 1 1 49 49 PRO CA C 13 63.543 0.5 . 1 . . . . 49 PRO CA . 6780 1 541 . 1 1 49 49 PRO CB C 13 32.315 0.5 . 1 . . . . 49 PRO CB . 6780 1 542 . 1 1 49 49 PRO CG C 13 26.901 0.5 . 1 . . . . 49 PRO CG . 6780 1 543 . 1 1 49 49 PRO CD C 13 50.183 0.5 . 1 . . . . 49 PRO CD . 6780 1 544 . 1 1 50 50 ARG H H 1 8.408 0.05 . 1 . . . . 50 ARG HN . 6780 1 545 . 1 1 50 50 ARG HA H 1 4.268 0.05 . 1 . . . . 50 ARG HA . 6780 1 546 . 1 1 50 50 ARG HB2 H 1 1.861 0.05 . 1 . . . . 50 ARG HB2 . 6780 1 547 . 1 1 50 50 ARG HB3 H 1 1.861 0.05 . 1 . . . . 50 ARG HB3 . 6780 1 548 . 1 1 50 50 ARG HG2 H 1 1.611 0.05 . 1 . . . . 50 ARG HG2 . 6780 1 549 . 1 1 50 50 ARG HG3 H 1 1.611 0.05 . 1 . . . . 50 ARG HG3 . 6780 1 550 . 1 1 50 50 ARG HD2 H 1 3.277 0.05 . 1 . . . . 50 ARG HD2 . 6780 1 551 . 1 1 50 50 ARG HD3 H 1 3.277 0.05 . 1 . . . . 50 ARG HD3 . 6780 1 552 . 1 1 50 50 ARG C C 13 176.348 0.5 . 1 . . . . 50 ARG CO . 6780 1 553 . 1 1 50 50 ARG CA C 13 56.808 0.5 . 1 . . . . 50 ARG CA . 6780 1 554 . 1 1 50 50 ARG CB C 13 30.559 0.5 . 1 . . . . 50 ARG CB . 6780 1 555 . 1 1 50 50 ARG CG C 13 27.897 0.5 . 1 . . . . 50 ARG CG . 6780 1 556 . 1 1 50 50 ARG CD C 13 43.521 0.5 . 1 . . . . 50 ARG CD . 6780 1 557 . 1 1 50 50 ARG N N 15 117.401 0.5 . 1 . . . . 50 ARG N . 6780 1 558 . 1 1 51 51 LEU H H 1 7.343 0.05 . 1 . . . . 51 LEU HN . 6780 1 559 . 1 1 51 51 LEU HA H 1 4.411 0.05 . 1 . . . . 51 LEU HA . 6780 1 560 . 1 1 51 51 LEU HB2 H 1 1.911 0.05 . 2 . . . . 51 LEU HB2 . 6780 1 561 . 1 1 51 51 LEU HB3 H 1 0.943 0.05 . 2 . . . . 51 LEU HB3 . 6780 1 562 . 1 1 51 51 LEU HG H 1 1.555 0.05 . 1 . . . . 51 LEU HG . 6780 1 563 . 1 1 51 51 LEU HD11 H 1 0.464 0.05 . 1 . . . . 51 LEU HD13 . 6780 1 564 . 1 1 51 51 LEU HD12 H 1 0.464 0.05 . 1 . . . . 51 LEU HD13 . 6780 1 565 . 1 1 51 51 LEU HD13 H 1 0.464 0.05 . 1 . . . . 51 LEU HD13 . 6780 1 566 . 1 1 51 51 LEU HD21 H 1 0.464 0.05 . 1 . . . . 51 LEU HD23 . 6780 1 567 . 1 1 51 51 LEU HD22 H 1 0.464 0.05 . 1 . . . . 51 LEU HD23 . 6780 1 568 . 1 1 51 51 LEU HD23 H 1 0.464 0.05 . 1 . . . . 51 LEU HD23 . 6780 1 569 . 1 1 51 51 LEU C C 13 175.486 0.5 . 1 . . . . 51 LEU CO . 6780 1 570 . 1 1 51 51 LEU CA C 13 53.395 0.5 . 1 . . . . 51 LEU CA . 6780 1 571 . 1 1 51 51 LEU CB C 13 44.663 0.5 . 1 . . . . 51 LEU CB . 6780 1 572 . 1 1 51 51 LEU CG C 13 25.94 0.5 . 1 . . . . 51 LEU CG . 6780 1 573 . 1 1 51 51 LEU CD1 C 13 21.36 0.5 . 1 . . . . 51 LEU CD# . 6780 1 574 . 1 1 51 51 LEU CD2 C 13 21.36 0.5 . 1 . . . . 51 LEU CD# . 6780 1 575 . 1 1 51 51 LEU N N 15 118.016 0.5 . 1 . . . . 51 LEU N . 6780 1 576 . 1 1 52 52 VAL H H 1 6.831 0.05 . 1 . . . . 52 VAL HN . 6780 1 577 . 1 1 52 52 VAL HA H 1 4.345 0.05 . 1 . . . . 52 VAL HA . 6780 1 578 . 1 1 52 52 VAL HB H 1 1.956 0.05 . 1 . . . . 52 VAL HB . 6780 1 579 . 1 1 52 52 VAL HG11 H 1 0.904 0.05 . 1 . . . . 52 VAL HG13 . 6780 1 580 . 1 1 52 52 VAL HG12 H 1 0.904 0.05 . 1 . . . . 52 VAL HG13 . 6780 1 581 . 1 1 52 52 VAL HG13 H 1 0.904 0.05 . 1 . . . . 52 VAL HG13 . 6780 1 582 . 1 1 52 52 VAL HG21 H 1 0.904 0.05 . 1 . . . . 52 VAL HG23 . 6780 1 583 . 1 1 52 52 VAL HG22 H 1 0.904 0.05 . 1 . . . . 52 VAL HG23 . 6780 1 584 . 1 1 52 52 VAL HG23 H 1 0.904 0.05 . 1 . . . . 52 VAL HG23 . 6780 1 585 . 1 1 52 52 VAL C C 13 175.030 0.5 . 1 . . . . 52 VAL CO . 6780 1 586 . 1 1 52 52 VAL CA C 13 62.104 0.5 . 1 . . . . 52 VAL CA . 6780 1 587 . 1 1 52 52 VAL CB C 13 33.861 0.5 . 1 . . . . 52 VAL CB . 6780 1 588 . 1 1 52 52 VAL CG1 C 13 20.853 0.5 . 1 . . . . 52 VAL CG1 . 6780 1 589 . 1 1 52 52 VAL CG2 C 13 20.853 0.5 . 1 . . . . 52 VAL CG2 . 6780 1 590 . 1 1 52 52 VAL N N 15 119.322 0.5 . 1 . . . . 52 VAL N . 6780 1 591 . 1 1 53 53 VAL H H 1 8.926 0.05 . 1 . . . . 53 VAL HN . 6780 1 592 . 1 1 53 53 VAL HA H 1 4.656 0.05 . 1 . . . . 53 VAL HA . 6780 1 593 . 1 1 53 53 VAL HB H 1 1.917 0.05 . 1 . . . . 53 VAL HB . 6780 1 594 . 1 1 53 53 VAL HG11 H 1 0.707 0.05 . 1 . . . . 53 VAL HG13 . 6780 1 595 . 1 1 53 53 VAL HG12 H 1 0.707 0.05 . 1 . . . . 53 VAL HG13 . 6780 1 596 . 1 1 53 53 VAL HG13 H 1 0.707 0.05 . 1 . . . . 53 VAL HG13 . 6780 1 597 . 1 1 53 53 VAL HG21 H 1 0.707 0.05 . 1 . . . . 53 VAL HG23 . 6780 1 598 . 1 1 53 53 VAL HG22 H 1 0.707 0.05 . 1 . . . . 53 VAL HG23 . 6780 1 599 . 1 1 53 53 VAL HG23 H 1 0.707 0.05 . 1 . . . . 53 VAL HG23 . 6780 1 600 . 1 1 53 53 VAL C C 13 174.732 0.5 . 1 . . . . 53 VAL CO . 6780 1 601 . 1 1 53 53 VAL CA C 13 61.02 0.5 . 1 . . . . 53 VAL CA . 6780 1 602 . 1 1 53 53 VAL CB C 13 33.728 0.5 . 1 . . . . 53 VAL CB . 6780 1 603 . 1 1 53 53 VAL CG1 C 13 21.303 0.5 . 1 . . . . 53 VAL CG1 . 6780 1 604 . 1 1 53 53 VAL CG2 C 13 21.303 0.5 . 1 . . . . 53 VAL CG2 . 6780 1 605 . 1 1 53 53 VAL N N 15 128.643 0.5 . 1 . . . . 53 VAL N . 6780 1 606 . 1 1 54 54 GLN H H 1 8.915 0.05 . 1 . . . . 54 GLN HN . 6780 1 607 . 1 1 54 54 GLN HA H 1 4.732 0.05 . 1 . . . . 54 GLN HA . 6780 1 608 . 1 1 54 54 GLN HB2 H 1 1.989 0.05 . 1 . . . . 54 GLN HB2 . 6780 1 609 . 1 1 54 54 GLN HB3 H 1 1.989 0.05 . 1 . . . . 54 GLN HB3 . 6780 1 610 . 1 1 54 54 GLN HG2 H 1 2.227 0.05 . 1 . . . . 54 GLN HG2 . 6780 1 611 . 1 1 54 54 GLN HG3 H 1 2.227 0.05 . 1 . . . . 54 GLN HG3 . 6780 1 612 . 1 1 54 54 GLN HE21 H 1 6.894 0.05 . 2 . . . . 54 GLN HE21 . 6780 1 613 . 1 1 54 54 GLN HE22 H 1 7.551 0.05 . 2 . . . . 54 GLN HE22 . 6780 1 614 . 1 1 54 54 GLN C C 13 174.818 0.5 . 1 . . . . 54 GLN CO . 6780 1 615 . 1 1 54 54 GLN CA C 13 53.882 0.5 . 1 . . . . 54 GLN CA . 6780 1 616 . 1 1 54 54 GLN CB C 13 31.588 0.5 . 1 . . . . 54 GLN CB . 6780 1 617 . 1 1 54 54 GLN CG C 13 33.3 0.5 . 1 . . . . 54 GLN CG . 6780 1 618 . 1 1 54 54 GLN N N 15 127.154 0.5 . 1 . . . . 54 GLN N . 6780 1 619 . 1 1 54 54 GLN NE2 N 15 113.1 0.5 . 1 . . . . 54 GLN NE2 . 6780 1 620 . 1 1 55 55 ILE H H 1 8.746 0.05 . 1 . . . . 55 ILE HN . 6780 1 621 . 1 1 55 55 ILE HA H 1 4.469 0.05 . 1 . . . . 55 ILE HA . 6780 1 622 . 1 1 55 55 ILE HB H 1 1.849 0.05 . 1 . . . . 55 ILE HB# . 6780 1 623 . 1 1 55 55 ILE HG21 H 1 1.084 0.05 . 1 . . . . 55 ILE HG23 . 6780 1 624 . 1 1 55 55 ILE HG22 H 1 1.084 0.05 . 1 . . . . 55 ILE HG23 . 6780 1 625 . 1 1 55 55 ILE HG23 H 1 1.084 0.05 . 1 . . . . 55 ILE HG23 . 6780 1 626 . 1 1 55 55 ILE HD11 H 1 0.982 0.05 . 1 . . . . 55 ILE HD13 . 6780 1 627 . 1 1 55 55 ILE HD12 H 1 0.982 0.05 . 1 . . . . 55 ILE HD13 . 6780 1 628 . 1 1 55 55 ILE HD13 H 1 0.982 0.05 . 1 . . . . 55 ILE HD13 . 6780 1 629 . 1 1 55 55 ILE C C 13 176.413 0.5 . 1 . . . . 55 ILE CO . 6780 1 630 . 1 1 55 55 ILE CA C 13 61.479 0.5 . 1 . . . . 55 ILE CA . 6780 1 631 . 1 1 55 55 ILE CB C 13 38.884 0.5 . 1 . . . . 55 ILE CB . 6780 1 632 . 1 1 55 55 ILE CG1 C 13 28.179 0.5 . 1 . . . . 55 ILE CG1 . 6780 1 633 . 1 1 55 55 ILE CG2 C 13 18.204 0.5 . 1 . . . . 55 ILE CG2 . 6780 1 634 . 1 1 55 55 ILE CD1 C 13 13.93 0.5 . 1 . . . . 55 ILE CD1 . 6780 1 635 . 1 1 55 55 ILE N N 15 126.013 0.5 . 1 . . . . 55 ILE N . 6780 1 636 . 1 1 56 56 THR H H 1 8.759 0.05 . 1 . . . . 56 THR HN . 6780 1 637 . 1 1 56 56 THR HA H 1 4.724 0.05 . 1 . . . . 56 THR HA . 6780 1 638 . 1 1 56 56 THR HB H 1 4.151 0.05 . 1 . . . . 56 THR HB . 6780 1 639 . 1 1 56 56 THR HG21 H 1 1.168 0.05 . 1 . . . . 56 THR HG23 . 6780 1 640 . 1 1 56 56 THR HG22 H 1 1.168 0.05 . 1 . . . . 56 THR HG23 . 6780 1 641 . 1 1 56 56 THR HG23 H 1 1.168 0.05 . 1 . . . . 56 THR HG23 . 6780 1 642 . 1 1 56 56 THR C C 13 174.026 0.5 . 1 . . . . 56 THR CO . 6780 1 643 . 1 1 56 56 THR CA C 13 61.32 0.5 . 1 . . . . 56 THR CA . 6780 1 644 . 1 1 56 56 THR CB C 13 69.412 0.5 . 1 . . . . 56 THR CB . 6780 1 645 . 1 1 56 56 THR CG2 C 13 21.802 0.5 . 1 . . . . 56 THR CG2 . 6780 1 646 . 1 1 56 56 THR N N 15 123.236 0.5 . 1 . . . . 56 THR N . 6780 1 647 . 1 1 57 57 GLU H H 1 8.431 0.05 . 1 . . . . 57 GLU HN . 6780 1 648 . 1 1 57 57 GLU HA H 1 4.537 0.05 . 1 . . . . 57 GLU HA . 6780 1 649 . 1 1 57 57 GLU HB2 H 1 2.143 0.05 . 2 . . . . 57 GLU HB2 . 6780 1 650 . 1 1 57 57 GLU HB3 H 1 2.008 0.05 . 2 . . . . 57 GLU HB3 . 6780 1 651 . 1 1 57 57 GLU HG2 H 1 2.732 0.05 . 1 . . . . 57 GLU HG2 . 6780 1 652 . 1 1 57 57 GLU HG3 H 1 2.732 0.05 . 1 . . . . 57 GLU HG3 . 6780 1 653 . 1 1 57 57 GLU C C 13 176.306 0.5 . 1 . . . . 57 GLU CO . 6780 1 654 . 1 1 57 57 GLU CA C 13 56.201 0.5 . 