data_5393 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5393 _Entry.Title ; Sequence-specific (1H, 15N, 13C) resonance assignment of the N-terminal domain of the Cyclase-associated Protein (CAP) from Dictyostelium discoideum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-12 _Entry.Accession_date 2002-06-13 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _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 Till Rehm . . . 5393 2 Chrystelle Mavoungou . . . 5393 3 Lars Israel . . . 5393 4 Michael Schleicher . . . 5393 5 Tad Holak . A . 5393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 886 5393 '13C chemical shifts' 542 5393 '15N chemical shifts' 173 5393 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 . . 2002-09-25 2002-06-12 original author . 5393 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5393 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific (1H, 15N, 13C) resonance assignment of the N-terminal domain of the Cyclase-associated Protein (CAP) from Dictyostelium discoideum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _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 337 _Citation.Page_last 338 _Citation.Year 2002 _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 Till Rehm . . . 5393 1 2 Chrystelle Mavoungou . . . 5393 1 3 Lars Israel . . . 5393 1 4 Michael Schleicher . . . 5393 1 5 Tad Holak . A . 5393 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'adenylyl cyclase associated protein' 5393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CAP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CAP _Assembly.Entry_ID 5393 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of the adenylyl cyclase associated Protein' _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 5393 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 'CAP N-terminus' 1 $CAP . . . native . . . . . 5393 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of the adenylyl cyclase associated Protein' system 5393 1 CAP abbreviation 5393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAP _Entity.Sf_category entity _Entity.Sf_framecode CAP _Entity.Entry_ID 5393 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cyclase associated Protein' _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 ; SVKEFQNLVDQHITPFVALS KKLAPEVGNQVEQLVKAIDA EKALINTASQSKKPSQETLL ELIKPLNNFAAEVGKIRDSN RSSKFFNNLSAISESIGFLS WVVVEPTPGPHVAEMRGSAE FYTNRILKEFKGVNQDQVDW VSNYVNFLKDLEKYIKQYHT TGLTWNPKGGDAKSAT ; _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 176 _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 ; The N-terminal domain of CAP described here is shorter by 39 residues than previously reported. ; _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 1S0P . "Structure Of The N-Terminal Domain Of The Adenylyl Cyclase- Associated Protein (Cap) From Dictyostelium Discoideum" . . . . . 100.00 176 100.00 100.00 1.68e-124 . . . . 5393 1 2 no PDB 1TJF . "The Crystal Structure Of The N-Terminal Domain Of Cap Indicates Variable Oligomerisation" . . . . . 100.00 186 100.00 100.00 1.83e-124 . . . . 5393 1 3 no GB AAB09713 . "cyclase associated protein [Dictyostelium discoideum AX3]" . . . . . 100.00 464 100.00 100.00 3.99e-123 . . . . 5393 1 4 no GB EAL63006 . "cyclase associated protein [Dictyostelium discoideum AX4]" . . . . . 100.00 464 100.00 100.00 3.99e-123 . . . . 5393 1 5 no REF XP_636512 . "cyclase associated protein [Dictyostelium discoideum AX4]" . . . . . 100.00 464 100.00 100.00 3.99e-123 . . . . 5393 1 6 no SP P54654 . "RecName: Full=Adenylyl cyclase-associated protein; Short=CAP [Dictyostelium discoideum]" . . . . . 100.00 464 100.00 100.00 3.99e-123 . . . . 5393 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cyclase associated Protein' common 5393 1 CAP abbreviation 5393 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 5393 1 2 . VAL . 5393 1 3 . LYS . 5393 1 4 . GLU . 5393 1 5 . PHE . 5393 1 6 . GLN . 5393 1 7 . ASN . 5393 1 8 . LEU . 5393 1 9 . VAL . 5393 1 10 . ASP . 5393 1 11 . GLN . 5393 1 12 . HIS . 5393 1 13 . ILE . 5393 1 14 . THR . 5393 1 15 . PRO . 5393 1 16 . PHE . 5393 1 17 . VAL . 5393 1 18 . ALA . 5393 1 19 . LEU . 5393 1 20 . SER . 5393 1 21 . LYS . 5393 1 22 . LYS . 5393 1 23 . LEU . 5393 1 24 . ALA . 5393 1 25 . PRO . 5393 1 26 . GLU . 5393 1 27 . VAL . 5393 1 28 . GLY . 5393 1 29 . ASN . 5393 1 30 . GLN . 5393 1 31 . VAL . 5393 1 32 . GLU . 5393 1 33 . GLN . 5393 1 34 . LEU . 5393 1 35 . VAL . 5393 1 36 . LYS . 5393 1 37 . ALA . 5393 1 38 . ILE . 5393 1 39 . ASP . 5393 1 40 . ALA . 5393 1 41 . GLU . 5393 1 42 . LYS . 5393 1 43 . ALA . 5393 1 44 . LEU . 5393 1 45 . ILE . 5393 1 46 . ASN . 5393 1 47 . THR . 5393 1 48 . ALA . 5393 1 49 . SER . 5393 1 50 . GLN . 5393 1 51 . SER . 5393 1 52 . LYS . 5393 1 53 . LYS . 5393 1 54 . PRO . 5393 1 55 . SER . 5393 1 56 . GLN . 5393 1 57 . GLU . 5393 1 58 . THR . 5393 1 59 . LEU . 5393 1 60 . LEU . 5393 1 61 . GLU . 5393 1 62 . LEU . 5393 1 63 . ILE . 5393 1 64 . LYS . 5393 1 65 . PRO . 5393 1 66 . LEU . 5393 1 67 . ASN . 5393 1 68 . ASN . 5393 1 69 . PHE . 5393 1 70 . ALA . 5393 1 71 . ALA . 5393 1 72 . GLU . 5393 1 73 . VAL . 5393 1 74 . GLY . 5393 1 75 . LYS . 5393 1 76 . ILE . 5393 1 77 . ARG . 5393 1 78 . ASP . 5393 1 79 . SER . 5393 1 80 . ASN . 5393 1 81 . ARG . 5393 1 82 . SER . 5393 1 83 . SER . 5393 1 84 . LYS . 5393 1 85 . PHE . 5393 1 86 . PHE . 5393 1 87 . ASN . 5393 1 88 . ASN . 5393 1 89 . LEU . 5393 1 90 . SER . 5393 1 91 . ALA . 5393 1 92 . ILE . 5393 1 93 . SER . 5393 1 94 . GLU . 5393 1 95 . SER . 5393 1 96 . ILE . 5393 1 97 . GLY . 5393 1 98 . PHE . 5393 1 99 . LEU . 5393 1 100 . SER . 5393 1 101 . TRP . 5393 1 102 . VAL . 5393 1 103 . VAL . 5393 1 104 . VAL . 5393 1 105 . GLU . 5393 1 106 . PRO . 5393 1 107 . THR . 5393 1 108 . PRO . 5393 1 109 . GLY . 5393 1 110 . PRO . 5393 1 111 . HIS . 5393 1 112 . VAL . 5393 1 113 . ALA . 5393 1 114 . GLU . 5393 1 115 . MET . 5393 1 116 . ARG . 5393 1 117 . GLY . 5393 1 118 . SER . 5393 1 119 . ALA . 5393 1 120 . GLU . 5393 1 121 . PHE . 5393 1 122 . TYR . 5393 1 123 . THR . 5393 1 124 . ASN . 5393 1 125 . ARG . 5393 1 126 . ILE . 5393 1 127 . LEU . 5393 1 128 . LYS . 5393 1 129 . GLU . 5393 1 130 . PHE . 5393 1 131 . LYS . 5393 1 132 . GLY . 5393 1 133 . VAL . 5393 1 134 . ASN . 5393 1 135 . GLN . 5393 1 136 . ASP . 5393 1 137 . GLN . 5393 1 138 . VAL . 5393 1 139 . ASP . 5393 1 140 . TRP . 5393 1 141 . VAL . 5393 1 142 . SER . 5393 1 143 . ASN . 5393 1 144 . TYR . 5393 1 145 . VAL . 5393 1 146 . ASN . 5393 1 147 . PHE . 5393 1 148 . LEU . 5393 1 149 . LYS . 5393 1 150 . ASP . 5393 1 151 . LEU . 5393 1 152 . GLU . 5393 1 153 . LYS . 5393 1 154 . TYR . 5393 1 155 . ILE . 5393 1 156 . LYS . 5393 1 157 . GLN . 5393 1 158 . TYR . 5393 1 159 . HIS . 5393 1 160 . THR . 5393 1 161 . THR . 5393 1 162 . GLY . 5393 1 163 . LEU . 5393 1 164 . THR . 5393 1 165 . TRP . 5393 1 166 . ASN . 5393 1 167 . PRO . 5393 1 168 . LYS . 5393 1 169 . GLY . 5393 1 170 . GLY . 5393 1 171 . ASP . 5393 1 172 . ALA . 5393 1 173 . LYS . 5393 1 174 . SER . 5393 1 175 . ALA . 5393 1 176 . THR . 5393 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 5393 1 . VAL 2 2 5393 1 . LYS 3 3 5393 1 . GLU 4 4 5393 1 . PHE 5 5 5393 1 . GLN 6 6 5393 1 . ASN 7 7 5393 1 . LEU 8 8 5393 1 . VAL 9 9 5393 1 . ASP 10 10 5393 1 . GLN 11 11 5393 1 . HIS 12 12 5393 1 . ILE 13 13 5393 1 . THR 14 14 5393 1 . PRO 15 15 5393 1 . PHE 16 16 5393 1 . VAL 17 17 5393 1 . ALA 18 18 5393 1 . LEU 19 19 5393 1 . SER 20 20 5393 1 . LYS 21 21 5393 1 . LYS 22 22 5393 1 . LEU 23 23 5393 1 . ALA 24 24 5393 1 . PRO 25 25 5393 1 . GLU 26 26 5393 1 . VAL 27 27 5393 1 . GLY 28 28 5393 1 . ASN 29 29 5393 1 . GLN 30 30 5393 1 . VAL 31 31 5393 1 . GLU 32 32 5393 1 . GLN 33 33 5393 1 . LEU 34 34 5393 1 . VAL 35 35 5393 1 . LYS 36 36 5393 1 . ALA 37 37 5393 1 . ILE 38 38 5393 1 . ASP 39 39 5393 1 . ALA 40 40 5393 1 . GLU 41 41 5393 1 . LYS 42 42 5393 1 . ALA 43 43 5393 1 . LEU 44 44 5393 1 . ILE 45 45 5393 1 . ASN 46 46 5393 1 . THR 47 47 5393 1 . ALA 48 48 5393 1 . SER 49 49 5393 1 . GLN 50 50 5393 1 . SER 51 51 5393 1 . LYS 52 52 5393 1 . LYS 53 53 5393 1 . PRO 54 54 5393 1 . SER 55 55 5393 1 . GLN 56 56 5393 1 . GLU 57 57 5393 1 . THR 58 58 5393 1 . LEU 59 59 5393 1 . LEU 60 60 5393 1 . GLU 61 61 5393 1 . LEU 62 62 5393 1 . ILE 63 63 5393 1 . LYS 64 64 5393 1 . PRO 65 65 5393 1 . LEU 66 66 5393 1 . ASN 67 67 5393 1 . ASN 68 68 5393 1 . PHE 69 69 5393 1 . ALA 70 70 5393 1 . ALA 71 71 5393 1 . GLU 72 72 5393 1 . VAL 73 73 5393 1 . GLY 74 74 5393 1 . LYS 75 75 5393 1 . ILE 76 76 5393 1 . ARG 77 77 5393 1 . ASP 78 78 5393 1 . SER 79 79 5393 1 . ASN 80 80 5393 1 . ARG 81 81 5393 1 . SER 82 82 5393 1 . SER 83 83 5393 1 . LYS 84 84 5393 1 . PHE 85 85 5393 1 . PHE 86 86 5393 1 . ASN 87 87 5393 1 . ASN 88 88 5393 1 . LEU 89 89 5393 1 . SER 90 90 5393 1 . ALA 91 91 5393 1 . ILE 92 92 5393 1 . SER 93 93 5393 1 . GLU 94 94 5393 1 . SER 95 95 5393 1 . ILE 96 96 5393 1 . GLY 97 97 5393 1 . PHE 98 98 5393 1 . LEU 99 99 5393 1 . SER 100 100 5393 1 . TRP 101 101 5393 1 . VAL 102 102 5393 1 . VAL 103 103 5393 1 . VAL 104 104 5393 1 . GLU 105 105 5393 1 . PRO 106 106 5393 1 . THR 107 107 5393 1 . PRO 108 108 5393 1 . GLY 109 109 5393 1 . PRO 110 110 5393 1 . HIS 111 111 5393 1 . VAL 112 112 5393 1 . ALA 113 113 5393 1 . GLU 114 114 5393 1 . MET 115 115 5393 1 . ARG 116 116 5393 1 . GLY 117 117 5393 1 . SER 118 118 5393 1 . ALA 119 119 5393 1 . GLU 120 120 5393 1 . PHE 121 121 5393 1 . TYR 122 122 5393 1 . THR 123 123 5393 1 . ASN 124 124 5393 1 . ARG 125 125 5393 1 . ILE 126 126 5393 1 . LEU 127 127 5393 1 . LYS 128 128 5393 1 . GLU 129 129 5393 1 . PHE 130 130 5393 1 . LYS 131 131 5393 1 . GLY 132 132 5393 1 . VAL 133 133 5393 1 . ASN 134 134 5393 1 . GLN 135 135 5393 1 . ASP 136 136 5393 1 . GLN 137 137 5393 1 . VAL 138 138 5393 1 . ASP 139 139 5393 1 . TRP 140 140 5393 1 . VAL 141 141 5393 1 . SER 142 142 5393 1 . ASN 143 143 5393 1 . TYR 144 144 5393 1 . VAL 145 145 5393 1 . ASN 146 146 5393 1 . PHE 147 147 5393 1 . LEU 148 148 5393 1 . LYS 149 149 5393 1 . ASP 150 150 5393 1 . LEU 151 151 5393 1 . GLU 152 152 5393 1 . LYS 153 153 5393 1 . TYR 154 154 5393 1 . ILE 155 155 5393 1 . LYS 156 156 5393 1 . GLN 157 157 5393 1 . TYR 158 158 5393 1 . HIS 159 159 5393 1 . THR 160 160 5393 1 . THR 161 161 5393 1 . GLY 162 162 5393 1 . LEU 163 163 5393 1 . THR 164 164 5393 1 . TRP 165 165 5393 1 . ASN 166 166 5393 1 . PRO 167 167 5393 1 . LYS 168 168 5393 1 . GLY 169 169 5393 1 . GLY 170 170 5393 1 . ASP 171 171 5393 1 . ALA 172 172 5393 1 . LYS 173 173 5393 1 . SER 174 174 5393 1 . ALA 175 175 5393 1 . THR 176 176 5393 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 5393 _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 $CAP . 44689 . . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . . . . . . . . . 5393 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 5393 _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 $CAP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5393 _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 'Cyclase associated Protein' [U-15N] . . 1 $CAP . . . 0.8 1.2 mM . . . . 5393 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5393 _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 'Cyclase associated Protein' '[U-13C; U-15N]' . . 1 $CAP . . 0.9 . . mM . . . . 5393 2 stop_ save_ ####################### # Sample conditions # ####################### save_Exp-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Exp-cond _Sample_condition_list.Entry_ID 5393 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 0.1 n/a 5393 1 temperature 300 0.1 K 5393 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5393 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5393 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5393 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5393 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5393 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 5393 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 5393 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 4 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 5 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 6 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 7 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5393 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5393 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5393 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP methyl . . . . ppm 0.00 . direct 1.0 . . . . . . . . . 5393 1 C 13 TSP methyl . . . . ppm -0.2 . direct 1.0 . . . . . . . . . 5393 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5393 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5393 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp-cond _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 . 5393 1 . . 2 $sample_2 . 5393 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS C C 13 178.355 0.1 . 1 . . . . . . . . 5393 1 2 . 1 1 3 3 LYS CA C 13 59.337 0.1 . 1 . . . . . . . . 5393 1 3 . 1 1 3 3 LYS CB C 13 28.034 0.3 . 1 . . . . . . . . 5393 1 4 . 1 1 4 4 GLU H H 1 8.034 0.02 . 1 . . . . . . . . 5393 1 5 . 1 1 4 4 GLU C C 13 176.826 0.1 . 1 . . . . . . . . 5393 1 6 . 1 1 4 4 GLU CA C 13 61.952 0.1 . 1 . . . . . . . . 5393 1 7 . 1 1 4 4 GLU N N 15 123.843 0.05 . 1 . . . . . . . . 5393 1 8 . 1 1 5 5 PHE H H 1 8.489 0.02 . 1 . . . . . . . . 5393 1 9 . 1 1 5 5 PHE C C 13 176.00 0.1 . 1 . . . . . . . . 5393 1 10 . 1 1 5 5 PHE CA C 13 58.111 0.1 . 1 . . . . . . . . 5393 1 11 . 1 1 5 5 PHE N N 15 119.60 0.05 . 1 . . . . . . . . 5393 1 12 . 1 1 6 6 GLN H H 1 8.167 0.02 . 1 . . . . . . . . 5393 1 13 . 1 1 6 6 GLN C C 13 178.320 0.1 . 1 . . . . . . . . 5393 1 14 . 1 1 6 6 GLN CA C 13 59.281 0.1 . 1 . . . . . . . . 5393 1 15 . 1 1 6 6 GLN CB C 13 32.00 0.3 . 1 . . . . . . . . 5393 1 16 . 1 1 6 6 GLN N N 15 118.525 0.05 . 1 . . . . . . . . 5393 1 17 . 1 1 7 7 ASN H H 1 8.169 0.02 . 1 . . . . . . . . 5393 1 18 . 1 1 7 7 ASN C C 13 177.530 0.1 . 1 . . . . . . . . 5393 1 19 . 1 1 7 7 ASN CA C 13 56.234 0.1 . 1 . . . . . . . . 5393 1 20 . 1 1 7 7 ASN CB C 13 37.636 0.3 . 1 . . . . . . . . 5393 1 21 . 1 1 7 7 ASN N N 15 118.851 0.05 . 1 . . . . . . . . 5393 1 22 . 1 1 8 8 LEU H H 1 7.354 0.02 . 1 . . . . . . . . 5393 1 23 . 1 1 8 8 LEU N N 15 120.373 0.05 . 1 . . . . . . . . 5393 1 24 . 1 1 8 8 LEU C C 13 178.512 0.1 . 1 . . . . . . . . 5393 1 25 . 1 1 8 8 LEU CA C 13 58.004 0.1 . 1 . . . . . . . . 5393 1 26 . 1 1 8 8 LEU CB C 13 42.148 0.3 . 1 . . . . . . . . 5393 1 27 . 1 1 9 9 VAL H H 1 7.397 0.02 . 1 . . . . . . . . 5393 1 28 . 1 1 9 9 VAL HA H 1 3.389 0.05 . 1 . . . . . . . . 5393 1 29 . 1 1 9 9 VAL HB H 1 2.293 0.05 . 1 . . . . . . . . 5393 1 30 . 1 1 9 9 VAL HG11 H 1 0.889 0.05 . 2 . . . . . . . . 5393 1 31 . 1 1 9 9 VAL HG12 H 1 0.889 0.05 . 2 . . . . . . . . 5393 1 32 . 1 1 9 9 VAL HG13 H 1 0.889 0.05 . 2 . . . . . . . . 5393 1 33 . 1 1 9 9 VAL HG21 H 1 0.723 0.05 . 2 . . . . . . . . 5393 1 34 . 1 1 9 9 VAL HG22 H 1 0.723 0.05 . 2 . . . . . . . . 5393 1 35 . 1 1 9 9 VAL HG23 H 1 0.723 0.05 . 