data_6716 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6716 _Entry.Title ; Solution structure of the helicase-interaction domain of the primase DnaG: a model for helicase activation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-30 _Entry.Accession_date 2005-07-21 _Entry.Last_release_date 2006-04-25 _Entry.Original_release_date 2006-04-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Syson . . . 6716 2 J. Thirlway . . . 6716 3 A. Hounslow . M. . 6716 4 P. Soultanas . . . 6716 5 J. Waltho . P. . 6716 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6716 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 6716 '15N chemical shifts' 134 6716 '1H chemical shifts' 898 6716 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 . . 2006-04-25 2005-06-30 original author . 6716 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Z8S 'BMRB Entry Tracking System' 6716 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6716 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15837199 _Citation.Full_citation . _Citation.Title ; Solution structure of the helicase-interaction domain of the primase DnaG: a model for helicase activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U. S.)' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 609 _Citation.Page_last 616 _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 K. Syson . . . 6716 1 2 J. Thirlway . . . 6716 1 3 A. Hounslow . M. . 6716 1 4 P. Soultanas . . . 6716 1 5 J. Waltho . P. . 6716 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'two alpha helical sub-domains' 6716 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DNA_primase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DNA_primase _Assembly.Entry_ID 6716 _Assembly.ID 1 _Assembly.Name 'DNA primase (E.C.2.7.7.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6716 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA primase' 1 $DNA_primase . . . native . . . . . 6716 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Z8S . . . . . . 6716 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA primase' abbreviation 6716 1 'DNA primase (E.C.2.7.7.-)' system 6716 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_primase _Entity.Sf_category entity _Entity.Sf_framecode DNA_primase _Entity.Entry_ID 6716 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA primase' _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 ; MAKKLLPAFQNAERLLLAHM MRSRDVALVVQERIGGRFNI EEHRALAAYIYAFYEEGHEA DPGALISRIPGELQPLASEL SLLLIADDVSEQELEDYIRH VLNRPKWLMLKVKEQEKTEA ERRKDFLTAARIAKEMIEMK KMLSSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1Z8S . "Dnab Binding Domain Of Dnag (P16) From Bacillus Stearothermophilus (Residues 452-597)" . . . . . 100.00 146 100.00 100.00 7.08e-99 . . . . 6716 1 2 no GB AAD20315 . "DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 597 97.95 100.00 1.41e-91 . . . . 6716 1 3 no GB KFL17518 . "DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 598 97.95 99.32 4.78e-91 . . . . 6716 1 4 no GB KFX31918 . "DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 598 97.95 99.32 4.78e-91 . . . . 6716 1 5 no REF WP_033007926 . "DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 598 97.95 99.32 4.78e-91 . . . . 6716 1 6 no REF WP_033014674 . "DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 598 99.32 100.00 1.74e-92 . . . . 6716 1 7 no SP Q9X4D0 . "RecName: Full=DNA primase [Geobacillus stearothermophilus]" . . . . . 100.00 597 97.95 100.00 1.41e-91 . . . . 6716 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA primase' abbreviation 6716 1 'DNA primase' common 6716 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6716 1 2 . ALA . 6716 1 3 . LYS . 6716 1 4 . LYS . 6716 1 5 . LEU . 6716 1 6 . LEU . 6716 1 7 . PRO . 6716 1 8 . ALA . 6716 1 9 . PHE . 6716 1 10 . GLN . 6716 1 11 . ASN . 6716 1 12 . ALA . 6716 1 13 . GLU . 6716 1 14 . ARG . 6716 1 15 . LEU . 6716 1 16 . LEU . 6716 1 17 . LEU . 6716 1 18 . ALA . 6716 1 19 . HIS . 6716 1 20 . MET . 6716 1 21 . MET . 6716 1 22 . ARG . 6716 1 23 . SER . 6716 1 24 . ARG . 6716 1 25 . ASP . 6716 1 26 . VAL . 6716 1 27 . ALA . 6716 1 28 . LEU . 6716 1 29 . VAL . 6716 1 30 . VAL . 6716 1 31 . GLN . 6716 1 32 . GLU . 6716 1 33 . ARG . 6716 1 34 . ILE . 6716 1 35 . GLY . 6716 1 36 . GLY . 6716 1 37 . ARG . 6716 1 38 . PHE . 6716 1 39 . ASN . 6716 1 40 . ILE . 6716 1 41 . GLU . 6716 1 42 . GLU . 6716 1 43 . HIS . 6716 1 44 . ARG . 6716 1 45 . ALA . 6716 1 46 . LEU . 6716 1 47 . ALA . 6716 1 48 . ALA . 6716 1 49 . TYR . 6716 1 50 . ILE . 6716 1 51 . TYR . 6716 1 52 . ALA . 6716 1 53 . PHE . 6716 1 54 . TYR . 6716 1 55 . GLU . 6716 1 56 . GLU . 6716 1 57 . GLY . 6716 1 58 . HIS . 6716 1 59 . GLU . 6716 1 60 . ALA . 6716 1 61 . ASP . 6716 1 62 . PRO . 6716 1 63 . GLY . 6716 1 64 . ALA . 6716 1 65 . LEU . 6716 1 66 . ILE . 6716 1 67 . SER . 6716 1 68 . ARG . 6716 1 69 . ILE . 6716 1 70 . PRO . 6716 1 71 . GLY . 6716 1 72 . GLU . 6716 1 73 . LEU . 6716 1 74 . GLN . 6716 1 75 . PRO . 6716 1 76 . LEU . 6716 1 77 . ALA . 6716 1 78 . SER . 6716 1 79 . GLU . 6716 1 80 . LEU . 6716 1 81 . SER . 6716 1 82 . LEU . 6716 1 83 . LEU . 6716 1 84 . LEU . 6716 1 85 . ILE . 6716 1 86 . ALA . 6716 1 87 . ASP . 6716 1 88 . ASP . 6716 1 89 . VAL . 6716 1 90 . SER . 6716 1 91 . GLU . 6716 1 92 . GLN . 6716 1 93 . GLU . 6716 1 94 . LEU . 6716 1 95 . GLU . 6716 1 96 . ASP . 6716 1 97 . TYR . 6716 1 98 . ILE . 6716 1 99 . ARG . 6716 1 100 . HIS . 6716 1 101 . VAL . 6716 1 102 . LEU . 6716 1 103 . ASN . 6716 1 104 . ARG . 6716 1 105 . PRO . 6716 1 106 . LYS . 6716 1 107 . TRP . 6716 1 108 . LEU . 6716 1 109 . MET . 6716 1 110 . LEU . 6716 1 111 . LYS . 6716 1 112 . VAL . 6716 1 113 . LYS . 6716 1 114 . GLU . 6716 1 115 . GLN . 6716 1 116 . GLU . 6716 1 117 . LYS . 6716 1 118 . THR . 6716 1 119 . GLU . 6716 1 120 . ALA . 6716 1 121 . GLU . 6716 1 122 . ARG . 6716 1 123 . ARG . 6716 1 124 . LYS . 6716 1 125 . ASP . 6716 1 126 . PHE . 6716 1 127 . LEU . 6716 1 128 . THR . 6716 1 129 . ALA . 6716 1 130 . ALA . 6716 1 131 . ARG . 6716 1 132 . ILE . 6716 1 133 . ALA . 6716 1 134 . LYS . 6716 1 135 . GLU . 6716 1 136 . MET . 6716 1 137 . ILE . 6716 1 138 . GLU . 6716 1 139 . MET . 6716 1 140 . LYS . 6716 1 141 . LYS . 6716 1 142 . MET . 6716 1 143 . LEU . 6716 1 144 . SER . 6716 1 145 . SER . 6716 1 146 . SER . 6716 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6716 1 . ALA 2 2 6716 1 . LYS 3 3 6716 1 . LYS 4 4 6716 1 . LEU 5 5 6716 1 . LEU 6 6 6716 1 . PRO 7 7 6716 1 . ALA 8 8 6716 1 . PHE 9 9 6716 1 . GLN 10 10 6716 1 . ASN 11 11 6716 1 . ALA 12 12 6716 1 . GLU 13 13 6716 1 . ARG 14 14 6716 1 . LEU 15 15 6716 1 . LEU 16 16 6716 1 . LEU 17 17 6716 1 . ALA 18 18 6716 1 . HIS 19 19 6716 1 . MET 20 20 6716 1 . MET 21 21 6716 1 . ARG 22 22 6716 1 . SER 23 23 6716 1 . ARG 24 24 6716 1 . ASP 25 25 6716 1 . VAL 26 26 6716 1 . ALA 27 27 6716 1 . LEU 28 28 6716 1 . VAL 29 29 6716 1 . VAL 30 30 6716 1 . GLN 31 31 6716 1 . GLU 32 32 6716 1 . ARG 33 33 6716 1 . ILE 34 34 6716 1 . GLY 35 35 6716 1 . GLY 36 36 6716 1 . ARG 37 37 6716 1 . PHE 38 38 6716 1 . ASN 39 39 6716 1 . ILE 40 40 6716 1 . GLU 41 41 6716 1 . GLU 42 42 6716 1 . HIS 43 43 6716 1 . ARG 44 44 6716 1 . ALA 45 45 6716 1 . LEU 46 46 6716 1 . ALA 47 47 6716 1 . ALA 48 48 6716 1 . TYR 49 49 6716 1 . ILE 50 50 6716 1 . TYR 51 51 6716 1 . ALA 52 52 6716 1 . PHE 53 53 6716 1 . TYR 54 54 6716 1 . GLU 55 55 6716 1 . GLU 56 56 6716 1 . GLY 57 57 6716 1 . HIS 58 58 6716 1 . GLU 59 59 6716 1 . ALA 60 60 6716 1 . ASP 61 61 6716 1 . PRO 62 62 6716 1 . GLY 63 63 6716 1 . ALA 64 64 6716 1 . LEU 65 65 6716 1 . ILE 66 66 6716 1 . SER 67 67 6716 1 . ARG 68 68 6716 1 . ILE 69 69 6716 1 . PRO 70 70 6716 1 . GLY 71 71 6716 1 . GLU 72 72 6716 1 . LEU 73 73 6716 1 . GLN 74 74 6716 1 . PRO 75 75 6716 1 . LEU 76 76 6716 1 . ALA 77 77 6716 1 . SER 78 78 6716 1 . GLU 79 79 6716 1 . LEU 80 80 6716 1 . SER 81 81 6716 1 . LEU 82 82 6716 1 . LEU 83 83 6716 1 . LEU 84 84 6716 1 . ILE 85 85 6716 1 . ALA 86 86 6716 1 . ASP 87 87 6716 1 . ASP 88 88 6716 1 . VAL 89 89 6716 1 . SER 90 90 6716 1 . GLU 91 91 6716 1 . GLN 92 92 6716 1 . GLU 93 93 6716 1 . LEU 94 94 6716 1 . GLU 95 95 6716 1 . ASP 96 96 6716 1 . TYR 97 97 6716 1 . ILE 98 98 6716 1 . ARG 99 99 6716 1 . HIS 100 100 6716 1 . VAL 101 101 6716 1 . LEU 102 102 6716 1 . ASN 103 103 6716 1 . ARG 104 104 6716 1 . PRO 105 105 6716 1 . LYS 106 106 6716 1 . TRP 107 107 6716 1 . LEU 108 108 6716 1 . MET 109 109 6716 1 . LEU 110 110 6716 1 . LYS 111 111 6716 1 . VAL 112 112 6716 1 . LYS 113 113 6716 1 . GLU 114 114 6716 1 . GLN 115 115 6716 1 . GLU 116 116 6716 1 . LYS 117 117 6716 1 . THR 118 118 6716 1 . GLU 119 119 6716 1 . ALA 120 120 6716 1 . GLU 121 121 6716 1 . ARG 122 122 6716 1 . ARG 123 123 6716 1 . LYS 124 124 6716 1 . ASP 125 125 6716 1 . PHE 126 126 6716 1 . LEU 127 127 6716 1 . THR 128 128 6716 1 . ALA 129 129 6716 1 . ALA 130 130 6716 1 . ARG 131 131 6716 1 . ILE 132 132 6716 1 . ALA 133 133 6716 1 . LYS 134 134 6716 1 . GLU 135 135 6716 1 . MET 136 136 6716 1 . ILE 137 137 6716 1 . GLU 138 138 6716 1 . MET 139 139 6716 1 . LYS 140 140 6716 1 . LYS 141 141 6716 1 . MET 142 142 6716 1 . LEU 143 143 6716 1 . SER 144 144 6716 1 . SER 145 145 6716 1 . SER 146 146 6716 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 6716 _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 $DNA_primase . 1422 . . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 6716 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 6716 _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 $DNA_primase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6716 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6716 _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 'DNA primase' [U-15N] . . 1 $DNA_primase . . 1 . . mM . . . . 6716 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6716 1 3 'sodium chloride' . . . . . . . 200 . . mM . . . . 6716 1 4 H2O . . . . . . . 90 . . % . . . . 6716 1 5 D2O . . . . . . . 10 . . % . . . . 6716 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6716 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA primase' '[U-13C; U-15N]' . . 1 $DNA_primase . . 1 . . mM . . . . 6716 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6716 2 3 'sodium chloride' . . . . . . . 200 . . mM . . . . 6716 2 4 H2O . . . . . . . 90 . . % . . . . 6716 2 5 D2O . . . . . . . 10 . . % . . . . 6716 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6716 _Sample.ID 3 _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 'DNA primase' [U-15N] . . 1 $DNA_primase . . 0.5 . . mM . . . . 6716 3 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6716 3 3 'sodium chloride' . . . . . . . 200 . . mM . . . . 6716 3 4 H2O . . . . . . . 50 . . % . . . . 6716 3 5 D2O . . . . . . . 50 . . % . . . . 6716 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6716 _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' 220 . mM 6716 1 pH 6.8 . pH 6716 1 pressure 1 . atm 6716 1 temperature 298 . K 6716 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6716 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6716 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6716 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details 'Accelrys Inc., San Diego, CA' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6716 2 processing 6716 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6716 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger, et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6716 3 'structure solution' 6716 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6716 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6716 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 800 . . . 6716 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6716 _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 'simultaneously acquired 15N- and 13C-edited 3D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6716 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 6716 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'simultaneously acquired 15N- and 13C-edited 3D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6716 _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 . . . . . . ppm . . . . . . . . . . . . . 6716 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 6716 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6716 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6716 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6716 1 . . 2 $sample_2 . 6716 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 179.499 . . . . . . . . . . . 6716 1 2 . 1 1 1 1 MET CA C 13 57.777 . . . . . . . . . . . 6716 1 3 . 1 1 2 2 ALA H H 1 8.279 . . . . . . . . . . . 6716 1 4 . 1 1 2 2 ALA HA H 1 4.096404 . . . . . . . . . . . 6716 1 5 . 1 1 2 2 ALA HB1 H 1 1.527047 . . . . . . . . . . . 6716 1 6 . 1 1 2 2 ALA HB2 H 1 1.527047 . . . . . . . . . . . 6716 1 7 . 1 1 2 2 ALA HB3 H 1 1.527047 . . . . . . . . . . . 6716 1 8 . 1 1 2 2 ALA C C 13 176.978 . . . . . . . . . . . 6716 1 9 . 1 1 2 2 ALA CA C 13 52.162 . . . . . . . . . . . 6716 1 10 . 1 1 2 2 ALA CB C 13 20.191 . . . . . . . . . . . 6716 1 11 . 1 1 2 2 ALA N N 15 118.352 . . . . . . . . . . . 6716 1 12 . 1 1 3 3 LYS C C 13 176.235 . . . . . . . . . . . 6716 1 13 . 1 1 3 3 LYS CA C 13 56.372 . . . . . . . . . . . 6716 1 14 . 1 1 3 3 LYS CB C 13 33.184 . . . . . . . . . . . 6716 1 15 . 1 1 4 4 LYS H H 1 8.433 . . . . . . . . . . . 6716 1 16 . 1 1 4 4 LYS HA H 1 4.332462 . . . . . . . . . . . 6716 1 17 . 1 1 4 4 LYS HB2 H 1 1.773577 . . . . . . . . . . . 6716 1 18 . 1 1 4 4 LYS HB3 H 1 1.773577 . . . . . . . . . . . 6716 1 19 . 1 1 4 4 LYS HG2 H 1 1.443718 . . . . . . . . . . . 6716 1 20 . 1 1 4 4 LYS HG3 H 1 1.443718 . . . . . . . . . . . 6716 1 21 . 1 1 4 4 LYS HD2 H 1 1.700626 . . . . . . . . . . . 6716 1 22 . 1 1 4 4 LYS HD3 H 1 1.700626 . . . . . . . . . . . 6716 1 23 . 1 1 4 4 LYS HE2 H 1 3.013347 . . . . . . . . . . . 6716 1 24 . 1 1 4 4 LYS HE3 H 1 3.013347 . . . . . . . . . . . 6716 1 25 . 1 1 4 4 LYS C C 13 175.96 . . . . . . . . . . . 6716 1 26 . 1 1 4 4 LYS CA C 13 56.3435 . . . . . . . . . . . 6716 1 27 . 1 1 4 4 LYS CB C 13 33.166 . . . . . . . . . . . 6716 1 28 . 1 1 4 4 LYS CG C 13 24.95684 . . . . . . . . . . . 6716 1 29 . 1 1 4 4 LYS CD C 13 29.41511 . . . . . . . . . . . 6716 1 30 . 1 1 4 4 LYS CE C 13 42.31261 . . . . . . . . . . . 6716 1 31 . 1 1 4 4 LYS N N 15 123.839 . . . . . . . . . . . 6716 1 32 . 1 1 5 5 LEU H H 1 8.367 . . . . . . . . . . . 6716 1 33 . 1 1 5 5 LEU HA H 1 4.390772 . . . . . . . . . . . 6716 1 34 . 1 1 5 5 LEU HB2 H 1 1.566426 . . . . . . . . . . . 6716 1 35 . 1 1 5 5 LEU HB3 H 1 1.612248 . . . . . . . . . . . 6716 1 36 . 1 1 5 5 LEU HG H 1 1.597455 . . . . . . . . . . . 6716 1 37 . 1 1 5 5 LEU HD11 H 1 0.8653957 . . . . . . . . . . . 6716 1 38 . 1 1 5 5 LEU HD12 H 1 0.8653957 . . . . . . . . . . . 