1 . . . . 57 GLU CA . 6780 1 655 . 1 1 57 57 GLU CB C 13 31.272 0.5 . 1 . . . . 57 GLU CB . 6780 1 656 . 1 1 57 57 GLU CG C 13 36.331 0.5 . 1 . . . . 57 GLU CG . 6780 1 657 . 1 1 57 57 GLU N N 15 124.085 0.5 . 1 . . . . 57 GLU N . 6780 1 658 . 1 1 58 58 THR H H 1 8.391 0.05 . 1 . . . . 58 THR HN . 6780 1 659 . 1 1 58 58 THR HA H 1 4.407 0.05 . 1 . . . . 58 THR HA . 6780 1 660 . 1 1 58 58 THR HB H 1 4.277 0.05 . 1 . . . . 58 THR HB . 6780 1 661 . 1 1 58 58 THR HG21 H 1 1.271 0.05 . 1 . . . . 58 THR HG23 . 6780 1 662 . 1 1 58 58 THR HG22 H 1 1.271 0.05 . 1 . . . . 58 THR HG23 . 6780 1 663 . 1 1 58 58 THR HG23 H 1 1.271 0.05 . 1 . . . . 58 THR HG23 . 6780 1 664 . 1 1 58 58 THR C C 13 175.023 0.5 . 1 . . . . 58 THR CO . 6780 1 665 . 1 1 58 58 THR CA C 13 61.86 0.5 . 1 . . . . 58 THR CA . 6780 1 666 . 1 1 58 58 THR CB C 13 69.694 0.5 . 1 . . . . 58 THR CB . 6780 1 667 . 1 1 58 58 THR CG2 C 13 21.646 0.5 . 1 . . . . 58 THR CG2 . 6780 1 668 . 1 1 58 58 THR N N 15 116.424 0.5 . 1 . . . . 58 THR N . 6780 1 669 . 1 1 59 59 GLY H H 1 8.465 0.05 . 1 . . . . 59 GLY HN . 6780 1 670 . 1 1 59 59 GLY HA2 H 1 4.059 0.05 . 1 . . . . 59 GLY HA2 . 6780 1 671 . 1 1 59 59 GLY HA3 H 1 4.059 0.05 . 1 . . . . 59 GLY HA3 . 6780 1 672 . 1 1 59 59 GLY CA C 13 45.277 0.5 . 1 . . . . 59 GLY CA . 6780 1 673 . 1 1 59 59 GLY N N 15 112.213 0.5 . 1 . . . . 59 GLY N . 6780 1 674 . 1 1 60 60 SER H H 1 8.223 0.05 . 1 . . . . 60 SER HN . 6780 1 675 . 1 1 60 60 SER HA H 1 4.54 0.05 . 1 . . . . 60 SER HA . 6780 1 676 . 1 1 60 60 SER HB2 H 1 3.907 0.05 . 1 . . . . 60 SER HB2 . 6780 1 677 . 1 1 60 60 SER HB3 H 1 3.907 0.05 . 1 . . . . 60 SER HB3 . 6780 1 678 . 1 1 60 60 SER C C 13 174.640 0.5 . 1 . . . . 60 SER CO . 6780 1 679 . 1 1 60 60 SER CA C 13 58.187 0.5 . 1 . . . . 60 SER CA . 6780 1 680 . 1 1 60 60 SER CB C 13 63.807 0.5 . 1 . . . . 60 SER CB . 6780 1 681 . 1 1 60 60 SER N N 15 115.832 0.5 . 1 . . . . 60 SER N . 6780 1 682 . 1 1 61 61 GLN H H 1 8.528 0.05 . 1 . . . . 61 GLN HN . 6780 1 683 . 1 1 61 61 GLN HA H 1 4.443 0.05 . 1 . . . . 61 GLN HA . 6780 1 684 . 1 1 61 61 GLN HB2 H 1 2.212 0.05 . 2 . . . . 61 GLN HB2 . 6780 1 685 . 1 1 61 61 GLN HB3 H 1 2.016 0.05 . 2 . . . . 61 GLN HB3 . 6780 1 686 . 1 1 61 61 GLN HG2 H 1 2.388 0.05 . 1 . . . . 61 GLN HG2 . 6780 1 687 . 1 1 61 61 GLN HG3 H 1 2.388 0.05 . 1 . . . . 61 GLN HG3 . 6780 1 688 . 1 1 61 61 GLN C C 13 175.983 0.5 . 1 . . . . 61 GLN CO . 6780 1 689 . 1 1 61 61 GLN CA C 13 55.71 0.5 . 1 . . . . 61 GLN CA . 6780 1 690 . 1 1 61 61 GLN CB C 13 29.537 0.5 . 1 . . . . 61 GLN CB . 6780 1 691 . 1 1 61 61 GLN CG C 13 33.825 0.5 . 1 . . . . 61 GLN CG . 6780 1 692 . 1 1 61 61 GLN N N 15 122.553 0.5 . 1 . . . . 61 GLN N . 6780 1 693 . 1 1 62 62 GLU H H 1 8.462 0.05 . 1 . . . . 62 GLU HN . 6780 1 694 . 1 1 62 62 GLU HA H 1 4.353 0.05 . 1 . . . . 62 GLU HA . 6780 1 695 . 1 1 62 62 GLU HB2 H 1 2.054 0.05 . 1 . . . . 62 GLU HB2 . 6780 1 696 . 1 1 62 62 GLU HB3 H 1 2.054 0.05 . 1 . . . . 62 GLU HB3 . 6780 1 697 . 1 1 62 62 GLU HG2 H 1 2.293 0.05 . 1 . . . . 62 GLU HG2 . 6780 1 698 . 1 1 62 62 GLU HG3 H 1 2.293 0.05 . 1 . . . . 62 GLU HG3 . 6780 1 699 . 1 1 62 62 GLU C C 13 177.006 0.5 . 1 . . . . 62 GLU CO . 6780 1 700 . 1 1 62 62 GLU CA C 13 56.805 0.5 . 1 . . . . 62 GLU CA . 6780 1 701 . 1 1 62 62 GLU CB C 13 30.306 0.5 . 1 . . . . 62 GLU CB . 6780 1 702 . 1 1 62 62 GLU CG C 13 36.255 0.5 . 1 . . . . 62 GLU CG . 6780 1 703 . 1 1 62 62 GLU N N 15 122.593 0.5 . 1 . . . . 62 GLU N . 6780 1 704 . 1 1 63 63 GLY HA2 H 1 4.047 0.05 . 1 . . . . 63 GLY HA2 . 6780 1 705 . 1 1 63 63 GLY HA3 H 1 4.047 0.05 . 1 . . . . 63 GLY HA3 . 6780 1 706 . 1 1 63 63 GLY C C 13 174.741 0.5 . 1 . . . . 63 GLY CO . 6780 1 707 . 1 1 63 63 GLY CA C 13 45.381 0.5 . 1 . . . . 63 GLY CA . 6780 1 708 . 1 1 63 63 GLY H H 1 8.483 0.05 . 1 . . . . 63 GLN HN . 6780 1 709 . 1 1 63 63 GLY N N 15 110.451 0.5 . 1 . . . . 63 GLN N . 6780 1 710 . 1 1 64 64 GLY H H 1 8.258 0.05 . 1 . . . . 64 GLY HN . 6780 1 711 . 1 1 64 64 GLY HA2 H 1 4.039 0.05 . 1 . . . . 64 GLY HA2 . 6780 1 712 . 1 1 64 64 GLY HA3 H 1 4.039 0.05 . 1 . . . . 64 GLY HA3 . 6780 1 713 . 1 1 64 64 GLY C C 13 174.398 0.5 . 1 . . . . 64 GLY CO . 6780 1 714 . 1 1 64 64 GLY CA C 13 45.28 0.5 . 1 . . . . 64 GLY CA . 6780 1 715 . 1 1 64 64 GLY N N 15 108.992 0.5 . 1 . . . . 64 GLY N . 6780 1 716 . 1 1 65 65 GLU H H 1 8.46 0.05 . 1 . . . . 65 GLU HN . 6780 1 717 . 1 1 65 65 GLU HA H 1 4.338 0.05 . 1 . . . . 65 GLU HA . 6780 1 718 . 1 1 65 65 GLU HB2 H 1 2.082 0.05 . 1 . . . . 65 GLU HB2 . 6780 1 719 . 1 1 65 65 GLU HB3 H 1 2.082 0.05 . 1 . . . . 65 GLU HB3 . 6780 1 720 . 1 1 65 65 GLU HG2 H 1 2.3 0.05 . 1 . . . . 65 GLU HG2 . 6780 1 721 . 1 1 65 65 GLU HG3 H 1 2.3 0.05 . 1 . . . . 65 GLU HG3 . 6780 1 722 . 1 1 65 65 GLU C C 13 177.185 0.5 . 1 . . . . 65 GLU CO . 6780 1 723 . 1 1 65 65 GLU CA C 13 56.934 0.5 . 1 . . . . 65 GLU CA . 6780 1 724 . 1 1 65 65 GLU CB C 13 30.767 0.5 . 1 . . . . 65 GLU CB . 6780 1 725 . 1 1 65 65 GLU CG C 13 36.295 0.5 . 1 . . . . 65 GLU CG . 6780 1 726 . 1 1 65 65 GLU N N 15 120.951 0.5 . 1 . . . . 65 GLU N . 6780 1 727 . 1 1 66 66 GLY H H 1 8.469 0.05 . 1 . . . . 66 GLY HN . 6780 1 728 . 1 1 66 66 GLY HA2 H 1 3.996 0.05 . 1 . . . . 66 GLY HA2 . 6780 1 729 . 1 1 66 66 GLY HA3 H 1 3.996 0.05 . 1 . . . . 66 GLY HA3 . 6780 1 730 . 1 1 66 66 GLY C C 13 174.203 0.5 . 1 . . . . 66 GLY CO . 6780 1 731 . 1 1 66 66 GLY CA C 13 45.405 0.5 . 1 . . . . 66 GLY CA . 6780 1 732 . 1 1 66 66 GLY N N 15 109.856 0.5 . 1 . . . . 66 GLY N . 6780 1 733 . 1 1 67 67 LEU H H 1 8.005 0.05 . 1 . . . . 67 LEU HN . 6780 1 734 . 1 1 67 67 LEU HA H 1 4.434 0.05 . 1 . . . . 67 LEU HA . 6780 1 735 . 1 1 67 67 LEU HB2 H 1 1.659 0.05 . 1 . . . . 67 LEU HB2 . 6780 1 736 . 1 1 67 67 LEU HB3 H 1 1.659 0.05 . 1 . . . . 67 LEU HB3 . 6780 1 737 . 1 1 67 67 LEU HG H 1 1.664 0.05 . 1 . . . . 67 LEU HG . 6780 1 738 . 1 1 67 67 LEU HD11 H 1 0.939 0.05 . 1 . . . . 67 LEU HD13 . 6780 1 739 . 1 1 67 67 LEU HD12 H 1 0.939 0.05 . 1 . . . . 67 LEU HD13 . 6780 1 740 . 1 1 67 67 LEU HD13 H 1 0.939 0.05 . 1 . . . . 67 LEU HD13 . 6780 1 741 . 1 1 67 67 LEU HD21 H 1 0.939 0.05 . 1 . . . . 67 LEU HD23 . 6780 1 742 . 1 1 67 67 LEU HD22 H 1 0.939 0.05 . 1 . . . . 67 LEU HD23 . 6780 1 743 . 1 1 67 67 LEU HD23 H 1 0.939 0.05 . 1 . . . . 67 LEU HD23 . 6780 1 744 . 1 1 67 67 LEU C C 13 177.545 0.5 . 1 . . . . 67 LEU CO . 6780 1 745 . 1 1 67 67 LEU CA C 13 55.075 0.5 . 1 . . . . 67 LEU CA . 6780 1 746 . 1 1 67 67 LEU CB C 13 42.469 0.5 . 1 . . . . 67 LEU CB . 6780 1 747 . 1 1 67 67 LEU CG C 13 26.911 0.5 . 1 . . . . 67 LEU CG . 6780 1 748 . 1 1 67 67 LEU CD1 C 13 24.921 0.5 . 1 . . . . 67 LEU CD1 . 6780 1 749 . 1 1 67 67 LEU CD2 C 13 23.327 0.5 . 1 . . . . 67 LEU CD2 . 6780 1 750 . 1 1 67 67 LEU N N 15 121.705 0.5 . 1 . . . . 67 LEU N . 6780 1 751 . 1 1 68 68 SER H H 1 8.296 0.05 . 1 . . . . 68 SER HN . 6780 1 752 . 1 1 68 68 SER HA H 1 4.463 0.05 . 1 . . . . 68 SER HA . 6780 1 753 . 1 1 68 68 SER HB2 H 1 3.985 0.05 . 2 . . . . 68 SER HB2 . 6780 1 754 . 1 1 68 68 SER HB3 H 1 3.863 0.05 . 2 . . . . 68 SER HB3 . 6780 1 755 . 1 1 68 68 SER C C 13 174.399 0.5 . 1 . . . . 68 SER CO . 6780 1 756 . 1 1 68 68 SER CA C 13 58.147 0.5 . 1 . . . . 68 SER CA . 6780 1 757 . 1 1 68 68 SER CB C 13 63.53 0.5 . 1 . . . . 68 SER CB . 6780 1 758 . 1 1 68 68 SER N N 15 116.897 0.5 . 1 . . . . 68 SER N . 6780 1 759 . 1 1 69 69 LYS H H 1 8.307 0.05 . 1 . . . . 69 LYS HN . 6780 1 760 . 1 1 69 69 LYS HA H 1 4.44 0.05 . 1 . . . . 69 LYS HA . 6780 1 761 . 1 1 69 69 LYS HB2 H 1 1.928 0.05 . 1 . . . . 69 LYS HB2 . 6780 1 762 . 1 1 69 69 LYS HB3 H 1 1.928 0.05 . 1 . . . . 69 LYS HB3 . 6780 1 763 . 1 1 69 69 LYS HG2 H 1 1.576 0.05 . 1 . . . . 69 LYS HG2 . 6780 1 764 . 1 1 69 69 LYS HG3 H 1 1.576 0.05 . 1 . . . . 69 LYS HG3 . 6780 1 765 . 1 1 69 69 LYS C C 13 177.999 0.5 . 1 . . . . 69 LYS CO . 6780 1 766 . 1 1 69 69 LYS CA C 13 55.666 0.5 . 1 . . . . 69 LYS CA . 6780 1 767 . 1 1 69 69 LYS CB C 13 33.271 0.5 . 1 . . . . 69 LYS CB . 6780 1 768 . 1 1 69 69 LYS CG C 13 25.058 0.5 . 1 . . . . 69 LYS CG . 6780 1 769 . 1 1 69 69 LYS CD C 13 29.375 0.5 . 1 . . . . 69 LYS CD . 