2 . . . . . . . . 5393 1 36 . 1 1 9 9 VAL C C 13 178.009 0.1 . 1 . . . . . . . . 5393 1 37 . 1 1 9 9 VAL CA C 13 66.283 0.1 . 1 . . . . . . . . 5393 1 38 . 1 1 9 9 VAL CB C 13 31.320 0.3 . 1 . . . . . . . . 5393 1 39 . 1 1 9 9 VAL N N 15 122.06 0.05 . 1 . . . . . . . . 5393 1 40 . 1 1 10 10 ASP H H 1 8.749 0.02 . 1 . . . . . . . . 5393 1 41 . 1 1 10 10 ASP HA H 1 4.348 0.05 . 1 . . . . . . . . 5393 1 42 . 1 1 10 10 ASP HB2 H 1 2.736 0.05 . 2 . . . . . . . . 5393 1 43 . 1 1 10 10 ASP HB3 H 1 2.692 0.05 . 2 . . . . . . . . 5393 1 44 . 1 1 10 10 ASP C C 13 177.654 0.1 . 1 . . . . . . . . 5393 1 45 . 1 1 10 10 ASP CA C 13 57.309 0.1 . 1 . . . . . . . . 5393 1 46 . 1 1 10 10 ASP CB C 13 40.517 0.3 . 1 . . . . . . . . 5393 1 47 . 1 1 10 10 ASP N N 15 121.254 0.05 . 1 . . . . . . . . 5393 1 48 . 1 1 11 11 GLN H H 1 7.781 0.02 . 1 . . . . . . . . 5393 1 49 . 1 1 11 11 GLN HA H 1 3.881 0.05 . 1 . . . . . . . . 5393 1 50 . 1 1 11 11 GLN HB2 H 1 1.846 0.05 . 2 . . . . . . . . 5393 1 51 . 1 1 11 11 GLN HB3 H 1 1.468 0.05 . 2 . . . . . . . . 5393 1 52 . 1 1 11 11 GLN C C 13 176.592 0.1 . 1 . . . . . . . . 5393 1 53 . 1 1 11 11 GLN CA C 13 58.530 0.1 . 1 . . . . . . . . 5393 1 54 . 1 1 11 11 GLN CB C 13 28.957 0.3 . 1 . . . . . . . . 5393 1 55 . 1 1 11 11 GLN N N 15 116.680 0.05 . 1 . . . . . . . . 5393 1 56 . 1 1 12 12 HIS H H 1 7.480 0.02 . 1 . . . . . . . . 5393 1 57 . 1 1 12 12 HIS HA H 1 4.959 0.05 . 1 . . . . . . . . 5393 1 58 . 1 1 12 12 HIS HB2 H 1 3.359 0.05 . 2 . . . . . . . . 5393 1 59 . 1 1 12 12 HIS HB3 H 1 2.995 0.05 . 2 . . . . . . . . 5393 1 60 . 1 1 12 12 HIS C C 13 176.668 0.1 . 1 . . . . . . . . 5393 1 61 . 1 1 12 12 HIS CA C 13 56.908 0.1 . 1 . . . . . . . . 5393 1 62 . 1 1 12 12 HIS CB C 13 35.027 0.3 . 1 . . . . . . . . 5393 1 63 . 1 1 12 12 HIS N N 15 112.447 0.05 . 1 . . . . . . . . 5393 1 64 . 1 1 13 13 ILE H H 1 8.172 0.02 . 1 . . . . . . . . 5393 1 65 . 1 1 13 13 ILE HA H 1 4.095 0.05 . 1 . . . . . . . . 5393 1 66 . 1 1 13 13 ILE HB H 1 2.694 0.05 . 1 . . . . . . . . 5393 1 67 . 1 1 13 13 ILE HG12 H 1 1.189 0.05 . 2 . . . . . . . . 5393 1 68 . 1 1 13 13 ILE HG13 H 1 0.579 0.05 . 2 . . . . . . . . 5393 1 69 . 1 1 13 13 ILE HG21 H 1 0.838 0.05 . 1 . . . . . . . . 5393 1 70 . 1 1 13 13 ILE HG22 H 1 0.838 0.05 . 1 . . . . . . . . 5393 1 71 . 1 1 13 13 ILE HG23 H 1 0.838 0.05 . 1 . . . . . . . . 5393 1 72 . 1 1 13 13 ILE HD11 H 1 -0.289 0.05 . 1 . . . . . . . . 5393 1 73 . 1 1 13 13 ILE HD12 H 1 -0.289 0.05 . 1 . . . . . . . . 5393 1 74 . 1 1 13 13 ILE HD13 H 1 -0.289 0.05 . 1 . . . . . . . . 5393 1 75 . 1 1 13 13 ILE C C 13 177.415 0.1 . 1 . . . . . . . . 5393 1 76 . 1 1 13 13 ILE CA C 13 59.928 0.1 . 1 . . . . . . . . 5393 1 77 . 1 1 13 13 ILE CB C 13 33.81 0.3 . 1 . . . . . . . . 5393 1 78 . 1 1 13 13 ILE CG1 C 13 27.638 0.1 . 1 . . . . . . . . 5393 1 79 . 1 1 13 13 ILE CG2 C 13 17.846 0.1 . 1 . . . . . . . . 5393 1 80 . 1 1 13 13 ILE CD1 C 13 5.715 0.1 . 1 . . . . . . . . 5393 1 81 . 1 1 13 13 ILE N N 15 119.564 0.05 . 1 . . . . . . . . 5393 1 82 . 1 1 14 14 THR H H 1 8.023 0.02 . 1 . . . . . . . . 5393 1 83 . 1 1 14 14 THR HA H 1 4.091 0.02 . 1 . . . . . . . . 5393 1 84 . 1 1 14 14 THR HB H 1 4.516 0.02 . 1 . . . . . . . . 5393 1 85 . 1 1 14 14 THR HG21 H 1 1.281 0.05 . 1 . . . . . . . . 5393 1 86 . 1 1 14 14 THR HG22 H 1 1.281 0.05 . 1 . . . . . . . . 5393 1 87 . 1 1 14 14 THR HG23 H 1 1.281 0.05 . 1 . . . . . . . . 5393 1 88 . 1 1 14 14 THR CA C 13 69.387 0.1 . 1 . . . . . . . . 5393 1 89 . 1 1 14 14 THR CB C 13 66.214 0.1 . 1 . . . . . . . . 5393 1 90 . 1 1 14 14 THR CG2 C 13 22.595 0.1 . 1 . . . . . . . . 5393 1 91 . 1 1 14 14 THR N N 15 119.258 0.05 . 1 . . . . . . . . 5393 1 92 . 1 1 15 15 PRO HA H 1 4.509 0.02 . 1 . . . . . . . . 5393 1 93 . 1 1 15 15 PRO HB2 H 1 2.339 0.02 . 1 . . . . . . . . 5393 1 94 . 1 1 15 15 PRO HB3 H 1 1.938 0.02 . 1 . . . . . . . . 5393 1 95 . 1 1 15 15 PRO C C 13 178.322 0.1 . 1 . . . . . . . . 5393 1 96 . 1 1 15 15 PRO CA C 13 65.484 0.1 . 1 . . . . . . . . 5393 1 97 . 1 1 15 15 PRO CB C 13 30.601 0.3 . 1 . . . . . . . . 5393 1 98 . 1 1 16 16 PHE H H 1 6.969 0.02 . 1 . . . . . . . . 5393 1 99 . 1 1 16 16 PHE HA H 1 4.411 0.05 . 1 . . . . . . . . 5393 1 100 . 1 1 16 16 PHE HB2 H 1 3.487 0.05 . 2 . . . . . . . . 5393 1 101 . 1 1 16 16 PHE HB3 H 1 3.302 0.05 . 2 . . . . . . . . 5393 1 102 . 1 1 16 16 PHE HD1 H 1 6.858 0.05 . 3 . . . . . . . . 5393 1 103 . 1 1 16 16 PHE HE1 H 1 5.755 0.05 . 3 . . . . . . . . 5393 1 104 . 1 1 16 16 PHE HZ H 1 5.949 0.05 . 1 . . . . . . . . 5393 1 105 . 1 1 16 16 PHE C C 13 178.815 0.1 . 1 . . . . . . . . 5393 1 106 . 1 1 16 16 PHE CA C 13 60.711 0.1 . 1 . . . . . . . . 5393 1 107 . 1 1 16 16 PHE CB C 13 40.022 0.3 . 1 . . . . . . . . 5393 1 108 . 1 1 16 16 PHE N N 15 121.835 0.05 . 1 . . . . . . . . 5393 1 109 . 1 1 17 17 VAL H H 1 8.895 0.02 . 1 . . . . . . . . 5393 1 110 . 1 1 17 17 VAL HA H 1 3.395 0.05 . 1 . . . . . . . . 5393 1 111 . 1 1 17 17 VAL HB H 1 2.221 0.05 . 1 . . . . . . . . 5393 1 112 . 1 1 17 17 VAL HG11 H 1 1.078 0.05 . 2 . . . . . . . . 5393 1 113 . 1 1 17 17 VAL HG12 H 1 1.078 0.05 . 2 . . . . . . . . 5393 1 114 . 1 1 17 17 VAL HG13 H 1 1.078 0.05 . 2 . . . . . . . . 5393 1 115 . 1 1 17 17 VAL HG21 H 1 0.975 0.05 . 2 . . . . . . . . 5393 1 116 . 1 1 17 17 VAL HG22 H 1 0.975 0.05 . 2 . . . . . . . . 5393 1 117 . 1 1 17 17 VAL HG23 H 1 0.975 0.05 . 2 . . . . . . . . 5393 1 118 . 1 1 17 17 VAL C C 13 176.905 0.1 . 1 . . . . . . . . 5393 1 119 . 1 1 17 17 VAL CA C 13 67.007 0.1 . 1 . . . . . . . . 5393 1 120 . 1 1 17 17 VAL CB C 13 31.664 0.3 . 1 . . . . . . . . 5393 1 121 . 1 1 17 17 VAL N N 15 126.060 0.05 . 1 . . . . . . . . 5393 1 122 . 1 1 18 18 ALA H H 1 6.876 0.02 . 1 . . . . . . . . 5393 1 123 . 1 1 18 18 ALA HA H 1 4.088 0.05 . 1 . . . . . . . . 5393 1 124 . 1 1 18 18 ALA HB1 H 1 1.517 0.05 . 1 . . . . . . . . 5393 1 125 . 1 1 18 18 ALA HB2 H 1 1.517 0.05 . 1 . . . . . . . . 5393 1 126 . 1 1 18 18 ALA HB3 H 1 1.517 0.05 . 1 . . . . . . . . 5393 1 127 . 1 1 18 18 ALA C C 13 175.548 0.1 . 1 . . . . . . . . 5393 1 128 . 1 1 18 18 ALA CA C 13 55.363 0.1 . 1 . . . . . . . . 5393 1 129 . 1 1 18 18 ALA CB C 13 17.691 0.3 . 1 . . . . . . . . 5393 1 130 . 1 1 18 18 ALA N N 15 122.452 0.05 . 1 . . . . . . . . 5393 1 131 . 1 1 19 19 LEU H H 1 7.964 0.02 . 1 . . . . . . . . 5393 1 132 . 1 1 19 19 LEU HA H 1 4.045 0.05 . 1 . . . . . . . . 5393 1 133 . 1 1 19 19 LEU HB2 H 1 1.642 0.05 . 2 . . . . . . . . 5393 1 134 . 1 1 19 19 LEU HB3 H 1 2.048 0.05 . 2 . . . . . . . . 5393 1 135 . 1 1 19 19 LEU HG H 1 1.540 0.05 . 1 . . . . . . . . 5393 1 136 . 1 1 19 19 LEU HD11 H 1 1.083 0.05 . 2 . . . . . . . . 5393 1 137 . 1 1 19 19 LEU HD12 H 1 1.083 0.05 . 2 . . . . . . . . 5393 1 138 . 1 1 19 19 LEU HD13 H 1 1.083 0.05 . 2 . . . . . . . . 5393 1 139 . 1 1 19 19 LEU HD21 H 1 1.167 0.05 . 2 . . . . . . . . 5393 1 140 . 1 1 19 19 LEU HD22 H 1 1.167 0.05 . 2 . . . . . . . . 5393 1 141 . 1 1 19 19 LEU HD23 H 1 1.167 0.05 . 2 . . . . . . . . 5393 1 142 . 1 1 19 19 LEU C C 13 177.882 0.1 . 1 . . . . . . . . 5393 1 143 . 1 1 19 19 LEU CA C 13 57.692 0.1 . 1 . . . . . . . . 5393 1 144 . 1 1 19 19 LEU CB C 13 43.611 0.3 . 1 . . . . . . . . 5393 1 145 . 1 1 19 19 LEU N N 15 119.362 0.05 . 1 . . . . . . . . 5393 1 146 . 1 1 20 20 SER H H 1 8.084 0.02 . 1 . . . . . . . . 5393 1 147 . 1 1 20 20 SER HA H 1 4.115 0.05 . 1 . . . . . . . . 5393 1 148 . 1 1 20 20 SER HB2 H 1 3.907 0.05 . 2 . . . . . . . . 5393 1 149 . 1 1 20 20 SER HB3 H 1 3.416 0.05 . 2 . . . . . . . . 5393 1 150 . 1 1 20 20 SER C C 13 174.415 0.1 . 1 . . . . . . . . 5393 1 151 . 1 1 20 20 SER CA C 13 63.514 0.1 . 1 . . . . . . . . 5393 1 152 . 1 1 20 20 SER N N 15 116.413 0.05 . 1 . . . . . . . . 5393 1 153 . 1 1 21 21 LYS H H 1 7.487 0.02 . 1 . . . . . . . . 5393 1 154 . 1 1 21 21 LYS HA H 1 3.721 0.05 . 1 . . . . . . . . 5393 1 155 . 1 1 21 21 LYS HB2 H 1 1.840 0.05 . 2 . . . . . . . . 5393 1 156 . 1 1 21 21 LYS HB3 H 1 1.634 0.05 . 2 . . . . . . . . 5393 1 157 . 1 1 21 21 LYS HG3 H 1 1.377 0.05 . 2 . . . . . . . . 5393 1 158 . 1 1 21 21 LYS C C 13 177.538 0.1 . 1 . . . . . . . . 5393 1 159 . 1 1 21 21 LYS CA C 13 58.844 0.1 . 1 . . . . . . . . 5393 1 160 . 1 1 21 21 LYS CB C 13 32.309 0.3 . 1 . . . . . . . . 5393 1 161 . 1 1 21 21 LYS N N 15 117.655 0.05 . 1 . . . . . . . . 5393 1 162 . 1 1 22 22 LYS H H 1 7.210 0.02 . 1 . . . . . . . . 5393 1 163 . 1 1 22 22 LYS HA H 1 3.975 0.05 . 1 . . . . . . . . 5393 1 164 . 1 1 22 22 LYS HB2 H 1 1.904 0.05 . 2 . . . . . . . . 5393 1 165 . 1 1 22 22 LYS HB3 H 1 1.725 0.05 . 2 . . . . . . . . 5393 1 166 . 1 1 22 22 LYS HG2 H 1 1.379 0.05 . 2 . . . . . . . . 5393 1 167 . 1 1 22 22 LYS HG3 H 1 1.523 0.05 . 2 . . . . . . . . 5393 1 168 . 1 1 22 22 LYS C C 13 177.654 0.1 . 1 . . . . . . . . 5393 1 169 . 1 1 22 22 LYS CA C 13 57.947 0.1 . 1 . . . . . . . . 5393 1 170 . 1 1 22 22 LYS CB C 13 32.867 0.3 . 1 . . . . . . . . 5393 1 171 . 1 1 22 22 LYS N N 15 118.722 0.05 . 1 . . . . . . . . 5393 1 172 . 1 1 23 23 LEU H H 1 7.364 0.02 . 1 . . . . . . . . 5393 1 173 . 1 1 23 23 LEU HA H 1 3.799 0.05 . 1 . . . . . . . . 5393 1 174 . 1 1 23 23 LEU HB2 H 1 1.588 0.05 . 2 . . . . . . . . 5393 1 175 . 1 1 23 23 LEU HB3 H 1 1.396 0.05 . 2 . . . . . . . . 5393 1 176 . 1 1 23 23 LEU HG H 1 0.674 0.05 . 1 . . . . . . . . 5393 1 177 . 1 1 23 23 LEU HD11 H 1 0.492 0.05 . 2 . . . . . . . . 5393 1 178 . 1 1 23 23 LEU HD12 H 1 0.492 0.05 . 2 . . . . . . . . 5393 1 179 . 1 1 23 23 LEU HD13 H 1 0.492 0.05 . 2 . . . . . . . . 5393 1 180 . 1 1 23 23 LEU HD21 H 1 0.139 0.05 . 2 . . . . . . . . 5393 1 181 . 1 1 23 23 LEU HD22 H 1 0.139 0.05 . 2 . . . . . . . . 5393 1 182 . 1 1 23 23 LEU HD23 H 1 0.139 0.05 . 2 . . . . . . . . 5393 1 183 . 1 1 23 23 LEU C C 13 176.250 0.1 . 1 . . . . . . . . 5393 1 184 . 1 1 23 23 LEU CA C 13 57.366 0.1 . 1 . . . . . . . . 5393 1 185 . 1 1 23 23 LEU CB C 13 41.935 0.3 . 1 . . . . . . . . 5393 1 186 . 1 1 23 23 LEU CG C 13 25.97 0.1 . 1 . . . . . . . . 5393 1 187 . 1 1 23 23 LEU CD1 C 13 22.799 0.1 . 2 . . . . . . . . 5393 1 188 . 1 1 23 23 LEU CD2 C 13 25.302 0.1 . 2 . . . . . . . . 5393 1 189 . 1 1 23 23 LEU N N 15 120.072 0.05 . 1 . . . . . . . . 5393 1 190 . 1 1 24 24 ALA H H 1 6.766 0.02 . 1 . . . . . . . . 5393 1 191 . 1 1 24 24 ALA HA H 1 4.331 0.05 . 1 . . . . . . . . 5393 1 192 . 1 1 24 24 ALA HB1 H 1 0.579 0.05 . 1 . . . . . . . . 5393 1 193 . 1 1 24 24 ALA HB2 H 1 0.579 0.05 . 1 . . . . . . . . 5393 1 194 . 1 1 24 24 ALA HB3 H 1 0.579 0.05 . 1 . . . . . . . . 5393 1 195 . 1 1 24 24 ALA CA C 13 50.754 0.1 . 1 . . . . . . . . 5393 1 196 . 1 1 24 24 ALA CB C 13 19.990 0.3 . 1 . . . . . . . . 5393 1 197 . 1 1 24 24 ALA N N 15 115.055 0.05 . 1 . . . . . . . . 5393 1 198 . 1 1 25 25 PRO HD2 H 1 3.766 0.05 . 2 . . . . . . . . 5393 1 199 . 1 1 25 25 PRO C C 13 178.468 0.1 . 1 . . . . . . . . 5393 1 200 . 1 1 25 25 PRO CA C 13 65.067 0.1 . 1 . . . . . . . . 5393 1 201 . 1 1 25 25 PRO CB C 13 31.772 0.3 . 1 . . . . . . . . 5393 1 202 . 1 1 26 26 GLU H H 1 10.698 0.02 . 1 . . . . . . . . 5393 1 203 . 1 1 26 26 GLU HA H 1 4.277 0.05 . 1 . . . . . . . . 5393 1 204 . 1 1 26 26 GLU HB2 H 1 1.789 0.05 . 2 . . . . . . . . 5393 1 205 . 1 1 26 26 GLU HB3 H 1 2.221 0.05 . 2 . . . . . . . . 5393 1 206 . 1 1 26 26 GLU HG2 H 1 2.899 0.05 . 2 . . . . . . . . 5393 1 207 . 1 1 26 26 GLU C C 13 177.504 0.1 . 1 . . . . . . . . 5393 1 208 . 1 1 26 26 GLU CA C 13 58.944 0.1 . 1 . . . . . . . . 5393 1 209 . 1 1 26 26 GLU CB C 13 27.066 0.3 . 1 . . . . . . . . 5393 1 210 . 1 1 26 26 GLU N N 15 118.558 0.05 . 1 . . . . . . . . 5393 1 211 . 1 1 27 27 VAL H H 1 6.476 0.02 . 1 . . . . . . . . 5393 1 212 . 1 1 27 27 VAL HA H 1 3.668 0.05 . 1 . . . . . . . . 5393 1 213 . 1 1 27 27 VAL HB H 1 2.011 0.05 . 1 . . . . . . . . 5393 1 214 . 1 1 27 27 VAL HG11 H 1 0.649 0.05 . 2 . . . . . . . . 5393 1 215 . 1 1 27 27 VAL HG12 H 1 0.649 0.05 . 2 . . . . . . . . 5393 1 216 . 1 1 27 27 VAL HG13 H 1 0.649 0.05 . 2 . . . . . . . . 5393 1 217 . 1 1 27 27 VAL HG21 H 1 0.949 0.05 . 2 . . . . . . . . 5393 1 218 . 1 1 27 27 VAL HG22 H 1 0.949 0.05 . 2 . . . . . . . . 5393 1 219 . 1 1 27 27 VAL HG23 H 1 0.949 0.05 . 2 . . . . . . . . 5393 1 220 . 1 1 27 27 VAL C C 13 177.554 0.1 . 1 . . . . . . . . 5393 1 221 . 1 1 27 27 VAL CA C 13 65.354 0.1 . 1 . . . . . . . . 5393 1 222 . 1 1 27 27 VAL CB C 13 30.525 0.3 . 1 . . . . . . . . 5393 1 223 . 1 1 27 27 VAL CG1 C 13 23.468 0.1 . 2 . . . . . . . . 5393 1 224 . 1 1 27 27 VAL CG2 C 13 21.231 0.1 . 2 . . . . . . . . 5393 1 225 . 1 1 27 27 VAL N N 15 121.888 0.05 . 1 . . . . . . . . 5393 1 226 . 1 1 28 28 GLY H H 1 8.016 0.02 . 1 . . . . . . . . 5393 1 227 . 1 1 28 28 GLY HA2 H 1 3.861 0.05 . 2 . . . . . . . . 5393 1 228 . 1 1 28 28 GLY HA3 H 1 3.284 0.05 . 2 . . . . . . . . 5393 1 229 . 1 1 28 28 GLY C C 13 175.662 0.1 . 1 . . . . . . . . 5393 1 230 . 1 1 28 28 GLY CA C 13 47.808 0.1 . 1 . . . . . . . . 5393 1 231 . 1 1 28 28 GLY N N 15 108.085 0.05 . 1 . . . . . . . . 5393 1 232 . 1 1 29 29 ASN H H 1 8.710 0.02 . 1 . . . . . . . . 5393 1 233 . 1 1 29 29 ASN HA H 1 4.501 0.05 . 1 . . . . . . . . 5393 1 234 . 1 1 29 29 ASN HB2 H 1 2.926 0.05 . 2 . . . . . . . . 5393 1 235 . 1 1 29 29 ASN HB3 H 1 2.843 0.05 . 2 . . . . . . . . 5393 1 236 . 1 1 29 29 ASN HD21 H 1 7.557 0.05 . 2 . . . . . . . . 5393 1 237 . 1 1 29 29 ASN C C 13 177.694 0.1 . 1 . . . . . . . . 5393 1 238 . 1 1 29 29 ASN CA C 13 55.678 0.1 . 1 . . . . . . . . 5393 1 239 . 1 1 29 29 ASN CB C 13 38.024 0.3 . 1 . . . . . . . . 5393 1 240 . 1 1 29 29 ASN N N 15 120.106 0.05 . 1 . . . . . . . . 5393 1 241 . 1 1 29 29 ASN ND2 N 15 111.968 0.05 . 1 . . . . . . . . 5393 1 242 . 1 1 30 30 GLN H H 1 7.909 0.02 . 1 . . . . . . . . 5393 1 243 . 1 1 30 30 GLN HA H 1 3.953 0.05 . 1 . . . . . . . . 5393 1 244 . 1 1 30 30 GLN HB2 H 1 2.171 0.05 . 2 . . . . . . . . 5393 1 245 . 1 1 30 30 GLN HB3 H 1 2.617 0.05 . 2 . . . . . . . . 5393 1 246 . 1 1 30 30 GLN HG2 H 1 2.456 0.05 . 2 . . . . . . . . 5393 1 247 . 1 1 30 30 GLN C C 13 178.382 0.1 . 1 . . . . . . . . 5393 1 248 . 1 1 30 30 GLN CA C 13 59.889 0.1 . 1 . . . . . . . . 5393 1 249 . 1 1 30 30 GLN CB C 13 29.376 0.3 . 1 . . . . . . . . 5393 1 250 . 1 1 30 30 GLN N N 15 121.957 0.05 . 1 . . . . . . . . 5393 1 251 . 1 1 31 31 VAL H H 1 8.614 0.02 . 1 . . . . . . . . 5393 1 252 . 1 1 31 31 VAL HA H 1 3.784 0.05 . 1 . . . . . . . . 5393 1 253 . 1 1 31 31 VAL HB H 1 2.180 0.05 . 1 . . . . . . . . 5393 1 254 . 1 1 31 31 VAL HG11 H 1 1.186 0.05 . 2 . . . . . . . . 5393 1 255 . 1 1 31 31 VAL HG12 H 1 1.186 0.05 . 2 . . . . . . . . 5393 1 256 . 1 1 31 31 VAL HG13 H 1 1.186 0.05 . 2 . . . . . . . . 5393 1 257 . 1 1 31 31 VAL HG21 H 1 0.972 0.05 . 2 . . . . . . . . 5393 1 258 . 1 1 31 31 VAL HG22 H 1 0.972 0.05 . 2 . . . . . . . . 5393 1 259 . 1 1 31 31 VAL HG23 H 1 0.972 0.05 . 2 . . . . . . . . 5393 1 260 . 1 1 31 31 VAL C C 13 178.242 0.1 . 1 . . . . . . . . 5393 1 261 . 1 1 31 31 VAL CA C 13 66.570 0.1 . 1 . . . . . . . . 5393 1 262 . 1 1 31 31 VAL CB C 13 31.653 0.3 . 1 . . . . . . . . 5393 1 263 . 1 1 31 31 VAL CG1 C 13 24.727 0.1 . 2 . . . . . . . . 5393 1 264 . 1 1 31 31 VAL N N 15 120.492 0.05 . 