6716 1 39 . 1 1 5 5 LEU HD13 H 1 0.8653957 . . . . . . . . . . . 6716 1 40 . 1 1 5 5 LEU HD21 H 1 0.9251203 . . . . . . . . . . . 6716 1 41 . 1 1 5 5 LEU HD22 H 1 0.9251203 . . . . . . . . . . . 6716 1 42 . 1 1 5 5 LEU HD23 H 1 0.9251203 . . . . . . . . . . . 6716 1 43 . 1 1 5 5 LEU C C 13 176.687 . . . . . . . . . . . 6716 1 44 . 1 1 5 5 LEU CA C 13 54.8535 . . . . . . . . . . . 6716 1 45 . 1 1 5 5 LEU CB C 13 42.289 . . . . . . . . . . . 6716 1 46 . 1 1 5 5 LEU CG C 13 26.95139 . . . . . . . . . . . 6716 1 47 . 1 1 5 5 LEU CD1 C 13 23.76615 . . . . . . . . . . . 6716 1 48 . 1 1 5 5 LEU CD2 C 13 24.969 . . . . . . . . . . . 6716 1 49 . 1 1 5 5 LEU N N 15 125.009 . . . . . . . . . . . 6716 1 50 . 1 1 6 6 LEU H H 1 8.324 . . . . . . . . . . . 6716 1 51 . 1 1 6 6 LEU HA H 1 4.596334 . . . . . . . . . . . 6716 1 52 . 1 1 6 6 LEU HB2 H 1 1.182477 . . . . . . . . . . . 6716 1 53 . 1 1 6 6 LEU HB3 H 1 1.552201 . . . . . . . . . . . 6716 1 54 . 1 1 6 6 LEU HG H 1 1.603774 . . . . . . . . . . . 6716 1 55 . 1 1 6 6 LEU HD11 H 1 0.772909 . . . . . . . . . . . 6716 1 56 . 1 1 6 6 LEU HD12 H 1 0.772909 . . . . . . . . . . . 6716 1 57 . 1 1 6 6 LEU HD13 H 1 0.772909 . . . . . . . . . . . 6716 1 58 . 1 1 6 6 LEU HD21 H 1 0.772909 . . . . . . . . . . . 6716 1 59 . 1 1 6 6 LEU HD22 H 1 0.772909 . . . . . . . . . . . 6716 1 60 . 1 1 6 6 LEU HD23 H 1 0.772909 . . . . . . . . . . . 6716 1 61 . 1 1 6 6 LEU C C 13 174.61 . . . . . . . . . . . 6716 1 62 . 1 1 6 6 LEU CA C 13 52.699 . . . . . . . . . . . 6716 1 63 . 1 1 6 6 LEU CB C 13 41.951 . . . . . . . . . . . 6716 1 64 . 1 1 6 6 LEU CG C 13 26.64600 . . . . . . . . . . . 6716 1 65 . 1 1 6 6 LEU CD1 C 13 22.75447 . . . . . . . . . . . 6716 1 66 . 1 1 6 6 LEU CD2 C 13 22.75447 . . . . . . . . . . . 6716 1 67 . 1 1 6 6 LEU N N 15 124.567 . . . . . . . . . . . 6716 1 68 . 1 1 7 7 PRO HA H 1 4.471601 . . . . . . . . . . . 6716 1 69 . 1 1 7 7 PRO HB2 H 1 2.578794 . . . . . . . . . . . 6716 1 70 . 1 1 7 7 PRO HB3 H 1 1.775081 . . . . . . . . . . . 6716 1 71 . 1 1 7 7 PRO HG2 H 1 1.955222 . . . . . . . . . . . 6716 1 72 . 1 1 7 7 PRO HG3 H 1 2.153491 . . . . . . . . . . . 6716 1 73 . 1 1 7 7 PRO HD2 H 1 3.617219 . . . . . . . . . . . 6716 1 74 . 1 1 7 7 PRO HD3 H 1 3.829965 . . . . . . . . . . . 6716 1 75 . 1 1 7 7 PRO C C 13 176.194 . . . . . . . . . . . 6716 1 76 . 1 1 7 7 PRO CA C 13 66.498 . . . . . . . . . . . 6716 1 77 . 1 1 7 7 PRO CB C 13 32.76 . . . . . . . . . . . 6716 1 78 . 1 1 7 7 PRO CG C 13 27.906 . . . . . . . . . . . 6716 1 79 . 1 1 7 7 PRO CD C 13 50.19 . . . . . . . . . . . 6716 1 80 . 1 1 8 8 ALA H H 1 7.921 . . . . . . . . . . . 6716 1 81 . 1 1 8 8 ALA HA H 1 3.928651 . . . . . . . . . . . 6716 1 82 . 1 1 8 8 ALA HB1 H 1 1.610784 . . . . . . . . . . . 6716 1 83 . 1 1 8 8 ALA HB2 H 1 1.610784 . . . . . . . . . . . 6716 1 84 . 1 1 8 8 ALA HB3 H 1 1.610784 . . . . . . . . . . . 6716 1 85 . 1 1 8 8 ALA C C 13 178.375 . . . . . . . . . . . 6716 1 86 . 1 1 8 8 ALA CA C 13 56.49 . . . . . . . . . . . 6716 1 87 . 1 1 8 8 ALA CB C 13 18.962 . . . . . . . . . . . 6716 1 88 . 1 1 8 8 ALA N N 15 121.866 . . . . . . . . . . . 6716 1 89 . 1 1 9 9 PHE HD1 H 1 6.884125 . . . . . . . . . . . 6716 1 90 . 1 1 9 9 PHE HD2 H 1 6.884125 . . . . . . . . . . . 6716 1 91 . 1 1 9 9 PHE HE1 H 1 7.770356 . . . . . . . . . . . 6716 1 92 . 1 1 9 9 PHE HE2 H 1 7.770356 . . . . . . . . . . . 6716 1 93 . 1 1 9 9 PHE C C 13 175.047 . . . . . . . . . . . 6716 1 94 . 1 1 9 9 PHE CD1 C 13 133.93 . . . . . . . . . . . 6716 1 95 . 1 1 9 9 PHE CD2 C 13 133.93 . . . . . . . . . . . 6716 1 96 . 1 1 9 9 PHE CE1 C 13 133.93 . . . . . . . . . . . 6716 1 97 . 1 1 9 9 PHE CE2 C 13 133.93 . . . . . . . . . . . 6716 1 98 . 1 1 10 10 GLN H H 1 6.275 . . . . . . . . . . . 6716 1 99 . 1 1 10 10 GLN HA H 1 3.480757 . . . . . . . . . . . 6716 1 100 . 1 1 10 10 GLN HB2 H 1 2.023567 . . . . . . . . . . . 6716 1 101 . 1 1 10 10 GLN HB3 H 1 2.023567 . . . . . . . . . . . 6716 1 102 . 1 1 10 10 GLN HG2 H 1 2.019293 . . . . . . . . . . . 6716 1 103 . 1 1 10 10 GLN HG3 H 1 2.019293 . . . . . . . . . . . 6716 1 104 . 1 1 10 10 GLN HE21 H 1 6.874385 . . . . . . . . . . . 6716 1 105 . 1 1 10 10 GLN HE22 H 1 7.399172 . . . . . . . . . . . 6716 1 106 . 1 1 10 10 GLN C C 13 178.041 . . . . . . . . . . . 6716 1 107 . 1 1 10 10 GLN CA C 13 58.884 . . . . . . . . . . . 6716 1 108 . 1 1 10 10 GLN CB C 13 27.385 . . . . . . . . . . . 6716 1 109 . 1 1 10 10 GLN CG C 13 33.68642 . . . . . . . . . . . 6716 1 110 . 1 1 10 10 GLN N N 15 123.37 . . . . . . . . . . . 6716 1 111 . 1 1 10 10 GLN NE2 N 15 109.28 . . . . . . . . . . . 6716 1 112 . 1 1 11 11 ASN H H 1 7.706 . . . . . . . . . . . 6716 1 113 . 1 1 11 11 ASN HA H 1 4.324762 . . . . . . . . . . . 6716 1 114 . 1 1 11 11 ASN HB2 H 1 2.599853 . . . . . . . . . . . 6716 1 115 . 1 1 11 11 ASN HB3 H 1 2.750945 . . . . . . . . . . . 6716 1 116 . 1 1 11 11 ASN C C 13 176.19 . . . . . . . . . . . 6716 1 117 . 1 1 11 11 ASN CA C 13 56.732 . . . . . . . . . . . 6716 1 118 . 1 1 11 11 ASN CB C 13 38.8225 . . . . . . . . . . . 6716 1 119 . 1 1 11 11 ASN N N 15 117.794 . . . . . . . . . . . 6716 1 120 . 1 1 12 12 ALA H H 1 7.986 . . . . . . . . . . . 6716 1 121 . 1 1 12 12 ALA HA H 1 3.827595 . . . . . . . . . . . 6716 1 122 . 1 1 12 12 ALA HB1 H 1 1.776932 . . . . . . . . . . . 6716 1 123 . 1 1 12 12 ALA HB2 H 1 1.776932 . . . . . . . . . . . 6716 1 124 . 1 1 12 12 ALA HB3 H 1 1.776932 . . . . . . . . . . . 6716 1 125 . 1 1 12 12 ALA C C 13 178.723 . . . . . . . . . . . 6716 1 126 . 1 1 12 12 ALA CA C 13 55.565 . . . . . . . . . . . 6716 1 127 . 1 1 12 12 ALA CB C 13 18.8625 . . . . . . . . . . . 6716 1 128 . 1 1 12 12 ALA N N 15 119.807 . . . . . . . . . . . 6716 1 129 . 1 1 13 13 GLU H H 1 7.976 . . . . . . . . . . . 6716 1 130 . 1 1 13 13 GLU HA H 1 3.913054 . . . . . . . . . . . 6716 1 131 . 1 1 13 13 GLU C C 13 177.941 . . . . . . . . . . . 6716 1 132 . 1 1 13 13 GLU CA C 13 61.705 . . . . . . . . . . . 6716 1 133 . 1 1 13 13 GLU CB C 13 31.304 . . . . . . . . . . . 6716 1 134 . 1 1 13 13 GLU N N 15 114.991 . . . . . . . . . . . 6716 1 135 . 1 1 14 14 ARG H H 1 7.74 . . . . . . . . . . . 6716 1 136 . 1 1 14 14 ARG HA H 1 3.449456 . . . . . . . . . . . 6716 1 137 . 1 1 14 14 ARG C C 13 177.383 . . . . . . . . . . . 6716 1 138 . 1 1 14 14 ARG CA C 13 59.641 . . . . . . . . . . . 6716 1 139 . 1 1 14 14 ARG N N 15 116.63 . . . . . . . . . . . 6716 1 140 . 1 1 15 15 LEU H H 1 7.943 . . . . . . . . . . . 6716 1 141 . 1 1 15 15 LEU HA H 1 3.852453 . . . . . . . . . . . 6716 1 142 . 1 1 15 15 LEU HB2 H 1 1.029097 . . . . . . . . . . . 6716 1 143 . 1 1 15 15 LEU HB3 H 1 1.394467 . . . . . . . . . . . 6716 1 144 . 1 1 15 15 LEU HD11 H 1 0.7834212 . . . . . . . . . . . 6716 1 145 . 1 1 15 15 LEU HD12 H 1 0.7834212 . . . . . . . . . . . 6716 1 146 . 1 1 15 15 LEU HD13 H 1 0.7834212 . . . . . . . . . . . 6716 1 147 . 1 1 15 15 LEU HD21 H 1 0.7702662 . . . . . . . . . . . 6716 1 148 . 1 1 15 15 LEU HD22 H 1 0.7702662 . . . . . . . . . . . 6716 1 149 . 1 1 15 15 LEU HD23 H 1 0.7702662 . . . . . . . . . . . 6716 1 150 . 1 1 15 15 LEU C C 13 177.335 . . . . . . . . . . . 6716 1 151 . 1 1 15 15 LEU CA C 13 57.712 . . . . . . . . . . . 6716 1 152 . 1 1 15 15 LEU CB C 13 41.20 . . . . . . . . . . . 6716 1 153 . 1 1 15 15 LEU CD1 C 13 25.206 . . . . . . . . . . . 6716 1 154 . 1 1 15 15 LEU CD2 C 13 23.056 . . . . . . . . . . . 6716 1 155 . 1 1 15 15 LEU N N 15 118.221 . . . . . . . . . . . 6716 1 156 . 1 1 16 16 LEU H H 1 8.294793 . . . . . . . . . . . 6716 1 157 . 1 1 16 16 LEU HA H 1 4.04235 . . . . . . . . . . . 6716 1 158 . 1 1 16 16 LEU HB2 H 1 1.588833 . . . . . . . . . . . 6716 1 159 . 1 1 16 16 LEU HB3 H 1 2.226693 . . . . . . . . . . . 6716 1 160 . 1 1 16 16 LEU HG H 1 1.991036 . . . . . . . . . . . 6716 1 161 . 1 1 16 16 LEU HD11 H 1 0.8636099 . . . . . . . . . . . 6716 1 162 . 1 1 16 16 LEU HD12 H 1 0.8636099 . . . . . . . . . . . 6716 1 163 . 1 1 16 16 LEU HD13 H 1 0.8636099 . . . . . . . . . . . 6716 1 164 . 1 1 16 16 LEU HD21 H 1 1.010077 . . . . . . . . . . . 6716 1 165 . 1 1 16 16 LEU HD22 H 1 1.010077 . . . . . . . . . . . 6716 1 166 . 1 1 16 16 LEU HD23 H 1 1.010077 . . . . . . . . . . . 6716 1 167 . 1 1 16 16 LEU C C 13 179.034 . . . . . . . . . . . 6716 1 168 . 1 1 16 16 LEU CA C 13 58.502 . . . . . . . . . . . 6716 1 169 . 1 1 16 16 LEU CB C 13 42.503 . . . . . . . . . . . 6716 1 170 . 1 1 16 16 LEU CG C 13 26.46608 . . . . . . . . . . . 6716 1 171 . 1 1 16 16 LEU CD1 C 13 26.46608 . . . . . . . . . . . 6716 1 172 . 1 1 16 16 LEU CD2 C 13 23.95608 . . . . . . . . . . . 6716 1 173 . 1 1 16 16 LEU N N 15 118.58 . . . . . . . . . . . 6716 1 174 . 1 1 17 17 LEU H H 1 8.275 . . . . . . . . . . . 6716 1 175 . 1 1 17 17 LEU HA H 1 4.265402 . . . . . . . . . . . 6716 1 176 . 1 1 17 17 LEU HB2 H 1 1.86811 . . . . . . . . . . . 6716 1 177 . 1 1 17 17 LEU HB3 H 1 1.86811 . . . . . . . . . . . 6716 1 178 . 1 1 17 17 LEU HG H 1 1.613318 . . . . . . . . . . . 6716 1 179 . 1 1 17 17 LEU HD11 H 1 0.1462541 . . . . . . . . . . . 6716 1 180 . 1 1 17 17 LEU HD12 H 1 0.1462541 . . . . . . . . . . . 6716 1 181 . 1 1 17 17 LEU HD13 H 1 0.1462541 . . . . . . . . . . . 6716 1 182 . 1 1 17 17 LEU HD21 H 1 0.3949399 . . . . . . . . . . . 6716 1 183 . 1 1 17 17 LEU HD22 H 1 0.3949399 . . . . . . . . . . . 6716 1 184 . 1 1 17 17 LEU HD23 H 1 0.3949399 . . . . . . . . . . . 6716 1 185 . 1 1 17 17 LEU C C 13 178.876 . . . . . . . . . . . 6716 1 186 . 1 1 17 17 LEU CA C 13 58.469 . . . . . . . . . . . 6716 1 187 . 1 1 17 17 LEU CB C 13 42.820 . . . . . . . . . . . 6716 1 188 . 1 1 17 17 LEU CG C 13 27.006 . . . . . . . . . . . 6716 1 189 . 1 1 17 17 LEU CD1 C 13 25.206 . . . . . . . . . . . 6716 1 190 . 1 1 17 17 LEU CD2 C 13 23.416 . . . . . . . . . . . 6716 1 191 . 1 1 17 17 LEU N N 15 119.46 . . . . . . . . . . . 6716 1 192 . 1 1 18 18 ALA H H 1 8.365 . . . . . . . . . . . 6716 1 193 . 1 1 18 18 ALA HA H 1 3.830294 . . . . . . . . . . . 6716 1 194 . 1 1 18 18 ALA HB1 H 1 1.45379 . . . . . . . . . . . 6716 1 195 . 1 1 18 18 ALA HB2 H 1 1.45379 . . . . . . . . . . . 6716 1 196 . 1 1 18 18 ALA HB3 H 1 1.45379 . . . . . . . . . . . 6716 1 197 . 1 1 18 18 ALA C C 13 181.359 . . . . . . . . . . . 6716 1 198 . 1 1 18 18 ALA CA C 13 55.8405 . . . . . . . . . . . 6716 1 199 . 1 1 18 18 ALA CB C 13 18.8345 . . . . . . . . . . . 6716 1 200 . 1 1 18 18 ALA N N 15 121.107 . . . . . . . . . . . 6716 1 201 . 1 1 19 19 HIS H H 1 8.589 . . . . . . . . . . . 6716 1 202 . 1 1 19 19 HIS HA H 1 4.238986 . . . . . . . . . . . 6716 1 203 . 1 1 19 19 HIS HB2 H 1 3.049929 . . . . . . . . . . . 6716 1 204 . 1 1 19 19 HIS HB3 H 1 3.41431 . . . . . . . . . . . 6716 1 205 . 1 1 19 19 HIS C C 13 179.611 . . . . . . . . . . . 6716 1 206 . 1 1 19 19 HIS CA C 13 61.197 . . . . . . . . . . . 6716 1 207 . 1 1 19 19 HIS CB C 13 31.112 . . . . . . . . . . . 6716 1 208 . 1 1 19 19 HIS N N 15 117.18 . . . . . . . . . . . 6716 1 209 . 1 1 20 20 MET H H 1 9.142 . . . . . . . . . . . 6716 1 210 . 1 1 20 20 MET HA H 1 4.202978 . . . . . . . . . . . 6716 1 211 . 1 1 20 20 MET HG2 H 1 3.211114 . . . . . . . . . . . 6716 1 212 . 1 1 20 20 MET HG3 H 1 3.211114 . . . . . . . . . . . 6716 1 213 . 1 1 20 20 MET HE1 H 1 2.212279 . . . . . . . . . . . 6716 1 214 . 1 1 20 20 MET HE2 H 1 2.212279 . . . . . . . . . . . 6716 1 215 . 1 1 20 20 MET HE3 H 1 2.212279 . . . . . . . . . . . 6716 1 216 . 1 1 20 20 MET C C 13 177.785 . . . . . . . . . . . 6716 1 217 . 1 1 20 20 MET CA C 13 59.2725 . . . . . . . . . . . 6716 1 218 . 1 1 20 20 MET CG C 13 32.94 . . . . . . . . . . . 6716 1 219 . 1 1 20 20 MET CE C 13 16.93191 . . . . . . . . . . . 6716 1 220 . 1 1 20 20 MET N N 15 120.263 . . . . . . . . . . . 6716 1 221 . 1 1 21 21 MET H H 1 7.984 . . . . . . . . . . . 6716 1 222 . 1 1 21 21 MET HA H 1 3.898573 . . . . . . . . . . . 6716 1 223 . 1 1 21 21 MET HG2 H 1 3.003908 . . . . . . . . . . . 6716 1 224 . 1 1 21 21 MET HG3 H 1 3.003908 . . . . . . . . . . . 6716 1 225 . 1 1 21 21 MET HE1 H 1 1.994372 . . . . . . . . . . . 6716 1 226 . 1 1 21 21 MET HE2 H 1 1.994372 . . . . . . . . . . . 6716 1 227 . 1 1 21 21 MET HE3 H 1 1.994372 . . . . . . . . . . . 6716 1 228 . 1 1 21 21 MET C C 13 175.202 . . . . . . . . . . . 6716 1 229 . 1 1 21 21 MET CA C 13 59.07 . . . . . . . . . . . 6716 1 230 . 1 1 21 21 MET CB C 13 33.418 . . . . . . . . . . . 6716 1 231 . 1 1 21 21 MET CG C 13 32.76 . . . . . . . . . . . 6716 1 232 . 1 1 21 21 MET CE C 13 16.766 . . . . . . . . . . . 6716 1 233 . 1 1 21 21 MET N N 15 116.007 . . . . . . . . . . . 6716 1 234 . 1 1 22 22 ARG H H 1 7.144 . . . . . . . . . . . 6716 1 235 . 1 1 22 22 ARG HA H 1 4.473684 . . . . . . . . . . . 6716 1 236 . 1 1 22 22 ARG HB2 H 1 1.844129 . . . . . . . . . . . 6716 1 237 . 1 1 22 22 ARG HB3 H 1 2.127055 . . . . . . . . . . . 6716 1 238 . 1 1 22 22 ARG HD2 H 1 3.179117 . . . . . . . . . . . 6716 1 239 . 1 1 22 22 ARG HD3 H 1 3.237928 . . . . . . . . . . . 6716 1 240 . 1 1 22 22 ARG C C 13 175.923 . . . . . . . . . . . 6716 1 241 . 1 1 22 22 ARG CA C 13 56.3815 . . . . . . . . . . . 6716 1 242 . 1 1 22 22 ARG CB C 13 32.234 . . . . . . . . . . . 6716 1 243 . 1 1 22 22 ARG CD C 13 43.36 . . . . . . . . . . . 6716 1 244 . 1 1 22 22 ARG N N 15 113.549 . . . . . . . . . . . 6716 1 245 . 1 1 23 23 SER H H 1 7.63 . . . . . . . . . . . 6716 1 246 . 1 1 23 23 SER HA H 1 4.214417 . . . . . . . . . . . 6716 1 247 . 1 1 23 23 SER HB2 H 1 3.80182 . . . . . . . . . . . 6716 1 248 . 1 1 23 23 SER HB3 H 1 4.020144 . . . . . . . . . . . 6716 1 249 . 1 1 23 23 SER C C 13 173.29 . . . . . . . . . . . 6716 1 250 . 1 1 23 23 SER CA C 13 56.5025 . . . . . . . . . . . 6716 1 251 . 1 1 23 23 SER CB C 13 63.719 . . . . . . . . . . . 6716 1 252 . 1 1 23 23 SER N N 15 114.169 . . . . . . . . . . . 6716 1 253 . 1 1 24 24 ARG H H 1 8.875 . . . . . . . . . . . 6716 1 254 . 1 1 24 24 ARG HA H 1 2.871917 . . . . . . . . . . . 6716 1 255 . 1 1 24 24 ARG HB2 H 1 1.665919 . . . . . . . . . . . 6716 1 256 . 1 1 24 24 ARG HB3 H 1 1.665919 . . . . . . . . . . . 6716 1 257 . 1 1 24 24 ARG HG2 H 1 1.527229 . . . . . . . . . . . 6716 1 258 . 1 1 24 24 ARG HG3 H 1 1.527229 . . . . . . . . . . . 6716 1 259 . 1 1 24 24 ARG C C 13 177.127 . . . . . . . . . . . 6716 1 260 . 1 1 24 24 ARG CA C 13 59.015 . . . . . . . . . . . 6716 1 261 . 1 1 24 24 ARG CB C 13 30.7725 . . . . . . . . . . . 6716 1 262 . 1 1 24 24 ARG N N 15 131.6 . . . . . . . . . . . 6716 1 263 . 1 1 25 25 ASP H H 1 8 . . . . . . . . . . . 6716 1 264 . 1 1 25 25 ASP HA H 1 4.296156 . . . . . . . . . . . 6716 1 265 . 1 1 25 25 ASP HB2 H 1 2.457818 . . . . . . . . . . . 6716 1 266 . 1 1 25 25 ASP HB3 H 1 2.676858 . . . . . . . . . . . 6716 1 267 . 1 1 25 25 ASP C C 13 179.559 . . . . . . . . . . . 6716 1 268 . 1 1 25 25 ASP CA C 13 57.9095 . . . . . . . . . . . 6716 1 269 . 1 1 25 25 ASP CB C 13 40.4895 . . . . . . . . . . . 6716 1 270 . 