6780 1 770 . 1 1 69 69 LYS CE C 13 42.108 0.5 . 1 . . . . 69 LYS CE . 6780 1 771 . 1 1 69 69 LYS N N 15 123.752 0.5 . 1 . . . . 69 LYS N . 6780 1 772 . 1 1 70 70 GLU H H 1 8.916 0.05 . 1 . . . . 70 GLU HN . 6780 1 773 . 1 1 70 70 GLU CA C 13 55.677 0.5 . 1 . . . . 70 GLU CA . 6780 1 774 . 1 1 70 70 GLU N N 15 122.565 0.5 . 1 . . . . 70 GLU N . 6780 1 775 . 1 1 71 71 PRO HA H 1 4.5 0.05 . 1 . . . . 71 PRO HA . 6780 1 776 . 1 1 71 71 PRO HB2 H 1 2.37 0.05 . 2 . . . . 71 PRO HB2 . 6780 1 777 . 1 1 71 71 PRO HB3 H 1 1.987 0.05 . 2 . . . . 71 PRO HB3 . 6780 1 778 . 1 1 71 71 PRO HG2 H 1 1.999 0.05 . 1 . . . . 71 PRO HG2 . 6780 1 779 . 1 1 71 71 PRO HG3 H 1 1.999 0.05 . 1 . . . . 71 PRO HG3 . 6780 1 780 . 1 1 71 71 PRO HD2 H 1 3.95 0.05 . 1 . . . . 71 PRO HD2 . 6780 1 781 . 1 1 71 71 PRO HD3 H 1 3.95 0.05 . 1 . . . . 71 PRO HD3 . 6780 1 782 . 1 1 71 71 PRO C C 13 177.045 0.5 . 1 . . . . 71 PRO CO . 6780 1 783 . 1 1 71 71 PRO CA C 13 62.846 0.5 . 1 . . . . 71 PRO CA . 6780 1 784 . 1 1 71 71 PRO CB C 13 32.12 0.5 . 1 . . . . 71 PRO CB . 6780 1 785 . 1 1 71 71 PRO CG C 13 27.455 0.5 . 1 . . . . 71 PRO CG . 6780 1 786 . 1 1 71 71 PRO CD C 13 50.387 0.5 . 1 . . . . 71 PRO CD . 6780 1 787 . 1 1 72 72 ALA H H 1 8.474 0.05 . 1 . . . . 72 ALA HN . 6780 1 788 . 1 1 72 72 ALA HA H 1 4.386 0.05 . 1 . . . . 72 ALA HA . 6780 1 789 . 1 1 72 72 ALA HB1 H 1 1.458 0.05 . 1 . . . . 72 ALA HB . 6780 1 790 . 1 1 72 72 ALA HB2 H 1 1.458 0.05 . 1 . . . . 72 ALA HB . 6780 1 791 . 1 1 72 72 ALA HB3 H 1 1.458 0.05 . 1 . . . . 72 ALA HB . 6780 1 792 . 1 1 72 72 ALA C C 13 178.319 0.5 . 1 . . . . 72 ALA CO . 6780 1 793 . 1 1 72 72 ALA CA C 13 52.385 0.5 . 1 . . . . 72 ALA CA . 6780 1 794 . 1 1 72 72 ALA CB C 13 19.414 0.5 . 1 . . . . 72 ALA CB . 6780 1 795 . 1 1 72 72 ALA N N 15 125.256 0.5 . 1 . . . . 72 ALA N . 6780 1 796 . 1 1 73 73 GLY H H 1 8.391 0.05 . 1 . . . . 73 GLY HN . 6780 1 797 . 1 1 73 73 GLY HA2 H 1 4.074 0.05 . 1 . . . . 73 GLY HA2 . 6780 1 798 . 1 1 73 73 GLY HA3 H 1 4.074 0.05 . 1 . . . . 73 GLY HA3 . 6780 1 799 . 1 1 73 73 GLY CA C 13 45.316 0.5 . 1 . . . . 73 GLY CA . 6780 1 800 . 1 1 73 73 GLY N N 15 108.789 0.5 . 1 . . . . 73 GLY N . 6780 1 801 . 1 1 74 74 SER H H 1 8.224 0.05 . 1 . . . . 74 SER HN . 6780 1 802 . 1 1 74 74 SER HA H 1 4.486 0.05 . 1 . . . . 74 SER HA . 6780 1 803 . 1 1 74 74 SER HB2 H 1 3.96 0.05 . 1 . . . . 74 SER HB2 . 6780 1 804 . 1 1 74 74 SER HB3 H 1 3.96 0.05 . 1 . . . . 74 SER HB3 . 6780 1 805 . 1 1 74 74 SER CA C 13 58.419 0.5 . 1 . . . . 74 SER CA . 6780 1 806 . 1 1 74 74 SER CB C 13 63.902 0.5 . 1 . . . . 74 SER CB . 6780 1 807 . 1 1 74 74 SER N N 15 115.886 0.5 . 1 . . . . 74 SER N . 6780 1 808 . 1 1 75 75 ASP H H 1 8.487 0.05 . 1 . . . . 75 ASP HN . 6780 1 809 . 1 1 75 75 ASP HA H 1 4.638 0.05 . 1 . . . . 75 ASP HA . 6780 1 810 . 1 1 75 75 ASP HB2 H 1 2.722 0.05 . 1 . . . . 75 ASP HB2 . 6780 1 811 . 1 1 75 75 ASP HB3 H 1 2.722 0.05 . 1 . . . . 75 ASP HB3 . 6780 1 812 . 1 1 75 75 ASP CA C 13 54.86 0.5 . 1 . . . . 75 ASP CA . 6780 1 813 . 1 1 75 75 ASP CB C 13 40.879 0.5 . 1 . . . . 75 ASP CB . 6780 1 814 . 1 1 75 75 ASP N N 15 122.709 0.5 . 1 . . . . 75 ASP N . 6780 1 815 . 1 1 76 76 GLU H H 1 8.325 0.05 . 1 . . . . 76 GLU HN . 6780 1 816 . 1 1 76 76 GLU HA H 1 4.232 0.05 . 1 . . . . 76 GLU HA . 6780 1 817 . 1 1 76 76 GLU HB2 H 1 2.088 0.05 . 1 . . . . 76 GLU HB2 . 6780 1 818 . 1 1 76 76 GLU HB3 H 1 2.088 0.05 . 1 . . . . 76 GLU HB3 . 6780 1 819 . 1 1 76 76 GLU CA C 13 57.438 0.5 . 1 . . . . 76 GLU CA . 6780 1 820 . 1 1 76 76 GLU CB C 13 30.122 0.5 . 1 . . . . 76 GLU CB . 6780 1 821 . 1 1 76 76 GLU CG C 13 36.297 0.5 . 1 . . . . 76 GLU CG . 6780 1 822 . 1 1 76 76 GLU N N 15 121.403 0.5 . 1 . . . . 76 GLU N . 6780 1 823 . 1 1 77 77 GLN H H 1 8.281 0.05 . 1 . . . . 77 GLN HN . 6780 1 824 . 1 1 77 77 GLN HA H 1 4.322 0.05 . 1 . . . . 77 GLN HA . 6780 1 825 . 1 1 77 77 GLN HB2 H 1 2.124 0.05 . 1 . . . . 77 GLN HB2 . 6780 1 826 . 1 1 77 77 GLN HB3 H 1 2.124 0.05 . 1 . . . . 77 GLN HB3 . 6780 1 827 . 1 1 77 77 GLN HG2 H 1 2.44 0.05 . 1 . . . . 77 GLN HG2 . 6780 1 828 . 1 1 77 77 GLN HG3 H 1 2.44 0.05 . 1 . . . . 77 GLN HG3 . 6780 1 829 . 1 1 77 77 GLN HE21 H 1 6.734 0.05 . 2 . . . . 77 GLN HE21 . 6780 1 830 . 1 1 77 77 GLN CA C 13 56.282 0.5 . 1 . . . . 77 GLN CA . 6780 1 831 . 1 1 77 77 GLN CB C 13 28.994 0.5 . 1 . . . . 77 GLN CB . 6780 1 832 . 1 1 77 77 GLN CG C 13 34.018 0.5 . 1 . . . . 77 GLN CG . 6780 1 833 . 1 1 77 77 GLN N N 15 120.394 0.5 . 1 . . . . 77 GLN N . 6780 1 834 . 1 1 77 77 GLN NE2 N 15 107.612 0.5 . 1 . . . . 77 GLN NE2 . 6780 1 835 . 1 1 78 78 LYS H H 1 8.134 0.05 . 1 . . . . 78 LYS HN . 6780 1 836 . 1 1 78 78 LYS HA H 1 4.295 0.05 . 1 . . . . 78 LYS HA . 6780 1 837 . 1 1 78 78 LYS HB2 H 1 1.843 0.05 . 1 . . . . 78 LYS HB2 . 6780 1 838 . 1 1 78 78 LYS HB3 H 1 1.843 0.05 . 1 . . . . 78 LYS HB3 . 6780 1 839 . 1 1 78 78 LYS HG2 H 1 1.488 0.05 . 1 . . . . 78 LYS HG2 . 6780 1 840 . 1 1 78 78 LYS HG3 H 1 1.488 0.05 . 1 . . . . 78 LYS HG3 . 6780 1 841 . 1 1 78 78 LYS HD2 H 1 1.825 0.05 . 1 . . . . 78 LYS HD2 . 6780 1 842 . 1 1 78 78 LYS HD3 H 1 1.825 0.05 . 1 . . . . 78 LYS HD3 . 6780 1 843 . 1 1 78 78 LYS HE2 H 1 2.721 0.05 . 1 . . . . 78 LYS HE2 . 6780 1 844 . 1 1 78 78 LYS HE3 H 1 2.721 0.05 . 1 . . . . 78 LYS HE3 . 6780 1 845 . 1 1 78 78 LYS CA C 13 56.888 0.5 . 1 . . . . 78 LYS CA . 6780 1 846 . 1 1 78 78 LYS CB C 13 32.964 0.5 . 1 . . . . 78 LYS CB . 6780 1 847 . 1 1 78 78 LYS CG C 13 24.901 0.5 . 1 . . . . 78 LYS CG . 6780 1 848 . 1 1 78 78 LYS CD C 13 29.164 0.5 . 1 . . . . 78 LYS CD . 6780 1 849 . 1 1 78 78 LYS CE C 13 41.114 0.5 . 1 . . . . 78 LYS CE . 6780 1 850 . 1 1 78 78 LYS N N 15 122.075 0.5 . 1 . . . . 78 LYS N . 6780 1 851 . 1 1 79 79 GLN HA H 1 4.347 0.05 . 1 . . . . 79 GLN HA . 6780 1 852 . 1 1 79 79 GLN HB2 H 1 2.087 0.05 . 1 . . . . 79 GLN HB . 6780 1 853 . 1 1 79 79 GLN HB3 H 1 2.087 0.05 . 1 . . . . 79 GLN HB . 6780 1 854 . 1 1 79 79 GLN HG2 H 1 2.441 0.05 . 1 . . . . 79 GLN HG# . 6780 1 855 . 1 1 79 79 GLN HG3 H 1 2.441 0.05 . 1 . . . . 79 GLN HG# . 6780 1 856 . 1 1 79 79 GLN HE21 H 1 6.014 0.05 . 1 . . . . 79 GLN HE21 . 6780 1 857 . 1 1 79 79 GLN HE22 H 1 7.537 0.05 . 1 . . . . 79 GLN HE22 . 6780 1 858 . 1 1 79 79 GLN C C 13 175.910 0.5 . 1 . . . . 79 GLN CO . 6780 1 859 . 1 1 79 79 GLN CA C 13 55.709 0.5 . 1 . . . . 79 GLN CA . 6780 1 860 . 1 1 79 79 GLN CB C 13 29.348 0.5 . 1 . . . . 79 GLN CB . 6780 1 861 . 1 1 79 79 GLN CG C 13 33.788 0.5 . 1 . . . . 79 GLN CG . 6780 1 862 . 1 1 79 79 GLN N N 15 120.982 0.5 . 1 . . . . 79 GLN N . 6780 1 863 . 1 1 79 79 GLN NE2 N 15 111.895 0.5 . 1 . . . . 79 GLN NE2 . 6780 1 864 . 1 1 79 79 GLN H H 1 8.246 0.05 . 1 . . . . 79 ALA HN . 6780 1 865 . 1 1 80 80 LEU H H 1 8.174 0.05 . 1 . . . . 80 LEU HN . 6780 1 866 . 1 1 80 80 LEU HA H 1 4.371 0.05 . 1 . . . . 80 LEU HA . 6780 1 867 . 1 1 80 80 LEU HB2 H 1 1.719 0.05 . 2 . . . . 80 LEU HB2 . 6780 1 868 . 1 1 80 80 LEU HB3 H 1 1.593 0.05 . 2 . . . . 80 LEU HB3 . 6780 1 869 . 1 1 80 80 LEU HG H 1 0.972 0.05 . 1 . . . . 80 LEU HG . 6780 1 870 . 1 1 80 80 LEU C C 13 177.117 0.5 . 1 . . . . 80 LEU CO . 6780 1 871 . 1 1 80 80 LEU CA C 13 52.675 0.5 . 1 . . . . 80 LEU CA . 6780 1 872 . 1 1 80 80 LEU CB C 13 42.259 0.5 . 1 . . . . 80 LEU CB . 6780 1 873 . 1 1 80 80 LEU CG C 13 27.081 0.5 . 1 . . . . 80 LEU CG . 6780 1 874 . 1 1 80 80 LEU CD1 C 13 24.856 0.5 . 1 . . . . 80 LEU CD1 . 6780 1 875 . 1 1 80 80 LEU CD2 C 13 23.404 0.5 . 1 . . . . 80 LEU CD2 . 6780 1 876 . 1 1 80 80 LEU N N 15 123.743 0.5 . 1 . . . . 80 LEU N . 6780 1 877 . 1 1 81 81 ARG H H 1 8.208 0.05 . 1 . . . . 81 ARG HN . 6780 1 878 . 1 1 81 81 ARG HA H 1 4.386 0.05 . 1 . . . . 81 ARG HA . 6780 1 879 . 1 1 81 81 ARG HB2 H 1 1.85 0.05 . 1 . . . . 81 ARG HB2 . 6780 1 880 . 1 1 81 81 ARG HB3 H 1 1.85 0.05 . 1 . . . . 81 ARG HB3 . 6780 1 881 . 1 1 81 81 ARG HG2 H 1 1.79 0.05 . 1 . . . . 81 ARG HG2 . 6780 1 882 . 1 1 81 81 ARG HG3 H 1 1.79 0.05 . 1 . . . . 81 ARG HG3 . 6780 1 883 . 1 1 81 81 ARG HD2 H 1 3.27 0.05 . 1 . . . . 81 ARG HD2 . 6780 1 884 . 1 1 81 81 ARG HD3 H 1 3.27 0.05 . 1 . . . . 81 ARG HD3 . 6780 1 885 . 1 1 81 81 ARG C C 13 175.520 0.5 . 