1 . . . . . . . . 5393 1 265 . 1 1 32 32 GLU H H 1 8.355 0.02 . 1 . . . . . . . . 5393 1 266 . 1 1 32 32 GLU HA H 1 4.491 0.05 . 1 . . . . . . . . 5393 1 267 . 1 1 32 32 GLU HB2 H 1 2.151 0.05 . 2 . . . . . . . . 5393 1 268 . 1 1 32 32 GLU HG2 H 1 2.349 0.05 . 2 . . . . . . . . 5393 1 269 . 1 1 32 32 GLU C C 13 178.990 0.1 . 1 . . . . . . . . 5393 1 270 . 1 1 32 32 GLU CA C 13 60.274 0.1 . 1 . . . . . . . . 5393 1 271 . 1 1 32 32 GLU CB C 13 29.311 0.3 . 1 . . . . . . . . 5393 1 272 . 1 1 32 32 GLU N N 15 122.738 0.05 . 1 . . . . . . . . 5393 1 273 . 1 1 33 33 GLN H H 1 7.154 0.02 . 1 . . . . . . . . 5393 1 274 . 1 1 33 33 GLN HA H 1 4.024 0.05 . 1 . . . . . . . . 5393 1 275 . 1 1 33 33 GLN HB2 H 1 2.261 0.05 . 2 . . . . . . . . 5393 1 276 . 1 1 33 33 GLN HG2 H 1 2.715 0.05 . 2 . . . . . . . . 5393 1 277 . 1 1 33 33 GLN HG3 H 1 2.483 0.05 . 2 . . . . . . . . 5393 1 278 . 1 1 33 33 GLN C C 13 177.396 0.1 . 1 . . . . . . . . 5393 1 279 . 1 1 33 33 GLN CA C 13 57.560 0.1 . 1 . . . . . . . . 5393 1 280 . 1 1 33 33 GLN CB C 13 27.38 0.3 . 1 . . . . . . . . 5393 1 281 . 1 1 33 33 GLN N N 15 116.783 0.05 . 1 . . . . . . . . 5393 1 282 . 1 1 34 34 LEU H H 1 7.578 0.02 . 1 . . . . . . . . 5393 1 283 . 1 1 34 34 LEU HA H 1 3.980 0.05 . 1 . . . . . . . . 5393 1 284 . 1 1 34 34 LEU HB2 H 1 1.728 0.05 . 2 . . . . . . . . 5393 1 285 . 1 1 34 34 LEU HG H 1 1.441 0.05 . 1 . . . . . . . . 5393 1 286 . 1 1 34 34 LEU C C 13 177.615 0.1 . 1 . . . . . . . . 5393 1 287 . 1 1 34 34 LEU CA C 13 58.372 0.1 . 1 . . . . . . . . 5393 1 288 . 1 1 34 34 LEU CB C 13 41.752 0.3 . 1 . . . . . . . . 5393 1 289 . 1 1 34 34 LEU N N 15 121.641 0.05 . 1 . . . . . . . . 5393 1 290 . 1 1 35 35 VAL H H 1 8.732 0.02 . 1 . . . . . . . . 5393 1 291 . 1 1 35 35 VAL HA H 1 3.438 0.05 . 1 . . . . . . . . 5393 1 292 . 1 1 35 35 VAL HB H 1 2.198 0.05 . 1 . . . . . . . . 5393 1 293 . 1 1 35 35 VAL HG11 H 1 0.989 0.05 . 2 . . . . . . . . 5393 1 294 . 1 1 35 35 VAL HG12 H 1 0.989 0.05 . 2 . . . . . . . . 5393 1 295 . 1 1 35 35 VAL HG13 H 1 0.989 0.05 . 2 . . . . . . . . 5393 1 296 . 1 1 35 35 VAL HG21 H 1 0.898 0.05 . 2 . . . . . . . . 5393 1 297 . 1 1 35 35 VAL HG22 H 1 0.898 0.05 . 2 . . . . . . . . 5393 1 298 . 1 1 35 35 VAL HG23 H 1 0.898 0.05 . 2 . . . . . . . . 5393 1 299 . 1 1 35 35 VAL C C 13 177.677 0.1 . 1 . . . . . . . . 5393 1 300 . 1 1 35 35 VAL CA C 13 67.421 0.1 . 1 . . . . . . . . 5393 1 301 . 1 1 35 35 VAL CB C 13 31.009 0.3 . 1 . . . . . . . . 5393 1 302 . 1 1 35 35 VAL N N 15 120.367 0.05 . 1 . . . . . . . . 5393 1 303 . 1 1 36 36 LYS H H 1 7.229 0.02 . 1 . . . . . . . . 5393 1 304 . 1 1 36 36 LYS HA H 1 3.836 0.05 . 1 . . . . . . . . 5393 1 305 . 1 1 36 36 LYS HB2 H 1 0.554 0.05 . 2 . . . . . . . . 5393 1 306 . 1 1 36 36 LYS HB3 H 1 1.144 0.05 . 2 . . . . . . . . 5393 1 307 . 1 1 36 36 LYS HG2 H 1 1.540 0.05 . 2 . . . . . . . . 5393 1 308 . 1 1 36 36 LYS HG3 H 1 1.282 0.05 . 2 . . . . . . . . 5393 1 309 . 1 1 36 36 LYS HD2 H 1 1.275 0.05 . 2 . . . . . . . . 5393 1 310 . 1 1 36 36 LYS HE2 H 1 2.659 0.05 . 2 . . . . . . . . 5393 1 311 . 1 1 36 36 LYS C C 13 179.008 0.1 . 1 . . . . . . . . 5393 1 312 . 1 1 36 36 LYS CA C 13 59.644 0.1 . 1 . . . . . . . . 5393 1 313 . 1 1 36 36 LYS CB C 13 30.729 0.3 . 1 . . . . . . . . 5393 1 314 . 1 1 36 36 LYS N N 15 120.521 0.05 . 1 . . . . . . . . 5393 1 315 . 1 1 37 37 ALA H H 1 7.740 0.02 . 1 . . . . . . . . 5393 1 316 . 1 1 37 37 ALA HA H 1 4.111 0.05 . 1 . . . . . . . . 5393 1 317 . 1 1 37 37 ALA HB1 H 1 1.722 0.05 . 1 . . . . . . . . 5393 1 318 . 1 1 37 37 ALA HB2 H 1 1.722 0.05 . 1 . . . . . . . . 5393 1 319 . 1 1 37 37 ALA HB3 H 1 1.722 0.05 . 1 . . . . . . . . 5393 1 320 . 1 1 37 37 ALA C C 13 178.454 0.1 . 1 . . . . . . . . 5393 1 321 . 1 1 37 37 ALA CA C 13 55.237 0.1 . 1 . . . . . . . . 5393 1 322 . 1 1 37 37 ALA CB C 13 18.654 0.3 . 1 . . . . . . . . 5393 1 323 . 1 1 37 37 ALA N N 15 123.933 0.05 . 1 . . . . . . . . 5393 1 324 . 1 1 38 38 ILE H H 1 8.668 0.02 . 1 . . . . . . . . 5393 1 325 . 1 1 38 38 ILE HA H 1 3.752 0.05 . 1 . . . . . . . . 5393 1 326 . 1 1 38 38 ILE HB H 1 2.188 0.05 . 1 . . . . . . . . 5393 1 327 . 1 1 38 38 ILE HG21 H 1 1.190 0.05 . 1 . . . . . . . . 5393 1 328 . 1 1 38 38 ILE HG22 H 1 1.190 0.05 . 1 . . . . . . . . 5393 1 329 . 1 1 38 38 ILE HG23 H 1 1.190 0.05 . 1 . . . . . . . . 5393 1 330 . 1 1 38 38 ILE HD11 H 1 0.845 0.05 . 1 . . . . . . . . 5393 1 331 . 1 1 38 38 ILE HD12 H 1 0.845 0.05 . 1 . . . . . . . . 5393 1 332 . 1 1 38 38 ILE HD13 H 1 0.845 0.05 . 1 . . . . . . . . 5393 1 333 . 1 1 38 38 ILE C C 13 177.720 0.1 . 1 . . . . . . . . 5393 1 334 . 1 1 38 38 ILE CA C 13 65.919 0.1 . 1 . . . . . . . . 5393 1 335 . 1 1 38 38 ILE CB C 13 37.519 0.3 . 1 . . . . . . . . 5393 1 336 . 1 1 38 38 ILE N N 15 121.456 0.05 . 1 . . . . . . . . 5393 1 337 . 1 1 39 39 ASP H H 1 8.529 0.02 . 1 . . . . . . . . 5393 1 338 . 1 1 39 39 ASP HA H 1 4.641 0.05 . 1 . . . . . . . . 5393 1 339 . 1 1 39 39 ASP HB2 H 1 2.689 0.05 . 2 . . . . . . . . 5393 1 340 . 1 1 39 39 ASP HB3 H 1 2.835 0.05 . 2 . . . . . . . . 5393 1 341 . 1 1 39 39 ASP C C 13 179.029 0.1 . 1 . . . . . . . . 5393 1 342 . 1 1 39 39 ASP CA C 13 57.664 0.1 . 1 . . . . . . . . 5393 1 343 . 1 1 39 39 ASP CB C 13 40.388 0.3 . 1 . . . . . . . . 5393 1 344 . 1 1 39 39 ASP N N 15 122.977 0.05 . 1 . . . . . . . . 5393 1 345 . 1 1 40 40 ALA H H 1 8.040 0.02 . 1 . . . . . . . . 5393 1 346 . 1 1 40 40 ALA HA H 1 4.349 0.05 . 1 . . . . . . . . 5393 1 347 . 1 1 40 40 ALA HB1 H 1 1.774 0.05 . 1 . . . . . . . . 5393 1 348 . 1 1 40 40 ALA HB2 H 1 1.774 0.05 . 1 . . . . . . . . 5393 1 349 . 1 1 40 40 ALA HB3 H 1 1.774 0.05 . 1 . . . . . . . . 5393 1 350 . 1 1 40 40 ALA C C 13 179.719 0.1 . 1 . . . . . . . . 5393 1 351 . 1 1 40 40 ALA CA C 13 54.793 0.1 . 1 . . . . . . . . 5393 1 352 . 1 1 40 40 ALA CB C 13 17.032 0.3 . 1 . . . . . . . . 5393 1 353 . 1 1 40 40 ALA N N 15 125.092 0.05 . 1 . . . . . . . . 5393 1 354 . 1 1 41 41 GLU H H 1 8.749 0.02 . 1 . . . . . . . . 5393 1 355 . 1 1 41 41 GLU HA H 1 3.929 0.05 . 1 . . . . . . . . 5393 1 356 . 1 1 41 41 GLU HB2 H 1 2.079 0.05 . 2 . . . . . . . . 5393 1 357 . 1 1 41 41 GLU HG2 H 1 2.781 0.05 . 2 . . . . . . . . 5393 1 358 . 1 1 41 41 GLU C C 13 176.689 0.1 . 1 . . . . . . . . 5393 1 359 . 1 1 41 41 GLU CA C 13 60.547 0.1 . 1 . . . . . . . . 5393 1 360 . 1 1 41 41 GLU CB C 13 28.097 0.3 . 1 . . . . . . . . 5393 1 361 . 1 1 41 41 GLU N N 15 123.601 0.05 . 1 . . . . . . . . 5393 1 362 . 1 1 42 42 LYS H H 1 8.725 0.02 . 1 . . . . . . . . 5393 1 363 . 1 1 42 42 LYS HA H 1 3.395 0.05 . 1 . . . . . . . . 5393 1 364 . 1 1 42 42 LYS HB2 H 1 2.158 0.05 . 2 . . . . . . . . 5393 1 365 . 1 1 42 42 LYS HB3 H 1 1.562 0.05 . 2 . . . . . . . . 5393 1 366 . 1 1 42 42 LYS HG2 H 1 1.568 0.05 . 2 . . . . . . . . 5393 1 367 . 1 1 42 42 LYS HE3 H 1 2.384 0.05 . 2 . . . . . . . . 5393 1 368 . 1 1 42 42 LYS C C 13 177.557 0.1 . 1 . . . . . . . . 5393 1 369 . 1 1 42 42 LYS CA C 13 60.387 0.1 . 1 . . . . . . . . 5393 1 370 . 1 1 42 42 LYS CB C 13 31.729 0.3 . 1 . . . . . . . . 5393 1 371 . 1 1 42 42 LYS N N 15 122.564 0.05 . 1 . . . . . . . . 5393 1 372 . 1 1 43 43 ALA H H 1 7.720 0.02 . 1 . . . . . . . . 5393 1 373 . 1 1 43 43 ALA HA H 1 4.196 0.05 . 1 . . . . . . . . 5393 1 374 . 1 1 43 43 ALA HB1 H 1 1.629 0.05 . 1 . . . . . . . . 5393 1 375 . 1 1 43 43 ALA HB2 H 1 1.629 0.05 . 1 . . . . . . . . 5393 1 376 . 1 1 43 43 ALA HB3 H 1 1.629 0.05 . 1 . . . . . . . . 5393 1 377 . 1 1 43 43 ALA C C 13 179.469 0.1 . 1 . . . . . . . . 5393 1 378 . 1 1 43 43 ALA CA C 13 54.847 0.1 . 1 . . . . . . . . 5393 1 379 . 1 1 43 43 ALA CB C 13 17.483 0.3 . 1 . . . . . . . . 5393 1 380 . 1 1 43 43 ALA N N 15 120.920 0.05 . 1 . . . . . . . . 5393 1 381 . 1 1 44 44 LEU H H 1 7.716 0.02 . 1 . . . . . . . . 5393 1 382 . 1 1 44 44 LEU HA H 1 4.091 0.05 . 1 . . . . . . . . 5393 1 383 . 1 1 44 44 LEU HB2 H 1 1.626 0.05 . 2 . . . . . . . . 5393 1 384 . 1 1 44 44 LEU HB3 H 1 1.845 0.05 . 2 . . . . . . . . 5393 1 385 . 1 1 44 44 LEU HG H 1 1.423 0.05 . 1 . . . . . . . . 5393 1 386 . 1 1 44 44 LEU HD11 H 1 0.721 0.05 . 2 . . . . . . . . 5393 1 387 . 1 1 44 44 LEU HD12 H 1 0.721 0.05 . 2 . . . . . . . . 5393 1 388 . 1 1 44 44 LEU HD13 H 1 0.721 0.05 . 2 . . . . . . . . 5393 1 389 . 1 1 44 44 LEU HD21 H 1 0.930 0.05 . 2 . . . . . . . . 5393 1 390 . 1 1 44 44 LEU HD22 H 1 0.930 0.05 . 2 . . . . . . . . 5393 1 391 . 1 1 44 44 LEU HD23 H 1 0.930 0.05 . 2 . . . . . . . . 5393 1 392 . 1 1 44 44 LEU C C 13 177.614 0.1 . 1 . . . . . . . . 5393 1 393 . 1 1 44 44 LEU CA C 13 57.926 0.1 . 1 . . . . . . . . 5393 1 394 . 1 1 44 44 LEU CB C 13 41.376 0.3 . 1 . . . . . . . . 5393 1 395 . 1 1 44 44 LEU CD1 C 13 26.189 0.1 . 2 . . . . . . . . 5393 1 396 . 1 1 44 44 LEU N N 15 122.384 0.05 . 1 . . . . . . . . 5393 1 397 . 1 1 45 45 ILE H H 1 8.091 0.02 . 1 . . . . . . . . 5393 1 398 . 1 1 45 45 ILE HA H 1 3.289 0.05 . 1 . . . . . . . . 5393 1 399 . 1 1 45 45 ILE HB H 1 1.514 0.05 . 1 . . . . . . . . 5393 1 400 . 1 1 45 45 ILE HG12 H 1 1.773 0.05 . 2 . . . . . . . . 5393 1 401 . 1 1 45 45 ILE HG13 H 1 0.930 0.05 . 2 . . . . . . . . 5393 1 402 . 1 1 45 45 ILE HG21 H 1 0.539 0.05 . 1 . . . . . . . . 5393 1 403 . 1 1 45 45 ILE HG22 H 1 0.539 0.05 . 1 . . . . . . . . 5393 1 404 . 1 1 45 45 ILE HG23 H 1 0.539 0.05 . 1 . . . . . . . . 5393 1 405 . 1 1 45 45 ILE HD11 H 1 0.327 0.05 . 1 . . . . . . . . 5393 1 406 . 1 1 45 45 ILE HD12 H 1 0.327 0.05 . 1 . . . . . . . . 5393 1 407 . 1 1 45 45 ILE HD13 H 1 0.327 0.05 . 1 . . . . . . . . 5393 1 408 . 1 1 45 45 ILE C C 13 178.470 0.1 . 1 . . . . . . . . 5393 1 409 . 1 1 45 45 ILE CA C 13 66.045 0.1 . 1 . . . . . . . . 5393 1 410 . 1 1 45 45 ILE CB C 13 38.110 0.3 . 1 . . . . . . . . 5393 1 411 . 1 1 45 45 ILE CG1 C 13 16.767 0.1 . 2 . . . . . . . . 5393 1 412 . 1 1 45 45 ILE CD1 C 13 14.119 0.1 . 1 . . . . . . . . 5393 1 413 . 1 1 45 45 ILE N N 15 121.725 0.05 . 1 . . . . . . . . 5393 1 414 . 1 1 46 46 ASN H H 1 8.238 0.02 . 1 . . . . . . . . 5393 1 415 . 1 1 46 46 ASN HA H 1 4.346 0.05 . 1 . . . . . . . . 5393 1 416 . 1 1 46 46 ASN HB2 H 1 2.733 0.05 . 2 . . . . . . . . 5393 1 417 . 1 1 46 46 ASN HB3 H 1 3.179 0.05 . 2 . . . . . . . . 5393 1 418 . 1 1 46 46 ASN C C 13 178.265 0.1 . 1 . . . . . . . . 5393 1 419 . 1 1 46 46 ASN CA C 13 56.948 0.1 . 1 . . . . . . . . 5393 1 420 . 1 1 46 46 ASN CB C 13 39.034 0.3 . 1 . . . . . . . . 5393 1 421 . 1 1 46 46 ASN N N 15 119.760 0.05 . 1 . . . . . . . . 5393 1 422 . 1 1 47 47 THR H H 1 8.989 0.02 . 1 . . . . . . . . 5393 1 423 . 1 1 47 47 THR HA H 1 3.832 0.05 . 1 . . . . . . . . 5393 1 424 . 1 1 47 47 THR HB H 1 4.400 0.05 . 1 . . . . . . . . 5393 1 425 . 1 1 47 47 THR HG21 H 1 1.374 0.05 . 1 . . . . . . . . 5393 1 426 . 1 1 47 47 THR HG22 H 1 1.374 0.05 . 1 . . . . . . . . 5393 1 427 . 1 1 47 47 THR HG23 H 1 1.374 0.05 . 1 . . . . . . . . 5393 1 428 . 1 1 47 47 THR C C 13 177.124 0.1 . 1 . . . . . . . . 5393 1 429 . 1 1 47 47 THR CA C 13 67.399 0.1 . 1 . . . . . . . . 5393 1 430 . 1 1 47 47 THR CB C 13 69.287 0.3 . 1 . . . . . . . . 5393 1 431 . 1 1 47 47 THR N N 15 122.728 0.05 . 1 . . . . . . . . 5393 1 432 . 1 1 48 48 ALA H H 1 8.646 0.02 . 1 . . . . . . . . 5393 1 433 . 1 1 48 48 ALA HA H 1 3.998 0.05 . 1 . . . . . . . . 5393 1 434 . 1 1 48 48 ALA HB1 H 1 0.007 0.05 . 1 . . . . . . . . 5393 1 435 . 1 1 48 48 ALA HB2 H 1 0.007 0.05 . 1 . . . . . . . . 5393 1 436 . 1 1 48 48 ALA HB3 H 1 0.007 0.05 . 1 . . . . . . . . 5393 1 437 . 1 1 48 48 ALA C C 13 177.406 0.1 . 1 . . . . . . . . 5393 1 438 . 1 1 48 48 ALA CA C 13 55.438 0.1 . 1 . . . . . . . . 5393 1 439 . 1 1 48 48 ALA CB C 13 15.463 0.3 . 1 . . . . . . . . 5393 1 440 . 1 1 48 48 ALA N N 15 128.647 0.05 . 1 . . . . . . . . 5393 1 441 . 1 1 49 49 SER H H 1 7.593 0.02 . 1 . . . . . . . . 5393 1 442 . 1 1 49 49 SER HA H 1 4.312 0.05 . 1 . . . . . . . . 5393 1 443 . 1 1 49 49 SER HB2 H 1 4.138 0.05 . 2 . . . . . . . . 5393 1 444 . 1 1 49 49 SER C C 13 175.645 0.1 . 1 . . . . . . . . 5393 1 445 . 1 1 49 49 SER CA C 13 60.907 0.1 . 1 . . . . . . . . 5393 1 446 . 1 1 49 49 SER CB C 13 63.486 0.3 . 1 . . . . . . . . 5393 1 447 . 1 1 49 49 SER N N 15 111.216 0.05 . 1 . . . . . . . . 5393 1 448 . 1 1 50 50 GLN H H 1 7.502 0.02 . 1 . . . . . . . . 5393 1 449 . 1 1 50 50 GLN HA H 1 4.831 0.05 . 1 . . . . . . . . 5393 1 450 . 1 1 50 50 GLN HB2 H 1 2.105 0.05 . 2 . . . . . . . . 5393 1 451 . 1 1 50 50 GLN HG2 H 1 2.473 0.05 . 2 . . . . . . . . 5393 1 452 . 1 1 50 50 GLN C C 13 176.312 0.1 . 1 . . . . . . . . 5393 1 453 . 1 1 50 50 GLN CA C 13 55.071 0.1 . 1 . . . . . . . . 5393 1 454 . 1 1 50 50 GLN CB C 13 32.148 0.3 . 1 . . . . . . . . 5393 1 455 . 1 1 50 50 GLN N N 15 118.997 0.05 . 1 . . . . . . . . 5393 1 456 . 1 1 51 51 SER H H 1 7.749 0.02 . 1 . . . . . . . . 5393 1 457 . 1 1 51 51 SER HA H 1 5.344 0.05 . 1 . . . . . . . . 5393 1 458 . 1 1 51 51 SER HB2 H 1 4.068 0.05 . 2 . . . . . . . . 5393 1 459 . 1 1 51 51 SER HB3 H 1 3.912 0.05 . 2 . . . . . . . . 5393 1 460 . 1 1 51 51 SER C C 13 172.390 0.1 . 1 . . . . . . . . 5393 1 461 . 1 1 51 51 SER CA C 13 58.328 0.1 . 1 . . . . . . . . 5393 1 462 . 1 1 51 51 SER CB C 13 66.612 0.3 . 1 . . . . . . . . 5393 1 463 . 1 1 51 51 SER N N 15 116.870 0.05 . 1 . . . . . . . . 5393 1 464 . 1 1 52 52 LYS H H 1 8.464 0.02 . 1 . . . . . . . . 5393 1 465 . 1 1 52 52 LYS HA H 1 4.386 0.05 . 1 . . . . . . . . 5393 1 466 . 1 1 52 52 LYS HG2 H 1 1.658 0.05 . 2 . . . . . . . . 5393 1 467 . 1 1 52 52 LYS HG3 H 1 1.352 0.05 . 2 . . . . . . . . 5393 1 468 . 1 1 52 52 LYS C C 13 176.781 0.1 . 1 . . . . . . . . 5393 1 469 . 1 1 52 52 LYS CA C 13 55.968 0.1 . 1 . . . . . . . . 5393 1 470 . 1 1 52 52 LYS CB C 13 33.190 0.3 . 1 . . . . . . . . 5393 1 471 . 1 1 52 52 LYS N N 15 124.416 0.05 . 1 . . . . . . . . 5393 1 472 . 1 1 53 53 LYS H H 1 8.654 0.02 . 1 . . . . . . . . 5393 1 473 . 1 1 53 53 LYS HA H 1 3.050 0.05 . 1 . . . . . . . . 5393 1 474 . 1 1 53 53 LYS HB2 H 1 1.793 0.05 . 2 . . . . . . . . 5393 1 475 . 1 1 53 53 LYS HB3 H 1 2.427 0.05 . 2 . . . . . . . . 5393 1 476 . 1 1 53 53 LYS HG2 H 1 1.112 0.05 . 2 . . . . . . . . 5393 1 477 . 1 1 53 53 LYS CA C 13 54.745 0.1 . 1 . . . . . . . . 5393 1 478 . 1 1 53 53 LYS CG C 13 24.152 0.1 . 1 . . . . . . . . 5393 1 479 . 1 1 53 53 LYS N N 15 126.401 0.05 . 1 . . . . . . . . 5393 1 480 . 1 1 54 54 PRO C C 13 175.630 0.1 . 1 . . . . . . . . 5393 1 481 . 1 1 54 54 PRO CA C 13 61.669 0.1 . 1 . . . . . . . . 5393 1 482 . 1 1 54 54 PRO CB C 13 32.244 0.3 . 1 . . . . . . . . 5393 1 483 . 1 1 55 55 SER H H 1 8.259 0.02 . 1 . . . . . . . . 5393 1 484 . 1 1 55 55 SER HA H 1 4.278 0.05 . 1 . . . . . . . . 5393 1 485 . 1 1 55 55 SER HB2 H 1 4.184 0.05 . 2 . . . . . . . . 5393 1 486 . 1 1 55 55 SER HB3 H 1 4.046 0.05 . 2 . . . . . . . . 5393 1 487 . 1 1 55 55 SER C C 13 174.948 0.1 . 1 . . . . . . . . 5393 1 488 . 1 1 55 55 SER CA C 13 57.501 0.1 . 1 . . . . . . . . 5393 1 489 . 1 1 55 55 SER CB C 13 64.581 0.3 . 1 . . . . . . . . 5393 1 490 . 1 1 55 55 SER N N 15 114.111 0.05 . 1 . . . . . . . . 5393 1 491 . 1 1 56 56 GLN H H 1 8.800 0.02 . 1 . . . . . . . . 5393 1 492 . 1 1 56 56 GLN HA H 1 3.939 0.05 . 1 . . . . . . . . 5393 1 493 . 