1 1 25 25 ASP N N 15 116.854 . . . . . . . . . . . 6716 1 271 . 1 1 26 26 VAL H H 1 7.793 . . . . . . . . . . . 6716 1 272 . 1 1 26 26 VAL HA H 1 3.594447 . . . . . . . . . . . 6716 1 273 . 1 1 26 26 VAL HB H 1 2.049613 . . . . . . . . . . . 6716 1 274 . 1 1 26 26 VAL HG11 H 1 0.9326496 . . . . . . . . . . . 6716 1 275 . 1 1 26 26 VAL HG12 H 1 0.9326496 . . . . . . . . . . . 6716 1 276 . 1 1 26 26 VAL HG13 H 1 0.9326496 . . . . . . . . . . . 6716 1 277 . 1 1 26 26 VAL HG21 H 1 1.10348 . . . . . . . . . . . 6716 1 278 . 1 1 26 26 VAL HG22 H 1 1.10348 . . . . . . . . . . . 6716 1 279 . 1 1 26 26 VAL HG23 H 1 1.10348 . . . . . . . . . . . 6716 1 280 . 1 1 26 26 VAL C C 13 178.341 . . . . . . . . . . . 6716 1 281 . 1 1 26 26 VAL CA C 13 66.271 . . . . . . . . . . . 6716 1 282 . 1 1 26 26 VAL CB C 13 31.97 . . . . . . . . . . . 6716 1 283 . 1 1 26 26 VAL CG1 C 13 21.83064 . . . . . . . . . . . 6716 1 284 . 1 1 26 26 VAL CG2 C 13 22.88352 . . . . . . . . . . . 6716 1 285 . 1 1 26 26 VAL N N 15 119.249 . . . . . . . . . . . 6716 1 286 . 1 1 27 27 ALA H H 1 7.907 . . . . . . . . . . . 6716 1 287 . 1 1 27 27 ALA HA H 1 4.243582 . . . . . . . . . . . 6716 1 288 . 1 1 27 27 ALA HB1 H 1 1.73824 . . . . . . . . . . . 6716 1 289 . 1 1 27 27 ALA HB2 H 1 1.73824 . . . . . . . . . . . 6716 1 290 . 1 1 27 27 ALA HB3 H 1 1.73824 . . . . . . . . . . . 6716 1 291 . 1 1 27 27 ALA C C 13 179.085 . . . . . . . . . . . 6716 1 292 . 1 1 27 27 ALA CA C 13 56.9495 . . . . . . . . . . . 6716 1 293 . 1 1 27 27 ALA CB C 13 20.057 . . . . . . . . . . . 6716 1 294 . 1 1 27 27 ALA N N 15 120.823 . . . . . . . . . . . 6716 1 295 . 1 1 28 28 LEU H H 1 8.23 . . . . . . . . . . . 6716 1 296 . 1 1 28 28 LEU HA H 1 4.193088 . . . . . . . . . . . 6716 1 297 . 1 1 28 28 LEU HB2 H 1 1.623326 . . . . . . . . . . . 6716 1 298 . 1 1 28 28 LEU HB3 H 1 1.895301 . . . . . . . . . . . 6716 1 299 . 1 1 28 28 LEU HG H 1 1.861587 . . . . . . . . . . . 6716 1 300 . 1 1 28 28 LEU HD11 H 1 0.8817231 . . . . . . . . . . . 6716 1 301 . 1 1 28 28 LEU HD12 H 1 0.8817231 . . . . . . . . . . . 6716 1 302 . 1 1 28 28 LEU HD13 H 1 0.8817231 . . . . . . . . . . . 6716 1 303 . 1 1 28 28 LEU HD21 H 1 0.8968244 . . . . . . . . . . . 6716 1 304 . 1 1 28 28 LEU HD22 H 1 0.8968244 . . . . . . . . . . . 6716 1 305 . 1 1 28 28 LEU HD23 H 1 0.8968244 . . . . . . . . . . . 6716 1 306 . 1 1 28 28 LEU C C 13 180.581 . . . . . . . . . . . 6716 1 307 . 1 1 28 28 LEU CA C 13 58.223 . . . . . . . . . . . 6716 1 308 . 1 1 28 28 LEU CB C 13 40.927 . . . . . . . . . . . 6716 1 309 . 1 1 28 28 LEU CG C 13 27.17563 . . . . . . . . . . . 6716 1 310 . 1 1 28 28 LEU CD1 C 13 22.63596 . . . . . . . . . . . 6716 1 311 . 1 1 28 28 LEU CD2 C 13 25.10746 . . . . . . . . . . . 6716 1 312 . 1 1 28 28 LEU N N 15 117.404 . . . . . . . . . . . 6716 1 313 . 1 1 29 29 VAL H H 1 7.556 . . . . . . . . . . . 6716 1 314 . 1 1 29 29 VAL HA H 1 3.914 . . . . . . . . . . . 6716 1 315 . 1 1 29 29 VAL HB H 1 2.303163 . . . . . . . . . . . 6716 1 316 . 1 1 29 29 VAL HG11 H 1 0.9544232 . . . . . . . . . . . 6716 1 317 . 1 1 29 29 VAL HG12 H 1 0.9544232 . . . . . . . . . . . 6716 1 318 . 1 1 29 29 VAL HG13 H 1 0.9544232 . . . . . . . . . . . 6716 1 319 . 1 1 29 29 VAL HG21 H 1 1.119861 . . . . . . . . . . . 6716 1 320 . 1 1 29 29 VAL HG22 H 1 1.119861 . . . . . . . . . . . 6716 1 321 . 1 1 29 29 VAL HG23 H 1 1.119861 . . . . . . . . . . . 6716 1 322 . 1 1 29 29 VAL C C 13 178.518 . . . . . . . . . . . 6716 1 323 . 1 1 29 29 VAL CA C 13 66.5125 . . . . . . . . . . . 6716 1 324 . 1 1 29 29 VAL CB C 13 31.8385 . . . . . . . . . . . 6716 1 325 . 1 1 29 29 VAL CG1 C 13 21.22161 . . . . . . . . . . . 6716 1 326 . 1 1 29 29 VAL CG2 C 13 22.73759 . . . . . . . . . . . 6716 1 327 . 1 1 29 29 VAL N N 15 121.544 . . . . . . . . . . . 6716 1 328 . 1 1 30 30 VAL H H 1 8.677 . . . . . . . . . . . 6716 1 329 . 1 1 30 30 VAL HA H 1 3.452649 . . . . . . . . . . . 6716 1 330 . 1 1 30 30 VAL HB H 1 2.45454 . . . . . . . . . . . 6716 1 331 . 1 1 30 30 VAL HG11 H 1 1.589943 . . . . . . . . . . . 6716 1 332 . 1 1 30 30 VAL HG12 H 1 1.589943 . . . . . . . . . . . 6716 1 333 . 1 1 30 30 VAL HG13 H 1 1.589943 . . . . . . . . . . . 6716 1 334 . 1 1 30 30 VAL HG21 H 1 1.213312 . . . . . . . . . . . 6716 1 335 . 1 1 30 30 VAL HG22 H 1 1.213312 . . . . . . . . . . . 6716 1 336 . 1 1 30 30 VAL HG23 H 1 1.213312 . . . . . . . . . . . 6716 1 337 . 1 1 30 30 VAL C C 13 178.47 . . . . . . . . . . . 6716 1 338 . 1 1 30 30 VAL CA C 13 68.0995 . . . . . . . . . . . 6716 1 339 . 1 1 30 30 VAL CB C 13 32.193 . . . . . . . . . . . 6716 1 340 . 1 1 30 30 VAL CG1 C 13 22.68718 . . . . . . . . . . . 6716 1 341 . 1 1 30 30 VAL CG2 C 13 24.98319 . . . . . . . . . . . 6716 1 342 . 1 1 30 30 VAL N N 15 120.661 . . . . . . . . . . . 6716 1 343 . 1 1 31 31 GLN H H 1 9.187 . . . . . . . . . . . 6716 1 344 . 1 1 31 31 GLN HA H 1 4.231208 . . . . . . . . . . . 6716 1 345 . 1 1 31 31 GLN HB2 H 1 1.937699 . . . . . . . . . . . 6716 1 346 . 1 1 31 31 GLN HB3 H 1 1.937699 . . . . . . . . . . . 6716 1 347 . 1 1 31 31 GLN HG2 H 1 2.174619 . . . . . . . . . . . 6716 1 348 . 1 1 31 31 GLN HG3 H 1 2.174619 . . . . . . . . . . . 6716 1 349 . 1 1 31 31 GLN C C 13 176.939 . . . . . . . . . . . 6716 1 350 . 1 1 31 31 GLN CA C 13 60.1555 . . . . . . . . . . . 6716 1 351 . 1 1 31 31 GLN CB C 13 29.242 . . . . . . . . . . . 6716 1 352 . 1 1 31 31 GLN N N 15 123.069 . . . . . . . . . . . 6716 1 353 . 1 1 32 32 GLU H H 1 7.294 . . . . . . . . . . . 6716 1 354 . 1 1 32 32 GLU HA H 1 4.066493 . . . . . . . . . . . 6716 1 355 . 1 1 32 32 GLU HB2 H 1 2.169353 . . . . . . . . . . . 6716 1 356 . 1 1 32 32 GLU HB3 H 1 2.169353 . . . . . . . . . . . 6716 1 357 . 1 1 32 32 GLU HG2 H 1 2.228393 . . . . . . . . . . . 6716 1 358 . 1 1 32 32 GLU HG3 H 1 2.360006 . . . . . . . . . . . 6716 1 359 . 1 1 32 32 GLU C C 13 178.257 . . . . . . . . . . . 6716 1 360 . 1 1 32 32 GLU CA C 13 58.6915 . . . . . . . . . . . 6716 1 361 . 1 1 32 32 GLU CB C 13 30.2965 . . . . . . . . . . . 6716 1 362 . 1 1 32 32 GLU CG C 13 36.04736 . . . . . . . . . . . 6716 1 363 . 1 1 32 32 GLU N N 15 115.585 . . . . . . . . . . . 6716 1 364 . 1 1 33 33 ARG H H 1 8.457 . . . . . . . . . . . 6716 1 365 . 1 1 33 33 ARG HA H 1 4.26431 . . . . . . . . . . . 6716 1 366 . 1 1 33 33 ARG HB2 H 1 1.899843 . . . . . . . . . . . 6716 1 367 . 1 1 33 33 ARG HB3 H 1 1.899843 . . . . . . . . . . . 6716 1 368 . 1 1 33 33 ARG HG2 H 1 1.729216 . . . . . . . . . . . 6716 1 369 . 1 1 33 33 ARG HG3 H 1 1.729216 . . . . . . . . . . . 6716 1 370 . 1 1 33 33 ARG HD2 H 1 3.236374 . . . . . . . . . . . 6716 1 371 . 1 1 33 33 ARG HD3 H 1 3.236374 . . . . . . . . . . . 6716 1 372 . 1 1 33 33 ARG C C 13 176.877 . . . . . . . . . . . 6716 1 373 . 1 1 33 33 ARG CA C 13 57.0085 . . . . . . . . . . . 6716 1 374 . 1 1 33 33 ARG CB C 13 30.6125 . . . . . . . . . . . 6716 1 375 . 1 1 33 33 ARG CG C 13 27.52685 . . . . . . . . . . . 6716 1 376 . 1 1 33 33 ARG CD C 13 43.57298 . . . . . . . . . . . 6716 1 377 . 1 1 33 33 ARG N N 15 116.005 . . . . . . . . . . . 6716 1 378 . 1 1 34 34 ILE H H 1 8.99 . . . . . . . . . . . 6716 1 379 . 1 1 34 34 ILE HA H 1 4.048143 . . . . . . . . . . . 6716 1 380 . 1 1 34 34 ILE HB H 1 1.832891 . . . . . . . . . . . 6716 1 381 . 1 1 34 34 ILE HG12 H 1 1.425426 . . . . . . . . . . . 6716 1 382 . 1 1 34 34 ILE HG13 H 1 1.425426 . . . . . . . . . . . 6716 1 383 . 1 1 34 34 ILE HG21 H 1 0.0770036 . . . . . . . . . . . 6716 1 384 . 1 1 34 34 ILE HG22 H 1 0.0770036 . . . . . . . . . . . 6716 1 385 . 1 1 34 34 ILE HG23 H 1 0.0770036 . . . . . . . . . . . 6716 1 386 . 1 1 34 34 ILE HD11 H 1 0.7087921 . . . . . . . . . . . 6716 1 387 . 1 1 34 34 ILE HD12 H 1 0.7087921 . . . . . . . . . . . 6716 1 388 . 1 1 34 34 ILE HD13 H 1 0.7087921 . . . . . . . . . . . 6716 1 389 . 1 1 34 34 ILE C C 13 177.732 . . . . . . . . . . . 6716 1 390 . 1 1 34 34 ILE CA C 13 62.4305 . . . . . . . . . . . 6716 1 391 . 1 1 34 34 ILE CB C 13 39.99417 . . . . . . . . . . . 6716 1 392 . 1 1 34 34 ILE CG1 C 13 28.34348 . . . . . . . . . . . 6716 1 393 . 1 1 34 34 ILE CG2 C 13 17.70526 . . . . . . . . . . . 6716 1 394 . 1 1 34 34 ILE CD1 C 13 14.55169 . . . . . . . . . . . 6716 1 395 . 1 1 34 34 ILE N N 15 116.893 . . . . . . . . . . . 6716 1 396 . 1 1 35 35 GLY H H 1 8.522 . . . . . . . . . . . 6716 1 397 . 1 1 35 35 GLY HA2 H 1 3.867542 . . . . . . . . . . . 6716 1 398 . 1 1 35 35 GLY HA3 H 1 4.054796 . . . . . . . . . . . 6716 1 399 . 1 1 35 35 GLY C C 13 176.445 . . . . . . . . . . . 6716 1 400 . 1 1 35 35 GLY CA C 13 48.2065 . . . . . . . . . . . 6716 1 401 . 1 1 35 35 GLY N N 15 111.469 . . . . . . . . . . . 6716 1 402 . 1 1 36 36 GLY H H 1 9.309 . . . . . . . . . . . 6716 1 403 . 1 1 36 36 GLY HA2 H 1 3.946558 . . . . . . . . . . . 6716 1 404 . 1 1 36 36 GLY HA3 H 1 4.920874 . . . . . . . . . . . 6716 1 405 . 1 1 36 36 GLY CA C 13 45.834 . . . . . . . . . . . 6716 1 406 . 1 1 36 36 GLY N N 15 117.98 . . . . . . . . . . . 6716 1 407 . 1 1 40 40 ILE HG21 H 1 0.8187319 . . . . . . . . . . . 6716 1 408 . 1 1 40 40 ILE HG22 H 1 0.8187319 . . . . . . . . . . . 6716 1 409 . 1 1 40 40 ILE HG23 H 1 0.8187319 . . . . . . . . . . . 6716 1 410 . 1 1 40 40 ILE CG2 C 13 11.90608 . . . . . . . . . . . 6716 1 411 . 1 1 41 41 GLU C C 13 178.607 . . . . . . . . . . . 6716 1 412 . 1 1 41 41 GLU CA C 13 61.269 . . . . . . . . . . . 6716 1 413 . 1 1 41 41 GLU CB C 13 29.397 . . . . . . . . . . . 6716 1 414 . 1 1 42 42 GLU H H 1 9.884 . . . . . . . . . . . 6716 1 415 . 1 1 42 42 GLU HA H 1 4.182811 . . . . . . . . . . . 6716 1 416 . 1 1 42 42 GLU HB2 H 1 1.904365 . . . . . . . . . . . 6716 1 417 . 1 1 42 42 GLU HB3 H 1 1.969515 . . . . . . . . . . . 6716 1 418 . 1 1 42 42 GLU HG2 H 1 2.338143 . . . . . . . . . . . 6716 1 419 . 1 1 42 42 GLU HG3 H 1 2.338143 . . . . . . . . . . . 6716 1 420 . 1 1 42 42 GLU C C 13 177.943 . . . . . . . . . . . 6716 1 421 . 1 1 42 42 GLU CA C 13 60.334 . . . . . . . . . . . 6716 1 422 . 1 1 42 42 GLU CB C 13 28.469 . . . . . . . . . . . 6716 1 423 . 1 1 42 42 GLU CG C 13 36.69228 . . . . . . . . . . . 6716 1 424 . 1 1 42 42 GLU N N 15 119.161 . . . . . . . . . . . 6716 1 425 . 1 1 43 43 HIS H H 1 6.912 . . . . . . . . . . . 6716 1 426 . 1 1 43 43 HIS HA H 1 4.331936 . . . . . . . . . . . 6716 1 427 . 1 1 43 43 HIS HD2 H 1 6.385872 . . . . . . . . . . . 6716 1 428 . 1 1 43 43 HIS C C 13 176.682 . . . . . . . . . . . 6716 1 429 . 1 1 43 43 HIS CA C 13 56.3465 . . . . . . . . . . . 6716 1 430 . 1 1 43 43 HIS CB C 13 29.144 . . . . . . . . . . . 6716 1 431 . 1 1 43 43 HIS CD2 C 13 125.13568 . . . . . . . . . . . 6716 1 432 . 1 1 43 43 HIS N N 15 116.94 . . . . . . . . . . . 6716 1 433 . 1 1 44 44 ARG H H 1 8.006 . . . . . . . . . . . 6716 1 434 . 1 1 44 44 ARG HA H 1 3.9548 . . . . . . . . . . . 6716 1 435 . 1 1 44 44 ARG C C 13 179.113 . . . . . . . . . . . 6716 1 436 . 1 1 44 44 ARG CA C 13 60.216 . . . . . . . . . . . 6716 1 437 . 1 1 44 44 ARG CB C 13 30.792 . . . . . . . . . . . 6716 1 438 . 1 1 44 44 ARG N N 15 119.055 . . . . . . . . . . . 6716 1 439 . 1 1 45 45 ALA H H 1 8.091 . . . . . . . . . . . 6716 1 440 . 1 1 45 45 ALA HA H 1 4.207997 . . . . . . . . . . . 6716 1 441 . 1 1 45 45 ALA HB1 H 1 1.585152 . . . . . . . . . . . 6716 1 442 . 1 1 45 45 ALA HB2 H 1 1.585152 . . . . . . . . . . . 6716 1 443 . 1 1 45 45 ALA HB3 H 1 1.585152 . . . . . . . . . . . 6716 1 444 . 1 1 45 45 ALA C C 13 179.762 . . . . . . . . . . . 6716 1 445 . 1 1 45 45 ALA CA C 13 54.95 . . . . . . . . . . . 6716 1 446 . 1 1 45 45 ALA CB C 13 18.609 . . . . . . . . . . . 6716 1 447 . 1 1 45 45 ALA N N 15 121.364 . . . . . . . . . . . 6716 1 448 . 1 1 46 46 LEU H H 1 8.08 . . . . . . . . . . . 6716 1 449 . 1 1 46 46 LEU HA H 1 4.184247 . . . . . . . . . . . 6716 1 450 . 1 1 46 46 LEU HB2 H 1 1.694912 . . . . . . . . . . . 6716 1 451 . 1 1 46 46 LEU HB3 H 1 1.911557 . . . . . . . . . . . 6716 1 452 . 1 1 46 46 LEU HG H 1 1.610143 . . . . . . . . . . . 6716 1 453 . 1 1 46 46 LEU HD11 H 1 0.8194243 . . . . . . . . . . . 6716 1 454 . 1 1 46 46 LEU HD12 H 1 0.8194243 . . . . . . . . . . . 6716 1 455 . 1 1 46 46 LEU HD13 H 1 0.8194243 . . . . . . . . . . . 6716 1 456 . 1 1 46 46 LEU C C 13 178.416 . . . . . . . . . . . 6716 1 457 . 1 1 46 46 LEU CA C 13 58.2585 . . . . . . . . . . . 6716 1 458 . 1 1 46 46 LEU CB C 13 41.6255 . . . . . . . . . . . 6716 1 459 . 1 1 46 46 LEU CG C 13 27.1291 . . . . . . . . . . . 6716 1 460 . 1 1 46 46 LEU CD1 C 13 26.46608 . . . . . . . . . . . 6716 1 461 . 1 1 46 46 LEU N N 15 117.505 . . . . . . . . . . . 6716 1 462 . 1 1 47 47 ALA H H 1 8.432 . . . . . . . . . . . 6716 1 463 . 1 1 47 47 ALA HA H 1 3.264711 . . . . . . . . . . . 6716 1 464 . 1 1 47 47 ALA HB1 H 1 1.004075 . . . . . . . . . . . 6716 1 465 . 1 1 47 47 ALA HB2 H 1 1.004075 . . . . . . . . . . . 6716 1 466 . 1 1 47 47 ALA HB3 H 1 1.004075 . . . . . . . . . . . 6716 1 467 . 1 1 47 47 ALA C C 13 176.935 . . . . . . . . . . . 6716 1 468 . 1 1 47 47 ALA CA C 13 55.672 . . . . . . . . . . . 6716 1 469 . 1 1 47 47 ALA CB C 13 17.7555 . . . . . . . . . . . 6716 1 470 . 1 1 47 47 ALA N N 15 120.098 . . . . . . . . . . . 6716 1 471 . 1 1 48 48 ALA H H 1 7.313 . . . . . . . . . . . 6716 1 472 . 1 1 48 48 ALA HA H 1 4.052405 . . . . . . . . . . . 6716 1 473 . 1 1 48 48 ALA HB1 H 1 1.444273 . . . . . . . . . . . 6716 1 474 . 1 1 48 48 ALA HB2 H 1 1.444273 . . . . . . . . . . . 6716 1 475 . 1 1 48 48 ALA HB3 H 1 1.444273 . . . . . . . . . . . 6716 1 476 . 1 1 48 48 ALA C C 13 181.858 . . . . . . . . . . . 6716 1 477 . 1 1 48 48 ALA CA C 13 55.672 . . . . . . . . . . . 6716 1 478 . 1 1 48 48 ALA CB C 13 17.8035 . . . . . . . . . . . 6716 1 479 . 1 1 48 48 ALA N N 15 115.576 . . . . . . . . . . . 6716 1 480 . 1 1 49 49 TYR H H 1 7.525 . . . . . . . . . . . 6716 1 481 . 1 1 49 49 TYR HA H 1 4.170281 . . . . . . . . . . . 6716 1 482 . 1 1 49 49 TYR HB2 H 1 2.900934 . . . . . . . . . . . 6716 1 483 . 1 1 49 49 TYR HB3 H 1 3.002586 . . . . . . . . . . . 6716 1 484 . 1 1 49 49 TYR HD1 H 1 7.274617 . . . . . . . . . . . 6716 1 485 . 1 1 49 49 TYR HD2 H 1 7.274617 . . . . . . . . . . . 6716 1 486 . 1 1 49 49 TYR HE1 H 1 6.797715 . . . . . . . . . . . 6716 1 487 . 1 1 49 49 TYR HE2 H 1 6.797715 . . . . . . . . . . . 6716 1 488 . 1 1 49 49 TYR C C 13 177.613 . . . . . . . . . . . 6716 1 489 . 1 1 49 49 TYR CA C 13 61.0295 . . . . . . . . . . . 6716 1 490 . 1 1 49 49 TYR CB C 13 38.639 . . . . . . . . . . . 6716 1 491 . 1 1 49 49 TYR CD1 C 13 133.46 . . . . . . . . . . . 6716 1 492 . 1 1 49 49 TYR CD2 C 13 133.46 . . . . . . . . . . . 6716 1 493 . 1 1 49 49 TYR CE1 C 13 118.36 . . . . . . . . . . . 6716 1 494 . 1 1 49 49 TYR CE2 C 13 118.36 . . . . . . . . . . . 6716 1 495 . 1 1 49 49 TYR N N 15 116.93 . . . . . . . . . . . 6716 1 496 . 1 1 50 50 ILE H H 1 7.592 . . . . . . . . . . . 6716 1 497 . 1 1 50 50 ILE C C 13 178.728 . . . . . . . . . . . 6716 1 498 . 1 1 50 50 ILE CA C 13 60.7695 . . . . . . . . . . . 