1 . . . . 81 ARG CO . 6780 1 886 . 1 1 81 81 ARG CA C 13 55.637 0.5 . 1 . . . . 81 ARG CA . 6780 1 887 . 1 1 81 81 ARG CB C 13 31.059 0.5 . 1 . . . . 81 ARG CB . 6780 1 888 . 1 1 81 81 ARG CG C 13 26.977 0.5 . 1 . . . . 81 ARG CG . 6780 1 889 . 1 1 81 81 ARG CD C 13 43.397 0.5 . 1 . . . . 81 ARG CD . 6780 1 890 . 1 1 81 81 ARG N N 15 122.307 0.5 . 1 . . . . 81 ARG N . 6780 1 891 . 1 1 82 82 ALA H H 1 8.28 0.05 . 1 . . . . 82 ALA HN . 6780 1 892 . 1 1 82 82 ALA HA H 1 4.302 0.05 . 1 . . . . 82 ALA HA . 6780 1 893 . 1 1 82 82 ALA HB1 H 1 1.374 0.05 . 1 . . . . 82 ALA HB . 6780 1 894 . 1 1 82 82 ALA HB2 H 1 1.374 0.05 . 1 . . . . 82 ALA HB . 6780 1 895 . 1 1 82 82 ALA HB3 H 1 1.374 0.05 . 1 . . . . 82 ALA HB . 6780 1 896 . 1 1 82 82 ALA C C 13 175.788 0.5 . 1 . . . . 82 ALA CO . 6780 1 897 . 1 1 82 82 ALA CA C 13 52.092 0.5 . 1 . . . . 82 ALA CA . 6780 1 898 . 1 1 82 82 ALA CB C 13 19.581 0.5 . 1 . . . . 82 ALA CB . 6780 1 899 . 1 1 82 82 ALA N N 15 126.24 0.5 . 1 . . . . 82 ALA N . 6780 1 900 . 1 1 83 83 ASP H H 1 7.945 0.05 . 1 . . . . 83 ASP HN . 6780 1 901 . 1 1 83 83 ASP CA C 13 51.362 0.5 . 1 . . . . 83 ASP CA . 6780 1 902 . 1 1 83 83 ASP CB C 13 43.428 0.5 . 1 . . . . 83 ASP CB . 6780 1 903 . 1 1 83 83 ASP N N 15 112.959 0.5 . 1 . . . . 83 ASP N . 6780 1 904 . 1 1 84 84 PRO HA H 1 4.51 0.05 . 1 . . . . 84 PRO HA . 6780 1 905 . 1 1 84 84 PRO CA C 13 62.687 0.5 . 1 . . . . 84 PRO CA . 6780 1 906 . 1 1 85 85 PRO CB C 13 32.045 0.5 . 1 . . . . 85 PRO CB . 6780 1 907 . 1 1 85 85 PRO CD C 13 50.271 0.5 . 1 . . . . 85 PRO CD . 6780 1 908 . 1 1 85 85 PRO CG C 13 27.377 0.5 . 1 . . . . 85 PRO CG . 6780 1 909 . 1 1 85 85 PRO C C 13 176.885 0.5 . 1 . . . . 85 PRO CO . 6780 1 910 . 1 1 85 85 PRO HA H 1 4.51 0.05 . 1 . . . . 85 PRO HA . 6780 1 911 . 1 1 85 85 PRO HB2 H 1 2.33 0.05 . 2 . . . . 85 PRO HB2 . 6780 1 912 . 1 1 85 85 PRO HB3 H 1 1.968 0.05 . 2 . . . . 85 PRO HB3 . 6780 1 913 . 1 1 85 85 PRO HG2 H 1 2.007 0.05 . 1 . . . . 85 PRO HG2 . 6780 1 914 . 1 1 85 85 PRO HG3 H 1 2.007 0.05 . 1 . . . . 85 PRO HG3 . 6780 1 915 . 1 1 85 85 PRO HD2 H 1 4.11 0.05 . 1 . . . . 85 PRO HD2 . 6780 1 916 . 1 1 85 85 PRO HD3 H 1 4.11 0.05 . 1 . . . . 85 PRO HD3 . 6780 1 917 . 1 1 85 85 PRO CA C 13 62.687 0.5 . 1 . . . . 85 PRO CA . 6780 1 918 . 1 1 86 86 SER H H 1 8.362 0.05 . 1 . . . . 86 SER HN . 6780 1 919 . 1 1 86 86 SER HA H 1 4.466 0.05 . 1 . . . . 86 SER HA . 6780 1 920 . 1 1 86 86 SER HB2 H 1 3.956 0.05 . 2 . . . . 86 SER HB2 . 6780 1 921 . 1 1 86 86 SER HB3 H 1 3.81 0.05 . 2 . . . . 86 SER HB3 . 6780 1 922 . 1 1 86 86 SER C C 13 174.773 0.5 . 1 . . . . 86 SER CO . 6780 1 923 . 1 1 86 86 SER CA C 13 58.215 0.5 . 1 . . . . 86 SER CA . 6780 1 924 . 1 1 86 86 SER CB C 13 63.55 0.5 . 1 . . . . 86 SER CB . 6780 1 925 . 1 1 86 86 SER N N 15 116.098 0.5 . 1 . . . . 86 SER N . 6780 1 926 . 1 1 87 87 THR H H 1 8.08 0.05 . 1 . . . . 87 THR HN . 6780 1 927 . 1 1 87 87 THR HA H 1 4.239 0.05 . 1 . . . . 87 THR HA . 6780 1 928 . 1 1 87 87 THR HB H 1 3.91 0.05 . 1 . . . . 87 THR HB . 6780 1 929 . 1 1 87 87 THR HG21 H 1 1.168 0.05 . 1 . . . . 87 THR HG23 . 6780 1 930 . 1 1 87 87 THR HG22 H 1 1.168 0.05 . 1 . . . . 87 THR HG23 . 6780 1 931 . 1 1 87 87 THR HG23 H 1 1.168 0.05 . 1 . . . . 87 THR HG23 . 6780 1 932 . 1 1 87 87 THR C C 13 173.841 0.5 . 1 . . . . 87 THR CO . 6780 1 933 . 1 1 87 87 THR CA C 13 62.054 0.5 . 1 . . . . 87 THR CA . 6780 1 934 . 1 1 87 87 THR CB C 13 69.565 0.5 . 1 . . . . 87 THR CB . 6780 1 935 . 1 1 87 87 THR CG2 C 13 21.737 0.5 . 1 . . . . 87 THR CG2 . 6780 1 936 . 1 1 87 87 THR N N 15 116.438 0.5 . 1 . . . . 87 THR N . 6780 1 937 . 1 1 88 88 ASP H H 1 8.277 0.05 . 1 . . . . 88 ASP HN . 6780 1 938 . 1 1 88 88 ASP HA H 1 4.627 0.05 . 1 . . . . 88 ASP HA . 6780 1 939 . 1 1 88 88 ASP HB2 H 1 2.779 0.05 . 2 . . . . 88 ASP HB2 . 6780 1 940 . 1 1 88 88 ASP HB3 H 1 2.641 0.05 . 2 . . . . 88 ASP HB3 . 6780 1 941 . 1 1 88 88 ASP C C 13 177.154 0.5 . 1 . . . . 88 ASP CO . 6780 1 942 . 1 1 88 88 ASP CA C 13 53.551 0.5 . 1 . . . . 88 ASP CA . 6780 1 943 . 1 1 88 88 ASP CB C 13 41.026 0.5 . 1 . . . . 88 ASP CB . 6780 1 944 . 1 1 88 88 ASP N N 15 123.702 0.5 . 1 . . . . 88 ASP N . 6780 1 945 . 1 1 89 89 LEU H H 1 8.502 0.05 . 1 . . . . 89 LEU HN . 6780 1 946 . 1 1 89 89 LEU HA H 1 3.809 0.05 . 1 . . . . 89 LEU HA . 6780 1 947 . 1 1 89 89 LEU HB2 H 1 1.571 0.05 . 2 . . . . 89 LEU HB2 . 6780 1 948 . 1 1 89 89 LEU HB3 H 1 1.227 0.05 . 2 . . . . 89 LEU HB3 . 6780 1 949 . 1 1 89 89 LEU HG H 1 1.603 0.05 . 1 . . . . 89 LEU HG . 6780 1 950 . 1 1 89 89 LEU HD11 H 1 0.483 0.05 . 1 . . . . 89 LEU HD13 . 6780 1 951 . 1 1 89 89 LEU HD12 H 1 0.483 0.05 . 1 . . . . 89 LEU HD13 . 6780 1 952 . 1 1 89 89 LEU HD13 H 1 0.483 0.05 . 1 . . . . 89 LEU HD13 . 6780 1 953 . 1 1 89 89 LEU HD21 H 1 0.183 0.05 . 1 . . . . 89 LEU HD23 . 6780 1 954 . 1 1 89 89 LEU HD22 H 1 0.183 0.05 . 1 . . . . 89 LEU HD23 . 6780 1 955 . 1 1 89 89 LEU HD23 H 1 0.183 0.05 . 1 . . . . 89 LEU HD23 . 6780 1 956 . 1 1 89 89 LEU C C 13 177.589 0.5 . 1 . . . . 89 LEU CO . 6780 1 957 . 1 1 89 89 LEU CA C 13 57.201 0.5 . 1 . . . . 89 LEU CA . 6780 1 958 . 1 1 89 89 LEU CB C 13 42.056 0.5 . 1 . . . . 89 LEU CB . 6780 1 959 . 1 1 89 89 LEU CG C 13 26.098 0.5 . 1 . . . . 89 LEU CG . 6780 1 960 . 1 1 89 89 LEU CD1 C 13 21.958 0.5 . 1 . . . . 89 LEU CD# . 6780 1 961 . 1 1 89 89 LEU CD2 C 13 21.958 0.5 . 1 . . . . 89 LEU CD# . 6780 1 962 . 1 1 89 89 LEU N N 15 126.91 0.5 . 1 . . . . 89 LEU N . 6780 1 963 . 1 1 90 90 ASN H H 1 8.198 0.05 . 1 . . . . 90 ASN HN . 6780 1 964 . 1 1 90 90 ASN HA H 1 4.357 0.05 . 1 . . . . 90 ASN HA . 6780 1 965 . 1 1 90 90 ASN HB2 H 1 2.876 0.05 . 2 . . . . 90 ASN HB2 . 6780 1 966 . 1 1 90 90 ASN HB3 H 1 2.728 0.05 . 2 . . . . 90 ASN HB3 . 6780 1 967 . 1 1 90 90 ASN HD21 H 1 6.703 0.05 . 2 . . . . 90 ASN HD21 . 6780 1 968 . 1 1 90 90 ASN HD22 H 1 7.498 0.05 . 2 . . . . 90 ASN HD22 . 6780 1 969 . 1 1 90 90 ASN C C 13 176.908 0.5 . 1 . . . . 90 ASN CO . 6780 1 970 . 1 1 90 90 ASN CA C 13 55.616 0.5 . 1 . . . . 90 ASN CA . 6780 1 971 . 1 1 90 90 ASN CB C 13 38.833 0.5 . 1 . . . . 90 ASN CB . 6780 1 972 . 1 1 90 90 ASN N N 15 113.262 0.5 . 1 . . . . 90 ASN N . 6780 1 973 . 1 1 90 90 ASN ND2 N 15 113.101 0.5 . 1 . . . . 90 ASN ND2 . 6780 1 974 . 1 1 91 91 THR H H 1 7.745 0.05 . 1 . . . . 91 THR HN . 6780 1 975 . 1 1 91 91 THR HA H 1 4.21 0.05 . 1 . . . . 91 THR HA . 6780 1 976 . 1 1 91 91 THR HB H 1 4.201 0.05 . 1 . . . . 91 THR HB . 6780 1 977 . 1 1 91 91 THR HG21 H 1 1.177 0.05 . 1 . . . . 91 THR HG23 . 6780 1 978 . 1 1 91 91 THR HG22 H 1 1.177 0.05 . 1 . . . . 91 THR HG23 . 6780 1 979 . 1 1 91 91 THR HG23 H 1 1.177 0.05 . 1 . . . . 91 THR HG23 . 6780 1 980 . 1 1 91 91 THR C C 13 174.818 0.5 . 1 . . . . 91 THR CO . 6780 1 981 . 1 1 91 91 THR CA C 13 62.811 0.5 . 1 . . . . 91 THR CA . 6780 1 982 . 1 1 91 91 THR CB C 13 69.6 0.5 . 1 . . . . 91 THR CB . 6780 1 983 . 1 1 91 91 THR CG2 C 13 21.493 0.5 . 1 . . . . 91 THR CG2 . 6780 1 984 . 1 1 91 91 THR N N 15 110.203 0.5 . 1 . . . . 91 THR N . 6780 1 985 . 1 1 92 92 PHE H H 1 7.263 0.05 . 1 . . . . 92 PHE HN . 6780 1 986 . 1 1 92 92 PHE HA H 1 4.843 0.05 . 1 . . . . 92 PHE HA . 6780 1 987 . 1 1 92 92 PHE HB2 H 1 3.262 0.05 . 2 . . . . 92 PHE HB2 . 6780 1 988 . 1 1 92 92 PHE HB3 H 1 3.098 0.05 . 2 . . . . 92 PHE HB3 . 6780 1 989 . 1 1 92 92 PHE HD1 H 1 7.165 0.05 . 1 . . . . 92 PHE HD2 . 6780 1 990 . 1 1 92 92 PHE HD2 H 1 7.165 0.05 . 1 . . . . 92 PHE HD3 . 6780 1 991 . 1 1 92 92 PHE HE1 H 1 7.12 0.05 . 1 . . . . 92 PHE HE2 . 6780 1 992 . 1 1 92 92 PHE HE2 H 1 7.12 0.05 . 1 . . . . 92 PHE HE3 . 6780 1 993 . 1 1 92 92 PHE C C 13 176.259 0.5 . 1 . . . . 92 PHE CO . 6780 1 994 . 1 1 92 92 PHE CA C 13 52.766 0.5 . 1 . . . . 92 PHE CA . 6780 1 995 . 1 1 92 92 PHE CB C 13 42.15 0.5 . 1 . . . . 92 PHE CB . 6780 1 996 . 1 1 92 92 PHE CD1 C 13 126.405 0.5 . 1 . . . . 92 PHE CD# . 6780 1 997 . 1 1 92 92 PHE CD2 C 13 126.405 0.5 . 1 . . . . 92 PHE CD# . 6780 1 998 . 1 1 92 92 PHE CE1 C 13 125.402 0.5 . 1 . . . . 92 PHE CE# . 6780 1 999 . 1 1 92 92 PHE CE2 C 13 125.402 0.5 . 1 . . . . 92 PHE CE# . 6780 1 1000 . 1 1 92 92 PHE N N 15 122.594 0.5 . 1 . . . . 92 PHE N . 