1 1 56 56 GLN HB2 H 1 2.174 0.05 . 2 . . . . . . . . 5393 1 494 . 1 1 56 56 GLN HB3 H 1 2.025 0.05 . 2 . . . . . . . . 5393 1 495 . 1 1 56 56 GLN HG2 H 1 2.454 0.05 . 2 . . . . . . . . 5393 1 496 . 1 1 56 56 GLN C C 13 177.519 0.1 . 1 . . . . . . . . 5393 1 497 . 1 1 56 56 GLN CA C 13 59.362 0.1 . 1 . . . . . . . . 5393 1 498 . 1 1 56 56 GLN CB C 13 28.076 0.3 . 1 . . . . . . . . 5393 1 499 . 1 1 56 56 GLN N N 15 122.598 0.05 . 1 . . . . . . . . 5393 1 500 . 1 1 57 57 GLU H H 1 8.749 0.02 . 1 . . . . . . . . 5393 1 501 . 1 1 57 57 GLU HA H 1 3.974 0.05 . 1 . . . . . . . . 5393 1 502 . 1 1 57 57 GLU HB2 H 1 2.061 0.05 . 2 . . . . . . . . 5393 1 503 . 1 1 57 57 GLU C C 13 178.536 0.1 . 1 . . . . . . . . 5393 1 504 . 1 1 57 57 GLU CA C 13 60.325 0.1 . 1 . . . . . . . . 5393 1 505 . 1 1 57 57 GLU CB C 13 28.699 0.3 . 1 . . . . . . . . 5393 1 506 . 1 1 57 57 GLU N N 15 118.276 0.05 . 1 . . . . . . . . 5393 1 507 . 1 1 58 58 THR H H 1 7.650 0.02 . 1 . . . . . . . . 5393 1 508 . 1 1 58 58 THR HA H 1 4.025 0.05 . 1 . . . . . . . . 5393 1 509 . 1 1 58 58 THR HB H 1 4.145 0.05 . 1 . . . . . . . . 5393 1 510 . 1 1 58 58 THR HG21 H 1 1.204 0.05 . 1 . . . . . . . . 5393 1 511 . 1 1 58 58 THR HG22 H 1 1.204 0.05 . 1 . . . . . . . . 5393 1 512 . 1 1 58 58 THR HG23 H 1 1.204 0.05 . 1 . . . . . . . . 5393 1 513 . 1 1 58 58 THR C C 13 176.230 0.1 . 1 . . . . . . . . 5393 1 514 . 1 1 58 58 THR CA C 13 66.162 0.1 . 1 . . . . . . . . 5393 1 515 . 1 1 58 58 THR CB C 13 67.912 0.3 . 1 . . . . . . . . 5393 1 516 . 1 1 58 58 THR N N 15 119.528 0.05 . 1 . . . . . . . . 5393 1 517 . 1 1 59 59 LEU H H 1 8.427 0.02 . 1 . . . . . . . . 5393 1 518 . 1 1 59 59 LEU HA H 1 3.867 0.05 . 1 . . . . . . . . 5393 1 519 . 1 1 59 59 LEU HB2 H 1 2.193 0.05 . 2 . . . . . . . . 5393 1 520 . 1 1 59 59 LEU HB3 H 1 1.868 0.05 . 2 . . . . . . . . 5393 1 521 . 1 1 59 59 LEU HG H 1 1.471 0.05 . 1 . . . . . . . . 5393 1 522 . 1 1 59 59 LEU HD21 H 1 0.953 0.05 . 2 . . . . . . . . 5393 1 523 . 1 1 59 59 LEU HD22 H 1 0.953 0.05 . 2 . . . . . . . . 5393 1 524 . 1 1 59 59 LEU HD23 H 1 0.953 0.05 . 2 . . . . . . . . 5393 1 525 . 1 1 59 59 LEU C C 13 177.613 0.1 . 1 . . . . . . . . 5393 1 526 . 1 1 59 59 LEU CA C 13 58.759 0.1 . 1 . . . . . . . . 5393 1 527 . 1 1 59 59 LEU CB C 13 41.440 0.3 . 1 . . . . . . . . 5393 1 528 . 1 1 59 59 LEU N N 15 125.158 0.05 . 1 . . . . . . . . 5393 1 529 . 1 1 60 60 LEU H H 1 7.876 0.02 . 1 . . . . . . . . 5393 1 530 . 1 1 60 60 LEU HA H 1 3.995 0.05 . 1 . . . . . . . . 5393 1 531 . 1 1 60 60 LEU HB2 H 1 1.904 0.05 . 2 . . . . . . . . 5393 1 532 . 1 1 60 60 LEU HB3 H 1 1.511 0.05 . 2 . . . . . . . . 5393 1 533 . 1 1 60 60 LEU HD21 H 1 0.934 0.05 . 2 . . . . . . . . 5393 1 534 . 1 1 60 60 LEU HD22 H 1 0.934 0.05 . 2 . . . . . . . . 5393 1 535 . 1 1 60 60 LEU HD23 H 1 0.934 0.05 . 2 . . . . . . . . 5393 1 536 . 1 1 60 60 LEU C C 13 179.125 0.1 . 1 . . . . . . . . 5393 1 537 . 1 1 60 60 LEU CA C 13 57.604 0.1 . 1 . . . . . . . . 5393 1 538 . 1 1 60 60 LEU CB C 13 41.097 0.3 . 1 . . . . . . . . 5393 1 539 . 1 1 60 60 LEU CG C 13 26.233 0.1 . 1 . . . . . . . . 5393 1 540 . 1 1 60 60 LEU N N 15 116.841 0.05 . 1 . . . . . . . . 5393 1 541 . 1 1 61 61 GLU H H 1 7.264 0.02 . 1 . . . . . . . . 5393 1 542 . 1 1 61 61 GLU HA H 1 4.100 0.05 . 1 . . . . . . . . 5393 1 543 . 1 1 61 61 GLU HB2 H 1 2.221 0.05 . 2 . . . . . . . . 5393 1 544 . 1 1 61 61 GLU HB3 H 1 1.880 0.05 . 2 . . . . . . . . 5393 1 545 . 1 1 61 61 GLU HG2 H 1 2.246 0.05 . 2 . . . . . . . . 5393 1 546 . 1 1 61 61 GLU HG3 H 1 2.334 0.05 . 2 . . . . . . . . 5393 1 547 . 1 1 61 61 GLU C C 13 179.347 0.1 . 1 . . . . . . . . 5393 1 548 . 1 1 61 61 GLU CA C 13 58.886 0.1 . 1 . . . . . . . . 5393 1 549 . 1 1 61 61 GLU CB C 13 29.419 0.3 . 1 . . . . . . . . 5393 1 550 . 1 1 61 61 GLU N N 15 118.939 0.05 . 1 . . . . . . . . 5393 1 551 . 1 1 62 62 LEU H H 1 8.209 0.02 . 1 . . . . . . . . 5393 1 552 . 1 1 62 62 LEU HA H 1 4.161 0.05 . 1 . . . . . . . . 5393 1 553 . 1 1 62 62 LEU HB2 H 1 1.540 0.05 . 2 . . . . . . . . 5393 1 554 . 1 1 62 62 LEU HB3 H 1 2.171 0.05 . 2 . . . . . . . . 5393 1 555 . 1 1 62 62 LEU HG H 1 2.007 0.05 . 1 . . . . . . . . 5393 1 556 . 1 1 62 62 LEU HD21 H 1 0.933 0.05 . 2 . . . . . . . . 5393 1 557 . 1 1 62 62 LEU HD22 H 1 0.933 0.05 . 2 . . . . . . . . 5393 1 558 . 1 1 62 62 LEU HD23 H 1 0.933 0.05 . 2 . . . . . . . . 5393 1 559 . 1 1 62 62 LEU C C 13 178.487 0.1 . 1 . . . . . . . . 5393 1 560 . 1 1 62 62 LEU CA C 13 57.313 0.1 . 1 . . . . . . . . 5393 1 561 . 1 1 62 62 LEU CB C 13 41.902 0.3 . 1 . . . . . . . . 5393 1 562 . 1 1 62 62 LEU CG C 13 26.422 0.1 . 1 . . . . . . . . 5393 1 563 . 1 1 62 62 LEU N N 15 120.771 0.05 . 1 . . . . . . . . 5393 1 564 . 1 1 63 63 ILE H H 1 7.515 0.02 . 1 . . . . . . . . 5393 1 565 . 1 1 63 63 ILE HA H 1 4.420 0.05 . 1 . . . . . . . . 5393 1 566 . 1 1 63 63 ILE HB H 1 2.127 0.05 . 1 . . . . . . . . 5393 1 567 . 1 1 63 63 ILE HG12 H 1 1.584 0.05 . 2 . . . . . . . . 5393 1 568 . 1 1 63 63 ILE HG13 H 1 1.329 0.05 . 2 . . . . . . . . 5393 1 569 . 1 1 63 63 ILE HG21 H 1 0.931 0.05 . 1 . . . . . . . . 5393 1 570 . 1 1 63 63 ILE HG22 H 1 0.931 0.05 . 1 . . . . . . . . 5393 1 571 . 1 1 63 63 ILE HG23 H 1 0.931 0.05 . 1 . . . . . . . . 5393 1 572 . 1 1 63 63 ILE HD11 H 1 0.848 0.05 . 1 . . . . . . . . 5393 1 573 . 1 1 63 63 ILE HD12 H 1 0.848 0.05 . 1 . . . . . . . . 5393 1 574 . 1 1 63 63 ILE HD13 H 1 0.848 0.05 . 1 . . . . . . . . 5393 1 575 . 1 1 63 63 ILE C C 13 175.706 0.1 . 1 . . . . . . . . 5393 1 576 . 1 1 63 63 ILE CA C 13 61.152 0.1 . 1 . . . . . . . . 5393 1 577 . 1 1 63 63 ILE CB C 13 38.271 0.3 . 1 . . . . . . . . 5393 1 578 . 1 1 63 63 ILE CD1 C 13 17.473 0.1 . 1 . . . . . . . . 5393 1 579 . 1 1 63 63 ILE N N 15 109.825 0.05 . 1 . . . . . . . . 5393 1 580 . 1 1 64 64 LYS H H 1 7.321 0.02 . 1 . . . . . . . . 5393 1 581 . 1 1 64 64 LYS HA H 1 4.126 0.05 . 1 . . . . . . . . 5393 1 582 . 1 1 64 64 LYS HB2 H 1 2.053 0.05 . 2 . . . . . . . . 5393 1 583 . 1 1 64 64 LYS HB3 H 1 1.903 0.05 . 2 . . . . . . . . 5393 1 584 . 1 1 64 64 LYS HG2 H 1 1.435 0.05 . 2 . . . . . . . . 5393 1 585 . 1 1 64 64 LYS CA C 13 61.830 0.1 . 1 . . . . . . . . 5393 1 586 . 1 1 64 64 LYS N N 15 124.685 0.05 . 1 . . . . . . . . 5393 1 587 . 1 1 65 65 PRO HA H 1 4.116 0.05 . 1 . . . . . . . . 5393 1 588 . 1 1 65 65 PRO HB2 H 1 2.377 0.05 . 2 . . . . . . . . 5393 1 589 . 1 1 65 65 PRO HB3 H 1 1.861 0.05 . 2 . . . . . . . . 5393 1 590 . 1 1 65 65 PRO C C 13 178.141 0.1 . 1 . . . . . . . . 5393 1 591 . 1 1 65 65 PRO CA C 13 66.331 0.1 . 1 . . . . . . . . 5393 1 592 . 1 1 65 65 PRO CB C 13 30.686 0.3 . 1 . . . . . . . . 5393 1 593 . 1 1 66 66 LEU H H 1 7.312 0.02 . 1 . . . . . . . . 5393 1 594 . 1 1 66 66 LEU HA H 1 4.063 0.05 . 1 . . . . . . . . 5393 1 595 . 1 1 66 66 LEU HB3 H 1 1.915 0.05 . 2 . . . . . . . . 5393 1 596 . 1 1 66 66 LEU HG H 1 1.749 0.05 . 1 . . . . . . . . 5393 1 597 . 1 1 66 66 LEU HD11 H 1 0.900 0.05 . 2 . . . . . . . . 5393 1 598 . 1 1 66 66 LEU HD12 H 1 0.900 0.05 . 2 . . . . . . . . 5393 1 599 . 1 1 66 66 LEU HD13 H 1 0.900 0.05 . 2 . . . . . . . . 5393 1 600 . 1 1 66 66 LEU C C 13 178.011 0.1 . 1 . . . . . . . . 5393 1 601 . 1 1 66 66 LEU CA C 13 59.121 0.1 . 1 . . . . . . . . 5393 1 602 . 1 1 66 66 LEU CB C 13 41.602 0.3 . 1 . . . . . . . . 5393 1 603 . 1 1 66 66 LEU N N 15 117.001 0.05 . 1 . . . . . . . . 5393 1 604 . 1 1 67 67 ASN H H 1 7.930 0.02 . 1 . . . . . . . . 5393 1 605 . 1 1 67 67 ASN HA H 1 4.444 0.05 . 1 . . . . . . . . 5393 1 606 . 1 1 67 67 ASN HB2 H 1 2.805 0.05 . 2 . . . . . . . . 5393 1 607 . 1 1 67 67 ASN HB3 H 1 2.946 0.05 . 2 . . . . . . . . 5393 1 608 . 1 1 67 67 ASN HD21 H 1 7.502 0.05 . 2 . . . . . . . . 5393 1 609 . 1 1 67 67 ASN HD22 H 1 6.417 0.05 . 2 . . . . . . . . 5393 1 610 . 1 1 67 67 ASN C C 13 177.005 0.1 . 1 . . . . . . . . 5393 1 611 . 1 1 67 67 ASN CA C 13 55.293 0.1 . 1 . . . . . . . . 5393 1 612 . 1 1 67 67 ASN CB C 13 37.476 0.3 . 1 . . . . . . . . 5393 1 613 . 1 1 67 67 ASN N N 15 118.238 0.05 . 1 . . . . . . . . 5393 1 614 . 1 1 67 67 ASN ND2 N 15 110.380 0.05 . 1 . . . . . . . . 5393 1 615 . 1 1 68 68 ASN H H 1 8.372 0.02 . 1 . . . . . . . . 5393 1 616 . 1 1 68 68 ASN HA H 1 4.481 0.05 . 1 . . . . . . . . 5393 1 617 . 1 1 68 68 ASN HB2 H 1 2.670 0.05 . 2 . . . . . . . . 5393 1 618 . 1 1 68 68 ASN C C 13 177.994 0.1 . 1 . . . . . . . . 5393 1 619 . 1 1 68 68 ASN CA C 13 56.103 0.1 . 1 . . . . . . . . 5393 1 620 . 1 1 68 68 ASN CB C 13 37.498 0.3 . 1 . . . . . . . . 5393 1 621 . 1 1 68 68 ASN N N 15 122.745 0.05 . 1 . . . . . . . . 5393 1 622 . 1 1 69 69 PHE H H 1 7.988 0.02 . 1 . . . . . . . . 5393 1 623 . 1 1 69 69 PHE HA H 1 4.655 0.05 . 1 . . . . . . . . 5393 1 624 . 1 1 69 69 PHE HB2 H 1 2.922 0.05 . 2 . . . . . . . . 5393 1 625 . 1 1 69 69 PHE HB3 H 1 3.442 0.05 . 2 . . . . . . . . 5393 1 626 . 1 1 69 69 PHE C C 13 177.973 0.1 . 1 . . . . . . . . 5393 1 627 . 1 1 69 69 PHE CA C 13 61.358 0.1 . 1 . . . . . . . . 5393 1 628 . 1 1 69 69 PHE CB C 13 39.109 0.3 . 1 . . . . . . . . 5393 1 629 . 1 1 69 69 PHE N N 15 120.956 0.05 . 1 . . . . . . . . 5393 1 630 . 1 1 70 70 ALA H H 1 8.346 0.02 . 1 . . . . . . . . 5393 1 631 . 1 1 70 70 ALA HA H 1 3.948 0.05 . 1 . . . . . . . . 5393 1 632 . 1 1 70 70 ALA HB1 H 1 1.526 0.05 . 1 . . . . . . . . 5393 1 633 . 1 1 70 70 ALA HB2 H 1 1.526 0.05 . 1 . . . . . . . . 5393 1 634 . 1 1 70 70 ALA HB3 H 1 1.526 0.05 . 1 . . . . . . . . 5393 1 635 . 1 1 70 70 ALA C C 13 179.701 0.1 . 1 . . . . . . . . 5393 1 636 . 1 1 70 70 ALA CA C 13 55.594 0.1 . 1 . . . . . . . . 5393 1 637 . 1 1 70 70 ALA CB C 13 18.375 0.3 . 1 . . . . . . . . 5393 1 638 . 1 1 70 70 ALA N N 15 121.735 0.05 . 1 . . . . . . . . 5393 1 639 . 1 1 71 71 ALA H H 1 8.121 0.02 . 1 . . . . . . . . 5393 1 640 . 1 1 71 71 ALA HA H 1 3.953 0.05 . 1 . . . . . . . . 5393 1 641 . 1 1 71 71 ALA HB1 H 1 1.633 0.05 . 1 . . . . . . . . 5393 1 642 . 1 1 71 71 ALA HB2 H 1 1.633 0.05 . 1 . . . . . . . . 5393 1 643 . 1 1 71 71 ALA HB3 H 1 1.633 0.05 . 1 . . . . . . . . 5393 1 644 . 1 1 71 71 ALA C C 13 179.984 0.1 . 1 . . . . . . . . 5393 1 645 . 1 1 71 71 ALA CA C 13 54.817 0.1 . 1 . . . . . . . . 5393 1 646 . 1 1 71 71 ALA CB C 13 17.687 0.3 . 1 . . . . . . . . 5393 1 647 . 1 1 71 71 ALA N N 15 122.028 0.05 . 1 . . . . . . . . 5393 1 648 . 1 1 72 72 GLU H H 1 7.793 0.02 . 1 . . . . . . . . 5393 1 649 . 1 1 72 72 GLU HA H 1 4.197 0.05 . 1 . . . . . . . . 5393 1 650 . 1 1 72 72 GLU HB2 H 1 2.011 0.05 . 2 . . . . . . . . 5393 1 651 . 1 1 72 72 GLU HG2 H 1 2.431 0.05 . 2 . . . . . . . . 5393 1 652 . 1 1 72 72 GLU HG3 H 1 2.279 0.05 . 2 . . . . . . . . 5393 1 653 . 1 1 72 72 GLU C C 13 178.481 0.1 . 1 . . . . . . . . 5393 1 654 . 1 1 72 72 GLU CA C 13 58.905 0.1 . 1 . . . . . . . . 5393 1 655 . 1 1 72 72 GLU CB C 13 29.011 0.3 . 1 . . . . . . . . 5393 1 656 . 1 1 72 72 GLU N N 15 121.288 0.05 . 1 . . . . . . . . 5393 1 657 . 1 1 73 73 VAL H H 1 8.006 0.02 . 1 . . . . . . . . 5393 1 658 . 1 1 73 73 VAL HA H 1 3.681 0.05 . 1 . . . . . . . . 5393 1 659 . 1 1 73 73 VAL HB H 1 2.690 0.05 . 1 . . . . . . . . 5393 1 660 . 1 1 73 73 VAL HG11 H 1 0.961 0.05 . 2 . . . . . . . . 5393 1 661 . 1 1 73 73 VAL HG12 H 1 0.961 0.05 . 2 . . . . . . . . 5393 1 662 . 1 1 73 73 VAL HG13 H 1 0.961 0.05 . 2 . . . . . . . . 5393 1 663 . 1 1 73 73 VAL HG21 H 1 1.190 0.05 . 2 . . . . . . . . 5393 1 664 . 1 1 73 73 VAL HG22 H 1 1.190 0.05 . 2 . . . . . . . . 5393 1 665 . 1 1 73 73 VAL HG23 H 1 1.190 0.05 . 2 . . . . . . . . 5393 1 666 . 1 1 73 73 VAL C C 13 178.661 0.1 . 1 . . . . . . . . 5393 1 667 . 1 1 73 73 VAL CA C 13 67.274 0.1 . 1 . . . . . . . . 5393 1 668 . 1 1 73 73 VAL CB C 13 31.439 0.3 . 1 . . . . . . . . 5393 1 669 . 1 1 73 73 VAL CG1 C 13 22.595 0.1 . 2 . . . . . . . . 5393 1 670 . 1 1 73 73 VAL N N 15 119.742 0.05 . 1 . . . . . . . . 5393 1 671 . 1 1 74 74 GLY H H 1 7.693 0.02 . 1 . . . . . . . . 5393 1 672 . 1 1 74 74 GLY HA2 H 1 3.936 0.05 . 2 . . . . . . . . 5393 1 673 . 1 1 74 74 GLY HA3 H 1 4.135 0.05 . 2 . . . . . . . . 5393 1 674 . 1 1 74 74 GLY C C 13 175.551 0.1 . 1 . . . . . . . . 5393 1 675 . 1 1 74 74 GLY CA C 13 47.465 0.1 . 1 . . . . . . . . 5393 1 676 . 1 1 74 74 GLY N N 15 108.236 0.05 . 1 . . . . . . . . 5393 1 677 . 1 1 75 75 LYS H H 1 8.160 0.02 . 1 . . . . . . . . 5393 1 678 . 1 1 75 75 LYS HA H 1 4.163 0.05 . 1 . . . . . . . . 5393 1 679 . 1 1 75 75 LYS HB2 H 1 2.019 0.05 . 2 . . . . . . . . 5393 1 680 . 1 1 75 75 LYS HG2 H 1 1.493 0.05 . 2 . . . . . . . . 5393 1 681 . 1 1 75 75 LYS HD2 H 1 1.689 0.05 . 2 . . . . . . . . 5393 1 682 . 1 1 75 75 LYS C C 13 179.339 0.1 . 1 . . . . . . . . 5393 1 683 . 1 1 75 75 LYS CA C 13 59.703 0.1 . 1 . . . . . . . . 5393 1 684 . 1 1 75 75 LYS CB C 13 32.448 0.3 . 1 . . . . . . . . 5393 1 685 . 1 1 75 75 LYS N N 15 124.579 0.05 . 1 . . . . . . . . 5393 1 686 . 1 1 76 76 ILE H H 1 8.135 0.02 . 1 . . . . . . . . 5393 1 687 . 1 1 76 76 ILE HA H 1 3.754 0.05 . 1 . . . . . . . . 5393 1 688 . 1 1 76 76 ILE HB H 1 1.777 0.05 . 1 . . . . . . . . 5393 1 689 . 1 1 76 76 ILE HG12 H 1 1.166 0.05 . 2 . . . . . . . . 5393 1 690 . 1 1 76 76 ILE HG13 H 1 1.996 0.05 . 2 . . . . . . . . 5393 1 691 . 1 1 76 76 ILE HG21 H 1 0.997 0.05 . 1 . . . . . . . . 5393 1 692 . 1 1 76 76 ILE HG22 H 1 0.997 0.05 . 1 . . . . . . . . 5393 1 693 . 1 1 76 76 ILE HG23 H 1 0.997 0.05 . 1 . . . . . . . . 5393 1 694 . 1 1 76 76 ILE HD11 H 1 0.883 0.05 . 1 . . . . . . . . 5393 1 695 . 1 1 76 76 ILE HD12 H 1 0.883 0.05 . 1 . . . . . . . . 5393 1 696 . 1 1 76 76 ILE HD13 H 1 0.883 0.05 . 1 . . . . . . . . 5393 1 697 . 1 1 76 76 ILE C C 13 178.001 0.1 . 1 . . . . . . . . 5393 1 698 . 1 1 76 76 ILE CA C 13 65.319 0.1 . 1 . . . . . . . . 5393 1 699 . 1 1 76 76 ILE CB C 13 39.088 0.3 . 1 . . . . . . . . 5393 1 700 . 1 1 76 76 ILE CG2 C 13 17.846 0.1 . 2 . . . . . . . . 5393 1 701 . 1 1 76 76 ILE N N 15 120.580 0.05 . 1 . . . . . . . . 5393 1 702 . 1 1 77 77 ARG H H 1 7.095 0.02 . 1 . . . . . . . . 5393 1 703 . 1 1 77 77 ARG HA H 1 4.020 0.05 . 1 . . . . . . . . 5393 1 704 . 1 1 77 77 ARG HB2 H 1 2.128 0.05 . 2 . . . . . . . . 5393 1 705 . 1 1 77 77 ARG HB3 H 1 2.288 0.05 . 2 . . . . . . . . 5393 1 706 . 1 1 77 77 ARG C C 13 177.698 0.1 . 1 . . . . . . . . 5393 1 707 . 1 1 77 77 ARG CA C 13 60.897 0.1 . 1 . . . . . . . . 5393 1 708 . 1 1 77 77 ARG CB C 13 29.698 0.3 . 1 . . . . . . . . 5393 1 709 . 1 1 77 77 ARG N N 15 121.576 0.05 . 1 . . . . . . . . 5393 1 710 . 1 1 78 78 ASP H H 1 8.454 0.02 . 1 . . . . . . . . 5393 1 711 . 1 1 78 78 ASP HA H 1 4.466 0.05 . 1 . . . . . . . . 5393 1 712 . 1 1 78 78 ASP HB2 H 1 2.839 0.05 . 2 . . . . . . . . 5393 1 713 . 1 1 78 78 ASP C C 13 177.707 0.1 . 1 . . . . . . . . 5393 1 714 . 1 1 78 78 ASP CA C 13 57.554 0.1 . 1 . . . . . . . . 5393 1 715 . 1 1 78 78 ASP CB C 13 40.678 0.3 . 1 . . . . . . . . 5393 1 716 . 1 1 78 78 ASP N N 15 119.061 0.05 . 1 . . . . . . . . 5393 1 717 . 1 1 79 79 SER H H 1 7.941 0.02 . 1 . . . . . . . . 5393 1 718 . 1 1 79 79 SER HA H 1 4.601 0.05 . 1 . . . . . . . . 5393 1 719 . 1 1 79 79 SER HB2 H 1 4.068 0.05 . 2 . . . . . . . . 5393 1 720 . 1 1 79 79 SER C C 13 174.444 0.1 . 1 . . . . . . . . 5393 1 721 . 