6716 1 499 . 1 1 50 50 ILE CB C 13 38.2805 . . . . . . . . . . . 6716 1 500 . 1 1 50 50 ILE N N 15 120.607 . . . . . . . . . . . 6716 1 501 . 1 1 51 51 TYR H H 1 8.473 . . . . . . . . . . . 6716 1 502 . 1 1 51 51 TYR HA H 1 4.318947 . . . . . . . . . . . 6716 1 503 . 1 1 51 51 TYR HB2 H 1 1.699487 . . . . . . . . . . . 6716 1 504 . 1 1 51 51 TYR HB3 H 1 1.925073 . . . . . . . . . . . 6716 1 505 . 1 1 51 51 TYR C C 13 179.911 . . . . . . . . . . . 6716 1 506 . 1 1 51 51 TYR CA C 13 58.338 . . . . . . . . . . . 6716 1 507 . 1 1 51 51 TYR CB C 13 41.403 . . . . . . . . . . . 6716 1 508 . 1 1 51 51 TYR N N 15 123.071 . . . . . . . . . . . 6716 1 509 . 1 1 52 52 ALA H H 1 7.784 . . . . . . . . . . . 6716 1 510 . 1 1 52 52 ALA HA H 1 4.101512 . . . . . . . . . . . 6716 1 511 . 1 1 52 52 ALA HB1 H 1 1.599897 . . . . . . . . . . . 6716 1 512 . 1 1 52 52 ALA HB2 H 1 1.599897 . . . . . . . . . . . 6716 1 513 . 1 1 52 52 ALA HB3 H 1 1.599897 . . . . . . . . . . . 6716 1 514 . 1 1 52 52 ALA C C 13 179.224 . . . . . . . . . . . 6716 1 515 . 1 1 52 52 ALA CA C 13 55.247 . . . . . . . . . . . 6716 1 516 . 1 1 52 52 ALA CB C 13 18.413 . . . . . . . . . . . 6716 1 517 . 1 1 52 52 ALA N N 15 120.031 . . . . . . . . . . . 6716 1 518 . 1 1 53 53 PHE H H 1 7.924 . . . . . . . . . . . 6716 1 519 . 1 1 53 53 PHE HA H 1 4.225995 . . . . . . . . . . . 6716 1 520 . 1 1 53 53 PHE HB2 H 1 3.005208 . . . . . . . . . . . 6716 1 521 . 1 1 53 53 PHE HB3 H 1 3.108203 . . . . . . . . . . . 6716 1 522 . 1 1 53 53 PHE HD1 H 1 6.309397 . . . . . . . . . . . 6716 1 523 . 1 1 53 53 PHE HD2 H 1 6.309397 . . . . . . . . . . . 6716 1 524 . 1 1 53 53 PHE HE1 H 1 6.85983 . . . . . . . . . . . 6716 1 525 . 1 1 53 53 PHE HE2 H 1 6.85983 . . . . . . . . . . . 6716 1 526 . 1 1 53 53 PHE C C 13 178.077 . . . . . . . . . . . 6716 1 527 . 1 1 53 53 PHE CA C 13 61.598 . . . . . . . . . . . 6716 1 528 . 1 1 53 53 PHE CB C 13 39.7095 . . . . . . . . . . . 6716 1 529 . 1 1 53 53 PHE CD1 C 13 131.24 . . . . . . . . . . . 6716 1 530 . 1 1 53 53 PHE CD2 C 13 131.24 . . . . . . . . . . . 6716 1 531 . 1 1 53 53 PHE CE1 C 13 131.24 . . . . . . . . . . . 6716 1 532 . 1 1 53 53 PHE CE2 C 13 131.24 . . . . . . . . . . . 6716 1 533 . 1 1 53 53 PHE N N 15 120.24 . . . . . . . . . . . 6716 1 534 . 1 1 54 54 TYR H H 1 7.928 . . . . . . . . . . . 6716 1 535 . 1 1 54 54 TYR HA H 1 4.668138 . . . . . . . . . . . 6716 1 536 . 1 1 54 54 TYR HB2 H 1 3.099436 . . . . . . . . . . . 6716 1 537 . 1 1 54 54 TYR HB3 H 1 3.237274 . . . . . . . . . . . 6716 1 538 . 1 1 54 54 TYR HD1 H 1 7.433425 . . . . . . . . . . . 6716 1 539 . 1 1 54 54 TYR HD2 H 1 7.433425 . . . . . . . . . . . 6716 1 540 . 1 1 54 54 TYR HE1 H 1 6.771269 . . . . . . . . . . . 6716 1 541 . 1 1 54 54 TYR HE2 H 1 6.771269 . . . . . . . . . . . 6716 1 542 . 1 1 54 54 TYR C C 13 180.948 . . . . . . . . . . . 6716 1 543 . 1 1 54 54 TYR CA C 13 61.0775 . . . . . . . . . . . 6716 1 544 . 1 1 54 54 TYR CB C 13 37.2905 . . . . . . . . . . . 6716 1 545 . 1 1 54 54 TYR CD1 C 13 133.39 . . . . . . . . . . . 6716 1 546 . 1 1 54 54 TYR CD2 C 13 133.39 . . . . . . . . . . . 6716 1 547 . 1 1 54 54 TYR CE1 C 13 117.58 . . . . . . . . . . . 6716 1 548 . 1 1 54 54 TYR CE2 C 13 117.58 . . . . . . . . . . . 6716 1 549 . 1 1 54 54 TYR N N 15 115.905 . . . . . . . . . . . 6716 1 550 . 1 1 55 55 GLU H H 1 8.827 . . . . . . . . . . . 6716 1 551 . 1 1 55 55 GLU HA H 1 4.19391 . . . . . . . . . . . 6716 1 552 . 1 1 55 55 GLU HB2 H 1 2.226442 . . . . . . . . . . . 6716 1 553 . 1 1 55 55 GLU HB3 H 1 2.358621 . . . . . . . . . . . 6716 1 554 . 1 1 55 55 GLU HG2 H 1 2.402051 . . . . . . . . . . . 6716 1 555 . 1 1 55 55 GLU HG3 H 1 2.521013 . . . . . . . . . . . 6716 1 556 . 1 1 55 55 GLU C C 13 178.159 . . . . . . . . . . . 6716 1 557 . 1 1 55 55 GLU CA C 13 59.521 . . . . . . . . . . . 6716 1 558 . 1 1 55 55 GLU CB C 13 29.2365 . . . . . . . . . . . 6716 1 559 . 1 1 55 55 GLU CG C 13 36.49771 . . . . . . . . . . . 6716 1 560 . 1 1 55 55 GLU N N 15 125.528 . . . . . . . . . . . 6716 1 561 . 1 1 56 56 GLU H H 1 7.498 . . . . . . . . . . . 6716 1 562 . 1 1 56 56 GLU HA H 1 4.166359 . . . . . . . . . . . 6716 1 563 . 1 1 56 56 GLU HB2 H 1 2.098731 . . . . . . . . . . . 6716 1 564 . 1 1 56 56 GLU HB3 H 1 2.098731 . . . . . . . . . . . 6716 1 565 . 1 1 56 56 GLU HG2 H 1 2.382548 . . . . . . . . . . . 6716 1 566 . 1 1 56 56 GLU HG3 H 1 2.660732 . . . . . . . . . . . 6716 1 567 . 1 1 56 56 GLU C C 13 177.122 . . . . . . . . . . . 6716 1 568 . 1 1 56 56 GLU CA C 13 57.2045 . . . . . . . . . . . 6716 1 569 . 1 1 56 56 GLU CB C 13 30.4445 . . . . . . . . . . . 6716 1 570 . 1 1 56 56 GLU CG C 13 36.81809 . . . . . . . . . . . 6716 1 571 . 1 1 56 56 GLU N N 15 116.297 . . . . . . . . . . . 6716 1 572 . 1 1 57 57 GLY H H 1 7.793 . . . . . . . . . . . 6716 1 573 . 1 1 57 57 GLY HA2 H 1 3.685148 . . . . . . . . . . . 6716 1 574 . 1 1 57 57 GLY HA3 H 1 4.187457 . . . . . . . . . . . 6716 1 575 . 1 1 57 57 GLY C C 13 174.096 . . . . . . . . . . . 6716 1 576 . 1 1 57 57 GLY CA C 13 45.012 . . . . . . . . . . . 6716 1 577 . 1 1 57 57 GLY N N 15 104.607 . . . . . . . . . . . 6716 1 578 . 1 1 58 58 HIS H H 1 6.489 . . . . . . . . . . . 6716 1 579 . 1 1 58 58 HIS HA H 1 4.370822 . . . . . . . . . . . 6716 1 580 . 1 1 58 58 HIS HB2 H 1 2.864748 . . . . . . . . . . . 6716 1 581 . 1 1 58 58 HIS HB3 H 1 2.864748 . . . . . . . . . . . 6716 1 582 . 1 1 58 58 HIS HD2 H 1 6.892434 . . . . . . . . . . . 6716 1 583 . 1 1 58 58 HIS C C 13 175.749 . . . . . . . . . . . 6716 1 584 . 1 1 58 58 HIS CA C 13 56.432 . . . . . . . . . . . 6716 1 585 . 1 1 58 58 HIS CB C 13 30.4175 . . . . . . . . . . . 6716 1 586 . 1 1 58 58 HIS CD2 C 13 121.26176 . . . . . . . . . . . 6716 1 587 . 1 1 58 58 HIS N N 15 117 . . . . . . . . . . . 6716 1 588 . 1 1 59 59 GLU H H 1 8.313 . . . . . . . . . . . 6716 1 589 . 1 1 59 59 GLU HA H 1 4.600245 . . . . . . . . . . . 6716 1 590 . 1 1 59 59 GLU HB2 H 1 2.037115 . . . . . . . . . . . 6716 1 591 . 1 1 59 59 GLU HB3 H 1 2.358873 . . . . . . . . . . . 6716 1 592 . 1 1 59 59 GLU HG2 H 1 2.455741 . . . . . . . . . . . 6716 1 593 . 1 1 59 59 GLU HG3 H 1 2.537315 . . . . . . . . . . . 6716 1 594 . 1 1 59 59 GLU C C 13 176.268 . . . . . . . . . . . 6716 1 595 . 1 1 59 59 GLU CA C 13 55.64 . . . . . . . . . . . 6716 1 596 . 1 1 59 59 GLU CB C 13 30.6335 . . . . . . . . . . . 6716 1 597 . 1 1 59 59 GLU CG C 13 36.50049 . . . . . . . . . . . 6716 1 598 . 1 1 59 59 GLU N N 15 119.715 . . . . . . . . . . . 6716 1 599 . 1 1 60 60 ALA H H 1 8.938 . . . . . . . . . . . 6716 1 600 . 1 1 60 60 ALA HA H 1 4.530781 . . . . . . . . . . . 6716 1 601 . 1 1 60 60 ALA HB1 H 1 1.51962 . . . . . . . . . . . 6716 1 602 . 1 1 60 60 ALA HB2 H 1 1.51962 . . . . . . . . . . . 6716 1 603 . 1 1 60 60 ALA HB3 H 1 1.51962 . . . . . . . . . . . 6716 1 604 . 1 1 60 60 ALA C C 13 178.707 . . . . . . . . . . . 6716 1 605 . 1 1 60 60 ALA CA C 13 54.7075 . . . . . . . . . . . 6716 1 606 . 1 1 60 60 ALA CB C 13 19.3825 . . . . . . . . . . . 6716 1 607 . 1 1 60 60 ALA N N 15 121.671 . . . . . . . . . . . 6716 1 608 . 1 1 61 61 ASP H H 1 8.644 . . . . . . . . . . . 6716 1 609 . 1 1 61 61 ASP HA H 1 4.826639 . . . . . . . . . . . 6716 1 610 . 1 1 61 61 ASP HB2 H 1 3.006614 . . . . . . . . . . . 6716 1 611 . 1 1 61 61 ASP HB3 H 1 3.051933 . . . . . . . . . . . 6716 1 612 . 1 1 61 61 ASP C C 13 178.684 . . . . . . . . . . . 6716 1 613 . 1 1 61 61 ASP CA C 13 52.738 . . . . . . . . . . . 6716 1 614 . 1 1 61 61 ASP CB C 13 40.373 . . . . . . . . . . . 6716 1 615 . 1 1 61 61 ASP N N 15 119.769 . . . . . . . . . . . 6716 1 616 . 1 1 62 62 PRO C C 13 177.501 . . . . . . . . . . . 6716 1 617 . 1 1 62 62 PRO CA C 13 65.687 . . . . . . . . . . . 6716 1 618 . 1 1 62 62 PRO CB C 13 31.736 . . . . . . . . . . . 6716 1 619 . 1 1 63 63 GLY H H 1 8.301 . . . . . . . . . . . 6716 1 620 . 1 1 63 63 GLY HA2 H 1 3.723543 . . . . . . . . . . . 6716 1 621 . 1 1 63 63 GLY HA3 H 1 3.870724 . . . . . . . . . . . 6716 1 622 . 1 1 63 63 GLY C C 13 176.552 . . . . . . . . . . . 6716 1 623 . 1 1 63 63 GLY CA C 13 47.176 . . . . . . . . . . . 6716 1 624 . 1 1 63 63 GLY N N 15 103.188 . . . . . . . . . . . 6716 1 625 . 1 1 64 64 ALA H H 1 7.542 . . . . . . . . . . . 6716 1 626 . 1 1 64 64 ALA HA H 1 4.134114 . . . . . . . . . . . 6716 1 627 . 1 1 64 64 ALA HB1 H 1 1.52974 . . . . . . . . . . . 6716 1 628 . 1 1 64 64 ALA HB2 H 1 1.52974 . . . . . . . . . . . 6716 1 629 . 1 1 64 64 ALA HB3 H 1 1.52974 . . . . . . . . . . . 6716 1 630 . 1 1 64 64 ALA C C 13 180.441 . . . . . . . . . . . 6716 1 631 . 1 1 64 64 ALA CA C 13 54.1865 . . . . . . . . . . . 6716 1 632 . 1 1 64 64 ALA CB C 13 18.585 . . . . . . . . . . . 6716 1 633 . 1 1 64 64 ALA N N 15 125.561 . . . . . . . . . . . 6716 1 634 . 1 1 65 65 LEU H H 1 7.815 . . . . . . . . . . . 6716 1 635 . 1 1 65 65 LEU HA H 1 3.215776 . . . . . . . . . . . 6716 1 636 . 1 1 65 65 LEU HB2 H 1 1.485088 . . . . . . . . . . . 6716 1 637 . 1 1 65 65 LEU HB3 H 1 1.485088 . . . . . . . . . . . 6716 1 638 . 1 1 65 65 LEU HG H 1 1.014037 . . . . . . . . . . . 6716 1 639 . 1 1 65 65 LEU HD11 H 1 0.3306199 . . . . . . . . . . . 6716 1 640 . 1 1 65 65 LEU HD12 H 1 0.3306199 . . . . . . . . . . . 6716 1 641 . 1 1 65 65 LEU HD13 H 1 0.3306199 . . . . . . . . . . . 6716 1 642 . 1 1 65 65 LEU HD21 H 1 0.5624923 . . . . . . . . . . . 6716 1 643 . 1 1 65 65 LEU HD22 H 1 0.5624923 . . . . . . . . . . . 6716 1 644 . 1 1 65 65 LEU HD23 H 1 0.5624923 . . . . . . . . . . . 6716 1 645 . 1 1 65 65 LEU C C 13 178.786 . . . . . . . . . . . 6716 1 646 . 1 1 65 65 LEU CA C 13 58.2745 . . . . . . . . . . . 6716 1 647 . 1 1 65 65 LEU CB C 13 40.7495 . . . . . . . . . . . 6716 1 648 . 1 1 65 65 LEU CG C 13 27.14671 . . . . . . . . . . . 6716 1 649 . 1 1 65 65 LEU CD1 C 13 23.65646 . . . . . . . . . . . 6716 1 650 . 1 1 65 65 LEU CD2 C 13 26.05127 . . . . . . . . . . . 6716 1 651 . 1 1 65 65 LEU N N 15 120.815 . . . . . . . . . . . 6716 1 652 . 1 1 66 66 ILE H H 1 8.407 . . . . . . . . . . . 6716 1 653 . 1 1 66 66 ILE HA H 1 3.311445 . . . . . . . . . . . 6716 1 654 . 1 1 66 66 ILE HB H 1 1.782634 . . . . . . . . . . . 6716 1 655 . 1 1 66 66 ILE HG12 H 1 1.7156 . . . . . . . . . . . 6716 1 656 . 1 1 66 66 ILE HG13 H 1 1.7156 . . . . . . . . . . . 6716 1 657 . 1 1 66 66 ILE HG21 H 1 0.8083464 . . . . . . . . . . . 6716 1 658 . 1 1 66 66 ILE HG22 H 1 0.8083464 . . . . . . . . . . . 6716 1 659 . 1 1 66 66 ILE HG23 H 1 0.8083464 . . . . . . . . . . . 6716 1 660 . 1 1 66 66 ILE HD11 H 1 0.7236258 . . . . . . . . . . . 6716 1 661 . 1 1 66 66 ILE HD12 H 1 0.7236258 . . . . . . . . . . . 6716 1 662 . 1 1 66 66 ILE HD13 H 1 0.7236258 . . . . . . . . . . . 6716 1 663 . 1 1 66 66 ILE C C 13 177.37 . . . . . . . . . . . 6716 1 664 . 1 1 66 66 ILE CA C 13 65.52 . . . . . . . . . . . 6716 1 665 . 1 1 66 66 ILE CB C 13 37.745 . . . . . . . . . . . 6716 1 666 . 1 1 66 66 ILE CG1 C 13 31.13 . . . . . . . . . . . 6716 1 667 . 1 1 66 66 ILE CG2 C 13 17.48608 . . . . . . . . . . . 6716 1 668 . 1 1 66 66 ILE CD1 C 13 13.16600 . . . . . . . . . . . 6716 1 669 . 1 1 66 66 ILE N N 15 117.64 . . . . . . . . . . . 6716 1 670 . 1 1 67 67 SER H H 1 7.276 . . . . . . . . . . . 6716 1 671 . 1 1 67 67 SER HA H 1 4.196358 . . . . . . . . . . . 6716 1 672 . 1 1 67 67 SER HB2 H 1 3.966938 . . . . . . . . . . . 6716 1 673 . 1 1 67 67 SER HB3 H 1 3.966938 . . . . . . . . . . . 6716 1 674 . 1 1 67 67 SER C C 13 175.072 . . . . . . . . . . . 6716 1 675 . 1 1 67 67 SER CA C 13 60.9235 . . . . . . . . . . . 6716 1 676 . 1 1 67 67 SER CB C 13 63.3535 . . . . . . . . . . . 6716 1 677 . 1 1 67 67 SER N N 15 112.131 . . . . . . . . . . . 6716 1 678 . 1 1 68 68 ARG H H 1 7.488 . . . . . . . . . . . 6716 1 679 . 1 1 68 68 ARG HA H 1 4.417844 . . . . . . . . . . . 6716 1 680 . 1 1 68 68 ARG HB2 H 1 1.890536 . . . . . . . . . . . 6716 1 681 . 1 1 68 68 ARG HB3 H 1 2.148846 . . . . . . . . . . . 6716 1 682 . 1 1 68 68 ARG HG2 H 1 1.721178 . . . . . . . . . . . 6716 1 683 . 1 1 68 68 ARG HG3 H 1 1.835642 . . . . . . . . . . . 6716 1 684 . 1 1 68 68 ARG HD2 H 1 3.210737 . . . . . . . . . . . 6716 1 685 . 1 1 68 68 ARG HD3 H 1 3.318177 . . . . . . . . . . . 6716 1 686 . 1 1 68 68 ARG C C 13 176.062 . . . . . . . . . . . 6716 1 687 . 1 1 68 68 ARG CA C 13 56.0005 . . . . . . . . . . . 6716 1 688 . 1 1 68 68 ARG CB C 13 31.568 . . . . . . . . . . . 6716 1 689 . 1 1 68 68 ARG CG C 13 26.8883 . . . . . . . . . . . 6716 1 690 . 1 1 68 68 ARG CD C 13 44.11306 . . . . . . . . . . . 6716 1 691 . 1 1 68 68 ARG N N 15 119.02 . . . . . . . . . . . 6716 1 692 . 1 1 69 69 ILE H H 1 7.109 . . . . . . . . . . . 6716 1 693 . 1 1 69 69 ILE HA H 1 3.839 . . . . . . . . . . . 6716 1 694 . 1 1 69 69 ILE HB H 1 1.629401 . . . . . . . . . . . 6716 1 695 . 1 1 69 69 ILE HG12 H 1 1.214433 . . . . . . . . . . . 6716 1 696 . 1 1 69 69 ILE HG13 H 1 1.286763 . . . . . . . . . . . 6716 1 697 . 1 1 69 69 ILE HG21 H 1 0.6441428 . . . . . . . . . . . 6716 1 698 . 1 1 69 69 ILE HG22 H 1 0.6441428 . . . . . . . . . . . 6716 1 699 . 1 1 69 69 ILE HG23 H 1 0.6441428 . . . . . . . . . . . 6716 1 700 . 1 1 69 69 ILE HD11 H 1 0.4382817 . . . . . . . . . . . 6716 1 701 . 1 1 69 69 ILE HD12 H 1 0.4382817 . . . . . . . . . . . 6716 1 702 . 1 1 69 69 ILE HD13 H 1 0.4382817 . . . . . . . . . . . 6716 1 703 . 1 1 69 69 ILE C C 13 173.095 . . . . . . . . . . . 6716 1 704 . 1 1 69 69 ILE CA C 13 58.83 . . . . . . . . . . . 6716 1 705 . 1 1 69 69 ILE CB C 13 37.539 . . . . . . . . . . . 6716 1 706 . 1 1 69 69 ILE CG1 C 13 26.25037 . . . . . . . . . . . 6716 1 707 . 1 1 69 69 ILE CG2 C 13 17.18011 . . . . . . . . . . . 6716 1 708 . 1 1 69 69 ILE CD1 C 13 14.01799 . . . . . . . . . . . 6716 1 709 . 1 1 69 69 ILE N N 15 119.336 . . . . . . . . . . . 6716 1 710 . 1 1 70 70 PRO HA H 1 4.328206 . . . . . . . . . . . 6716 1 711 . 1 1 70 70 PRO HB2 H 1 1.933444 . . . . . . . . . . . 6716 1 712 . 1 1 70 70 PRO HB3 H 1 2.020116 . . . . . . . . . . . 6716 1 713 . 1 1 70 70 PRO HD2 H 1 2.786658 . . . . . . . . . . . 6716 1 714 . 1 1 70 70 PRO HD3 H 1 3.099221 . . . . . . . . . . . 6716 1 715 . 1 1 70 70 PRO C C 13 178.01 . . . . . . . . . . . 6716 1 716 . 1 1 70 70 PRO CA C 13 63.182 . . . . . . . . . . . 6716 1 717 . 1 1 70 70 PRO CB C 13 32.691 . . . . . . . . . . . 6716 1 718 . 1 1 70 70 PRO CD C 13 50.9122 . . . . . . . . . . . 6716 1 719 . 1 1 71 71 GLY H H 1 8.78 . . . . . . . . . . . 6716 1 720 . 1 1 71 71 GLY HA2 H 1 3.695043 . . . . . . . . . . . 6716 1 721 . 1 1 71 71 GLY HA3 H 1 4.029379 . . . . . . . . . . . 6716 1 722 . 1 1 71 71 GLY C C 13 176.657 . . . . . . . . . . . 6716 1 723 . 1 1 71 71 GLY CA C 13 48.1575 . . . . . . . . . . . 6716 1 724 . 1 1 71 71 GLY N N 15 109.574 . . . . . . . . . . . 6716 1 725 . 1 1 72 72 GLU H H 1 9.406 . . . . . . . . . . . 6716 1 726 . 1 1 72 72 GLU HA H 1 4.193596 . . . . . . . . . . . 6716 1 727 . 1 1 72 72 GLU HB2 H 1 2.071197 . . . . . . . . . . . 