6780 1 1001 . 1 1 93 93 THR H H 1 8.652 0.05 . 1 . . . . 93 THR HN . 6780 1 1002 . 1 1 93 93 THR HA H 1 4.865 0.05 . 1 . . . . 93 THR HA . 6780 1 1003 . 1 1 93 93 THR HB H 1 4.591 0.05 . 1 . . . . 93 THR HB . 6780 1 1004 . 1 1 93 93 THR HG21 H 1 1.422 0.05 . 1 . . . . 93 THR HG23 . 6780 1 1005 . 1 1 93 93 THR HG22 H 1 1.422 0.05 . 1 . . . . 93 THR HG23 . 6780 1 1006 . 1 1 93 93 THR HG23 H 1 1.422 0.05 . 1 . . . . 93 THR HG23 . 6780 1 1007 . 1 1 93 93 THR C C 13 176.229 0.5 . 1 . . . . 93 THR CO . 6780 1 1008 . 1 1 93 93 THR CA C 13 60.197 0.5 . 1 . . . . 93 THR CA . 6780 1 1009 . 1 1 93 93 THR CB C 13 71.164 0.5 . 1 . . . . 93 THR CB . 6780 1 1010 . 1 1 93 93 THR CG2 C 13 21.891 0.5 . 1 . . . . 93 THR CG2 . 6780 1 1011 . 1 1 93 93 THR N N 15 110.08 0.5 . 1 . . . . 93 THR N . 6780 1 1012 . 1 1 94 94 VAL H H 1 8.878 0.05 . 1 . . . . 94 VAL HN . 6780 1 1013 . 1 1 94 94 VAL HA H 1 3.618 0.05 . 1 . . . . 94 VAL HA . 6780 1 1014 . 1 1 94 94 VAL HB H 1 2.129 0.05 . 1 . . . . 94 VAL HB . 6780 1 1015 . 1 1 94 94 VAL HG11 H 1 1.08 0.05 . 1 . . . . 94 VAL HG13 . 6780 1 1016 . 1 1 94 94 VAL HG12 H 1 1.08 0.05 . 1 . . . . 94 VAL HG13 . 6780 1 1017 . 1 1 94 94 VAL HG13 H 1 1.08 0.05 . 1 . . . . 94 VAL HG13 . 6780 1 1018 . 1 1 94 94 VAL HG21 H 1 1.08 0.05 . 1 . . . . 94 VAL HG23 . 6780 1 1019 . 1 1 94 94 VAL HG22 H 1 1.08 0.05 . 1 . . . . 94 VAL HG23 . 6780 1 1020 . 1 1 94 94 VAL HG23 H 1 1.08 0.05 . 1 . . . . 94 VAL HG23 . 6780 1 1021 . 1 1 94 94 VAL C C 13 177.391 0.5 . 1 . . . . 94 VAL CO . 6780 1 1022 . 1 1 94 94 VAL CA C 13 67.602 0.5 . 1 . . . . 94 VAL CA . 6780 1 1023 . 1 1 94 94 VAL CB C 13 31.742 5 . 1 . . . . 94 VAL CB . 6780 1 1024 . 1 1 94 94 VAL CG1 C 13 23.047 0.5 . 1 . . . . 94 VAL CG1 . 6780 1 1025 . 1 1 94 94 VAL CG2 C 13 21.227 0.5 . 1 . . . . 94 VAL CG2 . 6780 1 1026 . 1 1 94 94 VAL N N 15 119.926 0.5 . 1 . . . . 94 VAL N . 6780 1 1027 . 1 1 95 95 GLU H H 1 8.567 0.05 . 1 . . . . 95 GLU HN . 6780 1 1028 . 1 1 95 95 GLU HA H 1 3.938 0.05 . 1 . . . . 95 GLU HA . 6780 1 1029 . 1 1 95 95 GLU HB2 H 1 2.077 0.05 . 1 . . . . 95 GLU HB2 . 6780 1 1030 . 1 1 95 95 GLU HB3 H 1 2.077 0.05 . 1 . . . . 95 GLU HB3 . 6780 1 1031 . 1 1 95 95 GLU HG2 H 1 2.455 0.05 . 1 . . . . 95 GLU HG2 . 6780 1 1032 . 1 1 95 95 GLU HG3 H 1 2.455 0.05 . 1 . . . . 95 GLU HG3 . 6780 1 1033 . 1 1 95 95 GLU C C 13 179.906 0.5 . 1 . . . . 95 GLU CO . 6780 1 1034 . 1 1 95 95 GLU CA C 13 60.776 0.5 . 1 . . . . 95 GLU CA . 6780 1 1035 . 1 1 95 95 GLU CB C 13 35.316 0.5 . 1 . . . . 95 GLU CB . 6780 1 1036 . 1 1 95 95 GLU CG C 13 37.137 0.5 . 1 . . . . 95 GLU CG . 6780 1 1037 . 1 1 95 95 GLU N N 15 118.413 0.5 . 1 . . . . 95 GLU N . 6780 1 1038 . 1 1 96 96 GLN H H 1 7.837 0.05 . 1 . . . . 96 GLN HN . 6780 1 1039 . 1 1 96 96 GLN HA H 1 4.123 0.05 . 1 . . . . 96 GLN HA . 6780 1 1040 . 1 1 96 96 GLN HB2 H 1 2.546 0.05 . 2 . . . . 96 GLN HB2 . 6780 1 1041 . 1 1 96 96 GLN HB3 H 1 1.935 0.05 . 2 . . . . 96 GLN HB3 . 6780 1 1042 . 1 1 96 96 GLN HG2 H 1 2.512 0.05 . 1 . . . . 96 GLN HG2 . 6780 1 1043 . 1 1 96 96 GLN HG3 H 1 2.512 0.05 . 1 . . . . 96 GLN HG3 . 6780 1 1044 . 1 1 96 96 GLN HE21 H 1 7.184 0.05 . 2 . . . . 96 GLN HE21 . 6780 1 1045 . 1 1 96 96 GLN HE22 H 1 6.696 0.05 . 2 . . . . 96 GLN HE22 . 6780 1 1046 . 1 1 96 96 GLN C C 13 179.350 0.5 . 1 . . . . 96 GLN CO . 6780 1 1047 . 1 1 96 96 GLN CA C 13 58.945 0.5 . 1 . . . . 96 GLN CA . 6780 1 1048 . 1 1 96 96 GLN CB C 13 28.861 0.5 . 1 . . . . 96 GLN CB . 6780 1 1049 . 1 1 96 96 GLN CG C 13 34.685 0.5 . 1 . . . . 96 GLN CG . 6780 1 1050 . 1 1 96 96 GLN N N 15 120.613 0.5 . 1 . . . . 96 GLN N . 6780 1 1051 . 1 1 96 96 GLN NE2 N 15 110.144 0.5 . 1 . . . . 96 GLN NE2 . 6780 1 1052 . 1 1 97 97 LEU H H 1 8.452 0.05 . 1 . . . . 97 LEU HN . 6780 1 1053 . 1 1 97 97 LEU HA H 1 3.982 0.05 . 1 . . . . 97 LEU HA . 6780 1 1054 . 1 1 97 97 LEU HB2 H 1 2.123 0.05 . 2 . . . . 97 LEU HB2 . 6780 1 1055 . 1 1 97 97 LEU HB3 H 1 1.259 0.05 . 2 . . . . 97 LEU HB3 . 6780 1 1056 . 1 1 97 97 LEU HG H 1 1.611 0.05 . 1 . . . . 97 LEU HG . 6780 1 1057 . 1 1 97 97 LEU HD11 H 1 0.874 0.05 . 1 . . . . 97 LEU HD13 . 6780 1 1058 . 1 1 97 97 LEU HD12 H 1 0.874 0.05 . 1 . . . . 97 LEU HD13 . 6780 1 1059 . 1 1 97 97 LEU HD13 H 1 0.874 0.05 . 1 . . . . 97 LEU HD13 . 6780 1 1060 . 1 1 97 97 LEU HD21 H 1 0.874 0.05 . 1 . . . . 97 LEU HD23 . 6780 1 1061 . 1 1 97 97 LEU HD22 H 1 0.874 0.05 . 1 . . . . 97 LEU HD23 . 6780 1 1062 . 1 1 97 97 LEU HD23 H 1 0.874 0.05 . 1 . . . . 97 LEU HD23 . 6780 1 1063 . 1 1 97 97 LEU C C 13 178.839 0.5 . 1 . . . . 97 LEU CO . 6780 1 1064 . 1 1 97 97 LEU CA C 13 58.48 0.5 . 1 . . . . 97 LEU CA . 6780 1 1065 . 1 1 97 97 LEU CB C 13 42.675 0.5 . 1 . . . . 97 LEU CB . 6780 1 1066 . 1 1 97 97 LEU CG C 13 27.115 0.5 . 1 . . . . 97 LEU CG . 6780 1 1067 . 1 1 97 97 LEU CD1 C 13 24.288 0.5 . 1 . . . . 97 LEU CD1 . 6780 1 1068 . 1 1 97 97 LEU CD2 C 13 24.288 0.5 . 1 . . . . 97 LEU CD2 . 6780 1 1069 . 1 1 97 97 LEU N N 15 121.365 0.5 . 1 . . . . 97 LEU N . 6780 1 1070 . 1 1 98 98 LYS H H 1 8.367 0.05 . 1 . . . . 98 LYS HN . 6780 1 1071 . 1 1 98 98 LYS HA H 1 3.294 0.05 . 1 . . . . 98 LYS HA . 6780 1 1072 . 1 1 98 98 LYS HB2 H 1 1.815 0.05 . 1 . . . . 98 LYS HB2 . 6780 1 1073 . 1 1 98 98 LYS HB3 H 1 1.815 0.05 . 1 . . . . 98 LYS HB3 . 6780 1 1074 . 1 1 98 98 LYS HG2 H 1 1.513 0.05 . 1 . . . . 98 LYS HG2 . 6780 1 1075 . 1 1 98 98 LYS HG3 H 1 1.513 0.05 . 1 . . . . 98 LYS HG3 . 6780 1 1076 . 1 1 98 98 LYS HD2 H 1 1.824 0.05 . 1 . . . . 98 LYS HD2 . 6780 1 1077 . 1 1 98 98 LYS HD3 H 1 1.824 0.05 . 1 . . . . 98 LYS HD3 . 6780 1 1078 . 1 1 98 98 LYS HE2 H 1 2.856 0.05 . 2 . . . . 98 LYS HE2 . 6780 1 1079 . 1 1 98 98 LYS HE3 H 1 2.75 0.05 . 2 . . . . 98 LYS HE3 . 6780 1 1080 . 1 1 98 98 LYS C C 13 178.981 0.5 . 1 . . . . 98 LYS CO . 6780 1 1081 . 1 1 98 98 LYS CA C 13 60.492 0.5 . 1 . . . . 98 LYS CA . 6780 1 1082 . 1 1 98 98 LYS CB C 13 32.928 0.5 . 1 . . . . 98 LYS CB . 6780 1 1083 . 1 1 98 98 LYS CG C 13 26.942 0.5 . 1 . . . . 98 LYS CG . 6780 1 1084 . 1 1 98 98 LYS CD C 13 30.282 0.5 . 1 . . . . 98 LYS CD . 6780 1 1085 . 1 1 98 98 LYS CE C 13 41.032 0.5 . 1 . . . . 98 LYS CE . 6780 1 1086 . 1 1 98 98 LYS N N 15 117.707 0.5 . 1 . . . . 98 LYS N . 6780 1 1087 . 1 1 99 99 ALA H H 1 7.789 0.05 . 1 . . . . 99 ALA HN . 6780 1 1088 . 1 1 99 99 ALA HA H 1 4.219 0.05 . 1 . . . . 99 ALA HA . 6780 1 1089 . 1 1 99 99 ALA HB1 H 1 1.611 0.05 . 1 . . . . 99 ALA HB . 6780 1 1090 . 1 1 99 99 ALA HB2 H 1 1.611 0.05 . 1 . . . . 99 ALA HB . 6780 1 1091 . 1 1 99 99 ALA HB3 H 1 1.611 0.05 . 1 . . . . 99 ALA HB . 6780 1 1092 . 1 1 99 99 ALA C C 13 180.850 0.5 . 1 . . . . 99 ALA CO . 6780 1 1093 . 1 1 99 99 ALA CA C 13 55.47 0.5 . 1 . . . . 99 ALA CA . 6780 1 1094 . 1 1 99 99 ALA CB C 13 17.859 0.5 . 1 . . . . 99 ALA CB . 6780 1 1095 . 1 1 99 99 ALA N N 15 122.179 0.5 . 1 . . . . 99 ALA N . 6780 1 1096 . 1 1 100 100 GLN H H 1 7.892 0.05 . 1 . . . . 100 GLN HN . 6780 1 1097 . 1 1 100 100 GLN HA H 1 4.168 0.05 . 1 . . . . 100 GLN HA . 6780 1 1098 . 1 1 100 100 GLN HB2 H 1 2.337 0.05 . 1 . . . . 100 GLN HB2 . 6780 1 1099 . 1 1 100 100 GLN HB3 H 1 2.337 0.05 . 1 . . . . 100 GLN HB3 . 6780 1 1100 . 1 1 100 100 GLN HG2 H 1 2.72 0.05 . 1 . . . . 100 GLN HG2 . 6780 1 1101 . 1 1 100 100 GLN HG3 H 1 2.72 0.05 . 1 . . . . 100 GLN HG3 . 6780 1 1102 . 1 1 100 100 GLN HE21 H 1 6.659 0.05 . 2 . . . . 100 GLN HE21 . 6780 1 1103 . 1 1 100 100 GLN HE22 H 1 5.846 0.05 . 2 . . . . 100 GLN HE22 . 6780 1 1104 . 1 1 100 100 GLN C C 13 179.317 0.5 . 1 . . . . 100 GLN CO . 6780 1 1105 . 1 1 100 100 GLN CA C 13 59.053 0.5 . 1 . . . . 100 GLN CA . 6780 1 1106 . 1 1 100 100 GLN CB C 13 29.035 0.5 . 1 . . . . 100 GLN CB . 6780 1 1107 . 1 1 100 100 GLN CG C 13 34.646 0.5 . 1 . . . . 100 GLN CG . 6780 1 1108 . 1 1 100 100 GLN N N 15 118.794 0.5 . 1 . . . . 100 GLN N . 6780 1 1109 . 1 1 100 100 GLN NE2 N 15 107.45 0.5 . 1 . . . . 100 GLN NE2 . 6780 1 1110 . 1 1 101 101 LEU H H 1 8.358 0.05 . 1 . . . . 101 LEU HN . 6780 1 1111 . 1 1 101 101 LEU HA H 1 3.81 0.05 . 1 . . . . 101 LEU HA . 6780 1 1112 . 1 1 101 101 LEU HB2 H 1 1.905 0.05 . 2 . . . . 101 LEU HB2 . 6780 1 1113 . 1 1 101 101 LEU HB3 H 1 1.53 0.05 . 