1 1 79 79 SER CA C 13 59.356 0.1 . 1 . . . . . . . . 5393 1 722 . 1 1 79 79 SER CB C 13 64.012 0.3 . 1 . . . . . . . . 5393 1 723 . 1 1 79 79 SER N N 15 113.311 0.05 . 1 . . . . . . . . 5393 1 724 . 1 1 80 80 ASN H H 1 7.671 0.02 . 1 . . . . . . . . 5393 1 725 . 1 1 80 80 ASN HA H 1 5.285 0.05 . 1 . . . . . . . . 5393 1 726 . 1 1 80 80 ASN HB2 H 1 2.630 0.05 . 2 . . . . . . . . 5393 1 727 . 1 1 80 80 ASN HB3 H 1 3.004 0.05 . 2 . . . . . . . . 5393 1 728 . 1 1 80 80 ASN C C 13 180.234 0.1 . 1 . . . . . . . . 5393 1 729 . 1 1 80 80 ASN CA C 13 53.534 0.1 . 1 . . . . . . . . 5393 1 730 . 1 1 80 80 ASN CB C 13 40.785 0.3 . 1 . . . . . . . . 5393 1 731 . 1 1 80 80 ASN N N 15 123.048 0.05 . 1 . . . . . . . . 5393 1 732 . 1 1 81 81 ARG H H 1 7.973 0.02 . 1 . . . . . . . . 5393 1 733 . 1 1 81 81 ARG HA H 1 3.894 0.05 . 1 . . . . . . . . 5393 1 734 . 1 1 81 81 ARG HG2 H 1 1.692 0.05 . 2 . . . . . . . . 5393 1 735 . 1 1 81 81 ARG C C 13 176.915 0.1 . 1 . . . . . . . . 5393 1 736 . 1 1 81 81 ARG CA C 13 59.247 0.1 . 1 . . . . . . . . 5393 1 737 . 1 1 81 81 ARG CB C 13 29.579 0.3 . 1 . . . . . . . . 5393 1 738 . 1 1 81 81 ARG N N 15 119.533 0.05 . 1 . . . . . . . . 5393 1 739 . 1 1 82 82 SER H H 1 8.206 0.02 . 1 . . . . . . . . 5393 1 740 . 1 1 82 82 SER HA H 1 4.478 0.05 . 1 . . . . . . . . 5393 1 741 . 1 1 82 82 SER HB2 H 1 4.140 0.05 . 2 . . . . . . . . 5393 1 742 . 1 1 82 82 SER C C 13 174.662 0.1 . 1 . . . . . . . . 5393 1 743 . 1 1 82 82 SER CA C 13 57.760 0.1 . 1 . . . . . . . . 5393 1 744 . 1 1 82 82 SER CB C 13 63.185 0.3 . 1 . . . . . . . . 5393 1 745 . 1 1 82 82 SER N N 15 111.962 0.05 . 1 . . . . . . . . 5393 1 746 . 1 1 83 83 SER H H 1 7.433 0.02 . 1 . . . . . . . . 5393 1 747 . 1 1 83 83 SER HA H 1 4.379 0.05 . 1 . . . . . . . . 5393 1 748 . 1 1 83 83 SER C C 13 177.698 0.1 . 1 . . . . . . . . 5393 1 749 . 1 1 83 83 SER CA C 13 58.363 0.1 . 1 . . . . . . . . 5393 1 750 . 1 1 83 83 SER CB C 13 64.001 0.3 . 1 . . . . . . . . 5393 1 751 . 1 1 83 83 SER N N 15 116.689 0.05 . 1 . . . . . . . . 5393 1 752 . 1 1 84 84 LYS H H 1 9.428 0.02 . 1 . . . . . . . . 5393 1 753 . 1 1 84 84 LYS HA H 1 4.281 0.05 . 1 . . . . . . . . 5393 1 754 . 1 1 84 84 LYS HB2 H 1 1.683 0.05 . 2 . . . . . . . . 5393 1 755 . 1 1 84 84 LYS HG2 H 1 1.420 0.05 . 2 . . . . . . . . 5393 1 756 . 1 1 84 84 LYS HG3 H 1 0.849 0.05 . 2 . . . . . . . . 5393 1 757 . 1 1 84 84 LYS C C 13 176.661 0.1 . 1 . . . . . . . . 5393 1 758 . 1 1 84 84 LYS CA C 13 58.177 0.1 . 1 . . . . . . . . 5393 1 759 . 1 1 84 84 LYS CB C 13 31.267 0.3 . 1 . . . . . . . . 5393 1 760 . 1 1 84 84 LYS N N 15 131.639 0.05 . 1 . . . . . . . . 5393 1 761 . 1 1 85 85 PHE H H 1 9.161 0.02 . 1 . . . . . . . . 5393 1 762 . 1 1 85 85 PHE HA H 1 4.606 0.05 . 1 . . . . . . . . 5393 1 763 . 1 1 85 85 PHE HB2 H 1 3.161 0.05 . 2 . . . . . . . . 5393 1 764 . 1 1 85 85 PHE HB3 H 1 2.408 0.05 . 2 . . . . . . . . 5393 1 765 . 1 1 85 85 PHE C C 13 175.821 0.1 . 1 . . . . . . . . 5393 1 766 . 1 1 85 85 PHE CA C 13 56.983 0.1 . 1 . . . . . . . . 5393 1 767 . 1 1 85 85 PHE CB C 13 38.056 0.3 . 1 . . . . . . . . 5393 1 768 . 1 1 85 85 PHE N N 15 119.699 0.05 . 1 . . . . . . . . 5393 1 769 . 1 1 86 86 PHE H H 1 7.691 0.02 . 1 . . . . . . . . 5393 1 770 . 1 1 86 86 PHE HA H 1 4.188 0.05 . 1 . . . . . . . . 5393 1 771 . 1 1 86 86 PHE HB2 H 1 3.133 0.05 . 2 . . . . . . . . 5393 1 772 . 1 1 86 86 PHE HB3 H 1 3.059 0.05 . 2 . . . . . . . . 5393 1 773 . 1 1 86 86 PHE C C 13 178.256 0.1 . 1 . . . . . . . . 5393 1 774 . 1 1 86 86 PHE CA C 13 63.017 0.1 . 1 . . . . . . . . 5393 1 775 . 1 1 86 86 PHE CB C 13 39.131 0.3 . 1 . . . . . . . . 5393 1 776 . 1 1 86 86 PHE N N 15 124.183 0.05 . 1 . . . . . . . . 5393 1 777 . 1 1 87 87 ASN H H 1 9.777 0.02 . 1 . . . . . . . . 5393 1 778 . 1 1 87 87 ASN HA H 1 4.593 0.05 . 1 . . . . . . . . 5393 1 779 . 1 1 87 87 ASN HB2 H 1 2.630 0.05 . 2 . . . . . . . . 5393 1 780 . 1 1 87 87 ASN HD21 H 1 7.119 0.05 . 2 . . . . . . . . 5393 1 781 . 1 1 87 87 ASN HD22 H 1 8.533 0.05 . 2 . . . . . . . . 5393 1 782 . 1 1 87 87 ASN C C 13 177.218 0.1 . 1 . . . . . . . . 5393 1 783 . 1 1 87 87 ASN CA C 13 56.867 0.1 . 1 . . . . . . . . 5393 1 784 . 1 1 87 87 ASN CB C 13 37.562 0.3 . 1 . . . . . . . . 5393 1 785 . 1 1 87 87 ASN N N 15 120.323 0.05 . 1 . . . . . . . . 5393 1 786 . 1 1 87 87 ASN ND2 N 15 115.252 0.05 . 1 . . . . . . . . 5393 1 787 . 1 1 88 88 ASN H H 1 7.489 0.02 . 1 . . . . . . . . 5393 1 788 . 1 1 88 88 ASN HA H 1 4.149 0.05 . 1 . . . . . . . . 5393 1 789 . 1 1 88 88 ASN HB2 H 1 1.936 0.05 . 2 . . . . . . . . 5393 1 790 . 1 1 88 88 ASN HB3 H 1 2.759 0.05 . 2 . . . . . . . . 5393 1 791 . 1 1 88 88 ASN C C 13 175.929 0.1 . 1 . . . . . . . . 5393 1 792 . 1 1 88 88 ASN CA C 13 57.602 0.1 . 1 . . . . . . . . 5393 1 793 . 1 1 88 88 ASN CB C 13 38.336 0.3 . 1 . . . . . . . . 5393 1 794 . 1 1 88 88 ASN N N 15 119.005 0.05 . 1 . . . . . . . . 5393 1 795 . 1 1 89 89 LEU H H 1 7.870 0.02 . 1 . . . . . . . . 5393 1 796 . 1 1 89 89 LEU HA H 1 4.993 0.05 . 1 . . . . . . . . 5393 1 797 . 1 1 89 89 LEU HB2 H 1 1.181 0.05 . 2 . . . . . . . . 5393 1 798 . 1 1 89 89 LEU HB3 H 1 1.797 0.05 . 2 . . . . . . . . 5393 1 799 . 1 1 89 89 LEU HD11 H 1 0.672 0.05 . 2 . . . . . . . . 5393 1 800 . 1 1 89 89 LEU HD12 H 1 0.672 0.05 . 2 . . . . . . . . 5393 1 801 . 1 1 89 89 LEU HD13 H 1 0.672 0.05 . 2 . . . . . . . . 5393 1 802 . 1 1 89 89 LEU HD21 H 1 1.025 0.05 . 2 . . . . . . . . 5393 1 803 . 1 1 89 89 LEU HD22 H 1 1.025 0.05 . 2 . . . . . . . . 5393 1 804 . 1 1 89 89 LEU HD23 H 1 1.025 0.05 . 2 . . . . . . . . 5393 1 805 . 1 1 89 89 LEU CA C 13 55.691 0.1 . 1 . . . . . . . . 5393 1 806 . 1 1 89 89 LEU CB C 13 42.599 0.1 . 1 . . . . . . . . 5393 1 807 . 1 1 89 89 LEU CD1 C 13 23.468 0.1 . 2 . . . . . . . . 5393 1 808 . 1 1 89 89 LEU CD2 C 13 27.979 0.1 . 2 . . . . . . . . 5393 1 809 . 1 1 89 89 LEU N N 15 116.308 0.05 . 1 . . . . . . . . 5393 1 810 . 1 1 90 90 SER C C 13 174.488 0.1 . 1 . . . . . . . . 5393 1 811 . 1 1 90 90 SER CA C 13 60.380 0.1 . 1 . . . . . . . . 5393 1 812 . 1 1 90 90 SER CB C 13 61.649 0.3 . 1 . . . . . . . . 5393 1 813 . 1 1 91 91 ALA H H 1 7.940 0.02 . 1 . . . . . . . . 5393 1 814 . 1 1 91 91 ALA HA H 1 4.256 0.05 . 1 . . . . . . . . 5393 1 815 . 1 1 91 91 ALA HB1 H 1 1.844 0.05 . 1 . . . . . . . . 5393 1 816 . 1 1 91 91 ALA HB2 H 1 1.844 0.05 . 1 . . . . . . . . 5393 1 817 . 1 1 91 91 ALA HB3 H 1 1.844 0.05 . 1 . . . . . . . . 5393 1 818 . 1 1 91 91 ALA C C 13 178.298 0.1 . 1 . . . . . . . . 5393 1 819 . 1 1 91 91 ALA CA C 13 55.876 0.1 . 1 . . . . . . . . 5393 1 820 . 1 1 91 91 ALA CB C 13 18.074 0.3 . 1 . . . . . . . . 5393 1 821 . 1 1 91 91 ALA N N 15 125.059 0.05 . 1 . . . . . . . . 5393 1 822 . 1 1 92 92 ILE H H 1 6.904 0.02 . 1 . . . . . . . . 5393 1 823 . 1 1 92 92 ILE HA H 1 3.810 0.05 . 1 . . . . . . . . 5393 1 824 . 1 1 92 92 ILE HB H 1 2.147 0.05 . 1 . . . . . . . . 5393 1 825 . 1 1 92 92 ILE HG12 H 1 1.517 0.05 . 2 . . . . . . . . 5393 1 826 . 1 1 92 92 ILE HG13 H 1 1.164 0.05 . 2 . . . . . . . . 5393 1 827 . 1 1 92 92 ILE HG21 H 1 0.879 0.05 . 1 . . . . . . . . 5393 1 828 . 1 1 92 92 ILE HG22 H 1 0.879 0.05 . 1 . . . . . . . . 5393 1 829 . 1 1 92 92 ILE HG23 H 1 0.879 0.05 . 1 . . . . . . . . 5393 1 830 . 1 1 92 92 ILE HD11 H 1 0.506 0.05 . 1 . . . . . . . . 5393 1 831 . 1 1 92 92 ILE HD12 H 1 0.506 0.05 . 1 . . . . . . . . 5393 1 832 . 1 1 92 92 ILE HD13 H 1 0.506 0.05 . 1 . . . . . . . . 5393 1 833 . 1 1 92 92 ILE C C 13 177.902 0.1 . 1 . . . . . . . . 5393 1 834 . 1 1 92 92 ILE CA C 13 62.669 0.1 . 1 . . . . . . . . 5393 1 835 . 1 1 92 92 ILE CB C 13 36.391 0.3 . 1 . . . . . . . . 5393 1 836 . 1 1 92 92 ILE CG1 C 13 26.801 0.1 . 2 . . . . . . . . 5393 1 837 . 1 1 92 92 ILE CG2 C 13 17.846 0.1 . 2 . . . . . . . . 5393 1 838 . 1 1 92 92 ILE CD1 C 13 10.728 0.1 . 1 . . . . . . . . 5393 1 839 . 1 1 92 92 ILE N N 15 113.418 0.05 . 1 . . . . . . . . 5393 1 840 . 1 1 93 93 SER H H 1 8.652 0.02 . 1 . . . . . . . . 5393 1 841 . 1 1 93 93 SER HA H 1 3.838 0.05 . 1 . . . . . . . . 5393 1 842 . 1 1 93 93 SER HB2 H 1 4.107 0.05 . 2 . . . . . . . . 5393 1 843 . 1 1 93 93 SER HB3 H 1 3.553 0.05 . 2 . . . . . . . . 5393 1 844 . 1 1 93 93 SER C C 13 177.569 0.1 . 1 . . . . . . . . 5393 1 845 . 1 1 93 93 SER CA C 13 63.732 0.1 . 1 . . . . . . . . 5393 1 846 . 1 1 93 93 SER CB C 13 62.025 0.3 . 1 . . . . . . . . 5393 1 847 . 1 1 93 93 SER N N 15 116.879 0.05 . 1 . . . . . . . . 5393 1 848 . 1 1 94 94 GLU H H 1 8.818 0.02 . 1 . . . . . . . . 5393 1 849 . 1 1 94 94 GLU HA H 1 4.422 0.05 . 2 . . . . . . . . 5393 1 850 . 1 1 94 94 GLU HB2 H 1 2.081 0.05 . 2 . . . . . . . . 5393 1 851 . 1 1 94 94 GLU HB3 H 1 2.479 0.05 . 2 . . . . . . . . 5393 1 852 . 1 1 94 94 GLU HG2 H 1 2.404 0.05 . 2 . . . . . . . . 5393 1 853 . 1 1 94 94 GLU C C 13 176.329 0.1 . 1 . . . . . . . . 5393 1 854 . 1 1 94 94 GLU CA C 13 56.995 0.1 . 1 . . . . . . . . 5393 1 855 . 1 1 94 94 GLU CB C 13 28.097 0.3 . 1 . . . . . . . . 5393 1 856 . 1 1 94 94 GLU N N 15 118.807 0.05 . 1 . . . . . . . . 5393 1 857 . 1 1 95 95 SER H H 1 7.594 0.02 . 1 . . . . . . . . 5393 1 858 . 1 1 95 95 SER HA H 1 5.167 0.05 . 1 . . . . . . . . 5393 1 859 . 1 1 95 95 SER HB2 H 1 4.374 0.05 . 2 . . . . . . . . 5393 1 860 . 1 1 95 95 SER HB3 H 1 3.981 0.05 . 2 . . . . . . . . 5393 1 861 . 1 1 95 95 SER C C 13 176.192 0.1 . 1 . . . . . . . . 5393 1 862 . 1 1 95 95 SER CA C 13 57.358 0.1 . 1 . . . . . . . . 5393 1 863 . 1 1 95 95 SER CB C 13 67.611 0.3 . 1 . . . . . . . . 5393 1 864 . 1 1 95 95 SER N N 15 110.303 0.05 . 1 . . . . . . . . 5393 1 865 . 1 1 96 96 ILE H H 1 7.422 0.02 . 1 . . . . . . . . 5393 1 866 . 1 1 96 96 ILE HA H 1 4.526 0.05 . 1 . . . . . . . . 5393 1 867 . 1 1 96 96 ILE HB H 1 2.353 0.05 . 1 . . . . . . . . 5393 1 868 . 1 1 96 96 ILE HG12 H 1 1.471 0.05 . 2 . . . . . . . . 5393 1 869 . 1 1 96 96 ILE HG13 H 1 1.703 0.05 . 2 . . . . . . . . 5393 1 870 . 1 1 96 96 ILE HG21 H 1 1.098 0.05 . 1 . . . . . . . . 5393 1 871 . 1 1 96 96 ILE HG22 H 1 1.098 0.05 . 1 . . . . . . . . 5393 1 872 . 1 1 96 96 ILE HG23 H 1 1.098 0.05 . 1 . . . . . . . . 5393 1 873 . 1 1 96 96 ILE HD11 H 1 0.861 0.05 . 1 . . . . . . . . 5393 1 874 . 1 1 96 96 ILE HD12 H 1 0.861 0.05 . 1 . . . . . . . . 5393 1 875 . 1 1 96 96 ILE HD13 H 1 0.861 0.05 . 1 . . . . . . . . 5393 1 876 . 1 1 96 96 ILE C C 13 175.575 0.1 . 1 . . . . . . . . 5393 1 877 . 1 1 96 96 ILE CA C 13 60.151 0.1 . 1 . . . . . . . . 5393 1 878 . 1 1 96 96 ILE CB C 13 38.798 0.3 . 1 . . . . . . . . 5393 1 879 . 1 1 96 96 ILE CG2 C 13 16.389 0.1 . 2 . . . . . . . . 5393 1 880 . 1 1 96 96 ILE N N 15 126.717 0.05 . 1 . . . . . . . . 5393 1 881 . 1 1 97 97 GLY H H 1 8.903 0.02 . 1 . . . . . . . . 5393 1 882 . 1 1 97 97 GLY HA2 H 1 4.333 0.05 . 2 . . . . . . . . 5393 1 883 . 1 1 97 97 GLY HA3 H 1 4.209 0.05 . 2 . . . . . . . . 5393 1 884 . 1 1 97 97 GLY C C 13 177.606 0.1 . 1 . . . . . . . . 5393 1 885 . 1 1 97 97 GLY CA C 13 46.630 0.1 . 1 . . . . . . . . 5393 1 886 . 1 1 97 97 GLY N N 15 112.164 0.05 . 1 . . . . . . . . 5393 1 887 . 1 1 98 98 PHE H H 1 9.599 0.02 . 1 . . . . . . . . 5393 1 888 . 1 1 98 98 PHE HA H 1 4.397 0.05 . 1 . . . . . . . . 5393 1 889 . 1 1 98 98 PHE HB2 H 1 3.328 0.05 . 2 . . . . . . . . 5393 1 890 . 1 1 98 98 PHE HB3 H 1 3.428 0.05 . 2 . . . . . . . . 5393 1 891 . 1 1 98 98 PHE C C 13 176.249 0.1 . 1 . . . . . . . . 5393 1 892 . 1 1 98 98 PHE CA C 13 61.648 0.1 . 1 . . . . . . . . 5393 1 893 . 1 1 98 98 PHE CB C 13 36.434 0.3 . 1 . . . . . . . . 5393 1 894 . 1 1 98 98 PHE N N 15 126.161 0.05 . 1 . . . . . . . . 5393 1 895 . 1 1 99 99 LEU H H 1 7.071 0.02 . 1 . . . . . . . . 5393 1 896 . 1 1 99 99 LEU HA H 1 4.071 0.05 . 1 . . . . . . . . 5393 1 897 . 1 1 99 99 LEU HB2 H 1 1.398 0.05 . 2 . . . . . . . . 5393 1 898 . 1 1 99 99 LEU HB3 H 1 1.699 0.05 . 2 . . . . . . . . 5393 1 899 . 1 1 99 99 LEU HD21 H 1 0.773 0.05 . 2 . . . . . . . . 5393 1 900 . 1 1 99 99 LEU HD22 H 1 0.773 0.05 . 2 . . . . . . . . 5393 1 901 . 1 1 99 99 LEU HD23 H 1 0.773 0.05 . 2 . . . . . . . . 5393 1 902 . 1 1 99 99 LEU C C 13 178.874 0.1 . 1 . . . . . . . . 5393 1 903 . 1 1 99 99 LEU CA C 13 56.413 0.1 . 1 . . . . . . . . 5393 1 904 . 1 1 99 99 LEU CB C 13 43.234 0.3 . 1 . . . . . . . . 5393 1 905 . 1 1 99 99 LEU CD2 C 13 23.468 0.1 . 2 . . . . . . . . 5393 1 906 . 1 1 99 99 LEU N N 15 121.449 0.05 . 1 . . . . . . . . 5393 1 907 . 1 1 100 100 SER H H 1 7.885 0.02 . 1 . . . . . . . . 5393 1 908 . 1 1 100 100 SER HA H 1 4.130 0.05 . 1 . . . . . . . . 5393 1 909 . 1 1 100 100 SER HB2 H 1 4.022 0.05 . 2 . . . . . . . . 5393 1 910 . 1 1 100 100 SER HB3 H 1 4.130 0.05 . 2 . . . . . . . . 5393 1 911 . 1 1 100 100 SER C C 13 174.439 0.1 . 1 . . . . . . . . 5393 1 912 . 1 1 100 100 SER CA C 13 59.486 0.1 . 1 . . . . . . . . 5393 1 913 . 1 1 100 100 SER CB C 13 62.347 0.3 . 1 . . . . . . . . 5393 1 914 . 1 1 100 100 SER N N 15 113.382 0.05 . 1 . . . . . . . . 5393 1 915 . 1 1 101 101 TRP H H 1 8.173 0.02 . 1 . . . . . . . . 5393 1 916 . 1 1 101 101 TRP HA H 1 4.042 0.05 . 1 . . . . . . . . 5393 1 917 . 1 1 101 101 TRP HB2 H 1 3.495 0.05 . 2 . . . . . . . . 5393 1 918 . 1 1 101 101 TRP HB3 H 1 3.687 0.05 . 2 . . . . . . . . 5393 1 919 . 1 1 101 101 TRP HE1 H 1 8.953 0.05 . 1 . . . . . . . . 5393 1 920 . 1 1 101 101 TRP C C 13 176.430 0.1 . 1 . . . . . . . . 5393 1 921 . 1 1 101 101 TRP CA C 13 59.988 0.1 . 1 . . . . . . . . 5393 1 922 . 1 1 101 101 TRP CB C 13 27.775 0.3 . 1 . . . . . . . . 5393 1 923 . 1 1 101 101 TRP N N 15 122.914 0.05 . 1 . . . . . . . . 5393 1 924 . 1 1 101 101 TRP NE1 N 15 127.740 0.05 . 1 . . . . . . . . 5393 1 925 . 1 1 102 102 VAL H H 1 5.549 0.02 . 1 . . . . . . . . 5393 1 926 . 1 1 102 102 VAL HA H 1 3.072 0.05 . 1 . . . . . . . . 5393 1 927 . 1 1 102 102 VAL HB H 1 1.862 0.05 . 1 . . . . . . . . 5393 1 928 . 1 1 102 102 VAL HG11 H 1 -0.636 0.05 . 2 . . . . . . . . 5393 1 929 . 1 1 102 102 VAL HG12 H 1 -0.636 0.05 . 2 . . . . . . . . 5393 1 930 . 1 1 102 102 VAL HG13 H 1 -0.636 0.05 . 2 . . . . . . . . 5393 1 931 . 1 1 102 102 VAL HG21 H 1 0.587 0.05 . 2 . . . . . . . . 5393 1 932 . 1 1 102 102 VAL HG22 H 1 0.587 0.05 . 2 . . . . . . . . 5393 1 933 . 1 1 102 102 VAL HG23 H 1 0.587 0.05 . 2 . . . . . . . . 5393 1 934 . 1 1 102 102 VAL C C 13 175.063 0.1 . 1 . . . . . . . . 5393 1 935 . 1 1 102 102 VAL CA C 13 63.524 0.1 . 1 . . . . . . . . 5393 1 936 . 1 1 102 102 VAL CB C 13 30.289 0.3 . 1 . . . . . . . . 5393 1 937 . 1 1 102 102 VAL CG1 C 13 19.619 0.1 . 2 . . . . . . . . 5393 1 938 . 1 1 102 102 VAL CG2 C 13 16.476 0.1 . 2 . . . . . . . . 5393 1 939 . 1 1 102 102 VAL N N 15 110.547 0.05 . 1 . . . . . . . . 5393 1 940 . 1 1 103 103 VAL H H 1 7.512 0.02 . 1 . . . . . . . . 5393 1 941 . 1 1 103 103 VAL HA H 1 4.712 0.05 . 1 . . . . . . . . 5393 1 942 . 1 1 103 103 VAL HB H 1 2.574 0.05 . 1 . . . . . . . . 5393 1 943 . 1 1 103 103 VAL HG21 H 1 0.866 0.05 . 2 . . . . . . . . 5393 1 944 . 1 1 103 103 VAL HG22 H 1 0.866 0.05 . 2 . . . . . . . . 5393 1 945 . 1 1 103 103 VAL HG23 H 1 0.866 0.05 . 2 . . . . . . . . 5393 1 946 . 1 1 103 103 VAL C C 13 175.871 0.1 . 1 . . . . . . . . 5393 1 947 . 1 1 103 103 VAL CA C 13 60.527 0.1 . 1 . . . . . . . . 