6716 1 728 . 1 1 72 72 GLU HB3 H 1 2.071197 . . . . . . . . . . . 6716 1 729 . 1 1 72 72 GLU HG2 H 1 2.315694 . . . . . . . . . . . 6716 1 730 . 1 1 72 72 GLU HG3 H 1 2.3663 . . . . . . . . . . . 6716 1 731 . 1 1 72 72 GLU C C 13 177.748 . . . . . . . . . . . 6716 1 732 . 1 1 72 72 GLU CA C 13 59.259 . . . . . . . . . . . 6716 1 733 . 1 1 72 72 GLU CB C 13 28.658 . . . . . . . . . . . 6716 1 734 . 1 1 72 72 GLU CG C 13 36.1545 . . . . . . . . . . . 6716 1 735 . 1 1 72 72 GLU N N 15 118.633 . . . . . . . . . . . 6716 1 736 . 1 1 73 73 LEU H H 1 7.775 . . . . . . . . . . . 6716 1 737 . 1 1 73 73 LEU HA H 1 4.683 . . . . . . . . . . . 6716 1 738 . 1 1 73 73 LEU HB2 H 1 1.512737 . . . . . . . . . . . 6716 1 739 . 1 1 73 73 LEU HB3 H 1 1.57859 . . . . . . . . . . . 6716 1 740 . 1 1 73 73 LEU HG H 1 0.941255 . . . . . . . . . . . 6716 1 741 . 1 1 73 73 LEU HD11 H 1 0.99111 . . . . . . . . . . . 6716 1 742 . 1 1 73 73 LEU HD12 H 1 0.99111 . . . . . . . . . . . 6716 1 743 . 1 1 73 73 LEU HD13 H 1 0.99111 . . . . . . . . . . . 6716 1 744 . 1 1 73 73 LEU HD21 H 1 0.9525478 . . . . . . . . . . . 6716 1 745 . 1 1 73 73 LEU HD22 H 1 0.9525478 . . . . . . . . . . . 6716 1 746 . 1 1 73 73 LEU HD23 H 1 0.9525478 . . . . . . . . . . . 6716 1 747 . 1 1 73 73 LEU C C 13 176.042 . . . . . . . . . . . 6716 1 748 . 1 1 73 73 LEU CA C 13 54.2495 . . . . . . . . . . . 6716 1 749 . 1 1 73 73 LEU CB C 13 44.72 . . . . . . . . . . . 6716 1 750 . 1 1 73 73 LEU CD1 C 13 23.42978 . . . . . . . . . . . 6716 1 751 . 1 1 73 73 LEU CD2 C 13 26.2184 . . . . . . . . . . . 6716 1 752 . 1 1 73 73 LEU N N 15 118.351 . . . . . . . . . . . 6716 1 753 . 1 1 74 74 GLN H H 1 7.485 . . . . . . . . . . . 6716 1 754 . 1 1 74 74 GLN HA H 1 3.863595 . . . . . . . . . . . 6716 1 755 . 1 1 74 74 GLN HB2 H 1 2.03252 . . . . . . . . . . . 6716 1 756 . 1 1 74 74 GLN HB3 H 1 2.224412 . . . . . . . . . . . 6716 1 757 . 1 1 74 74 GLN HG2 H 1 2.241673 . . . . . . . . . . . 6716 1 758 . 1 1 74 74 GLN HG3 H 1 2.60674 . . . . . . . . . . . 6716 1 759 . 1 1 74 74 GLN HE21 H 1 6.777941 . . . . . . . . . . . 6716 1 760 . 1 1 74 74 GLN HE22 H 1 7.463197 . . . . . . . . . . . 6716 1 761 . 1 1 74 74 GLN C C 13 175.269 . . . . . . . . . . . 6716 1 762 . 1 1 74 74 GLN CA C 13 61.441 . . . . . . . . . . . 6716 1 763 . 1 1 74 74 GLN CB C 13 25.622 . . . . . . . . . . . 6716 1 764 . 1 1 74 74 GLN CG C 13 34.91 . . . . . . . . . . . 6716 1 765 . 1 1 74 74 GLN N N 15 120.054 . . . . . . . . . . . 6716 1 766 . 1 1 74 74 GLN NE2 N 15 112.38 . . . . . . . . . . . 6716 1 767 . 1 1 75 75 PRO C C 13 179.592 . . . . . . . . . . . 6716 1 768 . 1 1 75 75 PRO CA C 13 66.902 . . . . . . . . . . . 6716 1 769 . 1 1 75 75 PRO CB C 13 30.645 . . . . . . . . . . . 6716 1 770 . 1 1 76 76 LEU H H 1 7.644 . . . . . . . . . . . 6716 1 771 . 1 1 76 76 LEU HA H 1 4.252711 . . . . . . . . . . . 6716 1 772 . 1 1 76 76 LEU HD11 H 1 0.9813125 . . . . . . . . . . . 6716 1 773 . 1 1 76 76 LEU HD12 H 1 0.9813125 . . . . . . . . . . . 6716 1 774 . 1 1 76 76 LEU HD13 H 1 0.9813125 . . . . . . . . . . . 6716 1 775 . 1 1 76 76 LEU C C 13 177.815 . . . . . . . . . . . 6716 1 776 . 1 1 76 76 LEU CA C 13 57.781 . . . . . . . . . . . 6716 1 777 . 1 1 76 76 LEU CB C 13 41.176 . . . . . . . . . . . 6716 1 778 . 1 1 76 76 LEU CD1 C 13 27.00608 . . . . . . . . . . . 6716 1 779 . 1 1 76 76 LEU N N 15 120.05 . . . . . . . . . . . 6716 1 780 . 1 1 77 77 ALA H H 1 8.104 . . . . . . . . . . . 6716 1 781 . 1 1 77 77 ALA HA H 1 3.785993 . . . . . . . . . . . 6716 1 782 . 1 1 77 77 ALA HB1 H 1 1.308091 . . . . . . . . . . . 6716 1 783 . 1 1 77 77 ALA HB2 H 1 1.308091 . . . . . . . . . . . 6716 1 784 . 1 1 77 77 ALA HB3 H 1 1.308091 . . . . . . . . . . . 6716 1 785 . 1 1 77 77 ALA C C 13 179.45 . . . . . . . . . . . 6716 1 786 . 1 1 77 77 ALA CA C 13 55.65 . . . . . . . . . . . 6716 1 787 . 1 1 77 77 ALA CB C 13 19.3045 . . . . . . . . . . . 6716 1 788 . 1 1 77 77 ALA N N 15 119.518 . . . . . . . . . . . 6716 1 789 . 1 1 78 78 SER H H 1 8.856 . . . . . . . . . . . 6716 1 790 . 1 1 78 78 SER HA H 1 4.242041 . . . . . . . . . . . 6716 1 791 . 1 1 78 78 SER HB2 H 1 3.884348 . . . . . . . . . . . 6716 1 792 . 1 1 78 78 SER HB3 H 1 3.957865 . . . . . . . . . . . 6716 1 793 . 1 1 78 78 SER C C 13 178.29 . . . . . . . . . . . 6716 1 794 . 1 1 78 78 SER CA C 13 61.94 . . . . . . . . . . . 6716 1 795 . 1 1 78 78 SER CB C 13 62.593 . . . . . . . . . . . 6716 1 796 . 1 1 78 78 SER N N 15 112.967 . . . . . . . . . . . 6716 1 797 . 1 1 79 79 GLU H H 1 8.05 . . . . . . . . . . . 6716 1 798 . 1 1 79 79 GLU HA H 1 3.946253 . . . . . . . . . . . 6716 1 799 . 1 1 79 79 GLU HB2 H 1 2.050643 . . . . . . . . . . . 6716 1 800 . 1 1 79 79 GLU HB3 H 1 2.221343 . . . . . . . . . . . 6716 1 801 . 1 1 79 79 GLU HG2 H 1 2.050643 . . . . . . . . . . . 6716 1 802 . 1 1 79 79 GLU HG3 H 1 2.050643 . . . . . . . . . . . 6716 1 803 . 1 1 79 79 GLU C C 13 180.03 . . . . . . . . . . . 6716 1 804 . 1 1 79 79 GLU CA C 13 59.8325 . . . . . . . . . . . 6716 1 805 . 1 1 79 79 GLU CB C 13 29.5415 . . . . . . . . . . . 6716 1 806 . 1 1 79 79 GLU CG C 13 36.41204 . . . . . . . . . . . 6716 1 807 . 1 1 79 79 GLU N N 15 123.181 . . . . . . . . . . . 6716 1 808 . 1 1 80 80 LEU H H 1 8.388 . . . . . . . . . . . 6716 1 809 . 1 1 80 80 LEU HA H 1 3.991851 . . . . . . . . . . . 6716 1 810 . 1 1 80 80 LEU HG H 1 1.987701 . . . . . . . . . . . 6716 1 811 . 1 1 80 80 LEU HD11 H 1 0.6708798 . . . . . . . . . . . 6716 1 812 . 1 1 80 80 LEU HD12 H 1 0.6708798 . . . . . . . . . . . 6716 1 813 . 1 1 80 80 LEU HD13 H 1 0.6708798 . . . . . . . . . . . 6716 1 814 . 1 1 80 80 LEU HD21 H 1 0.7590624 . . . . . . . . . . . 6716 1 815 . 1 1 80 80 LEU HD22 H 1 0.7590624 . . . . . . . . . . . 6716 1 816 . 1 1 80 80 LEU HD23 H 1 0.7590624 . . . . . . . . . . . 6716 1 817 . 1 1 80 80 LEU C C 13 179.386 . . . . . . . . . . . 6716 1 818 . 1 1 80 80 LEU CA C 13 57.4095 . . . . . . . . . . . 6716 1 819 . 1 1 80 80 LEU CB C 13 41.0665 . . . . . . . . . . . 6716 1 820 . 1 1 80 80 LEU CG C 13 26.10608 . . . . . . . . . . . 6716 1 821 . 1 1 80 80 LEU CD1 C 13 27.186 . . . . . . . . . . . 6716 1 822 . 1 1 80 80 LEU CD2 C 13 21.976 . . . . . . . . . . . 6716 1 823 . 1 1 80 80 LEU N N 15 118.14 . . . . . . . . . . . 6716 1 824 . 1 1 81 81 SER H H 1 8.137 . . . . . . . . . . . 6716 1 825 . 1 1 81 81 SER HA H 1 4.268481 . . . . . . . . . . . 6716 1 826 . 1 1 81 81 SER HB2 H 1 3.914762 . . . . . . . . . . . 6716 1 827 . 1 1 81 81 SER HB3 H 1 3.999429 . . . . . . . . . . . 6716 1 828 . 1 1 81 81 SER C C 13 174.633 . . . . . . . . . . . 6716 1 829 . 1 1 81 81 SER CA C 13 61.186 . . . . . . . . . . . 6716 1 830 . 1 1 81 81 SER CB C 13 62.811 . . . . . . . . . . . 6716 1 831 . 1 1 81 81 SER N N 15 114.743 . . . . . . . . . . . 6716 1 832 . 1 1 82 82 LEU H H 1 7.116 . . . . . . . . . . . 6716 1 833 . 1 1 82 82 LEU HA H 1 4.396274 . . . . . . . . . . . 6716 1 834 . 1 1 82 82 LEU HB2 H 1 1.758086 . . . . . . . . . . . 6716 1 835 . 1 1 82 82 LEU HB3 H 1 1.599632 . . . . . . . . . . . 6716 1 836 . 1 1 82 82 LEU HG H 1 1.758086 . . . . . . . . . . . 6716 1 837 . 1 1 82 82 LEU HD11 H 1 0.8661081 . . . . . . . . . . . 6716 1 838 . 1 1 82 82 LEU HD12 H 1 0.8661081 . . . . . . . . . . . 6716 1 839 . 1 1 82 82 LEU HD13 H 1 0.8661081 . . . . . . . . . . . 6716 1 840 . 1 1 82 82 LEU HD21 H 1 0.9281109 . . . . . . . . . . . 6716 1 841 . 1 1 82 82 LEU HD22 H 1 0.9281109 . . . . . . . . . . . 6716 1 842 . 1 1 82 82 LEU HD23 H 1 0.9281109 . . . . . . . . . . . 6716 1 843 . 1 1 82 82 LEU C C 13 177.808 . . . . . . . . . . . 6716 1 844 . 1 1 82 82 LEU CA C 13 54.755 . . . . . . . . . . . 6716 1 845 . 1 1 82 82 LEU CB C 13 42.792 . . . . . . . . . . . 6716 1 846 . 1 1 82 82 LEU CG C 13 26.93996 . . . . . . . . . . . 6716 1 847 . 1 1 82 82 LEU CD1 C 13 23.77865 . . . . . . . . . . . 6716 1 848 . 1 1 82 82 LEU CD2 C 13 24.96636 . . . . . . . . . . . 6716 1 849 . 1 1 82 82 LEU N N 15 120.524 . . . . . . . . . . . 6716 1 850 . 1 1 83 83 LEU H H 1 7.107 . . . . . . . . . . . 6716 1 851 . 1 1 83 83 LEU HA H 1 4.079132 . . . . . . . . . . . 6716 1 852 . 1 1 83 83 LEU HB2 H 1 1.373025 . . . . . . . . . . . 6716 1 853 . 1 1 83 83 LEU HB3 H 1 1.641139 . . . . . . . . . . . 6716 1 854 . 1 1 83 83 LEU HG H 1 1.877236 . . . . . . . . . . . 6716 1 855 . 1 1 83 83 LEU HD11 H 1 0.7970167 . . . . . . . . . . . 6716 1 856 . 1 1 83 83 LEU HD12 H 1 0.7970167 . . . . . . . . . . . 6716 1 857 . 1 1 83 83 LEU HD13 H 1 0.7970167 . . . . . . . . . . . 6716 1 858 . 1 1 83 83 LEU HD21 H 1 0.8355377 . . . . . . . . . . . 6716 1 859 . 1 1 83 83 LEU HD22 H 1 0.8355377 . . . . . . . . . . . 6716 1 860 . 1 1 83 83 LEU HD23 H 1 0.8355377 . . . . . . . . . . . 6716 1 861 . 1 1 83 83 LEU C C 13 176.971 . . . . . . . . . . . 6716 1 862 . 1 1 83 83 LEU CA C 13 56.1425 . . . . . . . . . . . 6716 1 863 . 1 1 83 83 LEU CB C 13 42.5935 . . . . . . . . . . . 6716 1 864 . 1 1 83 83 LEU CG C 13 26.46608 . . . . . . . . . . . 6716 1 865 . 1 1 83 83 LEU CD1 C 13 23.416 . . . . . . . . . . . 6716 1 866 . 1 1 83 83 LEU CD2 C 13 25.20608 . . . . . . . . . . . 6716 1 867 . 1 1 83 83 LEU N N 15 120.703 . . . . . . . . . . . 6716 1 868 . 1 1 84 84 LEU H H 1 8.18 . . . . . . . . . . . 6716 1 869 . 1 1 84 84 LEU HA H 1 4.414 . . . . . . . . . . . 6716 1 870 . 1 1 84 84 LEU HB2 H 1 1.576434 . . . . . . . . . . . 6716 1 871 . 1 1 84 84 LEU HB3 H 1 1.638495 . . . . . . . . . . . 6716 1 872 . 1 1 84 84 LEU HD11 H 1 0.8334604 . . . . . . . . . . . 6716 1 873 . 1 1 84 84 LEU HD12 H 1 0.8334604 . . . . . . . . . . . 6716 1 874 . 1 1 84 84 LEU HD13 H 1 0.8334604 . . . . . . . . . . . 6716 1 875 . 1 1 84 84 LEU HD21 H 1 0.8334604 . . . . . . . . . . . 6716 1 876 . 1 1 84 84 LEU HD22 H 1 0.8334604 . . . . . . . . . . . 6716 1 877 . 1 1 84 84 LEU HD23 H 1 0.8334604 . . . . . . . . . . . 6716 1 878 . 1 1 84 84 LEU C C 13 176.226 . . . . . . . . . . . 6716 1 879 . 1 1 84 84 LEU CA C 13 55.0145 . . . . . . . . . . . 6716 1 880 . 1 1 84 84 LEU CB C 13 40.5905 . . . . . . . . . . . 6716 1 881 . 1 1 84 84 LEU CG C 13 26.94758 . . . . . . . . . . . 6716 1 882 . 1 1 84 84 LEU CD1 C 13 23.77608 . . . . . . . . . . . 6716 1 883 . 1 1 84 84 LEU CD2 C 13 24.49 . . . . . . . . . . . 6716 1 884 . 1 1 84 84 LEU N N 15 123.595 . . . . . . . . . . . 6716 1 885 . 1 1 85 85 ILE H H 1 7.855 . . . . . . . . . . . 6716 1 886 . 1 1 85 85 ILE HA H 1 4.455631 . . . . . . . . . . . 6716 1 887 . 1 1 85 85 ILE HB H 1 1.735362 . . . . . . . . . . . 6716 1 888 . 1 1 85 85 ILE HG12 H 1 0.8981816 . . . . . . . . . . . 6716 1 889 . 1 1 85 85 ILE HG13 H 1 1.185057 . . . . . . . . . . . 6716 1 890 . 1 1 85 85 ILE HG21 H 1 0.6799814 . . . . . . . . . . . 6716 1 891 . 1 1 85 85 ILE HG22 H 1 0.6799814 . . . . . . . . . . . 6716 1 892 . 1 1 85 85 ILE HG23 H 1 0.6799814 . . . . . . . . . . . 6716 1 893 . 1 1 85 85 ILE HD11 H 1 0.252754 . . . . . . . . . . . 6716 1 894 . 1 1 85 85 ILE HD12 H 1 0.252754 . . . . . . . . . . . 6716 1 895 . 1 1 85 85 ILE HD13 H 1 0.252754 . . . . . . . . . . . 6716 1 896 . 1 1 85 85 ILE C C 13 175.311 . . . . . . . . . . . 6716 1 897 . 1 1 85 85 ILE CA C 13 59.9255 . . . . . . . . . . . 6716 1 898 . 1 1 85 85 ILE CB C 13 40.449 . . . . . . . . . . . 6716 1 899 . 1 1 85 85 ILE CG1 C 13 25.04279 . . . . . . . . . . . 6716 1 900 . 1 1 85 85 ILE CG2 C 13 18.39605 . . . . . . . . . . . 6716 1 901 . 1 1 85 85 ILE CD1 C 13 12.78071 . . . . . . . . . . . 6716 1 902 . 1 1 85 85 ILE N N 15 120.528 . . . . . . . . . . . 6716 1 903 . 1 1 86 86 ALA H H 1 8.425 . . . . . . . . . . . 6716 1 904 . 1 1 86 86 ALA HA H 1 4.436972 . . . . . . . . . . . 6716 1 905 . 1 1 86 86 ALA HB1 H 1 1.574257 . . . . . . . . . . . 6716 1 906 . 1 1 86 86 ALA HB2 H 1 1.574257 . . . . . . . . . . . 6716 1 907 . 1 1 86 86 ALA HB3 H 1 1.574257 . . . . . . . . . . . 6716 1 908 . 1 1 86 86 ALA C C 13 176.992 . . . . . . . . . . . 6716 1 909 . 1 1 86 86 ALA CA C 13 52.1415 . . . . . . . . . . . 6716 1 910 . 1 1 86 86 ALA CB C 13 20.1655 . . . . . . . . . . . 6716 1 911 . 1 1 86 86 ALA N N 15 125.129 . . . . . . . . . . . 6716 1 912 . 1 1 87 87 ASP H H 1 8.305 . . . . . . . . . . . 6716 1 913 . 1 1 87 87 ASP HA H 1 4.594509 . . . . . . . . . . . 6716 1 914 . 1 1 87 87 ASP HB2 H 1 2.65969 . . . . . . . . . . . 6716 1 915 . 1 1 87 87 ASP HB3 H 1 2.776567 . . . . . . . . . . . 6716 1 916 . 1 1 87 87 ASP C C 13 176.036 . . . . . . . . . . . 6716 1 917 . 1 1 87 87 ASP CA C 13 55.5665 . . . . . . . . . . . 6716 1 918 . 1 1 87 87 ASP CB C 13 41.579 . . . . . . . . . . . 6716 1 919 . 1 1 87 87 ASP N N 15 118.32 . . . . . . . . . . . 6716 1 920 . 1 1 88 88 ASP H H 1 8.082 . . . . . . . . . . . 6716 1 921 . 1 1 88 88 ASP HA H 1 4.803518 . . . . . . . . . . . 6716 1 922 . 1 1 88 88 ASP HB2 H 1 2.637045 . . . . . . . . . . . 6716 1 923 . 1 1 88 88 ASP HB3 H 1 2.652751 . . . . . . . . . . . 6716 1 924 . 1 1 88 88 ASP C C 13 174.974 . . . . . . . . . . . 6716 1 925 . 1 1 88 88 ASP CA C 13 53.38 . . . . . . . . . . . 6716 1 926 . 1 1 88 88 ASP CB C 13 41.802 . . . . . . . . . . . 6716 1 927 . 1 1 88 88 ASP N N 15 117.819 . . . . . . . . . . . 6716 1 928 . 1 1 89 89 VAL H H 1 8.03 . . . . . . . . . . . 6716 1 929 . 1 1 89 89 VAL HA H 1 4.27133 . . . . . . . . . . . 6716 1 930 . 1 1 89 89 VAL HB H 1 1.674579 . . . . . . . . . . . 6716 1 931 . 1 1 89 89 VAL HG11 H 1 0.6666865 . . . . . . . . . . . 6716 1 932 . 1 1 89 89 VAL HG12 H 1 0.6666865 . . . . . . . . . . . 6716 1 933 . 1 1 89 89 VAL HG13 H 1 0.6666865 . . . . . . . . . . . 6716 1 934 . 1 1 89 89 VAL HG21 H 1 0.7903417 . . . . . . . . . . . 6716 1 935 . 1 1 89 89 VAL HG22 H 1 0.7903417 . . . . . . . . . . . 6716 1 936 . 1 1 89 89 VAL HG23 H 1 0.7903417 . . . . . . . . . . . 6716 1 937 . 1 1 89 89 VAL C C 13 174.219 . . . . . . . . . . . 6716 1 938 . 1 1 89 89 VAL CA C 13 60.7935 . . . . . . . . . . . 6716 1 939 . 1 1 89 89 VAL CB C 13 33.3315 . . . . . . . . . . . 6716 1 940 . 1 1 89 89 VAL CG1 C 13 20.13884 . . . . . . . . . . . 6716 1 941 . 1 1 89 89 VAL CG2 C 13 21.40097 . . . . . . . . . . . 6716 1 942 . 1 1 89 89 VAL N N 15 120.794 . . . . . . . . . . . 6716 1 943 . 1 1 90 90 SER H H 1 8.702 . . . . . . . . . . . 6716 1 944 . 1 1 90 90 SER HA H 1 4.575263 . . . . . . . . . . . 6716 1 945 . 1 1 90 90 SER HB2 H 1 4.048746 . . . . . . . . . . . 6716 1 946 . 1 1 90 90 SER HB3 H 1 4.367572 . . . . . . . . . . . 6716 1 947 . 1 1 90 90 SER C C 13 174.736 . . . . . . . . . . . 6716 1 948 . 1 1 90 90 SER CA C 13 57.532 . . . . . . . . . . . 6716 1 949 . 1 1 90 90 SER CB C 13 65.439 . . . . . . . . . . . 6716 1 950 . 1 1 90 90 SER N N 15 123.806 . . . . . . . . . . . 6716 1 951 . 1 1 91 91 GLU H H 1 8.974 . . . . . . . . . . . 6716 1 952 . 1 1 91 91 GLU HA H 1 3.943336 . . . . . . . . . . . 6716 1 953 . 1 1 91 91 GLU HB2 H 1 2.066756 . . . . . . . . . . . 6716 1 954 . 1 1 91 91 GLU HB3 H 1 2.106033 . . . . . . . . . . . 6716 1 955 . 