2 . . . . 101 LEU HB3 . 6780 1 1114 . 1 1 101 101 LEU HG H 1 1.535 0.05 . 1 . . . . 101 LEU HG . 6780 1 1115 . 1 1 101 101 LEU HD11 H 1 0.607 0.05 . 1 . . . . 101 LEU HD13 . 6780 1 1116 . 1 1 101 101 LEU HD12 H 1 0.607 0.05 . 1 . . . . 101 LEU HD13 . 6780 1 1117 . 1 1 101 101 LEU HD13 H 1 0.607 0.05 . 1 . . . . 101 LEU HD13 . 6780 1 1118 . 1 1 101 101 LEU HD21 H 1 0.607 0.05 . 1 . . . . 101 LEU HD23 . 6780 1 1119 . 1 1 101 101 LEU HD22 H 1 0.607 0.05 . 1 . . . . 101 LEU HD23 . 6780 1 1120 . 1 1 101 101 LEU HD23 H 1 0.607 0.05 . 1 . . . . 101 LEU HD23 . 6780 1 1121 . 1 1 101 101 LEU C C 13 179.418 0.5 . 1 . . . . 101 LEU CO . 6780 1 1122 . 1 1 101 101 LEU CA C 13 58.506 0.5 . 1 . . . . 101 LEU CA . 6780 1 1123 . 1 1 101 101 LEU CB C 13 41.183 0.5 . 1 . . . . 101 LEU CB . 6780 1 1124 . 1 1 101 101 LEU CG C 13 27.43 0.5 . 1 . . . . 101 LEU CG . 6780 1 1125 . 1 1 101 101 LEU CD1 C 13 22.001 0.5 . 1 . . . . 101 LEU CD1 . 6780 1 1126 . 1 1 101 101 LEU CD2 C 13 22.001 0.5 . 1 . . . . 101 LEU CD2 . 6780 1 1127 . 1 1 101 101 LEU N N 15 121.657 0.5 . 1 . . . . 101 LEU N . 6780 1 1128 . 1 1 102 102 THR H H 1 8.571 0.05 . 1 . . . . 102 THR HN . 6780 1 1129 . 1 1 102 102 THR HA H 1 4.457 0.05 . 1 . . . . 102 THR HA . 6780 1 1130 . 1 1 102 102 THR HB H 1 4.23 0.05 . 1 . . . . 102 THR HB . 6780 1 1131 . 1 1 102 102 THR HG21 H 1 1.353 0.05 . 1 . . . . 102 THR HG23 . 6780 1 1132 . 1 1 102 102 THR HG22 H 1 1.353 0.05 . 1 . . . . 102 THR HG23 . 6780 1 1133 . 1 1 102 102 THR HG23 H 1 1.353 0.05 . 1 . . . . 102 THR HG23 . 6780 1 1134 . 1 1 102 102 THR C C 13 178.452 0.5 . 1 . . . . 102 THR CO . 6780 1 1135 . 1 1 102 102 THR CA C 13 66.731 0.5 . 1 . . . . 102 THR CA . 6780 1 1136 . 1 1 102 102 THR CB C 13 68.412 0.5 . 1 . . . . 102 THR CB . 6780 1 1137 . 1 1 102 102 THR CG2 C 13 21.392 0.5 . 1 . . . . 102 THR CG2 . 6780 1 1138 . 1 1 102 102 THR N N 15 117.812 0.5 . 1 . . . . 102 THR N . 6780 1 1139 . 1 1 103 103 GLU H H 1 7.968 0.05 . 1 . . . . 103 GLU HN . 6780 1 1140 . 1 1 103 103 GLU HA H 1 4.133 0.05 . 1 . . . . 103 GLU HA . 6780 1 1141 . 1 1 103 103 GLU HB2 H 1 2.269 0.05 . 1 . . . . 103 GLU HB2 . 6780 1 1142 . 1 1 103 103 GLU HB3 H 1 2.269 0.05 . 1 . . . . 103 GLU HB3 . 6780 1 1143 . 1 1 103 103 GLU HG2 H 1 2.505 0.05 . 1 . . . . 103 GLU HG2 . 6780 1 1144 . 1 1 103 103 GLU HG3 H 1 2.505 0.05 . 1 . . . . 103 GLU HG3 . 6780 1 1145 . 1 1 103 103 GLU C C 13 177.942 0.5 . 1 . . . . 103 GLU CO . 6780 1 1146 . 1 1 103 103 GLU CA C 13 59.378 0.5 . 1 . . . . 103 GLU CA . 6780 1 1147 . 1 1 103 103 GLU CB C 13 29.611 0.5 . 1 . . . . 103 GLU CB . 6780 1 1148 . 1 1 103 103 GLU CG C 13 36.249 0.5 . 1 . . . . 103 GLU CG . 6780 1 1149 . 1 1 103 103 GLU N N 15 123.627 0.5 . 1 . . . . 103 GLU N . 6780 1 1150 . 1 1 104 104 ARG H H 1 7.406 0.05 . 1 . . . . 104 ARG HN . 6780 1 1151 . 1 1 104 104 ARG HA H 1 4.363 0.05 . 1 . . . . 104 ARG HA . 6780 1 1152 . 1 1 104 104 ARG HB2 H 1 2.166 0.05 . 2 . . . . 104 ARG HB2 . 6780 1 1153 . 1 1 104 104 ARG HB3 H 1 1.817 0.05 . 2 . . . . 104 ARG HB3 . 6780 1 1154 . 1 1 104 104 ARG HG2 H 1 1.825 0.05 . 1 . . . . 104 ARG HG2 . 6780 1 1155 . 1 1 104 104 ARG HG3 H 1 1.825 0.05 . 1 . . . . 104 ARG HG3 . 6780 1 1156 . 1 1 104 104 ARG HD2 H 1 3.118 0.05 . 1 . . . . 104 ARG HD2 . 6780 1 1157 . 1 1 104 104 ARG HD3 H 1 3.118 0.05 . 1 . . . . 104 ARG HD3 . 6780 1 1158 . 1 1 104 104 ARG C C 13 176.205 0.5 . 1 . . . . 104 ARG CO . 6780 1 1159 . 1 1 104 104 ARG CA C 13 56.262 0.5 . 1 . . . . 104 ARG CA . 6780 1 1160 . 1 1 104 104 ARG CB C 13 31.525 0.5 . 1 . . . . 104 ARG CB . 6780 1 1161 . 1 1 104 104 ARG CG C 13 27.659 0.5 . 1 . . . . 104 ARG CG . 6780 1 1162 . 1 1 104 104 ARG CD C 13 43.599 0.5 . 1 . . . . 104 ARG CD . 6780 1 1163 . 1 1 104 104 ARG N N 15 116.362 0.5 . 1 . . . . 104 ARG N . 6780 1 1164 . 1 1 105 105 GLY H H 1 7.941 0.05 . 1 . . . . 105 GLY HN . 6780 1 1165 . 1 1 105 105 GLY HA2 H 1 4.075 0.05 . 2 . . . . 105 GLY HA2 . 6780 1 1166 . 1 1 105 105 GLY HA3 H 1 3.91 0.05 . 2 . . . . 105 GLY HA3 . 6780 1 1167 . 1 1 105 105 GLY C C 13 174.307 0.5 . 1 . . . . 105 GLY CO . 6780 1 1168 . 1 1 105 105 GLY CA C 13 46.098 0.5 . 1 . . . . 105 GLY CA . 6780 1 1169 . 1 1 105 105 GLY N N 15 109.544 0.5 . 1 . . . . 105 GLY N . 6780 1 1170 . 1 1 106 106 ILE H H 1 7.931 0.05 . 1 . . . . 106 ILE HN . 6780 1 1171 . 1 1 106 106 ILE HA H 1 4.159 0.05 . 1 . . . . 106 ILE HA . 6780 1 1172 . 1 1 106 106 ILE HB H 1 1.63 0.05 . 1 . . . . 106 ILE HB . 6780 1 1173 . 1 1 106 106 ILE HG21 H 1 1.026 0.05 . 1 . . . . 106 ILE HG22 . 6780 1 1174 . 1 1 106 106 ILE HG22 H 1 1.026 0.05 . 1 . . . . 106 ILE HG22 . 6780 1 1175 . 1 1 106 106 ILE HG23 H 1 1.026 0.05 . 1 . . . . 106 ILE HG22 . 6780 1 1176 . 1 1 106 106 ILE HD11 H 1 1.001 0.05 . 1 . . . . 106 ILE HD13 . 6780 1 1177 . 1 1 106 106 ILE HD12 H 1 1.001 0.05 . 1 . . . . 106 ILE HD13 . 6780 1 1178 . 1 1 106 106 ILE HD13 H 1 1.001 0.05 . 1 . . . . 106 ILE HD13 . 6780 1 1179 . 1 1 106 106 ILE C C 13 175.634 0.5 . 1 . . . . 106 ILE CO . 6780 1 1180 . 1 1 106 106 ILE CA C 13 60.499 0.5 . 1 . . . . 106 ILE CA . 6780 1 1181 . 1 1 106 106 ILE CB C 13 38.731 0.5 . 1 . . . . 106 ILE CB . 6780 1 1182 . 1 1 106 106 ILE CG1 C 13 27.553 0.5 . 1 . . . . 106 ILE CG1 . 6780 1 1183 . 1 1 106 106 ILE CG2 C 13 18.166 0.5 . 1 . . . . 106 ILE CG2 . 6780 1 1184 . 1 1 106 106 ILE CD1 C 13 12.819 0.5 . 1 . . . . 106 ILE CD1 . 6780 1 1185 . 1 1 106 106 ILE N N 15 123.211 0.5 . 1 . . . . 106 ILE N . 6780 1 1186 . 1 1 107 107 THR H H 1 8.198 0.05 . 1 . . . . 107 THR HN . 6780 1 1187 . 1 1 107 107 THR HA H 1 4.053 0.05 . 1 . . . . 107 THR HA . 6780 1 1188 . 1 1 107 107 THR HB H 1 3.995 0.05 . 1 . . . . 107 THR HB . 6780 1 1189 . 1 1 107 107 THR HG21 H 1 1.111 0.05 . 1 . . . . 107 THR HG23 . 6780 1 1190 . 1 1 107 107 THR HG22 H 1 1.111 0.05 . 1 . . . . 107 THR HG23 . 6780 1 1191 . 1 1 107 107 THR HG23 H 1 1.111 0.05 . 1 . . . . 107 THR HG23 . 6780 1 1192 . 1 1 107 107 THR C C 13 172.767 0.5 . 1 . . . . 107 THR CO . 6780 1 1193 . 1 1 107 107 THR CA C 13 62.089 0.5 . 1 . . . . 107 THR CA . 6780 1 1194 . 1 1 107 107 THR CB C 13 69.587 0.5 . 1 . . . . 107 THR CB . 6780 1 1195 . 1 1 107 107 THR CG2 C 13 21.566 0.5 . 1 . . . . 107 THR CG2 . 6780 1 1196 . 1 1 107 107 THR N N 15 121.889 0.5 . 1 . . . . 107 THR N . 6780 1 1197 . 1 1 108 108 PHE H H 1 7.132 0.05 . 1 . . . . 108 PHE HN . 6780 1 1198 . 1 1 108 108 PHE HA H 1 4.344 0.05 . 1 . . . . 108 PHE HA . 6780 1 1199 . 1 1 108 108 PHE HB2 H 1 2.062 0.05 . 1 . . . . 108 PHE HB2 . 6780 1 1200 . 1 1 108 108 PHE HB3 H 1 2.062 0.05 . 1 . . . . 108 PHE HB3 . 6780 1 1201 . 1 1 108 108 PHE HD1 H 1 6.942 0.05 . 1 . . . . 108 PHE HD2 . 6780 1 1202 . 1 1 108 108 PHE HD2 H 1 6.942 0.05 . 1 . . . . 108 PHE HD3 . 6780 1 1203 . 1 1 108 108 PHE HE1 H 1 7.218 0.05 . 1 . . . . 108 PHE HE2 . 6780 1 1204 . 1 1 108 108 PHE HE2 H 1 7.218 0.05 . 1 . . . . 108 PHE HE3 . 6780 1 1205 . 1 1 108 108 PHE C C 13 176.575 0.5 . 1 . . . . 108 PHE CO . 6780 1 1206 . 1 1 108 108 PHE CA C 13 54.333 0.5 . 1 . . . . 108 PHE CA . 6780 1 1207 . 1 1 108 108 PHE CB C 13 41.35 0.5 . 1 . . . . 108 PHE CB . 6780 1 1208 . 1 1 108 108 PHE CD1 C 13 128.035 0.5 . 1 . . . . 108 PHE CD# . 6780 1 1209 . 1 1 108 108 PHE CD2 C 13 128.035 0.5 . 1 . . . . 108 PHE CD# . 6780 1 1210 . 1 1 108 108 PHE CE1 C 13 127.52 0.5 . 1 . . . . 108 PHE CE# . 6780 1 1211 . 1 1 108 108 PHE CE2 C 13 127.52 0.5 . 1 . . . . 108 PHE CE# . 6780 1 1212 . 1 1 108 108 PHE N N 15 118.068 0.5 . 1 . . . . 108 PHE N . 6780 1 1213 . 1 1 109 109 LYS H H 1 8.343 0.05 . 1 . . . . 109 LYS HN . 6780 1 1214 . 1 1 109 109 LYS HA H 1 4.373 0.05 . 1 . . . . 109 LYS HA . 6780 1 1215 . 1 1 109 109 LYS HB2 H 1 1.706 0.05 . 1 . . . . 109 LYS HB2 . 6780 1 1216 . 1 1 109 109 LYS HB3 H 1 1.706 0.05 . 1 . . . . 109 LYS HB3 . 6780 1 1217 . 1 1 109 109 LYS HG2 H 1 1.477 0.05 . 1 . . . . 109 LYS HG2 . 6780 1 1218 . 1 1 109 109 LYS HG3 H 1 1.477 0.05 . 1 . . . . 109 LYS HG3 . 6780 1 1219 . 1 1 109 109 LYS HD2 H 1 1.806 0.05 . 1 . . . . 109 LYS HD2 . 6780 1 1220 . 1 1 109 109 LYS HD3 H 1 1.806 0.05 . 1 . . . . 109 LYS HD3 . 6780 1 1221 . 1 1 109 109 LYS CA C 13 56.125 0.5 . 1 . . . . 109 LYS CA . 