5393 1 948 . 1 1 103 103 VAL CB C 13 31.922 0.3 . 1 . . . . . . . . 5393 1 949 . 1 1 103 103 VAL CG2 C 13 18.870 0.1 . 2 . . . . . . . . 5393 1 950 . 1 1 103 103 VAL N N 15 111.830 0.05 . 1 . . . . . . . . 5393 1 951 . 1 1 104 104 VAL H H 1 7.467 0.02 . 1 . . . . . . . . 5393 1 952 . 1 1 104 104 VAL HA H 1 4.057 0.05 . 1 . . . . . . . . 5393 1 953 . 1 1 104 104 VAL HB H 1 1.957 0.05 . 1 . . . . . . . . 5393 1 954 . 1 1 104 104 VAL HG11 H 1 0.461 0.05 . 2 . . . . . . . . 5393 1 955 . 1 1 104 104 VAL HG12 H 1 0.461 0.05 . 2 . . . . . . . . 5393 1 956 . 1 1 104 104 VAL HG13 H 1 0.461 0.05 . 2 . . . . . . . . 5393 1 957 . 1 1 104 104 VAL HG21 H 1 0.758 0.05 . 2 . . . . . . . . 5393 1 958 . 1 1 104 104 VAL HG22 H 1 0.758 0.05 . 2 . . . . . . . . 5393 1 959 . 1 1 104 104 VAL HG23 H 1 0.758 0.05 . 2 . . . . . . . . 5393 1 960 . 1 1 104 104 VAL C C 13 175.254 0.1 . 1 . . . . . . . . 5393 1 961 . 1 1 104 104 VAL CA C 13 63.259 0.1 . 1 . . . . . . . . 5393 1 962 . 1 1 104 104 VAL CB C 13 32.545 0.3 . 1 . . . . . . . . 5393 1 963 . 1 1 104 104 VAL CG1 C 13 20.543 0.1 . 2 . . . . . . . . 5393 1 964 . 1 1 104 104 VAL CG2 C 13 21.910 0.1 . 2 . . . . . . . . 5393 1 965 . 1 1 104 104 VAL N N 15 125.832 0.05 . 1 . . . . . . . . 5393 1 966 . 1 1 105 105 GLU H H 1 8.293 0.02 . 1 . . . . . . . . 5393 1 967 . 1 1 105 105 GLU CA C 13 53.206 0.1 . 1 . . . . . . . . 5393 1 968 . 1 1 105 105 GLU N N 15 126.035 0.05 . 1 . . . . . . . . 5393 1 969 . 1 1 106 106 PRO HA H 1 4.588 0.05 . 1 . . . . . . . . 5393 1 970 . 1 1 106 106 PRO HB2 H 1 2.104 0.05 . 2 . . . . . . . . 5393 1 971 . 1 1 106 106 PRO HB3 H 1 2.486 0.05 . 2 . . . . . . . . 5393 1 972 . 1 1 106 106 PRO C C 13 175.702 0.1 . 1 . . . . . . . . 5393 1 973 . 1 1 106 106 PRO CA C 13 64.175 0.1 . 1 . . . . . . . . 5393 1 974 . 1 1 106 106 PRO CB C 13 32.620 0.3 . 1 . . . . . . . . 5393 1 975 . 1 1 107 107 THR H H 1 7.267 0.02 . 1 . . . . . . . . 5393 1 976 . 1 1 107 107 THR HA H 1 5.028 0.05 . 1 . . . . . . . . 5393 1 977 . 1 1 107 107 THR HB H 1 4.514 0.05 . 1 . . . . . . . . 5393 1 978 . 1 1 107 107 THR HG21 H 1 1.163 0.05 . 1 . . . . . . . . 5393 1 979 . 1 1 107 107 THR HG22 H 1 1.163 0.05 . 1 . . . . . . . . 5393 1 980 . 1 1 107 107 THR HG23 H 1 1.163 0.05 . 1 . . . . . . . . 5393 1 981 . 1 1 107 107 THR CA C 13 58.659 0.1 . 1 . . . . . . . . 5393 1 982 . 1 1 107 107 THR CB C 13 67.858 0.1 . 1 . . . . . . . . 5393 1 983 . 1 1 107 107 THR CG2 C 13 21.344 0.1 . 1 . . . . . . . . 5393 1 984 . 1 1 107 107 THR N N 15 107.264 0.05 . 1 . . . . . . . . 5393 1 985 . 1 1 108 108 PRO C C 13 177.508 0.1 . 1 . . . . . . . . 5393 1 986 . 1 1 108 108 PRO CA C 13 65.925 0.1 . 1 . . . . . . . . 5393 1 987 . 1 1 108 108 PRO CB C 13 31.890 0.3 . 1 . . . . . . . . 5393 1 988 . 1 1 109 109 GLY H H 1 9.056 0.02 . 1 . . . . . . . . 5393 1 989 . 1 1 109 109 GLY HA2 H 1 3.884 0.05 . 2 . . . . . . . . 5393 1 990 . 1 1 109 109 GLY HA3 H 1 3.691 0.05 . 2 . . . . . . . . 5393 1 991 . 1 1 109 109 GLY CA C 13 48.547 0.1 . 1 . . . . . . . . 5393 1 992 . 1 1 109 109 GLY N N 15 109.064 0.05 . 1 . . . . . . . . 5393 1 993 . 1 1 110 110 PRO C C 13 174.425 0.1 . 1 . . . . . . . . 5393 1 994 . 1 1 110 110 PRO CA C 13 64.937 0.1 . 1 . . . . . . . . 5393 1 995 . 1 1 111 111 HIS H H 1 7.503 0.02 . 1 . . . . . . . . 5393 1 996 . 1 1 111 111 HIS C C 13 177.050 0.1 . 1 . . . . . . . . 5393 1 997 . 1 1 111 111 HIS CA C 13 60.755 0.1 . 1 . . . . . . . . 5393 1 998 . 1 1 111 111 HIS CB C 13 30.966 0.3 . 1 . . . . . . . . 5393 1 999 . 1 1 111 111 HIS N N 15 117.987 0.05 . 1 . . . . . . . . 5393 1 1000 . 1 1 112 112 VAL H H 1 7.726 0.02 . 1 . . . . . . . . 5393 1 1001 . 1 1 112 112 VAL HA H 1 3.389 0.05 . 1 . . . . . . . . 5393 1 1002 . 1 1 112 112 VAL HB H 1 2.267 0.05 . 1 . . . . . . . . 5393 1 1003 . 1 1 112 112 VAL HG11 H 1 0.936 0.05 . 2 . . . . . . . . 5393 1 1004 . 1 1 112 112 VAL HG12 H 1 0.936 0.05 . 2 . . . . . . . . 5393 1 1005 . 1 1 112 112 VAL HG13 H 1 0.936 0.05 . 2 . . . . . . . . 5393 1 1006 . 1 1 112 112 VAL HG21 H 1 1.351 0.05 . 2 . . . . . . . . 5393 1 1007 . 1 1 112 112 VAL HG22 H 1 1.351 0.05 . 2 . . . . . . . . 5393 1 1008 . 1 1 112 112 VAL HG23 H 1 1.351 0.05 . 2 . . . . . . . . 5393 1 1009 . 1 1 112 112 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 5393 1 1010 . 1 1 112 112 VAL CA C 13 68.371 0.1 . 1 . . . . . . . . 5393 1 1011 . 1 1 112 112 VAL CB C 13 31.073 0.3 . 1 . . . . . . . . 5393 1 1012 . 1 1 112 112 VAL CG1 C 13 22.595 0.1 . 2 . . . . . . . . 5393 1 1013 . 1 1 112 112 VAL CG2 C 13 25.054 0.1 . 2 . . . . . . . . 5393 1 1014 . 1 1 112 112 VAL N N 15 120.181 0.05 . 1 . . . . . . . . 5393 1 1015 . 1 1 113 113 ALA H H 1 8.038 0.02 . 1 . . . . . . . . 5393 1 1016 . 1 1 113 113 ALA HA H 1 3.998 0.05 . 1 . . . . . . . . 5393 1 1017 . 1 1 113 113 ALA HB1 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1018 . 1 1 113 113 ALA HB2 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1019 . 1 1 113 113 ALA HB3 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1020 . 1 1 113 113 ALA C C 13 180.1 0.1 . 1 . . . . . . . . 5393 1 1021 . 1 1 113 113 ALA CA C 13 55.671 0.1 . 1 . . . . . . . . 5393 1 1022 . 1 1 113 113 ALA CB C 13 17.816 0.3 . 1 . . . . . . . . 5393 1 1023 . 1 1 113 113 ALA N N 15 123.629 0.05 . 1 . . . . . . . . 5393 1 1024 . 1 1 114 114 GLU H H 1 8.312 0.02 . 1 . . . . . . . . 5393 1 1025 . 1 1 114 114 GLU HA H 1 4.081 0.05 . 1 . . . . . . . . 5393 1 1026 . 1 1 114 114 GLU HB2 H 1 2.245 0.05 . 2 . . . . . . . . 5393 1 1027 . 1 1 114 114 GLU HB3 H 1 2.398 0.05 . 2 . . . . . . . . 5393 1 1028 . 1 1 114 114 GLU C C 13 179.421 0.1 . 1 . . . . . . . . 5393 1 1029 . 1 1 114 114 GLU CA C 13 59.267 0.1 . 1 . . . . . . . . 5393 1 1030 . 1 1 114 114 GLU CB C 13 29.011 0.3 . 1 . . . . . . . . 5393 1 1031 . 1 1 114 114 GLU N N 15 122.183 0.05 . 1 . . . . . . . . 5393 1 1032 . 1 1 115 115 MET H H 1 7.811 0.02 . 1 . . . . . . . . 5393 1 1033 . 1 1 115 115 MET HA H 1 4.598 0.05 . 1 . . . . . . . . 5393 1 1034 . 1 1 115 115 MET HB3 H 1 2.399 0.05 . 2 . . . . . . . . 5393 1 1035 . 1 1 115 115 MET C C 13 178.461 0.1 . 1 . . . . . . . . 5393 1 1036 . 1 1 115 115 MET CA C 13 56.863 0.1 . 1 . . . . . . . . 5393 1 1037 . 1 1 115 115 MET CB C 13 32.889 0.3 . 1 . . . . . . . . 5393 1 1038 . 1 1 115 115 MET N N 15 121.498 0.05 . 1 . . . . . . . . 5393 1 1039 . 1 1 116 116 ARG H H 1 8.967 0.02 . 1 . . . . . . . . 5393 1 1040 . 1 1 116 116 ARG HA H 1 3.893 0.05 . 1 . . . . . . . . 5393 1 1041 . 1 1 116 116 ARG C C 13 177.857 0.1 . 1 . . . . . . . . 5393 1 1042 . 1 1 116 116 ARG CA C 13 59.662 0.1 . 1 . . . . . . . . 5393 1 1043 . 1 1 116 116 ARG CB C 13 28.753 0.3 . 1 . . . . . . . . 5393 1 1044 . 1 1 116 116 ARG N N 15 122.638 0.05 . 1 . . . . . . . . 5393 1 1045 . 1 1 117 117 GLY H H 1 8.043 0.02 . 1 . . . . . . . . 5393 1 1046 . 1 1 117 117 GLY HA2 H 1 4.049 0.05 . 2 . . . . . . . . 5393 1 1047 . 1 1 117 117 GLY C C 13 176.981 0.1 . 1 . . . . . . . . 5393 1 1048 . 1 1 117 117 GLY CA C 13 47.410 0.1 . 1 . . . . . . . . 5393 1 1049 . 1 1 117 117 GLY N N 15 108.279 0.05 . 1 . . . . . . . . 5393 1 1050 . 1 1 118 118 SER H H 1 7.828 0.02 . 1 . . . . . . . . 5393 1 1051 . 1 1 118 118 SER HA H 1 4.499 0.05 . 1 . . . . . . . . 5393 1 1052 . 1 1 118 118 SER HB2 H 1 4.299 0.05 . 2 . . . . . . . . 5393 1 1053 . 1 1 118 118 SER HB3 H 1 4.090 0.05 . 2 . . . . . . . . 5393 1 1054 . 1 1 118 118 SER C C 13 176.975 0.1 . 1 . . . . . . . . 5393 1 1055 . 1 1 118 118 SER CA C 13 62.226 0.1 . 1 . . . . . . . . 5393 1 1056 . 1 1 118 118 SER CB C 13 63.464 0.3 . 1 . . . . . . . . 5393 1 1057 . 1 1 118 118 SER N N 15 119.707 0.05 . 1 . . . . . . . . 5393 1 1058 . 1 1 119 119 ALA H H 1 8.059 0.02 . 1 . . . . . . . . 5393 1 1059 . 1 1 119 119 ALA HA H 1 4.677 0.05 . 2 . . . . . . . . 5393 1 1060 . 1 1 119 119 ALA HB1 H 1 1.847 0.05 . 1 . . . . . . . . 5393 1 1061 . 1 1 119 119 ALA HB2 H 1 1.847 0.05 . 1 . . . . . . . . 5393 1 1062 . 1 1 119 119 ALA HB3 H 1 1.847 0.05 . 1 . . . . . . . . 5393 1 1063 . 1 1 119 119 ALA C C 13 180.071 0.1 . 1 . . . . . . . . 5393 1 1064 . 1 1 119 119 ALA CA C 13 55.562 0.1 . 1 . . . . . . . . 5393 1 1065 . 1 1 119 119 ALA CB C 13 18.214 0.3 . 1 . . . . . . . . 5393 1 1066 . 1 1 119 119 ALA N N 15 123.232 0.05 . 1 . . . . . . . . 5393 1 1067 . 1 1 120 120 GLU H H 1 8.740 0.02 . 1 . . . . . . . . 5393 1 1068 . 1 1 120 120 GLU HA H 1 5.453 0.05 . 1 . . . . . . . . 5393 1 1069 . 1 1 120 120 GLU HB2 H 1 2.028 0.05 . 2 . . . . . . . . 5393 1 1070 . 1 1 120 120 GLU HG2 H 1 2.582 0.05 . 2 . . . . . . . . 5393 1 1071 . 1 1 120 120 GLU HG3 H 1 2.226 0.05 . 2 . . . . . . . . 5393 1 1072 . 1 1 120 120 GLU C C 13 178.166 0.1 . 1 . . . . . . . . 5393 1 1073 . 1 1 120 120 GLU CA C 13 57.530 0.1 . 1 . . . . . . . . 5393 1 1074 . 1 1 120 120 GLU CB C 13 29.451 0.3 . 1 . . . . . . . . 5393 1 1075 . 1 1 120 120 GLU CG C 13 38.020 0.1 . 1 . . . . . . . . 5393 1 1076 . 1 1 120 120 GLU N N 15 119.193 0.05 . 1 . . . . . . . . 5393 1 1077 . 1 1 121 121 PHE H H 1 7.498 0.02 . 1 . . . . . . . . 5393 1 1078 . 1 1 121 121 PHE HA H 1 4.126 0.05 . 1 . . . . . . . . 5393 1 1079 . 1 1 121 121 PHE HB2 H 1 3.249 0.05 . 2 . . . . . . . . 5393 1 1080 . 1 1 121 121 PHE HB3 H 1 2.936 0.05 . 2 . . . . . . . . 5393 1 1081 . 1 1 121 121 PHE HE1 H 1 6.485 0.05 . 3 . . . . . . . . 5393 1 1082 . 1 1 121 121 PHE C C 13 177.255 0.1 . 1 . . . . . . . . 5393 1 1083 . 1 1 121 121 PHE CA C 13 61.791 0.1 . 1 . . . . . . . . 5393 1 1084 . 1 1 121 121 PHE CB C 13 39.356 0.3 . 1 . . . . . . . . 5393 1 1085 . 1 1 121 121 PHE N N 15 120.925 0.05 . 1 . . . . . . . . 5393 1 1086 . 1 1 122 122 TYR H H 1 7.413 0.02 . 1 . . . . . . . . 5393 1 1087 . 1 1 122 122 TYR HA H 1 4.188 0.05 . 1 . . . . . . . . 5393 1 1088 . 1 1 122 122 TYR HB2 H 1 3.495 0.05 . 2 . . . . . . . . 5393 1 1089 . 1 1 122 122 TYR HB3 H 1 2.948 0.05 . 2 . . . . . . . . 5393 1 1090 . 1 1 122 122 TYR C C 13 178.898 0.1 . 1 . . . . . . . . 5393 1 1091 . 1 1 122 122 TYR CA C 13 61.970 0.1 . 1 . . . . . . . . 5393 1 1092 . 1 1 122 122 TYR CB C 13 39.915 0.3 . 1 . . . . . . . . 5393 1 1093 . 1 1 122 122 TYR N N 15 114.936 0.05 . 1 . . . . . . . . 5393 1 1094 . 1 1 123 123 THR H H 1 9.730 0.02 . 1 . . . . . . . . 5393 1 1095 . 1 1 123 123 THR HA H 1 4.210 0.05 . 1 . . . . . . . . 5393 1 1096 . 1 1 123 123 THR HB H 1 4.732 0.05 . 1 . . . . . . . . 5393 1 1097 . 1 1 123 123 THR HG21 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1098 . 1 1 123 123 THR HG22 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1099 . 1 1 123 123 THR HG23 H 1 1.470 0.05 . 1 . . . . . . . . 5393 1 1100 . 1 1 123 123 THR C C 13 177.902 0.1 . 1 . . . . . . . . 5393 1 1101 . 1 1 123 123 THR CA C 13 66.916 0.1 . 1 . . . . . . . . 5393 1 1102 . 1 1 123 123 THR CB C 13 66.480 0.1 . 1 . . . . . . . . 5393 1 1103 . 1 1 123 123 THR CG2 C 13 22.595 0.1 . 1 . . . . . . . . 5393 1 1104 . 1 1 123 123 THR N N 15 115.420 0.05 . 1 . . . . . . . . 5393 1 1105 . 1 1 124 124 ASN H H 1 9.013 0.02 . 1 . . . . . . . . 5393 1 1106 . 1 1 124 124 ASN HA H 1 4.644 0.05 . 1 . . . . . . . . 5393 1 1107 . 1 1 124 124 ASN HB2 H 1 2.711 0.05 . 2 . . . . . . . . 5393 1 1108 . 1 1 124 124 ASN HB3 H 1 2.955 0.05 . 2 . . . . . . . . 5393 1 1109 . 1 1 124 124 ASN HD21 H 1 7.161 0.05 . 2 . . . . . . . . 5393 1 1110 . 1 1 124 124 ASN HD22 H 1 7.476 0.05 . 2 . . . . . . . . 5393 1 1111 . 1 1 124 124 ASN C C 13 178.456 0.1 . 1 . . . . . . . . 5393 1 1112 . 1 1 124 124 ASN CA C 13 56.135 0.1 . 1 . . . . . . . . 5393 1 1113 . 1 1 124 124 ASN CB C 13 37.401 0.3 . 1 . . . . . . . . 5393 1 1114 . 1 1 124 124 ASN N N 15 121.920 0.05 . 1 . . . . . . . . 5393 1 1115 . 1 1 124 124 ASN ND2 N 15 113.801 0.05 . 1 . . . . . . . . 5393 1 1116 . 1 1 125 125 ARG H H 1 6.904 0.02 . 1 . . . . . . . . 5393 1 1117 . 1 1 125 125 ARG HA H 1 4.020 0.05 . 1 . . . . . . . . 5393 1 1118 . 1 1 125 125 ARG HB2 H 1 1.961 0.05 . 2 . . . . . . . . 5393 1 1119 . 1 1 125 125 ARG HB3 H 1 2.149 0.05 . 2 . . . . . . . . 5393 1 1120 . 1 1 125 125 ARG HG2 H 1 1.537 0.05 . 2 . . . . . . . . 5393 1 1121 . 1 1 125 125 ARG HG3 H 1 1.753 0.05 . 2 . . . . . . . . 5393 1 1122 . 1 1 125 125 ARG C C 13 178.409 0.1 . 1 . . . . . . . . 5393 1 1123 . 1 1 125 125 ARG CA C 13 59.574 0.1 . 1 . . . . . . . . 5393 1 1124 . 1 1 125 125 ARG CB C 13 30.3 0.3 . 1 . . . . . . . . 5393 1 1125 . 1 1 125 125 ARG N N 15 120.64 0.05 . 1 . . . . . . . . 5393 1 1126 . 1 1 126 126 ILE H H 1 7.644 0.02 . 1 . . . . . . . . 5393 1 1127 . 1 1 126 126 ILE HA H 1 4.282 0.05 . 1 . . . . . . . . 5393 1 1128 . 1 1 126 126 ILE HB H 1 2.244 0.05 . 1 . . . . . . . . 5393 1 1129 . 1 1 126 126 ILE HG21 H 1 1.093 0.05 . 1 . . . . . . . . 5393 1 1130 . 1 1 126 126 ILE HG22 H 1 1.093 0.05 . 1 . . . . . . . . 5393 1 1131 . 1 1 126 126 ILE HG23 H 1 1.093 0.05 . 1 . . . . . . . . 5393 1 1132 . 1 1 126 126 ILE HD11 H 1 0.828 0.05 . 1 . . . . . . . . 5393 1 1133 . 1 1 126 126 ILE HD12 H 1 0.828 0.05 . 1 . . . . . . . . 5393 1 1134 . 1 1 126 126 ILE HD13 H 1 0.828 0.05 . 1 . . . . . . . . 5393 1 1135 . 1 1 126 126 ILE C C 13 178.20 0.1 . 1 . . . . . . . . 5393 1 1136 . 1 1 126 126 ILE CA C 13 65.083 0.1 . 1 . . . . . . . . 5393 1 1137 . 1 1 126 126 ILE CB C 13 38.679 0.3 . 1 . . . . . . . . 5393 1 1138 . 1 1 126 126 ILE CG2 C 13 19.139 0.1 . 2 . . . . . . . . 5393 1 1139 . 1 1 126 126 ILE N N 15 123.198 0.05 . 1 . . . . . . . . 5393 1 1140 . 1 1 127 127 LEU H H 1 8.490 0.02 . 1 . . . . . . . . 5393 1 1141 . 1 1 127 127 LEU HA H 1 3.777 0.05 . 1 . . . . . . . . 5393 1 1142 . 1 1 127 127 LEU HB2 H 1 2.291 0.05 . 2 . . . . . . . . 5393 1 1143 . 1 1 127 127 LEU C C 13 178.717 0.1 . 1 . . . . . . . . 5393 1 1144 . 1 1 127 127 LEU CA C 13 58.124 0.1 . 1 . . . . . . . . 5393 1 1145 . 1 1 127 127 LEU CB C 13 41.666 0.3 . 1 . . . . . . . . 5393 1 1146 . 1 1 127 127 LEU N N 15 119.405 0.05 . 1 . . . . . . . . 5393 1 1147 . 1 1 128 128 LYS H H 1 7.712 0.02 . 1 . . . . . . . . 5393 1 1148 . 1 1 128 128 LYS HA H 1 4.010 0.05 . 1 . . . . . . . . 5393 1 1149 . 1 1 128 128 LYS HB2 H 1 1.944 0.05 . 2 . . . . . . . . 5393 1 1150 . 1 1 128 128 LYS HG2 H 1 1.539 0.05 . 2 . . . . . . . . 5393 1 1151 . 1 1 128 128 LYS HE2 H 1 3.013 0.05 . 2 . . . . . . . . 5393 1 1152 . 1 1 128 128 LYS C C 13 177.910 0.1 . 1 . . . . . . . . 5393 1 1153 . 1 1 128 128 LYS CA C 13 59.165 0.1 . 1 . . . . . . . . 5393 1 1154 . 1 1 128 128 LYS CB C 13 32.223 0.3 . 1 . . . . . . . . 5393 1 1155 . 1 1 128 128 LYS N N 15 119.161 0.05 . 1 . . . . . . . . 5393 1 1156 . 1 1 129 129 GLU H H 1 7.533 0.02 . 1 . . . . . . . . 5393 1 1157 . 1 1 129 129 GLU HA H 1 3.892 0.05 . 1 . . . . . . . . 5393 1 1158 . 1 1 129 129 GLU HB2 H 1 1.515 0.05 . 2 . . . . . . . . 5393 1 1159 . 1 1 129 129 GLU HB3 H 1 1.773 0.05 . 2 . . . . . . . . 5393 1 1160 . 1 1 129 129 GLU C C 13 177.864 0.1 . 1 . . . . . . . . 5393 1 1161 . 1 1 129 129 GLU CA C 13 58.673 0.1 . 1 . . . . . . . . 5393 1 1162 . 1 1 129 129 GLU CB C 13 30.332 0.3 . 1 . . . . . . . . 5393 1 1163 . 1 1 129 129 GLU N N 15 118.213 0.05 . 1 . . . . . . . . 5393 1 1164 . 1 1 130 130 PHE H H 1 8.368 0.02 . 1 . . . . . . . . 5393 1 1165 . 1 1 130 130 PHE HA H 1 4.894 0.05 . 1 . . . . . . . . 5393 1 1166 . 