1 1 91 91 GLU HG2 H 1 2.306826 . . . . . . . . . . . 6716 1 956 . 1 1 91 91 GLU HG3 H 1 2.400594 . . . . . . . . . . . 6716 1 957 . 1 1 91 91 GLU C C 13 178.71 . . . . . . . . . . . 6716 1 958 . 1 1 91 91 GLU CA C 13 60.1905 . . . . . . . . . . . 6716 1 959 . 1 1 91 91 GLU CB C 13 29.5025 . . . . . . . . . . . 6716 1 960 . 1 1 91 91 GLU CG C 13 36.5593 . . . . . . . . . . . 6716 1 961 . 1 1 91 91 GLU N N 15 121.748 . . . . . . . . . . . 6716 1 962 . 1 1 92 92 GLN H H 1 8.368 . . . . . . . . . . . 6716 1 963 . 1 1 92 92 GLN HA H 1 3.98166 . . . . . . . . . . . 6716 1 964 . 1 1 92 92 GLN HB2 H 1 1.960077 . . . . . . . . . . . 6716 1 965 . 1 1 92 92 GLN HB3 H 1 2.104148 . . . . . . . . . . . 6716 1 966 . 1 1 92 92 GLN HG2 H 1 2.406583 . . . . . . . . . . . 6716 1 967 . 1 1 92 92 GLN HG3 H 1 2.432767 . . . . . . . . . . . 6716 1 968 . 1 1 92 92 GLN HE21 H 1 6.886482 . . . . . . . . . . . 6716 1 969 . 1 1 92 92 GLN HE22 H 1 7.645037 . . . . . . . . . . . 6716 1 970 . 1 1 92 92 GLN C C 13 178.077 . . . . . . . . . . . 6716 1 971 . 1 1 92 92 GLN CA C 13 59.0215 . . . . . . . . . . . 6716 1 972 . 1 1 92 92 GLN CB C 13 28.34 . . . . . . . . . . . 6716 1 973 . 1 1 92 92 GLN CG C 13 34.18982 . . . . . . . . . . . 6716 1 974 . 1 1 92 92 GLN N N 15 117.564 . . . . . . . . . . . 6716 1 975 . 1 1 92 92 GLN NE2 N 15 113.50 . . . . . . . . . . . 6716 1 976 . 1 1 93 93 GLU H H 1 7.641 . . . . . . . . . . . 6716 1 977 . 1 1 93 93 GLU HA H 1 3.806454 . . . . . . . . . . . 6716 1 978 . 1 1 93 93 GLU HB2 H 1 2.166543 . . . . . . . . . . . 6716 1 979 . 1 1 93 93 GLU HB3 H 1 2.166543 . . . . . . . . . . . 6716 1 980 . 1 1 93 93 GLU HG2 H 1 2.15507 . . . . . . . . . . . 6716 1 981 . 1 1 93 93 GLU HG3 H 1 2.15507 . . . . . . . . . . . 6716 1 982 . 1 1 93 93 GLU C C 13 177.75 . . . . . . . . . . . 6716 1 983 . 1 1 93 93 GLU CA C 13 58.961 . . . . . . . . . . . 6716 1 984 . 1 1 93 93 GLU CB C 13 29.8115 . . . . . . . . . . . 6716 1 985 . 1 1 93 93 GLU CG C 13 37.19031 . . . . . . . . . . . 6716 1 986 . 1 1 93 93 GLU N N 15 120.618 . . . . . . . . . . . 6716 1 987 . 1 1 94 94 LEU H H 1 7.936 . . . . . . . . . . . 6716 1 988 . 1 1 94 94 LEU HA H 1 3.890394 . . . . . . . . . . . 6716 1 989 . 1 1 94 94 LEU HB2 H 1 1.674906 . . . . . . . . . . . 6716 1 990 . 1 1 94 94 LEU HB3 H 1 1.674906 . . . . . . . . . . . 6716 1 991 . 1 1 94 94 LEU HG H 1 1.661422 . . . . . . . . . . . 6716 1 992 . 1 1 94 94 LEU HD11 H 1 0.8250204 . . . . . . . . . . . 6716 1 993 . 1 1 94 94 LEU HD12 H 1 0.8250204 . . . . . . . . . . . 6716 1 994 . 1 1 94 94 LEU HD13 H 1 0.8250204 . . . . . . . . . . . 6716 1 995 . 1 1 94 94 LEU HD21 H 1 0.8070778 . . . . . . . . . . . 6716 1 996 . 1 1 94 94 LEU HD22 H 1 0.8070778 . . . . . . . . . . . 6716 1 997 . 1 1 94 94 LEU HD23 H 1 0.8070778 . . . . . . . . . . . 6716 1 998 . 1 1 94 94 LEU C C 13 178.699 . . . . . . . . . . . 6716 1 999 . 1 1 94 94 LEU CA C 13 58.461 . . . . . . . . . . . 6716 1 1000 . 1 1 94 94 LEU CB C 13 41.759 . . . . . . . . . . . 6716 1 1001 . 1 1 94 94 LEU CG C 13 26.67622 . . . . . . . . . . . 6716 1 1002 . 1 1 94 94 LEU CD1 C 13 23.83353 . . . . . . . . . . . 6716 1 1003 . 1 1 94 94 LEU CD2 C 13 24.48608 . . . . . . . . . . . 6716 1 1004 . 1 1 94 94 LEU N N 15 117.65 . . . . . . . . . . . 6716 1 1005 . 1 1 95 95 GLU H H 1 8.056 . . . . . . . . . . . 6716 1 1006 . 1 1 95 95 GLU HA H 1 3.903115 . . . . . . . . . . . 6716 1 1007 . 1 1 95 95 GLU HB2 H 1 2.053287 . . . . . . . . . . . 6716 1 1008 . 1 1 95 95 GLU HB3 H 1 2.140903 . . . . . . . . . . . 6716 1 1009 . 1 1 95 95 GLU HG2 H 1 2.329604 . . . . . . . . . . . 6716 1 1010 . 1 1 95 95 GLU HG3 H 1 2.388141 . . . . . . . . . . . 6716 1 1011 . 1 1 95 95 GLU C C 13 178.88 . . . . . . . . . . . 6716 1 1012 . 1 1 95 95 GLU CA C 13 59.342 . . . . . . . . . . . 6716 1 1013 . 1 1 95 95 GLU CB C 13 29 . . . . . . . . . . . 6716 1 1014 . 1 1 95 95 GLU CG C 13 35.630 . . . . . . . . . . . 6716 1 1015 . 1 1 95 95 GLU N N 15 116.875 . . . . . . . . . . . 6716 1 1016 . 1 1 96 96 ASP H H 1 7.798 . . . . . . . . . . . 6716 1 1017 . 1 1 96 96 ASP HA H 1 4.392841 . . . . . . . . . . . 6716 1 1018 . 1 1 96 96 ASP HB2 H 1 2.590086 . . . . . . . . . . . 6716 1 1019 . 1 1 96 96 ASP HB3 H 1 2.71625 . . . . . . . . . . . 6716 1 1020 . 1 1 96 96 ASP C C 13 178.929 . . . . . . . . . . . 6716 1 1021 . 1 1 96 96 ASP CA C 13 57.5765 . . . . . . . . . . . 6716 1 1022 . 1 1 96 96 ASP CB C 13 40.491 . . . . . . . . . . . 6716 1 1023 . 1 1 96 96 ASP N N 15 120.034 . . . . . . . . . . . 6716 1 1024 . 1 1 97 97 TYR H H 1 8.02 . . . . . . . . . . . 6716 1 1025 . 1 1 97 97 TYR HA H 1 4.702325 . . . . . . . . . . . 6716 1 1026 . 1 1 97 97 TYR HB2 H 1 3.063892 . . . . . . . . . . . 6716 1 1027 . 1 1 97 97 TYR HB3 H 1 3.338933 . . . . . . . . . . . 6716 1 1028 . 1 1 97 97 TYR HD1 H 1 7.032607 . . . . . . . . . . . 6716 1 1029 . 1 1 97 97 TYR HD2 H 1 7.032607 . . . . . . . . . . . 6716 1 1030 . 1 1 97 97 TYR HE1 H 1 6.77492 . . . . . . . . . . . 6716 1 1031 . 1 1 97 97 TYR HE2 H 1 6.77492 . . . . . . . . . . . 6716 1 1032 . 1 1 97 97 TYR C C 13 178.458 . . . . . . . . . . . 6716 1 1033 . 1 1 97 97 TYR CA C 13 59.318 . . . . . . . . . . . 6716 1 1034 . 1 1 97 97 TYR CB C 13 37.2105 . . . . . . . . . . . 6716 1 1035 . 1 1 97 97 TYR CD1 C 13 131.06 . . . . . . . . . . . 6716 1 1036 . 1 1 97 97 TYR CD2 C 13 131.06 . . . . . . . . . . . 6716 1 1037 . 1 1 97 97 TYR CE1 C 13 118.48 . . . . . . . . . . . 6716 1 1038 . 1 1 97 97 TYR CE2 C 13 118.48 . . . . . . . . . . . 6716 1 1039 . 1 1 97 97 TYR N N 15 118.431 . . . . . . . . . . . 6716 1 1040 . 1 1 98 98 ILE H H 1 8.608 . . . . . . . . . . . 6716 1 1041 . 1 1 98 98 ILE HA H 1 3.523443 . . . . . . . . . . . 6716 1 1042 . 1 1 98 98 ILE HB H 1 1.9831 . . . . . . . . . . . 6716 1 1043 . 1 1 98 98 ILE HG21 H 1 0.8316135 . . . . . . . . . . . 6716 1 1044 . 1 1 98 98 ILE HG22 H 1 0.8316135 . . . . . . . . . . . 6716 1 1045 . 1 1 98 98 ILE HG23 H 1 0.8316135 . . . . . . . . . . . 6716 1 1046 . 1 1 98 98 ILE HD11 H 1 0.7359899 . . . . . . . . . . . 6716 1 1047 . 1 1 98 98 ILE HD12 H 1 0.7359899 . . . . . . . . . . . 6716 1 1048 . 1 1 98 98 ILE HD13 H 1 0.7359899 . . . . . . . . . . . 6716 1 1049 . 1 1 98 98 ILE C C 13 177.53 . . . . . . . . . . . 6716 1 1050 . 1 1 98 98 ILE CA C 13 66.309 . . . . . . . . . . . 6716 1 1051 . 1 1 98 98 ILE CB C 13 38.14513 . . . . . . . . . . . 6716 1 1052 . 1 1 98 98 ILE CG2 C 13 17.02322 . . . . . . . . . . . 6716 1 1053 . 1 1 98 98 ILE CD1 C 13 13.76666 . . . . . . . . . . . 6716 1 1054 . 1 1 98 98 ILE N N 15 118.72 . . . . . . . . . . . 6716 1 1055 . 1 1 99 99 ARG H H 1 8.354 . . . . . . . . . . . 6716 1 1056 . 1 1 99 99 ARG HA H 1 3.959033 . . . . . . . . . . . 6716 1 1057 . 1 1 99 99 ARG HB2 H 1 2.033682 . . . . . . . . . . . 6716 1 1058 . 1 1 99 99 ARG HB3 H 1 2.033682 . . . . . . . . . . . 6716 1 1059 . 1 1 99 99 ARG HD2 H 1 3.242377 . . . . . . . . . . . 6716 1 1060 . 1 1 99 99 ARG HD3 H 1 3.242377 . . . . . . . . . . . 6716 1 1061 . 1 1 99 99 ARG C C 13 178.721 . . . . . . . . . . . 6716 1 1062 . 1 1 99 99 ARG CA C 13 60.1185 . . . . . . . . . . . 6716 1 1063 . 1 1 99 99 ARG CB C 13 29.9905 . . . . . . . . . . . 6716 1 1064 . 1 1 99 99 ARG CD C 13 43.58943 . . . . . . . . . . . 6716 1 1065 . 1 1 99 99 ARG N N 15 119.388 . . . . . . . . . . . 6716 1 1066 . 1 1 100 100 HIS H H 1 7.835 . . . . . . . . . . . 6716 1 1067 . 1 1 100 100 HIS HA H 1 4.549299 . . . . . . . . . . . 6716 1 1068 . 1 1 100 100 HIS HB2 H 1 2.990963 . . . . . . . . . . . 6716 1 1069 . 1 1 100 100 HIS HB3 H 1 3.474967 . . . . . . . . . . . 6716 1 1070 . 1 1 100 100 HIS HD2 H 1 7.120412 . . . . . . . . . . . 6716 1 1071 . 1 1 100 100 HIS C C 13 179.11 . . . . . . . . . . . 6716 1 1072 . 1 1 100 100 HIS CA C 13 60.204 . . . . . . . . . . . 6716 1 1073 . 1 1 100 100 HIS CB C 13 31.5545 . . . . . . . . . . . 6716 1 1074 . 1 1 100 100 HIS CD2 C 13 119.74 . . . . . . . . . . . 6716 1 1075 . 1 1 100 100 HIS N N 15 116.305 . . . . . . . . . . . 6716 1 1076 . 1 1 101 101 VAL H H 1 7.887 . . . . . . . . . . . 6716 1 1077 . 1 1 101 101 VAL HA H 1 3.694432 . . . . . . . . . . . 6716 1 1078 . 1 1 101 101 VAL HB H 1 2.253248 . . . . . . . . . . . 6716 1 1079 . 1 1 101 101 VAL HG11 H 1 0.9348881 . . . . . . . . . . . 6716 1 1080 . 1 1 101 101 VAL HG12 H 1 0.9348881 . . . . . . . . . . . 6716 1 1081 . 1 1 101 101 VAL HG13 H 1 0.9348881 . . . . . . . . . . . 6716 1 1082 . 1 1 101 101 VAL HG21 H 1 1.31969 . . . . . . . . . . . 6716 1 1083 . 1 1 101 101 VAL HG22 H 1 1.31969 . . . . . . . . . . . 6716 1 1084 . 1 1 101 101 VAL HG23 H 1 1.31969 . . . . . . . . . . . 6716 1 1085 . 1 1 101 101 VAL C C 13 181.309 . . . . . . . . . . . 6716 1 1086 . 1 1 101 101 VAL CA C 13 67.73 . . . . . . . . . . . 6716 1 1087 . 1 1 101 101 VAL CB C 13 32.095 . . . . . . . . . . . 6716 1 1088 . 1 1 101 101 VAL CG1 C 13 21.76387 . . . . . . . . . . . 6716 1 1089 . 1 1 101 101 VAL CG2 C 13 24.16468 . . . . . . . . . . . 6716 1 1090 . 1 1 101 101 VAL N N 15 118.435 . . . . . . . . . . . 6716 1 1091 . 1 1 102 102 LEU H H 1 8.505 . . . . . . . . . . . 6716 1 1092 . 1 1 102 102 LEU HA H 1 4.33129 . . . . . . . . . . . 6716 1 1093 . 1 1 102 102 LEU HG H 1 1.771052 . . . . . . . . . . . 6716 1 1094 . 1 1 102 102 LEU HD11 H 1 0.8795345 . . . . . . . . . . . 6716 1 1095 . 1 1 102 102 LEU HD12 H 1 0.8795345 . . . . . . . . . . . 6716 1 1096 . 1 1 102 102 LEU HD13 H 1 0.8795345 . . . . . . . . . . . 6716 1 1097 . 1 1 102 102 LEU HD21 H 1 1.040919 . . . . . . . . . . . 6716 1 1098 . 1 1 102 102 LEU HD22 H 1 1.040919 . . . . . . . . . . . 6716 1 1099 . 1 1 102 102 LEU HD23 H 1 1.040919 . . . . . . . . . . . 6716 1 1100 . 1 1 102 102 LEU CG C 13 27.18608 . . . . . . . . . . . 6716 1 1101 . 1 1 102 102 LEU CD1 C 13 25.926 . . . . . . . . . . . 6716 1 1102 . 1 1 102 102 LEU CD2 C 13 24.66608 . . . . . . . . . . . 6716 1 1103 . 1 1 102 102 LEU N N 15 117.128 . . . . . . . . . . . 6716 1 1104 . 1 1 106 106 LYS C C 13 178.767 . . . . . . . . . . . 6716 1 1105 . 1 1 107 107 TRP H H 1 8.181 . . . . . . . . . . . 6716 1 1106 . 1 1 107 107 TRP HA H 1 4.424797 . . . . . . . . . . . 6716 1 1107 . 1 1 107 107 TRP HB2 H 1 3.418636 . . . . . . . . . . . 6716 1 1108 . 1 1 107 107 TRP HB3 H 1 3.477046 . . . . . . . . . . . 6716 1 1109 . 1 1 107 107 TRP HD1 H 1 7.307136 . . . . . . . . . . . 6716 1 1110 . 1 1 107 107 TRP HE1 H 1 10.44449 . . . . . . . . . . . 6716 1 1111 . 1 1 107 107 TRP HE3 H 1 7.727681 . . . . . . . . . . . 6716 1 1112 . 1 1 107 107 TRP HZ2 H 1 7.542607 . . . . . . . . . . . 6716 1 1113 . 1 1 107 107 TRP HZ3 H 1 7.160811 . . . . . . . . . . . 6716 1 1114 . 1 1 107 107 TRP HH2 H 1 7.253505 . . . . . . . . . . . 6716 1 1115 . 1 1 107 107 TRP C C 13 179.966 . . . . . . . . . . . 6716 1 1116 . 1 1 107 107 TRP CA C 13 60.61 . . . . . . . . . . . 6716 1 1117 . 1 1 107 107 TRP CB C 13 35.81 . . . . . . . . . . . 6716 1 1118 . 1 1 107 107 TRP CD1 C 13 127.71 . . . . . . . . . . . 6716 1 1119 . 1 1 107 107 TRP CE3 C 13 121.00 . . . . . . . . . . . 6716 1 1120 . 1 1 107 107 TRP CZ2 C 13 115.13 . . . . . . . . . . . 6716 1 1121 . 1 1 107 107 TRP CZ3 C 13 122.08 . . . . . . . . . . . 6716 1 1122 . 1 1 107 107 TRP CH2 C 13 124.83 . . . . . . . . . . . 6716 1 1123 . 1 1 107 107 TRP N N 15 120.795 . . . . . . . . . . . 6716 1 1124 . 1 1 107 107 TRP NE1 N 15 128.9946 . . . . . . . . . . . 6716 1 1125 . 1 1 108 108 LEU H H 1 8.097 . . . . . . . . . . . 6716 1 1126 . 1 1 108 108 LEU HA H 1 4.154226 . . . . . . . . . . . 6716 1 1127 . 1 1 108 108 LEU HD11 H 1 0.922713 . . . . . . . . . . . 6716 1 1128 . 1 1 108 108 LEU HD12 H 1 0.922713 . . . . . . . . . . . 6716 1 1129 . 1 1 108 108 LEU HD13 H 1 0.922713 . . . . . . . . . . . 6716 1 1130 . 1 1 108 108 LEU HD21 H 1 0.922713 . . . . . . . . . . . 6716 1 1131 . 1 1 108 108 LEU HD22 H 1 0.922713 . . . . . . . . . . . 6716 1 1132 . 1 1 108 108 LEU HD23 H 1 0.922713 . . . . . . . . . . . 6716 1 1133 . 1 1 108 108 LEU C C 13 179.79 . . . . . . . . . . . 6716 1 1134 . 1 1 108 108 LEU CA C 13 57.67 . . . . . . . . . . . 6716 1 1135 . 1 1 108 108 LEU CB C 13 41.391 . . . . . . . . . . . 6716 1 1136 . 1 1 108 108 LEU CD1 C 13 22.696 . . . . . . . . . . . 6716 1 1137 . 1 1 108 108 LEU CD2 C 13 24.48608 . . . . . . . . . . . 6716 1 1138 . 1 1 108 108 LEU N N 15 119.099 . . . . . . . . . . . 6716 1 1139 . 1 1 109 109 MET H H 1 7.847 . . . . . . . . . . . 6716 1 1140 . 1 1 109 109 MET HA H 1 4.334819 . . . . . . . . . . . 6716 1 1141 . 1 1 109 109 MET HB2 H 1 2.144868 . . . . . . . . . . . 6716 1 1142 . 1 1 109 109 MET HB3 H 1 2.305372 . . . . . . . . . . . 6716 1 1143 . 1 1 109 109 MET HG2 H 1 2.667102 . . . . . . . . . . . 6716 1 1144 . 1 1 109 109 MET HG3 H 1 2.741123 . . . . . . . . . . . 6716 1 1145 . 1 1 109 109 MET HE1 H 1 2.126363 . . . . . . . . . . . 6716 1 1146 . 1 1 109 109 MET HE2 H 1 2.126363 . . . . . . . . . . . 6716 1 1147 . 1 1 109 109 MET HE3 H 1 2.126363 . . . . . . . . . . . 6716 1 1148 . 1 1 109 109 MET C C 13 178.678 . . . . . . . . . . . 6716 1 1149 . 1 1 109 109 MET CA C 13 58.0975 . . . . . . . . . . . 6716 1 1150 . 1 1 109 109 MET CB C 13 32.208 . . . . . . . . . . . 6716 1 1151 . 1 1 109 109 MET CG C 13 32.216 . . . . . . . . . . . 6716 1 1152 . 1 1 109 109 MET CE C 13 16.946 . . . . . . . . . . . 6716 1 1153 . 1 1 109 109 MET N N 15 119.053 . . . . . . . . . . . 6716 1 1154 . 1 1 110 110 LEU H H 1 7.989 . . . . . . . . . . . 6716 1 1155 . 1 1 110 110 LEU HA H 1 4.041884 . . . . . . . . . . . 6716 1 1156 . 1 1 110 110 LEU HB2 H 1 1.790565 . . . . . . . . . . . 6716 1 1157 . 1 1 110 110 LEU HB3 H 1 1.914563 . . . . . . . . . . . 6716 1 1158 . 1 1 110 110 LEU HG H 1 1.761996 . . . . . . . . . . . 6716 1 1159 . 1 1 110 110 LEU HD11 H 1 0.8995501 . . . . . . . . . . . 6716 1 1160 . 1 1 110 110 LEU HD12 H 1 0.8995501 . . . . . . . . . . . 6716 1 1161 . 1 1 110 110 LEU HD13 H 1 0.8995501 . . . . . . . . . . . 6716 1 1162 . 1 1 110 110 LEU HD21 H 1 0.9760883 . . . . . . . . . . . 6716 1 1163 . 1 1 110 110 LEU HD22 H 1 0.9760883 . . . . . . . . . . . 6716 1 1164 . 1 1 110 110 LEU HD23 H 1 0.9760883 . . . . . . . . . . . 6716 1 1165 . 1 1 110 110 LEU C C 13 178.509 . . . . . . . . . . . 6716 1 1166 . 1 1 110 110 LEU CA C 13 58.5945 . . . . . . . . . . . 6716 1 1167 . 1 1 110 110 LEU CB C 13 41.78 . . . . . . . . . . . 6716 1 1168 . 1 1 110 110 LEU CG C 13 27.27735 . . . . . . . . . . . 6716 1 1169 . 1 1 110 110 LEU CD1 C 13 25.38608 . . . . . . . . . . . 6716 1 1170 . 1 1 110 110 LEU CD2 C 13 25.92608 . . . . . . . . . . . 6716 1 1171 . 1 1 110 110 LEU N N 15 121.459 . . . . . . . . . . . 6716 1 1172 . 1 1 111 111 LYS H H 1 7.62 . . . . . . . . . . . 6716 1 1173 . 1 1 111 111 LYS HA H 1 4.195272 . . . . . . . . . . . 6716 1 1174 . 1 1 111 111 LYS HB2 H 1 2.047841 . . . . . . . . . . . 6716 1 1175 . 1 1 111 111 LYS HB3 H 1 2.047841 . . . . . . . . . . . 6716 1 1176 . 1 1 111 111 LYS HG2 H 1 1.49031 . . . . . . . . . . . 6716 1 1177 . 