6780 1 1222 . 1 1 109 109 LYS CB C 13 33.284 0.5 . 1 . . . . 109 LYS CB . 6780 1 1223 . 1 1 109 109 LYS CG C 13 24.567 0.5 . 1 . . . . 109 LYS CG . 6780 1 1224 . 1 1 109 109 LYS CD C 13 29.016 0.5 . 1 . . . . 109 LYS CD . 6780 1 1225 . 1 1 109 109 LYS CE C 13 41.212 0.5 . 1 . . . . 109 LYS CE . 6780 1 1226 . 1 1 109 109 LYS N N 15 122.719 0.5 . 1 . . . . 109 LYS N . 6780 1 1227 . 1 1 110 110 GLN H H 1 8.08 0.05 . 1 . . . . 110 GLN HN . 6780 1 1228 . 1 1 110 110 GLN CA C 13 53.688 0.5 . 1 . . . . 110 GLN CA . 6780 1 1229 . 1 1 110 110 GLN CB C 13 31.194 0.5 . 1 . . . . 110 GLN CB . 6780 1 1230 . 1 1 110 110 GLN N N 15 121.742 0.5 . 1 . . . . 110 GLN N . 6780 1 1231 . 1 1 111 111 SER HA H 1 4.537 0.05 . 1 . . . . 111 SER HA . 6780 1 1232 . 1 1 111 111 SER HB2 H 1 4.224 0.05 . 2 . . . . 111 SER HB2 . 6780 1 1233 . 1 1 111 111 SER HB3 H 1 3.853 0.05 . 2 . . . . 111 SER HB3 . 6780 1 1234 . 1 1 111 111 SER C C 13 174.264 0.5 . 1 . . . . 111 SER CO . 6780 1 1235 . 1 1 111 111 SER CA C 13 57.031 0.5 . 1 . . . . 111 SER CA . 6780 1 1236 . 1 1 111 111 SER CB C 13 62.856 0.5 . 1 . . . . 111 SER CB . 6780 1 1237 . 1 1 112 112 ALA H H 1 7.429 0.05 . 1 . . . . 112 ALA HN . 6780 1 1238 . 1 1 112 112 ALA HA H 1 4.428 0.05 . 1 . . . . 112 ALA HA . 6780 1 1239 . 1 1 112 112 ALA HB1 H 1 1.524 0.05 . 1 . . . . 112 ALA HB . 6780 1 1240 . 1 1 112 112 ALA HB2 H 1 1.524 0.05 . 1 . . . . 112 ALA HB . 6780 1 1241 . 1 1 112 112 ALA HB3 H 1 1.524 0.05 . 1 . . . . 112 ALA HB . 6780 1 1242 . 1 1 112 112 ALA C C 13 177.614 0.5 . 1 . . . . 112 ALA CO . 6780 1 1243 . 1 1 112 112 ALA CA C 13 52.978 0.5 . 1 . . . . 112 ALA CA . 6780 1 1244 . 1 1 112 112 ALA CB C 13 19.535 0.5 . 1 . . . . 112 ALA CB . 6780 1 1245 . 1 1 112 112 ALA N N 15 125.898 0.5 . 1 . . . . 112 ALA N . 6780 1 1246 . 1 1 113 113 THR H H 1 8.513 0.05 . 1 . . . . 113 THR HN . 6780 1 1247 . 1 1 113 113 THR HA H 1 4.73 0.05 . 1 . . . . 113 THR HA . 6780 1 1248 . 1 1 113 113 THR HB H 1 4.438 0.05 . 1 . . . . 113 THR HB . 6780 1 1249 . 1 1 113 113 THR HG21 H 1 1.461 0.05 . 1 . . . . 113 THR HG23 . 6780 1 1250 . 1 1 113 113 THR HG22 H 1 1.461 0.05 . 1 . . . . 113 THR HG23 . 6780 1 1251 . 1 1 113 113 THR HG23 H 1 1.461 0.05 . 1 . . . . 113 THR HG23 . 6780 1 1252 . 1 1 113 113 THR C C 13 175.108 0.5 . 1 . . . . 113 THR CO . 6780 1 1253 . 1 1 113 113 THR CA C 13 60.013 0.5 . 1 . . . . 113 THR CA . 6780 1 1254 . 1 1 113 113 THR CB C 13 71.179 0.5 . 1 . . . . 113 THR CB . 6780 1 1255 . 1 1 113 113 THR CG2 C 13 22.061 0.5 . 1 . . . . 113 THR CG2 . 6780 1 1256 . 1 1 113 113 THR N N 15 112.291 0.5 . 1 . . . . 113 THR N . 6780 1 1257 . 1 1 114 114 LYS H H 1 8.852 0.05 . 1 . . . . 114 LYS HN . 6780 1 1258 . 1 1 114 114 LYS HA H 1 3.773 0.05 . 1 . . . . 114 LYS HA . 6780 1 1259 . 1 1 114 114 LYS HB2 H 1 1.953 0.05 . 2 . . . . 114 LYS HB2 . 6780 1 1260 . 1 1 114 114 LYS HB3 H 1 1.745 0.05 . 2 . . . . 114 LYS HB3 . 6780 1 1261 . 1 1 114 114 LYS HG2 H 1 1.433 0.05 . 1 . . . . 114 LYS HG2 . 6780 1 1262 . 1 1 114 114 LYS HG3 H 1 1.433 0.05 . 1 . . . . 114 LYS HG3 . 6780 1 1263 . 1 1 114 114 LYS HD2 H 1 1.905 0.05 . 1 . . . . 114 LYS HD2 . 6780 1 1264 . 1 1 114 114 LYS HD3 H 1 1.905 0.05 . 1 . . . . 114 LYS HD3 . 6780 1 1265 . 1 1 114 114 LYS HE2 H 1 3.143 0.05 . 1 . . . . 114 LYS HE2 . 6780 1 1266 . 1 1 114 114 LYS HE3 H 1 3.143 0.05 . 1 . . . . 114 LYS HE3 . 6780 1 1267 . 1 1 114 114 LYS C C 13 177.449 0.5 . 1 . . . . 114 LYS CO . 6780 1 1268 . 1 1 114 114 LYS CA C 13 61.257 0.5 . 1 . . . . 114 LYS CA . 6780 1 1269 . 1 1 114 114 LYS CB C 13 32.327 0.5 . 1 . . . . 114 LYS CB . 6780 1 1270 . 1 1 114 114 LYS CG C 13 25.729 0.5 . 1 . . . . 114 LYS CG . 6780 1 1271 . 1 1 114 114 LYS CD C 13 30.081 0.5 . 1 . . . . 114 LYS CD . 6780 1 1272 . 1 1 114 114 LYS CE C 13 42.51 0.5 . 1 . . . . 114 LYS CE . 6780 1 1273 . 1 1 114 114 LYS N N 15 120.87 0.5 . 1 . . . . 114 LYS N . 6780 1 1274 . 1 1 115 115 ALA H H 1 8.329 0.05 . 1 . . . . 115 ALA HN . 6780 1 1275 . 1 1 115 115 ALA HA H 1 4.053 0.05 . 1 . . . . 115 ALA HA . 6780 1 1276 . 1 1 115 115 ALA HB1 H 1 1.449 0.05 . 1 . . . . 115 ALA HB . 6780 1 1277 . 1 1 115 115 ALA HB2 H 1 1.449 0.05 . 1 . . . . 115 ALA HB . 6780 1 1278 . 1 1 115 115 ALA HB3 H 1 1.449 0.05 . 1 . . . . 115 ALA HB . 6780 1 1279 . 1 1 115 115 ALA C C 13 181.166 0.5 . 1 . . . . 115 ALA CO . 6780 1 1280 . 1 1 115 115 ALA CA C 13 55.351 0.5 . 1 . . . . 115 ALA CA . 6780 1 1281 . 1 1 115 115 ALA CB C 13 18.482 0.5 . 1 . . . . 115 ALA CB . 6780 1 1282 . 1 1 115 115 ALA N N 15 118.255 0.5 . 1 . . . . 115 ALA N . 6780 1 1283 . 1 1 116 116 GLU H H 1 7.551 0.05 . 1 . . . . 116 GLU HN . 6780 1 1284 . 1 1 116 116 GLU HA H 1 3.986 0.05 . 1 . . . . 116 GLU HA . 6780 1 1285 . 1 1 116 116 GLU HB2 H 1 2.471 0.05 . 2 . . . . 116 GLU HB2 . 6780 1 1286 . 1 1 116 116 GLU HB3 H 1 2.026 0.05 . 2 . . . . 116 GLU HB3 . 6780 1 1287 . 1 1 116 116 GLU HG2 H 1 2.392 0.05 . 1 . . . . 116 GLU HG2 . 6780 1 1288 . 1 1 116 116 GLU HG3 H 1 2.392 0.05 . 1 . . . . 116 GLU HG3 . 6780 1 1289 . 1 1 116 116 GLU C C 13 179.191 0.5 . 1 . . . . 116 GLU CO . 6780 1 1290 . 1 1 116 116 GLU CA C 13 59.068 0.5 . 1 . . . . 116 GLU CA . 6780 1 1291 . 1 1 116 116 GLU CB C 13 30.258 0.5 . 1 . . . . 116 GLU CB . 6780 1 1292 . 1 1 116 116 GLU CG C 13 37.697 0.5 . 1 . . . . 116 GLU CG . 6780 1 1293 . 1 1 116 116 GLU N N 15 119.187 0.5 . 1 . . . . 116 GLU N . 6780 1 1294 . 1 1 117 117 LEU H H 1 8.153 0.05 . 1 . . . . 117 LEU HN . 6780 1 1295 . 1 1 117 117 LEU HA H 1 4.05 0.05 . 1 . . . . 117 LEU HA . 6780 1 1296 . 1 1 117 117 LEU HB2 H 1 2.145 0.05 . 2 . . . . 117 LEU HB2 . 6780 1 1297 . 1 1 117 117 LEU HB3 H 1 1.155 0.05 . 2 . . . . 117 LEU HB3 . 6780 1 1298 . 1 1 117 117 LEU HG H 1 1.189 0.05 . 1 . . . . 117 LEU HG . 6780 1 1299 . 1 1 117 117 LEU HD11 H 1 0.713 0.05 . 1 . . . . 117 LEU HD13 . 6780 1 1300 . 1 1 117 117 LEU HD12 H 1 0.713 0.05 . 1 . . . . 117 LEU HD13 . 6780 1 1301 . 1 1 117 117 LEU HD13 H 1 0.713 0.05 . 1 . . . . 117 LEU HD13 . 6780 1 1302 . 1 1 117 117 LEU HD21 H 1 0.353 0.05 . 1 . . . . 117 LEU HD23 . 6780 1 1303 . 1 1 117 117 LEU HD22 H 1 0.353 0.05 . 1 . . . . 117 LEU HD23 . 6780 1 1304 . 1 1 117 117 LEU HD23 H 1 0.353 0.05 . 1 . . . . 117 LEU HD23 . 6780 1 1305 . 1 1 117 117 LEU C C 13 179.281 0.5 . 1 . . . . 117 LEU CO . 6780 1 1306 . 1 1 117 117 LEU CA C 13 57.601 0.5 . 1 . . . . 117 LEU CA . 6780 1 1307 . 1 1 117 117 LEU CB C 13 42.122 0.5 . 1 . . . . 117 LEU CB . 6780 1 1308 . 1 1 117 117 LEU CG C 13 28.698 0.5 . 1 . . . . 117 LEU CG . 6780 1 1309 . 1 1 117 117 LEU CD1 C 13 22.936 0.5 . 1 . . . . 117 LEU CD1 . 6780 1 1310 . 1 1 117 117 LEU CD2 C 13 22.936 0.5 . 1 . . . . 117 LEU CD2 . 6780 1 1311 . 1 1 117 117 LEU N N 15 119.479 0.5 . 1 . . . . 117 LEU N . 6780 1 1312 . 1 1 118 118 ILE H H 1 8.386 0.05 . 1 . . . . 118 ILE HN . 6780 1 1313 . 1 1 118 118 ILE HA H 1 3.736 0.05 . 1 . . . . 118 ILE HA . 6780 1 1314 . 1 1 118 118 ILE HB H 1 1.86 0.05 . 1 . . . . 118 ILE HB . 6780 1 1315 . 1 1 118 118 ILE HG21 H 1 0.874 0.05 . 1 . . . . 118 ILE HG22 . 6780 1 1316 . 1 1 118 118 ILE HG22 H 1 0.874 0.05 . 1 . . . . 118 ILE HG22 . 6780 1 1317 . 1 1 118 118 ILE HG23 H 1 0.874 0.05 . 1 . . . . 118 ILE HG22 . 6780 1 1318 . 1 1 118 118 ILE HD11 H 1 0.835 0.05 . 1 . . . . 118 ILE HD13 . 6780 1 1319 . 1 1 118 118 ILE HD12 H 1 0.835 0.05 . 1 . . . . 118 ILE HD13 . 6780 1 1320 . 1 1 118 118 ILE HD13 H 1 0.835 0.05 . 1 . . . . 118 ILE HD13 . 6780 1 1321 . 1 1 118 118 ILE C C 13 179.046 0.5 . 1 . . . . 118 ILE CO . 6780 1 1322 . 1 1 118 118 ILE CA C 13 65.983 0.5 . 1 . . . . 118 ILE CA . 6780 1 1323 . 1 1 118 118 ILE CB C 13 38.153 0.5 . 1 . . . . 118 ILE CB . 6780 1 1324 . 1 1 118 118 ILE CG1 C 13 31.214 0.5 . 1 . . . . 118 ILE CG1 . 6780 1 1325 . 1 1 118 118 ILE CG2 C 13 16.89 0.5 . 1 . . . . 118 ILE CG2 . 6780 1 1326 . 1 1 118 118 ILE CD1 C 13 16.866 0.5 . 1 . . . . 118 ILE CD1 . 6780 1 1327 . 1 1 118 118 ILE N N 15 118.82 0.5 . 1 . . . . 118 ILE N . 6780 1 1328 . 1 1 119 119 ALA H H 1 7.506 0.05 . 1 . . . . 119 ALA HN . 6780 1 1329 . 1 1 119 119 ALA HA H 1 4.268 0.05 . 1 . . . . 119 ALA HA . 6780 1 1330 . 1 1 119 119 ALA HB1 H 1 1.566 0.05 . 1 . . . . 119 ALA HB . 