1 1 130 130 PHE HB2 H 1 2.847 0.05 . 2 . . . . . . . . 5393 1 1167 . 1 1 130 130 PHE HB3 H 1 3.621 0.05 . 2 . . . . . . . . 5393 1 1168 . 1 1 130 130 PHE C C 13 176.985 0.1 . 1 . . . . . . . . 5393 1 1169 . 1 1 130 130 PHE CA C 13 59.674 0.1 . 1 . . . . . . . . 5393 1 1170 . 1 1 130 130 PHE CB C 13 40.645 0.3 . 1 . . . . . . . . 5393 1 1171 . 1 1 130 130 PHE N N 15 112.505 0.05 . 1 . . . . . . . . 5393 1 1172 . 1 1 131 131 LYS H H 1 8.674 0.02 . 1 . . . . . . . . 5393 1 1173 . 1 1 131 131 LYS HA H 1 4.111 0.05 . 1 . . . . . . . . 5393 1 1174 . 1 1 131 131 LYS HB2 H 1 1.548 0.05 . 2 . . . . . . . . 5393 1 1175 . 1 1 131 131 LYS HB3 H 1 2.031 0.05 . 2 . . . . . . . . 5393 1 1176 . 1 1 131 131 LYS C C 13 177.421 0.1 . 1 . . . . . . . . 5393 1 1177 . 1 1 131 131 LYS CA C 13 59.684 0.1 . 1 . . . . . . . . 5393 1 1178 . 1 1 131 131 LYS CB C 13 31.406 0.3 . 1 . . . . . . . . 5393 1 1179 . 1 1 131 131 LYS N N 15 126.084 0.05 . 1 . . . . . . . . 5393 1 1180 . 1 1 132 132 GLY H H 1 8.939 0.02 . 1 . . . . . . . . 5393 1 1181 . 1 1 132 132 GLY HA2 H 1 4.279 0.05 . 2 . . . . . . . . 5393 1 1182 . 1 1 132 132 GLY HA3 H 1 3.837 0.05 . 2 . . . . . . . . 5393 1 1183 . 1 1 132 132 GLY C C 13 174.229 0.1 . 1 . . . . . . . . 5393 1 1184 . 1 1 132 132 GLY CA C 13 45.743 0.1 . 1 . . . . . . . . 5393 1 1185 . 1 1 132 132 GLY N N 15 116.744 0.05 . 1 . . . . . . . . 5393 1 1186 . 1 1 133 133 VAL H H 1 8.179 0.02 . 1 . . . . . . . . 5393 1 1187 . 1 1 133 133 VAL HA H 1 4.377 0.05 . 1 . . . . . . . . 5393 1 1188 . 1 1 133 133 VAL HB H 1 2.122 0.05 . 1 . . . . . . . . 5393 1 1189 . 1 1 133 133 VAL HG11 H 1 1.000 0.05 . 2 . . . . . . . . 5393 1 1190 . 1 1 133 133 VAL HG12 H 1 1.000 0.05 . 2 . . . . . . . . 5393 1 1191 . 1 1 133 133 VAL HG13 H 1 1.000 0.05 . 2 . . . . . . . . 5393 1 1192 . 1 1 133 133 VAL HG21 H 1 1.189 0.05 . 2 . . . . . . . . 5393 1 1193 . 1 1 133 133 VAL HG22 H 1 1.189 0.05 . 2 . . . . . . . . 5393 1 1194 . 1 1 133 133 VAL HG23 H 1 1.189 0.05 . 2 . . . . . . . . 5393 1 1195 . 1 1 133 133 VAL C C 13 175.801 0.1 . 1 . . . . . . . . 5393 1 1196 . 1 1 133 133 VAL CA C 13 63.638 0.1 . 1 . . . . . . . . 5393 1 1197 . 1 1 133 133 VAL CB C 13 35.220 0.3 . 1 . . . . . . . . 5393 1 1198 . 1 1 133 133 VAL N N 15 119.830 0.05 . 1 . . . . . . . . 5393 1 1199 . 1 1 134 134 ASN H H 1 8.543 0.02 . 1 . . . . . . . . 5393 1 1200 . 1 1 134 134 ASN HA H 1 5.065 0.05 . 1 . . . . . . . . 5393 1 1201 . 1 1 134 134 ASN HB3 H 1 2.932 0.05 . 2 . . . . . . . . 5393 1 1202 . 1 1 134 134 ASN C C 13 174.745 0.1 . 1 . . . . . . . . 5393 1 1203 . 1 1 134 134 ASN CA C 13 52.457 0.1 . 1 . . . . . . . . 5393 1 1204 . 1 1 134 134 ASN CB C 13 40.388 0.3 . 1 . . . . . . . . 5393 1 1205 . 1 1 134 134 ASN N N 15 118.614 0.05 . 1 . . . . . . . . 5393 1 1206 . 1 1 135 135 GLN H H 1 9.018 0.02 . 1 . . . . . . . . 5393 1 1207 . 1 1 135 135 GLN HA H 1 3.930 0.05 . 1 . . . . . . . . 5393 1 1208 . 1 1 135 135 GLN HB2 H 1 2.291 0.05 . 2 . . . . . . . . 5393 1 1209 . 1 1 135 135 GLN HB3 H 1 2.747 0.05 . 2 . . . . . . . . 5393 1 1210 . 1 1 135 135 GLN C C 13 176.762 0.1 . 1 . . . . . . . . 5393 1 1211 . 1 1 135 135 GLN CA C 13 57.330 0.1 . 1 . . . . . . . . 5393 1 1212 . 1 1 135 135 GLN CB C 13 28.463 0.3 . 1 . . . . . . . . 5393 1 1213 . 1 1 135 135 GLN N N 15 127.879 0.05 . 1 . . . . . . . . 5393 1 1214 . 1 1 136 136 ASP H H 1 7.984 0.02 . 1 . . . . . . . . 5393 1 1215 . 1 1 136 136 ASP HA H 1 4.383 0.05 . 1 . . . . . . . . 5393 1 1216 . 1 1 136 136 ASP HB2 H 1 2.425 0.05 . 2 . . . . . . . . 5393 1 1217 . 1 1 136 136 ASP HB3 H 1 2.945 0.05 . 2 . . . . . . . . 5393 1 1218 . 1 1 136 136 ASP C C 13 178.318 0.1 . 1 . . . . . . . . 5393 1 1219 . 1 1 136 136 ASP CA C 13 57.848 0.1 . 1 . . . . . . . . 5393 1 1220 . 1 1 136 136 ASP CB C 13 39.593 0.3 . 1 . . . . . . . . 5393 1 1221 . 1 1 136 136 ASP N N 15 119.727 0.05 . 1 . . . . . . . . 5393 1 1222 . 1 1 137 137 GLN H H 1 7.201 0.02 . 1 . . . . . . . . 5393 1 1223 . 1 1 137 137 GLN HA H 1 4.367 0.05 . 1 . . . . . . . . 5393 1 1224 . 1 1 137 137 GLN HB2 H 1 1.844 0.05 . 2 . . . . . . . . 5393 1 1225 . 1 1 137 137 GLN HB3 H 1 1.674 0.05 . 2 . . . . . . . . 5393 1 1226 . 1 1 137 137 GLN HE21 H 1 6.073 0.05 . 2 . . . . . . . . 5393 1 1227 . 1 1 137 137 GLN C C 13 177.606 0.1 . 1 . . . . . . . . 5393 1 1228 . 1 1 137 137 GLN CA C 13 59.004 0.1 . 1 . . . . . . . . 5393 1 1229 . 1 1 137 137 GLN CB C 13 28.688 0.3 . 1 . . . . . . . . 5393 1 1230 . 1 1 137 137 GLN N N 15 117.279 0.05 . 1 . . . . . . . . 5393 1 1231 . 1 1 137 137 GLN NE2 N 15 106.538 0.05 . 1 . . . . . . . . 5393 1 1232 . 1 1 138 138 VAL H H 1 6.907 0.02 . 1 . . . . . . . . 5393 1 1233 . 1 1 138 138 VAL HA H 1 3.565 0.05 . 1 . . . . . . . . 5393 1 1234 . 1 1 138 138 VAL HB H 1 2.301 0.05 . 1 . . . . . . . . 5393 1 1235 . 1 1 138 138 VAL HG11 H 1 1.096 0.05 . 2 . . . . . . . . 5393 1 1236 . 1 1 138 138 VAL HG12 H 1 1.096 0.05 . 2 . . . . . . . . 5393 1 1237 . 1 1 138 138 VAL HG13 H 1 1.096 0.05 . 2 . . . . . . . . 5393 1 1238 . 1 1 138 138 VAL HG21 H 1 1.163 0.05 . 2 . . . . . . . . 5393 1 1239 . 1 1 138 138 VAL HG22 H 1 1.163 0.05 . 2 . . . . . . . . 5393 1 1240 . 1 1 138 138 VAL HG23 H 1 1.163 0.05 . 2 . . . . . . . . 5393 1 1241 . 1 1 138 138 VAL C C 13 178.261 0.1 . 1 . . . . . . . . 5393 1 1242 . 1 1 138 138 VAL CA C 13 66.636 0.1 . 1 . . . . . . . . 5393 1 1243 . 1 1 138 138 VAL CB C 13 31.481 0.3 . 1 . . . . . . . . 5393 1 1244 . 1 1 138 138 VAL N N 15 119.102 0.05 . 1 . . . . . . . . 5393 1 1245 . 1 1 139 139 ASP H H 1 8.888 0.02 . 1 . . . . . . . . 5393 1 1246 . 1 1 139 139 ASP HA H 1 4.490 0.05 . 1 . . . . . . . . 5393 1 1247 . 1 1 139 139 ASP HB2 H 1 2.755 0.05 . 2 . . . . . . . . 5393 1 1248 . 1 1 139 139 ASP HB3 H 1 2.916 0.05 . 2 . . . . . . . . 5393 1 1249 . 1 1 139 139 ASP C C 13 177.704 0.1 . 1 . . . . . . . . 5393 1 1250 . 1 1 139 139 ASP CA C 13 57.321 0.1 . 1 . . . . . . . . 5393 1 1251 . 1 1 139 139 ASP CB C 13 40.345 0.3 . 1 . . . . . . . . 5393 1 1252 . 1 1 139 139 ASP N N 15 122.560 0.05 . 1 . . . . . . . . 5393 1 1253 . 1 1 140 140 TRP H H 1 8.574 0.02 . 1 . . . . . . . . 5393 1 1254 . 1 1 140 140 TRP HA H 1 4.093 0.05 . 1 . . . . . . . . 5393 1 1255 . 1 1 140 140 TRP HB2 H 1 3.906 0.05 . 2 . . . . . . . . 5393 1 1256 . 1 1 140 140 TRP HB3 H 1 3.417 0.05 . 2 . . . . . . . . 5393 1 1257 . 1 1 140 140 TRP HE1 H 1 9.107 0.05 . 1 . . . . . . . . 5393 1 1258 . 1 1 140 140 TRP C C 13 177.147 0.1 . 1 . . . . . . . . 5393 1 1259 . 1 1 140 140 TRP CA C 13 63.988 0.1 . 1 . . . . . . . . 5393 1 1260 . 1 1 140 140 TRP CB C 13 29.344 0.3 . 1 . . . . . . . . 5393 1 1261 . 1 1 140 140 TRP N N 15 125.972 0.05 . 1 . . . . . . . . 5393 1 1262 . 1 1 140 140 TRP NE1 N 15 132.523 0.05 . 1 . . . . . . . . 5393 1 1263 . 1 1 141 141 VAL H H 1 8.220 0.02 . 1 . . . . . . . . 5393 1 1264 . 1 1 141 141 VAL HA H 1 3.571 0.05 . 1 . . . . . . . . 5393 1 1265 . 1 1 141 141 VAL HB H 1 2.673 0.05 . 1 . . . . . . . . 5393 1 1266 . 1 1 141 141 VAL HG11 H 1 1.191 0.05 . 2 . . . . . . . . 5393 1 1267 . 1 1 141 141 VAL HG12 H 1 1.191 0.05 . 2 . . . . . . . . 5393 1 1268 . 1 1 141 141 VAL HG13 H 1 1.191 0.05 . 2 . . . . . . . . 5393 1 1269 . 1 1 141 141 VAL HG21 H 1 1.634 0.05 . 2 . . . . . . . . 5393 1 1270 . 1 1 141 141 VAL HG22 H 1 1.634 0.05 . 2 . . . . . . . . 5393 1 1271 . 1 1 141 141 VAL HG23 H 1 1.634 0.05 . 2 . . . . . . . . 5393 1 1272 . 1 1 141 141 VAL C C 13 177.209 0.1 . 1 . . . . . . . . 5393 1 1273 . 1 1 141 141 VAL CA C 13 67.780 0.1 . 1 . . . . . . . . 5393 1 1274 . 1 1 141 141 VAL CB C 13 32.072 0.3 . 1 . . . . . . . . 5393 1 1275 . 1 1 141 141 VAL CG1 C 13 22.595 0.1 . 2 . . . . . . . . 5393 1 1276 . 1 1 141 141 VAL CG2 C 13 24.293 0.1 . 2 . . . . . . . . 5393 1 1277 . 1 1 141 141 VAL N N 15 117.702 0.05 . 1 . . . . . . . . 5393 1 1278 . 1 1 142 142 SER H H 1 8.313 0.02 . 1 . . . . . . . . 5393 1 1279 . 1 1 142 142 SER HA H 1 4.098 0.05 . 1 . . . . . . . . 5393 1 1280 . 1 1 142 142 SER HB3 H 1 4.001 0.05 . 2 . . . . . . . . 5393 1 1281 . 1 1 142 142 SER C C 13 177.554 0.1 . 1 . . . . . . . . 5393 1 1282 . 1 1 142 142 SER CA C 13 61.740 0.1 . 1 . . . . . . . . 5393 1 1283 . 1 1 142 142 SER CB C 13 63.421 0.3 . 1 . . . . . . . . 5393 1 1284 . 1 1 142 142 SER N N 15 113.762 0.05 . 1 . . . . . . . . 5393 1 1285 . 1 1 143 143 ASN H H 1 8.157 0.02 . 1 . . . . . . . . 5393 1 1286 . 1 1 143 143 ASN HA H 1 4.628 0.05 . 1 . . . . . . . . 5393 1 1287 . 1 1 143 143 ASN HB2 H 1 2.732 0.05 . 2 . . . . . . . . 5393 1 1288 . 1 1 143 143 ASN HB3 H 1 3.145 0.05 . 2 . . . . . . . . 5393 1 1289 . 1 1 143 143 ASN C C 13 176.361 0.1 . 1 . . . . . . . . 5393 1 1290 . 1 1 143 143 ASN CA C 13 56.738 0.1 . 1 . . . . . . . . 5393 1 1291 . 1 1 143 143 ASN CB C 13 39.808 0.3 . 1 . . . . . . . . 5393 1 1292 . 1 1 143 143 ASN N N 15 118.388 0.05 . 1 . . . . . . . . 5393 1 1293 . 1 1 144 144 TYR H H 1 7.287 0.02 . 1 . . . . . . . . 5393 1 1294 . 1 1 144 144 TYR HA H 1 3.413 0.05 . 1 . . . . . . . . 5393 1 1295 . 1 1 144 144 TYR HB2 H 1 2.202 0.05 . 2 . . . . . . . . 5393 1 1296 . 1 1 144 144 TYR HB3 H 1 2.101 0.05 . 2 . . . . . . . . 5393 1 1297 . 1 1 144 144 TYR HE1 H 1 6.132 0.05 . 3 . . . . . . . . 5393 1 1298 . 1 1 144 144 TYR C C 13 176.792 0.1 . 1 . . . . . . . . 5393 1 1299 . 1 1 144 144 TYR CA C 13 61.613 0.1 . 1 . . . . . . . . 5393 1 1300 . 1 1 144 144 TYR CB C 13 38.024 0.3 . 1 . . . . . . . . 5393 1 1301 . 1 1 144 144 TYR N N 15 119.866 0.05 . 1 . . . . . . . . 5393 1 1302 . 1 1 145 145 VAL H H 1 8.417 0.02 . 1 . . . . . . . . 5393 1 1303 . 1 1 145 145 VAL HA H 1 3.084 0.05 . 1 . . . . . . . . 5393 1 1304 . 1 1 145 145 VAL HB H 1 2.034 0.05 . 1 . . . . . . . . 5393 1 1305 . 1 1 145 145 VAL HG11 H 1 0.884 0.05 . 2 . . . . . . . . 5393 1 1306 . 1 1 145 145 VAL HG12 H 1 0.884 0.05 . 2 . . . . . . . . 5393 1 1307 . 1 1 145 145 VAL HG13 H 1 0.884 0.05 . 2 . . . . . . . . 5393 1 1308 . 1 1 145 145 VAL HG21 H 1 1.092 0.05 . 2 . . . . . . . . 5393 1 1309 . 1 1 145 145 VAL HG22 H 1 1.092 0.05 . 2 . . . . . . . . 5393 1 1310 . 1 1 145 145 VAL HG23 H 1 1.092 0.05 . 2 . . . . . . . . 5393 1 1311 . 1 1 145 145 VAL C C 13 177.862 0.1 . 1 . . . . . . . . 5393 1 1312 . 1 1 145 145 VAL CA C 13 67.454 0.1 . 1 . . . . . . . . 5393 1 1313 . 1 1 145 145 VAL CB C 13 31.234 0.3 . 1 . . . . . . . . 5393 1 1314 . 1 1 145 145 VAL N N 15 117.103 0.05 . 1 . . . . . . . . 5393 1 1315 . 1 1 146 146 ASN H H 1 8.357 0.02 . 1 . . . . . . . . 5393 1 1316 . 1 1 146 146 ASN HA H 1 4.164 0.05 . 1 . . . . . . . . 5393 1 1317 . 1 1 146 146 ASN HB2 H 1 2.850 0.05 . 2 . . . . . . . . 5393 1 1318 . 1 1 146 146 ASN HB3 H 1 2.251 0.05 . 2 . . . . . . . . 5393 1 1319 . 1 1 146 146 ASN HD21 H 1 7.692 0.05 . 2 . . . . . . . . 5393 1 1320 . 1 1 146 146 ASN C C 13 177.290 0.1 . 1 . . . . . . . . 5393 1 1321 . 1 1 146 146 ASN CA C 13 55.689 0.1 . 1 . . . . . . . . 5393 1 1322 . 1 1 146 146 ASN CB C 13 37.122 0.3 . 1 . . . . . . . . 5393 1 1323 . 1 1 146 146 ASN N N 15 118.276 0.05 . 1 . . . . . . . . 5393 1 1324 . 1 1 146 146 ASN ND2 N 15 112.775 0.05 . 1 . . . . . . . . 5393 1 1325 . 1 1 147 147 PHE H H 1 7.429 0.02 . 1 . . . . . . . . 5393 1 1326 . 1 1 147 147 PHE HA H 1 3.485 0.05 . 1 . . . . . . . . 5393 1 1327 . 1 1 147 147 PHE HB2 H 1 2.779 0.05 . 2 . . . . . . . . 5393 1 1328 . 1 1 147 147 PHE HB3 H 1 2.889 0.05 . 2 . . . . . . . . 5393 1 1329 . 1 1 147 147 PHE C C 13 175.795 0.1 . 1 . . . . . . . . 5393 1 1330 . 1 1 147 147 PHE CA C 13 61.557 0.1 . 1 . . . . . . . . 5393 1 1331 . 1 1 147 147 PHE CB C 13 37.423 0.3 . 1 . . . . . . . . 5393 1 1332 . 1 1 147 147 PHE N N 15 121.987 0.05 . 1 . . . . . . . . 5393 1 1333 . 1 1 148 148 LEU H H 1 7.235 0.02 . 1 . . . . . . . . 5393 1 1334 . 1 1 148 148 LEU HA H 1 3.201 0.05 . 1 . . . . . . . . 5393 1 1335 . 1 1 148 148 LEU HB2 H 1 0.761 0.05 . 2 . . . . . . . . 5393 1 1336 . 1 1 148 148 LEU HB3 H 1 1.516 0.05 . 2 . . . . . . . . 5393 1 1337 . 1 1 148 148 LEU HG H 1 0.931 0.05 . 1 . . . . . . . . 5393 1 1338 . 1 1 148 148 LEU HD11 H 1 -0.266 0.05 . 2 . . . . . . . . 5393 1 1339 . 1 1 148 148 LEU HD12 H 1 -0.266 0.05 . 2 . . . . . . . . 5393 1 1340 . 1 1 148 148 LEU HD13 H 1 -0.266 0.05 . 2 . . . . . . . . 5393 1 1341 . 1 1 148 148 LEU HD21 H 1 0.295 0.05 . 2 . . . . . . . . 5393 1 1342 . 1 1 148 148 LEU HD22 H 1 0.295 0.05 . 2 . . . . . . . . 5393 1 1343 . 1 1 148 148 LEU HD23 H 1 0.295 0.05 . 2 . . . . . . . . 5393 1 1344 . 1 1 148 148 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 5393 1 1345 . 1 1 148 148 LEU CA C 13 57.542 0.1 . 1 . . . . . . . . 5393 1 1346 . 1 1 148 148 LEU CB C 13 41.784 0.3 . 1 . . . . . . . . 5393 1 1347 . 1 1 148 148 LEU CD1 C 13 20.827 0.1 . 2 . . . . . . . . 5393 1 1348 . 1 1 148 148 LEU CD2 C 13 25.054 0.1 . 2 . . . . . . . . 5393 1 1349 . 1 1 148 148 LEU N N 15 118.175 0.05 . 1 . . . . . . . . 5393 1 1350 . 1 1 149 149 LYS H H 1 8.308 0.02 . 1 . . . . . . . . 5393 1 1351 . 1 1 149 149 LYS HA H 1 4.425 0.05 . 1 . . . . . . . . 5393 1 1352 . 1 1 149 149 LYS C C 13 178.880 0.1 . 1 . . . . . . . . 5393 1 1353 . 1 1 149 149 LYS CA C 13 60.441 0.1 . 1 . . . . . . . . 5393 1 1354 . 1 1 149 149 LYS CB C 13 32.438 0.3 . 1 . . . . . . . . 5393 1 1355 . 1 1 149 149 LYS N N 15 122.049 0.05 . 1 . . . . . . . . 5393 1 1356 . 1 1 150 150 ASP H H 1 8.286 0.02 . 1 . . . . . . . . 5393 1 1357 . 1 1 150 150 ASP HA H 1 4.556 0.05 . 1 . . . . . . . . 5393 1 1358 . 1 1 150 150 ASP HB2 H 1 2.624 0.05 . 2 . . . . . . . . 5393 1 1359 . 1 1 150 150 ASP HB3 H 1 1.989 0.05 . 2 . . . . . . . . 5393 1 1360 . 1 1 150 150 ASP C C 13 178.835 0.1 . 1 . . . . . . . . 5393 1 1361 . 1 1 150 150 ASP CA C 13 56.584 0.1 . 1 . . . . . . . . 5393 1 1362 . 1 1 150 150 ASP CB C 13 39.249 0.3 . 1 . . . . . . . . 5393 1 1363 . 1 1 150 150 ASP N N 15 122.986 0.05 . 1 . . . . . . . . 5393 1 1364 . 1 1 151 151 LEU H H 1 8.852 0.02 . 1 . . . . . . . . 5393 1 1365 . 1 1 151 151 LEU HA H 1 3.938 0.05 . 1 . . . . . . . . 5393 1 1366 . 1 1 151 151 LEU HG H 1 1.523 0.05 . 1 . . . . . . . . 5393 1 1367 . 1 1 151 151 LEU HD11 H 1 0.623 0.05 . 2 . . . . . . . . 5393 1 1368 . 1 1 151 151 LEU HD12 H 1 0.623 0.05 . 2 . . . . . . . . 5393 1 1369 . 1 1 151 151 LEU HD13 H 1 0.623 0.05 . 2 . . . . . . . . 5393 1 1370 . 1 1 151 151 LEU HD21 H 1 0.977 0.05 . 2 . . . . . . . . 5393 1 1371 . 1 1 151 151 LEU HD22 H 1 0.977 0.05 . 2 . . . . . . . . 5393 1 1372 . 1 1 151 151 LEU HD23 H 1 0.977 0.05 . 2 . . . . . . . . 5393 1 1373 . 1 1 151 151 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 5393 1 1374 . 1 1 151 151 LEU CA C 13 57.441 0.1 . 1 . . . . . . . . 5393 1 1375 . 1 1 151 151 LEU CB C 13 40.205 0.3 . 1 . . . . . . . . 5393 1 1376 . 1 1 151 151 LEU CD1 C 13 25.753 0.1 . 2 . . . . . . . . 5393 1 1377 . 1 1 151 151 LEU N N 15 126.639 0.05 . 1 . . . . . . . . 5393 1 1378 . 1 1 152 152 GLU H H 1 7.51 0.02 . 1 . . . . . . . . 5393 1 1379 . 1 1 152 152 GLU HA H 1 3.610 0.05 . 1 . . . . . . . . 5393 1 1380 . 1 1 152 152 GLU HB2 H 1 1.902 0.05 . 2 . . . . . . . . 5393 1 1381 . 1 1 152 152 GLU HB3 H 1 2.105 0.05 . 2 . . . . . . . . 5393 1 1382 . 1 1 152 152 GLU HG2 H 1 2.309 0.05 . 2 . . . . . . . . 5393 1 1383 . 1 1 152 152 GLU C C 13 177.425 0.1 . 1 . . . . . . . . 