1 1 111 111 LYS HG3 H 1 1.56449 . . . . . . . . . . . 6716 1 1178 . 1 1 111 111 LYS HD2 H 1 1.729267 . . . . . . . . . . . 6716 1 1179 . 1 1 111 111 LYS HD3 H 1 1.729267 . . . . . . . . . . . 6716 1 1180 . 1 1 111 111 LYS HE2 H 1 3.0128 . . . . . . . . . . . 6716 1 1181 . 1 1 111 111 LYS HE3 H 1 3.0128 . . . . . . . . . . . 6716 1 1182 . 1 1 111 111 LYS C C 13 179.668 . . . . . . . . . . . 6716 1 1183 . 1 1 111 111 LYS CA C 13 58.7315 . . . . . . . . . . . 6716 1 1184 . 1 1 111 111 LYS CB C 13 31.7725 . . . . . . . . . . . 6716 1 1185 . 1 1 111 111 LYS CG C 13 25.05777 . . . . . . . . . . . 6716 1 1186 . 1 1 111 111 LYS CD C 13 28.76603 . . . . . . . . . . . 6716 1 1187 . 1 1 111 111 LYS CE C 13 42.28841 . . . . . . . . . . . 6716 1 1188 . 1 1 111 111 LYS N N 15 118.746 . . . . . . . . . . . 6716 1 1189 . 1 1 112 112 VAL H H 1 7.718 . . . . . . . . . . . 6716 1 1190 . 1 1 112 112 VAL HA H 1 3.819714 . . . . . . . . . . . 6716 1 1191 . 1 1 112 112 VAL HB H 1 2.336739 . . . . . . . . . . . 6716 1 1192 . 1 1 112 112 VAL HG11 H 1 1.004889 . . . . . . . . . . . 6716 1 1193 . 1 1 112 112 VAL HG12 H 1 1.004889 . . . . . . . . . . . 6716 1 1194 . 1 1 112 112 VAL HG13 H 1 1.004889 . . . . . . . . . . . 6716 1 1195 . 1 1 112 112 VAL HG21 H 1 1.156077 . . . . . . . . . . . 6716 1 1196 . 1 1 112 112 VAL HG22 H 1 1.156077 . . . . . . . . . . . 6716 1 1197 . 1 1 112 112 VAL HG23 H 1 1.156077 . . . . . . . . . . . 6716 1 1198 . 1 1 112 112 VAL C C 13 179.124 . . . . . . . . . . . 6716 1 1199 . 1 1 112 112 VAL CA C 13 66.6735 . . . . . . . . . . . 6716 1 1200 . 1 1 112 112 VAL CB C 13 31.731 . . . . . . . . . . . 6716 1 1201 . 1 1 112 112 VAL CG1 C 13 21.34929 . . . . . . . . . . . 6716 1 1202 . 1 1 112 112 VAL CG2 C 13 22.67476 . . . . . . . . . . . 6716 1 1203 . 1 1 112 112 VAL N N 15 121.185 . . . . . . . . . . . 6716 1 1204 . 1 1 113 113 LYS H H 1 8.191 . . . . . . . . . . . 6716 1 1205 . 1 1 113 113 LYS HA H 1 4.195272 . . . . . . . . . . . 6716 1 1206 . 1 1 113 113 LYS HB2 H 1 2.048662 . . . . . . . . . . . 6716 1 1207 . 1 1 113 113 LYS HB3 H 1 2.048662 . . . . . . . . . . . 6716 1 1208 . 1 1 113 113 LYS HG2 H 1 1.440035 . . . . . . . . . . . 6716 1 1209 . 1 1 113 113 LYS HG3 H 1 1.440035 . . . . . . . . . . . 6716 1 1210 . 1 1 113 113 LYS HD2 H 1 1.716133 . . . . . . . . . . . 6716 1 1211 . 1 1 113 113 LYS HD3 H 1 1.716133 . . . . . . . . . . . 6716 1 1212 . 1 1 113 113 LYS HE2 H 1 3.01239 . . . . . . . . . . . 6716 1 1213 . 1 1 113 113 LYS HE3 H 1 3.01239 . . . . . . . . . . . 6716 1 1214 . 1 1 113 113 LYS C C 13 178.005 . . . . . . . . . . . 6716 1 1215 . 1 1 113 113 LYS CA C 13 58.6645 . . . . . . . . . . . 6716 1 1216 . 1 1 113 113 LYS CB C 13 31.9285 . . . . . . . . . . . 6716 1 1217 . 1 1 113 113 LYS CG C 13 24.99287 . . . . . . . . . . . 6716 1 1218 . 1 1 113 113 LYS CD C 13 28.80023 . . . . . . . . . . . 6716 1 1219 . 1 1 113 113 LYS CE C 13 42.2963 . . . . . . . . . . . 6716 1 1220 . 1 1 113 113 LYS N N 15 120.101 . . . . . . . . . . . 6716 1 1221 . 1 1 114 114 GLU H H 1 8.418 . . . . . . . . . . . 6716 1 1222 . 1 1 114 114 GLU HA H 1 3.947 . . . . . . . . . . . 6716 1 1223 . 1 1 114 114 GLU HB2 H 1 2.249736 . . . . . . . . . . . 6716 1 1224 . 1 1 114 114 GLU HB3 H 1 2.249736 . . . . . . . . . . . 6716 1 1225 . 1 1 114 114 GLU HG2 H 1 2.303105 . . . . . . . . . . . 6716 1 1226 . 1 1 114 114 GLU HG3 H 1 2.401308 . . . . . . . . . . . 6716 1 1227 . 1 1 114 114 GLU C C 13 179.508 . . . . . . . . . . . 6716 1 1228 . 1 1 114 114 GLU CA C 13 60.0835 . . . . . . . . . . . 6716 1 1229 . 1 1 114 114 GLU CB C 13 29.6675 . . . . . . . . . . . 6716 1 1230 . 1 1 114 114 GLU CG C 13 36.44183 . . . . . . . . . . . 6716 1 1231 . 1 1 114 114 GLU N N 15 120.068 . . . . . . . . . . . 6716 1 1232 . 1 1 115 115 GLN H H 1 7.753 . . . . . . . . . . . 6716 1 1233 . 1 1 115 115 GLN HA H 1 4.19319 . . . . . . . . . . . 6716 1 1234 . 1 1 115 115 GLN HB2 H 1 2.309799 . . . . . . . . . . . 6716 1 1235 . 1 1 115 115 GLN HB3 H 1 2.376685 . . . . . . . . . . . 6716 1 1236 . 1 1 115 115 GLN HG2 H 1 2.500585 . . . . . . . . . . . 6716 1 1237 . 1 1 115 115 GLN HG3 H 1 2.594226 . . . . . . . . . . . 6716 1 1238 . 1 1 115 115 GLN HE21 H 1 6.891301 . . . . . . . . . . . 6716 1 1239 . 1 1 115 115 GLN HE22 H 1 7.675243 . . . . . . . . . . . 6716 1 1240 . 1 1 115 115 GLN C C 13 178.676 . . . . . . . . . . . 6716 1 1241 . 1 1 115 115 GLN CA C 13 59.0005 . . . . . . . . . . . 6716 1 1242 . 1 1 115 115 GLN CB C 13 28.143 . . . . . . . . . . . 6716 1 1243 . 1 1 115 115 GLN CG C 13 33.95795 . . . . . . . . . . . 6716 1 1244 . 1 1 115 115 GLN N N 15 119.682 . . . . . . . . . . . 6716 1 1245 . 1 1 115 115 GLN NE2 N 15 111.97 . . . . . . . . . . . 6716 1 1246 . 1 1 116 116 GLU H H 1 8.461 . . . . . . . . . . . 6716 1 1247 . 1 1 116 116 GLU HA H 1 4.109744 . . . . . . . . . . . 6716 1 1248 . 1 1 116 116 GLU HB2 H 1 2.069962 . . . . . . . . . . . 6716 1 1249 . 1 1 116 116 GLU HB3 H 1 2.191239 . . . . . . . . . . . 6716 1 1250 . 1 1 116 116 GLU HG2 H 1 2.394734 . . . . . . . . . . . 6716 1 1251 . 1 1 116 116 GLU HG3 H 1 2.597825 . . . . . . . . . . . 6716 1 1252 . 1 1 116 116 GLU C C 13 180.128 . . . . . . . . . . . 6716 1 1253 . 1 1 116 116 GLU CA C 13 59.7085 . . . . . . . . . . . 6716 1 1254 . 1 1 116 116 GLU CB C 13 30.006 . . . . . . . . . . . 6716 1 1255 . 1 1 116 116 GLU CG C 13 36.42855 . . . . . . . . . . . 6716 1 1256 . 1 1 116 116 GLU N N 15 121.628 . . . . . . . . . . . 6716 1 1257 . 1 1 117 117 LYS H H 1 9.033 . . . . . . . . . . . 6716 1 1258 . 1 1 117 117 LYS HA H 1 3.834093 . . . . . . . . . . . 6716 1 1259 . 1 1 117 117 LYS C C 13 177.686 . . . . . . . . . . . 6716 1 1260 . 1 1 117 117 LYS CA C 13 60.949 . . . . . . . . . . . 6716 1 1261 . 1 1 117 117 LYS CB C 13 32.117 . . . . . . . . . . . 6716 1 1262 . 1 1 117 117 LYS N N 15 123.103 . . . . . . . . . . . 6716 1 1263 . 1 1 118 118 THR H H 1 8.234 . . . . . . . . . . . 6716 1 1264 . 1 1 118 118 THR HA H 1 4.080557 . . . . . . . . . . . 6716 1 1265 . 1 1 118 118 THR HB H 1 4.398613 . . . . . . . . . . . 6716 1 1266 . 1 1 118 118 THR HG21 H 1 1.331696 . . . . . . . . . . . 6716 1 1267 . 1 1 118 118 THR HG22 H 1 1.331696 . . . . . . . . . . . 6716 1 1268 . 1 1 118 118 THR HG23 H 1 1.331696 . . . . . . . . . . . 6716 1 1269 . 1 1 118 118 THR C C 13 177.107 . . . . . . . . . . . 6716 1 1270 . 1 1 118 118 THR CA C 13 66.657 . . . . . . . . . . . 6716 1 1271 . 1 1 118 118 THR CB C 13 68.61 . . . . . . . . . . . 6716 1 1272 . 1 1 118 118 THR CG2 C 13 21.91373 . . . . . . . . . . . 6716 1 1273 . 1 1 118 118 THR N N 15 116.493 . . . . . . . . . . . 6716 1 1274 . 1 1 119 119 GLU H H 1 8.351 . . . . . . . . . . . 6716 1 1275 . 1 1 119 119 GLU HA H 1 4.110165 . . . . . . . . . . . 6716 1 1276 . 1 1 119 119 GLU HB2 H 1 2.0677 . . . . . . . . . . . 6716 1 1277 . 1 1 119 119 GLU HB3 H 1 2.150544 . . . . . . . . . . . 6716 1 1278 . 1 1 119 119 GLU HG2 H 1 2.360344 . . . . . . . . . . . 6716 1 1279 . 1 1 119 119 GLU HG3 H 1 2.360344 . . . . . . . . . . . 6716 1 1280 . 1 1 119 119 GLU C C 13 178.677 . . . . . . . . . . . 6716 1 1281 . 1 1 119 119 GLU CA C 13 59.4265 . . . . . . . . . . . 6716 1 1282 . 1 1 119 119 GLU CB C 13 29.066 . . . . . . . . . . . 6716 1 1283 . 1 1 119 119 GLU CG C 13 36.20506 . . . . . . . . . . . 6716 1 1284 . 1 1 119 119 GLU N N 15 122.121 . . . . . . . . . . . 6716 1 1285 . 1 1 120 120 ALA H H 1 8.077 . . . . . . . . . . . 6716 1 1286 . 1 1 120 120 ALA HA H 1 4.101955 . . . . . . . . . . . 6716 1 1287 . 1 1 120 120 ALA HB1 H 1 1.589723 . . . . . . . . . . . 6716 1 1288 . 1 1 120 120 ALA HB2 H 1 1.589723 . . . . . . . . . . . 6716 1 1289 . 1 1 120 120 ALA HB3 H 1 1.589723 . . . . . . . . . . . 6716 1 1290 . 1 1 120 120 ALA C C 13 179.767 . . . . . . . . . . . 6716 1 1291 . 1 1 120 120 ALA CA C 13 55.5055 . . . . . . . . . . . 6716 1 1292 . 1 1 120 120 ALA CB C 13 16.713 . . . . . . . . . . . 6716 1 1293 . 1 1 120 120 ALA N N 15 122.225 . . . . . . . . . . . 6716 1 1294 . 1 1 121 121 GLU H H 1 8.393 . . . . . . . . . . . 6716 1 1295 . 1 1 121 121 GLU C C 13 181.051 . . . . . . . . . . . 6716 1 1296 . 1 1 121 121 GLU CA C 13 59.875 . . . . . . . . . . . 6716 1 1297 . 1 1 121 121 GLU CB C 13 29.522 . . . . . . . . . . . 6716 1 1298 . 1 1 121 121 GLU N N 15 118.012 . . . . . . . . . . . 6716 1 1299 . 1 1 122 122 ARG H H 1 8.41 . . . . . . . . . . . 6716 1 1300 . 1 1 122 122 ARG HA H 1 4.08313 . . . . . . . . . . . 6716 1 1301 . 1 1 122 122 ARG HB2 H 1 2.022807 . . . . . . . . . . . 6716 1 1302 . 1 1 122 122 ARG HB3 H 1 2.022807 . . . . . . . . . . . 6716 1 1303 . 1 1 122 122 ARG HG2 H 1 1.728629 . . . . . . . . . . . 6716 1 1304 . 1 1 122 122 ARG HG3 H 1 1.885425 . . . . . . . . . . . 6716 1 1305 . 1 1 122 122 ARG HD2 H 1 3.234725 . . . . . . . . . . . 6716 1 1306 . 1 1 122 122 ARG HD3 H 1 3.234725 . . . . . . . . . . . 6716 1 1307 . 1 1 122 122 ARG C C 13 178.13 . . . . . . . . . . . 6716 1 1308 . 1 1 122 122 ARG CA C 13 59.715 . . . . . . . . . . . 6716 1 1309 . 1 1 122 122 ARG CB C 13 30.021 . . . . . . . . . . . 6716 1 1310 . 1 1 122 122 ARG CG C 13 27.5852 . . . . . . . . . . . 6716 1 1311 . 1 1 122 122 ARG CD C 13 43.53882 . . . . . . . . . . . 6716 1 1312 . 1 1 122 122 ARG N N 15 122.559 . . . . . . . . . . . 6716 1 1313 . 1 1 123 123 ARG H H 1 7.475 . . . . . . . . . . . 6716 1 1314 . 1 1 123 123 ARG HA H 1 4.432622 . . . . . . . . . . . 6716 1 1315 . 1 1 123 123 ARG HG2 H 1 1.722398 . . . . . . . . . . . 6716 1 1316 . 1 1 123 123 ARG HG3 H 1 1.893098 . . . . . . . . . . . 6716 1 1317 . 1 1 123 123 ARG HD2 H 1 3.265941 . . . . . . . . . . . 6716 1 1318 . 1 1 123 123 ARG C C 13 175.045 . . . . . . . . . . . 6716 1 1319 . 1 1 123 123 ARG CA C 13 55.942 . . . . . . . . . . . 6716 1 1320 . 1 1 123 123 ARG CG C 13 27.726 . . . . . . . . . . . 6716 1 1321 . 1 1 123 123 ARG CD C 13 43.36 . . . . . . . . . . . 6716 1 1322 . 1 1 123 123 ARG N N 15 115.651 . . . . . . . . . . . 6716 1 1323 . 1 1 124 124 LYS H H 1 7.789 . . . . . . . . . . . 6716 1 1324 . 1 1 124 124 LYS HA H 1 3.061371 . . . . . . . . . . . 6716 1 1325 . 1 1 124 124 LYS HB2 H 1 1.768999 . . . . . . . . . . . 6716 1 1326 . 1 1 124 124 LYS HB3 H 1 1.433645 . . . . . . . . . . . 6716 1 1327 . 1 1 124 124 LYS HG2 H 1 1.443616 . . . . . . . . . . . 6716 1 1328 . 1 1 124 124 LYS HG3 H 1 1.443616 . . . . . . . . . . . 6716 1 1329 . 1 1 124 124 LYS HD2 H 1 1.705306 . . . . . . . . . . . 6716 1 1330 . 1 1 124 124 LYS HD3 H 1 1.705306 . . . . . . . . . . . 6716 1 1331 . 1 1 124 124 LYS HE2 H 1 3.011312 . . . . . . . . . . . 6716 1 1332 . 1 1 124 124 LYS HE3 H 1 3.011312 . . . . . . . . . . . 6716 1 1333 . 1 1 124 124 LYS C C 13 175.624 . . . . . . . . . . . 6716 1 1334 . 1 1 124 124 LYS CA C 13 57.199 . . . . . . . . . . . 6716 1 1335 . 1 1 124 124 LYS CB C 13 32.653 . . . . . . . . . . . 6716 1 1336 . 1 1 124 124 LYS CG C 13 24.9424 . . . . . . . . . . . 6716 1 1337 . 1 1 124 124 LYS CD C 13 29.41156 . . . . . . . . . . . 6716 1 1338 . 1 1 124 124 LYS CE C 13 42.2437 . . . . . . . . . . . 6716 1 1339 . 1 1 124 124 LYS N N 15 115.283 . . . . . . . . . . . 6716 1 1340 . 1 1 125 125 ASP H H 1 8.178 . . . . . . . . . . . 6716 1 1341 . 1 1 125 125 ASP HA H 1 4.213138 . . . . . . . . . . . 6716 1 1342 . 1 1 125 125 ASP HB2 H 1 1.578314 . . . . . . . . . . . 6716 1 1343 . 1 1 125 125 ASP HB3 H 1 1.578314 . . . . . . . . . . . 6716 1 1344 . 1 1 125 125 ASP C C 13 176.089 . . . . . . . . . . . 6716 1 1345 . 1 1 125 125 ASP CA C 13 54.7635 . . . . . . . . . . . 6716 1 1346 . 1 1 125 125 ASP CB C 13 40.926 . . . . . . . . . . . 6716 1 1347 . 1 1 125 125 ASP N N 15 120.073 . . . . . . . . . . . 6716 1 1348 . 1 1 126 126 PHE H H 1 7.976 . . . . . . . . . . . 6716 1 1349 . 1 1 126 126 PHE HA H 1 4.616858 . . . . . . . . . . . 6716 1 1350 . 1 1 126 126 PHE HB2 H 1 3.094192 . . . . . . . . . . . 6716 1 1351 . 1 1 126 126 PHE HB3 H 1 3.20594 . . . . . . . . . . . 6716 1 1352 . 1 1 126 126 PHE C C 13 175.726 . . . . . . . . . . . 6716 1 1353 . 1 1 126 126 PHE CA C 13 58.138 . . . . . . . . . . . 6716 1 1354 . 1 1 126 126 PHE CB C 13 39.317 . . . . . . . . . . . 6716 1 1355 . 1 1 126 126 PHE N N 15 119.324 . . . . . . . . . . . 6716 1 1356 . 1 1 127 127 LEU H H 1 8.119 . . . . . . . . . . . 6716 1 1357 . 1 1 127 127 LEU HA H 1 4.406 . . . . . . . . . . . 6716 1 1358 . 1 1 127 127 LEU HB2 H 1 1.594413 . . . . . . . . . . . 6716 1 1359 . 1 1 127 127 LEU HB3 H 1 1.594413 . . . . . . . . . . . 6716 1 1360 . 1 1 127 127 LEU HG H 1 1.607166 . . . . . . . . . . . 6716 1 1361 . 1 1 127 127 LEU HD11 H 1 0.8915425 . . . . . . . . . . . 6716 1 1362 . 1 1 127 127 LEU HD12 H 1 0.8915425 . . . . . . . . . . . 6716 1 1363 . 1 1 127 127 LEU HD13 H 1 0.8915425 . . . . . . . . . . . 6716 1 1364 . 1 1 127 127 LEU HD21 H 1 0.927372 . . . . . . . . . . . 6716 1 1365 . 1 1 127 127 LEU HD22 H 1 0.927372 . . . . . . . . . . . 6716 1 1366 . 1 1 127 127 LEU HD23 H 1 0.927372 . . . . . . . . . . . 6716 1 1367 . 1 1 127 127 LEU C C 13 177.375 . . . . . . . . . . . 6716 1 1368 . 1 1 127 127 LEU CA C 13 55.487 . . . . . . . . . . . 6716 1 1369 . 1 1 127 127 LEU CB C 13 42.4285 . . . . . . . . . . . 6716 1 1370 . 1 1 127 127 LEU CG C 13 26.92056 . . . . . . . . . . . 6716 1 1371 . 1 1 127 127 LEU CD1 C 13 23.65854 . . . . . . . . . . . 6716 1 1372 . 1 1 127 127 LEU CD2 C 13 24.98259 . . . . . . . . . . . 6716 1 1373 . 1 1 127 127 LEU N N 15 122.489 . . . . . . . . . . . 6716 1 1374 . 1 1 128 128 THR H H 1 8.02 . . . . . . . . . . . 6716 1 1375 . 1 1 128 128 THR HA H 1 4.365012 . . . . . . . . . . . 6716 1 1376 . 1 1 128 128 THR HB H 1 4.290514 . . . . . . . . . . . 6716 1 1377 . 1 1 128 128 THR HG21 H 1 1.233385 . . . . . . . . . . . 6716 1 1378 . 1 1 128 128 THR HG22 H 1 1.233385 . . . . . . . . . . . 6716 1 1379 . 1 1 128 128 THR HG23 H 1 1.233385 . . . . . . . . . . . 6716 1 1380 . 1 1 128 128 THR C C 13 173.353 . . . . . . . . . . . 6716 1 1381 . 1 1 128 128 THR CA C 13 61.678 . . . . . . . . . . . 6716 1 1382 . 1 1 128 128 THR CB C 13 69.8105 . . . . . . . . . . . 6716 1 1383 . 1 1 128 128 THR CG2 C 13 21.62391 . . . . . . . . . . . 6716 1 1384 . 1 1 128 128 THR N N 15 114.455 . . . . . . . . . . . 6716 1 1385 . 1 1 129 129 ALA H H 1 7.93 . . . . . . . . . . . 6716 1 1386 . 1 1 129 129 ALA HA H 1 4.362881 . . . . . . . . . . . 6716 1 1387 . 1 1 129 129 ALA HB1 H 1 1.376416 . . . . . . . . . . . 6716 1 1388 . 1 1 129 129 ALA HB2 H 1 1.376416 . . . . . . . . . . . 6716 1 1389 . 1 1 129 129 ALA HB3 H 1 1.376416 . . . . . . . . . . . 6716 1 1390 . 1 1 129 129 ALA C C 13 180.462 . . . . . . . . . . . 6716 1 1391 . 1 1 129 129 ALA CA C 13 55.303 . . . . . . . . . . . 6716 1 1392 . 1 1 129 129 ALA CB C 13 19.623 . . . . . . . . . . . 6716 1 1393 . 1 1 129 129 ALA N N 15 132.028 . . . . . . . . . . . 6716 1 1394 . 1 1 130 130 ALA H H 1 8.002 . . . . . . . . . . . 6716 1 1395 . 1 1 130 130 ALA HA H 1 4.262053 . . . . . . . . . . . 6716 1 1396 . 