6780 1 1331 . 1 1 119 119 ALA HB2 H 1 1.566 0.05 . 1 . . . . 119 ALA HB . 6780 1 1332 . 1 1 119 119 ALA HB3 H 1 1.566 0.05 . 1 . . . . 119 ALA HB . 6780 1 1333 . 1 1 119 119 ALA C C 13 179.333 0.5 . 1 . . . . 119 ALA CO . 6780 1 1334 . 1 1 119 119 ALA CA C 13 54.201 0.5 . 1 . . . . 119 ALA CA . 6780 1 1335 . 1 1 119 119 ALA CB C 13 18.301 0.5 . 1 . . . . 119 ALA CB . 6780 1 1336 . 1 1 119 119 ALA N N 15 121.103 0.5 . 1 . . . . 119 ALA N . 6780 1 1337 . 1 1 120 120 LEU H H 1 7.49 0.05 . 1 . . . . 120 LEU HN . 6780 1 1338 . 1 1 120 120 LEU HA H 1 4.271 0.05 . 1 . . . . 120 LEU HA . 6780 1 1339 . 1 1 120 120 LEU HB2 H 1 2.17 0.05 . 2 . . . . 120 LEU HB2 . 6780 1 1340 . 1 1 120 120 LEU HB3 H 1 1.442 0.05 . 2 . . . . 120 LEU HB3 . 6780 1 1341 . 1 1 120 120 LEU HD11 H 1 1.055 0.05 . 1 . . . . 120 LEU HD13 . 6780 1 1342 . 1 1 120 120 LEU HD12 H 1 1.055 0.05 . 1 . . . . 120 LEU HD13 . 6780 1 1343 . 1 1 120 120 LEU HD13 H 1 1.055 0.05 . 1 . . . . 120 LEU HD13 . 6780 1 1344 . 1 1 120 120 LEU HD21 H 1 1.055 0.05 . 1 . . . . 120 LEU HD23 . 6780 1 1345 . 1 1 120 120 LEU HD22 H 1 1.055 0.05 . 1 . . . . 120 LEU HD23 . 6780 1 1346 . 1 1 120 120 LEU HD23 H 1 1.055 0.05 . 1 . . . . 120 LEU HD23 . 6780 1 1347 . 1 1 120 120 LEU C C 13 177.655 0.5 . 1 . . . . 120 LEU CO . 6780 1 1348 . 1 1 120 120 LEU CA C 13 55.888 0.5 . 1 . . . . 120 LEU CA . 6780 1 1349 . 1 1 120 120 LEU CB C 13 42.156 0.5 . 1 . . . . 120 LEU CB . 6780 1 1350 . 1 1 120 120 LEU CG C 13 26.479 0.5 . 1 . . . . 120 LEU CG . 6780 1 1351 . 1 1 120 120 LEU CD1 C 13 22.353 0.5 . 1 . . . . 120 LEU CD1 . 6780 1 1352 . 1 1 120 120 LEU CD2 C 13 22.353 0.5 . 1 . . . . 120 LEU CD2 . 6780 1 1353 . 1 1 120 120 LEU N N 15 117.226 0.5 . 1 . . . . 120 LEU N . 6780 1 1354 . 1 1 121 121 PHE H H 1 7.692 0.05 . 1 . . . . 121 PHE HN . 6780 1 1355 . 1 1 121 121 PHE HA H 1 4.15 0.05 . 1 . . . . 121 PHE HA . 6780 1 1356 . 1 1 121 121 PHE HB2 H 1 3.105 0.05 . 1 . . . . 121 PHE HB2 . 6780 1 1357 . 1 1 121 121 PHE HB3 H 1 3.105 0.05 . 1 . . . . 121 PHE HB3 . 6780 1 1358 . 1 1 121 121 PHE HD1 H 1 7.402 0.05 . 1 . . . . 121 PHE HD2 . 6780 1 1359 . 1 1 121 121 PHE HD2 H 1 7.402 0.05 . 1 . . . . 121 PHE HD3 . 6780 1 1360 . 1 1 121 121 PHE HE1 H 1 6.948 0.05 . 1 . . . . 121 PHE HE2 . 6780 1 1361 . 1 1 121 121 PHE HE2 H 1 6.948 0.05 . 1 . . . . 121 PHE HE3 . 6780 1 1362 . 1 1 121 121 PHE C C 13 175.682 0.5 . 1 . . . . 121 PHE CO . 6780 1 1363 . 1 1 121 121 PHE CA C 13 59.453 0.5 . 1 . . . . 121 PHE CA . 6780 1 1364 . 1 1 121 121 PHE CB C 13 39.349 0.5 . 1 . . . . 121 PHE CB . 6780 1 1365 . 1 1 121 121 PHE CD1 C 13 128.51 0.5 . 1 . . . . 121 PHE CD# . 6780 1 1366 . 1 1 121 121 PHE CD2 C 13 128.51 0.5 . 1 . . . . 121 PHE CD# . 6780 1 1367 . 1 1 121 121 PHE CE1 C 13 127.403 0.5 . 1 . . . . 121 PHE CE# . 6780 1 1368 . 1 1 121 121 PHE CE2 C 13 127.403 0.5 . 1 . . . . 121 PHE CE# . 6780 1 1369 . 1 1 121 121 PHE N N 15 117.291 0.5 . 1 . . . . 121 PHE N . 6780 1 1370 . 1 1 122 122 ALA H H 1 7.644 0.05 . 1 . . . . 122 ALA HN . 6780 1 1371 . 1 1 122 122 ALA CA C 13 50.802 0.5 . 1 . . . . 122 ALA CA . 6780 1 1372 . 1 1 122 122 ALA CB C 13 18.646 0.5 . 1 . . . . 122 ALA CB . 6780 1 1373 . 1 1 122 122 ALA N N 15 124.225 0.5 . 1 . . . . 122 ALA N . 6780 1 1374 . 1 1 123 123 PRO HA H 1 4.444 0.05 . 1 . . . . 123 PRO HA . 6780 1 1375 . 1 1 123 123 PRO HB2 H 1 2.333 0.05 . 2 . . . . 123 PRO HB2 . 6780 1 1376 . 1 1 123 123 PRO HB3 H 1 1.965 0.05 . 2 . . . . 123 PRO HB3 . 6780 1 1377 . 1 1 123 123 PRO HD2 H 1 4.193 0.05 . 1 . . . . 123 PRO HD2 . 6780 1 1378 . 1 1 123 123 PRO HD3 H 1 4.193 0.05 . 1 . . . . 123 PRO HD3 . 6780 1 1379 . 1 1 123 123 PRO C C 13 176.697 0.5 . 1 . . . . 123 PRO CO . 6780 1 1380 . 1 1 123 123 PRO CA C 13 62.926 0.5 . 1 . . . . 123 PRO CA . 6780 1 1381 . 1 1 123 123 PRO CB C 13 32.102 0.5 . 1 . . . . 123 PRO CB . 6780 1 1382 . 1 1 123 123 PRO CG C 13 27.506 0.5 . 1 . . . . 123 PRO CG . 6780 1 1383 . 1 1 123 123 PRO CD C 13 50.514 0.5 . 1 . . . . 123 PRO CD . 6780 1 1384 . 1 1 124 124 ALA H H 1 8.443 0.05 . 1 . . . . 124 ALA HN . 6780 1 1385 . 1 1 124 124 ALA HA H 1 4.377 0.05 . 1 . . . . 124 ALA HA . 6780 1 1386 . 1 1 124 124 ALA HB1 H 1 1.456 0.05 . 1 . . . . 124 ALA HB . 6780 1 1387 . 1 1 124 124 ALA HB2 H 1 1.456 0.05 . 1 . . . . 124 ALA HB . 6780 1 1388 . 1 1 124 124 ALA HB3 H 1 1.456 0.05 . 1 . . . . 124 ALA HB . 6780 1 1389 . 1 1 124 124 ALA C C 13 177.669 0.5 . 1 . . . . 124 ALA CO . 6780 1 1390 . 1 1 124 124 ALA CA C 13 52.384 0.5 . 1 . . . . 124 ALA CA . 6780 1 1391 . 1 1 124 124 ALA CB C 13 19.395 0.5 . 1 . . . . 124 ALA CB . 6780 1 1392 . 1 1 124 124 ALA N N 15 124.976 0.5 . 1 . . . . 124 ALA N . 6780 1 1393 . 1 1 125 125 ASP H H 1 8.31 0.05 . 1 . . . . 125 ASP HN . 6780 1 1394 . 1 1 125 125 ASP HA H 1 4.637 0.05 . 1 . . . . 125 ASP HA . 6780 1 1395 . 1 1 125 125 ASP HB2 H 1 2.721 0.05 . 1 . . . . 125 ASP HB2 . 6780 1 1396 . 1 1 125 125 ASP HB3 H 1 2.721 0.05 . 1 . . . . 125 ASP HB3 . 6780 1 1397 . 1 1 125 125 ASP C C 13 176.835 0.5 . 1 . . . . 125 ASP CO . 6780 1 1398 . 1 1 125 125 ASP CA C 13 54.314 0.5 . 1 . . . . 125 ASP CA . 6780 1 1399 . 1 1 125 125 ASP CB C 13 41.257 0.5 . 1 . . . . 125 ASP CB . 6780 1 1400 . 1 1 125 125 ASP N N 15 119.866 0.5 . 1 . . . . 125 ASP N . 6780 1 1401 . 1 1 126 126 GLY H H 1 8.241 0.05 . 1 . . . . 126 GLY HN . 6780 1 1402 . 1 1 126 126 GLY HA2 H 1 4.014 0.05 . 1 . . . . 126 GLY HA2 . 6780 1 1403 . 1 1 126 126 GLY HA3 H 1 4.014 0.05 . 1 . . . . 126 GLY HA3 . 6780 1 1404 . 1 1 126 126 GLY C C 13 174.159 0.5 . 1 . . . . 126 GLY CO . 6780 1 1405 . 1 1 126 126 GLY CA C 13 45.304 0.5 . 1 . . . . 126 GLY CA . 6780 1 1406 . 1 1 126 126 GLY N N 15 109.345 0.5 . 1 . . . . 126 GLY N . 6780 1 1407 . 1 1 127 127 GLU H H 1 8.236 0.05 . 1 . . . . 127 GLU HN . 6780 1 1408 . 1 1 127 127 GLU CA C 13 56.468 0.5 . 1 . . . . 127 GLU CA . 6780 1 1409 . 1 1 127 127 GLU CB C 13 30.35 0.5 . 1 . . . . 127 GLU CB . 6780 1 1410 . 1 1 127 127 GLU N N 15 120.865 0.5 . 1 . . . . 127 GLU N . 6780 1 1411 . 1 1 128 128 LYS HA H 1 4.443 0.05 . 1 . . . . 128 LYS HA . 6780 1 1412 . 1 1 128 128 LYS HB2 H 1 1.862 0.05 . 1 . . . . 128 LYS HB2 . 6780 1 1413 . 1 1 128 128 LYS HB3 H 1 1.862 0.05 . 1 . . . . 128 LYS HB3 . 6780 1 1414 . 1 1 128 128 LYS C C 13 176.445 0.5 . 1 . . . . 128 LYS CO . 6780 1 1415 . 1 1 128 128 LYS CA C 13 55.918 0.5 . 1 . . . . 128 LYS CA . 6780 1 1416 . 1 1 128 128 LYS CB C 13 33.125 0.5 . 1 . . . . 128 LYS CB . 6780 1 1417 . 1 1 129 129 SER H H 1 8.38 0.05 . 1 . . . . 129 SER HN . 6780 1 1418 . 1 1 129 129 SER HA H 1 4.527 0.05 . 1 . . . . 129 SER HA . 6780 1 1419 . 1 1 129 129 SER HB2 H 1 3.938 0.05 . 1 . . . . 129 SER HB2 . 6780 1 1420 . 1 1 129 129 SER HB3 H 1 3.938 0.05 . 1 . . . . 129 SER HB3 . 6780 1 1421 . 1 1 129 129 SER C C 13 174.398 0.5 . 1 . . . . 129 SER CO . 6780 1 1422 . 1 1 129 129 SER CA C 13 58.188 0.5 . 1 . . . . 129 SER CA . 6780 1 1423 . 1 1 129 129 SER CB C 13 63.74 0.5 . 1 . . . . 129 SER CB . 6780 1 1424 . 1 1 129 129 SER N N 15 117.984 0.5 . 1 . . . . 129 SER N . 6780 1 1425 . 1 1 130 130 GLU H H 1 8.412 0.05 . 1 . . . . 130 GLU HN . 6780 1 1426 . 1 1 130 130 GLU HA H 1 4.398 0.05 . 1 . . . . 130 GLU HA . 6780 1 1427 . 1 1 130 130 GLU HB2 H 1 2.115 0.05 . 2 . . . . 130 GLU HB2 . 6780 1 1428 . 1 1 130 130 GLU HB3 H 1 1.972 0.05 . 2 . . . . 130 GLU HB3 . 6780 1 1429 . 1 1 130 130 GLU HG2 H 1 2.304 0.05 . 1 . . . . 130 GLU HG2 . 6780 1 1430 . 1 1 130 130 GLU HG3 H 1 2.304 0.05 . 1 . . . . 130 GLU HG3 . 6780 1 1431 . 1 1 130 130 GLU C C 13 175.103 0.5 . 1 . . . . 130 GLU CO . 6780 1 1432 . 1 1 130 130 GLU CA C 13 56.229 0.5 . 1 . . . . 130 GLU CA . 6780 1 1433 . 1 1 130 130 GLU CB C 13 30.476 0.5 . 1 . . . . 130 GLU CB . 6780 1 1434 . 1 1 130 130 GLU CG C 13 36.258 0.5 . 1 . . . . 130 GLU CG . 6780 1 1435 . 1 1 130 130 GLU N N 15 123.647 0.5 . 1 . . . . 130 GLU N . 6780 1 1436 . 1 1 131 131 ALA H H 1 7.937 0.05 . 1 . . . . 131 ALA HN . 6780 1 1437 . 1 1 131 131 ALA CA C 13 53.806 0.5 . 1 . . . . 131 ALA CA . 6780 1 1438 . 1 1 131 131 ALA CB C 13 20.368 0.5 . 1 . . . . 131 ALA CB . 6780 1 1439 . 1 1 131 131 ALA N N 15 130.678 0.5 . 1 . . . . 131 ALA N . 6780 1 stop_ save_