5393 1 1384 . 1 1 152 152 GLU CA C 13 60.348 0.1 . 1 . . . . . . . . 5393 1 1385 . 1 1 152 152 GLU CB C 13 29.440 0.3 . 1 . . . . . . . . 5393 1 1386 . 1 1 152 152 GLU N N 15 121.179 0.05 . 1 . . . . . . . . 5393 1 1387 . 1 1 153 153 LYS H H 1 7.238 0.02 . 1 . . . . . . . . 5393 1 1388 . 1 1 153 153 LYS HA H 1 3.896 0.05 . 1 . . . . . . . . 5393 1 1389 . 1 1 153 153 LYS HB2 H 1 1.656 0.05 . 2 . . . . . . . . 5393 1 1390 . 1 1 153 153 LYS HB3 H 1 1.988 0.05 . 2 . . . . . . . . 5393 1 1391 . 1 1 153 153 LYS HG2 H 1 1.429 0.05 . 2 . . . . . . . . 5393 1 1392 . 1 1 153 153 LYS HD2 H 1 1.669 0.05 . 2 . . . . . . . . 5393 1 1393 . 1 1 153 153 LYS C C 13 177.939 0.1 . 1 . . . . . . . . 5393 1 1394 . 1 1 153 153 LYS CA C 13 60.212 0.1 . 1 . . . . . . . . 5393 1 1395 . 1 1 153 153 LYS CB C 13 32.470 0.3 . 1 . . . . . . . . 5393 1 1396 . 1 1 153 153 LYS N N 15 119.686 0.05 . 1 . . . . . . . . 5393 1 1397 . 1 1 154 154 TYR H H 1 8.322 0.02 . 1 . . . . . . . . 5393 1 1398 . 1 1 154 154 TYR HA H 1 4.420 0.05 . 1 . . . . . . . . 5393 1 1399 . 1 1 154 154 TYR HB3 H 1 3.432 0.05 . 2 . . . . . . . . 5393 1 1400 . 1 1 154 154 TYR C C 13 176.936 0.1 . 1 . . . . . . . . 5393 1 1401 . 1 1 154 154 TYR CA C 13 61.271 0.1 . 1 . . . . . . . . 5393 1 1402 . 1 1 154 154 TYR CB C 13 38.357 0.3 . 1 . . . . . . . . 5393 1 1403 . 1 1 154 154 TYR N N 15 124.041 0.05 . 1 . . . . . . . . 5393 1 1404 . 1 1 155 155 ILE H H 1 8.475 0.02 . 1 . . . . . . . . 5393 1 1405 . 1 1 155 155 ILE HA H 1 2.984 0.05 . 1 . . . . . . . . 5393 1 1406 . 1 1 155 155 ILE HB H 1 1.561 0.05 . 1 . . . . . . . . 5393 1 1407 . 1 1 155 155 ILE HG12 H 1 -0.804 0.05 . 2 . . . . . . . . 5393 1 1408 . 1 1 155 155 ILE HG13 H 1 1.253 0.05 . 2 . . . . . . . . 5393 1 1409 . 1 1 155 155 ILE HG21 H 1 0.577 0.05 . 1 . . . . . . . . 5393 1 1410 . 1 1 155 155 ILE HG22 H 1 0.577 0.05 . 1 . . . . . . . . 5393 1 1411 . 1 1 155 155 ILE HG23 H 1 0.577 0.05 . 1 . . . . . . . . 5393 1 1412 . 1 1 155 155 ILE HD11 H 1 -0.108 0.05 . 1 . . . . . . . . 5393 1 1413 . 1 1 155 155 ILE HD12 H 1 -0.108 0.05 . 1 . . . . . . . . 5393 1 1414 . 1 1 155 155 ILE HD13 H 1 -0.108 0.05 . 1 . . . . . . . . 5393 1 1415 . 1 1 155 155 ILE C C 13 177.556 0.1 . 1 . . . . . . . . 5393 1 1416 . 1 1 155 155 ILE CA C 13 65.533 0.1 . 1 . . . . . . . . 5393 1 1417 . 1 1 155 155 ILE CB C 13 38.615 0.3 . 1 . . . . . . . . 5393 1 1418 . 1 1 155 155 ILE CG1 C 13 28.933 0.1 . 2 . . . . . . . . 5393 1 1419 . 1 1 155 155 ILE CG2 C 13 17.846 0.1 . 2 . . . . . . . . 5393 1 1420 . 1 1 155 155 ILE CD1 C 13 16.767 0.1 . 1 . . . . . . . . 5393 1 1421 . 1 1 155 155 ILE N N 15 123.426 0.05 . 1 . . . . . . . . 5393 1 1422 . 1 1 156 156 LYS H H 1 7.979 0.02 . 1 . . . . . . . . 5393 1 1423 . 1 1 156 156 LYS HA H 1 3.843 0.05 . 1 . . . . . . . . 5393 1 1424 . 1 1 156 156 LYS HB2 H 1 1.920 0.05 . 2 . . . . . . . . 5393 1 1425 . 1 1 156 156 LYS HG2 H 1 1.471 0.05 . 2 . . . . . . . . 5393 1 1426 . 1 1 156 156 LYS HD2 H 1 1.662 0.05 . 2 . . . . . . . . 5393 1 1427 . 1 1 156 156 LYS C C 13 177.964 0.1 . 1 . . . . . . . . 5393 1 1428 . 1 1 156 156 LYS CA C 13 60.050 0.1 . 1 . . . . . . . . 5393 1 1429 . 1 1 156 156 LYS CB C 13 31.782 0.3 . 1 . . . . . . . . 5393 1 1430 . 1 1 156 156 LYS N N 15 118.659 0.05 . 1 . . . . . . . . 5393 1 1431 . 1 1 157 157 GLN H H 1 7.666 0.02 . 1 . . . . . . . . 5393 1 1432 . 1 1 157 157 GLN HA H 1 3.971 0.05 . 1 . . . . . . . . 5393 1 1433 . 1 1 157 157 GLN C C 13 176.987 0.1 . 1 . . . . . . . . 5393 1 1434 . 1 1 157 157 GLN CA C 13 58.162 0.1 . 1 . . . . . . . . 5393 1 1435 . 1 1 157 157 GLN CB C 13 28.946 0.3 . 1 . . . . . . . . 5393 1 1436 . 1 1 157 157 GLN N N 15 119.245 0.05 . 1 . . . . . . . . 5393 1 1437 . 1 1 158 158 TYR H H 1 7.940 0.02 . 1 . . . . . . . . 5393 1 1438 . 1 1 158 158 TYR HA H 1 4.233 0.05 . 1 . . . . . . . . 5393 1 1439 . 1 1 158 158 TYR HB2 H 1 2.318 0.05 . 2 . . . . . . . . 5393 1 1440 . 1 1 158 158 TYR HB3 H 1 1.716 0.05 . 2 . . . . . . . . 5393 1 1441 . 1 1 158 158 TYR C C 13 175.640 0.1 . 1 . . . . . . . . 5393 1 1442 . 1 1 158 158 TYR CA C 13 60.130 0.1 . 1 . . . . . . . . 5393 1 1443 . 1 1 158 158 TYR CB C 13 39.990 0.3 . 1 . . . . . . . . 5393 1 1444 . 1 1 158 158 TYR N N 15 115.134 0.05 . 1 . . . . . . . . 5393 1 1445 . 1 1 159 159 HIS H H 1 8.534 0.02 . 1 . . . . . . . . 5393 1 1446 . 1 1 159 159 HIS HA H 1 4.985 0.05 . 1 . . . . . . . . 5393 1 1447 . 1 1 159 159 HIS HB2 H 1 3.507 0.05 . 2 . . . . . . . . 5393 1 1448 . 1 1 159 159 HIS HB3 H 1 2.570 0.05 . 2 . . . . . . . . 5393 1 1449 . 1 1 159 159 HIS C C 13 176.615 0.1 . 1 . . . . . . . . 5393 1 1450 . 1 1 159 159 HIS CA C 13 54.178 0.1 . 1 . . . . . . . . 5393 1 1451 . 1 1 159 159 HIS CB C 13 32.943 0.3 . 1 . . . . . . . . 5393 1 1452 . 1 1 159 159 HIS N N 15 121.458 0.05 . 1 . . . . . . . . 5393 1 1453 . 1 1 160 160 THR H H 1 7.284 0.02 . 1 . . . . . . . . 5393 1 1454 . 1 1 160 160 THR HA H 1 3.694 0.05 . 1 . . . . . . . . 5393 1 1455 . 1 1 160 160 THR HB H 1 4.036 0.05 . 1 . . . . . . . . 5393 1 1456 . 1 1 160 160 THR HG21 H 1 1.446 0.05 . 1 . . . . . . . . 5393 1 1457 . 1 1 160 160 THR HG22 H 1 1.446 0.05 . 1 . . . . . . . . 5393 1 1458 . 1 1 160 160 THR HG23 H 1 1.446 0.05 . 1 . . . . . . . . 5393 1 1459 . 1 1 160 160 THR C C 13 176.155 0.1 . 1 . . . . . . . . 5393 1 1460 . 1 1 160 160 THR CA C 13 68.492 0.1 . 1 . . . . . . . . 5393 1 1461 . 1 1 160 160 THR CB C 13 70.114 0.3 . 1 . . . . . . . . 5393 1 1462 . 1 1 160 160 THR N N 15 113.903 0.05 . 1 . . . . . . . . 5393 1 1463 . 1 1 161 161 THR H H 1 8.161 0.02 . 1 . . . . . . . . 5393 1 1464 . 1 1 161 161 THR HA H 1 5.278 0.05 . 1 . . . . . . . . 5393 1 1465 . 1 1 161 161 THR HB H 1 4.863 0.05 . 1 . . . . . . . . 5393 1 1466 . 1 1 161 161 THR HG21 H 1 1.330 0.05 . 1 . . . . . . . . 5393 1 1467 . 1 1 161 161 THR HG22 H 1 1.330 0.05 . 1 . . . . . . . . 5393 1 1468 . 1 1 161 161 THR HG23 H 1 1.330 0.05 . 1 . . . . . . . . 5393 1 1469 . 1 1 161 161 THR C C 13 174.601 0.1 . 1 . . . . . . . . 5393 1 1470 . 1 1 161 161 THR CA C 13 60.122 0.1 . 1 . . . . . . . . 5393 1 1471 . 1 1 161 161 THR CB C 13 68.524 0.3 . 1 . . . . . . . . 5393 1 1472 . 1 1 161 161 THR CG2 C 13 21.904 0.1 . 1 . . . . . . . . 5393 1 1473 . 1 1 161 161 THR N N 15 107.226 0.05 . 1 . . . . . . . . 5393 1 1474 . 1 1 162 162 GLY H H 1 7.674 0.02 . 1 . . . . . . . . 5393 1 1475 . 1 1 162 162 GLY HA2 H 1 4.703 0.05 . 2 . . . . . . . . 5393 1 1476 . 1 1 162 162 GLY HA3 H 1 3.945 0.05 . 2 . . . . . . . . 5393 1 1477 . 1 1 162 162 GLY C C 13 173.474 0.1 . 1 . . . . . . . . 5393 1 1478 . 1 1 162 162 GLY CA C 13 43.994 0.1 . 1 . . . . . . . . 5393 1 1479 . 1 1 162 162 GLY N N 15 111.699 0.05 . 1 . . . . . . . . 5393 1 1480 . 1 1 163 163 LEU H H 1 8.894 0.02 . 1 . . . . . . . . 5393 1 1481 . 1 1 163 163 LEU HA H 1 4.245 0.05 . 1 . . . . . . . . 5393 1 1482 . 1 1 163 163 LEU HB2 H 1 1.898 0.05 . 2 . . . . . . . . 5393 1 1483 . 1 1 163 163 LEU HB3 H 1 1.117 0.05 . 2 . . . . . . . . 5393 1 1484 . 1 1 163 163 LEU HG H 1 0.671 0.05 . 1 . . . . . . . . 5393 1 1485 . 1 1 163 163 LEU HD11 H 1 0.347 0.05 . 2 . . . . . . . . 5393 1 1486 . 1 1 163 163 LEU HD12 H 1 0.347 0.05 . 2 . . . . . . . . 5393 1 1487 . 1 1 163 163 LEU HD13 H 1 0.347 0.05 . 2 . . . . . . . . 5393 1 1488 . 1 1 163 163 LEU HD21 H 1 0.322 0.05 . 2 . . . . . . . . 5393 1 1489 . 1 1 163 163 LEU HD22 H 1 0.322 0.05 . 2 . . . . . . . . 5393 1 1490 . 1 1 163 163 LEU HD23 H 1 0.322 0.05 . 2 . . . . . . . . 5393 1 1491 . 1 1 163 163 LEU C C 13 176.467 0.1 . 1 . . . . . . . . 5393 1 1492 . 1 1 163 163 LEU CA C 13 56.194 0.1 . 1 . . . . . . . . 5393 1 1493 . 1 1 163 163 LEU CB C 13 42.354 0.3 . 1 . . . . . . . . 5393 1 1494 . 1 1 163 163 LEU CD1 C 13 24.520 0.3 . 1 . . . . . . . . 5393 1 1495 . 1 1 163 163 LEU N N 15 124.062 0.05 . 1 . . . . . . . . 5393 1 1496 . 1 1 164 164 THR H H 1 10.375 0.02 . 1 . . . . . . . . 5393 1 1497 . 1 1 164 164 THR HA H 1 4.164 0.05 . 1 . . . . . . . . 5393 1 1498 . 1 1 164 164 THR HB H 1 4.298 0.05 . 1 . . . . . . . . 5393 1 1499 . 1 1 164 164 THR HG21 H 1 1.400 0.05 . 1 . . . . . . . . 5393 1 1500 . 1 1 164 164 THR HG22 H 1 1.400 0.05 . 1 . . . . . . . . 5393 1 1501 . 1 1 164 164 THR HG23 H 1 1.400 0.05 . 1 . . . . . . . . 5393 1 1502 . 1 1 164 164 THR C C 13 174.340 0.1 . 1 . . . . . . . . 5393 1 1503 . 1 1 164 164 THR CA C 13 64.671 0.1 . 1 . . . . . . . . 5393 1 1504 . 1 1 164 164 THR CB C 13 69.212 0.3 . 1 . . . . . . . . 5393 1 1505 . 1 1 164 164 THR N N 15 129.322 0.05 . 1 . . . . . . . . 5393 1 1506 . 1 1 165 165 TRP H H 1 8.158 0.02 . 1 . . . . . . . . 5393 1 1507 . 1 1 165 165 TRP HA H 1 5.125 0.05 . 1 . . . . . . . . 5393 1 1508 . 1 1 165 165 TRP HB2 H 1 3.719 0.05 . 2 . . . . . . . . 5393 1 1509 . 1 1 165 165 TRP HB3 H 1 2.938 0.05 . 2 . . . . . . . . 5393 1 1510 . 1 1 165 165 TRP HE1 H 1 10.360 0.05 . 1 . . . . . . . . 5393 1 1511 . 1 1 165 165 TRP C C 13 175.853 0.1 . 1 . . . . . . . . 5393 1 1512 . 1 1 165 165 TRP CA C 13 56.780 0.1 . 1 . . . . . . . . 5393 1 1513 . 1 1 165 165 TRP CB C 13 29.677 0.3 . 1 . . . . . . . . 5393 1 1514 . 1 1 165 165 TRP N N 15 130.840 0.05 . 1 . . . . . . . . 5393 1 1515 . 1 1 165 165 TRP NE1 N 15 130.786 0.05 . 1 . . . . . . . . 5393 1 1516 . 1 1 166 166 ASN H H 1 8.777 0.02 . 1 . . . . . . . . 5393 1 1517 . 1 1 166 166 ASN HA H 1 5.245 0.05 . 1 . . . . . . . . 5393 1 1518 . 1 1 166 166 ASN HB2 H 1 2.874 0.05 . 2 . . . . . . . . 5393 1 1519 . 1 1 166 166 ASN HB3 H 1 2.710 0.05 . 2 . . . . . . . . 5393 1 1520 . 1 1 166 166 ASN CA C 13 49.653 0.1 . 1 . . . . . . . . 5393 1 1521 . 1 1 166 166 ASN CB C 13 39.403 0.1 . 1 . . . . . . . . 5393 1 1522 . 1 1 166 166 ASN N N 15 121.099 0.05 . 1 . . . . . . . . 5393 1 1523 . 1 1 167 167 PRO HA H 1 5.242 0.05 . 1 . . . . . . . . 5393 1 1524 . 1 1 167 167 PRO HB2 H 1 2.357 0.05 . 2 . . . . . . . . 5393 1 1525 . 1 1 167 167 PRO HB3 H 1 2.570 0.05 . 2 . . . . . . . . 5393 1 1526 . 1 1 167 167 PRO HG3 H 1 2.198 0.05 . 2 . . . . . . . . 5393 1 1527 . 1 1 167 167 PRO C C 13 177.480 0.1 . 1 . . . . . . . . 5393 1 1528 . 1 1 167 167 PRO CA C 13 64.399 0.1 . 1 . . . . . . . . 5393 1 1529 . 1 1 167 167 PRO CB C 13 32.298 0.3 . 1 . . . . . . . . 5393 1 1530 . 1 1 168 168 LYS H H 1 7.716 0.02 . 1 . . . . . . . . 5393 1 1531 . 1 1 168 168 LYS HA H 1 4.555 0.05 . 1 . . . . . . . . 5393 1 1532 . 1 1 168 168 LYS HB2 H 1 2.149 0.05 . 2 . . . . . . . . 5393 1 1533 . 1 1 168 168 LYS HB3 H 1 1.753 0.05 . 2 . . . . . . . . 5393 1 1534 . 1 1 168 168 LYS HG2 H 1 1.459 0.05 . 2 . . . . . . . . 5393 1 1535 . 1 1 168 168 LYS C C 13 176.938 0.1 . 1 . . . . . . . . 5393 1 1536 . 1 1 168 168 LYS CA C 13 55.176 0.1 . 1 . . . . . . . . 5393 1 1537 . 1 1 168 168 LYS CB C 13 31.847 0.3 . 1 . . . . . . . . 5393 1 1538 . 1 1 168 168 LYS N N 15 117.196 0.05 . 1 . . . . . . . . 5393 1 1539 . 1 1 169 169 GLY H H 1 7.976 0.02 . 1 . . . . . . . . 5393 1 1540 . 1 1 169 169 GLY HA2 H 1 3.573 0.05 . 2 . . . . . . . . 5393 1 1541 . 1 1 169 169 GLY HA3 H 1 4.253 0.05 . 2 . . . . . . . . 5393 1 1542 . 1 1 169 169 GLY C C 13 173.879 0.1 . 1 . . . . . . . . 5393 1 1543 . 1 1 169 169 GLY CA C 13 44.400 0.1 . 1 . . . . . . . . 5393 1 1544 . 1 1 169 169 GLY N N 15 109.825 0.05 . 1 . . . . . . . . 5393 1 1545 . 1 1 170 170 GLY H H 1 7.984 0.02 . 1 . . . . . . . . 5393 1 1546 . 1 1 170 170 GLY HA2 H 1 3.887 0.05 . 2 . . . . . . . . 5393 1 1547 . 1 1 170 170 GLY HA3 H 1 4.514 0.05 . 2 . . . . . . . . 5393 1 1548 . 1 1 170 170 GLY C C 13 173.963 0.1 . 1 . . . . . . . . 5393 1 1549 . 1 1 170 170 GLY CA C 13 44.314 0.1 . 1 . . . . . . . . 5393 1 1550 . 1 1 170 170 GLY N N 15 106.896 0.05 . 1 . . . . . . . . 5393 1 1551 . 1 1 171 171 ASP H H 1 8.343 0.02 . 1 . . . . . . . . 5393 1 1552 . 1 1 171 171 ASP HA H 1 4.806 0.05 . 1 . . . . . . . . 5393 1 1553 . 1 1 171 171 ASP HB2 H 1 2.739 0.05 . 2 . . . . . . . . 5393 1 1554 . 1 1 171 171 ASP HB3 H 1 2.569 0.05 . 2 . . . . . . . . 5393 1 1555 . 1 1 171 171 ASP C C 13 177.287 0.1 . 1 . . . . . . . . 5393 1 1556 . 1 1 171 171 ASP CA C 13 54.040 0.1 . 1 . . . . . . . . 5393 1 1557 . 1 1 171 171 ASP CB C 13 41.902 0.3 . 1 . . . . . . . . 5393 1 1558 . 1 1 171 171 ASP N N 15 120.195 0.05 . 1 . . . . . . . . 5393 1 1559 . 1 1 172 172 ALA H H 1 9.461 0.02 . 1 . . . . . . . . 5393 1 1560 . 1 1 172 172 ALA HA H 1 4.372 0.05 . 1 . . . . . . . . 5393 1 1561 . 1 1 172 172 ALA HB1 H 1 1.468 0.05 . 1 . . . . . . . . 5393 1 1562 . 1 1 172 172 ALA HB2 H 1 1.468 0.05 . 1 . . . . . . . . 5393 1 1563 . 1 1 172 172 ALA HB3 H 1 1.468 0.05 . 1 . . . . . . . . 5393 1 1564 . 1 1 172 172 ALA C C 13 177.346 0.1 . 1 . . . . . . . . 5393 1 1565 . 1 1 172 172 ALA CA C 13 53.495 0.1 . 1 . . . . . . . . 5393 1 1566 . 1 1 172 172 ALA CB C 13 18.869 0.3 . 1 . . . . . . . . 5393 1 1567 . 1 1 172 172 ALA N N 15 130.180 0.05 . 1 . . . . . . . . 5393 1 1568 . 1 1 173 173 LYS H H 1 8.273 0.02 . 1 . . . . . . . . 5393 1 1569 . 1 1 173 173 LYS HA H 1 4.324 0.05 . 1 . . . . . . . . 5393 1 1570 . 1 1 173 173 LYS HB2 H 1 1.785 0.05 . 2 . . . . . . . . 5393 1 1571 . 1 1 173 173 LYS HB3 H 1 1.922 0.05 . 2 . . . . . . . . 5393 1 1572 . 1 1 173 173 LYS HG2 H 1 0.936 0.05 . 2 . . . . . . . . 5393 1 1573 . 1 1 173 173 LYS HG3 H 1 1.164 0.05 . 2 . . . . . . . . 5393 1 1574 . 1 1 173 173 LYS C C 13 180.379 0.1 . 1 . . . . . . . . 5393 1 1575 . 1 1 173 173 LYS CA C 13 56.451 0.1 . 1 . . . . . . . . 5393 1 1576 . 1 1 173 173 LYS CB C 13 33.157 0.3 . 1 . . . . . . . . 5393 1 1577 . 1 1 173 173 LYS N N 15 118.737 0.05 . 1 . . . . . . . . 5393 1 1578 . 1 1 174 174 SER H H 1 8.173 0.02 . 1 . . . . . . . . 5393 1 1579 . 1 1 174 174 SER HA H 1 4.469 0.05 . 1 . . . . . . . . 5393 1 1580 . 1 1 174 174 SER HB2 H 1 4.328 0.05 . 2 . . . . . . . . 5393 1 1581 . 1 1 174 174 SER HB3 H 1 3.952 0.05 . 2 . . . . . . . . 5393 1 1582 . 1 1 174 174 SER C C 13 174.517 0.1 . 1 . . . . . . . . 5393 1 1583 . 1 1 174 174 SER CA C 13 58.338 0.1 . 1 . . . . . . . . 5393 1 1584 . 1 1 174 174 SER CB C 13 63.776 0.3 . 1 . . . . . . . . 5393 1 1585 . 1 1 174 174 SER N N 15 117.133 0.05 . 1 . . . . . . . . 5393 1 1586 . 1 1 175 175 ALA H H 1 8.072 0.02 . 1 . . . . . . . . 5393 1 1587 . 1 1 175 175 ALA HA H 1 4.451 0.05 . 1 . . . . . . . . 5393 1 1588 . 1 1 175 175 ALA HB1 H 1 1.485 0.05 . 1 . . . . . . . . 5393 1 1589 . 1 1 175 175 ALA HB2 H 1 1.485 0.05 . 1 . . . . . . . . 5393 1 1590 . 1 1 175 175 ALA HB3 H 1 1.485 0.05 . 1 . . . . . . . . 5393 1 1591 . 1 1 175 175 ALA C C 13 176.862 0.1 . 1 . . . . . . . . 5393 1 1592 . 1 1 175 175 ALA CA C 13 52.623 0.1 . 1 . . . . . . . . 5393 1 1593 . 1 1 175 175 ALA CB C 13 19.385 0.3 . 1 . . . . . . . . 5393 1 1594 . 1 1 175 175 ALA N N 15 127.342 0.05 . 1 . . . . . . . . 5393 1 1595 . 1 1 176 176 THR H H 1 7.765 0.02 . 1 . . . . . . . . 5393 1 1596 . 1 1 176 176 THR HA H 1 4.196 0.05 . 1 . . . . . . . . 5393 1 1597 . 1 1 176 176 THR HG21 H 1 1.212 0.05 . 1 . . . . . . . . 5393 1 1598 . 1 1 176 176 THR HG22 H 1 1.212 0.05 . 1 . . . . . . . . 5393 1 1599 . 1 1 176 176 THR HG23 H 1 1.212 0.05 . 1 . . . . . . . . 5393 1 1600 . 1 1 176 176 THR CA C 13 63.099 0.1 . 1 . . . . . . . . 5393 1 1601 . 1 1 176 176 THR N N 15 119.501 0.05 . 1 . . . . . . . . 5393 1 stop_ save_