1 1 130 130 ALA HB1 H 1 1.582647 . . . . . . . . . . . 6716 1 1397 . 1 1 130 130 ALA HB2 H 1 1.582647 . . . . . . . . . . . 6716 1 1398 . 1 1 130 130 ALA HB3 H 1 1.582647 . . . . . . . . . . . 6716 1 1399 . 1 1 130 130 ALA C C 13 180.591 . . . . . . . . . . . 6716 1 1400 . 1 1 130 130 ALA CA C 13 54.9105 . . . . . . . . . . . 6716 1 1401 . 1 1 130 130 ALA CB C 13 18.3015 . . . . . . . . . . . 6716 1 1402 . 1 1 130 130 ALA N N 15 118.446 . . . . . . . . . . . 6716 1 1403 . 1 1 131 131 ARG H H 1 7.747 . . . . . . . . . . . 6716 1 1404 . 1 1 131 131 ARG HA H 1 4.13969 . . . . . . . . . . . 6716 1 1405 . 1 1 131 131 ARG HB2 H 1 2.024859 . . . . . . . . . . . 6716 1 1406 . 1 1 131 131 ARG HB3 H 1 2.135428 . . . . . . . . . . . 6716 1 1407 . 1 1 131 131 ARG HG2 H 1 1.637336 . . . . . . . . . . . 6716 1 1408 . 1 1 131 131 ARG HG3 H 1 1.637336 . . . . . . . . . . . 6716 1 1409 . 1 1 131 131 ARG HD2 H 1 3.234315 . . . . . . . . . . . 6716 1 1410 . 1 1 131 131 ARG HD3 H 1 3.234315 . . . . . . . . . . . 6716 1 1411 . 1 1 131 131 ARG C C 13 179.401 . . . . . . . . . . . 6716 1 1412 . 1 1 131 131 ARG CA C 13 59.7665 . . . . . . . . . . . 6716 1 1413 . 1 1 131 131 ARG CB C 13 29.6015 . . . . . . . . . . . 6716 1 1414 . 1 1 131 131 ARG CG C 13 27.65273 . . . . . . . . . . . 6716 1 1415 . 1 1 131 131 ARG CD C 13 43.61161 . . . . . . . . . . . 6716 1 1416 . 1 1 131 131 ARG N N 15 121.194 . . . . . . . . . . . 6716 1 1417 . 1 1 132 132 ILE H H 1 8.452 . . . . . . . . . . . 6716 1 1418 . 1 1 132 132 ILE HA H 1 3.820369 . . . . . . . . . . . 6716 1 1419 . 1 1 132 132 ILE HB H 1 1.684412 . . . . . . . . . . . 6716 1 1420 . 1 1 132 132 ILE HG12 H 1 1.087596 . . . . . . . . . . . 6716 1 1421 . 1 1 132 132 ILE HG13 H 1 1.087596 . . . . . . . . . . . 6716 1 1422 . 1 1 132 132 ILE HG21 H 1 1.048588 . . . . . . . . . . . 6716 1 1423 . 1 1 132 132 ILE HG22 H 1 1.048588 . . . . . . . . . . . 6716 1 1424 . 1 1 132 132 ILE HG23 H 1 1.048588 . . . . . . . . . . . 6716 1 1425 . 1 1 132 132 ILE HD11 H 1 0.7432474 . . . . . . . . . . . 6716 1 1426 . 1 1 132 132 ILE HD12 H 1 0.7432474 . . . . . . . . . . . 6716 1 1427 . 1 1 132 132 ILE HD13 H 1 0.7432474 . . . . . . . . . . . 6716 1 1428 . 1 1 132 132 ILE C C 13 178.42 . . . . . . . . . . . 6716 1 1429 . 1 1 132 132 ILE CA C 13 65.044 . . . . . . . . . . . 6716 1 1430 . 1 1 132 132 ILE CB C 13 38.3475 . . . . . . . . . . . 6716 1 1431 . 1 1 132 132 ILE CG1 C 13 28.62608 . . . . . . . . . . . 6716 1 1432 . 1 1 132 132 ILE CG2 C 13 20.08234 . . . . . . . . . . . 6716 1 1433 . 1 1 132 132 ILE CD1 C 13 14.25427 . . . . . . . . . . . 6716 1 1434 . 1 1 132 132 ILE N N 15 120.553 . . . . . . . . . . . 6716 1 1435 . 1 1 133 133 ALA H H 1 8.561 . . . . . . . . . . . 6716 1 1436 . 1 1 133 133 ALA HA H 1 4.126852 . . . . . . . . . . . 6716 1 1437 . 1 1 133 133 ALA HB1 H 1 1.579955 . . . . . . . . . . . 6716 1 1438 . 1 1 133 133 ALA HB2 H 1 1.579955 . . . . . . . . . . . 6716 1 1439 . 1 1 133 133 ALA HB3 H 1 1.579955 . . . . . . . . . . . 6716 1 1440 . 1 1 133 133 ALA C C 13 180.584 . . . . . . . . . . . 6716 1 1441 . 1 1 133 133 ALA CA C 13 55.778 . . . . . . . . . . . 6716 1 1442 . 1 1 133 133 ALA CB C 13 18.0675 . . . . . . . . . . . 6716 1 1443 . 1 1 133 133 ALA N N 15 122.169 . . . . . . . . . . . 6716 1 1444 . 1 1 134 134 LYS H H 1 7.631 . . . . . . . . . . . 6716 1 1445 . 1 1 134 134 LYS HA H 1 4.115049 . . . . . . . . . . . 6716 1 1446 . 1 1 134 134 LYS HB2 H 1 2.058204 . . . . . . . . . . . 6716 1 1447 . 1 1 134 134 LYS HB3 H 1 2.058283 . . . . . . . . . . . 6716 1 1448 . 1 1 134 134 LYS HG2 H 1 1.448022 . . . . . . . . . . . 6716 1 1449 . 1 1 134 134 LYS HG3 H 1 1.662059 . . . . . . . . . . . 6716 1 1450 . 1 1 134 134 LYS HD2 H 1 1.74795 . . . . . . . . . . . 6716 1 1451 . 1 1 134 134 LYS HD3 H 1 1.74795 . . . . . . . . . . . 6716 1 1452 . 1 1 134 134 LYS HE2 H 1 3.015365 . . . . . . . . . . . 6716 1 1453 . 1 1 134 134 LYS HE3 H 1 3.015365 . . . . . . . . . . . 6716 1 1454 . 1 1 134 134 LYS C C 13 179.297 . . . . . . . . . . . 6716 1 1455 . 1 1 134 134 LYS CA C 13 59.844 . . . . . . . . . . . 6716 1 1456 . 1 1 134 134 LYS CB C 13 32.238 . . . . . . . . . . . 6716 1 1457 . 1 1 134 134 LYS CG C 13 25.42606 . . . . . . . . . . . 6716 1 1458 . 1 1 134 134 LYS CD C 13 29.6269 . . . . . . . . . . . 6716 1 1459 . 1 1 134 134 LYS CE C 13 42.30039 . . . . . . . . . . . 6716 1 1460 . 1 1 134 134 LYS N N 15 117.897 . . . . . . . . . . . 6716 1 1461 . 1 1 135 135 GLU H H 1 8.03 . . . . . . . . . . . 6716 1 1462 . 1 1 135 135 GLU HA H 1 4.108028 . . . . . . . . . . . 6716 1 1463 . 1 1 135 135 GLU HB2 H 1 2.06345 . . . . . . . . . . . 6716 1 1464 . 1 1 135 135 GLU HB3 H 1 2.06345 . . . . . . . . . . . 6716 1 1465 . 1 1 135 135 GLU HG2 H 1 2.392292 . . . . . . . . . . . 6716 1 1466 . 1 1 135 135 GLU HG3 H 1 2.392292 . . . . . . . . . . . 6716 1 1467 . 1 1 135 135 GLU C C 13 180.338 . . . . . . . . . . . 6716 1 1468 . 1 1 135 135 GLU CA C 13 59.5725 . . . . . . . . . . . 6716 1 1469 . 1 1 135 135 GLU CB C 13 29.7345 . . . . . . . . . . . 6716 1 1470 . 1 1 135 135 GLU CG C 13 36.52837 . . . . . . . . . . . 6716 1 1471 . 1 1 135 135 GLU N N 15 120.797 . . . . . . . . . . . 6716 1 1472 . 1 1 136 136 MET H H 1 8.784 . . . . . . . . . . . 6716 1 1473 . 1 1 136 136 MET HA H 1 3.943992 . . . . . . . . . . . 6716 1 1474 . 1 1 136 136 MET HB2 H 1 2.323042 . . . . . . . . . . . 6716 1 1475 . 1 1 136 136 MET HB3 H 1 2.390977 . . . . . . . . . . . 6716 1 1476 . 1 1 136 136 MET HG2 H 1 2.068209 . . . . . . . . . . . 6716 1 1477 . 1 1 136 136 MET HG3 H 1 2.107103 . . . . . . . . . . . 6716 1 1478 . 1 1 136 136 MET HE1 H 1 2.184144 . . . . . . . . . . . 6716 1 1479 . 1 1 136 136 MET HE2 H 1 2.184144 . . . . . . . . . . . 6716 1 1480 . 1 1 136 136 MET HE3 H 1 2.184144 . . . . . . . . . . . 6716 1 1481 . 1 1 136 136 MET C C 13 177.999 . . . . . . . . . . . 6716 1 1482 . 1 1 136 136 MET CA C 13 60.116 . . . . . . . . . . . 6716 1 1483 . 1 1 136 136 MET CB C 13 36.54702 . . . . . . . . . . . 6716 1 1484 . 1 1 136 136 MET CG C 13 29.77583 . . . . . . . . . . . 6716 1 1485 . 1 1 136 136 MET CE C 13 16.406 . . . . . . . . . . . 6716 1 1486 . 1 1 136 136 MET N N 15 118.337 . . . . . . . . . . . 6716 1 1487 . 1 1 137 137 ILE H H 1 7.826 . . . . . . . . . . . 6716 1 1488 . 1 1 137 137 ILE HA H 1 3.716668 . . . . . . . . . . . 6716 1 1489 . 1 1 137 137 ILE HB H 1 2.099672 . . . . . . . . . . . 6716 1 1490 . 1 1 137 137 ILE HG12 H 1 1.2795 . . . . . . . . . . . 6716 1 1491 . 1 1 137 137 ILE HG13 H 1 1.85182 . . . . . . . . . . . 6716 1 1492 . 1 1 137 137 ILE HG21 H 1 0.9891185 . . . . . . . . . . . 6716 1 1493 . 1 1 137 137 ILE HG22 H 1 0.9891185 . . . . . . . . . . . 6716 1 1494 . 1 1 137 137 ILE HG23 H 1 0.9891185 . . . . . . . . . . . 6716 1 1495 . 1 1 137 137 ILE HD11 H 1 0.9390596 . . . . . . . . . . . 6716 1 1496 . 1 1 137 137 ILE HD12 H 1 0.9390596 . . . . . . . . . . . 6716 1 1497 . 1 1 137 137 ILE HD13 H 1 0.9390596 . . . . . . . . . . . 6716 1 1498 . 1 1 137 137 ILE C C 13 178.969 . . . . . . . . . . . 6716 1 1499 . 1 1 137 137 ILE CA C 13 65.393 . . . . . . . . . . . 6716 1 1500 . 1 1 137 137 ILE CB C 13 38.055 . . . . . . . . . . . 6716 1 1501 . 1 1 137 137 ILE CG1 C 13 29.52835 . . . . . . . . . . . 6716 1 1502 . 1 1 137 137 ILE CG2 C 13 17.27256 . . . . . . . . . . . 6716 1 1503 . 1 1 137 137 ILE CD1 C 13 13.23281 . . . . . . . . . . . 6716 1 1504 . 1 1 137 137 ILE N N 15 120.466 . . . . . . . . . . . 6716 1 1505 . 1 1 138 138 GLU H H 1 7.672 . . . . . . . . . . . 6716 1 1506 . 1 1 138 138 GLU HA H 1 4.083951 . . . . . . . . . . . 6716 1 1507 . 1 1 138 138 GLU HB2 H 1 2.138746 . . . . . . . . . . . 6716 1 1508 . 1 1 138 138 GLU HB3 H 1 2.138746 . . . . . . . . . . . 6716 1 1509 . 1 1 138 138 GLU HG2 H 1 2.414228 . . . . . . . . . . . 6716 1 1510 . 1 1 138 138 GLU HG3 H 1 2.414228 . . . . . . . . . . . 6716 1 1511 . 1 1 138 138 GLU C C 13 179.447 . . . . . . . . . . . 6716 1 1512 . 1 1 138 138 GLU CA C 13 59.1105 . . . . . . . . . . . 6716 1 1513 . 1 1 138 138 GLU CB C 13 29.0285 . . . . . . . . . . . 6716 1 1514 . 1 1 138 138 GLU CG C 13 36.24627 . . . . . . . . . . . 6716 1 1515 . 1 1 138 138 GLU N N 15 119.173 . . . . . . . . . . . 6716 1 1516 . 1 1 139 139 MET H H 1 8.243 . . . . . . . . . . . 6716 1 1517 . 1 1 139 139 MET HA H 1 4.110729 . . . . . . . . . . . 6716 1 1518 . 1 1 139 139 MET HB2 H 1 2.037362 . . . . . . . . . . . 6716 1 1519 . 1 1 139 139 MET HB3 H 1 2.212972 . . . . . . . . . . . 6716 1 1520 . 1 1 139 139 MET HG2 H 1 2.472484 . . . . . . . . . . . 6716 1 1521 . 1 1 139 139 MET HG3 H 1 2.755725 . . . . . . . . . . . 6716 1 1522 . 1 1 139 139 MET HE1 H 1 2.12246 . . . . . . . . . . . 6716 1 1523 . 1 1 139 139 MET HE2 H 1 2.12246 . . . . . . . . . . . 6716 1 1524 . 1 1 139 139 MET HE3 H 1 2.12246 . . . . . . . . . . . 6716 1 1525 . 1 1 139 139 MET C C 13 178.622 . . . . . . . . . . . 6716 1 1526 . 1 1 139 139 MET CA C 13 59.236 . . . . . . . . . . . 6716 1 1527 . 1 1 139 139 MET CB C 13 33.54 . . . . . . . . . . . 6716 1 1528 . 1 1 139 139 MET CG C 13 32.576 . . . . . . . . . . . 6716 1 1529 . 1 1 139 139 MET CE C 13 16.94608 . . . . . . . . . . . 6716 1 1530 . 1 1 139 139 MET N N 15 119.22 . . . . . . . . . . . 6716 1 1531 . 1 1 140 140 LYS H H 1 8.436 . . . . . . . . . . . 6716 1 1532 . 1 1 140 140 LYS HA H 1 3.804521 . . . . . . . . . . . 6716 1 1533 . 1 1 140 140 LYS HB2 H 1 1.967911 . . . . . . . . . . . 6716 1 1534 . 1 1 140 140 LYS HB3 H 1 2.059482 . . . . . . . . . . . 6716 1 1535 . 1 1 140 140 LYS HG2 H 1 1.497134 . . . . . . . . . . . 6716 1 1536 . 1 1 140 140 LYS HG3 H 1 1.666642 . . . . . . . . . . . 6716 1 1537 . 1 1 140 140 LYS HD2 H 1 1.723823 . . . . . . . . . . . 6716 1 1538 . 1 1 140 140 LYS HD3 H 1 1.723823 . . . . . . . . . . . 6716 1 1539 . 1 1 140 140 LYS HE2 H 1 3.126997 . . . . . . . . . . . 6716 1 1540 . 1 1 140 140 LYS HE3 H 1 3.126997 . . . . . . . . . . . 6716 1 1541 . 1 1 140 140 LYS C C 13 179.187 . . . . . . . . . . . 6716 1 1542 . 1 1 140 140 LYS CA C 13 60.141 . . . . . . . . . . . 6716 1 1543 . 1 1 140 140 LYS CB C 13 32.333 . . . . . . . . . . . 6716 1 1544 . 1 1 140 140 LYS CG C 13 25.40576 . . . . . . . . . . . 6716 1 1545 . 1 1 140 140 LYS CD C 13 29.6649 . . . . . . . . . . . 6716 1 1546 . 1 1 140 140 LYS CE C 13 42.64601 . . . . . . . . . . . 6716 1 1547 . 1 1 140 140 LYS N N 15 118.825 . . . . . . . . . . . 6716 1 1548 . 1 1 141 141 LYS H H 1 7.796 . . . . . . . . . . . 6716 1 1549 . 1 1 141 141 LYS HA H 1 4.12417 . . . . . . . . . . . 6716 1 1550 . 1 1 141 141 LYS HB2 H 1 2.058512 . . . . . . . . . . . 6716 1 1551 . 1 1 141 141 LYS HB3 H 1 2.058512 . . . . . . . . . . . 6716 1 1552 . 1 1 141 141 LYS HG2 H 1 1.502314 . . . . . . . . . . . 6716 1 1553 . 1 1 141 141 LYS HG3 H 1 1.662986 . . . . . . . . . . . 6716 1 1554 . 1 1 141 141 LYS HD2 H 1 1.714492 . . . . . . . . . . . 6716 1 1555 . 1 1 141 141 LYS HD3 H 1 1.714492 . . . . . . . . . . . 6716 1 1556 . 1 1 141 141 LYS HE2 H 1 3.017314 . . . . . . . . . . . 6716 1 1557 . 1 1 141 141 LYS HE3 H 1 3.017314 . . . . . . . . . . . 6716 1 1558 . 1 1 141 141 LYS C C 13 179.007 . . . . . . . . . . . 6716 1 1559 . 1 1 141 141 LYS CA C 13 59.4725 . . . . . . . . . . . 6716 1 1560 . 1 1 141 141 LYS CB C 13 32.4075 . . . . . . . . . . . 6716 1 1561 . 1 1 141 141 LYS CG C 13 25.40568 . . . . . . . . . . . 6716 1 1562 . 1 1 141 141 LYS CD C 13 29.6238 . . . . . . . . . . . 6716 1 1563 . 1 1 141 141 LYS CE C 13 42.31852 . . . . . . . . . . . 6716 1 1564 . 1 1 141 141 LYS N N 15 119.868 . . . . . . . . . . . 6716 1 1565 . 1 1 142 142 MET H H 1 7.632 . . . . . . . . . . . 6716 1 1566 . 1 1 142 142 MET HA H 1 4.334616 . . . . . . . . . . . 6716 1 1567 . 1 1 142 142 MET HB2 H 1 2.203027 . . . . . . . . . . . 6716 1 1568 . 1 1 142 142 MET HB3 H 1 2.203027 . . . . . . . . . . . 6716 1 1569 . 1 1 142 142 MET HG2 H 1 2.621154 . . . . . . . . . . . 6716 1 1570 . 1 1 142 142 MET HG3 H 1 2.769887 . . . . . . . . . . . 6716 1 1571 . 1 1 142 142 MET HE1 H 1 2.050609 . . . . . . . . . . . 6716 1 1572 . 1 1 142 142 MET HE2 H 1 2.050609 . . . . . . . . . . . 6716 1 1573 . 1 1 142 142 MET HE3 H 1 2.050609 . . . . . . . . . . . 6716 1 1574 . 1 1 142 142 MET C C 13 178.079 . . . . . . . . . . . 6716 1 1575 . 1 1 142 142 MET CA C 13 58.3545 . . . . . . . . . . . 6716 1 1576 . 1 1 142 142 MET CB C 13 32.2495 . . . . . . . . . . . 6716 1 1577 . 1 1 142 142 MET CG C 13 32.03600 . . . . . . . . . . . 6716 1 1578 . 1 1 142 142 MET CE C 13 17.43726 . . . . . . . . . . . 6716 1 1579 . 1 1 142 142 MET N N 15 117.536 . . . . . . . . . . . 6716 1 1580 . 1 1 143 143 LEU H H 1 7.765 . . . . . . . . . . . 6716 1 1581 . 1 1 143 143 LEU HA H 1 4.139047 . . . . . . . . . . . 6716 1 1582 . 1 1 143 143 LEU HB2 H 1 1.289605 . . . . . . . . . . . 6716 1 1583 . 1 1 143 143 LEU HB3 H 1 1.533607 . . . . . . . . . . . 6716 1 1584 . 1 1 143 143 LEU HG H 1 1.474919 . . . . . . . . . . . 6716 1 1585 . 1 1 143 143 LEU HD11 H 1 0.4184409 . . . . . . . . . . . 6716 1 1586 . 1 1 143 143 LEU HD12 H 1 0.4184409 . . . . . . . . . . . 6716 1 1587 . 1 1 143 143 LEU HD13 H 1 0.4184409 . . . . . . . . . . . 6716 1 1588 . 1 1 143 143 LEU HD21 H 1 0.0363562 . . . . . . . . . . . 6716 1 1589 . 1 1 143 143 LEU HD22 H 1 0.0363562 . . . . . . . . . . . 6716 1 1590 . 1 1 143 143 LEU HD23 H 1 0.0363562 . . . . . . . . . . . 6716 1 1591 . 1 1 143 143 LEU C C 13 177.725 . . . . . . . . . . . 6716 1 1592 . 1 1 143 143 LEU CA C 13 56.294 . . . . . . . . . . . 6716 1 1593 . 1 1 143 143 LEU CB C 13 42.217 . . . . . . . . . . . 6716 1 1594 . 1 1 143 143 LEU CG C 13 26.49997 . . . . . . . . . . . 6716 1 1595 . 1 1 143 143 LEU CD1 C 13 22.72973 . . . . . . . . . . . 6716 1 1596 . 1 1 143 143 LEU CD2 C 13 24.63005 . . . . . . . . . . . 6716 1 1597 . 1 1 143 143 LEU N N 15 119.807 . . . . . . . . . . . 6716 1 1598 . 1 1 144 144 SER H H 1 7.85 . . . . . . . . . . . 6716 1 1599 . 1 1 144 144 SER HA H 1 4.599562 . . . . . . . . . . . 6716 1 1600 . 1 1 144 144 SER HB2 H 1 4.043013 . . . . . . . . . . . 6716 1 1601 . 1 1 144 144 SER HB3 H 1 4.043013 . . . . . . . . . . . 6716 1 1602 . 1 1 144 144 SER C C 13 174.418 . . . . . . . . . . . 6716 1 1603 . 1 1 144 144 SER CA C 13 58.8875 . . . . . . . . . . . 6716 1 1604 . 1 1 144 144 SER CB C 13 63.796 . . . . . . . . . . . 6716 1 1605 . 1 1 144 144 SER N N 15 114.15 . . . . . . . . . . . 6716 1 1606 . 1 1 145 145 SER H H 1 8.043 . . . . . . . . . . . 6716 1 1607 . 1 1 145 145 SER HA H 1 4.610394 . . . . . . . . . . . 6716 1 1608 . 1 1 145 145 SER HB2 H 1 3.9794 . . . . . . . . . . . 6716 1 1609 . 1 1 145 145 SER HB3 H 1 3.9794 . . . . . . . . . . . 6716 1 1610 . 1 1 145 145 SER C C 13 178.843 . . . . . . . . . . . 6716 1 1611 . 1 1 145 145 SER CA C 13 58.645 . . . . . . . . . . . 6716 1 1612 . 1 1 145 145 SER CB C 13 63.953 . . . . . . . . . . . 6716 1 1613 . 1 1 145 145 SER N N 15 117.312 . . . . . . . . . . . 6716 1 stop_ save_